A0A5K4FC79_SCHMA Loading...

SH3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,112 aa.

						>A0A5K4FC79_SCHMA|A0A5K4FC79
MPKQKSGIKNESFEMGEMENGSHSHSDHSAKRATRRKINKKKPGSPKARFCERSIEANQGNGSQDGILEIIIYRTDRLKVGPSTRHLFVRIHIMDTEREDYIKCDEKISGPVEEHSAYVLPVKTKLVNTKYQDLLMPVWDEIIIINESFRTFASNKNVILFFEILDSTENIFGRCNNENVKTSCGRNIGSLMTAWAFLLLTNSNGQLNAGPRKQRLQLYEPIIKTSTYPLEKLGNLPVGKMSSLSVLQKHQLLTNASPNLSEYNAVESGYHLLSCWKSGSRYRVPYPSSLYVTIKETVRKTSLEKHSGDKMDSNQNISSQTKQSEIFVQPNINLGESALRNILLENENSALIAMSGNELNELQKSWTRKSHQPCRIPNILVGYGITTCIKTDDNFEFSLDMGTNKKYCASTKSSGAQCLAFSPDGKWLAVGVIRNKLLDNTTGTPTKSKTNKMDCSVLIYKFPFDNKRSQPNLELAGHSDIIYSVDWAKTPVIQNHNNKSTQKRSSKDFSSTKIFWILASGSADGTVRVWRLHFNQVYENFTNDDNFLSDPDTNIPVPSDASKSQFQVGQIINGLSHKKGILCNVLGHPNFVYSVAFKPLSKELALNDFQVLQTLVNQDHLLATACYDRVVRLWSIKHNETQLLQELNGVHQSHINSLTFDTDGSRIYSGDALGLIVIWKETNNEQRKQVKCQSKWIFEKKIEVRELEMCIINHLEFHPTLNLLLVHTRDNCPKMLDLRSNFITTRFHGALNNTELLRSCISPCGSFLFSGSEDQNVYVWNVNTGDKVACYQNLQLPGSVTSISYHPMDNVIAFAAVGPDSPIAIYAYNIKANQLTTLSQNINEEKLPVYEEELNNIEQPPDILASHVKFKQRDTERVLLAMSKLESVLNVSKPLARYPQNNLHELEWRPTFTVIDEVSDQQSTVDKLDSVKNAAIRTQTSDSTTNIFTALYDYQAQRSDELNFKRGDKLKILYKDTPRWWMAKLVTTGQQGFAPANYISEDIHGEDNDNSQQLASTNKPNPSNLSETHLKHLNLSEEQILNKVNDKSGSVKNNNLRLLDSGSIDDNINNSENPQTRQSNMGLSNIDIKPITLNSGSMKKRKSSARPLPTLN
					

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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	31.2	Very low	31.6	Very low	241 Å²	241	160.5 Å²	160.5	100%	1.187	83%	0.83	S	S	*	*				0	169.3	0	-66.8	-174.4	178.5	0	0	108.5
2	P	34.9	Very low	31.3	Very low	112 Å²	112	156.7 Å²	156.7	73%	0.727	83%	0.827	S	S	*	*				-81.5	-177	-59.1	36.2	-28.5	0	0	0	109.9
3	K	32.7	Very low	31.2	Very low	198 Å²	198	159.2 Å²	159.2	86%	0.861	83%	0.828	S	S	*	*			cis	-165	141.2	-27.9	-91	163.7	-174.5	174.4	0	100.8
4	Q	37.4	Very low	31.2	Very low	181 Å²	181	161.6 Å²	161.6	85%	0.846	83%	0.833	S	S	*	*			cis	-154.6	131.5	46.3	-66.3	172.1	-20.5	0	0	106.9
5	K	32.8	Very low	31.1	Very low	213 Å²	213	161.8 Å²	161.8	93%	0.926	83%	0.832	S	S	*	*				75.9	135.8	77.9	-84.2	-161.6	171	-168.8	0	116
6	S	27.7	Very low	31.2	Very low	116 Å²	116	155.7 Å²	155.7	81%	0.811	82%	0.821	S	S	*	*			trans	-144.6	169.5	-168.7	54.9	0	0	0	0	112.6
7	G	32.5	Very low	31.3	Very low	68 Å²	68	156.1 Å²	156.1	70%	0.701	82%	0.817	S	S	*	*			trans	161.5	116.6	176.6	0	0	0	0	0	108.3
8	I	31.2	Very low	31.4	Very low	146 Å²	146	155.8 Å²	155.8	75%	0.749	81%	0.813	S	S	*	*			cis	81.2	128.5	27.9	-42.1	169.6	0	0	0	113.7
9	K	31	Very low	31.5	Very low	187 Å²	187	155.1 Å²	155.1	81%	0.813	81%	0.805	S	S	*	*			trans	89.2	156.6	172.4	-56.9	-171.1	-174	178.1	0	116.4
10	N	26.5	Very low	31.6	Very low	134 Å²	134	154.7 Å²	154.7	72%	0.717	80%	0.804	S	S	*	*			cis	169.4	163.4	-38.4	-114.8	30.4	0	0	0	107.3
11	E	29.6	Very low	31.7	Very low	170 Å²	170	150.9 Å²	150.9	79%	0.794	80%	0.803	S	S	*	*			trans	67.2	154.7	164.8	-66.9	146.2	-127.3	0	0	116.1
12	S	27.8	Very low	31.9	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	78%	0.781	S	S	*	*			cis	-163.3	172.3	-36.9	48.3	0	0	0	0	110.6
13	F	30.8	Very low	32	Very low	190 Å²	190	147.4 Å²	147.4	83%	0.833	79%	0.785	S	S	*	*			trans	-66.3	154.1	-179.2	-95.3	-105.4	0	0	0	115.9
14	E	30.2	Very low	32.1	Very low	192 Å²	192	142.1 Å²	142.1	90%	0.897	77%	0.773	S	S	*	*			trans	-160.6	-176.6	131.5	-114.4	163.2	-159.5	0	0	112.3
15	M	30.5	Very low	32.1	Very low	165 Å²	165	142 Å²	142	81%	0.813	77%	0.772	S	S	*	*			trans	-144.8	160.1	-149.5	-92.3	-80.7	-64.4	0	0	117.2
16	G	32.9	Very low	32.1	Very low	64 Å²	64	136.5 Å²	136.5	66%	0.66	76%	0.761	S	S	*	*			trans	113.8	163.2	153.4	0	0	0	0	0	118
17	E	32.2	Very low	32.4	Very low	162 Å²	162	137.7 Å²	137.7	76%	0.757	76%	0.758	S	S	*	*			cis	-170.4	175	-28.1	-150.4	165.9	-120.7	0	0	111.2
18	M	33	Very low	32.6	Very low	152 Å²	152	142.4 Å²	142.4	75%	0.749	76%	0.761	S	S	*	*			trans	74.9	150.8	164	-60.8	176	-175.4	0	0	119.1
19	E	33.3	Very low	32.8	Very low	142 Å²	142	140.2 Å²	140.2	66%	0.664	76%	0.759	S	S	*	*			cis	-164	161.3	-7.8	-122.2	-176.7	-152.3	0	0	115.1
20	N	33.8	Very low	33	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	75%	0.754	S	S	*	*			trans	59.6	148.8	156.9	-52.8	-34.7	0	0	0	121.4
21	G	34.5	Very low	33.4	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	76%	0.758	S	S	*	*			cis	172.3	179.7	-1.3	0	0	0	0	0	109.4
22	S	34.3	Very low	33.5	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	76%	0.764	S	S	*	*			cis	-173.4	165.7	-13.6	60.5	0	0	0	0	112.5
23	H	36.9	Very low	33.8	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.815	76%	0.756	S	S	*	*			trans	67.1	147.7	161.6	-63.8	-58.9	0	0	0	123.2
24	S	34.8	Very low	34	Very low	88 Å²	88	136.8 Å²	136.8	62%	0.615	76%	0.755	S	S	*	*			cis	-173.6	157.7	-14.4	56.2	0	0	0	0	117
25	H	37	Very low	34.1	Very low	177 Å²	177	136.5 Å²	136.5	82%	0.819	75%	0.746	S	S	*	*			trans	77.2	178	159	-72.3	-70.5	0	0	0	121.9
26	S	34.6	Very low	34.2	Very low	99 Å²	99	138 Å²	138	69%	0.692	74%	0.743	S	S	*	*				174.1	156.8	-78.7	57.9	0	0	0	0	112
27	D	32.9	Very low	34.2	Very low	141 Å²	141	143.6 Å²	143.6	75%	0.754	75%	0.749	S	S	*	*			cis	-172.1	-165	-19.2	-170.6	-105.8	0	0	0	110.1
28	H	37.6	Very low	34.4	Very low	166 Å²	166	141.4 Å²	141.4	77%	0.769	74%	0.741	S	S	*	*			trans	82.8	150.7	162.4	-65.5	4.4	0	0	0	122.1
29	S	35.1	Very low	34.2	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	74%	0.739	S	S	*	*			cis	-170.6	154.7	-27.9	70.8	0	0	0	0	115.7
30	A	34.6	Very low	34.2	Very low	84 Å²	84	142.8 Å²	142.8	69%	0.694	75%	0.747	S	S	*	*			trans	57.1	160.2	142.6	0	0	0	0	0	124.6
31	K	34.6	Very low	34	Very low	187 Å²	187	145.1 Å²	145.1	81%	0.813	75%	0.75	S	S	*	*			cis	-171.2	152	-16.6	-103.6	167.1	-172.6	161.1	0	114.2
32	R	32.1	Very low	33.8	Very low	242 Å²	242	151.1 Å²	151.1	91%	0.913	76%	0.755	S	S	*	*			trans	67.5	168.5	150.5	-74.3	178.8	169.8	173.7	-3.6	122.2
33	A	34	Very low	33.6	Very low	76 Å²	76	152.6 Å²	152.6	63%	0.628	76%	0.762	S	S	*	*			cis	177.7	165.6	-47.2	0	0	0	0	0	115.1
34	T	35.7	Very low	33.2	Very low	134 Å²	134	147.5 Å²	147.5	82%	0.822	76%	0.757	S	S	*	*			trans	86	154.1	160.4	80.1	0	0	0	0	119.9
35	R	32.1	Very low	32.9	Very low	186 Å²	186	149 Å²	149	70%	0.702	77%	0.768	S	S	*	*			cis	-168.1	142.6	-16.4	-116.3	-177.3	169.7	179.3	1	114.2
36	R	32.3	Very low	32.6	Very low	197 Å²	197	145.9 Å²	145.9	74%	0.743	76%	0.763	S	S	*	*			trans	65.4	157.4	151.6	-65.2	171.4	172	177.1	-5.6	117.1
37	K	33	Very low	32.2	Very low	181 Å²	181	151 Å²	151	79%	0.787	77%	0.773	S	S	*	*			cis	-162.8	176.8	3.9	-128.9	-173.5	172.8	-172.7	0	107.2
38	I	36.4	Very low	31.9	Very low	116 Å²	116	148.7 Å²	148.7	60%	0.595	77%	0.774	S	S	*	*			cis	-162.3	168.9	-4.7	-152.6	179.2	0	0	0	111.3
39	N	29.3	Very low	31.3	Very low	132 Å²	132	152 Å²	152	71%	0.706	78%	0.779	S	S	*	*			trans	0.2	142.5	162.2	-51.8	-11.8	0	0	0	122
40	K	32.3	Very low	30.8	Very low	190 Å²	190	154.6 Å²	154.6	83%	0.826	78%	0.778	S	S	*	*				-163	146.1	55.4	-81.3	177.1	176.5	166.2	0	116.3
41	K	29.4	Very low	30.4	Very low	196 Å²	196	155.6 Å²	155.6	85%	0.852	78%	0.779	S	S	*	*			trans	74.6	133.7	146.9	-77.9	-172.1	174.8	-176.3	0	123.6
42	K	30.4	Very low	29.9	Very low	201 Å²	201	153.7 Å²	153.7	87%	0.874	77%	0.773	S	S	*	*			trans	70.9	131.4	164.1	-72.7	-168.6	173.7	-173.7	0	118.5
43	P	29.7	Very low	29.7	Very low	134 Å²	134	154.2 Å²	154.2	87%	0.87	78%	0.775	S	S	*	*			trans	-92.9	132.2	-177.8	35.3	-32.8	0	0	0	113.6
44	G	29.5	Very low	29.2	Very low	70 Å²	70	155.5 Å²	155.5	72%	0.722	78%	0.779	S	S	*	*			trans	-119.4	179.4	157.2	0	0	0	0	0	110
45	S	29.1	Very low	28.9	Very low	119 Å²	119	157 Å²	157	83%	0.832	78%	0.78	S	S	*	*			trans	-71.5	146.4	178.3	54.1	0	0	0	0	113
46	P	29.6	Very low	28.5	Very low	111 Å²	111	157 Å²	157	72%	0.721	79%	0.789	S	S	*	*				-134.7	152.6	119	38.8	-28.7	0	0	0	110.9
47	K	25.7	Very low	28.3	Very low	206 Å²	206	152 Å²	152	90%	0.896	79%	0.789	S	S	*	*			cis	66.2	127.8	49.9	-75.1	-171	172.9	-179.3	0	113.8
48	A	27.1	Very low	27.9	Very low	94 Å²	94	150.5 Å²	150.5	78%	0.777	79%	0.79	S	S	*	*			trans	-91.2	157.1	-174.2	0	0	0	0	0	113.3
49	R	25.7	Very low	27.5	Very low	235 Å²	235	154.5 Å²	154.5	89%	0.887	81%	0.806	S	S	*	*			trans	175.2	151.8	163.8	-100.4	155.7	-176.6	-143	-2.8	109.3
50	F	25	Very low	27.2	Very low	155 Å²	155	151.5 Å²	151.5	68%	0.68	81%	0.807	S	S	*	*			cis	-167.8	-164.1	-15.8	-145.6	-116.7	0	0	0	110	E52	F50-E52 HydrophobicContact CD1-CG 4.29Å; F50-E52 VanDerWaalsContact CD1-OE2 3.31Å; F50-E52 WeakPolarHBondContact CD1-OE2 3.31Å; F50-E52 HydrophobicContact CE1-CG 4.12Å; F50-E52 WeakPolarHBondContact CE1-OE1 3.32Å; F50-E52 VanDerWaalsContact CE1-OE2 3.32Å; F50-E52 WeakPolarHBondContact CE1-OE2 3.44Å
51	C	24.4	Very low	27	Very low	105 Å²	105	150.6 Å²	150.6	71%	0.709	81%	0.811	S	S	*	*			trans	75.9	111.1	171.9	-53.3	0	0	0	0	114.2
52	E	25.9	Very low	26.9	Very low	147 Å²	147	144.7 Å²	144.7	69%	0.687	81%	0.805	S	S	*	*			cis	70.2	119.3	45.3	-52.9	169.8	130	0	0	114.3	F50	F50-E52 HydrophobicContact CD1-CG 4.29Å; F50-E52 VanDerWaalsContact CD1-OE2 3.31Å; F50-E52 WeakPolarHBondContact CD1-OE2 3.31Å; F50-E52 HydrophobicContact CE1-CG 4.12Å; F50-E52 WeakPolarHBondContact CE1-OE1 3.32Å; F50-E52 VanDerWaalsContact CE1-OE2 3.32Å; F50-E52 WeakPolarHBondContact CE1-OE2 3.44Å
53	R	26.7	Very low	27.3	Very low	254 Å²	254	139.5 Å²	139.5	96%	0.958	79%	0.794	S	S	*	*				-138.9	123.4	117.4	-93.9	-178.7	-175.7	-173.2	-1.2	108.3
54	S	24.4	Very low	28.4	Very low	103 Å²	103	140 Å²	140	72%	0.72	79%	0.785	S	S	*	*			trans	-80.3	148.4	172	41.3	0	0	0	0	110.7
55	I	28.1	Very low	29.9	Very low	165 Å²	165	139.8 Å²	139.8	85%	0.846	77%	0.767	S	S	*	*			trans	-133.2	106.4	148.8	-61	-177.5	0	0	0	105.6
56	E	24.2	Very low	32.1	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.874	73%	0.728	S	S	*	*			trans	-85	129.2	165.7	-64	179.2	146.2	0	0	108.1
57	A	28.9	Very low	34.7	Very low	91 Å²	91	129.6 Å²	129.6	75%	0.752	70%	0.698	S	S	*	*			trans	-150.9	110.3	167.7	0	0	0	0	0	109.6
58	N	24.2	Very low	37.5	Very low	150 Å²	150	119.9 Å²	119.9	80%	0.802	66%	0.655	S	S	*	*			trans	-62.2	138.8	-179.5	-58.2	-61.6	0	0	0	112.3
59	Q	26.8	Very low	40.4	Very low	199 Å²	199	116.1 Å²	116.1	93%	0.93	62%	0.622	S	S	*	*				-167.4	149.5	115.1	-99.7	148	86.2	0	0	110.9
60	G	24.1	Very low	43.6	Very low	70 Å²	70	105 Å²	105	72%	0.722	58%	0.58	S	S	*	*			trans	-88.7	149.9	-160.7	0	0	0	0	0	115.4
61	N	27.2	Very low	46.7	Very low	171 Å²	171	98.6 Å²	98.6	91%	0.914	55%	0.552	S	S	*	*			trans	-149.4	151.7	154.2	-97.5	-49.8	0	0	0	108.8	S63	N61-S63 PolarHBondContact O-N 3.17Å
62	G	28.6	Very low	50	Low	72 Å²	72	93.6 Å²	93.6	74%	0.742	52%	0.519	S	S	*	.			trans	-63.3	126.6	-160.8	0	0	0	0	0	115.5	Q64	G62-Q64 PolarHBondContact O-N 3.42Å
63	S	38.9	Very low	53.1	Low	91 Å²	91	88.8 Å²	88.8	64%	0.636	50%	0.495	S	S	*	.			trans	-73	103.1	173.2	56.1	0	0	0	0	111.2	N61 D65	N61-S63 PolarHBondContact O-N 3.17Å; S63-D65 PolarHBondContact O-N 3.28Å
64	Q	52.1	Low	56.1	Low	145 Å²	145	80.1 Å²	80.1	68%	0.678	46%	0.462	S	S	*	.			trans	-71.1	105.6	169.1	-67.1	-178.6	-12.2	0	0	109.5	G62 V298	G62-Q64 PolarHBondContact O-N 3.42Å; Q64-V298 HydrophobicContact CB-CG1 4.25Å
65	D	61.3	Low	59.2	Low	65 Å²	65	75.2 Å²	75.2	35%	0.348	43%	0.428	S	S	.	.			trans	-72.4	129.7	172.7	-76.2	-35.3	0	0	0	110.8	S63 R150	S63-D65 PolarHBondContact O-N 3.28Å; D65-R150 IonicContact OD1-CZ 3.56Å; D65-R150 VanDerWaalsContact OD1-CZ 3.23Å; D65-R150 IonicContact OD1-NE 2.75Å; D65-R150 IonicContact OD1-NH1 2.71Å; D65-R150 PolarHBondContact OD1-NH1 2.7Å; D65-R150 IonicContact OD1-NH2 3.86Å
66	G	74.2	Confident	62.1	Low	1 Å²	1	68 Å²	68	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.9	173.3	0	0	0	0	0	112.5	F149 T297	G66-F149 WeakPolarHBondContact O-CB 3.39Å; G66-F149 PolarHBondContact O-N 2.73Å; G66-T297 WeakPolarHBondContact CA-O 3.19Å
67	I	84.8	Confident	64.9	Low	16 Å²	16	62.4 Å²	62.4	8%	0.082	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	158.8	173.6	51.5	177	0	0	0	110.8	I144 T297 R299	I67-I144 HydrophobicContact CD1-CG2 3.45Å; I67-I144 VanDerWaalsContact CD1-CG2 3.45Å; I67-I144 HydrophobicContact CG1-CG2 4.27Å; I67-T297 VanDerWaalsContact CG1-O 3.24Å; I67-T297 WeakPolarHBondContact CG1-O 3.43Å; I67-T297 PolarHBondContact N-O 2.95Å; I67-T297 PolarHBondContact O-N 2.87Å; I67-R299 HydrophobicContact CD1-CG 3.92Å; I67-R299 HydrophobicContact CG1-CG 4.26Å; I67-R299 HydrophobicContact CG2-CG 3.82Å
68	L	85.4	Confident	67.5	Low	2 Å²	2	58.3 Å²	58.3	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.4	-177.9	178	65.3	0	0	0	111	I70 I93 I145 F149 F152 I294	L68-I70 HydrophobicContact CD2-CD1 4.29Å; L68-I70 HydrophobicContact CG-CD1 4.48Å; L68-I70 HydrophobicContact CG-CG1 4.21Å; L68-I93 HydrophobicContact CD2-CD1 3.99Å; L68-I145 HydrophobicContact CB-CB 4.34Å; L68-I145 HydrophobicContact CD2-CB 4.44Å; L68-I145 HydrophobicContact CD2-CD1 4.21Å; L68-I145 PolarHBondContact N-O 3.41Å; L68-I145 PolarHBondContact O-N 3.39Å; L68-F149 HydrophobicContact CB-CD2 4.29Å; L68-F149 HydrophobicContact CD1-CD2 3.77Å; L68-F149 HydrophobicContact CD1-CE2 3.76Å; L68-F152 HydrophobicContact CB-CD2 4.1Å; L68-F152 HydrophobicContact CB-CE2 3.94Å; L68-F152 HydrophobicContact CD2-CD1 4.37Å; L68-F152 HydrophobicContact CD2-CD2 3.77Å; L68-F152 HydrophobicContact CD2-CE1 4.32Å; L68-F152 HydrophobicContact CD2-CE2 3.7Å; L68-F152 HydrophobicContact CD2-CG 4.11Å; L68-F152 HydrophobicContact CD2-CZ 3.99Å; L68-F152 HydrophobicContact CG-CD2 4.44Å; L68-F152 HydrophobicContact CG-CE2 4.45Å; L68-I294 HydrophobicContact CD1-CG2 3.53Å
69	E	88.1	Confident	70	Confident	15 Å²	15	57.1 Å²	57.1	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	172.3	-168	-175.3	125.1	0	0	110.8	I71 I142 I144 I294 K295 T297	E69-I71 HydrophobicContact CG-CG1 4.5Å; E69-I142 HydrophobicContact CG-CG2 3.36Å; E69-I142 WeakPolarHBondContact OE1-CG2 3.24Å; E69-I144 HydrophobicContact CG-CG1 4.25Å; E69-I294 WeakPolarHBondContact O-CA 3.4Å; E69-K295 HydrophobicContact CB-CG 4.15Å; E69-K295 PolarHBondContact N-O 3.06Å; E69-K295 PolarHBondContact O-N 3.19Å; E69-K295 WeakPolarHBondContact OE1-CE 3.41Å; E69-K295 IonicContact OE1-NZ 3.23Å; E69-K295 PolarHBondContact OE1-NZ 2.97Å; E69-K295 WeakPolarHBondContact OE2-CE 3.26Å; E69-K295 IonicContact OE2-NZ 3.74Å; E69-K295 PolarHBondContact OE2-NZ 3.16Å; E69-T297 PolarHBondContact OE2-OG1 3.46Å
70	I	91.3	Very high	72.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.3	177.7	-55	174.1	0	0	0	108.1	L68 I72 I91 I93 I143 I145 L160 F162 T293 I294	L68-I70 HydrophobicContact CD2-CD1 4.29Å; L68-I70 HydrophobicContact CG-CD1 4.48Å; L68-I70 HydrophobicContact CG-CG1 4.21Å; I70-I72 HydrophobicContact CG2-CD1 3.88Å; I70-I91 HydrophobicContact CD1-CG2 4.48Å; I70-I91 HydrophobicContact CG2-CD1 4.21Å; I70-I93 HydrophobicContact CD1-CD1 4.26Å; I70-I143 HydrophobicContact CB-CB 4.48Å; I70-I143 PolarHBondContact N-O 2.71Å; I70-I143 PolarHBondContact O-N 2.91Å; I70-I145 HydrophobicContact CD1-CD1 3.88Å; I70-L160 HydrophobicContact CD1-CD2 3.64Å; I70-F162 HydrophobicContact CG2-CE1 4.41Å; I70-T293 WeakPolarHBondContact CA-O 3.45Å; I70-I294 HydrophobicContact CG1-CG1 4.42Å; I70-I294 HydrophobicContact CG2-CG1 4.48Å
71	I	91.9	Very high	74.1	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.108	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.6	177.4	-46.4	179	0	0	0	108.9	E69 Y73 E141 I142 V292 T293	E69-I71 HydrophobicContact CG-CG1 4.5Å; I71-Y73 HydrophobicContact CB-CD2 4.46Å; I71-Y73 HydrophobicContact CB-CE2 3.84Å; I71-Y73 HydrophobicContact CG2-CD1 4.19Å; I71-Y73 HydrophobicContact CG2-CD2 4.04Å; I71-Y73 HydrophobicContact CG2-CE1 3.83Å; I71-Y73 HydrophobicContact CG2-CE2 3.66Å; I71-Y73 HydrophobicContact CG2-CG 4.32Å; I71-E141 CarbonylContact C-O 3.58Å; I71-E141 WeakPolarHBondContact CA-O 3.4Å; I71-I142 HydrophobicContact CG1-CG1 4.3Å; I71-I142 HydrophobicContact CG2-CG1 4.33Å; I71-V292 CarbonylContact O-C 3.58Å; I71-V292 WeakPolarHBondContact O-CA 3.27Å; I71-T293 PolarHBondContact N-O 3.32Å; I71-T293 PolarHBondContact O-N 3.05Å
72	I	91.9	Very high	75.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.5	175.2	-53.9	-57.6	0	0	0	108.3	I70 V89 I91 T124 W139 D140 E141 I143 F162 L290 V292	I70-I72 HydrophobicContact CG2-CD1 3.88Å; I72-V89 HydrophobicContact CG2-CG2 4.12Å; I72-I91 HydrophobicContact CD1-CD1 3.91Å; I72-I91 HydrophobicContact CG1-CD1 4.08Å; I72-T124 HydrophobicContact CB-CG2 4.33Å; I72-T124 HydrophobicContact CG1-CG2 4.12Å; I72-T124 HydrophobicContact CG2-CG2 4.36Å; I72-W139 HydrophobicContact CG2-CB 4.3Å; I72-W139 HydrophobicContact CG2-CD2 4.28Å; I72-W139 HydrophobicContact CG2-CE3 4.1Å; I72-W139 HydrophobicContact CG2-CG 4.38Å; I72-D140 CarbonylContact O-C 3.6Å; I72-D140 VanDerWaalsContact O-CA 3.32Å; I72-D140 WeakPolarHBondContact O-CA 3.48Å; I72-D140 PolarHBondContact O-N 2.78Å; I72-D140 VanDerWaalsContact O-N 3.13Å; I72-E141 PolarHBondContact N-O 3.48Å; I72-E141 PolarHBondContact O-N 3.47Å; I72-I143 HydrophobicContact CG1-CD1 4.47Å; I72-F162 HydrophobicContact CD1-CD1 4.02Å; I72-F162 HydrophobicContact CD1-CE1 3.81Å; I72-L290 HydrophobicContact CG2-CD1 4.36Å; I72-V292 HydrophobicContact CD1-CB 4.39Å; I72-V292 HydrophobicContact CD1-CG1 3.64Å
73	Y	91.6	Very high	77.4	Confident	47 Å²	47	45 Å²	45	18%	0.184	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-70.6	-173.7	-59.4	-100.1	0	0	0	112.3	I71 V138 W139 D140 K213 Y291 T293	I71-Y73 HydrophobicContact CB-CD2 4.46Å; I71-Y73 HydrophobicContact CB-CE2 3.84Å; I71-Y73 HydrophobicContact CG2-CD1 4.19Å; I71-Y73 HydrophobicContact CG2-CD2 4.04Å; I71-Y73 HydrophobicContact CG2-CE1 3.83Å; I71-Y73 HydrophobicContact CG2-CE2 3.66Å; I71-Y73 HydrophobicContact CG2-CG 4.32Å; Y73-V138 CarbonylContact O-C 3.56Å; Y73-V138 WeakPolarHBondContact O-CA 3.48Å; Y73-W139 PolarHBondContact O-N 3.2Å; Y73-D140 VanDerWaalsContact CA-OD1 3.22Å; Y73-D140 WeakPolarHBondContact CA-OD1 3.37Å; Y73-D140 VanDerWaalsContact CB-OD1 3.27Å; Y73-D140 WeakPolarHBondContact CB-OD1 3.3Å; Y73-D140 VanDerWaalsContact CD1-OD1 3.27Å; Y73-D140 WeakPolarHBondContact CD1-OD1 3.34Å; Y73-D140 PolarHBondContact O-N 2.97Å; Y73-K213 HydrophobicContact CD2-CD 4.34Å; Y73-K213 HydrophobicContact CD2-CG 4.26Å; Y73-K213 HydrophobicContact CE2-CD 4.29Å; Y73-K213 HydrophobicContact CE2-CG 3.97Å; Y73-K213 VanDerWaalsContact CG-NZ 3.3Å; Y73-Y291 WeakPolarHBondContact CD2-O 3.45Å; Y73-Y291 PolarHBondContact N-O 3.18Å; Y73-Y291 VanDerWaalsContact N-O 3.07Å; Y73-T293 VanDerWaalsContact CE2-OG1 3.28Å; Y73-T293 WeakPolarHBondContact CE2-OG1 3.49Å; Y73-T293 PolarHBondContact OH-OG1 3.26Å
74	R	90.9	Very high	78.7	Confident	72 Å²	72	41.5 Å²	41.5	27%	0.272	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	172.3	-174.7	56.8	165.8	-97.9	-157.4	-14.8	111.8	D76 M136 P137 V138 Y291	R74-D76 IonicContact NH2-OD1 2.6Å; R74-D76 PolarHBondContact NH2-OD1 3Å; R74-M136 VanDerWaalsContact NH2-CE 3.32Å; R74-P137 VanDerWaalsContact CA-O 3.26Å; R74-P137 WeakPolarHBondContact CA-O 3.44Å; R74-P137 WeakPolarHBondContact CB-O 3.48Å; R74-V138 HydrophobicContact CB-CB 4.29Å; R74-V138 HydrophobicContact CB-CG1 4.34Å; R74-V138 HydrophobicContact CB-CG2 3.93Å; R74-Y291 HydrophobicContact CG-CD2 4.27Å; R74-Y291 WeakPolarHBondContact O-CD2 3.36Å; R74-Y291 PolarHBondContact O-N 3.13Å
75	T	89.6	Confident	79.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	178.7	160.9	60.3	0	0	0	0	113.1	L78 P137 W139 I164 L218 S289 L290	T75-L78 HydrophobicContact CG2-CD1 4.43Å; T75-L78 HydrophobicContact CG2-CD2 4.37Å; T75-P137 PolarHBondContact N-O 2.97Å; T75-P137 WeakPolarHBondContact OG1-CD 3.37Å; T75-W139 HydrophobicContact CG2-CZ3 4.19Å; T75-I164 HydrophobicContact CG2-CD1 3.75Å; T75-L218 HydrophobicContact CG2-CD1 4.12Å; T75-S289 CarbonylContact C-O 3.59Å; T75-S289 WeakPolarHBondContact CA-O 3.37Å; T75-S289 VanDerWaalsContact CB-O 3.31Å; T75-S289 WeakPolarHBondContact CB-O 3.27Å; T75-L290 HydrophobicContact CG2-CB 4.39Å; T75-L290 HydrophobicContact CG2-CD1 3.69Å
76	D	87.7	Confident	80	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.07	21%	0.206	C	C	.	.	S	Bend	trans	-85.1	-178	151	-61.5	-38.1	0	0	0	109.9	R74 L78 R215 S288 S289 Y291	R74-D76 IonicContact NH2-OD1 2.6Å; R74-D76 PolarHBondContact NH2-OD1 3Å; D76-L78 PolarHBondContact O-N 2.86Å; D76-R215 IonicContact OD2-CZ 3.9Å; D76-R215 IonicContact OD2-NE 2.62Å; D76-R215 IonicContact OD2-NH2 2.66Å; D76-R215 PolarHBondContact OD2-NH2 2.89Å; D76-S288 PolarHBondContact N-OG 3.35Å; D76-S288 PolarHBondContact O-OG 3.5Å; D76-S289 PolarHBondContact N-O 3.22Å; D76-Y291 VanDerWaalsContact OD1-CE2 3.31Å; D76-Y291 WeakPolarHBondContact OD1-CE2 3.48Å; D76-Y291 PolarHBondContact OD1-OH 3.34Å; D76-Y291 PolarHBondContact OD2-OH 3.24Å; D76-Y291 VanDerWaalsContact OD2-OH 3.13Å
77	R	83.6	Confident	80.5	Confident	70 Å²	70	40.6 Å²	40.6	26%	0.264	21%	0.206	S	C	.	.			trans	-53.6	123.6	-173.3	-168.2	179	-177.6	-174.1	4	112.9	L135 M136 S288 A523 D524	R77-L135 CarbonylContact C-O 3.56Å; R77-L135 WeakPolarHBondContact CA-O 3.47Å; R77-M136 HydrophobicContact CB-CG 4.22Å; R77-M136 HydrophobicContact CB-SD 4.4Å; R77-S288 WeakPolarHBondContact O-CB 3.33Å; R77-S288 PolarHBondContact O-OG 3.25Å; R77-A523 PolarHBondContact NH1-O 2.93Å; R77-D524 PolarHBondContact NH1-O 3.12Å
78	L	83.5	Confident	80.6	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.205	C	C	.	.			trans	-95.4	146.8	176.1	-65.7	178.9	0	0	0	111.4	T75 D76 V80 L87 L135 P137 I164 L218 Y286	T75-L78 HydrophobicContact CG2-CD1 4.43Å; T75-L78 HydrophobicContact CG2-CD2 4.37Å; D76-L78 PolarHBondContact O-N 2.86Å; L78-V80 HydrophobicContact CB-CG2 3.64Å; L78-V80 PolarHBondContact O-N 3.38Å; L78-L87 HydrophobicContact CD1-CD1 4.12Å; L78-L135 PolarHBondContact N-O 3.35Å; L78-P137 HydrophobicContact CD1-CG 3.74Å; L78-I164 HydrophobicContact CD1-CG2 4.37Å; L78-L218 HydrophobicContact CD2-CD1 4Å; L78-Y286 HydrophobicContact CD2-CE1 3.73Å
79	K	77.3	Confident	80.9	Confident	125 Å²	125	40.5 Å²	40.5	54%	0.543	21%	0.205	S	C	.	.			trans	-75.6	95.7	165.3	-55.8	173.2	-175.5	171.7	0	107.8	E220 Y286	K79-E220 IonicContact NZ-OE1 3.43Å; K79-E220 PolarHBondContact NZ-OE1 2.72Å; K79-Y286 WeakPolarHBondContact CA-OH 3.48Å; K79-Y286 WeakPolarHBondContact CB-OH 3.43Å; K79-Y286 HydrophobicContact CD-CE2 4.44Å; K79-Y286 HydrophobicContact CG-CE1 4.48Å; K79-Y286 PolarHBondContact N-OH 2.78Å; K79-Y286 PolarHBondContact O-OH 3.3Å
80	V	71.5	Confident	81	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.079	21%	0.207	C	C	.	.			trans	-112.2	128.8	-176	178.3	0	0	0	0	111.1	L78 T84 L87 Y131 L134	L78-V80 HydrophobicContact CB-CG2 3.64Å; L78-V80 PolarHBondContact O-N 3.38Å; V80-T84 VanDerWaalsContact CG1-CB 3.48Å; V80-T84 HydrophobicContact CG1-CG2 3.47Å; V80-T84 VanDerWaalsContact CG1-CG2 3.47Å; V80-L87 HydrophobicContact CG2-CD1 4.27Å; V80-Y131 HydrophobicContact CG1-CE2 4.26Å; V80-Y131 PolarHBondContact O-OH 2.98Å; V80-L134 HydrophobicContact CG1-CB 4.36Å; V80-L134 WeakPolarHBondContact CG2-O 3.37Å
81	G	65.5	Low	81	Confident	30 Å²	30	41.3 Å²	41.3	31%	0.309	21%	0.207	S	C	.	.			trans	-74.5	153.7	179.3	0	0	0	0	0	112.4	S83 T84	G81-S83 PolarHBondContact O-N 3.07Å; G81-S83 VanDerWaalsContact O-N 3.07Å; G81-T84 WeakPolarHBondContact O-CB 3.32Å; G81-T84 PolarHBondContact O-N 2.98Å
82	P	61.7	Low	81	Confident	129 Å²	129	40.3 Å²	40.3	84%	0.838	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.3	178.4	28.7	-36.1	0	0	0	113.8
83	S	62.4	Low	81	Confident	86 Å²	86	40.5 Å²	40.5	60%	0.601	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-21	172.7	50.7	0	0	0	0	114	G81	G81-S83 PolarHBondContact O-N 3.07Å; G81-S83 VanDerWaalsContact O-N 3.07Å
84	T	67.5	Low	80.9	Confident	17 Å²	17	38.3 Å²	38.3	10%	0.104	20%	0.195	C	C	.	.			trans	-73.7	139.8	-172.2	-68.3	0	0	0	0	112	V80 G81 L87 L134 D166	V80-T84 VanDerWaalsContact CG1-CB 3.48Å; V80-T84 HydrophobicContact CG1-CG2 3.47Å; V80-T84 VanDerWaalsContact CG1-CG2 3.47Å; G81-T84 WeakPolarHBondContact O-CB 3.32Å; G81-T84 PolarHBondContact O-N 2.98Å; T84-L87 HydrophobicContact CG2-CD2 3.98Å; T84-L87 HydrophobicContact CG2-CG 4.14Å; T84-L134 WeakPolarHBondContact O-CD1 3.19Å; T84-D166 WeakPolarHBondContact CA-OD2 3.32Å; T84-D166 WeakPolarHBondContact CB-OD2 3.22Å; T84-D166 HydrophobicContact CG2-CB 4.26Å; T84-D166 VanDerWaalsContact CG2-CG 3.5Å; T84-D166 WeakPolarHBondContact CG2-OD2 3.36Å; T84-D166 PolarHBondContact OG1-OD2 2.9Å
85	R	65.6	Low	80.8	Confident	145 Å²	145	35.5 Å²	35.5	55%	0.547	19%	0.185	S	C	.	.			trans	-132.6	-32.1	-174	-62.8	-174	-175.9	-163.8	-0.1	114.7	D166	R85-D166 PolarHBondContact N-OD1 2.88Å
86	H	73.8	Confident	80.6	Confident	48 Å²	48	36.5 Å²	36.5	22%	0.222	19%	0.191	C	C	.	.			trans	-142.3	107.4	-171.1	-43.1	118.3	0	0	0	110.9	L126 N128 D166 S167	H86-L126 HydrophobicContact CB-CB 4.46Å; H86-L126 HydrophobicContact CB-CD2 3.97Å; H86-N128 VanDerWaalsContact CD2-CG 3.49Å; H86-N128 PolarHBondContact CD2-OD1 3.2Å; H86-D166 PolarHBondContact N-OD1 2.96Å; H86-D166 CarbonylContact O-C 3.58Å; H86-D166 WeakPolarHBondContact O-CA 3.34Å; H86-S167 PolarHBondContact ND1-O 3.49Å; H86-S167 PolarHBondContact O-N 3.25Å
87	L	84.9	Confident	80.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.2	180	-69.7	174.2	0	0	0	112	L78 V80 T84 V127 L134 P137 W139 I164 L165 D166	L78-L87 HydrophobicContact CD1-CD1 4.12Å; V80-L87 HydrophobicContact CG2-CD1 4.27Å; T84-L87 HydrophobicContact CG2-CD2 3.98Å; T84-L87 HydrophobicContact CG2-CG 4.14Å; L87-V127 PolarHBondContact N-O 2.93Å; L87-V127 PolarHBondContact O-N 2.94Å; L87-L134 HydrophobicContact CD1-CB 4.49Å; L87-L134 HydrophobicContact CD1-CD2 4.18Å; L87-L134 HydrophobicContact CG-CD2 4.16Å; L87-P137 HydrophobicContact CD1-CB 4.4Å; L87-P137 HydrophobicContact CD1-CG 4.01Å; L87-W139 HydrophobicContact CB-CZ2 4.34Å; L87-I164 HydrophobicContact CD2-CG2 4.4Å; L87-L165 WeakPolarHBondContact CA-O 3.39Å; L87-D166 HydrophobicContact CD2-CB 4.37Å
88	F	88.2	Confident	80.5	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.066	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.8	170.4	67.5	-76.8	0	0	0	111.9	R90 K123 L126 I164 L165	F88-R90 HydrophobicContact CE2-CB 4.37Å; F88-K123 HydrophobicContact CD2-CB 4.21Å; F88-K123 HydrophobicContact CD2-CG 4.31Å; F88-K123 HydrophobicContact CE2-CB 4.48Å; F88-K123 HydrophobicContact CE2-CD 4.06Å; F88-K123 HydrophobicContact CE2-CG 4.09Å; F88-L126 HydrophobicContact CB-CD2 4.06Å; F88-L126 HydrophobicContact CD1-CD2 3.65Å; F88-L126 HydrophobicContact CE1-CD2 4.45Å; F88-L126 HydrophobicContact CG-CD2 4.12Å; F88-I164 WeakPolarHBondContact O-CA 2.85Å; F88-L165 HydrophobicContact CD1-CB 4.05Å; F88-L165 HydrophobicContact CE1-CB 3.5Å; F88-L165 HydrophobicContact CE1-CD1 4.42Å; F88-L165 HydrophobicContact CE2-CB 4.05Å; F88-L165 HydrophobicContact CE2-CD1 3.64Å; F88-L165 HydrophobicContact CE2-CG 4.48Å; F88-L165 HydrophobicContact CZ-CB 3.51Å; F88-L165 HydrophobicContact CZ-CD1 3.55Å; F88-L165 HydrophobicContact CZ-CG 4.18Å; F88-L165 PolarHBondContact N-O 2.75Å; F88-L165 PolarHBondContact O-N 3.1Å
89	V	90.1	Very high	80.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.3	170.3	-169.8	0	0	0	0	108.8	I72 I91 K123 T124 W139 F162 E163 I164	I72-V89 HydrophobicContact CG2-CG2 4.12Å; V89-I91 HydrophobicContact CG1-CG1 4.33Å; V89-K123 WeakPolarHBondContact O-CA 3.35Å; V89-T124 HydrophobicContact CB-CG2 3.85Å; V89-T124 HydrophobicContact CG2-CG2 4.38Å; V89-T124 PolarHBondContact N-OG1 3.42Å; V89-T124 PolarHBondContact O-N 3.19Å; V89-T124 PolarHBondContact O-OG1 3.09Å; V89-W139 HydrophobicContact CG2-CD2 4.25Å; V89-W139 HydrophobicContact CG2-CE3 4.33Å; V89-W139 HydrophobicContact CG2-CH2 3.73Å; V89-W139 HydrophobicContact CG2-CZ2 3.65Å; V89-W139 HydrophobicContact CG2-CZ3 4.09Å; V89-F162 HydrophobicContact CG1-CB 3.96Å; V89-F162 HydrophobicContact CG1-CD1 4.29Å; V89-E163 CarbonylContact C-O 3.53Å; V89-E163 WeakPolarHBondContact CA-O 3.32Å; V89-I164 HydrophobicContact CG2-CG1 4.44Å
90	R	89.9	Confident	80.9	Confident	29 Å²	29	48.8 Å²	48.8	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.3	165.3	-176	-168.4	-68.4	158.8	-12.3	108.8	F88 H92 P121 V122 F162 E163 L165 S268	F88-R90 HydrophobicContact CE2-CB 4.37Å; R90-H92 VanDerWaalsContact CD-CE1 3.46Å; R90-H92 WeakPolarHBondContact CD-CE1 3.49Å; R90-H92 WeakPolarHBondContact CD-NE2 3.2Å; R90-P121 HydrophobicContact CG-CB 3.96Å; R90-V122 CarbonylContact C-O 3.49Å; R90-V122 WeakPolarHBondContact CA-O 3.42Å; R90-F162 CarbonylContact O-C 3.5Å; R90-F162 WeakPolarHBondContact O-CA 3.43Å; R90-E163 HydrophobicContact CB-CB 4.31Å; R90-E163 WeakPolarHBondContact CD-OE2 3.47Å; R90-E163 IonicContact CZ-OE2 3.39Å; R90-E163 PolarHBondContact N-O 3.16Å; R90-E163 IonicContact NE-OE2 3.86Å; R90-E163 IonicContact NH1-OE2 3.67Å; R90-E163 PolarHBondContact NH1-OE2 3.02Å; R90-E163 PolarHBondContact O-N 3.26Å; R90-L165 HydrophobicContact CB-CD1 4Å; R90-S268 PolarHBondContact NH1-OG 2.92Å; R90-S268 VanDerWaalsContact NH1-OG 3.08Å
91	I	92.4	Very high	81.6	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	-176.2	-51	-178.1	0	0	0	108.9	I70 I72 V89 I93 P121 V122 I143 L160 F161 F162	I70-I91 HydrophobicContact CD1-CG2 4.48Å; I70-I91 HydrophobicContact CG2-CD1 4.21Å; I72-I91 HydrophobicContact CD1-CD1 3.91Å; I72-I91 HydrophobicContact CG1-CD1 4.08Å; V89-I91 HydrophobicContact CG1-CG1 4.33Å; I91-I93 HydrophobicContact CG2-CG1 4.49Å; I91-P121 CarbonylContact O-C 3.57Å; I91-P121 VanDerWaalsContact O-CA 3.26Å; I91-P121 WeakPolarHBondContact O-CA 3.48Å; I91-V122 PolarHBondContact N-O 3.49Å; I91-V122 PolarHBondContact O-N 2.86Å; I91-I143 HydrophobicContact CD1-CD1 3.62Å; I91-L160 HydrophobicContact CG2-CD2 4.5Å; I91-F161 VanDerWaalsContact CA-O 3.32Å; I91-F161 WeakPolarHBondContact CA-O 3.43Å; I91-F162 HydrophobicContact CD1-CD1 4.24Å; I91-F162 HydrophobicContact CD1-CE1 4.14Å; I91-F162 HydrophobicContact CG1-CD1 4Å; I91-F162 HydrophobicContact CG1-CE1 4.31Å; I91-F162 HydrophobicContact CG2-CD1 4.38Å; I91-F162 HydrophobicContact CG2-CE1 4.19Å
92	H	91.7	Very high	82.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139	175.3	-49.2	-110.8	0	0	0	108.7	R90 M94 Y101 L160 F161 E163 A265 S268 G269	R90-H92 VanDerWaalsContact CD-CE1 3.46Å; R90-H92 WeakPolarHBondContact CD-CE1 3.49Å; R90-H92 WeakPolarHBondContact CD-NE2 3.2Å; H92-M94 HydrophobicContact CB-CG 4.48Å; H92-Y101 HydrophobicContact CB-CE1 4.02Å; H92-Y101 AromaticContact ND1-CE1 3.99Å; H92-Y101 AromaticContact ND1-CZ 3.92Å; H92-Y101 PolarHBondContact ND1-OH 2.79Å; H92-L160 CarbonylContact O-C 3.57Å; H92-L160 VanDerWaalsContact O-CA 3.3Å; H92-L160 WeakPolarHBondContact O-CA 3.29Å; H92-F161 HydrophobicContact CB-CB 4.24Å; H92-F161 PolarHBondContact N-O 3.28Å; H92-F161 PolarHBondContact O-N 2.78Å; H92-E163 IonicContact NE2-OE2 2.64Å; H92-A265 PolarHBondContact CE1-O 2.68Å; H92-A265 VanDerWaalsContact CE1-O 3.28Å; H92-S268 PolarHBondContact CE1-OG 2.96Å; H92-G269 WeakPolarHBondContact ND1-CA 3.06Å
93	I	91.3	Very high	83.1	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.3	176.4	-49.7	-172.2	0	0	0	108.4	L68 I70 I91 I102 I145 F152 V158 L160	L68-I93 HydrophobicContact CD2-CD1 3.99Å; I70-I93 HydrophobicContact CD1-CD1 4.26Å; I91-I93 HydrophobicContact CG2-CG1 4.49Å; I93-I102 HydrophobicContact CG2-CD1 3.6Å; I93-I102 HydrophobicContact CG2-CG1 4.32Å; I93-I102 PolarHBondContact O-N 2.85Å; I93-I145 HydrophobicContact CD1-CD1 3.42Å; I93-I145 VanDerWaalsContact CD1-CD1 3.42Å; I93-F152 HydrophobicContact CG2-CD1 4.2Å; I93-F152 HydrophobicContact CG2-CE1 4.13Å; I93-V158 HydrophobicContact CG2-CG1 3.84Å; I93-L160 HydrophobicContact CD1-CD2 4.07Å; I93-L160 HydrophobicContact CD1-CG 4.48Å; I93-L160 HydrophobicContact CG1-CD2 4.16Å; I93-L160 HydrophobicContact CG1-CG 4.18Å; I93-L160 HydrophobicContact CG2-CG 4.49Å
94	M	90.3	Very high	83.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.2	-169.2	-56.8	-177	80	0	0	111.6	H92 D100 Y101 I159 F161 Y270 L273	H92-M94 HydrophobicContact CB-CG 4.48Å; M94-D100 WeakPolarHBondContact CA-O 3.33Å; M94-Y101 HydrophobicContact CE-CD2 3.97Å; M94-Y101 HydrophobicContact CE-CE2 3.81Å; M94-Y101 HydrophobicContact CG-CD1 4.05Å; M94-Y101 HydrophobicContact CG-CE1 4.13Å; M94-Y101 HydrophobicContact CG-CG 4.3Å; M94-Y101 HydrophobicContact SD-CE1 4.5Å; M94-Y101 HydrophobicContact SD-CE2 4.41Å; M94-I159 HydrophobicContact CB-CG2 4.12Å; M94-I159 PolarHBondContact N-O 3.43Å; M94-I159 PolarHBondContact O-N 2.84Å; M94-F161 HydrophobicContact SD-CD2 4.18Å; M94-F161 HydrophobicContact SD-CE2 4.15Å; M94-Y270 HydrophobicContact CE-CD1 3.63Å; M94-Y270 HydrophobicContact CE-CE1 3.84Å; M94-Y270 HydrophobicContact CE-CG 4.42Å; M94-L273 HydrophobicContact CE-CD2 3.98Å; M94-L273 HydrophobicContact SD-CB 4.35Å
95	D	87.9	Confident	82.8	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.8	172.1	-179.6	-22.6	0	0	0	109.5	E97 R98 E99 D100 N157	D95-E97 PolarHBondContact O-N 3.07Å; D95-E97 WeakPolarHBondContact OD1-CA 3Å; D95-E97 WeakPolarHBondContact OD1-CB 3.48Å; D95-E97 PolarHBondContact OD1-N 2.9Å; D95-R98 HydrophobicContact CB-CB 4.09Å; D95-R98 HydrophobicContact CB-CG 4.37Å; D95-R98 PolarHBondContact OD1-N 3.01Å; D95-R98 VanDerWaalsContact OD2-CD 3.28Å; D95-R98 WeakPolarHBondContact OD2-CD 3.4Å; D95-R98 WeakPolarHBondContact OD2-CG 2.91Å; D95-R98 IonicContact OD2-NE 3.4Å; D95-R98 PolarHBondContact OD2-NE 3Å; D95-E99 WeakPolarHBondContact O-CA 3.45Å; D95-E99 PolarHBondContact O-N 2.97Å; D95-D100 PolarHBondContact N-O 2.76Å; D95-N157 WeakPolarHBondContact OD1-CB 3.48Å
96	T	86.3	Confident	81.8	Confident	21 Å²	21	47.5 Å²	47.5	13%	0.129	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17	-178.6	59.2	0	0	0	0	114.6	N157 I159 L273 W276 K277	T96-N157 WeakPolarHBondContact CG2-O 3.16Å; T96-N157 PolarHBondContact N-O 3.11Å; T96-N157 PolarHBondContact OG1-O 3.48Å; T96-I159 HydrophobicContact CG2-CB 3.81Å; T96-I159 HydrophobicContact CG2-CD1 4.35Å; T96-I159 HydrophobicContact CG2-CG2 3.52Å; T96-L273 HydrophobicContact CG2-CD1 4.2Å; T96-W276 HydrophobicContact CG2-CH2 4.06Å; T96-W276 HydrophobicContact CG2-CZ3 3.92Å; T96-K277 VanDerWaalsContact O-CE 3.27Å; T96-K277 WeakPolarHBondContact O-CE 3.32Å; T96-K277 PolarHBondContact O-NZ 2.92Å
97	E	84.3	Confident	80	Confident	147 Å²	147	54.6 Å²	54.6	69%	0.687	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-42.2	177.4	-174.2	170.4	-176.4	0	0	111.5	D95 E99 N157	D95-E97 PolarHBondContact O-N 3.07Å; D95-E97 WeakPolarHBondContact OD1-CA 3Å; D95-E97 WeakPolarHBondContact OD1-CB 3.48Å; D95-E97 PolarHBondContact OD1-N 2.9Å; E97-E99 VanDerWaalsContact C-N 3.31Å; E97-N157 HydrophobicContact CB-CB 4.32Å; E97-N157 WeakPolarHBondContact CB-ND2 3.32Å; E97-N157 PolarHBondContact OE2-ND2 3.48Å
98	R	83.7	Confident	77.7	Confident	176 Å²	176	61.9 Å²	61.9	66%	0.664	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.5	175.1	-64.1	178.6	-175.7	-167.4	0.6	114.2	D95 D100	D95-R98 HydrophobicContact CB-CB 4.09Å; D95-R98 HydrophobicContact CB-CG 4.37Å; D95-R98 PolarHBondContact OD1-N 3.01Å; D95-R98 VanDerWaalsContact OD2-CD 3.28Å; D95-R98 WeakPolarHBondContact OD2-CD 3.4Å; D95-R98 WeakPolarHBondContact OD2-CG 2.91Å; D95-R98 IonicContact OD2-NE 3.4Å; D95-R98 PolarHBondContact OD2-NE 3Å; R98-D100 HydrophobicContact CB-CB 4.42Å; R98-D100 PolarHBondContact O-N 2.85Å
99	E	85.3	Confident	74.9	Confident	107 Å²	107	67.2 Å²	67.2	50%	0.5	33%	0.327	S	S	.	.	S	Bend	trans	63.4	13.9	-170.9	-49.7	-154.8	142.3	0	0	115.4	D95 E97 Y270 L273 K277	D95-E99 WeakPolarHBondContact O-CA 3.45Å; D95-E99 PolarHBondContact O-N 2.97Å; E97-E99 VanDerWaalsContact C-N 3.31Å; E99-Y270 WeakPolarHBondContact O-CE1 3.4Å; E99-L273 HydrophobicContact CB-CD2 4.2Å; E99-K277 WeakPolarHBondContact OE1-CD 3.34Å; E99-K277 WeakPolarHBondContact OE1-CE 3.47Å; E99-K277 IonicContact OE1-NZ 2.79Å; E99-K277 PolarHBondContact OE1-NZ 3.3Å
100	D	85.6	Confident	72.3	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.214	36%	0.357	C	S	.	.	S	Bend	trans	-124.1	169.9	-171.3	-155.6	-13.1	0	0	0	111.7	M94 D95 R98 Y118 Y270	M94-D100 WeakPolarHBondContact CA-O 3.33Å; D95-D100 PolarHBondContact N-O 2.76Å; R98-D100 HydrophobicContact CB-CB 4.42Å; R98-D100 PolarHBondContact O-N 2.85Å; D100-Y118 PolarHBondContact OD2-OH 3.24Å; D100-Y270 PolarHBondContact OD1-OH 3.35Å; D100-Y270 VanDerWaalsContact OD1-OH 3.06Å
101	Y	86.1	Confident	69.5	Low	9 Å²	9	74.7 Å²	74.7	4%	0.035	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-66.2	156.5	169	-71.3	-96.7	0	0	0	111	H92 M94 K103 Y118 V119 P121 V266 G269 Y270	H92-Y101 HydrophobicContact CB-CE1 4.02Å; H92-Y101 AromaticContact ND1-CE1 3.99Å; H92-Y101 AromaticContact ND1-CZ 3.92Å; H92-Y101 PolarHBondContact ND1-OH 2.79Å; M94-Y101 HydrophobicContact CE-CD2 3.97Å; M94-Y101 HydrophobicContact CE-CE2 3.81Å; M94-Y101 HydrophobicContact CG-CD1 4.05Å; M94-Y101 HydrophobicContact CG-CE1 4.13Å; M94-Y101 HydrophobicContact CG-CG 4.3Å; M94-Y101 HydrophobicContact SD-CE1 4.5Å; M94-Y101 HydrophobicContact SD-CE2 4.41Å; Y101-K103 PolarHBondContact O-N 3.33Å; Y101-Y118 WeakPolarHBondContact O-CD1 3.28Å; Y101-V119 WeakPolarHBondContact CD1-O 3.44Å; Y101-P121 HydrophobicContact CE1-CG 3.94Å; Y101-V266 HydrophobicContact CD2-CG1 4.3Å; Y101-V266 HydrophobicContact CE2-CG1 3.64Å; Y101-V266 PolarHBondContact OH-O 3.43Å; Y101-G269 WeakPolarHBondContact OH-CA 3.16Å; Y101-Y270 HydrophobicContact CD2-CE1 4.45Å; Y101-Y270 HydrophobicContact CE2-CE1 4.41Å; Y101-Y270 HydrophobicContact CE2-CE2 4.26Å
102	I	82.8	Confident	66.5	Low	16 Å²	16	81.3 Å²	81.3	8%	0.082	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-73	131.4	179.8	-61.8	-175.8	0	0	0	109.7	I93 Y118 V119 F152 V158	I93-I102 HydrophobicContact CG2-CD1 3.6Å; I93-I102 HydrophobicContact CG2-CG1 4.32Å; I93-I102 PolarHBondContact O-N 2.85Å; I102-Y118 WeakPolarHBondContact O-CA 3.5Å; I102-V119 PolarHBondContact O-N 3.33Å; I102-F152 HydrophobicContact CD1-CD1 3.73Å; I102-F152 HydrophobicContact CD1-CE1 4Å; I102-F152 HydrophobicContact CG2-CE1 4.39Å; I102-V158 HydrophobicContact CD1-CB 4.37Å; I102-V158 HydrophobicContact CD1-CG1 3.93Å; I102-V158 HydrophobicContact CD1-CG2 3.66Å
103	K	75.6	Confident	63.6	Low	94 Å²	94	89.1 Å²	89.1	41%	0.409	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-71.9	136.3	175	-157.5	-163	177.7	-150.4	0	110	Y101 E106 A117 Y118	Y101-K103 PolarHBondContact O-N 3.33Å; K103-E106 IonicContact NZ-OE1 3.8Å; K103-E106 PolarHBondContact NZ-OE1 2.8Å; K103-A117 WeakPolarHBondContact CA-O 3.22Å; K103-A117 HydrophobicContact CG-CB 4.47Å; K103-A117 WeakPolarHBondContact CG-O 3.34Å; K103-Y118 HydrophobicContact CB-CD1 4.21Å; K103-Y118 HydrophobicContact CB-CE1 4.22Å; K103-Y118 HydrophobicContact CG-CD1 4.41Å; K103-Y118 HydrophobicContact CG-CE1 4.34Å
104	C	65.1	Low	60.8	Low	28 Å²	28	98.3 Å²	98.3	19%	0.189	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-76.2	150.8	176.4	-51.5	0	0	0	0	111.9	E106 A117 Y118	C104-E106 PolarHBondContact O-N 3Å; C104-A117 PolarHBondContact N-O 3.39Å; C104-Y118 VanDerWaalsContact SG-C 3.5Å
105	D	57.5	Low	58.4	Low	98 Å²	98	106.4 Å²	106.4	52%	0.524	55%	0.548	S	S	.	.			trans	-88.5	95.3	176.5	-79.2	-48.5	0	0	0	110.9	K107 E147 T151	D105-K107 PolarHBondContact O-N 2.89Å; D105-E147 PolarHBondContact N-OE2 3.45Å; D105-T151 WeakPolarHBondContact OD2-CG2 3.26Å; D105-T151 PolarHBondContact OD2-OG1 2.98Å
106	E	44.8	Very low	56.6	Low	149 Å²	149	108.6 Å²	108.6	70%	0.696	56%	0.564	S	S	*	*			trans	-57.2	92	-174.8	-69.2	165.8	-144.8	0	0	114.5	K103 C104	K103-E106 IonicContact NZ-OE1 3.8Å; K103-E106 PolarHBondContact NZ-OE1 2.8Å; C104-E106 PolarHBondContact O-N 3Å
107	K	36.9	Very low	55.4	Low	196 Å²	196	109.4 Å²	109.4	85%	0.852	57%	0.573	S	S	*	*			trans	-145.7	51.5	175	-72.2	-164.7	177.9	177.6	0	116.3	D105	D105-K107 PolarHBondContact O-N 2.89Å
108	I	36	Very low	54.8	Low	154 Å²	154	107.1 Å²	107.1	79%	0.79	56%	0.559	S	S	*	*			trans	-135.7	129.2	159.2	-56.8	-178.2	0	0	0	109.8
109	S	28.5	Very low	54.4	Low	126 Å²	126	99.5 Å²	99.5	88%	0.881	53%	0.532	S	S	*	.			trans	-83.4	110.8	173.8	54.5	0	0	0	0	111.1
110	G	36.5	Very low	54	Low	61 Å²	61	98.7 Å²	98.7	63%	0.629	53%	0.531	S	S	*	.			trans	-154.6	160.1	175.3	0	0	0	0	0	111.9	V112	G110-V112 PolarHBondContact O-N 3.38Å
111	P	30.7	Very low	53.8	Low	126 Å²	126	98 Å²	98	82%	0.818	53%	0.528	S	S	*	.			trans	-80.6	107.6	-174.3	31	-33.7	0	0	0	113.1
112	V	28.6	Very low	53.8	Low	142 Å²	142	99.7 Å²	99.7	86%	0.861	54%	0.54	S	S	*	.			trans	31.8	89.1	145.4	-165.7	0	0	0	0	117.8	G110	G110-V112 PolarHBondContact O-N 3.38Å
113	E	31.1	Very low	53.9	Low	164 Å²	164	104.8 Å²	104.8	77%	0.766	56%	0.561	S	S	*	*	S	Bend	trans	-139	82.2	155	-74.3	-168.1	153.8	0	0	109.4	H115	E113-H115 PolarHBondContact O-N 2.86Å; E113-H115 PolarHBondContact O-ND1 3Å
114	E	32.3	Very low	54.4	Low	198 Å²	198	100.9 Å²	100.9	93%	0.925	55%	0.545	S	S	*	.			trans	24.1	58.5	172.5	-61	-164.5	144.5	0	0	117.5	S116	E114-S116 PolarHBondContact O-N 3.27Å; E114-S116 VanDerWaalsContact O-N 3.17Å
115	H	40.2	Very low	55.2	Low	169 Å²	169	106.4 Å²	106.4	78%	0.782	57%	0.566	S	S	*	*			trans	-67.1	116.8	-177.7	-72.5	21.8	0	0	0	111.5	E113 A117	E113-H115 PolarHBondContact O-N 2.86Å; E113-H115 PolarHBondContact O-ND1 3Å; H115-A117 PolarHBondContact O-N 2.77Å
116	S	51.6	Low	56.2	Low	59 Å²	59	106 Å²	106	41%	0.413	56%	0.563	S	S	.	*			trans	-62.6	128.3	174.9	59.3	0	0	0	0	111.2	E114 Y118 L120	E114-S116 PolarHBondContact O-N 3.27Å; E114-S116 VanDerWaalsContact O-N 3.17Å; S116-Y118 PolarHBondContact O-N 3Å; S116-L120 WeakPolarHBondContact OG-CD1 3.15Å; S116-L120 WeakPolarHBondContact OG-CG 3.5Å
117	A	60.6	Low	57.6	Low	39 Å²	39	99.6 Å²	99.6	32%	0.322	53%	0.534	S	S	.	.	S	Bend	trans	-66.2	-1	-176.6	0	0	0	0	0	115.5	K103 C104 H115	K103-A117 WeakPolarHBondContact CA-O 3.22Å; K103-A117 HydrophobicContact CG-CB 4.47Å; K103-A117 WeakPolarHBondContact CG-O 3.34Å; C104-A117 PolarHBondContact N-O 3.39Å; H115-A117 PolarHBondContact O-N 2.77Å
118	Y	71.2	Confident	58.5	Low	99 Å²	99	95.5 Å²	95.5	39%	0.388	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-128.2	152.5	-171.8	-60.7	-73.4	0	0	0	112.4	D100 Y101 I102 K103 C104 S116 L120	D100-Y118 PolarHBondContact OD2-OH 3.24Å; Y101-Y118 WeakPolarHBondContact O-CD1 3.28Å; I102-Y118 WeakPolarHBondContact O-CA 3.5Å; K103-Y118 HydrophobicContact CB-CD1 4.21Å; K103-Y118 HydrophobicContact CB-CE1 4.22Å; K103-Y118 HydrophobicContact CG-CD1 4.41Å; K103-Y118 HydrophobicContact CG-CE1 4.34Å; C104-Y118 VanDerWaalsContact SG-C 3.5Å; S116-Y118 PolarHBondContact O-N 3Å; Y118-L120 PolarHBondContact O-N 2.94Å
119	V	75.1	Confident	59.4	Low	15 Å²	15	91.6 Å²	91.6	9%	0.091	51%	0.505	C	S	.	.			trans	-69.1	100.4	174.9	-179.3	0	0	0	0	109.9	Y101 I102 E147	Y101-V119 WeakPolarHBondContact CD1-O 3.44Å; I102-V119 PolarHBondContact O-N 3.33Å; V119-E147 HydrophobicContact CG2-CG 4.24Å
120	L	77.4	Confident	60.8	Low	91 Å²	91	93 Å²	93	48%	0.476	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-66.4	156.9	-179.5	-63.4	179.9	0	0	0	113.3	S116 Y118 V122	S116-L120 WeakPolarHBondContact OG-CD1 3.15Å; S116-L120 WeakPolarHBondContact OG-CG 3.5Å; Y118-L120 PolarHBondContact O-N 2.94Å; L120-V122 PolarHBondContact O-N 3.03Å
121	P	81.1	Confident	62	Low	24 Å²	24	95.3 Å²	95.3	16%	0.156	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-63.3	123.4	179.7	-21.2	32.3	0	0	0	113.7	R90 I91 Y101	R90-P121 HydrophobicContact CG-CB 3.96Å; I91-P121 CarbonylContact O-C 3.57Å; I91-P121 VanDerWaalsContact O-CA 3.26Å; I91-P121 WeakPolarHBondContact O-CA 3.48Å; Y101-P121 HydrophobicContact CE1-CG 3.94Å
122	V	85.8	Confident	63.4	Low	46 Å²	46	94.7 Å²	94.7	28%	0.279	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	142.9	-178.6	-172.5	0	0	0	0	110.5	R90 I91 L120 I143 I145	R90-V122 CarbonylContact C-O 3.49Å; R90-V122 WeakPolarHBondContact CA-O 3.42Å; I91-V122 PolarHBondContact N-O 3.49Å; I91-V122 PolarHBondContact O-N 2.86Å; L120-V122 PolarHBondContact O-N 3.03Å; V122-I143 HydrophobicContact CG1-CD1 4.21Å; V122-I143 HydrophobicContact CG1-CG2 3.83Å; V122-I145 HydrophobicContact CG2-CD1 4.41Å
123	K	84.4	Confident	65.1	Low	122 Å²	122	91.3 Å²	91.3	53%	0.53	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141	177.2	-57.7	174.7	-170.4	171.8	0	110.6	F88 V89	F88-K123 HydrophobicContact CD2-CB 4.21Å; F88-K123 HydrophobicContact CD2-CG 4.31Å; F88-K123 HydrophobicContact CE2-CB 4.48Å; F88-K123 HydrophobicContact CE2-CD 4.06Å; F88-K123 HydrophobicContact CE2-CG 4.09Å; V89-K123 WeakPolarHBondContact O-CA 3.35Å
124	T	87	Confident	67	Low	12 Å²	12	83.7 Å²	83.7	7%	0.074	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-70.5	168.7	163.8	63.2	0	0	0	0	111	I72 V89 W139 E141 I143	I72-T124 HydrophobicContact CB-CG2 4.33Å; I72-T124 HydrophobicContact CG1-CG2 4.12Å; I72-T124 HydrophobicContact CG2-CG2 4.36Å; V89-T124 HydrophobicContact CB-CG2 3.85Å; V89-T124 HydrophobicContact CG2-CG2 4.38Å; V89-T124 PolarHBondContact N-OG1 3.42Å; V89-T124 PolarHBondContact O-N 3.19Å; V89-T124 PolarHBondContact O-OG1 3.09Å; T124-W139 PolarHBondContact OG1-NE1 2.91Å; T124-W139 VanDerWaalsContact OG1-NE1 3.16Å; T124-E141 VanDerWaalsContact CA-OE2 3.22Å; T124-E141 WeakPolarHBondContact CA-OE2 3.33Å; T124-E141 WeakPolarHBondContact CB-OE2 3.45Å; T124-I143 HydrophobicContact CG2-CD1 3.92Å
125	K	82	Confident	69.3	Low	145 Å²	145	75.2 Å²	75.2	63%	0.63	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-54.9	155.2	158.1	-70.7	174.4	-174.4	84.2	0	111.2	W139 E141	K125-W139 VanDerWaalsContact O-CD1 3.3Å; K125-W139 PolarHBondContact O-NE1 3.07Å; K125-E141 WeakPolarHBondContact CG-OE1 3.28Å; K125-E141 PolarHBondContact N-OE2 2.8Å; K125-E141 IonicContact NZ-OE1 2.68Å; K125-E141 PolarHBondContact NZ-OE1 3.29Å
126	L	79.5	Confident	71.4	Confident	88 Å²	88	68.2 Å²	68.2	46%	0.461	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-76.9	126.9	171.4	-62	165.7	0	0	0	109.5	H86 F88 N128	H86-L126 HydrophobicContact CB-CB 4.46Å; H86-L126 HydrophobicContact CB-CD2 3.97Å; F88-L126 HydrophobicContact CB-CD2 4.06Å; F88-L126 HydrophobicContact CD1-CD2 3.65Å; F88-L126 HydrophobicContact CE1-CD2 4.45Å; F88-L126 HydrophobicContact CG-CD2 4.12Å; L126-N128 PolarHBondContact O-N 2.98Å
127	V	72.5	Confident	72.9	Confident	16 Å²	16	65.4 Å²	65.4	10%	0.097	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-77.2	111	161.6	173.8	0	0	0	0	107	L87 T129 L134 P137 V138 W139	L87-V127 PolarHBondContact N-O 2.93Å; L87-V127 PolarHBondContact O-N 2.94Å; V127-T129 WeakPolarHBondContact CG1-OG1 3.38Å; V127-L134 HydrophobicContact CG1-CD2 4.48Å; V127-P137 HydrophobicContact CB-CB 4.23Å; V127-P137 HydrophobicContact CG1-CB 4.08Å; V127-P137 HydrophobicContact CG2-CB 4.07Å; V127-V138 WeakPolarHBondContact CG2-O 3.39Å; V127-W139 HydrophobicContact CG2-CD2 4.05Å; V127-W139 HydrophobicContact CG2-CG 4.04Å; V127-W139 HydrophobicContact CG2-CZ2 4.39Å
128	N	55.7	Low	74.2	Confident	110 Å²	110	67.1 Å²	67.1	59%	0.588	33%	0.329	S	S	*	.			trans	-126.5	88.4	-172.4	-174.2	-3.2	0	0	0	109.5	H86 L126	H86-N128 VanDerWaalsContact CD2-CG 3.49Å; H86-N128 PolarHBondContact CD2-OD1 3.2Å; L126-N128 PolarHBondContact O-N 2.98Å
129	T	55.3	Low	75	Confident	71 Å²	71	63.7 Å²	63.7	44%	0.436	32%	0.315	S	S	.	.			trans	-152.7	-176.8	-164.5	42.4	0	0	0	0	110.4	V127 D133	V127-T129 WeakPolarHBondContact CG1-OG1 3.38Å; T129-D133 WeakPolarHBondContact CB-OD2 3.48Å; T129-D133 HydrophobicContact CG2-CB 4.47Å; T129-D133 VanDerWaalsContact OG1-CB 3.25Å; T129-D133 WeakPolarHBondContact OG1-CB 3.28Å
130	K	59.1	Low	75.5	Confident	155 Å²	155	67.8 Å²	67.8	67%	0.674	34%	0.337	S	S	*	.			trans	-68.9	162.1	-174.3	-58.8	173	-178.5	174.3	0	110.5	Q132 D133 L134	K130-Q132 PolarHBondContact O-N 3.22Å; K130-Q132 VanDerWaalsContact O-N 3.07Å; K130-D133 VanDerWaalsContact CB-OD2 3.31Å; K130-D133 WeakPolarHBondContact CB-OD2 3.27Å; K130-D133 PolarHBondContact N-OD2 3.31Å; K130-D133 WeakPolarHBondContact O-CA 3.42Å; K130-D133 WeakPolarHBondContact O-CB 3.46Å; K130-D133 PolarHBondContact O-N 3.37Å; K130-L134 PolarHBondContact O-N 2.96Å
131	Y	61.5	Low	76	Confident	111 Å²	111	64.6 Å²	64.6	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-53.4	-32.7	177.2	-176.2	-103	0	0	0	113.4	V80 D133 L134 L135	V80-Y131 HydrophobicContact CG1-CE2 4.26Å; V80-Y131 PolarHBondContact O-OH 2.98Å; Y131-D133 VanDerWaalsContact C-N 3.33Å; Y131-D133 PolarHBondContact O-N 2.86Å; Y131-L134 PolarHBondContact O-N 3.28Å; Y131-L135 HydrophobicContact CE1-CD1 4.46Å; Y131-L135 PolarHBondContact O-N 3.35Å
132	Q	59.2	Low	76.3	Confident	112 Å²	112	68 Å²	68	52%	0.523	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-36.8	173.1	-70.1	178.3	-27.2	0	0	113.2	K130	K130-Q132 PolarHBondContact O-N 3.22Å; K130-Q132 VanDerWaalsContact O-N 3.07Å
133	D	64.1	Low	76.3	Confident	71 Å²	71	66.4 Å²	66.4	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-80	-32.9	179.9	-49.2	-56.7	0	0	0	110.9	T129 K130 Y131 L135 M136	T129-D133 WeakPolarHBondContact CB-OD2 3.48Å; T129-D133 HydrophobicContact CG2-CB 4.47Å; T129-D133 VanDerWaalsContact OG1-CB 3.25Å; T129-D133 WeakPolarHBondContact OG1-CB 3.28Å; K130-D133 VanDerWaalsContact CB-OD2 3.31Å; K130-D133 WeakPolarHBondContact CB-OD2 3.27Å; K130-D133 PolarHBondContact N-OD2 3.31Å; K130-D133 WeakPolarHBondContact O-CA 3.42Å; K130-D133 WeakPolarHBondContact O-CB 3.46Å; K130-D133 PolarHBondContact O-N 3.37Å; Y131-D133 VanDerWaalsContact C-N 3.33Å; Y131-D133 PolarHBondContact O-N 2.86Å; D133-L135 PolarHBondContact O-N 3.48Å; D133-M136 CarbonylContact O-C 3.56Å; D133-M136 PolarHBondContact O-N 2.69Å; D133-M136 VanDerWaalsContact O-N 3.1Å
134	L	72.2	Confident	76.3	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-66.5	-23.6	174	-65.8	173.5	0	0	0	112.8	V80 T84 L87 V127 K130 Y131 M136 P137	V80-L134 HydrophobicContact CG1-CB 4.36Å; V80-L134 WeakPolarHBondContact CG2-O 3.37Å; T84-L134 WeakPolarHBondContact O-CD1 3.19Å; L87-L134 HydrophobicContact CD1-CB 4.49Å; L87-L134 HydrophobicContact CD1-CD2 4.18Å; L87-L134 HydrophobicContact CG-CD2 4.16Å; V127-L134 HydrophobicContact CG1-CD2 4.48Å; K130-L134 PolarHBondContact O-N 2.96Å; Y131-L134 PolarHBondContact O-N 3.28Å; L134-M136 PolarHBondContact O-N 2.84Å; L134-P137 WeakPolarHBondContact O-CD 3.37Å
135	L	80.3	Confident	76.1	Confident	20 Å²	20	65.5 Å²	65.5	11%	0.105	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.9	170.7	-71.8	170.2	0	0	0	112.6	R77 L78 Y131 D133	R77-L135 CarbonylContact C-O 3.56Å; R77-L135 WeakPolarHBondContact CA-O 3.47Å; L78-L135 PolarHBondContact N-O 3.35Å; Y131-L135 HydrophobicContact CE1-CD1 4.46Å; Y131-L135 PolarHBondContact O-N 3.35Å; D133-L135 PolarHBondContact O-N 3.48Å
136	M	83.6	Confident	75.8	Confident	22 Å²	22	62.8 Å²	62.8	11%	0.108	32%	0.317	C	S	.	.	S	Bend	trans	-143.1	79.6	174.9	-86.7	-161.5	27.6	0	0	111.9	R74 R77 D133 L134 V138 P589	R74-M136 VanDerWaalsContact NH2-CE 3.32Å; R77-M136 HydrophobicContact CB-CG 4.22Å; R77-M136 HydrophobicContact CB-SD 4.4Å; D133-M136 CarbonylContact O-C 3.56Å; D133-M136 PolarHBondContact O-N 2.69Å; D133-M136 VanDerWaalsContact O-N 3.1Å; L134-M136 PolarHBondContact O-N 2.84Å; M136-V138 PolarHBondContact O-N 3Å; M136-P589 HydrophobicContact CE-CB 3.86Å; M136-P589 WeakPolarHBondContact SD-CA 3.49Å; M136-P589 HydrophobicContact SD-CB 3.77Å
137	P	83.8	Confident	75.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.304	C	S	.	.			trans	-62.5	135.7	179.7	26.6	-36.2	0	0	0	112	R74 T75 L78 L87 V127 L134 W139	R74-P137 VanDerWaalsContact CA-O 3.26Å; R74-P137 WeakPolarHBondContact CA-O 3.44Å; R74-P137 WeakPolarHBondContact CB-O 3.48Å; T75-P137 PolarHBondContact N-O 2.97Å; T75-P137 WeakPolarHBondContact OG1-CD 3.37Å; L78-P137 HydrophobicContact CD1-CG 3.74Å; L87-P137 HydrophobicContact CD1-CB 4.4Å; L87-P137 HydrophobicContact CD1-CG 4.01Å; V127-P137 HydrophobicContact CB-CB 4.23Å; V127-P137 HydrophobicContact CG1-CB 4.08Å; V127-P137 HydrophobicContact CG2-CB 4.07Å; L134-P137 WeakPolarHBondContact O-CD 3.37Å; P137-W139 HydrophobicContact CB-CE3 4.3Å; P137-W139 HydrophobicContact CB-CH2 3.56Å; P137-W139 HydrophobicContact CB-CZ2 3.96Å; P137-W139 HydrophobicContact CB-CZ3 3.73Å; P137-W139 HydrophobicContact CG-CH2 3.41Å; P137-W139 VanDerWaalsContact CG-CH2 3.41Å; P137-W139 HydrophobicContact CG-CZ2 4.21Å; P137-W139 HydrophobicContact CG-CZ3 3.67Å
138	V	87.2	Confident	75.7	Confident	74 Å²	74	61 Å²	61	45%	0.448	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.9	170.7	-175.3	0	0	0	0	107.2	Y73 R74 V127 M136 D140	Y73-V138 CarbonylContact O-C 3.56Å; Y73-V138 WeakPolarHBondContact O-CA 3.48Å; R74-V138 HydrophobicContact CB-CB 4.29Å; R74-V138 HydrophobicContact CB-CG1 4.34Å; R74-V138 HydrophobicContact CB-CG2 3.93Å; V127-V138 WeakPolarHBondContact CG2-O 3.39Å; M136-V138 PolarHBondContact O-N 3Å; V138-D140 HydrophobicContact CG1-CB 4.38Å
139	W	87.9	Confident	76.9	Confident	28 Å²	28	56.3 Å²	56.3	11%	0.106	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-41.7	174	-69.2	-90.5	0	0	0	111.4	I72 Y73 T75 L87 V89 T124 K125 V127 P137 E141 L290	I72-W139 HydrophobicContact CG2-CB 4.3Å; I72-W139 HydrophobicContact CG2-CD2 4.28Å; I72-W139 HydrophobicContact CG2-CE3 4.1Å; I72-W139 HydrophobicContact CG2-CG 4.38Å; Y73-W139 PolarHBondContact O-N 3.2Å; T75-W139 HydrophobicContact CG2-CZ3 4.19Å; L87-W139 HydrophobicContact CB-CZ2 4.34Å; V89-W139 HydrophobicContact CG2-CD2 4.25Å; V89-W139 HydrophobicContact CG2-CE3 4.33Å; V89-W139 HydrophobicContact CG2-CH2 3.73Å; V89-W139 HydrophobicContact CG2-CZ2 3.65Å; V89-W139 HydrophobicContact CG2-CZ3 4.09Å; T124-W139 PolarHBondContact OG1-NE1 2.91Å; T124-W139 VanDerWaalsContact OG1-NE1 3.16Å; K125-W139 VanDerWaalsContact O-CD1 3.3Å; K125-W139 PolarHBondContact O-NE1 3.07Å; V127-W139 HydrophobicContact CG2-CD2 4.05Å; V127-W139 HydrophobicContact CG2-CG 4.04Å; V127-W139 HydrophobicContact CG2-CZ2 4.39Å; P137-W139 HydrophobicContact CB-CE3 4.3Å; P137-W139 HydrophobicContact CB-CH2 3.56Å; P137-W139 HydrophobicContact CB-CZ2 3.96Å; P137-W139 HydrophobicContact CB-CZ3 3.73Å; P137-W139 HydrophobicContact CG-CH2 3.41Å; P137-W139 VanDerWaalsContact CG-CH2 3.41Å; P137-W139 HydrophobicContact CG-CZ2 4.21Å; P137-W139 HydrophobicContact CG-CZ3 3.67Å; W139-E141 HydrophobicContact CB-CB 4.15Å; W139-E141 PolarHBondContact O-N 3.03Å; W139-E141 VanDerWaalsContact O-N 3.08Å; W139-L290 HydrophobicContact CZ3-CD1 4.42Å
140	D	85.8	Confident	77.9	Confident	100 Å²	100	59.5 Å²	59.5	54%	0.535	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	36.8	45.1	-168.1	-75.2	-24.8	0	0	0	112.8	I72 Y73 V138	I72-D140 CarbonylContact O-C 3.6Å; I72-D140 VanDerWaalsContact O-CA 3.32Å; I72-D140 WeakPolarHBondContact O-CA 3.48Å; I72-D140 PolarHBondContact O-N 2.78Å; I72-D140 VanDerWaalsContact O-N 3.13Å; Y73-D140 VanDerWaalsContact CA-OD1 3.22Å; Y73-D140 WeakPolarHBondContact CA-OD1 3.37Å; Y73-D140 VanDerWaalsContact CB-OD1 3.27Å; Y73-D140 WeakPolarHBondContact CB-OD1 3.3Å; Y73-D140 VanDerWaalsContact CD1-OD1 3.27Å; Y73-D140 WeakPolarHBondContact CD1-OD1 3.34Å; Y73-D140 PolarHBondContact O-N 2.97Å; V138-D140 HydrophobicContact CG1-CB 4.38Å
141	E	87.8	Confident	78.5	Confident	25 Å²	25	53.6 Å²	53.6	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139	-171.5	179	160.5	-136.7	0	0	112.1	I71 I72 T124 K125 W139 I143	I71-E141 CarbonylContact C-O 3.58Å; I71-E141 WeakPolarHBondContact CA-O 3.4Å; I72-E141 PolarHBondContact N-O 3.48Å; I72-E141 PolarHBondContact O-N 3.47Å; T124-E141 VanDerWaalsContact CA-OE2 3.22Å; T124-E141 WeakPolarHBondContact CA-OE2 3.33Å; T124-E141 WeakPolarHBondContact CB-OE2 3.45Å; K125-E141 WeakPolarHBondContact CG-OE1 3.28Å; K125-E141 PolarHBondContact N-OE2 2.8Å; K125-E141 IonicContact NZ-OE1 2.68Å; K125-E141 PolarHBondContact NZ-OE1 3.29Å; W139-E141 HydrophobicContact CB-CB 4.15Å; W139-E141 PolarHBondContact O-N 3.03Å; W139-E141 VanDerWaalsContact O-N 3.08Å; E141-I143 HydrophobicContact CG-CG1 4.44Å
142	I	86.9	Confident	79.4	Confident	94 Å²	94	48.4 Å²	48.4	48%	0.482	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.8	175.6	-55.9	179.7	0	0	0	108.8	E69 I71 I144	E69-I142 HydrophobicContact CG-CG2 3.36Å; E69-I142 WeakPolarHBondContact OE1-CG2 3.24Å; I71-I142 HydrophobicContact CG1-CG1 4.3Å; I71-I142 HydrophobicContact CG2-CG1 4.33Å; I142-I144 HydrophobicContact CG2-CG1 4.08Å
143	I	87.3	Confident	80.1	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.2	171.6	-70.9	169.5	0	0	0	108.1	I70 I72 I91 V122 T124 E141 I145	I70-I143 HydrophobicContact CB-CB 4.48Å; I70-I143 PolarHBondContact N-O 2.71Å; I70-I143 PolarHBondContact O-N 2.91Å; I72-I143 HydrophobicContact CG1-CD1 4.47Å; I91-I143 HydrophobicContact CD1-CD1 3.62Å; V122-I143 HydrophobicContact CG1-CD1 4.21Å; V122-I143 HydrophobicContact CG1-CG2 3.83Å; T124-I143 HydrophobicContact CG2-CD1 3.92Å; E141-I143 HydrophobicContact CG-CG1 4.44Å; I143-I145 HydrophobicContact CG2-CG1 4.18Å
144	I	84.6	Confident	80.6	Confident	101 Å²	101	45.1 Å²	45.1	52%	0.518	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	177.8	-60.2	177.4	0	0	0	107.9	I67 E69 I142	I67-I144 HydrophobicContact CD1-CG2 3.45Å; I67-I144 VanDerWaalsContact CD1-CG2 3.45Å; I67-I144 HydrophobicContact CG1-CG2 4.27Å; E69-I144 HydrophobicContact CG-CG1 4.25Å; I142-I144 HydrophobicContact CG2-CG1 4.08Å
145	I	82.3	Confident	80.7	Confident	15 Å²	15	47.7 Å²	47.7	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.9	176	-62.2	177.9	0	0	0	107.4	L68 I70 I93 V122 I143 E147 F152	L68-I145 HydrophobicContact CB-CB 4.34Å; L68-I145 HydrophobicContact CD2-CB 4.44Å; L68-I145 HydrophobicContact CD2-CD1 4.21Å; L68-I145 PolarHBondContact N-O 3.41Å; L68-I145 PolarHBondContact O-N 3.39Å; I70-I145 HydrophobicContact CD1-CD1 3.88Å; I93-I145 HydrophobicContact CD1-CD1 3.42Å; I93-I145 VanDerWaalsContact CD1-CD1 3.42Å; V122-I145 HydrophobicContact CG2-CD1 4.41Å; I143-I145 HydrophobicContact CG2-CG1 4.18Å; I145-E147 HydrophobicContact CG2-CB 4.27Å; I145-E147 HydrophobicContact CG2-CG 4.24Å; I145-E147 PolarHBondContact O-N 2.8Å; I145-F152 HydrophobicContact CG2-CZ 4.16Å
146	N	75.7	Confident	80.6	Confident	88 Å²	88	53.8 Å²	53.8	47%	0.471	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	20.4	-167.1	-165.3	30.5	0	0	0	114.4	R299	N146-R299 PolarHBondContact O-NH2 3.24Å; N146-R299 PolarHBondContact OD1-NE 3.17Å; N146-R299 PolarHBondContact OD1-NH2 3.09Å
147	E	75.8	Confident	80.7	Confident	40 Å²	40	54.5 Å²	54.5	19%	0.187	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	157.2	175.9	-67.5	-60	139.6	0	0	110.4	D105 V119 I145 F149 F152	D105-E147 PolarHBondContact N-OE2 3.45Å; V119-E147 HydrophobicContact CG2-CG 4.24Å; I145-E147 HydrophobicContact CG2-CB 4.27Å; I145-E147 HydrophobicContact CG2-CG 4.24Å; I145-E147 PolarHBondContact O-N 2.8Å; E147-F149 PolarHBondContact O-N 2.91Å; E147-F152 HydrophobicContact CB-CE2 3.57Å; E147-F152 HydrophobicContact CB-CZ 3.6Å; E147-F152 HydrophobicContact CG-CZ 4.22Å
148	S	74	Confident	81	Confident	25 Å²	25	54.5 Å²	54.5	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.2	-178.9	-174.9	0	0	0	0	111.4	R150 T151 F152	S148-R150 PolarHBondContact O-N 3.21Å; S148-R150 VanDerWaalsContact O-N 3.07Å; S148-R150 PolarHBondContact OG-N 2.91Å; S148-T151 WeakPolarHBondContact O-CB 3.27Å; S148-T151 PolarHBondContact O-N 3.44Å; S148-F152 WeakPolarHBondContact O-CD2 3.49Å
149	F	81.4	Confident	81.2	Confident	12 Å²	12	51 Å²	51	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-29.9	176.6	-173.9	-105.4	0	0	0	111.9	G66 L68 E147 F152 A153 L207 A209 E296	G66-F149 WeakPolarHBondContact O-CB 3.39Å; G66-F149 PolarHBondContact O-N 2.73Å; L68-F149 HydrophobicContact CB-CD2 4.29Å; L68-F149 HydrophobicContact CD1-CD2 3.77Å; L68-F149 HydrophobicContact CD1-CE2 3.76Å; E147-F149 PolarHBondContact O-N 2.91Å; F149-F152 PolarHBondContact O-N 3.2Å; F149-A153 HydrophobicContact CD1-CB 4.19Å; F149-A153 HydrophobicContact CE1-CB 4Å; F149-A153 VanDerWaalsContact O-CB 3.27Å; F149-A153 WeakPolarHBondContact O-CB 3.4Å; F149-A153 PolarHBondContact O-N 3.23Å; F149-L207 HydrophobicContact CE1-CD2 3.71Å; F149-L207 HydrophobicContact CZ-CD2 3.67Å; F149-A209 HydrophobicContact CE2-CB 4.43Å; F149-A209 HydrophobicContact CZ-CB 3.87Å; F149-E296 HydrophobicContact CB-CB 4.41Å; F149-E296 HydrophobicContact CB-CG 3.87Å; F149-E296 HydrophobicContact CD1-CB 3.63Å; F149-E296 VanDerWaalsContact CD1-CD 3.44Å; F149-E296 HydrophobicContact CD1-CG 3.7Å; F149-E296 HydrophobicContact CD2-CB 4.08Å; F149-E296 HydrophobicContact CD2-CG 4.45Å; F149-E296 HydrophobicContact CE1-CB 3.8Å; F149-E296 HydrophobicContact CE1-CG 4.35Å; F149-E296 HydrophobicContact CE2-CB 4.23Å; F149-E296 HydrophobicContact CG-CB 3.78Å; F149-E296 HydrophobicContact CG-CG 3.75Å; F149-E296 HydrophobicContact CZ-CB 4.09Å
150	R	74.9	Confident	81.5	Confident	138 Å²	138	49.8 Å²	49.8	52%	0.521	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-40	176.4	-65.4	177.7	174.2	160.6	5	113	D65 S148 F152 A153 S154	D65-R150 IonicContact OD1-CZ 3.56Å; D65-R150 VanDerWaalsContact OD1-CZ 3.23Å; D65-R150 IonicContact OD1-NE 2.75Å; D65-R150 IonicContact OD1-NH1 2.71Å; D65-R150 PolarHBondContact OD1-NH1 2.7Å; D65-R150 IonicContact OD1-NH2 3.86Å; S148-R150 PolarHBondContact O-N 3.21Å; S148-R150 VanDerWaalsContact O-N 3.07Å; S148-R150 PolarHBondContact OG-N 2.91Å; R150-F152 PolarHBondContact O-N 2.92Å; R150-A153 PolarHBondContact O-N 3.46Å; R150-S154 WeakPolarHBondContact O-CB 3.48Å; R150-S154 PolarHBondContact O-N 2.81Å; R150-S154 PolarHBondContact O-OG 3.07Å
151	T	72.7	Confident	81.9	Confident	32 Å²	32	45 Å²	45	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-31.5	179.5	-55.2	0	0	0	0	111.5	D105 S148 N155	D105-T151 WeakPolarHBondContact OD2-CG2 3.26Å; D105-T151 PolarHBondContact OD2-OG1 2.98Å; S148-T151 WeakPolarHBondContact O-CB 3.27Å; S148-T151 PolarHBondContact O-N 3.44Å; T151-N155 PolarHBondContact O-ND2 3.42Å
152	F	79.5	Confident	82.1	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-82.4	-49.4	171.1	-52.1	-75.1	0	0	0	112.8	L68 I93 I102 I145 E147 S148 F149 R150 S154 N155 V158 L200	L68-F152 HydrophobicContact CB-CD2 4.1Å; L68-F152 HydrophobicContact CB-CE2 3.94Å; L68-F152 HydrophobicContact CD2-CD1 4.37Å; L68-F152 HydrophobicContact CD2-CD2 3.77Å; L68-F152 HydrophobicContact CD2-CE1 4.32Å; L68-F152 HydrophobicContact CD2-CE2 3.7Å; L68-F152 HydrophobicContact CD2-CG 4.11Å; L68-F152 HydrophobicContact CD2-CZ 3.99Å; L68-F152 HydrophobicContact CG-CD2 4.44Å; L68-F152 HydrophobicContact CG-CE2 4.45Å; I93-F152 HydrophobicContact CG2-CD1 4.2Å; I93-F152 HydrophobicContact CG2-CE1 4.13Å; I102-F152 HydrophobicContact CD1-CD1 3.73Å; I102-F152 HydrophobicContact CD1-CE1 4Å; I102-F152 HydrophobicContact CG2-CE1 4.39Å; I145-F152 HydrophobicContact CG2-CZ 4.16Å; E147-F152 HydrophobicContact CB-CE2 3.57Å; E147-F152 HydrophobicContact CB-CZ 3.6Å; E147-F152 HydrophobicContact CG-CZ 4.22Å; S148-F152 WeakPolarHBondContact O-CD2 3.49Å; F149-F152 PolarHBondContact O-N 3.2Å; R150-F152 PolarHBondContact O-N 2.92Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-S154 PolarHBondContact O-N 3.26Å; F152-N155 PolarHBondContact O-N 2.74Å; F152-V158 WeakPolarHBondContact O-CG2 3.45Å; F152-L200 HydrophobicContact CB-CD2 3.54Å
153	A	75.3	Confident	82.3	Confident	28 Å²	28	39.9 Å²	39.9	23%	0.231	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-21.8	-170.8	0	0	0	0	0	114.4	F149 R150 L207	F149-A153 HydrophobicContact CD1-CB 4.19Å; F149-A153 HydrophobicContact CE1-CB 4Å; F149-A153 VanDerWaalsContact O-CB 3.27Å; F149-A153 WeakPolarHBondContact O-CB 3.4Å; F149-A153 PolarHBondContact O-N 3.23Å; R150-A153 PolarHBondContact O-N 3.46Å; A153-L207 HydrophobicContact CB-CD1 3.8Å; A153-L207 HydrophobicContact CB-CD2 3.97Å
154	S	73.5	Confident	82.4	Confident	86 Å²	86	39.3 Å²	39.3	60%	0.601	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.2	174.3	61.4	0	0	0	0	113.4	R150 F152	R150-S154 WeakPolarHBondContact O-CB 3.48Å; R150-S154 PolarHBondContact O-N 2.81Å; R150-S154 PolarHBondContact O-OG 3.07Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-S154 PolarHBondContact O-N 3.26Å
155	N	75.1	Confident	82.3	Confident	58 Å²	58	35 Å²	35	31%	0.31	18%	0.181	S	C	.	.			trans	-89.8	113.2	-173.9	-80.4	-52.4	0	0	0	111.1	T151 F152 N157 V158	T151-N155 PolarHBondContact O-ND2 3.42Å; F152-N155 PolarHBondContact O-N 2.74Å; N155-N157 PolarHBondContact O-N 3.35Å; N155-N157 VanDerWaalsContact O-N 3.09Å; N155-V158 HydrophobicContact CB-CG2 3.66Å; N155-V158 WeakPolarHBondContact O-CG2 3.31Å; N155-V158 PolarHBondContact O-N 3.18Å
156	K	78.6	Confident	82	Confident	149 Å²	149	35 Å²	35	65%	0.648	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.8	-178.7	-68.3	-179.2	-179.8	175.1	0	114.7	T201	K156-T201 VanDerWaalsContact CA-OG1 3.27Å; K156-T201 WeakPolarHBondContact CA-OG1 3.34Å; K156-T201 PolarHBondContact O-OG1 3Å
157	N	85.4	Confident	81.5	Confident	36 Å²	36	31.8 Å²	31.8	19%	0.193	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.3	-172.3	-54.8	-27.1	0	0	0	113.1	D95 T96 E97 N155 I159	D95-N157 WeakPolarHBondContact OD1-CB 3.48Å; T96-N157 WeakPolarHBondContact CG2-O 3.16Å; T96-N157 PolarHBondContact N-O 3.11Å; T96-N157 PolarHBondContact OG1-O 3.48Å; E97-N157 HydrophobicContact CB-CB 4.32Å; E97-N157 WeakPolarHBondContact CB-ND2 3.32Å; E97-N157 PolarHBondContact OE2-ND2 3.48Å; N155-N157 PolarHBondContact O-N 3.35Å; N155-N157 VanDerWaalsContact O-N 3.09Å; N157-I159 PolarHBondContact O-N 3.47Å
158	V	89.8	Confident	80.4	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.9	-177.1	177.9	0	0	0	0	110.3	I93 I102 F152 N155 L160 L200	I93-V158 HydrophobicContact CG2-CG1 3.84Å; I102-V158 HydrophobicContact CD1-CB 4.37Å; I102-V158 HydrophobicContact CD1-CG1 3.93Å; I102-V158 HydrophobicContact CD1-CG2 3.66Å; F152-V158 WeakPolarHBondContact O-CG2 3.45Å; N155-V158 HydrophobicContact CB-CG2 3.66Å; N155-V158 WeakPolarHBondContact O-CG2 3.31Å; N155-V158 PolarHBondContact O-N 3.18Å; V158-L160 HydrophobicContact CG1-CD1 4.3Å; V158-L200 HydrophobicContact CB-CB 4.03Å; V158-L200 HydrophobicContact CB-CD2 4.38Å; V158-L200 HydrophobicContact CG1-CB 3.98Å; V158-L200 HydrophobicContact CG1-CD2 4.05Å; V158-L200 PolarHBondContact O-N 2.78Å
159	I	91.4	Very high	78.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.4	170.9	-166.6	161	0	0	0	110.1	M94 T96 N157 F161 F197 L199 W276	M94-I159 HydrophobicContact CB-CG2 4.12Å; M94-I159 PolarHBondContact N-O 3.43Å; M94-I159 PolarHBondContact O-N 2.84Å; T96-I159 HydrophobicContact CG2-CB 3.81Å; T96-I159 HydrophobicContact CG2-CD1 4.35Å; T96-I159 HydrophobicContact CG2-CG2 3.52Å; N157-I159 PolarHBondContact O-N 3.47Å; I159-F161 HydrophobicContact CD1-CE1 3.91Å; I159-F161 HydrophobicContact CD1-CE2 4.27Å; I159-F161 HydrophobicContact CD1-CZ 3.63Å; I159-F161 HydrophobicContact CG1-CE1 4.36Å; I159-F161 HydrophobicContact CG1-CE2 4.24Å; I159-F161 HydrophobicContact CG1-CZ 4.06Å; I159-F161 HydrophobicContact CG2-CD2 4.26Å; I159-F161 HydrophobicContact CG2-CE2 3.58Å; I159-F161 HydrophobicContact CG2-CZ 4.02Å; I159-F197 HydrophobicContact CD1-CB 4.19Å; I159-F197 HydrophobicContact CD1-CD2 4.12Å; I159-F197 HydrophobicContact CD1-CG 4.43Å; I159-F197 HydrophobicContact CG1-CB 4.38Å; I159-L199 HydrophobicContact CB-CD2 4.03Å; I159-L199 HydrophobicContact CD1-CD2 4.1Å; I159-L199 HydrophobicContact CG1-CD2 4.18Å; I159-W276 HydrophobicContact CD1-CD2 3.82Å; I159-W276 VanDerWaalsContact CD1-CE2 3.47Å; I159-W276 HydrophobicContact CD1-CG 4.01Å; I159-W276 HydrophobicContact CD1-CZ2 3.92Å
160	L	93.4	Very high	76.4	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.6	167.4	-64.4	92.1	0	0	0	108.7	I70 I91 H92 I93 V158 F162 F197 L198 L200 I294	I70-L160 HydrophobicContact CD1-CD2 3.64Å; I91-L160 HydrophobicContact CG2-CD2 4.5Å; H92-L160 CarbonylContact O-C 3.57Å; H92-L160 VanDerWaalsContact O-CA 3.3Å; H92-L160 WeakPolarHBondContact O-CA 3.29Å; I93-L160 HydrophobicContact CD1-CD2 4.07Å; I93-L160 HydrophobicContact CD1-CG 4.48Å; I93-L160 HydrophobicContact CG1-CD2 4.16Å; I93-L160 HydrophobicContact CG1-CG 4.18Å; I93-L160 HydrophobicContact CG2-CG 4.49Å; V158-L160 HydrophobicContact CG1-CD1 4.3Å; L160-F162 HydrophobicContact CB-CE2 3.86Å; L160-F162 HydrophobicContact CB-CZ 3.94Å; L160-F162 HydrophobicContact CD2-CZ 4.3Å; L160-F197 CarbonylContact O-C 3.5Å; L160-F197 WeakPolarHBondContact O-CA 3.49Å; L160-L198 PolarHBondContact N-O 2.83Å; L160-L198 PolarHBondContact O-N 3.38Å; L160-L200 HydrophobicContact CD1-CB 4.17Å; L160-L200 HydrophobicContact CD1-CD1 4.47Å; L160-I294 HydrophobicContact CD1-CD1 4.03Å; L160-I294 HydrophobicContact CD2-CD1 3.8Å
161	F	93.8	Very high	74.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.3	167.4	-65.5	-75.6	0	0	0	110.3	I91 H92 M94 I159 W195 F197 L272 L273 W276	I91-F161 VanDerWaalsContact CA-O 3.32Å; I91-F161 WeakPolarHBondContact CA-O 3.43Å; H92-F161 HydrophobicContact CB-CB 4.24Å; H92-F161 PolarHBondContact N-O 3.28Å; H92-F161 PolarHBondContact O-N 2.78Å; M94-F161 HydrophobicContact SD-CD2 4.18Å; M94-F161 HydrophobicContact SD-CE2 4.15Å; I159-F161 HydrophobicContact CD1-CE1 3.91Å; I159-F161 HydrophobicContact CD1-CE2 4.27Å; I159-F161 HydrophobicContact CD1-CZ 3.63Å; I159-F161 HydrophobicContact CG1-CE1 4.36Å; I159-F161 HydrophobicContact CG1-CE2 4.24Å; I159-F161 HydrophobicContact CG1-CZ 4.06Å; I159-F161 HydrophobicContact CG2-CD2 4.26Å; I159-F161 HydrophobicContact CG2-CE2 3.58Å; I159-F161 HydrophobicContact CG2-CZ 4.02Å; F161-W195 HydrophobicContact CD1-CE3 4.35Å; F161-W195 HydrophobicContact CD1-CZ3 4.25Å; F161-W195 HydrophobicContact CE1-CZ3 4.15Å; F161-F197 HydrophobicContact CD1-CB 3.65Å; F161-F197 HydrophobicContact CE1-CB 3.78Å; F161-L272 HydrophobicContact CB-CD1 4.09Å; F161-L272 HydrophobicContact CD1-CB 3.97Å; F161-L272 HydrophobicContact CD2-CB 4.39Å; F161-L272 HydrophobicContact CE1-CB 4.26Å; F161-L272 HydrophobicContact CG-CB 4.06Å; F161-L272 HydrophobicContact CG-CD1 4.48Å; F161-L273 HydrophobicContact CE2-CB 4.06Å; F161-L273 HydrophobicContact CE2-CD1 4.14Å; F161-L273 HydrophobicContact CZ-CB 4.22Å; F161-L273 HydrophobicContact CZ-CD1 4.06Å; F161-W276 HydrophobicContact CE1-CB 3.91Å; F161-W276 HydrophobicContact CE1-CG 4.19Å; F161-W276 HydrophobicContact CZ-CB 3.96Å; F161-W276 HydrophobicContact CZ-CG 4.24Å
162	F	93.8	Very high	71.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.7	177.3	-54.6	-93.8	0	0	0	108.2	I70 I72 V89 R90 I91 L160 W195 A196 L198 L216 L290 V292	I70-F162 HydrophobicContact CG2-CE1 4.41Å; I72-F162 HydrophobicContact CD1-CD1 4.02Å; I72-F162 HydrophobicContact CD1-CE1 3.81Å; V89-F162 HydrophobicContact CG1-CB 3.96Å; V89-F162 HydrophobicContact CG1-CD1 4.29Å; R90-F162 CarbonylContact O-C 3.5Å; R90-F162 WeakPolarHBondContact O-CA 3.43Å; I91-F162 HydrophobicContact CD1-CD1 4.24Å; I91-F162 HydrophobicContact CD1-CE1 4.14Å; I91-F162 HydrophobicContact CG1-CD1 4Å; I91-F162 HydrophobicContact CG1-CE1 4.31Å; I91-F162 HydrophobicContact CG2-CD1 4.38Å; I91-F162 HydrophobicContact CG2-CE1 4.19Å; L160-F162 HydrophobicContact CB-CE2 3.86Å; L160-F162 HydrophobicContact CB-CZ 3.94Å; L160-F162 HydrophobicContact CD2-CZ 4.3Å; F162-W195 CarbonylContact O-C 3.6Å; F162-W195 WeakPolarHBondContact O-CA 3.31Å; F162-A196 HydrophobicContact CB-CB 4.39Å; F162-A196 HydrophobicContact CD2-CB 4.47Å; F162-A196 PolarHBondContact N-O 3.5Å; F162-A196 PolarHBondContact O-N 2.62Å; F162-L198 HydrophobicContact CE2-CB 4.11Å; F162-L216 HydrophobicContact CD2-CD1 3.67Å; F162-L216 HydrophobicContact CE2-CD1 3.49Å; F162-L216 VanDerWaalsContact CE2-CD1 3.49Å; F162-L216 HydrophobicContact CZ-CD1 4.21Å; F162-L290 HydrophobicContact CB-CD2 3.68Å; F162-L290 HydrophobicContact CD1-CD2 4.08Å; F162-L290 HydrophobicContact CG-CD2 3.89Å; F162-V292 HydrophobicContact CE1-CG1 4.19Å; F162-V292 HydrophobicContact CZ-CG1 4.46Å
163	E	90.1	Very high	69.3	Low	12 Å²	12	53.2 Å²	53.2	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.7	-178.2	-173.4	-177.3	-154.3	0	0	109.3	V89 R90 H92 L165 M192 S268 L272	V89-E163 CarbonylContact C-O 3.53Å; V89-E163 WeakPolarHBondContact CA-O 3.32Å; R90-E163 HydrophobicContact CB-CB 4.31Å; R90-E163 WeakPolarHBondContact CD-OE2 3.47Å; R90-E163 IonicContact CZ-OE2 3.39Å; R90-E163 PolarHBondContact N-O 3.16Å; R90-E163 IonicContact NE-OE2 3.86Å; R90-E163 IonicContact NH1-OE2 3.67Å; R90-E163 PolarHBondContact NH1-OE2 3.02Å; R90-E163 PolarHBondContact O-N 3.26Å; H92-E163 IonicContact NE2-OE2 2.64Å; E163-L165 HydrophobicContact CG-CD1 4.18Å; E163-L165 HydrophobicContact CG-CD2 4.13Å; E163-L165 HydrophobicContact CG-CG 3.96Å; E163-M192 HydrophobicContact CG-CE 4.27Å; E163-M192 HydrophobicContact CG-CG 4.23Å; E163-S268 PolarHBondContact OE2-OG 3.13Å; E163-L272 HydrophobicContact CB-CD1 4.15Å; E163-L272 HydrophobicContact CG-CD1 4.47Å
164	I	88.6	Confident	66.9	Low	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.8	179.1	-54.7	-175.4	0	0	0	109.1	T75 L78 L87 F88 V89 T193 A194 L218	T75-I164 HydrophobicContact CG2-CD1 3.75Å; L78-I164 HydrophobicContact CD1-CG2 4.37Å; L87-I164 HydrophobicContact CD2-CG2 4.4Å; F88-I164 WeakPolarHBondContact O-CA 2.85Å; V89-I164 HydrophobicContact CG2-CG1 4.44Å; I164-T193 PolarHBondContact O-N 2.81Å; I164-A194 PolarHBondContact N-O 3.22Å; I164-L218 HydrophobicContact CD1-CD1 4.02Å; I164-L218 HydrophobicContact CD1-CD2 3.76Å; I164-L218 HydrophobicContact CG1-CD2 4.45Å
165	L	83.7	Confident	64.5	Low	11 Å²	11	64.8 Å²	64.8	6%	0.058	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.8	-169.9	-68.6	162.2	0	0	0	112	L87 F88 R90 E163 L191 M192	L87-L165 WeakPolarHBondContact CA-O 3.39Å; F88-L165 HydrophobicContact CD1-CB 4.05Å; F88-L165 HydrophobicContact CE1-CB 3.5Å; F88-L165 HydrophobicContact CE1-CD1 4.42Å; F88-L165 HydrophobicContact CE2-CB 4.05Å; F88-L165 HydrophobicContact CE2-CD1 3.64Å; F88-L165 HydrophobicContact CE2-CG 4.48Å; F88-L165 HydrophobicContact CZ-CB 3.51Å; F88-L165 HydrophobicContact CZ-CD1 3.55Å; F88-L165 HydrophobicContact CZ-CG 4.18Å; F88-L165 PolarHBondContact N-O 2.75Å; F88-L165 PolarHBondContact O-N 3.1Å; R90-L165 HydrophobicContact CB-CD1 4Å; E163-L165 HydrophobicContact CG-CD1 4.18Å; E163-L165 HydrophobicContact CG-CD2 4.13Å; E163-L165 HydrophobicContact CG-CG 3.96Å; L165-L191 WeakPolarHBondContact CA-O 3.24Å; L165-L191 HydrophobicContact CD2-CB 4.42Å; L165-M192 HydrophobicContact CD2-CB 4.34Å
166	D	76.1	Confident	62	Low	15 Å²	15	69.2 Å²	69.2	8%	0.08	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125	169.5	-174.3	11.9	0	0	0	110	T84 R85 H86 L87 T168 L191	T84-D166 WeakPolarHBondContact CA-OD2 3.32Å; T84-D166 WeakPolarHBondContact CB-OD2 3.22Å; T84-D166 HydrophobicContact CG2-CB 4.26Å; T84-D166 VanDerWaalsContact CG2-CG 3.5Å; T84-D166 WeakPolarHBondContact CG2-OD2 3.36Å; T84-D166 PolarHBondContact OG1-OD2 2.9Å; R85-D166 PolarHBondContact N-OD1 2.88Å; H86-D166 PolarHBondContact N-OD1 2.96Å; H86-D166 CarbonylContact O-C 3.58Å; H86-D166 WeakPolarHBondContact O-CA 3.34Å; L87-D166 HydrophobicContact CD2-CB 4.37Å; D166-T168 PolarHBondContact O-N 2.8Å; D166-L191 PolarHBondContact N-O 2.91Å; D166-L191 VanDerWaalsContact N-O 3.1Å; D166-L191 WeakPolarHBondContact O-CD2 3.23Å
167	S	64.5	Low	59.4	Low	20 Å²	20	69.3 Å²	69.3	14%	0.14	37%	0.365	C	S	.	.			trans	-91.9	90.2	177	-173.1	0	0	0	0	111.1	H86 E169	H86-S167 PolarHBondContact ND1-O 3.49Å; H86-S167 PolarHBondContact O-N 3.25Å; S167-E169 VanDerWaalsContact C-N 3.33Å; S167-E169 PolarHBondContact OG-OE2 2.78Å
168	T	52.4	Low	56.5	Low	55 Å²	55	75.4 Å²	75.4	34%	0.337	39%	0.392	S	S	.	.			trans	-93.9	17	171.7	67.7	0	0	0	0	113	D166 N170 L191	D166-T168 PolarHBondContact O-N 2.8Å; T168-N170 VanDerWaalsContact C-N 3.26Å; T168-N170 PolarHBondContact O-N 2.9Å; T168-N170 VanDerWaalsContact O-N 3.17Å; T168-L191 WeakPolarHBondContact OG1-CD2 3.2Å
169	E	38.7	Very low	53.4	Low	137 Å²	137	81.5 Å²	81.5	64%	0.64	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.9	-164.6	-65.9	177.4	128	0	0	114.9	S167	S167-E169 VanDerWaalsContact C-N 3.33Å; S167-E169 PolarHBondContact OG-OE2 2.78Å
170	N	32.4	Very low	50.3	Low	161 Å²	161	88.1 Å²	88.1	86%	0.861	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	22.7	-171	-95.6	-31.8	0	0	0	115.8	T168	T168-N170 VanDerWaalsContact C-N 3.26Å; T168-N170 PolarHBondContact O-N 2.9Å; T168-N170 VanDerWaalsContact O-N 3.17Å
171	I	29.5	Very low	47	Very low	96 Å²	96	97.3 Å²	97.3	49%	0.492	51%	0.505	S	S	.	.	S	Bend	trans	-115.6	-15.3	-179.7	-60.2	178.7	0	0	0	113.5	G173	I171-G173 PolarHBondContact O-N 2.87Å
172	F	25.3	Very low	44	Very low	184 Å²	184	102 Å²	102	81%	0.807	53%	0.533	S	S	*	.			trans	-91.5	15.1	-179.5	-83	-80	0	0	0	115.4
173	G	24.2	Very low	40.9	Very low	66 Å²	66	108.4 Å²	108.4	68%	0.68	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	119.4	165	0	0	0	0	0	111	I171	I171-G173 PolarHBondContact O-N 2.87Å
174	R	24.8	Very low	38	Very low	244 Å²	244	112.3 Å²	112.3	92%	0.921	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.1	58.5	-177	-51.1	178.1	174	-171.2	-1.2	117.4
175	C	23.7	Very low	35.2	Very low	113 Å²	113	115.5 Å²	115.5	76%	0.764	64%	0.639	S	S	*	*			trans	-132.2	105.3	147.4	-85.1	0	0	0	0	109.5
176	N	22.4	Very low	32.6	Very low	151 Å²	151	120.8 Å²	120.8	81%	0.807	66%	0.658	S	S	*	*			trans	-86.8	132.2	172.3	-72.2	-2.9	0	0	0	109.8
177	N	23.4	Very low	30.5	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	69%	0.692	S	S	*	*	S	Bend	trans	67.9	156.9	164.8	-55.7	-15.1	0	0	0	117.9
178	E	24.6	Very low	28.8	Very low	164 Å²	164	132.6 Å²	132.6	77%	0.766	72%	0.718	S	S	*	*			trans	70.6	101.3	165.2	-55.6	-152.1	-149.4	0	0	120.8
179	N	24.9	Very low	28.1	Very low	130 Å²	130	132 Å²	132	70%	0.695	72%	0.723	S	S	*	*				58	70.9	121.6	-60	-45.5	0	0	0	119.8
180	V	26.8	Very low	28.4	Very low	138 Å²	138	130.6 Å²	130.6	84%	0.836	73%	0.728	S	S	*	*			trans	-119	100.7	154.2	-175.9	0	0	0	0	110.4
181	K	24.3	Very low	29.7	Very low	196 Å²	196	126.5 Å²	126.5	85%	0.852	71%	0.706	S	S	*	*			trans	-86.3	120.3	178.4	-67.9	179	179.7	175.9	0	111
182	T	30.5	Very low	31.5	Very low	97 Å²	97	123.6 Å²	123.6	60%	0.595	69%	0.691	S	S	*	*			trans	-80.5	146.3	160.2	59.2	0	0	0	0	109.8	C184	T182-C184 PolarHBondContact O-N 2.95Å
183	S	29.2	Very low	33.8	Very low	136 Å²	136	116 Å²	116	95%	0.951	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	3.3	-172.6	51.5	0	0	0	0	115.7
184	C	29	Very low	36.8	Very low	93 Å²	93	112.8 Å²	112.8	63%	0.628	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	-2.7	-174.2	59.2	0	0	0	0	115.7	T182 R186	T182-C184 PolarHBondContact O-N 2.95Å; C184-R186 PolarHBondContact O-N 2.82Å
185	G	29	Very low	40	Very low	68 Å²	68	101.2 Å²	101.2	70%	0.701	58%	0.583	S	S	*	*			trans	58.4	45.9	163.1	0	0	0	0	0	117
186	R	30	Very low	43.4	Very low	122 Å²	122	95.9 Å²	95.9	46%	0.46	55%	0.547	S	S	.	.			trans	-134.7	128	177	-64.9	177.5	-162.1	-128.6	-9.6	112.5	C184 S226	C184-R186 PolarHBondContact O-N 2.82Å; R186-S226 PolarHBondContact NH1-O 3.05Å; R186-S226 PolarHBondContact NH2-O 2.85Å
187	N	30.4	Very low	46.8	Very low	149 Å²	149	90.8 Å²	90.8	80%	0.797	52%	0.518	S	S	*	.			trans	-106.3	176.2	155.4	-83.7	-38	0	0	0	108.6
188	I	29.2	Very low	50.1	Low	133 Å²	133	84.3 Å²	84.3	68%	0.682	48%	0.483	S	S	*	.	S	Bend	trans	73	100.4	-167.6	-47.2	167.6	0	0	0	111.4
189	G	37.2	Very low	53.2	Low	42 Å²	42	79.1 Å²	79.1	43%	0.433	46%	0.46	S	S	.	.			trans	146.6	-23.7	173.6	0	0	0	0	0	115.6	L191	G189-L191 VanDerWaalsContact C-N 3.3Å; G189-L191 PolarHBondContact O-N 3.41Å; G189-L191 VanDerWaalsContact O-N 3.15Å
190	S	46.2	Very low	56.2	Low	108 Å²	108	73 Å²	73	76%	0.755	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	0.9	-164	-39.5	0	0	0	0	117.4
191	L	59	Low	58.9	Low	75 Å²	75	66.9 Å²	66.9	39%	0.393	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-16.4	-169.9	-66	163.8	0	0	0	113.9	L165 D166 T168 G189	L165-L191 WeakPolarHBondContact CA-O 3.24Å; L165-L191 HydrophobicContact CD2-CB 4.42Å; D166-L191 PolarHBondContact N-O 2.91Å; D166-L191 VanDerWaalsContact N-O 3.1Å; D166-L191 WeakPolarHBondContact O-CD2 3.23Å; T168-L191 WeakPolarHBondContact OG1-CD2 3.2Å; G189-L191 VanDerWaalsContact C-N 3.3Å; G189-L191 PolarHBondContact O-N 3.41Å; G189-L191 VanDerWaalsContact O-N 3.15Å
192	M	67	Low	61.4	Low	35 Å²	35	59.5 Å²	59.5	17%	0.172	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.4	-172.4	-173.9	-171.8	-179.6	0	0	110.2	E163 L165 W195 P221 L272	E163-M192 HydrophobicContact CG-CE 4.27Å; E163-M192 HydrophobicContact CG-CG 4.23Å; L165-M192 HydrophobicContact CD2-CB 4.34Å; M192-W195 HydrophobicContact CE-CB 3.58Å; M192-W195 HydrophobicContact CE-CG 3.6Å; M192-P221 HydrophobicContact CB-CB 4.39Å; M192-P221 HydrophobicContact CE-CB 4.46Å; M192-P221 HydrophobicContact CG-CB 4.14Å; M192-P221 HydrophobicContact SD-CB 3.69Å; M192-L272 HydrophobicContact CE-CD2 3.72Å
193	T	73.8	Confident	63.6	Low	24 Å²	24	60.7 Å²	60.7	15%	0.147	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-49.3	-177.6	-61.7	0	0	0	0	111.4	I164 Y286	I164-T193 PolarHBondContact O-N 2.81Å; T193-Y286 WeakPolarHBondContact O-CE2 3.46Å
194	A	87.4	Confident	65.7	Low	0 Å²	0	60 Å²	60	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	168.7	-179.4	0	0	0	0	0	110.8	I164 L218 Y219 Y286	I164-A194 PolarHBondContact N-O 3.22Å; A194-L218 HydrophobicContact CB-CB 4.23Å; A194-L218 HydrophobicContact CB-CD1 4.36Å; A194-L218 HydrophobicContact CB-CD2 3.99Å; A194-L218 HydrophobicContact CB-CG 4.43Å; A194-Y219 WeakPolarHBondContact CA-O 3.35Å; A194-Y286 HydrophobicContact CB-CD1 4.43Å; A194-Y286 HydrophobicContact CB-CD2 3.72Å; A194-Y286 HydrophobicContact CB-CE2 3.85Å; A194-Y286 HydrophobicContact CB-CG 4.02Å
195	W	92.6	Very high	67.9	Low	1 Å²	1	57.6 Å²	57.6	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.3	173.7	63.3	-72.1	0	0	0	113.9	F161 F162 M192 F197 L218 Y219 E220 L272 C275 R283	F161-W195 HydrophobicContact CD1-CE3 4.35Å; F161-W195 HydrophobicContact CD1-CZ3 4.25Å; F161-W195 HydrophobicContact CE1-CZ3 4.15Å; F162-W195 CarbonylContact O-C 3.6Å; F162-W195 WeakPolarHBondContact O-CA 3.31Å; M192-W195 HydrophobicContact CE-CB 3.58Å; M192-W195 HydrophobicContact CE-CG 3.6Å; W195-F197 AromaticContact CZ3-CD1 3.99Å; W195-F197 HydrophobicContact CZ3-CD1 3.99Å; W195-L218 CarbonylContact O-C 3.52Å; W195-L218 WeakPolarHBondContact O-CA 3.46Å; W195-Y219 PolarHBondContact N-O 2.94Å; W195-Y219 PolarHBondContact O-N 2.83Å; W195-E220 PolarHBondContact NE1-O 3.3Å; W195-L272 HydrophobicContact CB-CD2 3.87Å; W195-L272 HydrophobicContact CD2-CD2 3.52Å; W195-L272 HydrophobicContact CE3-CD2 3.61Å; W195-L272 HydrophobicContact CG-CD2 3.67Å; W195-L272 HydrophobicContact CZ3-CD2 4.23Å; W195-C275 HydrophobicContact CH2-CB 3.98Å; W195-C275 HydrophobicContact CZ2-CB 3.99Å; W195-R283 HydrophobicContact CH2-CG 3.94Å; W195-R283 HydrophobicContact CZ2-CG 3.95Å
196	A	94	Very high	70.3	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	169.5	172.1	0	0	0	0	0	110.9	F162 L216 L218	F162-A196 HydrophobicContact CB-CB 4.39Å; F162-A196 HydrophobicContact CD2-CB 4.47Å; F162-A196 PolarHBondContact N-O 3.5Å; F162-A196 PolarHBondContact O-N 2.62Å; A196-L216 HydrophobicContact CB-CB 3.91Å; A196-L216 HydrophobicContact CB-CD1 4.27Å; A196-L218 HydrophobicContact CB-CD2 3.96Å
197	F	93.9	Very high	72.8	Confident	44 Å²	44	57.4 Å²	57.4	19%	0.193	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156	172.7	68.2	-89.7	0	0	0	111.6	I159 L160 F161 W195 Y219 W276	I159-F197 HydrophobicContact CD1-CB 4.19Å; I159-F197 HydrophobicContact CD1-CD2 4.12Å; I159-F197 HydrophobicContact CD1-CG 4.43Å; I159-F197 HydrophobicContact CG1-CB 4.38Å; L160-F197 CarbonylContact O-C 3.5Å; L160-F197 WeakPolarHBondContact O-CA 3.49Å; F161-F197 HydrophobicContact CD1-CB 3.65Å; F161-F197 HydrophobicContact CE1-CB 3.78Å; W195-F197 AromaticContact CZ3-CD1 3.99Å; W195-F197 HydrophobicContact CZ3-CD1 3.99Å; F197-Y219 HydrophobicContact CD1-CD2 4.35Å; F197-Y219 AromaticContact CD1-CE2 3.93Å; F197-Y219 HydrophobicContact CD1-CE2 3.93Å; F197-Y219 HydrophobicContact CE1-CD2 4.21Å; F197-Y219 AromaticContact CE1-CE2 3.43Å; F197-Y219 HydrophobicContact CE1-CE2 3.43Å; F197-Y219 VanDerWaalsContact CE1-CE2 3.43Å; F197-Y219 AromaticContact CE1-CZ 3.9Å; F197-Y219 HydrophobicContact CZ-CE2 4.41Å; F197-W276 AromaticContact CD1-CD1 3.72Å; F197-W276 AromaticContact CD2-CD1 3.6Å; F197-W276 AromaticContact CD2-NE1 3.26Å; F197-W276 VanDerWaalsContact CD2-NE1 3.26Å; F197-W276 AromaticContact CE1-CD1 3.91Å; F197-W276 AromaticContact CE2-CD1 3.8Å; F197-W276 AromaticContact CE2-NE1 3.26Å; F197-W276 VanDerWaalsContact CE2-NE1 3.26Å; F197-W276 AromaticContact CG-CD1 3.58Å; F197-W276 AromaticContact CG-NE1 3.77Å; F197-W276 AromaticContact CZ-CD1 3.97Å; F197-W276 AromaticContact CZ-NE1 3.77Å
198	L	92.5	Very high	75.3	Confident	15 Å²	15	52.4 Å²	52.4	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	125.4	173.7	177.7	58.5	0	0	0	109.8	L160 F162 N208 L216 I294	L160-L198 PolarHBondContact N-O 2.83Å; L160-L198 PolarHBondContact O-N 3.38Å; F162-L198 HydrophobicContact CE2-CB 4.11Å; L198-N208 HydrophobicContact CD1-CB 4.19Å; L198-L216 HydrophobicContact CB-CD1 4.24Å; L198-L216 HydrophobicContact CB-CD2 4.11Å; L198-L216 HydrophobicContact CD1-CD2 4.14Å; L198-L216 HydrophobicContact CD2-CD2 4.37Å; L198-L216 HydrophobicContact CG-CD2 4.44Å; L198-I294 HydrophobicContact CD2-CD1 3.68Å; L198-I294 HydrophobicContact CD2-CG1 4.5Å
199	L	90.8	Very high	77.8	Confident	55 Å²	55	47.6 Å²	47.6	29%	0.288	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.9	165.5	-70.5	168.3	0	0	0	108.7	I159 T201 N208 W276	I159-L199 HydrophobicContact CB-CD2 4.03Å; I159-L199 HydrophobicContact CD1-CD2 4.1Å; I159-L199 HydrophobicContact CG1-CD2 4.18Å; L199-T201 VanDerWaalsContact C-N 3.32Å; L199-T201 PolarHBondContact O-N 3.27Å; L199-N208 PolarHBondContact O-ND2 3.39Å; L199-W276 HydrophobicContact CD1-CZ2 4.26Å; L199-W276 HydrophobicContact CD2-CH2 4.49Å; L199-W276 HydrophobicContact CD2-CZ2 4.12Å; L199-W276 HydrophobicContact CG-CZ2 4.4Å
200	L	86.7	Confident	79.9	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	28%	0.28	C	S	.	.	S	Bend	trans	-69.9	-29.8	-177.5	-172.7	61.4	0	0	0	112.3	F152 V158 L160 L207 N208 I294	F152-L200 HydrophobicContact CB-CD2 3.54Å; V158-L200 HydrophobicContact CB-CB 4.03Å; V158-L200 HydrophobicContact CB-CD2 4.38Å; V158-L200 HydrophobicContact CG1-CB 3.98Å; V158-L200 HydrophobicContact CG1-CD2 4.05Å; V158-L200 PolarHBondContact O-N 2.78Å; L160-L200 HydrophobicContact CD1-CB 4.17Å; L160-L200 HydrophobicContact CD1-CD1 4.47Å; L200-L207 HydrophobicContact CD1-CD1 4.48Å; L200-L207 HydrophobicContact CD2-CD1 4.49Å; L200-L207 HydrophobicContact CG-CD1 3.93Å; L200-N208 PolarHBondContact O-N 3.45Å; L200-I294 HydrophobicContact CD1-CD1 4.36Å; L200-I294 HydrophobicContact CD1-CG2 4.06Å
201	T	83.9	Confident	81.4	Confident	11 Å²	11	47.6 Å²	47.6	7%	0.067	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-114.6	139.5	166.7	60	0	0	0	0	111	K156 L199 Q206 L207	K156-T201 VanDerWaalsContact CA-OG1 3.27Å; K156-T201 WeakPolarHBondContact CA-OG1 3.34Å; K156-T201 PolarHBondContact O-OG1 3Å; L199-T201 VanDerWaalsContact C-N 3.32Å; L199-T201 PolarHBondContact O-N 3.27Å; T201-Q206 CarbonylContact C-O 3.47Å; T201-Q206 WeakPolarHBondContact CA-O 3.15Å; T201-L207 HydrophobicContact CG2-CD1 3.8Å
202	N	77.9	Confident	82.5	Confident	41 Å²	41	54 Å²	54	22%	0.219	30%	0.303	C	S	.	.			trans	-78.9	172.2	172.6	75.9	17.2	0	0	0	112.3	N204 G205 Q206	N202-N204 PolarHBondContact O-N 2.9Å; N202-N204 WeakPolarHBondContact OD1-CA 3.14Å; N202-N204 VanDerWaalsContact OD1-CB 3.32Å; N202-N204 WeakPolarHBondContact OD1-CB 3.16Å; N202-N204 PolarHBondContact OD1-N 3.1Å; N202-G205 PolarHBondContact O-N 2.82Å; N202-G205 PolarHBondContact OD1-N 2.91Å; N202-Q206 PolarHBondContact N-O 2.87Å; N202-Q206 PolarHBondContact ND2-OE1 2.94Å; N202-Q206 PolarHBondContact OD1-N 2.85Å
203	S	75.4	Confident	83.5	Confident	121 Å²	121	56.9 Å²	56.9	85%	0.846	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.5	178.7	55.3	0	0	0	0	114.8
204	N	74.9	Confident	84.2	Confident	121 Å²	121	57.4 Å²	57.4	65%	0.647	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	3.4	-177.9	-49.7	-11.2	0	0	0	111.4	N202 Q206	N202-N204 PolarHBondContact O-N 2.9Å; N202-N204 WeakPolarHBondContact OD1-CA 3.14Å; N202-N204 VanDerWaalsContact OD1-CB 3.32Å; N202-N204 WeakPolarHBondContact OD1-CB 3.16Å; N202-N204 PolarHBondContact OD1-N 3.1Å; N204-Q206 VanDerWaalsContact C-N 3.31Å; N204-Q206 PolarHBondContact O-N 2.99Å
205	G	73.2	Confident	84.5	Confident	44 Å²	44	64.3 Å²	64.3	45%	0.454	34%	0.342	S	S	.	.	S	Bend	trans	77	10.2	-177.4	0	0	0	0	0	114.7	N202	N202-G205 PolarHBondContact O-N 2.82Å; N202-G205 PolarHBondContact OD1-N 2.91Å
206	Q	80.1	Confident	84.5	Confident	119 Å²	119	64.9 Å²	64.9	56%	0.556	35%	0.345	S	S	*	.			trans	-84.1	139.8	174.6	-56.3	171	-50.4	0	0	110	T201 N202 N204	T201-Q206 CarbonylContact C-O 3.47Å; T201-Q206 WeakPolarHBondContact CA-O 3.15Å; N202-Q206 PolarHBondContact N-O 2.87Å; N202-Q206 PolarHBondContact ND2-OE1 2.94Å; N202-Q206 PolarHBondContact OD1-N 2.85Å; N204-Q206 VanDerWaalsContact C-N 3.31Å; N204-Q206 PolarHBondContact O-N 2.99Å
207	L	82.3	Confident	84.5	Confident	66 Å²	66	67.8 Å²	67.8	35%	0.346	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-78.4	127.1	-179.8	-159.8	69.4	0	0	0	110.6	F149 A153 L200 T201 A209	F149-L207 HydrophobicContact CE1-CD2 3.71Å; F149-L207 HydrophobicContact CZ-CD2 3.67Å; A153-L207 HydrophobicContact CB-CD1 3.8Å; A153-L207 HydrophobicContact CB-CD2 3.97Å; L200-L207 HydrophobicContact CD1-CD1 4.48Å; L200-L207 HydrophobicContact CD2-CD1 4.49Å; L200-L207 HydrophobicContact CG-CD1 3.93Å; T201-L207 HydrophobicContact CG2-CD1 3.8Å; L207-A209 HydrophobicContact CD2-CB 3.94Å; L207-A209 HydrophobicContact CG-CB 3.91Å; L207-A209 PolarHBondContact O-N 3.06Å
208	N	83.6	Confident	84.5	Confident	45 Å²	45	65.7 Å²	65.7	24%	0.241	35%	0.349	C	S	.	.	S	Bend	trans	-81.3	52.4	172.7	-68.7	-36.6	0	0	0	110.4	L198 L199 L200 Q214	L198-N208 HydrophobicContact CD1-CB 4.19Å; L199-N208 PolarHBondContact O-ND2 3.39Å; L200-N208 PolarHBondContact O-N 3.45Å; N208-Q214 PolarHBondContact O-NE2 2.84Å
209	A	80.8	Confident	84.3	Confident	31 Å²	31	67.1 Å²	67.1	26%	0.256	35%	0.354	S	S	.	.			trans	-138.9	158.3	178.8	0	0	0	0	0	111.4	F149 L207 I294	F149-A209 HydrophobicContact CE2-CB 4.43Å; F149-A209 HydrophobicContact CZ-CB 3.87Å; L207-A209 HydrophobicContact CD2-CB 3.94Å; L207-A209 HydrophobicContact CG-CB 3.91Å; L207-A209 PolarHBondContact O-N 3.06Å; A209-I294 CarbonylContact C-O 3.54Å; A209-I294 WeakPolarHBondContact CA-O 3.42Å; A209-I294 HydrophobicContact CB-CB 4.49Å; A209-I294 HydrophobicContact CB-CG2 4.23Å; A209-I294 WeakPolarHBondContact CB-O 3.27Å
210	G	81.2	Confident	84	Confident	21 Å²	21	67.2 Å²	67.2	22%	0.216	35%	0.353	C	S	.	.	S	Bend	trans	132.3	-175.6	-174.7	0	0	0	0	0	112	R212 T293 I294	G210-R212 PolarHBondContact O-N 3.31Å; G210-T293 VanDerWaalsContact O-CG2 3.26Å; G210-T293 WeakPolarHBondContact O-CG2 3.22Å; G210-I294 PolarHBondContact N-O 3.41Å
211	P	78	Confident	83.3	Confident	130 Å²	130	69 Å²	69	84%	0.844	37%	0.365	S	S	*	.	S	Bend	trans	-71.7	2.9	-173.7	30.2	-37	0	0	0	114.8
212	R	82.7	Confident	82.4	Confident	208 Å²	208	70.7 Å²	70.7	79%	0.785	37%	0.373	S	S	*	.			trans	-85	123.1	-175.8	-177.1	176.4	179.2	173.4	2.2	111.1	G210 Q214	G210-R212 PolarHBondContact O-N 3.31Å; R212-Q214 PolarHBondContact O-N 3.04Å
213	K	87.8	Confident	81.3	Confident	97 Å²	97	74.2 Å²	74.2	42%	0.422	39%	0.39	S	S	.	.			trans	-62.4	128.4	168.3	-155.7	173.3	-154	168.1	0	110.4	Y73 T293	Y73-K213 HydrophobicContact CD2-CD 4.34Å; Y73-K213 HydrophobicContact CD2-CG 4.26Å; Y73-K213 HydrophobicContact CE2-CD 4.29Å; Y73-K213 HydrophobicContact CE2-CG 3.97Å; Y73-K213 VanDerWaalsContact CG-NZ 3.3Å; K213-T293 WeakPolarHBondContact CA-OG1 3.46Å
214	Q	89.3	Confident	79.5	Confident	35 Å²	35	74.8 Å²	74.8	16%	0.164	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142	-179.6	-58	-178.2	41.1	0	0	109.4	N208 R212 Y291 V292	N208-Q214 PolarHBondContact O-NE2 2.84Å; R212-Q214 PolarHBondContact O-N 3.04Å; Q214-Y291 WeakPolarHBondContact O-CA 3.26Å; Q214-V292 HydrophobicContact CB-CG2 4.26Å; Q214-V292 PolarHBondContact N-O 3.18Å; Q214-V292 PolarHBondContact O-N 2.96Å
215	R	92.9	Very high	77.3	Confident	144 Å²	144	74.1 Å²	74.1	54%	0.543	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.2	175.3	-175.8	-175.2	-171.9	-177.1	12	108.1	D76 S289 Y291	D76-R215 IonicContact OD2-CZ 3.9Å; D76-R215 IonicContact OD2-NE 2.62Å; D76-R215 IonicContact OD2-NH2 2.66Å; D76-R215 PolarHBondContact OD2-NH2 2.89Å; R215-S289 VanDerWaalsContact NE-CB 3.32Å; R215-S289 PolarHBondContact NE-OG 3.42Å; R215-Y291 HydrophobicContact CB-CD1 4.18Å; R215-Y291 HydrophobicContact CB-CE1 3.97Å; R215-Y291 HydrophobicContact CG-CD1 4.31Å; R215-Y291 HydrophobicContact CG-CE1 3.81Å; R215-Y291 PolarHBondContact NE-OH 3.34Å
216	L	93.1	Very high	75.3	Confident	14 Å²	14	75.1 Å²	75.1	7%	0.073	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.4	178.5	-54.5	-177.3	0	0	0	110.2	F162 A196 L198 S289 L290 V292	F162-L216 HydrophobicContact CD2-CD1 3.67Å; F162-L216 HydrophobicContact CE2-CD1 3.49Å; F162-L216 VanDerWaalsContact CE2-CD1 3.49Å; F162-L216 HydrophobicContact CZ-CD1 4.21Å; A196-L216 HydrophobicContact CB-CB 3.91Å; A196-L216 HydrophobicContact CB-CD1 4.27Å; L198-L216 HydrophobicContact CB-CD1 4.24Å; L198-L216 HydrophobicContact CB-CD2 4.11Å; L198-L216 HydrophobicContact CD1-CD2 4.14Å; L198-L216 HydrophobicContact CD2-CD2 4.37Å; L198-L216 HydrophobicContact CG-CD2 4.44Å; L216-S289 CarbonylContact O-C 3.55Å; L216-S289 WeakPolarHBondContact O-CA 3.35Å; L216-S289 VanDerWaalsContact O-CB 3.29Å; L216-S289 WeakPolarHBondContact O-CB 3.18Å; L216-L290 PolarHBondContact N-O 3.4Å; L216-L290 PolarHBondContact O-N 3.32Å; L216-V292 HydrophobicContact CD1-CG1 4.33Å; L216-V292 HydrophobicContact CD1-CG2 3.83Å; L216-V292 HydrophobicContact CG-CG2 4.08Å
217	Q	93.9	Very high	72.7	Confident	61 Å²	61	75.1 Å²	75.1	29%	0.285	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.9	172	178.6	57	54	0	0	109.6	Y219 Y286	Q217-Y219 HydrophobicContact CB-CE2 4.29Å; Q217-Y219 HydrophobicContact CG-CE1 4.31Å; Q217-Y219 HydrophobicContact CG-CE2 4.16Å; Q217-Y219 WeakPolarHBondContact O-CD2 3.12Å; Q217-Y219 WeakPolarHBondContact O-CE2 3.43Å; Q217-Y286 PolarHBondContact NE2-O 2.99Å
218	L	93	Very high	70.1	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	153.7	171.7	-73.9	167.6	0	0	0	111	T75 L78 I164 A194 W195 A196 Y286 S288 L290	T75-L218 HydrophobicContact CG2-CD1 4.12Å; L78-L218 HydrophobicContact CD2-CD1 4Å; I164-L218 HydrophobicContact CD1-CD1 4.02Å; I164-L218 HydrophobicContact CD1-CD2 3.76Å; I164-L218 HydrophobicContact CG1-CD2 4.45Å; A194-L218 HydrophobicContact CB-CB 4.23Å; A194-L218 HydrophobicContact CB-CD1 4.36Å; A194-L218 HydrophobicContact CB-CD2 3.99Å; A194-L218 HydrophobicContact CB-CG 4.43Å; W195-L218 CarbonylContact O-C 3.52Å; W195-L218 WeakPolarHBondContact O-CA 3.46Å; A196-L218 HydrophobicContact CB-CD2 3.96Å; L218-Y286 HydrophobicContact CB-CD1 4.38Å; L218-Y286 HydrophobicContact CB-CG 4.36Å; L218-Y286 WeakPolarHBondContact O-CB 3.36Å; L218-Y286 PolarHBondContact O-N 3.25Å; L218-S288 PolarHBondContact N-O 3.45Å; L218-L290 HydrophobicContact CD2-CB 4.29Å; L218-L290 HydrophobicContact CG-CB 4.43Å
219	Y	89.7	Confident	67.3	Low	44 Å²	44	84.1 Å²	84.1	17%	0.173	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.8	-179	-65.3	-82.4	0	0	0	110.4	A194 W195 F197 Q217 R283 V284	A194-Y219 WeakPolarHBondContact CA-O 3.35Å; W195-Y219 PolarHBondContact N-O 2.94Å; W195-Y219 PolarHBondContact O-N 2.83Å; F197-Y219 HydrophobicContact CD1-CD2 4.35Å; F197-Y219 AromaticContact CD1-CE2 3.93Å; F197-Y219 HydrophobicContact CD1-CE2 3.93Å; F197-Y219 HydrophobicContact CE1-CD2 4.21Å; F197-Y219 AromaticContact CE1-CE2 3.43Å; F197-Y219 HydrophobicContact CE1-CE2 3.43Å; F197-Y219 VanDerWaalsContact CE1-CE2 3.43Å; F197-Y219 AromaticContact CE1-CZ 3.9Å; F197-Y219 HydrophobicContact CZ-CE2 4.41Å; Q217-Y219 HydrophobicContact CB-CE2 4.29Å; Q217-Y219 HydrophobicContact CG-CE1 4.31Å; Q217-Y219 HydrophobicContact CG-CE2 4.16Å; Q217-Y219 WeakPolarHBondContact O-CD2 3.12Å; Q217-Y219 WeakPolarHBondContact O-CE2 3.43Å; Y219-R283 HydrophobicContact CD1-CB 3.73Å; Y219-R283 HydrophobicContact CD1-CG 4.48Å; Y219-R283 HydrophobicContact CE1-CB 3.84Å; Y219-V284 CarbonylContact C-O 3.13Å; Y219-V284 VanDerWaalsContact CA-O 3.29Å; Y219-V284 WeakPolarHBondContact CA-O 3.37Å; Y219-V284 WeakPolarHBondContact CD1-O 3.49Å
220	E	83.6	Confident	65	Low	58 Å²	58	90.6 Å²	90.6	27%	0.271	46%	0.458	S	S	.	.			trans	-76.2	149.5	179.2	-50.1	-156.1	133.4	0	0	110.5	K79 W195 V284 Y286	K79-E220 IonicContact NZ-OE1 3.43Å; K79-E220 PolarHBondContact NZ-OE1 2.72Å; W195-E220 PolarHBondContact NE1-O 3.3Å; E220-V284 HydrophobicContact CB-CB 4.27Å; E220-V284 HydrophobicContact CB-CG1 4.38Å; E220-V284 HydrophobicContact CG-CB 4.36Å; E220-V284 HydrophobicContact CG-CG1 4Å; E220-V284 PolarHBondContact N-O 3.14Å; E220-V284 WeakPolarHBondContact OE2-CG1 3.33Å; E220-Y286 HydrophobicContact CG-CD2 3.92Å; E220-Y286 HydrophobicContact CG-CG 4.35Å
221	P	72.9	Confident	62.6	Low	38 Å²	38	98.4 Å²	98.4	25%	0.247	49%	0.488	C	S	.	.			trans	-66.2	131.9	176.1	28.2	-36.4	0	0	0	111.4	M192 I223	M192-P221 HydrophobicContact CB-CB 4.39Å; M192-P221 HydrophobicContact CE-CB 4.46Å; M192-P221 HydrophobicContact CG-CB 4.14Å; M192-P221 HydrophobicContact SD-CB 3.69Å; P221-I223 PolarHBondContact O-N 2.73Å
222	I	64	Low	60.5	Low	46 Å²	46	102 Å²	102	24%	0.236	49%	0.491	C	S	.	.			trans	-83.3	84.7	-176.3	-52.1	-174.8	0	0	0	110.8	K224 C275 Y282	I222-K224 HydrophobicContact CG2-CG 4.33Å; I222-K224 PolarHBondContact O-N 2.84Å; I222-C275 HydrophobicContact CD1-CB 3.88Å; I222-Y282 WeakPolarHBondContact CD1-O 3.37Å
223	I	54.1	Low	58.2	Low	115 Å²	115	98.9 Å²	98.9	59%	0.59	49%	0.489	S	S	*	.			trans	-77.9	99.3	175.5	-51.4	177.7	0	0	0	109.9	P221 T225	P221-I223 PolarHBondContact O-N 2.73Å; I223-T225 HydrophobicContact CG2-CG2 4.11Å; I223-T225 PolarHBondContact O-N 2.64Å
224	K	39.3	Very low	55.6	Low	134 Å²	134	97.8 Å²	97.8	58%	0.583	51%	0.505	S	S	*	.			trans	-75.8	87.8	175	-74.8	-178.6	178	171.3	0	111.7	I222 S226	I222-K224 HydrophobicContact CG2-CG 4.33Å; I222-K224 PolarHBondContact O-N 2.84Å; K224-S226 PolarHBondContact O-N 2.85Å
225	T	28.1	Very low	52.9	Low	106 Å²	106	103.4 Å²	103.4	65%	0.65	54%	0.536	S	S	*	.			trans	-72	56	172.9	50.9	0	0	0	0	113	I223 T227	I223-T225 HydrophobicContact CG2-CG2 4.11Å; I223-T225 PolarHBondContact O-N 2.64Å; T225-T227 PolarHBondContact O-N 2.72Å
226	S	30.5	Very low	50.1	Low	66 Å²	66	102.4 Å²	102.4	46%	0.462	54%	0.541	S	S	.	.			trans	-71	108.8	173.4	-176.6	0	0	0	0	110.1	R186 K224 Y228	R186-S226 PolarHBondContact NH1-O 3.05Å; R186-S226 PolarHBondContact NH2-O 2.85Å; K224-S226 PolarHBondContact O-N 2.85Å; S226-Y228 VanDerWaalsContact OG-CD2 3.31Å; S226-Y228 WeakPolarHBondContact OG-CD2 3.31Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.48Å
227	T	25.4	Very low	47.1	Very low	119 Å²	119	106.7 Å²	106.7	73%	0.73	57%	0.57	S	S	*	*			trans	-92.1	95.4	175	48.3	0	0	0	0	110.4	T225	T225-T227 PolarHBondContact O-N 2.72Å
228	Y	27.4	Very low	44.3	Very low	188 Å²	188	109.8 Å²	109.8	74%	0.737	59%	0.592	S	S	*	*			trans	-106.8	134	163.9	-82	-77	0	0	0	109.8	S226	S226-Y228 VanDerWaalsContact OG-CD2 3.31Å; S226-Y228 WeakPolarHBondContact OG-CD2 3.31Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.48Å
229	P	26.6	Very low	41.5	Very low	112 Å²	112	113.4 Å²	113.4	73%	0.727	63%	0.63	S	S	*	*			trans	-65.1	133.9	169.6	-18.9	32.2	0	0	0	110.7	E231	P229-E231 VanDerWaalsContact C-N 3.3Å; P229-E231 PolarHBondContact O-N 3.42Å
230	L	30.6	Very low	39	Very low	167 Å²	167	118.6 Å²	118.6	87%	0.874	65%	0.654	S	S	*	*	S	Bend	trans	-88.1	11.4	-170.1	-115.5	160.5	0	0	0	114.3
231	E	32.1	Very low	36.6	Very low	184 Å²	184	121.7 Å²	121.7	86%	0.86	67%	0.67	S	S	*	*	S	Bend	trans	-101.1	10.5	-164	-60.3	-177.2	146.7	0	0	115.2	P229	P229-E231 VanDerWaalsContact C-N 3.3Å; P229-E231 PolarHBondContact O-N 3.42Å
232	K	34.5	Very low	34.7	Very low	205 Å²	205	125.4 Å²	125.4	89%	0.891	70%	0.696	S	S	*	*	S	Bend	trans	-134.4	13.1	-174	-93.1	-172.3	176.5	179.2	0	117.4
233	L	33.2	Very low	33.3	Very low	143 Å²	143	128 Å²	128	75%	0.749	72%	0.718	S	S	*	*			trans	-103.8	32.8	-173.6	-147	73.8	0	0	0	115.3	L236	L233-L236 HydrophobicContact CD1-CD1 3.94Å
234	G	32.9	Very low	32.4	Very low	74 Å²	74	125 Å²	125	76%	0.763	70%	0.704	S	S	*	*	S	Bend	trans	-77.9	-16.1	179	0	0	0	0	0	115.8
235	N	33.3	Very low	32.4	Very low	153 Å²	153	121.3 Å²	121.3	82%	0.818	69%	0.694	S	S	*	*			trans	-140.9	102.5	-172.9	-77.5	-47	0	0	0	111.9
236	L	33.1	Very low	32.7	Very low	124 Å²	124	121.5 Å²	121.5	65%	0.649	70%	0.695	S	S	*	*			trans	-155.3	132.3	164.7	-107	132.4	0	0	0	111.1	L233	L233-L236 HydrophobicContact CD1-CD1 3.94Å
237	P	31.2	Very low	33	Very low	104 Å²	104	121.9 Å²	121.9	68%	0.675	69%	0.692	S	S	*	*			trans	-77.6	153.5	-173.6	30.5	-36	0	0	0	113.7	G239	P237-G239 PolarHBondContact O-N 2.74Å
238	V	35.2	Very low	33.6	Very low	125 Å²	125	120 Å²	120	76%	0.758	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-55.3	-26.3	-168.7	-177.1	0	0	0	0	114.9	K240	V238-K240 PolarHBondContact O-N 2.83Å
239	G	33.4	Very low	34.2	Very low	77 Å²	77	116.1 Å²	116.1	79%	0.794	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-70.6	13.3	-172.1	0	0	0	0	0	118.1	P237	P237-G239 PolarHBondContact O-N 2.74Å
240	K	37.2	Very low	34.8	Very low	153 Å²	153	112.6 Å²	112.6	67%	0.665	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-125.7	12	-176.9	-75.5	-171.7	174.8	-179.3	0	116.1	V238 S242	V238-K240 PolarHBondContact O-N 2.83Å; K240-S242 PolarHBondContact O-N 3.37Å; K240-S242 VanDerWaalsContact O-N 3.12Å
241	M	34.2	Very low	35.2	Very low	123 Å²	123	111.7 Å²	111.7	61%	0.606	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-65.9	-11.5	-177.6	-76.7	-173.3	162.8	0	0	116.1	S243	M241-S243 VanDerWaalsContact C-N 3.32Å; M241-S243 PolarHBondContact O-N 3.44Å
242	S	32.6	Very low	35.4	Very low	115 Å²	115	108.6 Å²	108.6	80%	0.804	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-71.3	-17.7	-175.9	51.5	0	0	0	0	115.1	K240	K240-S242 PolarHBondContact O-N 3.37Å; K240-S242 VanDerWaalsContact O-N 3.12Å
243	S	34.4	Very low	35.5	Very low	100 Å²	100	105 Å²	105	70%	0.699	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-95.8	2.3	-177.9	63.8	0	0	0	0	115.1	M241	M241-S243 VanDerWaalsContact C-N 3.32Å; M241-S243 PolarHBondContact O-N 3.44Å
244	L	35.5	Very low	35.6	Very low	54 Å²	54	102 Å²	102	28%	0.283	59%	0.593	S	S	.	*			trans	-82.1	130.3	-177.6	-64.8	175.6	0	0	0	111.8	Q248 K249 L252	L244-Q248 HydrophobicContact CB-CB 4.16Å; L244-Q248 HydrophobicContact CD2-CB 4.17Å; L244-K249 HydrophobicContact CB-CG 4.26Å; L244-K249 WeakPolarHBondContact O-CE 3.37Å; L244-L252 HydrophobicContact CD1-CD1 4.48Å
245	S	39.2	Very low	35.5	Very low	55 Å²	55	106.1 Å²	106.1	39%	0.385	60%	0.598	S	S	.	*			trans	-65.3	158.6	173.1	67.1	0	0	0	0	111.9	L247 Q248 K249	S245-L247 PolarHBondContact O-N 2.87Å; S245-Q248 WeakPolarHBondContact O-CA 3.32Å; S245-Q248 WeakPolarHBondContact O-CB 3.26Å; S245-Q248 PolarHBondContact O-N 2.81Å; S245-Q248 WeakPolarHBondContact OG-CG 3.49Å; S245-Q248 PolarHBondContact OG-OE1 3.38Å; S245-K249 PolarHBondContact O-N 3.16Å; S245-K249 VanDerWaalsContact O-N 3.1Å
246	V	34.8	Very low	35.3	Very low	110 Å²	110	102.3 Å²	102.3	67%	0.667	59%	0.587	S	S	*	*	H	α-helix	trans	-52.6	-42.5	-177.8	-177.2	0	0	0	0	111.9	Q248 K249 H250	V246-Q248 VanDerWaalsContact C-N 3.34Å; V246-Q248 PolarHBondContact O-N 2.86Å; V246-K249 WeakPolarHBondContact O-CB 3.24Å; V246-K249 PolarHBondContact O-N 3.45Å; V246-K249 VanDerWaalsContact O-N 3.15Å; V246-H250 PolarHBondContact O-N 3.37Å
247	L	37.2	Very low	35.1	Very low	75 Å²	75	101.3 Å²	101.3	39%	0.393	59%	0.591	S	S	.	*	H	α-helix	trans	-63.4	-33.7	176	-75.7	160.7	0	0	0	113.7	S245 H250 Q251	S245-L247 PolarHBondContact O-N 2.87Å; L247-H250 WeakPolarHBondContact O-CB 3.46Å; L247-H250 PolarHBondContact O-N 3.08Å; L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L247-Q251 PolarHBondContact O-N 2.6Å
248	Q	36.7	Very low	35.1	Very low	80 Å²	80	101.9 Å²	101.9	37%	0.374	59%	0.594	S	S	.	*	H	α-helix	trans	-76.2	-23.6	175.9	-69	166	-65.7	0	0	112.5	L244 S245 V246	L244-Q248 HydrophobicContact CB-CB 4.16Å; L244-Q248 HydrophobicContact CD2-CB 4.17Å; S245-Q248 WeakPolarHBondContact O-CA 3.32Å; S245-Q248 WeakPolarHBondContact O-CB 3.26Å; S245-Q248 PolarHBondContact O-N 2.81Å; S245-Q248 WeakPolarHBondContact OG-CG 3.49Å; S245-Q248 PolarHBondContact OG-OE1 3.38Å; V246-Q248 VanDerWaalsContact C-N 3.34Å; V246-Q248 PolarHBondContact O-N 2.86Å
249	K	40.6	Very low	34.7	Very low	106 Å²	106	102.6 Å²	102.6	46%	0.461	59%	0.594	S	S	.	*	H	α-helix	trans	-75	-41	168.5	-63.1	-178.5	-179.8	-179.2	0	110.8	L244 S245 V246 Q251 L252	L244-K249 HydrophobicContact CB-CG 4.26Å; L244-K249 WeakPolarHBondContact O-CE 3.37Å; S245-K249 PolarHBondContact O-N 3.16Å; S245-K249 VanDerWaalsContact O-N 3.1Å; V246-K249 WeakPolarHBondContact O-CB 3.24Å; V246-K249 PolarHBondContact O-N 3.45Å; V246-K249 VanDerWaalsContact O-N 3.15Å; K249-Q251 PolarHBondContact O-N 2.66Å; K249-L252 PolarHBondContact O-N 2.77Å; K249-L252 VanDerWaalsContact O-N 3.1Å
250	H	39.4	Very low	34.7	Very low	38 Å²	38	103.3 Å²	103.3	18%	0.176	58%	0.579	C	S	.	*	H	α-helix	trans	-56	-48.1	177.6	-150.1	-101.1	0	0	0	112	V246 L247 L252 L253 T254 E267	V246-H250 PolarHBondContact O-N 3.37Å; L247-H250 WeakPolarHBondContact O-CB 3.46Å; L247-H250 PolarHBondContact O-N 3.08Å; H250-L252 PolarHBondContact O-N 3.06Å; H250-L253 PolarHBondContact O-N 3.23Å; H250-T254 PolarHBondContact O-N 2.84Å; H250-E267 IonicContact CD2-OE1 3.76Å; H250-E267 PolarHBondContact CD2-OE1 2.96Å; H250-E267 IonicContact CD2-OE2 2.57Å; H250-E267 IonicContact CE1-OE2 2.7Å; H250-E267 IonicContact NE2-OE1 3.63Å; H250-E267 PolarHBondContact NE2-OE1 2.73Å; H250-E267 IonicContact NE2-OE2 3.67Å; H250-E267 PolarHBondContact NE2-OE2 3.21Å
251	Q	38.8	Very low	34.9	Very low	147 Å²	147	100.2 Å²	100.2	69%	0.687	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-13.3	177.3	-73	-178.6	-40.1	0	0	115.6	L247 K249	L247-Q251 WeakPolarHBondContact O-CG 3.46Å; L247-Q251 PolarHBondContact O-N 2.6Å; K249-Q251 PolarHBondContact O-N 2.66Å
252	L	35.8	Very low	34.9	Very low	120 Å²	120	101.5 Å²	101.5	63%	0.628	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-8.7	175.4	-69.6	166.5	0	0	0	113	L244 K249 H250	L244-L252 HydrophobicContact CD1-CD1 4.48Å; K249-L252 PolarHBondContact O-N 2.77Å; K249-L252 VanDerWaalsContact O-N 3.1Å; H250-L252 PolarHBondContact O-N 3.06Å
253	L	36.3	Very low	35	Very low	130 Å²	130	104.1 Å²	104.1	68%	0.681	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-20.4	-173.2	-71.1	165.4	0	0	0	113.7	H250 N255	H250-L253 PolarHBondContact O-N 3.23Å; L253-N255 PolarHBondContact O-N 2.94Å
254	T	35.1	Very low	36.3	Very low	80 Å²	80	102.7 Å²	102.7	49%	0.491	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	10	-173.5	49	0	0	0	0	116.7	H250	H250-T254 PolarHBondContact O-N 2.84Å
255	N	31.6	Very low	37.8	Very low	160 Å²	160	100.6 Å²	100.6	86%	0.856	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	9.8	-179.2	-72.5	-3.8	0	0	0	113.8	L253	L253-N255 PolarHBondContact O-N 2.94Å
256	A	28.3	Very low	39.4	Very low	72 Å²	72	100 Å²	100	60%	0.595	54%	0.543	S	S	*	.	S	Bend	trans	-139.3	134.6	-178.3	0	0	0	0	0	114.2
257	S	30.6	Very low	41	Very low	104 Å²	104	97.6 Å²	97.6	73%	0.727	53%	0.525	S	S	*	.			trans	73.3	150.7	164.9	-58.6	0	0	0	0	119.3
258	P	29.9	Very low	42.9	Very low	115 Å²	115	94.8 Å²	94.8	75%	0.747	51%	0.512	S	S	*	.	S	Bend	trans	-100.7	-9	-164.7	-0.9	24	0	0	0	115.8	L260	P258-L260 PolarHBondContact O-N 3.08Å
259	N	27.3	Very low	45	Very low	141 Å²	141	91 Å²	91	75%	0.754	49%	0.494	S	S	*	.			trans	-82.8	46.7	-165.8	-62.9	5	0	0	0	113.5	S261	N259-S261 PolarHBondContact O-N 3.03Å
260	L	32.2	Very low	46.9	Very low	91 Å²	91	90.4 Å²	90.4	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-79.9	-15.1	-162	-114.9	71.4	0	0	0	116.5	P258 E262 N264	P258-L260 PolarHBondContact O-N 3.08Å; L260-E262 PolarHBondContact O-N 2.76Å; L260-N264 VanDerWaalsContact O-CB 3.31Å; L260-N264 WeakPolarHBondContact O-CB 3.29Å; L260-N264 PolarHBondContact O-N 2.9Å; L260-N264 VanDerWaalsContact O-N 3.14Å; L260-N264 PolarHBondContact O-ND2 3.13Å
261	S	41.7	Very low	48.7	Very low	89 Å²	89	91.9 Å²	91.9	62%	0.622	50%	0.496	S	S	*	.	H	α-helix	trans	-64.4	-41.1	-166.2	51.2	0	0	0	0	114.5	N259	N259-S261 PolarHBondContact O-N 3.03Å
262	E	34.5	Very low	51	Low	150 Å²	150	85 Å²	85	70%	0.701	46%	0.464	S	S	*	.	H	α-helix	trans	-87.3	-37.7	-179.1	-61.9	-168.9	140.9	0	0	112.3	L260 N264 A265 V266	L260-E262 PolarHBondContact O-N 2.76Å; E262-N264 VanDerWaalsContact C-N 3.31Å; E262-N264 PolarHBondContact O-N 3.17Å; E262-A265 WeakPolarHBondContact O-CA 3.37Å; E262-A265 WeakPolarHBondContact O-CB 3.47Å; E262-A265 PolarHBondContact O-N 2.87Å; E262-V266 PolarHBondContact O-N 3.07Å; E262-V266 VanDerWaalsContact O-N 3.11Å
263	Y	35.5	Very low	53.3	Low	169 Å²	169	79.5 Å²	79.5	66%	0.663	44%	0.435	S	S	*	.	H	α-helix	trans	-56.5	-46.6	176.6	-133.1	-92.6	0	0	0	111.1	A265 V266 E267	Y263-A265 PolarHBondContact O-N 2.7Å; Y263-V266 PolarHBondContact O-N 2.76Å; Y263-E267 HydrophobicContact CD1-CG 4.36Å; Y263-E267 WeakPolarHBondContact O-CB 3.19Å; Y263-E267 WeakPolarHBondContact O-CG 3.2Å; Y263-E267 PolarHBondContact O-N 2.8Å
264	N	61	Low	55.3	Low	71 Å²	71	76.3 Å²	76.3	38%	0.38	42%	0.424	S	S	.	.	H	α-helix	trans	-58.4	-28	174.4	-73.3	-22	0	0	0	113.7	L260 E262 S268	L260-N264 VanDerWaalsContact O-CB 3.31Å; L260-N264 WeakPolarHBondContact O-CB 3.29Å; L260-N264 PolarHBondContact O-N 2.9Å; L260-N264 VanDerWaalsContact O-N 3.14Å; L260-N264 PolarHBondContact O-ND2 3.13Å; E262-N264 VanDerWaalsContact C-N 3.31Å; E262-N264 PolarHBondContact O-N 3.17Å; N264-S268 PolarHBondContact O-N 3.14Å
265	A	67	Low	57.4	Low	9 Å²	9	73 Å²	73	7%	0.074	40%	0.403	C	S	.	.	H	α-helix	trans	-82	-36.5	179.7	0	0	0	0	0	112.3	H92 E262 Y263 S268	H92-A265 PolarHBondContact CE1-O 2.68Å; H92-A265 VanDerWaalsContact CE1-O 3.28Å; E262-A265 WeakPolarHBondContact O-CA 3.37Å; E262-A265 WeakPolarHBondContact O-CB 3.47Å; E262-A265 PolarHBondContact O-N 2.87Å; Y263-A265 PolarHBondContact O-N 2.7Å; A265-S268 PolarHBondContact O-OG 2.78Å
266	V	72.4	Confident	59.9	Low	42 Å²	42	67.7 Å²	67.7	26%	0.255	37%	0.372	S	S	.	.	H	α-helix	trans	-68.1	-43.8	173.8	-176.7	0	0	0	0	110	Y101 E262 Y263 S268 G269 Y270	Y101-V266 HydrophobicContact CD2-CG1 4.3Å; Y101-V266 HydrophobicContact CE2-CG1 3.64Å; Y101-V266 PolarHBondContact OH-O 3.43Å; E262-V266 PolarHBondContact O-N 3.07Å; E262-V266 VanDerWaalsContact O-N 3.11Å; Y263-V266 PolarHBondContact O-N 2.76Å; V266-S268 PolarHBondContact O-N 2.88Å; V266-G269 PolarHBondContact O-N 2.92Å; V266-Y270 HydrophobicContact CG1-CD2 4.36Å; V266-Y270 HydrophobicContact CG1-CE2 3.72Å
267	E	69	Low	62.6	Low	61 Å²	61	68.4 Å²	68.4	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-35.6	177.2	-73.4	-172.8	148.5	0	0	114.1	H250 Y263 G269 Y270 H271	H250-E267 IonicContact CD2-OE1 3.76Å; H250-E267 PolarHBondContact CD2-OE1 2.96Å; H250-E267 IonicContact CD2-OE2 2.57Å; H250-E267 IonicContact CE1-OE2 2.7Å; H250-E267 IonicContact NE2-OE1 3.63Å; H250-E267 PolarHBondContact NE2-OE1 2.73Å; H250-E267 IonicContact NE2-OE2 3.67Å; H250-E267 PolarHBondContact NE2-OE2 3.21Å; Y263-E267 HydrophobicContact CD1-CG 4.36Å; Y263-E267 WeakPolarHBondContact O-CB 3.19Å; Y263-E267 WeakPolarHBondContact O-CG 3.2Å; Y263-E267 PolarHBondContact O-N 2.8Å; E267-G269 VanDerWaalsContact C-N 3.28Å; E267-G269 PolarHBondContact O-N 2.78Å; E267-Y270 PolarHBondContact O-N 2.94Å; E267-H271 PolarHBondContact O-N 3.33Å
268	S	77	Confident	64.8	Low	16 Å²	16	66.1 Å²	66.1	11%	0.112	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-34.4	178.5	78.2	0	0	0	0	112.3	R90 H92 E163 N264 A265 V266 H271 L272	R90-S268 PolarHBondContact NH1-OG 2.92Å; R90-S268 VanDerWaalsContact NH1-OG 3.08Å; H92-S268 PolarHBondContact CE1-OG 2.96Å; E163-S268 PolarHBondContact OE2-OG 3.13Å; N264-S268 PolarHBondContact O-N 3.14Å; A265-S268 PolarHBondContact O-OG 2.78Å; V266-S268 PolarHBondContact O-N 2.88Å; S268-H271 PolarHBondContact O-N 3.23Å; S268-L272 WeakPolarHBondContact O-CB 3.16Å; S268-L272 VanDerWaalsContact O-CG 3.27Å; S268-L272 WeakPolarHBondContact O-CG 3.44Å; S268-L272 PolarHBondContact O-N 2.85Å
269	G	81.1	Confident	66.9	Low	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-46.5	173.4	0	0	0	0	0	113.2	H92 Y101 V266 E267 H271 L272 L273	H92-G269 WeakPolarHBondContact ND1-CA 3.06Å; Y101-G269 WeakPolarHBondContact OH-CA 3.16Å; V266-G269 PolarHBondContact O-N 2.92Å; E267-G269 VanDerWaalsContact C-N 3.28Å; E267-G269 PolarHBondContact O-N 2.78Å; G269-H271 VanDerWaalsContact C-N 3.3Å; G269-H271 PolarHBondContact O-N 3.19Å; G269-L272 PolarHBondContact O-N 2.98Å; G269-L273 PolarHBondContact O-N 3Å
270	Y	81	Confident	69.2	Low	94 Å²	94	59.8 Å²	59.8	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-38	174.1	-65.9	-59.6	0	0	0	112.2	M94 E99 D100 Y101 V266 E267 L273 S274	M94-Y270 HydrophobicContact CE-CD1 3.63Å; M94-Y270 HydrophobicContact CE-CE1 3.84Å; M94-Y270 HydrophobicContact CE-CG 4.42Å; E99-Y270 WeakPolarHBondContact O-CE1 3.4Å; D100-Y270 PolarHBondContact OD1-OH 3.35Å; D100-Y270 VanDerWaalsContact OD1-OH 3.06Å; Y101-Y270 HydrophobicContact CD2-CE1 4.45Å; Y101-Y270 HydrophobicContact CE2-CE1 4.41Å; Y101-Y270 HydrophobicContact CE2-CE2 4.26Å; V266-Y270 HydrophobicContact CG1-CD2 4.36Å; V266-Y270 HydrophobicContact CG1-CE2 3.72Å; E267-Y270 PolarHBondContact O-N 2.94Å; Y270-L273 PolarHBondContact O-N 2.89Å; Y270-S274 WeakPolarHBondContact O-CB 3.23Å; Y270-S274 PolarHBondContact O-N 2.86Å
271	H	77.7	Confident	70.8	Confident	68 Å²	68	66.5 Å²	66.5	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-44	174.8	-175.2	-106.3	0	0	0	112	E267 S268 G269 S274 C275	E267-H271 PolarHBondContact O-N 3.33Å; S268-H271 PolarHBondContact O-N 3.23Å; G269-H271 VanDerWaalsContact C-N 3.3Å; G269-H271 PolarHBondContact O-N 3.19Å; H271-S274 WeakPolarHBondContact O-CB 3.43Å; H271-S274 PolarHBondContact O-N 3.24Å; H271-C275 VanDerWaalsContact CE1-SG 3.57Å; H271-C275 WeakPolarHBondContact O-CB 3.48Å; H271-C275 PolarHBondContact O-N 2.92Å; H271-C275 PolarHBondContact O-SG 3Å
272	L	85	Confident	72	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-41.7	175	-72.9	168.2	0	0	0	112.2	F161 E163 M192 W195 S268 G269 C275 W276	F161-L272 HydrophobicContact CB-CD1 4.09Å; F161-L272 HydrophobicContact CD1-CB 3.97Å; F161-L272 HydrophobicContact CD2-CB 4.39Å; F161-L272 HydrophobicContact CE1-CB 4.26Å; F161-L272 HydrophobicContact CG-CB 4.06Å; F161-L272 HydrophobicContact CG-CD1 4.48Å; E163-L272 HydrophobicContact CB-CD1 4.15Å; E163-L272 HydrophobicContact CG-CD1 4.47Å; M192-L272 HydrophobicContact CE-CD2 3.72Å; W195-L272 HydrophobicContact CB-CD2 3.87Å; W195-L272 HydrophobicContact CD2-CD2 3.52Å; W195-L272 HydrophobicContact CE3-CD2 3.61Å; W195-L272 HydrophobicContact CG-CD2 3.67Å; W195-L272 HydrophobicContact CZ3-CD2 4.23Å; S268-L272 WeakPolarHBondContact O-CB 3.16Å; S268-L272 VanDerWaalsContact O-CG 3.27Å; S268-L272 WeakPolarHBondContact O-CG 3.44Å; S268-L272 PolarHBondContact O-N 2.85Å; G269-L272 PolarHBondContact O-N 2.98Å; L272-C275 WeakPolarHBondContact O-CB 3.45Å; L272-C275 PolarHBondContact O-N 2.82Å; L272-W276 WeakPolarHBondContact O-CB 3.35Å; L272-W276 PolarHBondContact O-N 3.06Å
273	L	85.3	Confident	74.2	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-42.7	174.3	-176.4	60.9	0	0	0	111.8	M94 T96 E99 F161 G269 Y270 W276 K277	M94-L273 HydrophobicContact CE-CD2 3.98Å; M94-L273 HydrophobicContact SD-CB 4.35Å; T96-L273 HydrophobicContact CG2-CD1 4.2Å; E99-L273 HydrophobicContact CB-CD2 4.2Å; F161-L273 HydrophobicContact CE2-CB 4.06Å; F161-L273 HydrophobicContact CE2-CD1 4.14Å; F161-L273 HydrophobicContact CZ-CB 4.22Å; F161-L273 HydrophobicContact CZ-CD1 4.06Å; G269-L273 PolarHBondContact O-N 3Å; Y270-L273 PolarHBondContact O-N 2.89Å; L273-W276 HydrophobicContact CD1-CE3 4.37Å; L273-W276 PolarHBondContact O-N 2.89Å; L273-K277 HydrophobicContact CD1-CG 4.38Å; L273-K277 WeakPolarHBondContact O-CG 3.49Å; L273-K277 PolarHBondContact O-N 2.91Å
274	S	78.3	Confident	76.3	Confident	62 Å²	62	59.6 Å²	59.6	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-41.8	174.4	-167.8	0	0	0	0	112.3	Y270 H271 W276 K277 S278	Y270-S274 WeakPolarHBondContact O-CB 3.23Å; Y270-S274 PolarHBondContact O-N 2.86Å; H271-S274 WeakPolarHBondContact O-CB 3.43Å; H271-S274 PolarHBondContact O-N 3.24Å; S274-W276 VanDerWaalsContact C-N 3.32Å; S274-W276 PolarHBondContact O-N 2.93Å; S274-K277 PolarHBondContact O-N 2.91Å; S274-S278 WeakPolarHBondContact O-CB 3.48Å; S274-S278 PolarHBondContact O-N 3.13Å; S274-S278 PolarHBondContact O-OG 3.33Å
275	C	78.2	Confident	77.5	Confident	10 Å²	10	58.8 Å²	58.8	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-36.7	174.5	-67	0	0	0	0	112.2	W195 I222 H271 L272	W195-C275 HydrophobicContact CH2-CB 3.98Å; W195-C275 HydrophobicContact CZ2-CB 3.99Å; I222-C275 HydrophobicContact CD1-CB 3.88Å; H271-C275 VanDerWaalsContact CE1-SG 3.57Å; H271-C275 WeakPolarHBondContact O-CB 3.48Å; H271-C275 PolarHBondContact O-N 2.92Å; H271-C275 PolarHBondContact O-SG 3Å; L272-C275 WeakPolarHBondContact O-CB 3.45Å; L272-C275 PolarHBondContact O-N 2.82Å
276	W	85.5	Confident	78.4	Confident	50 Å²	50	58.7 Å²	58.7	19%	0.189	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-49.8	175.1	-175.6	94.6	0	0	0	111.9	T96 I159 F161 F197 L199 L272 L273 S274 S278 G279 R283	T96-W276 HydrophobicContact CG2-CH2 4.06Å; T96-W276 HydrophobicContact CG2-CZ3 3.92Å; I159-W276 HydrophobicContact CD1-CD2 3.82Å; I159-W276 VanDerWaalsContact CD1-CE2 3.47Å; I159-W276 HydrophobicContact CD1-CG 4.01Å; I159-W276 HydrophobicContact CD1-CZ2 3.92Å; F161-W276 HydrophobicContact CE1-CB 3.91Å; F161-W276 HydrophobicContact CE1-CG 4.19Å; F161-W276 HydrophobicContact CZ-CB 3.96Å; F161-W276 HydrophobicContact CZ-CG 4.24Å; F197-W276 AromaticContact CD1-CD1 3.72Å; F197-W276 AromaticContact CD2-CD1 3.6Å; F197-W276 AromaticContact CD2-NE1 3.26Å; F197-W276 VanDerWaalsContact CD2-NE1 3.26Å; F197-W276 AromaticContact CE1-CD1 3.91Å; F197-W276 AromaticContact CE2-CD1 3.8Å; F197-W276 AromaticContact CE2-NE1 3.26Å; F197-W276 VanDerWaalsContact CE2-NE1 3.26Å; F197-W276 AromaticContact CG-CD1 3.58Å; F197-W276 AromaticContact CG-NE1 3.77Å; F197-W276 AromaticContact CZ-CD1 3.97Å; F197-W276 AromaticContact CZ-NE1 3.77Å; L199-W276 HydrophobicContact CD1-CZ2 4.26Å; L199-W276 HydrophobicContact CD2-CH2 4.49Å; L199-W276 HydrophobicContact CD2-CZ2 4.12Å; L199-W276 HydrophobicContact CG-CZ2 4.4Å; L272-W276 WeakPolarHBondContact O-CB 3.35Å; L272-W276 PolarHBondContact O-N 3.06Å; L273-W276 HydrophobicContact CD1-CE3 4.37Å; L273-W276 PolarHBondContact O-N 2.89Å; S274-W276 VanDerWaalsContact C-N 3.32Å; S274-W276 PolarHBondContact O-N 2.93Å; W276-S278 PolarHBondContact O-N 2.82Å; W276-G279 PolarHBondContact O-N 2.95Å; W276-R283 PolarHBondContact O-NH2 2.93Å
277	K	84.1	Confident	79	Confident	87 Å²	87	61.1 Å²	61.1	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-26.9	178.4	-72.5	-161.5	176.9	-161.1	0	113.4	T96 E99 L273 S274 G279	T96-K277 VanDerWaalsContact O-CE 3.27Å; T96-K277 WeakPolarHBondContact O-CE 3.32Å; T96-K277 PolarHBondContact O-NZ 2.92Å; E99-K277 WeakPolarHBondContact OE1-CD 3.34Å; E99-K277 WeakPolarHBondContact OE1-CE 3.47Å; E99-K277 IonicContact OE1-NZ 2.79Å; E99-K277 PolarHBondContact OE1-NZ 3.3Å; L273-K277 HydrophobicContact CD1-CG 4.38Å; L273-K277 WeakPolarHBondContact O-CG 3.49Å; L273-K277 PolarHBondContact O-N 2.91Å; S274-K277 PolarHBondContact O-N 2.91Å; K277-G279 PolarHBondContact O-N 2.86Å
278	S	76.3	Confident	79.9	Confident	55 Å²	55	58.5 Å²	58.5	39%	0.385	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.3	171.6	-62.3	0	0	0	0	113.6	S274 W276 Y282	S274-S278 WeakPolarHBondContact O-CB 3.48Å; S274-S278 PolarHBondContact O-N 3.13Å; S274-S278 PolarHBondContact O-OG 3.33Å; W276-S278 PolarHBondContact O-N 2.82Å; S278-Y282 WeakPolarHBondContact O-CD2 3.42Å
279	G	74.9	Confident	80.7	Confident	24 Å²	24	58 Å²	58	25%	0.247	30%	0.298	C	S	.	.			trans	97.5	-174.5	173.4	0	0	0	0	0	114.1	W276 K277 R283	W276-G279 PolarHBondContact O-N 2.95Å; K277-G279 PolarHBondContact O-N 2.86Å; G279-R283 PolarHBondContact O-NE 2.77Å
280	S	75.1	Confident	81.3	Confident	100 Å²	100	58 Å²	58	70%	0.699	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-70.5	-32.1	-176.5	51.1	0	0	0	0	113.3	Y282 R283	S280-Y282 PolarHBondContact O-N 3.3Å; S280-Y282 VanDerWaalsContact O-N 3.14Å; S280-R283 PolarHBondContact O-N 3.23Å
281	R	67.2	Low	81.9	Confident	231 Å²	231	55.9 Å²	55.9	87%	0.872	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-63.8	-17.6	-176	-73.7	-170	-74.7	-166.2	-3.1	115.2
282	Y	65.8	Low	82.7	Confident	145 Å²	145	52.7 Å²	52.7	57%	0.569	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-106.4	-4.1	179.6	-59.8	-86.1	0	0	0	113.4	I222 S278 S280 V284	I222-Y282 WeakPolarHBondContact CD1-O 3.37Å; S278-Y282 WeakPolarHBondContact O-CD2 3.42Å; S280-Y282 PolarHBondContact O-N 3.3Å; S280-Y282 VanDerWaalsContact O-N 3.14Å; Y282-V284 PolarHBondContact O-N 3.03Å
283	R	81.3	Confident	83.1	Confident	40 Å²	40	52.7 Å²	52.7	15%	0.151	28%	0.275	C	S	.	.			trans	-97.1	90.8	-177.1	-80.6	-178.4	-91.2	-176.5	-12.8	110.6	W195 Y219 W276 G279 S280	W195-R283 HydrophobicContact CH2-CG 3.94Å; W195-R283 HydrophobicContact CZ2-CG 3.95Å; Y219-R283 HydrophobicContact CD1-CB 3.73Å; Y219-R283 HydrophobicContact CD1-CG 4.48Å; Y219-R283 HydrophobicContact CE1-CB 3.84Å; W276-R283 PolarHBondContact O-NH2 2.93Å; G279-R283 PolarHBondContact O-NE 2.77Å; S280-R283 PolarHBondContact O-N 3.23Å
284	V	79.2	Confident	83.3	Confident	78 Å²	78	52.4 Å²	52.4	47%	0.473	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-68.8	123.5	176.2	-176.1	0	0	0	0	109.5	Y219 E220 Y282	Y219-V284 CarbonylContact C-O 3.13Å; Y219-V284 VanDerWaalsContact CA-O 3.29Å; Y219-V284 WeakPolarHBondContact CA-O 3.37Å; Y219-V284 WeakPolarHBondContact CD1-O 3.49Å; E220-V284 HydrophobicContact CB-CB 4.27Å; E220-V284 HydrophobicContact CB-CG1 4.38Å; E220-V284 HydrophobicContact CG-CB 4.36Å; E220-V284 HydrophobicContact CG-CG1 4Å; E220-V284 PolarHBondContact N-O 3.14Å; E220-V284 WeakPolarHBondContact OE2-CG1 3.33Å; Y282-V284 PolarHBondContact O-N 3.03Å
285	P	85.5	Confident	83.8	Confident	54 Å²	54	52.1 Å²	52.1	35%	0.351	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.5	-178.7	29.9	-33.8	0	0	0	111.3
286	Y	85.8	Confident	84.2	Confident	7 Å²	7	56 Å²	56	3%	0.027	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.3	172.1	-166.6	-76.6	0	0	0	109.2	L78 K79 T193 A194 Q217 L218 E220 S288	L78-Y286 HydrophobicContact CD2-CE1 3.73Å; K79-Y286 WeakPolarHBondContact CA-OH 3.48Å; K79-Y286 WeakPolarHBondContact CB-OH 3.43Å; K79-Y286 HydrophobicContact CD-CE2 4.44Å; K79-Y286 HydrophobicContact CG-CE1 4.48Å; K79-Y286 PolarHBondContact N-OH 2.78Å; K79-Y286 PolarHBondContact O-OH 3.3Å; T193-Y286 WeakPolarHBondContact O-CE2 3.46Å; A194-Y286 HydrophobicContact CB-CD1 4.43Å; A194-Y286 HydrophobicContact CB-CD2 3.72Å; A194-Y286 HydrophobicContact CB-CE2 3.85Å; A194-Y286 HydrophobicContact CB-CG 4.02Å; Q217-Y286 PolarHBondContact NE2-O 2.99Å; L218-Y286 HydrophobicContact CB-CD1 4.38Å; L218-Y286 HydrophobicContact CB-CG 4.36Å; L218-Y286 WeakPolarHBondContact O-CB 3.36Å; L218-Y286 PolarHBondContact O-N 3.25Å; E220-Y286 HydrophobicContact CG-CD2 3.92Å; E220-Y286 HydrophobicContact CG-CG 4.35Å; Y286-S288 PolarHBondContact O-N 2.85Å
287	P	85.6	Confident	83.9	Confident	93 Å²	93	55.7 Å²	55.7	60%	0.604	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	50.7	-176.2	33.4	-37.7	0	0	0	113.5
288	S	88.5	Confident	83.4	Confident	7 Å²	7	55.2 Å²	55.2	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	174.7	176.7	-175.5	0	0	0	0	110.3	D76 R77 L218 Y286	D76-S288 PolarHBondContact N-OG 3.35Å; D76-S288 PolarHBondContact O-OG 3.5Å; R77-S288 WeakPolarHBondContact O-CB 3.33Å; R77-S288 PolarHBondContact O-OG 3.25Å; L218-S288 PolarHBondContact N-O 3.45Å; Y286-S288 PolarHBondContact O-N 2.85Å
289	S	93.3	Very high	82.6	Confident	5 Å²	5	58 Å²	58	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.2	174.9	-60.7	0	0	0	0	111.2	T75 D76 R215 L216	T75-S289 CarbonylContact C-O 3.59Å; T75-S289 WeakPolarHBondContact CA-O 3.37Å; T75-S289 VanDerWaalsContact CB-O 3.31Å; T75-S289 WeakPolarHBondContact CB-O 3.27Å; D76-S289 PolarHBondContact N-O 3.22Å; R215-S289 VanDerWaalsContact NE-CB 3.32Å; R215-S289 PolarHBondContact NE-OG 3.42Å; L216-S289 CarbonylContact O-C 3.55Å; L216-S289 WeakPolarHBondContact O-CA 3.35Å; L216-S289 VanDerWaalsContact O-CB 3.29Å; L216-S289 WeakPolarHBondContact O-CB 3.18Å
290	L	94	Very high	81.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.3	170.9	-178.4	68.3	0	0	0	109.5	I72 T75 W139 F162 L216 L218 V292	I72-L290 HydrophobicContact CG2-CD1 4.36Å; T75-L290 HydrophobicContact CG2-CB 4.39Å; T75-L290 HydrophobicContact CG2-CD1 3.69Å; W139-L290 HydrophobicContact CZ3-CD1 4.42Å; F162-L290 HydrophobicContact CB-CD2 3.68Å; F162-L290 HydrophobicContact CD1-CD2 4.08Å; F162-L290 HydrophobicContact CG-CD2 3.89Å; L216-L290 PolarHBondContact N-O 3.4Å; L216-L290 PolarHBondContact O-N 3.32Å; L218-L290 HydrophobicContact CD2-CB 4.29Å; L218-L290 HydrophobicContact CG-CB 4.43Å; L290-V292 HydrophobicContact CD2-CG1 4.01Å; L290-V292 HydrophobicContact CG-CG1 3.97Å
291	Y	94	Very high	79.6	Confident	50 Å²	50	67.4 Å²	67.4	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.5	177.5	-63.4	-98	0	0	0	111	Y73 R74 D76 Q214 R215	Y73-Y291 WeakPolarHBondContact CD2-O 3.45Å; Y73-Y291 PolarHBondContact N-O 3.18Å; Y73-Y291 VanDerWaalsContact N-O 3.07Å; R74-Y291 HydrophobicContact CG-CD2 4.27Å; R74-Y291 WeakPolarHBondContact O-CD2 3.36Å; R74-Y291 PolarHBondContact O-N 3.13Å; D76-Y291 VanDerWaalsContact OD1-CE2 3.31Å; D76-Y291 WeakPolarHBondContact OD1-CE2 3.48Å; D76-Y291 PolarHBondContact OD1-OH 3.34Å; D76-Y291 PolarHBondContact OD2-OH 3.24Å; D76-Y291 VanDerWaalsContact OD2-OH 3.13Å; Q214-Y291 WeakPolarHBondContact O-CA 3.26Å; R215-Y291 HydrophobicContact CB-CD1 4.18Å; R215-Y291 HydrophobicContact CB-CE1 3.97Å; R215-Y291 HydrophobicContact CG-CD1 4.31Å; R215-Y291 HydrophobicContact CG-CE1 3.81Å; R215-Y291 PolarHBondContact NE-OH 3.34Å
292	V	94.2	Very high	77.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	163	-177	-53.9	0	0	0	0	112.4	I71 I72 F162 Q214 L216 L290	I71-V292 CarbonylContact O-C 3.58Å; I71-V292 WeakPolarHBondContact O-CA 3.27Å; I72-V292 HydrophobicContact CD1-CB 4.39Å; I72-V292 HydrophobicContact CD1-CG1 3.64Å; F162-V292 HydrophobicContact CE1-CG1 4.19Å; F162-V292 HydrophobicContact CZ-CG1 4.46Å; Q214-V292 HydrophobicContact CB-CG2 4.26Å; Q214-V292 PolarHBondContact N-O 3.18Å; Q214-V292 PolarHBondContact O-N 2.96Å; L216-V292 HydrophobicContact CD1-CG1 4.33Å; L216-V292 HydrophobicContact CD1-CG2 3.83Å; L216-V292 HydrophobicContact CG-CG2 4.08Å; L290-V292 HydrophobicContact CD2-CG1 4.01Å; L290-V292 HydrophobicContact CG-CG1 3.97Å
293	T	92.1	Very high	76	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.1	163.7	-65	0	0	0	0	108.2	I70 I71 Y73 G210 K213	I70-T293 WeakPolarHBondContact CA-O 3.45Å; I71-T293 PolarHBondContact N-O 3.32Å; I71-T293 PolarHBondContact O-N 3.05Å; Y73-T293 VanDerWaalsContact CE2-OG1 3.28Å; Y73-T293 WeakPolarHBondContact CE2-OG1 3.49Å; Y73-T293 PolarHBondContact OH-OG1 3.26Å; G210-T293 VanDerWaalsContact O-CG2 3.26Å; G210-T293 WeakPolarHBondContact O-CG2 3.22Å; K213-T293 WeakPolarHBondContact CA-OG1 3.46Å
294	I	90.9	Very high	73.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.6	171	-58.9	-177.9	0	0	0	107.5	L68 E69 I70 L160 L198 L200 A209 G210	L68-I294 HydrophobicContact CD1-CG2 3.53Å; E69-I294 WeakPolarHBondContact O-CA 3.4Å; I70-I294 HydrophobicContact CG1-CG1 4.42Å; I70-I294 HydrophobicContact CG2-CG1 4.48Å; L160-I294 HydrophobicContact CD1-CD1 4.03Å; L160-I294 HydrophobicContact CD2-CD1 3.8Å; L198-I294 HydrophobicContact CD2-CD1 3.68Å; L198-I294 HydrophobicContact CD2-CG1 4.5Å; L200-I294 HydrophobicContact CD1-CD1 4.36Å; L200-I294 HydrophobicContact CD1-CG2 4.06Å; A209-I294 CarbonylContact C-O 3.54Å; A209-I294 WeakPolarHBondContact CA-O 3.42Å; A209-I294 HydrophobicContact CB-CB 4.49Å; A209-I294 HydrophobicContact CB-CG2 4.23Å; A209-I294 WeakPolarHBondContact CB-O 3.27Å; G210-I294 PolarHBondContact N-O 3.41Å
295	K	87.6	Confident	71.2	Confident	55 Å²	55	73.3 Å²	73.3	24%	0.239	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.5	176.5	57.7	167.2	172.3	125.3	0	111.7	E69 T297	E69-K295 HydrophobicContact CB-CG 4.15Å; E69-K295 PolarHBondContact N-O 3.06Å; E69-K295 PolarHBondContact O-N 3.19Å; E69-K295 WeakPolarHBondContact OE1-CE 3.41Å; E69-K295 IonicContact OE1-NZ 3.23Å; E69-K295 PolarHBondContact OE1-NZ 2.97Å; E69-K295 WeakPolarHBondContact OE2-CE 3.26Å; E69-K295 IonicContact OE2-NZ 3.74Å; E69-K295 PolarHBondContact OE2-NZ 3.16Å; K295-T297 PolarHBondContact NZ-OG1 3.22Å
296	E	86.7	Confident	68.7	Low	92 Å²	92	79.3 Å²	79.3	43%	0.43	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	145.4	162.7	-169.3	166.2	-157.3	0	0	109.6	F149	F149-E296 HydrophobicContact CB-CB 4.41Å; F149-E296 HydrophobicContact CB-CG 3.87Å; F149-E296 HydrophobicContact CD1-CB 3.63Å; F149-E296 VanDerWaalsContact CD1-CD 3.44Å; F149-E296 HydrophobicContact CD1-CG 3.7Å; F149-E296 HydrophobicContact CD2-CB 4.08Å; F149-E296 HydrophobicContact CD2-CG 4.45Å; F149-E296 HydrophobicContact CE1-CB 3.8Å; F149-E296 HydrophobicContact CE1-CG 4.35Å; F149-E296 HydrophobicContact CE2-CB 4.23Å; F149-E296 HydrophobicContact CG-CB 3.78Å; F149-E296 HydrophobicContact CG-CG 3.75Å; F149-E296 HydrophobicContact CZ-CB 4.09Å
297	T	79	Confident	66.1	Low	43 Å²	43	84.6 Å²	84.6	26%	0.264	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143	172.1	-74.4	0	0	0	0	110	G66 I67 E69 K295	G66-T297 WeakPolarHBondContact CA-O 3.19Å; I67-T297 VanDerWaalsContact CG1-O 3.24Å; I67-T297 WeakPolarHBondContact CG1-O 3.43Å; I67-T297 PolarHBondContact N-O 2.95Å; I67-T297 PolarHBondContact O-N 2.87Å; E69-T297 PolarHBondContact OE2-OG1 3.46Å; K295-T297 PolarHBondContact NZ-OG1 3.22Å
298	V	74	Confident	63.4	Low	77 Å²	77	83.6 Å²	83.6	47%	0.467	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.7	-171.9	-179.7	0	0	0	0	111.1	Q64 K300	Q64-V298 HydrophobicContact CB-CG1 4.25Å; V298-K300 PolarHBondContact O-N 3.4Å; V298-K300 VanDerWaalsContact O-N 3.13Å
299	R	60.9	Low	60.7	Low	113 Å²	113	89.4 Å²	89.4	43%	0.426	47%	0.474	S	S	.	.			trans	-61.9	110.1	169.4	-80.5	178.8	173.1	159.2	-0.2	110.3	I67 N146 T301	I67-R299 HydrophobicContact CD1-CG 3.92Å; I67-R299 HydrophobicContact CG1-CG 4.26Å; I67-R299 HydrophobicContact CG2-CG 3.82Å; N146-R299 PolarHBondContact O-NH2 3.24Å; N146-R299 PolarHBondContact OD1-NE 3.17Å; N146-R299 PolarHBondContact OD1-NH2 3.09Å; R299-T301 PolarHBondContact O-N 3.48Å
300	K	48.7	Very low	57.8	Low	200 Å²	200	96.6 Å²	96.6	87%	0.87	51%	0.505	S	S	*	.			trans	-77.1	101.5	168.1	-73.9	-170.1	176	-173.6	0	110.3	V298 S302	V298-K300 PolarHBondContact O-N 3.4Å; V298-K300 VanDerWaalsContact O-N 3.13Å; K300-S302 PolarHBondContact O-N 3.15Å
301	T	37.9	Very low	54.7	Low	122 Å²	122	104 Å²	104	75%	0.748	54%	0.542	S	S	*	.			trans	-80.2	90.4	173.1	48.6	0	0	0	0	111.1	R299 L303	R299-T301 PolarHBondContact O-N 3.48Å; T301-L303 PolarHBondContact O-N 2.85Å
302	S	28.7	Very low	51.7	Low	116 Å²	116	108 Å²	108	81%	0.811	57%	0.566	S	S	*	*			trans	-80.6	85.8	173.5	55.7	0	0	0	0	111.1	K300	K300-S302 PolarHBondContact O-N 3.15Å
303	L	28.2	Very low	48.7	Very low	137 Å²	137	112.1 Å²	112.1	72%	0.717	60%	0.595	S	S	*	*			trans	-152.5	50.3	-174.9	-126.1	174.2	0	0	0	115.1	T301 K305	T301-L303 PolarHBondContact O-N 2.85Å; L303-K305 HydrophobicContact CD2-CG 4.36Å
304	E	29.4	Very low	45.7	Very low	180 Å²	180	119.1 Å²	119.1	84%	0.841	63%	0.632	S	S	*	*			trans	-96.7	108	164	-70.6	-169.6	143.7	0	0	110.4	H306	E304-H306 PolarHBondContact O-N 3.33Å
305	K	29.3	Very low	42.9	Very low	186 Å²	186	128.2 Å²	128.2	81%	0.809	68%	0.675	S	S	*	*			trans	-84.3	99	172	-70.7	-179.4	177.9	179.1	0	109.1	L303 S307	L303-K305 HydrophobicContact CD2-CG 4.36Å; K305-S307 PolarHBondContact O-N 2.72Å
306	H	33	Very low	40	Very low	180 Å²	180	133.2 Å²	133.2	83%	0.833	70%	0.704	S	S	*	*			trans	-74.4	112.4	168.1	-85	-71.3	0	0	0	111.2	E304	E304-H306 PolarHBondContact O-N 3.33Å
307	S	31.9	Very low	37.2	Very low	117 Å²	117	136.9 Å²	136.9	82%	0.818	73%	0.725	S	S	*	*			trans	-108.1	121.6	162.8	55.6	0	0	0	0	109	K305	K305-S307 PolarHBondContact O-N 2.72Å
308	G	29.9	Very low	34.6	Very low	72 Å²	72	140.5 Å²	140.5	74%	0.742	75%	0.752	S	S	*	*			trans	152.5	95.4	175.7	0	0	0	0	0	114.7
309	D	32	Very low	32.4	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	77%	0.765	S	S	*	*			trans	49.7	109.2	148.9	-70.9	-53.3	0	0	0	123.3
310	K	31.6	Very low	30.7	Very low	156 Å²	156	146 Å²	146	68%	0.678	79%	0.789	S	S	*	*				74.8	127.5	121	-67.9	-178	-177.6	91.6	0	121.9
311	M	28.4	Very low	29.6	Very low	157 Å²	157	141.7 Å²	141.7	77%	0.773	78%	0.779	S	S	*	*			trans	71.2	135.6	140.4	-65.1	166.7	165.7	0	0	117.8
312	D	31.3	Very low	29	Very low	133 Å²	133	146 Å²	146	71%	0.711	79%	0.788	S	S	*	*			cis	-157.5	158.7	-6.5	-122.6	-24.6	0	0	0	114.5
313	S	30.8	Very low	28.9	Very low	87 Å²	87	148.3 Å²	148.3	61%	0.608	79%	0.786	S	S	*	*			trans	62.6	118.2	154.9	68.7	0	0	0	0	122.2
314	N	29.1	Very low	28.7	Very low	150 Å²	150	145.9 Å²	145.9	80%	0.802	78%	0.781	S	S	*	*				56	115.5	128.1	-52.1	-26.2	0	0	0	118.8
315	Q	32.2	Very low	28.5	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	78%	0.775	S	S	*	*				-163.9	149.3	64.2	-87.2	-172.3	1.6	0	0	112
316	N	26.2	Very low	28.3	Very low	160 Å²	160	144.2 Å²	144.2	86%	0.856	78%	0.78	S	S	*	*			trans	-87.1	145.1	173	-70	-49.6	0	0	0	111.3
317	I	29.5	Very low	27.8	Very low	169 Å²	169	142.9 Å²	142.9	87%	0.867	77%	0.772	S	S	*	*			trans	-159	137.2	134.9	-102.2	149.2	0	0	0	108.9
318	S	24.5	Very low	27.4	Very low	119 Å²	119	142.4 Å²	142.4	83%	0.832	76%	0.763	S	S	*	*			trans	-94.8	128.8	-174.8	47.7	0	0	0	0	112.4
319	S	27.7	Very low	27.2	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	77%	0.768	S	S	*	*			trans	-149.8	153.6	162.5	61.5	0	0	0	0	110.5
320	Q	25.5	Very low	27	Very low	201 Å²	201	145.5 Å²	145.5	94%	0.939	76%	0.762	S	S	*	*			trans	-82.4	119.2	-164.7	-65.8	170.4	-17.6	0	0	112.7
321	T	25.1	Very low	26.6	Very low	108 Å²	108	144.2 Å²	144.2	66%	0.663	76%	0.762	S	S	*	*			trans	-129.7	108.4	166.5	50.2	0	0	0	0	111.1	Q323	T321-Q323 PolarHBondContact O-N 2.91Å
322	K	25.2	Very low	26.5	Very low	213 Å²	213	143.6 Å²	143.6	93%	0.926	76%	0.761	S	S	*	*			trans	-79.7	92.9	156.9	-95	-171.4	172.4	-178.3	0	108	S324	K322-S324 PolarHBondContact O-N 3.35Å
323	Q	25.9	Very low	26.2	Very low	164 Å²	164	144 Å²	144	77%	0.766	76%	0.763	S	S	*	*			trans	-53.3	131.3	171.7	-68.3	157.9	-33.2	0	0	109.1	T321	T321-Q323 PolarHBondContact O-N 2.91Å
324	S	24.8	Very low	25.9	Very low	87 Å²	87	146.5 Å²	146.5	61%	0.608	77%	0.769	S	S	*	*			cis	69.3	102.4	23.5	93.1	0	0	0	0	115.3	K322	K322-S324 PolarHBondContact O-N 3.35Å
325	E	23.9	Very low	25.8	Very low	156 Å²	156	142.3 Å²	142.3	73%	0.729	76%	0.761	S	S	*	*			trans	67.3	126.4	140.8	-57.7	177.8	159.7	0	0	120	F327	E325-F327 HydrophobicContact CB-CD2 4.38Å
326	I	25.3	Very low	25.4	Very low	175 Å²	175	141.7 Å²	141.7	90%	0.897	76%	0.758	S	S	*	*			trans	-121	121.8	140.3	-68.5	-178.7	0	0	0	106.7
327	F	22.9	Very low	25.3	Very low	152 Å²	152	140.1 Å²	140.1	67%	0.667	76%	0.759	S	S	*	*			trans	-68.5	133.2	176.2	-99.5	-124.6	0	0	0	110.4	E325	E325-F327 HydrophobicContact CB-CD2 4.38Å
328	V	23.6	Very low	25.2	Very low	107 Å²	107	136.5 Å²	136.5	65%	0.648	76%	0.755	S	S	*	*				64.7	101.3	89.6	178.1	0	0	0	0	114
329	Q	25.2	Very low	25.3	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	76%	0.757	S	S	*	*				47.7	173.5	108.2	-105.4	-166.7	7	0	0	120.3
330	P	28.2	Very low	25.1	Very low	86 Å²	86	144.4 Å²	144.4	56%	0.558	76%	0.762	S	S	*	*			cis	-141.4	-157.8	-1.4	32.3	-6.4	0	0	0	116
331	N	23.9	Very low	25	Very low	129 Å²	129	141.8 Å²	141.8	69%	0.69	75%	0.754	S	S	*	*			trans	93.1	121.9	149.5	-70.6	-5.2	0	0	0	119
332	I	26	Very low	25.1	Very low	143 Å²	143	144.2 Å²	144.2	73%	0.733	76%	0.762	S	S	*	*				81.8	135.3	68.3	-74	175.4	0	0	0	110.8
333	N	24.9	Very low	25	Very low	141 Å²	141	141 Å²	141	75%	0.754	75%	0.753	S	S	*	*			cis	-135.8	-148.4	5.1	-139.8	-17.1	0	0	0	109.7
334	L	24.8	Very low	24.9	Very low	141 Å²	141	140.7 Å²	140.7	74%	0.738	76%	0.756	S	S	*	*			cis	-157.9	-173	-3.4	-135.7	175.9	0	0	0	108.4	E336	L334-E336 HydrophobicContact CD2-CG 4.37Å
335	G	26.3	Very low	24.8	Very low	62 Å²	62	144.5 Å²	144.5	64%	0.639	77%	0.765	S	S	*	*			trans	96.3	92.6	163.8	0	0	0	0	0	114.8
336	E	23.3	Very low	24.9	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	77%	0.768	S	S	*	*				66.2	147	60.3	-64.8	-145.7	122.3	0	0	116.8	L334	L334-E336 HydrophobicContact CD2-CG 4.37Å
337	S	24.3	Very low	25	Very low	126 Å²	126	143.6 Å²	143.6	88%	0.881	76%	0.762	S	S	*	*			trans	73.1	73.5	173	72.4	0	0	0	0	119.5
338	A	27.1	Very low	25.1	Very low	94 Å²	94	145.2 Å²	145.2	78%	0.777	78%	0.777	S	S	*	*			trans	-150.1	95.2	148.4	0	0	0	0	0	112.8
339	L	27.8	Very low	25.3	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	78%	0.779	S	S	*	*			trans	34	103.6	142.6	-54	177.5	0	0	0	116.5
340	R	22.8	Very low	25.4	Very low	226 Å²	226	140.8 Å²	140.8	85%	0.853	78%	0.776	S	S	*	*				47.3	124.1	52.1	-124.1	-175.5	-166.7	-167.1	4.6	112.5
341	N	24	Very low	25.4	Very low	146 Å²	146	144.6 Å²	144.6	78%	0.781	79%	0.791	S	S	*	*			trans	85.6	85	175.8	-49.9	-13.9	0	0	0	117.5
342	I	26.8	Very low	25.6	Very low	159 Å²	159	146.4 Å²	146.4	82%	0.815	80%	0.799	S	S	*	*				-147.5	97	127.4	-90.2	141.5	0	0	0	103.1
343	L	23.9	Very low	25.7	Very low	144 Å²	144	143.1 Å²	143.1	75%	0.754	79%	0.793	S	S	*	*				59.8	99.3	105.6	-63.9	161.6	0	0	0	111.1
344	L	23.4	Very low	26.1	Very low	158 Å²	158	139.5 Å²	139.5	83%	0.827	77%	0.773	S	S	*	*				58.6	139.8	74.3	-81.2	163.1	0	0	0	114.2
345	E	23.5	Very low	26.6	Very low	167 Å²	167	135.6 Å²	135.6	78%	0.78	76%	0.757	S	S	*	*			trans	87.8	118.4	173.8	-57.1	179.6	-170.5	0	0	117.8
346	N	24.3	Very low	27.1	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	74%	0.744	S	S	*	*			trans	71.3	141.6	168.5	-44	-55	0	0	0	115.7
347	E	28.1	Very low	27.8	Very low	164 Å²	164	131.7 Å²	131.7	77%	0.766	74%	0.736	S	S	*	*			cis	-131.9	98.6	14.9	-65	173.8	142.2	0	0	112.3	S349	E347-S349 PolarHBondContact O-N 3.25Å
348	N	25.5	Very low	28.7	Very low	185 Å²	185	130.1 Å²	130.1	99%	0.989	72%	0.715	S	S	*	*			trans	-82.6	56.2	168.9	-94.7	-15.1	0	0	0	111
349	S	26.7	Very low	29.3	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	68%	0.68	S	S	*	*			trans	-157.4	49.6	-166.9	58	0	0	0	0	115.1	E347	E347-S349 PolarHBondContact O-N 3.25Å
350	A	27.9	Very low	29.8	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	66%	0.656	S	S	*	*	S	Bend	trans	-149.3	-10.3	174.9	0	0	0	0	0	116.7	I352	A350-I352 PolarHBondContact O-N 3.19Å
351	L	28.3	Very low	30.7	Very low	166 Å²	166	115 Å²	115	87%	0.869	64%	0.635	S	S	*	*	S	Bend	trans	-93	13.4	-169.7	-83.2	164.4	0	0	0	115.3
352	I	27.2	Very low	31.4	Very low	167 Å²	167	109.9 Å²	109.9	86%	0.856	61%	0.608	S	S	*	*			trans	-126.8	81.7	-171.1	-50.5	175.9	0	0	0	110.3	A350	A350-I352 PolarHBondContact O-N 3.19Å
353	A	29.6	Very low	31.9	Very low	74 Å²	74	103.6 Å²	103.6	61%	0.612	58%	0.575	S	S	*	*			trans	178.2	64.4	156.9	0	0	0	0	0	113.1	F509	A353-F509 HydrophobicContact CB-CE1 4.31Å
354	M	32.2	Very low	32.7	Very low	65 Å²	65	103.1 Å²	103.1	32%	0.32	57%	0.567	S	S	.	*	S	Bend	trans	-107	137.7	137.1	-71.6	-160.2	-56.8	0	0	106.1	T512	M354-T512 HydrophobicContact SD-CG2 4.12Å
355	S	36.8	Very low	33.5	Very low	60 Å²	60	97.4 Å²	97.4	42%	0.42	54%	0.54	S	S	.	.			trans	-63.5	144	-178.4	80.2	0	0	0	0	109.8	N357	S355-N357 PolarHBondContact O-N 2.82Å
356	G	36.7	Very low	34.5	Very low	35 Å²	35	92.9 Å²	92.9	36%	0.361	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-13	176.5	0	0	0	0	0	113.4	N360	G356-N360 VanDerWaalsContact O-CB 3.31Å; G356-N360 WeakPolarHBondContact O-CB 3.45Å; G356-N360 PolarHBondContact O-N 2.98Å; G356-N360 PolarHBondContact O-ND2 3.23Å
357	N	37.5	Very low	35	Very low	122 Å²	122	89.5 Å²	89.5	65%	0.652	50%	0.501	S	S	*	.	H	α-helix	trans	-80.1	-47.2	-173.2	-66.3	-5.4	0	0	0	112.5	S355 L359 N360 E361	S355-N357 PolarHBondContact O-N 2.82Å; N357-L359 PolarHBondContact O-N 2.97Å; N357-N360 CarbonylContact O-C 3.57Å; N357-N360 PolarHBondContact O-N 3Å; N357-N360 VanDerWaalsContact O-N 3.16Å; N357-E361 WeakPolarHBondContact O-CG 3.5Å; N357-E361 PolarHBondContact O-N 3.16Å
358	E	43.2	Very low	35.7	Very low	93 Å²	93	84.3 Å²	84.3	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-40.2	-177.3	-75.6	177.8	-106.8	0	0	112.8	E361 L362 Q536	E358-E361 PolarHBondContact O-N 2.92Å; E358-L362 PolarHBondContact O-N 3.46Å; E358-Q536 PolarHBondContact OE2-NE2 2.87Å; E358-Q536 VanDerWaalsContact OE2-NE2 3.08Å
359	L	39.3	Very low	36.6	Very low	11 Å²	11	83.9 Å²	83.9	6%	0.058	46%	0.463	C	S	.	.	H	α-helix	trans	-72.9	-33.8	176.9	-144	74	0	0	0	111.6	N357 L362 Q363 F609 L612 Q613	N357-L359 PolarHBondContact O-N 2.97Å; L359-L362 HydrophobicContact CD1-CD1 4.3Å; L359-L362 PolarHBondContact O-N 2.87Å; L359-Q363 VanDerWaalsContact O-CB 3.26Å; L359-Q363 WeakPolarHBondContact O-CB 3.48Å; L359-Q363 PolarHBondContact O-N 3.08Å; L359-F609 HydrophobicContact CB-CD2 4.14Å; L359-F609 HydrophobicContact CB-CE2 3.6Å; L359-F609 HydrophobicContact CB-CZ 4.45Å; L359-F609 HydrophobicContact CD2-CD2 3.67Å; L359-F609 HydrophobicContact CD2-CE2 3.57Å; L359-F609 HydrophobicContact CD2-CG 4.27Å; L359-F609 HydrophobicContact CD2-CZ 4.08Å; L359-F609 HydrophobicContact CG-CE2 4.23Å; L359-L612 HydrophobicContact CD2-CB 3.71Å; L359-L612 HydrophobicContact CD2-CD1 4.08Å; L359-L612 HydrophobicContact CG-CB 4.36Å; L359-L612 HydrophobicContact CG-CD1 4.05Å; L359-Q613 HydrophobicContact CD2-CG 4.21Å
360	N	37.3	Very low	37.4	Very low	67 Å²	67	83.4 Å²	83.4	36%	0.358	46%	0.46	S	S	.	.	H	α-helix	trans	-69.4	-32.7	172.5	-90.4	-65.5	0	0	0	112.7	G356 N357 Q363 K364	G356-N360 VanDerWaalsContact O-CB 3.31Å; G356-N360 WeakPolarHBondContact O-CB 3.45Å; G356-N360 PolarHBondContact O-N 2.98Å; G356-N360 PolarHBondContact O-ND2 3.23Å; N357-N360 CarbonylContact O-C 3.57Å; N357-N360 PolarHBondContact O-N 3Å; N357-N360 VanDerWaalsContact O-N 3.16Å; N360-Q363 PolarHBondContact O-N 2.73Å; N360-K364 VanDerWaalsContact O-CB 3.32Å; N360-K364 WeakPolarHBondContact O-CB 3.43Å; N360-K364 WeakPolarHBondContact O-CD 3.08Å; N360-K364 WeakPolarHBondContact O-CG 3.31Å; N360-K364 PolarHBondContact O-N 3.45Å
361	E	42.9	Very low	38.4	Very low	89 Å²	89	87.3 Å²	87.3	42%	0.416	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-43.5	172.6	-81.1	-62.5	110.6	0	0	111.4	N357 E358 K364 S365	N357-E361 WeakPolarHBondContact O-CG 3.5Å; N357-E361 PolarHBondContact O-N 3.16Å; E358-E361 PolarHBondContact O-N 2.92Å; E361-K364 IonicContact OE1-NZ 3.52Å; E361-K364 PolarHBondContact OE1-NZ 2.95Å; E361-S365 PolarHBondContact O-N 2.94Å; E361-S365 VanDerWaalsContact O-N 3.16Å; E361-S365 PolarHBondContact O-OG 2.89Å
362	L	37.8	Very low	39.8	Very low	39 Å²	39	83.9 Å²	83.9	20%	0.204	44%	0.441	C	S	.	.	H	α-helix	trans	-58.4	-57.4	168.4	-72.3	164.6	0	0	0	110.1	E358 L359 K364 S365 W366 I514	E358-L362 PolarHBondContact O-N 3.46Å; L359-L362 HydrophobicContact CD1-CD1 4.3Å; L359-L362 PolarHBondContact O-N 2.87Å; L362-K364 VanDerWaalsContact C-N 3.33Å; L362-K364 PolarHBondContact O-N 3.37Å; L362-S365 PolarHBondContact O-N 2.89Å; L362-S365 PolarHBondContact O-OG 3.02Å; L362-W366 PolarHBondContact O-N 2.95Å; L362-I514 HydrophobicContact CD1-CD1 4.45Å
363	Q	38.8	Very low	41.6	Very low	26 Å²	26	79.5 Å²	79.5	12%	0.121	42%	0.424	C	S	.	.	H	α-helix	trans	-55	-41	-176.9	-161.9	163.4	1.3	0	0	113.8	L359 N360 W366 L606 L612	L359-Q363 VanDerWaalsContact O-CB 3.26Å; L359-Q363 WeakPolarHBondContact O-CB 3.48Å; L359-Q363 PolarHBondContact O-N 3.08Å; N360-Q363 PolarHBondContact O-N 2.73Å; Q363-W366 PolarHBondContact O-N 2.9Å; Q363-L606 HydrophobicContact CG-CD2 3.82Å; Q363-L606 PolarHBondContact NE2-O 3.47Å; Q363-L612 HydrophobicContact CB-CD1 3.98Å; Q363-L612 VanDerWaalsContact CD-CD1 3.43Å; Q363-L612 HydrophobicContact CG-CD1 3.85Å; Q363-L612 VanDerWaalsContact OE1-CD1 3.29Å
364	K	40.5	Very low	43.7	Very low	135 Å²	135	76.2 Å²	76.2	59%	0.587	40%	0.396	S	S	*	.	H	α-helix	trans	-66.6	-37.4	174.2	-73	167.1	-172.3	171.2	0	113.4	N360 E361 L362 W366 T367	N360-K364 VanDerWaalsContact O-CB 3.32Å; N360-K364 WeakPolarHBondContact O-CB 3.43Å; N360-K364 WeakPolarHBondContact O-CD 3.08Å; N360-K364 WeakPolarHBondContact O-CG 3.31Å; N360-K364 PolarHBondContact O-N 3.45Å; E361-K364 IonicContact OE1-NZ 3.52Å; E361-K364 PolarHBondContact OE1-NZ 2.95Å; L362-K364 VanDerWaalsContact C-N 3.33Å; L362-K364 PolarHBondContact O-N 3.37Å; K364-W366 PolarHBondContact O-N 2.94Å; K364-T367 PolarHBondContact O-OG1 3.44Å
365	S	40.5	Very low	45.9	Very low	37 Å²	37	77.5 Å²	77.5	26%	0.259	40%	0.398	S	S	.	.	H	α-helix	trans	-75.5	-6	178.3	57.3	0	0	0	0	113.6	E361 L362	E361-S365 PolarHBondContact O-N 2.94Å; E361-S365 VanDerWaalsContact O-N 3.16Å; E361-S365 PolarHBondContact O-OG 2.89Å; L362-S365 PolarHBondContact O-N 2.89Å; L362-S365 PolarHBondContact O-OG 3.02Å
366	W	43	Very low	48.1	Very low	72 Å²	72	76.3 Å²	76.3	27%	0.273	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.4	-176.8	-75.9	42.1	0	0	0	113.7	L362 Q363 K364 K489 T490 P491 W516	L362-W366 PolarHBondContact O-N 2.95Å; Q363-W366 PolarHBondContact O-N 2.9Å; K364-W366 PolarHBondContact O-N 2.94Å; W366-K489 VanDerWaalsContact CH2-O 3.23Å; W366-K489 WeakPolarHBondContact CH2-O 3.42Å; W366-K489 WeakPolarHBondContact CZ3-O 3.2Å; W366-T490 HydrophobicContact CH2-CG2 4.46Å; W366-T490 HydrophobicContact CZ3-CG2 4.2Å; W366-P491 VanDerWaalsContact CH2-CD 3.41Å; W366-P491 HydrophobicContact CH2-CG 4.48Å; W366-P491 HydrophobicContact CZ2-CG 4.25Å; W366-W516 AromaticContact CH2-CH2 3.77Å; W366-W516 HydrophobicContact CH2-CH2 3.77Å; W366-W516 HydrophobicContact CH2-CZ3 4.26Å; W366-W516 AromaticContact CZ2-CH2 3.41Å; W366-W516 HydrophobicContact CZ2-CH2 3.41Å; W366-W516 VanDerWaalsContact CZ2-CH2 3.41Å; W366-W516 AromaticContact CZ2-CZ2 3.96Å; W366-W516 HydrophobicContact CZ2-CZ2 3.96Å; W366-W516 HydrophobicContact CZ2-CZ3 4.31Å
367	T	34.9	Very low	50.1	Low	79 Å²	79	74.7 Å²	74.7	49%	0.485	37%	0.369	S	S	.	.			trans	-110.2	98.5	177.1	53.8	0	0	0	0	111.4	K364 K369 L606	K364-T367 PolarHBondContact O-OG1 3.44Å; T367-K369 PolarHBondContact O-N 2.72Å; T367-L606 HydrophobicContact CG2-CD1 4.47Å
368	R	44.3	Very low	52.1	Low	54 Å²	54	71 Å²	71	20%	0.204	35%	0.349	C	S	.	.			trans	-46.7	128.8	159.2	-175.8	-179.7	-178.4	-75.7	-9.1	107.9	S370 Q372 C374 M808	R368-S370 WeakPolarHBondContact O-CA 3.42Å; R368-S370 PolarHBondContact O-N 2.92Å; R368-Q372 VanDerWaalsContact CZ-O 3.27Å; R368-Q372 PolarHBondContact NH1-O 3.2Å; R368-Q372 PolarHBondContact NH2-O 3.28Å; R368-C374 PolarHBondContact NH2-SG 2.86Å; R368-M808 VanDerWaalsContact CA-SD 3.59Å; R368-M808 HydrophobicContact CB-SD 3.61Å; R368-M808 PolarHBondContact N-SD 2.8Å
369	K	42.5	Very low	53.4	Low	176 Å²	176	69.2 Å²	69.2	77%	0.765	34%	0.342	S	S	*	.			trans	-57	100.6	176.4	-73.1	-175.8	179.4	178.9	0	108.7	T367 H371 Q372	T367-K369 PolarHBondContact O-N 2.72Å; K369-H371 PolarHBondContact O-N 2.83Å; K369-Q372 PolarHBondContact O-N 2.83Å; K369-Q372 VanDerWaalsContact O-N 3.11Å
370	S	43.9	Very low	54.8	Low	88 Å²	88	71.2 Å²	71.2	62%	0.615	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.8	-158.1	44.8	0	0	0	0	113.9	R368	R368-S370 WeakPolarHBondContact O-CA 3.42Å; R368-S370 PolarHBondContact O-N 2.92Å
371	H	50	Low	56	Low	179 Å²	179	72.3 Å²	72.3	83%	0.829	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.3	-174.6	-55.2	-69.2	0	0	0	114.8	K369	K369-H371 PolarHBondContact O-N 2.83Å
372	Q	58.2	Low	56.6	Low	93 Å²	93	69.3 Å²	69.3	44%	0.435	36%	0.355	S	S	.	.	S	Bend	trans	-87.9	125.1	177.3	-166.6	169.4	-3.3	0	0	110.8	R368 K369	R368-Q372 VanDerWaalsContact CZ-O 3.27Å; R368-Q372 PolarHBondContact NH1-O 3.2Å; R368-Q372 PolarHBondContact NH2-O 3.28Å; K369-Q372 PolarHBondContact O-N 2.83Å; K369-Q372 VanDerWaalsContact O-N 3.11Å
373	P	63.6	Low	57.5	Low	75 Å²	75	70.8 Å²	70.8	49%	0.487	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-67.1	152.4	172.8	28.6	-34.8	0	0	0	110.6
374	C	73.3	Confident	58.1	Low	6 Å²	6	71.2 Å²	71.2	4%	0.041	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-64.3	153.8	167.3	-69.5	0	0	0	0	109.9	R368 C764 N810	R368-C374 PolarHBondContact NH2-SG 2.86Å; C374-C764 HydrophobicContact CB-CB 4.28Å; C374-C764 WeakPolarHBondContact CB-SG 3.26Å; C374-N810 WeakPolarHBondContact CA-OD1 3.39Å
375	R	79.6	Confident	58.8	Low	92 Å²	92	65.4 Å²	65.4	35%	0.347	35%	0.345	S	S	.	.			trans	-124.5	151.8	171.8	-62.5	-173.9	-177.9	179.8	3.7	109.5	P377 Y805 N810 Y828	R375-P377 VanDerWaalsContact O-CD 3.26Å; R375-P377 WeakPolarHBondContact O-CD 3.24Å; R375-Y805 PolarHBondContact O-OH 2.9Å; R375-N810 PolarHBondContact N-OD1 2.97Å; R375-Y828 HydrophobicContact CB-CD1 4.12Å; R375-Y828 HydrophobicContact CB-CD2 3.76Å; R375-Y828 HydrophobicContact CB-CE1 4.35Å; R375-Y828 HydrophobicContact CB-CE2 4Å; R375-Y828 HydrophobicContact CB-CG 3.8Å; R375-Y828 HydrophobicContact CG-CE1 4.45Å; R375-Y828 PolarHBondContact NH1-OH 2.7Å
376	I	83.1	Confident	59.6	Low	35 Å²	35	65.7 Å²	65.7	18%	0.179	35%	0.345	C	S	.	.			trans	-69.9	118	178.5	-63.7	177.8	0	0	0	108.1	F767 V779 V788 A789 Y791 Y828	I376-F767 HydrophobicContact CD1-CD1 4.05Å; I376-F767 HydrophobicContact CD1-CE1 3.8Å; I376-F767 HydrophobicContact CD1-CZ 4.24Å; I376-F767 HydrophobicContact CG1-CD1 4.16Å; I376-F767 HydrophobicContact CG1-CD2 4.38Å; I376-F767 HydrophobicContact CG1-CE1 4.05Å; I376-F767 HydrophobicContact CG1-CE2 4.27Å; I376-F767 HydrophobicContact CG1-CG 4.32Å; I376-F767 HydrophobicContact CG1-CZ 4.11Å; I376-V779 HydrophobicContact CD1-CG1 4.09Å; I376-V779 HydrophobicContact CG1-CG1 4.37Å; I376-V788 HydrophobicContact CD1-CB 3.97Å; I376-V788 HydrophobicContact CD1-CG1 3.45Å; I376-V788 VanDerWaalsContact CD1-CG1 3.45Å; I376-A789 HydrophobicContact CD1-CB 4.5Å; I376-A789 HydrophobicContact CG2-CB 4.36Å; I376-Y791 VanDerWaalsContact CG2-OH 3.24Å; I376-Y791 WeakPolarHBondContact CG2-OH 3.45Å; I376-Y828 WeakPolarHBondContact O-CD2 3.46Å
377	P	78.4	Confident	60.4	Low	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.332	C	S	.	.			trans	-60.7	141.7	177.1	-27.6	40.3	0	0	0	111.6	R375 Y791 Y805 I812	R375-P377 VanDerWaalsContact O-CD 3.26Å; R375-P377 WeakPolarHBondContact O-CD 3.24Å; P377-Y791 WeakPolarHBondContact O-CE1 3.44Å; P377-Y791 PolarHBondContact O-OH 3.46Å; P377-Y805 HydrophobicContact CG-CE2 4.35Å; P377-I812 HydrophobicContact CB-CG2 3.91Å; P377-I812 HydrophobicContact CG-CB 4.14Å; P377-I812 HydrophobicContact CG-CG2 3.71Å
378	N	78.3	Confident	61.3	Low	44 Å²	44	60 Å²	60	24%	0.235	32%	0.319	C	S	.	.			trans	-141.2	-18.1	-169.2	65.1	-9.3	0	0	0	114.8	A827 N829 N833	N378-A827 PolarHBondContact N-O 3.35Å; N378-A827 PolarHBondContact OD1-O 3.24Å; N378-N829 PolarHBondContact ND2-O 3.17Å; N378-N829 PolarHBondContact OD1-N 3.16Å; N378-N829 PolarHBondContact OD1-O 2.73Å; N378-N833 WeakPolarHBondContact ND2-CB 3.36Å; N378-N833 PolarHBondContact ND2-N 3.11Å; N378-N833 PolarHBondContact ND2-OD1 2.88Å
379	I	70.7	Confident	61.8	Low	56 Å²	56	58.6 Å²	58.6	29%	0.287	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.6	164.6	-74	-169.5	0	0	0	108.4	V381 Y826 A827 N829 A832	I379-V381 HydrophobicContact CG2-CG2 4.16Å; I379-V381 PolarHBondContact O-N 3.21Å; I379-Y826 CarbonylContact O-C 3.08Å; I379-Y826 VanDerWaalsContact O-CA 3.24Å; I379-Y826 WeakPolarHBondContact O-CA 3.39Å; I379-A827 PolarHBondContact N-O 3.13Å; I379-A827 PolarHBondContact O-N 3.38Å; I379-N829 HydrophobicContact CB-CB 4.41Å; I379-N829 HydrophobicContact CD1-CB 3.39Å; I379-N829 VanDerWaalsContact CD1-ND2 3.27Å; I379-N829 WeakPolarHBondContact CD1-ND2 3.29Å; I379-N829 HydrophobicContact CG1-CB 3.78Å; I379-A832 HydrophobicContact CD1-CB 3.72Å; I379-A832 HydrophobicContact CG1-CB 3.41Å; I379-A832 VanDerWaalsContact CG1-CB 3.41Å
380	L	69.8	Low	62	Low	53 Å²	53	58.8 Å²	58.8	28%	0.277	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	116.7	157.4	-179.3	89.6	0	0	0	108.7	Y383 A824 Y826	L380-Y383 HydrophobicContact CD1-CD1 3.57Å; L380-Y383 HydrophobicContact CD1-CE1 3.39Å; L380-Y383 HydrophobicContact CD1-CE2 4.42Å; L380-Y383 HydrophobicContact CD1-CG 4.14Å; L380-Y383 HydrophobicContact CD2-CD1 3.87Å; L380-Y383 HydrophobicContact CD2-CD2 3.32Å; L380-Y383 HydrophobicContact CD2-CE1 3.94Å; L380-Y383 HydrophobicContact CD2-CE2 3.41Å; L380-Y383 VanDerWaalsContact CD2-CE2 3.41Å; L380-Y383 HydrophobicContact CD2-CG 3.55Å; L380-Y383 HydrophobicContact CG-CD1 4.33Å; L380-Y383 HydrophobicContact CG-CE1 4.29Å; L380-Y383 HydrophobicContact CG-CG 4.42Å; L380-A824 HydrophobicContact CD1-CB 4.26Å; L380-Y826 HydrophobicContact CB-CD1 4.18Å; L380-Y826 HydrophobicContact CB-CE1 3.85Å; L380-Y826 HydrophobicContact CD1-CD2 3.97Å; L380-Y826 HydrophobicContact CD1-CE1 4.29Å; L380-Y826 HydrophobicContact CD1-CE2 3.5Å; L380-Y826 VanDerWaalsContact CD1-CE2 3.5Å
381	V	62.1	Low	61.9	Low	91 Å²	91	58.9 Å²	58.9	55%	0.552	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	-22.8	175.9	177.9	0	0	0	0	111.3	I379 I825 A827	I379-V381 HydrophobicContact CG2-CG2 4.16Å; I379-V381 PolarHBondContact O-N 3.21Å; V381-I825 PolarHBondContact N-O 3.36Å; V381-A827 HydrophobicContact CG2-CB 3.4Å
382	G	56.5	Low	61.3	Low	26 Å²	26	54.5 Å²	54.5	27%	0.268	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	141.3	167.5	0	0	0	0	0	113.8	I825	G382-I825 PolarHBondContact N-O 3.03Å; G382-I825 PolarHBondContact O-N 3.41Å; G382-I825 VanDerWaalsContact O-N 3.15Å
383	Y	55.1	Low	59.9	Low	70 Å²	70	58.2 Å²	58.2	28%	0.275	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	163	150.8	-71.8	-46	0	0	0	108.8	L380 N793 L794 Q795 A824 Y826	L380-Y383 HydrophobicContact CD1-CD1 3.57Å; L380-Y383 HydrophobicContact CD1-CE1 3.39Å; L380-Y383 HydrophobicContact CD1-CE2 4.42Å; L380-Y383 HydrophobicContact CD1-CG 4.14Å; L380-Y383 HydrophobicContact CD2-CD1 3.87Å; L380-Y383 HydrophobicContact CD2-CD2 3.32Å; L380-Y383 HydrophobicContact CD2-CE1 3.94Å; L380-Y383 HydrophobicContact CD2-CE2 3.41Å; L380-Y383 VanDerWaalsContact CD2-CE2 3.41Å; L380-Y383 HydrophobicContact CD2-CG 3.55Å; L380-Y383 HydrophobicContact CG-CD1 4.33Å; L380-Y383 HydrophobicContact CG-CE1 4.29Å; L380-Y383 HydrophobicContact CG-CG 4.42Å; Y383-N793 PolarHBondContact OH-O 2.94Å; Y383-L794 WeakPolarHBondContact CE1-O 3.34Å; Y383-L794 VanDerWaalsContact OH-C 3.32Å; Y383-L794 PolarHBondContact OH-O 3.36Å; Y383-Q795 HydrophobicContact CD2-CG 4.48Å; Y383-Q795 VanDerWaalsContact CD2-OE1 3.27Å; Y383-Q795 HydrophobicContact CE1-CB 4.28Å; Y383-Q795 HydrophobicContact CE2-CB 4.08Å; Y383-Q795 HydrophobicContact CE2-CG 3.77Å; Y383-Q795 VanDerWaalsContact CE2-OE1 3.3Å; Y383-A824 HydrophobicContact CD1-CB 3.83Å; Y383-A824 HydrophobicContact CE1-CB 3.78Å; Y383-Y826 PolarHBondContact OH-OH 2.99Å
384	G	51.8	Low	58.2	Low	35 Å²	35	61.9 Å²	61.9	36%	0.361	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91.2	23.3	161.3	0	0	0	0	0	116.6	T386	G384-T386 PolarHBondContact O-N 2.87Å; G384-T386 VanDerWaalsContact O-N 3.12Å
385	I	56.5	Low	55.9	Low	13 Å²	13	70.3 Å²	70.3	7%	0.067	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	105.7	149.8	-57.5	-176.2	0	0	0	106.4	Y460 F464 P822 I823 I825	I385-Y460 HydrophobicContact CG2-CD1 3.7Å; I385-Y460 HydrophobicContact CG2-CD2 4.44Å; I385-Y460 HydrophobicContact CG2-CE1 3.13Å; I385-Y460 HydrophobicContact CG2-CE2 3.96Å; I385-Y460 HydrophobicContact CG2-CG 4.33Å; I385-F464 HydrophobicContact CD1-CD1 3.58Å; I385-F464 HydrophobicContact CD1-CD2 4.05Å; I385-F464 HydrophobicContact CD1-CE1 3.42Å; I385-F464 VanDerWaalsContact CD1-CE1 3.42Å; I385-F464 HydrophobicContact CD1-CE2 3.91Å; I385-F464 HydrophobicContact CD1-CG 3.89Å; I385-F464 HydrophobicContact CD1-CZ 3.6Å; I385-P822 WeakPolarHBondContact O-CA 3.27Å; I385-I823 HydrophobicContact CB-CB 4.26Å; I385-I823 HydrophobicContact CB-CD1 4.33Å; I385-I823 HydrophobicContact CG2-CD1 3.98Å; I385-I823 PolarHBondContact O-N 2.96Å; I385-I825 HydrophobicContact CD1-CD1 3.63Å; I385-I825 HydrophobicContact CG1-CD1 4.24Å
386	T	57	Low	53.2	Low	43 Å²	43	73.5 Å²	73.5	26%	0.264	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.1	-175.3	59.3	0	0	0	0	110.6	G384 C388 Y460	G384-T386 PolarHBondContact O-N 2.87Å; G384-T386 VanDerWaalsContact O-N 3.12Å; T386-C388 VanDerWaalsContact C-N 3.27Å; T386-C388 PolarHBondContact OG1-O 3Å; T386-Y460 PolarHBondContact O-OH 2.95Å
387	T	58	Low	50.5	Low	1 Å²	1	79.9 Å²	79.9	1%	0.006	42%	0.416	C	S	.	.	S	Bend	trans	-76.8	-16.7	172	54.1	0	0	0	0	112.3	S413 A416 V432 S821 I823	T387-S413 VanDerWaalsContact CB-OG 3.27Å; T387-S413 WeakPolarHBondContact CB-OG 3.48Å; T387-S413 VanDerWaalsContact OG1-CB 3.31Å; T387-S413 WeakPolarHBondContact OG1-CB 3.45Å; T387-S413 PolarHBondContact OG1-OG 2.93Å; T387-A416 HydrophobicContact CG2-CB 4.19Å; T387-V432 HydrophobicContact CG2-CG2 4.04Å; T387-S821 VanDerWaalsContact CG2-O 3.32Å; T387-S821 WeakPolarHBondContact CG2-O 3.47Å; T387-S821 PolarHBondContact OG1-O 2.76Å; T387-I823 HydrophobicContact CG2-CG1 4.42Å
388	C	55.4	Low	48	Very low	29 Å²	29	84.4 Å²	84.4	20%	0.196	45%	0.447	C	S	.	.	S	Bend	trans	-82.7	146.1	165.7	65.3	0	0	0	0	111.7	T386	T386-C388 VanDerWaalsContact C-N 3.27Å; T386-C388 PolarHBondContact OG1-O 3Å
389	I	53.3	Low	45.4	Very low	25 Å²	25	90.4 Å²	90.4	13%	0.128	48%	0.479	C	S	.	.			trans	-111.1	131.5	169.8	-66.8	-171.8	0	0	0	107.3	T391 P471 E474	I389-T391 PolarHBondContact O-N 3.46Å; I389-P471 HydrophobicContact CD1-CG 3.76Å; I389-P471 HydrophobicContact CG1-CG 4.43Å; I389-E474 VanDerWaalsContact CD1-OE2 3.27Å; I389-E474 WeakPolarHBondContact CD1-OE2 3.46Å
390	K	48.4	Very low	43.2	Very low	181 Å²	181	95.1 Å²	95.1	79%	0.787	50%	0.504	S	S	*	.			trans	-75.2	117.4	170.6	-68.4	-172.3	177	-174.6	0	108.7	D392	K390-D392 VanDerWaalsContact C-N 3.25Å; K390-D392 PolarHBondContact O-N 2.85Å
391	T	41.7	Very low	41.2	Very low	89 Å²	89	101.7 Å²	101.7	55%	0.546	54%	0.536	S	S	.	.			trans	-92.1	46.5	-178.3	52.8	0	0	0	0	112	I389	I389-T391 PolarHBondContact O-N 3.46Å
392	D	36.2	Very low	39.5	Very low	88 Å²	88	100.4 Å²	100.4	47%	0.471	54%	0.541	S	S	.	.			trans	-136.9	88.4	-175.1	-70.7	-65	0	0	0	110.9	K390 N394	K390-D392 VanDerWaalsContact C-N 3.25Å; K390-D392 PolarHBondContact O-N 2.85Å; D392-N394 VanDerWaalsContact C-N 3.28Å; D392-N394 PolarHBondContact O-N 3.04Å; D392-N394 VanDerWaalsContact O-N 3.09Å
393	D	28.9	Very low	38.2	Very low	170 Å²	170	105.6 Å²	105.6	91%	0.909	57%	0.568	S	S	*	*			trans	-75.5	80.2	161.2	-79.6	-43.3	0	0	0	108.9
394	N	27.7	Very low	36.7	Very low	152 Å²	152	110 Å²	110	81%	0.813	60%	0.596	S	S	*	*			trans	-150.9	155	165.4	-93.7	-60	0	0	0	111.7	D392	D392-N394 VanDerWaalsContact C-N 3.28Å; D392-N394 PolarHBondContact O-N 3.04Å; D392-N394 VanDerWaalsContact O-N 3.09Å
395	F	26.1	Very low	35.7	Very low	184 Å²	184	116.7 Å²	116.7	81%	0.807	62%	0.615	S	S	*	*			trans	-84.6	153.4	-166.3	-88.9	-115.2	0	0	0	114.9
396	E	23.5	Very low	34.3	Very low	158 Å²	158	125.8 Å²	125.8	74%	0.738	65%	0.654	S	S	*	*			trans	69.2	177.9	148.9	-73.8	-176.7	135.3	0	0	120.8
397	F	25.3	Very low	32.9	Very low	170 Å²	170	133.6 Å²	133.6	75%	0.746	68%	0.68	S	S	*	*			trans	67.6	94	178	-60.5	-85.7	0	0	0	114.4
398	S	25	Very low	31.5	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	71%	0.706	S	S	*	*				65.6	146.5	60	91.5	0	0	0	0	113.4	D400	S398-D400 PolarHBondContact O-N 3.36Å
399	L	23.7	Very low	30.5	Very low	170 Å²	170	138.5 Å²	138.5	89%	0.89	72%	0.717	S	S	*	*			trans	-66.2	119.1	171.5	-82.6	63.9	0	0	0	108.5
400	D	26.4	Very low	29.9	Very low	155 Å²	155	141.3 Å²	141.3	83%	0.829	74%	0.739	S	S	*	*			trans	-154.5	148	138.7	-138.5	-28	0	0	0	112.4	S398 G402	S398-D400 PolarHBondContact O-N 3.36Å; D400-G402 VanDerWaalsContact C-N 3.26Å; D400-G402 PolarHBondContact O-N 3.27Å; D400-G402 VanDerWaalsContact O-N 3.11Å
401	M	26.7	Very low	29.9	Very low	191 Å²	191	134.3 Å²	134.3	94%	0.941	71%	0.711	S	S	*	*			trans	-90	56.1	-175.2	-74.3	-81.5	-83.7	0	0	111.2
402	G	26.9	Very low	30.5	Very low	63 Å²	63	135.2 Å²	135.2	65%	0.649	71%	0.708	S	S	*	*			trans	-102.5	130.7	-175.3	0	0	0	0	0	114.7	D400 N404	D400-G402 VanDerWaalsContact C-N 3.26Å; D400-G402 PolarHBondContact O-N 3.27Å; D400-G402 VanDerWaalsContact O-N 3.11Å; G402-N404 PolarHBondContact O-N 2.91Å; G402-N404 VanDerWaalsContact O-N 3.16Å
403	T	28	Very low	31.8	Very low	136 Å²	136	131.1 Å²	131.1	83%	0.834	69%	0.686	S	S	*	*	S	Bend	trans	-76.2	95.9	179.2	50.5	0	0	0	0	113
404	N	25.1	Very low	33.7	Very low	161 Å²	161	124.2 Å²	124.2	86%	0.861	65%	0.651	S	S	*	*			trans	-174.8	81.7	150.6	-98.4	-40.6	0	0	0	112.3	G402 K406	G402-N404 PolarHBondContact O-N 2.91Å; G402-N404 VanDerWaalsContact O-N 3.16Å; N404-K406 PolarHBondContact O-N 3.32Å
405	K	30.2	Very low	36	Very low	176 Å²	176	117 Å²	117	77%	0.765	61%	0.612	S	S	*	*			trans	-80.7	113.3	177.4	-73.3	-175.2	176.4	179.1	0	111.9	Y407	K405-Y407 WeakPolarHBondContact O-CD2 3.26Å; K405-Y407 VanDerWaalsContact O-CE2 3.26Å; K405-Y407 WeakPolarHBondContact O-CE2 3.46Å
406	K	26.6	Very low	38.9	Very low	204 Å²	204	108.2 Å²	108.2	89%	0.887	57%	0.574	S	S	*	*			trans	-73.4	136.7	151.9	-71.8	176.5	178.6	172.6	0	107.9	N404	N404-K406 PolarHBondContact O-N 3.32Å
407	Y	28.7	Very low	42	Very low	208 Å²	208	102 Å²	102	82%	0.816	55%	0.545	S	S	*	.			trans	-95.9	134.5	-172.4	-62.2	-88.8	0	0	0	111.3	K405	K405-Y407 WeakPolarHBondContact O-CD2 3.26Å; K405-Y407 VanDerWaalsContact O-CE2 3.26Å; K405-Y407 WeakPolarHBondContact O-CE2 3.46Å
408	C	27.9	Very low	45.2	Very low	80 Å²	80	94 Å²	94	54%	0.541	51%	0.51	S	S	.	.			trans	-114.9	141.2	176.6	-56.5	0	0	0	0	109.8	S410	C408-S410 PolarHBondContact O-N 3.27Å
409	A	34.9	Very low	48.5	Very low	52 Å²	52	90 Å²	90	43%	0.43	48%	0.481	S	S	.	.			trans	-80.4	97.5	-171.7	0	0	0	0	0	111.8	T411 D439	A409-T411 PolarHBondContact O-N 3.41Å; A409-D439 WeakPolarHBondContact CB-OD2 3.49Å
410	S	41	Very low	51.9	Low	84 Å²	84	82.4 Å²	82.4	59%	0.587	44%	0.443	S	S	*	.			trans	-70.2	112.1	-179	62.6	0	0	0	0	112.1	C408	C408-S410 PolarHBondContact O-N 3.27Å
411	T	48.2	Very low	55.1	Low	35 Å²	35	75.9 Å²	75.9	22%	0.215	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-76.2	133.7	167.6	69.6	0	0	0	0	110.3	A409	A409-T411 PolarHBondContact O-N 3.41Å
412	K	54.3	Low	58.2	Low	107 Å²	107	66.8 Å²	66.8	47%	0.465	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.4	174.9	-71.3	-167.5	171.8	-169.7	0	110.3	N435 L437	K412-N435 PolarHBondContact O-N 3.45Å; K412-L437 HydrophobicContact CD-CD1 4.46Å
413	S	63.8	Low	60.9	Low	3 Å²	3	65.1 Å²	65.1	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	149.8	166.1	177.9	0	0	0	0	109.2	T387 G415 P819 D820	T387-S413 VanDerWaalsContact CB-OG 3.27Å; T387-S413 WeakPolarHBondContact CB-OG 3.48Å; T387-S413 VanDerWaalsContact OG1-CB 3.31Å; T387-S413 WeakPolarHBondContact OG1-CB 3.45Å; T387-S413 PolarHBondContact OG1-OG 2.93Å; S413-G415 PolarHBondContact OG-N 2.65Å; S413-G415 VanDerWaalsContact OG-N 3.12Å; S413-P819 WeakPolarHBondContact O-CA 3.47Å; S413-D820 PolarHBondContact N-OD1 3.09Å; S413-D820 PolarHBondContact O-N 2.98Å; S413-D820 VanDerWaalsContact O-N 3.08Å
414	S	67	Low	63.3	Low	24 Å²	24	59.6 Å²	59.6	17%	0.168	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	15.1	168.7	47	0	0	0	0	113.1	I433 V817 G818	S414-I433 PolarHBondContact N-O 2.79Å; S414-I433 VanDerWaalsContact OG-CB 3.31Å; S414-I433 WeakPolarHBondContact OG-CB 3.45Å; S414-I433 VanDerWaalsContact OG-CG2 3.28Å; S414-I433 WeakPolarHBondContact OG-CG2 3.17Å; S414-I433 PolarHBondContact OG-O 2.91Å; S414-V817 WeakPolarHBondContact O-CG1 3.27Å; S414-G818 CarbonylContact C-O 3.55Å; S414-G818 PolarHBondContact O-N 2.94Å
415	G	77.1	Confident	66.1	Low	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100.5	-177	174.1	0	0	0	0	0	113.6	S413 A816 G818	S413-G415 PolarHBondContact OG-N 2.65Å; S413-G415 VanDerWaalsContact OG-N 3.12Å; G415-A816 WeakPolarHBondContact CA-O 3.31Å; G415-G818 PolarHBondContact N-O 2.8Å; G415-G818 VanDerWaalsContact N-O 3.11Å
416	A	86.5	Confident	68.6	Low	1 Å²	1	46.7 Å²	46.7	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.2	-178.2	0	0	0	0	0	110.6	T387 V430 G431 V432 T801 A815 A816	T387-A416 HydrophobicContact CG2-CB 4.19Å; A416-V430 HydrophobicContact CB-CG1 3.66Å; A416-G431 WeakPolarHBondContact CA-O 3.5Å; A416-V432 HydrophobicContact CB-CG2 4.36Å; A416-T801 PolarHBondContact O-OG1 3.12Å; A416-A815 HydrophobicContact CB-CB 3.65Å; A416-A816 PolarHBondContact N-O 3.12Å; A416-A816 CarbonylContact O-C 3.56Å
417	Q	88.9	Confident	71.5	Confident	26 Å²	26	38.4 Å²	38.4	12%	0.121	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-27.7	-170.7	-65.8	-66.2	-27.6	0	0	112.9	G431 I433 I481 I482	Q417-G431 PolarHBondContact N-O 2.94Å; Q417-I433 HydrophobicContact CG-CD1 3.61Å; Q417-I433 HydrophobicContact CG-CG1 4.04Å; Q417-I481 HydrophobicContact CG-CG2 4.4Å; Q417-I482 WeakPolarHBondContact CB-O 3.27Å
418	C	92.9	Very high	74.5	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	144.8	177.3	50.8	0	0	0	0	111.4	V430 G431 I482 V485	C418-V430 WeakPolarHBondContact O-CA 3.41Å; C418-G431 PolarHBondContact O-N 2.98Å; C418-I482 PolarHBondContact SG-O 2.83Å; C418-I482 VanDerWaalsContact SG-O 3.32Å; C418-V485 HydrophobicContact CB-CG2 4.2Å
419	L	94.7	Very high	77.6	Confident	13 Å²	13	24.7 Å²	24.7	7%	0.068	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.6	176.9	-66.8	-179.7	0	0	0	110.8	L428 A429 V430 S802 A813 A815	L419-L428 HydrophobicContact CB-CD1 4.45Å; L419-L428 HydrophobicContact CD2-CD1 4.38Å; L419-A429 WeakPolarHBondContact CA-O 3.5Å; L419-V430 HydrophobicContact CD2-CB 4.13Å; L419-V430 HydrophobicContact CD2-CG1 3.82Å; L419-V430 HydrophobicContact CD2-CG2 3.74Å; L419-S802 PolarHBondContact N-OG 3Å; L419-A813 HydrophobicContact CD1-CB 3.99Å; L419-A813 WeakPolarHBondContact CD1-O 3.39Å; L419-A815 HydrophobicContact CD1-CB 3.65Å; L419-A815 HydrophobicContact CD2-CB 4.07Å; L419-A815 HydrophobicContact CG-CB 3.66Å
420	A	95.2	Very high	80.3	Confident	10 Å²	10	22.2 Å²	22.2	8%	0.083	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	120.6	164.6	0	0	0	0	0	112	A429 V485 W487	A420-A429 PolarHBondContact N-O 3.01Å; A420-A429 PolarHBondContact O-N 2.83Å; A420-V485 HydrophobicContact CB-CG2 3.87Å; A420-W487 PolarHBondContact O-NE1 3.05Å
421	F	93.3	Very high	82.8	Confident	17 Å²	17	18.2 Å²	18.2	8%	0.075	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.5	162.8	-79.3	-73.5	0	0	0	111.2	W427 L428 F462 S804 H806 A813	F421-W427 CarbonylContact C-O 3.5Å; F421-W427 WeakPolarHBondContact CA-O 3.49Å; F421-L428 HydrophobicContact CD1-CB 4.18Å; F421-L428 HydrophobicContact CD1-CD1 4.07Å; F421-L428 HydrophobicContact CD2-CD1 4.14Å; F421-L428 HydrophobicContact CE1-CB 4.09Å; F421-L428 HydrophobicContact CE1-CD1 4.15Å; F421-L428 HydrophobicContact CE1-CG 4.49Å; F421-L428 HydrophobicContact CE2-CD1 4.22Å; F421-L428 HydrophobicContact CG-CD1 4.07Å; F421-L428 HydrophobicContact CZ-CD1 4.22Å; F421-L428 HydrophobicContact CZ-CD2 4.49Å; F421-F462 HydrophobicContact CE1-CD2 4.35Å; F421-F462 HydrophobicContact CE1-CG 4.33Å; F421-S804 WeakPolarHBondContact CE2-O 3.35Å; F421-S804 PolarHBondContact N-OG 3.05Å; F421-H806 AromaticContact CD1-CD2 3.81Å; F421-H806 HydrophobicContact CD2-CB 4.08Å; F421-H806 AromaticContact CE1-CD2 3.87Å; F421-H806 HydrophobicContact CE2-CB 3.98Å; F421-H806 HydrophobicContact CG-CB 4.42Å; F421-H806 HydrophobicContact CZ-CB 4.23Å; F421-A813 HydrophobicContact CE2-CB 3.81Å; F421-A813 HydrophobicContact CZ-CB 4.02Å
422	S	90.6	Very high	84.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.			trans	-69.3	157.3	170.2	57.2	0	0	0	0	111.4	D424 G425 K426 W427 P807	S422-D424 VanDerWaalsContact CB-OD1 3.32Å; S422-D424 WeakPolarHBondContact CB-OD1 3.46Å; S422-D424 PolarHBondContact O-N 2.84Å; S422-D424 PolarHBondContact OG-OD1 3.27Å; S422-G425 WeakPolarHBondContact O-CA 3.38Å; S422-G425 PolarHBondContact O-N 2.89Å; S422-K426 PolarHBondContact OG-N 3.37Å; S422-W427 PolarHBondContact N-O 3.22Å; S422-W427 PolarHBondContact OG-N 2.86Å; S422-W427 PolarHBondContact OG-O 3.13Å; S422-P807 WeakPolarHBondContact O-CG 3.21Å
423	P	85.1	Confident	86.1	Confident	28 Å²	28	11.9 Å²	11.9	18%	0.182	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28	-179.4	-24.7	34.9	0	0	0	114.5	G425 W487 K489 W516	P423-G425 VanDerWaalsContact C-N 3.3Å; P423-W487 HydrophobicContact CG-CB 4.33Å; P423-K489 HydrophobicContact CG-CD 4.34Å; P423-W516 HydrophobicContact CB-CH2 4.21Å; P423-W516 HydrophobicContact CB-CZ3 4.19Å; P423-W516 HydrophobicContact CG-CH2 4.3Å; P423-W516 HydrophobicContact CG-CZ3 3.8Å
424	D	77.6	Confident	86.4	Confident	21 Å²	21	13.4 Å²	13.4	11%	0.112	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.7	173.8	72	-16.5	0	0	0	113.6	S422 K426 W516	S422-D424 VanDerWaalsContact CB-OD1 3.32Å; S422-D424 WeakPolarHBondContact CB-OD1 3.46Å; S422-D424 PolarHBondContact O-N 2.84Å; S422-D424 PolarHBondContact OG-OD1 3.27Å; D424-K426 HydrophobicContact CB-CG 4.36Å; D424-K426 WeakPolarHBondContact O-CG 3.45Å; D424-K426 PolarHBondContact O-N 2.73Å; D424-K426 VanDerWaalsContact O-N 3.15Å; D424-K426 PolarHBondContact OD1-N 2.95Å; D424-K426 VanDerWaalsContact OD1-N 3.13Å; D424-W516 HydrophobicContact CB-CH2 4.11Å; D424-W516 HydrophobicContact CB-CZ2 3.82Å
425	G	84.2	Confident	86.1	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.072	C	C	.	.	S	Bend	trans	74.3	-12.8	-177.1	0	0	0	0	0	115.7	S422 P423 W427 F462 H806	S422-G425 WeakPolarHBondContact O-CA 3.38Å; S422-G425 PolarHBondContact O-N 2.89Å; P423-G425 VanDerWaalsContact C-N 3.3Å; G425-W427 VanDerWaalsContact C-N 3.28Å; G425-W427 PolarHBondContact O-N 3.44Å; G425-F462 WeakPolarHBondContact O-CB 3.49Å; G425-H806 VanDerWaalsContact CA-NE2 3.26Å; G425-H806 WeakPolarHBondContact CA-NE2 3.24Å; G425-H806 PolarHBondContact O-NE2 3.48Å
426	K	82.3	Confident	84.9	Confident	64 Å²	64	20.1 Å²	20.1	28%	0.278	10%	0.096	S	C	.	.	S	Bend	trans	-77.6	-8	-167	-56.9	-170.7	-176.3	-168.9	0	114.7	S422 D424 K461 F462 Y538	S422-K426 PolarHBondContact OG-N 3.37Å; D424-K426 HydrophobicContact CB-CG 4.36Å; D424-K426 WeakPolarHBondContact O-CG 3.45Å; D424-K426 PolarHBondContact O-N 2.73Å; D424-K426 VanDerWaalsContact O-N 3.15Å; D424-K426 PolarHBondContact OD1-N 2.95Å; D424-K426 VanDerWaalsContact OD1-N 3.13Å; K426-K461 WeakPolarHBondContact O-CA 3.33Å; K426-F462 PolarHBondContact O-N 3.28Å; K426-Y538 PolarHBondContact NZ-OH 2.87Å
427	W	88	Confident	82.9	Confident	30 Å²	30	24.7 Å²	24.7	11%	0.114	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.6	-177	-49.5	91.6	0	0	0	111.4	F421 S422 G425 I459 Y460 K461 N472 W487 F534	F421-W427 CarbonylContact C-O 3.5Å; F421-W427 WeakPolarHBondContact CA-O 3.49Å; S422-W427 PolarHBondContact N-O 3.22Å; S422-W427 PolarHBondContact OG-N 2.86Å; S422-W427 PolarHBondContact OG-O 3.13Å; G425-W427 VanDerWaalsContact C-N 3.28Å; G425-W427 PolarHBondContact O-N 3.44Å; W427-I459 HydrophobicContact CB-CG2 4.39Å; W427-I459 HydrophobicContact CE3-CG2 4.07Å; W427-Y460 CarbonylContact C-O 3.51Å; W427-Y460 VanDerWaalsContact CA-O 3.28Å; W427-Y460 WeakPolarHBondContact CA-O 3.39Å; W427-K461 HydrophobicContact CE3-CB 3.98Å; W427-K461 HydrophobicContact CE3-CG 4.32Å; W427-K461 HydrophobicContact CH2-CB 4.31Å; W427-K461 HydrophobicContact CH2-CD 4.3Å; W427-K461 HydrophobicContact CH2-CG 4.17Å; W427-K461 HydrophobicContact CZ3-CB 3.68Å; W427-K461 HydrophobicContact CZ3-CD 4.5Å; W427-K461 HydrophobicContact CZ3-CG 3.99Å; W427-N472 HydrophobicContact CZ3-CB 4.31Å; W427-W487 HydrophobicContact CB-CH2 3.86Å; W427-W487 HydrophobicContact CB-CZ2 3.85Å; W427-W487 HydrophobicContact CG-CH2 4.43Å; W427-F534 AromaticContact CD1-CE2 3.81Å; W427-F534 HydrophobicContact CD2-CD2 4.08Å; W427-F534 HydrophobicContact CD2-CE1 4.32Å; W427-F534 AromaticContact CD2-CE2 3.68Å; W427-F534 HydrophobicContact CD2-CE2 3.68Å; W427-F534 AromaticContact CD2-CZ 3.81Å; W427-F534 HydrophobicContact CD2-CZ 3.81Å; W427-F534 AromaticContact CE2-CD2 3.37Å; W427-F534 AromaticContact CE2-CE2 3.46Å; W427-F534 VanDerWaalsContact CE2-CE2 3.46Å; W427-F534 AromaticContact CE2-CG 3.82Å; W427-F534 AromaticContact CE2-CZ 3.97Å; W427-F534 HydrophobicContact CE3-CE1 4.15Å; W427-F534 HydrophobicContact CE3-CE2 4.32Å; W427-F534 HydrophobicContact CE3-CZ 4Å; W427-F534 AromaticContact CG-CE2 3.91Å; W427-F534 HydrophobicContact CG-CE2 3.91Å; W427-F534 HydrophobicContact CG-CZ 4.24Å; W427-F534 HydrophobicContact CH2-CB 4.21Å; W427-F534 AromaticContact CH2-CD1 3.7Å; W427-F534 HydrophobicContact CH2-CD1 3.7Å; W427-F534 HydrophobicContact CH2-CD2 4.2Å; W427-F534 HydrophobicContact CH2-CE1 4.06Å; W427-F534 AromaticContact CH2-CG 3.78Å; W427-F534 HydrophobicContact CH2-CG 3.78Å; W427-F534 HydrophobicContact CH2-CZ 4.46Å; W427-F534 HydrophobicContact CZ2-CB 3.75Å; W427-F534 AromaticContact CZ2-CD1 3.81Å; W427-F534 HydrophobicContact CZ2-CD1 3.81Å; W427-F534 AromaticContact CZ2-CD2 3.46Å; W427-F534 HydrophobicContact CZ2-CD2 3.46Å; W427-F534 VanDerWaalsContact CZ2-CD2 3.46Å; W427-F534 HydrophobicContact CZ2-CE1 4.25Å; W427-F534 AromaticContact CZ2-CE2 3.95Å; W427-F534 HydrophobicContact CZ2-CE2 3.95Å; W427-F534 AromaticContact CZ2-CG 3.39Å; W427-F534 HydrophobicContact CZ2-CG 3.39Å; W427-F534 HydrophobicContact CZ2-CZ 4.32Å; W427-F534 HydrophobicContact CZ3-CD1 4.12Å; W427-F534 HydrophobicContact CZ3-CE1 4.01Å; W427-F534 HydrophobicContact CZ3-CZ 4.32Å; W427-F534 AromaticContact NE1-CD2 3.48Å; W427-F534 AromaticContact NE1-CE2 3.54Å
428	L	91.4	Very high	80.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.6	171.3	-179.9	61.9	0	0	0	108.9	L419 F421 V430 I459 Y460 F464 A813 I823	L419-L428 HydrophobicContact CB-CD1 4.45Å; L419-L428 HydrophobicContact CD2-CD1 4.38Å; F421-L428 HydrophobicContact CD1-CB 4.18Å; F421-L428 HydrophobicContact CD1-CD1 4.07Å; F421-L428 HydrophobicContact CD2-CD1 4.14Å; F421-L428 HydrophobicContact CE1-CB 4.09Å; F421-L428 HydrophobicContact CE1-CD1 4.15Å; F421-L428 HydrophobicContact CE1-CG 4.49Å; F421-L428 HydrophobicContact CE2-CD1 4.22Å; F421-L428 HydrophobicContact CG-CD1 4.07Å; F421-L428 HydrophobicContact CZ-CD1 4.22Å; F421-L428 HydrophobicContact CZ-CD2 4.49Å; L428-V430 HydrophobicContact CD2-CG2 4.38Å; L428-V430 HydrophobicContact CG-CG2 4.07Å; L428-I459 WeakPolarHBondContact O-CA 3.48Å; L428-Y460 PolarHBondContact N-O 2.9Å; L428-Y460 PolarHBondContact O-N 3.39Å; L428-F464 HydrophobicContact CD2-CZ 4.1Å; L428-A813 HydrophobicContact CD2-CB 4.14Å; L428-I823 HydrophobicContact CD2-CG2 4.5Å
429	A	93.2	Very high	77.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	138.1	171.3	0	0	0	0	0	110.6	L419 A420 V457 L458 I459 W487 L518	L419-A429 WeakPolarHBondContact CA-O 3.5Å; A420-A429 PolarHBondContact N-O 3.01Å; A420-A429 PolarHBondContact O-N 2.83Å; A429-V457 HydrophobicContact CB-CG1 4.21Å; A429-L458 CarbonylContact C-O 3.49Å; A429-L458 WeakPolarHBondContact CA-O 3.29Å; A429-I459 HydrophobicContact CB-CD1 3.76Å; A429-W487 HydrophobicContact CB-CZ2 3.84Å; A429-L518 HydrophobicContact CB-CD1 3.99Å; A429-L518 HydrophobicContact CB-CD2 4.06Å
430	V	92	Very high	74.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	117.9	-172.2	-171.5	0	0	0	0	110	A416 C418 L419 L428 V432 V457 L458 Y460 I823	A416-V430 HydrophobicContact CB-CG1 3.66Å; C418-V430 WeakPolarHBondContact O-CA 3.41Å; L419-V430 HydrophobicContact CD2-CB 4.13Å; L419-V430 HydrophobicContact CD2-CG1 3.82Å; L419-V430 HydrophobicContact CD2-CG2 3.74Å; L428-V430 HydrophobicContact CD2-CG2 4.38Å; L428-V430 HydrophobicContact CG-CG2 4.07Å; V430-V432 HydrophobicContact CB-CG2 4.49Å; V430-V432 HydrophobicContact CG1-CG2 3.72Å; V430-V457 CarbonylContact O-C 3.44Å; V430-V457 VanDerWaalsContact O-CA 3.29Å; V430-V457 WeakPolarHBondContact O-CA 3.49Å; V430-L458 HydrophobicContact CB-CB 4.35Å; V430-L458 PolarHBondContact N-O 2.78Å; V430-L458 PolarHBondContact O-N 2.87Å; V430-Y460 HydrophobicContact CB-CE2 4.4Å; V430-Y460 HydrophobicContact CG2-CD2 3.86Å; V430-Y460 HydrophobicContact CG2-CE2 3.78Å; V430-I823 HydrophobicContact CB-CD1 4.36Å; V430-I823 HydrophobicContact CG1-CD1 3.88Å; V430-I823 HydrophobicContact CG2-CD1 3.63Å
431	G	91.7	Very high	72	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.7	172.1	0	0	0	0	0	111.7	A416 Q417 C418	A416-G431 WeakPolarHBondContact CA-O 3.5Å; Q417-G431 PolarHBondContact N-O 2.94Å; C418-G431 PolarHBondContact O-N 2.98Å
432	V	88.7	Confident	69.1	Low	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138	-175.2	179	0	0	0	0	111.8	T387 A416 V430 R434 C455 S456 L458	T387-V432 HydrophobicContact CG2-CG2 4.04Å; A416-V432 HydrophobicContact CB-CG2 4.36Å; V430-V432 HydrophobicContact CB-CG2 4.49Å; V430-V432 HydrophobicContact CG1-CG2 3.72Å; V432-R434 HydrophobicContact CG1-CG 4.34Å; V432-C455 WeakPolarHBondContact O-CA 3.47Å; V432-S456 PolarHBondContact N-O 3.17Å; V432-S456 PolarHBondContact O-N 3.24Å; V432-S456 VanDerWaalsContact O-N 3.08Å; V432-L458 HydrophobicContact CB-CD1 4.39Å; V432-L458 HydrophobicContact CG2-CD1 3.81Å; V432-L458 HydrophobicContact CG2-CG 4.07Å
433	I	83.4	Confident	66.1	Low	9 Å²	9	55.7 Å²	55.7	5%	0.046	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.1	172.6	-54.3	159.9	0	0	0	109.3	S414 Q417 M453 I481	S414-I433 PolarHBondContact N-O 2.79Å; S414-I433 VanDerWaalsContact OG-CB 3.31Å; S414-I433 WeakPolarHBondContact OG-CB 3.45Å; S414-I433 VanDerWaalsContact OG-CG2 3.28Å; S414-I433 WeakPolarHBondContact OG-CG2 3.17Å; S414-I433 PolarHBondContact OG-O 2.91Å; Q417-I433 HydrophobicContact CG-CD1 3.61Å; Q417-I433 HydrophobicContact CG-CG1 4.04Å; I433-M453 HydrophobicContact CG2-SD 3.99Å; I433-I481 HydrophobicContact CD1-CB 4.29Å; I433-I481 HydrophobicContact CD1-CD1 4.08Å; I433-I481 HydrophobicContact CD1-CG1 3.7Å; I433-I481 HydrophobicContact CD1-CG2 4.07Å; I433-I481 HydrophobicContact CG1-CG1 4.23Å
434	R	71.6	Confident	63.5	Low	35 Å²	35	60 Å²	60	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.4	174.5	-57.5	-179.2	178.9	152.8	-0.7	112.1	V432 D454 E474	V432-R434 HydrophobicContact CG1-CG 4.34Å; R434-D454 WeakPolarHBondContact CB-O 3.35Å; R434-D454 PolarHBondContact N-O 3.35Å; R434-D454 PolarHBondContact O-N 2.79Å; R434-E474 IonicContact CZ-OE1 3.03Å; R434-E474 IonicContact CZ-OE2 3.58Å; R434-E474 VanDerWaalsContact CZ-OE2 3.26Å; R434-E474 IonicContact NH1-OE1 3.52Å; R434-E474 PolarHBondContact NH1-OE1 2.93Å; R434-E474 IonicContact NH1-OE2 3.85Å; R434-E474 PolarHBondContact NH1-OE2 2.86Å; R434-E474 IonicContact NH2-OE1 2.72Å; R434-E474 IonicContact NH2-OE2 3.61Å; R434-E474 PolarHBondContact NH2-OE2 3.18Å
435	N	59.3	Low	61.3	Low	52 Å²	52	65.2 Å²	65.2	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	103.8	169.8	-78.9	-46	0	0	0	109.5	K412 L437	K412-N435 PolarHBondContact O-N 3.45Å; N435-L437 PolarHBondContact O-N 2.75Å; N435-L437 VanDerWaalsContact O-N 3.08Å
436	K	51.9	Low	58.8	Low	114 Å²	114	69.5 Å²	69.5	50%	0.496	40%	0.396	S	S	.	.			trans	-80.6	86.8	173.5	-165.3	171.3	-168.4	169.7	0	110.1	L438	K436-L438 PolarHBondContact O-N 2.97Å
437	L	44.1	Very low	56.3	Low	96 Å²	96	75.8 Å²	75.8	50%	0.503	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-57	128.8	163.4	-77.4	157.3	0	0	0	108.8	K412 N435	K412-L437 HydrophobicContact CD-CD1 4.46Å; N435-L437 PolarHBondContact O-N 2.75Å; N435-L437 VanDerWaalsContact O-N 3.08Å
438	L	38.7	Very low	53.5	Low	135 Å²	135	80.1 Å²	80.1	71%	0.707	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-96.7	130.9	162.6	-85.3	79.5	0	0	0	107.7	K436 N440	K436-L438 PolarHBondContact O-N 2.97Å; L438-N440 PolarHBondContact O-N 3.27Å
439	D	36	Very low	50.7	Low	100 Å²	100	87.9 Å²	87.9	54%	0.535	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-65.7	128.2	179	-71.9	-56.9	0	0	0	112.1	A409 T441	A409-D439 WeakPolarHBondContact CB-OD2 3.49Å; D439-T441 HydrophobicContact CB-CG2 4.19Å; D439-T441 PolarHBondContact O-N 3.3Å
440	N	32.5	Very low	48.1	Very low	166 Å²	166	94.1 Å²	94.1	89%	0.888	53%	0.531	S	S	*	.			trans	-82.8	55.1	177	-80	-41.7	0	0	0	111.5	L438	L438-N440 PolarHBondContact O-N 3.27Å
441	T	35.5	Very low	45.8	Very low	111 Å²	111	100.3 Å²	100.3	68%	0.681	56%	0.564	S	S	*	*			trans	-112.4	48.1	-172.4	56.9	0	0	0	0	113.8	D439	D439-T441 HydrophobicContact CB-CG2 4.19Å; D439-T441 PolarHBondContact O-N 3.3Å
442	T	32.9	Very low	43.9	Very low	145 Å²	145	106.6 Å²	106.6	89%	0.89	59%	0.591	S	S	*	*	S	Bend	trans	-179	134.7	147.7	18	0	0	0	0	111.6
443	G	28.8	Very low	42.5	Very low	63 Å²	63	109.9 Å²	109.9	65%	0.649	61%	0.607	S	S	*	*	S	Bend	trans	67.7	85.3	154.4	0	0	0	0	0	119.4
444	T	28.9	Very low	41.8	Very low	118 Å²	118	112 Å²	112	72%	0.724	62%	0.618	S	S	*	*			trans	65.9	138.3	161.3	69.8	0	0	0	0	118.7	T446	T444-T446 PolarHBondContact O-N 2.56Å
445	P	31.2	Very low	42.4	Very low	131 Å²	131	110.4 Å²	110.4	85%	0.851	61%	0.613	S	S	*	*			trans	-77	83.6	179.3	32.4	-35.3	0	0	0	111.6	K447	P445-K447 PolarHBondContact O-N 3.13Å
446	T	32.3	Very low	43.7	Very low	90 Å²	90	108 Å²	108	55%	0.552	60%	0.6	S	S	*	*			trans	-71	114.5	173	37.9	0	0	0	0	110.5	T444	T444-T446 PolarHBondContact O-N 2.56Å
447	K	29.7	Very low	45.5	Very low	197 Å²	197	102.5 Å²	102.5	86%	0.857	58%	0.576	S	S	*	*	S	Bend	trans	-59.7	150.4	179	-67	-179.1	177.9	179.7	0	110.9	P445	P445-K447 PolarHBondContact O-N 3.13Å
448	S	30	Very low	47.5	Very low	120 Å²	120	98 Å²	98	84%	0.839	55%	0.552	S	S	*	*			trans	58.1	84.7	-176.7	57.8	0	0	0	0	116.2
449	K	32.5	Very low	49.9	Very low	163 Å²	163	91.5 Å²	91.5	71%	0.709	52%	0.519	S	S	*	.			trans	-123.2	121.3	148.5	-72	178.4	-177.7	170.2	0	107.5
450	T	38.7	Very low	52.2	Low	132 Å²	132	86.9 Å²	86.9	81%	0.81	49%	0.494	S	S	*	.			trans	-80.2	127.8	-177.5	48.8	0	0	0	0	110.7	K452	T450-K452 PolarHBondContact O-N 2.85Å
451	N	43.8	Very low	54.6	Low	130 Å²	130	83.3 Å²	83.3	70%	0.695	47%	0.47	S	S	*	.			trans	-60.6	110.9	168.7	-74.1	-8.5	0	0	0	109.2	M453	N451-M453 PolarHBondContact O-N 3.21Å
452	K	50.8	Low	56.6	Low	132 Å²	132	79.4 Å²	79.4	57%	0.574	44%	0.444	S	S	*	.			trans	-85.5	108	173.7	-177.1	171.1	178	-76.1	0	108.2	T450 D454	T450-K452 PolarHBondContact O-N 2.85Å; K452-D454 IonicContact NZ-OD1 3.69Å; K452-D454 PolarHBondContact NZ-OD1 3.14Å; K452-D454 IonicContact NZ-OD2 2.95Å
453	M	59.1	Low	58.4	Low	69 Å²	69	77.3 Å²	77.3	34%	0.34	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.2	167.3	-67	-176.3	179.5	0	0	108.7	I433 N451	I433-M453 HydrophobicContact CG2-SD 3.99Å; N451-M453 PolarHBondContact O-N 3.21Å
454	D	70.3	Confident	60.3	Low	52 Å²	52	76.8 Å²	76.8	28%	0.278	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.9	170.8	-79.8	-35.9	0	0	0	107.1	R434 K452	R434-D454 WeakPolarHBondContact CB-O 3.35Å; R434-D454 PolarHBondContact N-O 3.35Å; R434-D454 PolarHBondContact O-N 2.79Å; K452-D454 IonicContact NZ-OD1 3.69Å; K452-D454 PolarHBondContact NZ-OD1 3.14Å; K452-D454 IonicContact NZ-OD2 2.95Å
455	C	84	Confident	61.6	Low	2 Å²	2	75 Å²	75	1%	0.014	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.4	-176.8	-61.8	0	0	0	0	110.9	V432 G477 H478 D480 I482	V432-C455 WeakPolarHBondContact O-CA 3.47Å; C455-G477 PolarHBondContact O-N 2.62Å; C455-H478 WeakPolarHBondContact CA-O 3.32Å; C455-H478 HydrophobicContact CB-CB 3.79Å; C455-H478 PolarHBondContact N-O 2.83Å; C455-H478 PolarHBondContact O-N 3.46Å; C455-D480 VanDerWaalsContact CB-O 3.32Å; C455-D480 WeakPolarHBondContact CB-O 3.34Å; C455-D480 VanDerWaalsContact SG-C 3.5Å; C455-D480 PolarHBondContact SG-O 3.4Å; C455-D480 VanDerWaalsContact SG-O 3.35Å; C455-I482 HydrophobicContact CB-CD1 4.07Å; C455-I482 HydrophobicContact CB-CG1 4.07Å
456	S	85.7	Confident	62.4	Low	1 Å²	1	76.6 Å²	76.6	1%	0.007	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.7	-167.4	55.3	0	0	0	0	111	V432	V432-S456 PolarHBondContact N-O 3.17Å; V432-S456 PolarHBondContact O-N 3.24Å; V432-S456 VanDerWaalsContact O-N 3.08Å
457	V	89	Confident	63.3	Low	0 Å²	0	81.4 Å²	81.4	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.1	165.2	-172.5	0	0	0	0	108.5	A429 V430 I459 L475 I482 V485 L518	A429-V457 HydrophobicContact CB-CG1 4.21Å; V430-V457 CarbonylContact O-C 3.44Å; V430-V457 VanDerWaalsContact O-CA 3.29Å; V430-V457 WeakPolarHBondContact O-CA 3.49Å; V457-I459 HydrophobicContact CG1-CD1 4.01Å; V457-L475 HydrophobicContact CB-CB 4.16Å; V457-L475 HydrophobicContact CB-CD1 4.41Å; V457-L475 PolarHBondContact N-O 3.39Å; V457-L475 WeakPolarHBondContact O-CB 3.46Å; V457-L475 PolarHBondContact O-N 2.86Å; V457-I482 HydrophobicContact CG2-CD1 3.8Å; V457-I482 HydrophobicContact CG2-CG2 4.47Å; V457-V485 HydrophobicContact CG1-CG1 4.24Å; V457-V485 HydrophobicContact CG2-CG1 4.19Å; V457-L518 HydrophobicContact CG1-CD2 4.19Å
458	L	87.8	Confident	64.3	Low	0 Å²	0	79.2 Å²	79.2	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.2	176.9	-50.1	-174.8	0	0	0	109	A429 V430 V432 Y460 P471 E474	A429-L458 CarbonylContact C-O 3.49Å; A429-L458 WeakPolarHBondContact CA-O 3.29Å; V430-L458 HydrophobicContact CB-CB 4.35Å; V430-L458 PolarHBondContact N-O 2.78Å; V430-L458 PolarHBondContact O-N 2.87Å; V432-L458 HydrophobicContact CB-CD1 4.39Å; V432-L458 HydrophobicContact CG2-CD1 3.81Å; V432-L458 HydrophobicContact CG2-CG 4.07Å; L458-Y460 HydrophobicContact CB-CD2 4.4Å; L458-Y460 HydrophobicContact CB-CE2 3.58Å; L458-Y460 HydrophobicContact CD1-CE2 4.4Å; L458-Y460 WeakPolarHBondContact CD1-OH 3.45Å; L458-P471 HydrophobicContact CB-CB 4.17Å; L458-P471 HydrophobicContact CD2-CG 4.42Å; L458-E474 HydrophobicContact CD2-CB 4.15Å; L458-E474 HydrophobicContact CD2-CG 3.89Å
459	I	87.7	Confident	65.6	Low	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.8	177.2	-47.7	-61.2	0	0	0	108.6	W427 L428 A429 V457 N472 L473 L475 W487 L518 L532 F534	W427-I459 HydrophobicContact CB-CG2 4.39Å; W427-I459 HydrophobicContact CE3-CG2 4.07Å; L428-I459 WeakPolarHBondContact O-CA 3.48Å; A429-I459 HydrophobicContact CB-CD1 3.76Å; V457-I459 HydrophobicContact CG1-CD1 4.01Å; I459-N472 WeakPolarHBondContact O-CB 3.46Å; I459-N472 PolarHBondContact O-N 3.39Å; I459-L473 HydrophobicContact CB-CB 4.21Å; I459-L473 HydrophobicContact CG1-CB 4.44Å; I459-L473 PolarHBondContact N-O 2.84Å; I459-L473 PolarHBondContact O-N 3.45Å; I459-L475 HydrophobicContact CD1-CD1 3.94Å; I459-L475 HydrophobicContact CG1-CD1 3.88Å; I459-L475 HydrophobicContact CG1-CG 4.3Å; I459-W487 HydrophobicContact CD1-CH2 4.46Å; I459-W487 HydrophobicContact CD1-CZ2 4.4Å; I459-W487 HydrophobicContact CG2-CH2 4.38Å; I459-L518 HydrophobicContact CD1-CD2 3.55Å; I459-L532 HydrophobicContact CD1-CD1 4.3Å; I459-L532 HydrophobicContact CG1-CD1 4.26Å; I459-F534 HydrophobicContact CG2-CZ 4.38Å
460	Y	84.6	Confident	67.2	Low	3 Å²	3	72 Å²	72	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.7	175.7	-58	-95.6	0	0	0	110.1	I385 T386 W427 L428 V430 L458 P471 I823	I385-Y460 HydrophobicContact CG2-CD1 3.7Å; I385-Y460 HydrophobicContact CG2-CD2 4.44Å; I385-Y460 HydrophobicContact CG2-CE1 3.13Å; I385-Y460 HydrophobicContact CG2-CE2 3.96Å; I385-Y460 HydrophobicContact CG2-CG 4.33Å; T386-Y460 PolarHBondContact O-OH 2.95Å; W427-Y460 CarbonylContact C-O 3.51Å; W427-Y460 VanDerWaalsContact CA-O 3.28Å; W427-Y460 WeakPolarHBondContact CA-O 3.39Å; L428-Y460 PolarHBondContact N-O 2.9Å; L428-Y460 PolarHBondContact O-N 3.39Å; V430-Y460 HydrophobicContact CB-CE2 4.4Å; V430-Y460 HydrophobicContact CG2-CD2 3.86Å; V430-Y460 HydrophobicContact CG2-CE2 3.78Å; L458-Y460 HydrophobicContact CB-CD2 4.4Å; L458-Y460 HydrophobicContact CB-CE2 3.58Å; L458-Y460 HydrophobicContact CD1-CE2 4.4Å; L458-Y460 WeakPolarHBondContact CD1-OH 3.45Å; Y460-P471 HydrophobicContact CD1-CB 4.05Å; Y460-P471 VanDerWaalsContact CE1-CA 3.4Å; Y460-P471 HydrophobicContact CE1-CB 3.65Å; Y460-P471 HydrophobicContact CE1-CG 4.35Å; Y460-P471 HydrophobicContact CE2-CB 4.28Å; Y460-I823 HydrophobicContact CE2-CD1 4.2Å
461	K	83.2	Confident	68.9	Low	90 Å²	90	66.8 Å²	66.8	39%	0.391	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.5	172.1	-171.8	-177.5	177.1	-173	0	110.3	K426 W427 F464 N472	K426-K461 WeakPolarHBondContact O-CA 3.33Å; W427-K461 HydrophobicContact CE3-CB 3.98Å; W427-K461 HydrophobicContact CE3-CG 4.32Å; W427-K461 HydrophobicContact CH2-CB 4.31Å; W427-K461 HydrophobicContact CH2-CD 4.3Å; W427-K461 HydrophobicContact CH2-CG 4.17Å; W427-K461 HydrophobicContact CZ3-CB 3.68Å; W427-K461 HydrophobicContact CZ3-CD 4.5Å; W427-K461 HydrophobicContact CZ3-CG 3.99Å; K461-F464 VanDerWaalsContact O-CD1 3.26Å; K461-F464 WeakPolarHBondContact O-CD1 3.41Å; K461-N472 VanDerWaalsContact CB-OD1 3.29Å; K461-N472 WeakPolarHBondContact CB-OD1 3.49Å; K461-N472 PolarHBondContact N-OD1 3.01Å
462	F	77.9	Confident	70.4	Confident	29 Å²	29	63.8 Å²	63.8	13%	0.127	31%	0.314	C	S	.	.	S	Bend	trans	-105.7	145.9	171.8	-170.5	-102.1	0	0	0	110.7	F421 G425 K426 F464 H806 V811	F421-F462 HydrophobicContact CE1-CD2 4.35Å; F421-F462 HydrophobicContact CE1-CG 4.33Å; G425-F462 WeakPolarHBondContact O-CB 3.49Å; K426-F462 PolarHBondContact O-N 3.28Å; F462-F464 AromaticContact CD2-CD2 3.89Å; F462-F464 HydrophobicContact CD2-CD2 3.89Å; F462-F464 AromaticContact CD2-CE2 3.5Å; F462-F464 HydrophobicContact CD2-CE2 3.5Å; F462-F464 VanDerWaalsContact CD2-CE2 3.5Å; F462-F464 AromaticContact CD2-CZ 3.86Å; F462-F464 HydrophobicContact CD2-CZ 3.86Å; F462-F464 HydrophobicContact CE2-CD2 4.14Å; F462-F464 AromaticContact CE2-CE2 3.88Å; F462-F464 HydrophobicContact CE2-CE2 3.88Å; F462-H806 AromaticContact CD1-CD2 3.95Å; F462-H806 AromaticContact CD1-NE2 3.63Å; F462-H806 AromaticContact CE1-NE2 3.72Å; F462-V811 HydrophobicContact CE2-CG1 4.13Å; F462-V811 HydrophobicContact CZ-CB 4.4Å; F462-V811 HydrophobicContact CZ-CG1 3.91Å; F462-V811 HydrophobicContact CZ-CG2 4.09Å
463	P	70.8	Confident	71.8	Confident	102 Å²	102	59.1 Å²	59.1	66%	0.662	30%	0.296	S	S	*	.	S	Bend	cis	-63.2	153	-12.7	29.8	-36	0	0	0	112
464	F	68.1	Low	72.9	Confident	52 Å²	52	58 Å²	58	23%	0.228	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-74.6	133.8	177.4	-48.8	-69.5	0	0	0	110	I385 L428 K461 F462 I825	I385-F464 HydrophobicContact CD1-CD1 3.58Å; I385-F464 HydrophobicContact CD1-CD2 4.05Å; I385-F464 HydrophobicContact CD1-CE1 3.42Å; I385-F464 VanDerWaalsContact CD1-CE1 3.42Å; I385-F464 HydrophobicContact CD1-CE2 3.91Å; I385-F464 HydrophobicContact CD1-CG 3.89Å; I385-F464 HydrophobicContact CD1-CZ 3.6Å; L428-F464 HydrophobicContact CD2-CZ 4.1Å; K461-F464 VanDerWaalsContact O-CD1 3.26Å; K461-F464 WeakPolarHBondContact O-CD1 3.41Å; F462-F464 AromaticContact CD2-CD2 3.89Å; F462-F464 HydrophobicContact CD2-CD2 3.89Å; F462-F464 AromaticContact CD2-CE2 3.5Å; F462-F464 HydrophobicContact CD2-CE2 3.5Å; F462-F464 VanDerWaalsContact CD2-CE2 3.5Å; F462-F464 AromaticContact CD2-CZ 3.86Å; F462-F464 HydrophobicContact CD2-CZ 3.86Å; F462-F464 HydrophobicContact CE2-CD2 4.14Å; F462-F464 AromaticContact CE2-CE2 3.88Å; F462-F464 HydrophobicContact CE2-CE2 3.88Å; F464-I825 HydrophobicContact CD2-CD1 4.11Å; F464-I825 HydrophobicContact CD2-CG1 4.5Å; F464-I825 HydrophobicContact CE2-CB 4.39Å; F464-I825 HydrophobicContact CE2-CD1 3.58Å; F464-I825 HydrophobicContact CE2-CG1 3.71Å; F464-I825 HydrophobicContact CE2-CG2 4.28Å; F464-I825 HydrophobicContact CZ-CD1 4.17Å; F464-I825 HydrophobicContact CZ-CG1 4.4Å
465	D	57.1	Low	73.6	Confident	81 Å²	81	55.8 Å²	55.8	43%	0.433	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-86.8	130.9	170.1	174.6	-0.3	0	0	0	108.3	K467 R468	D465-K467 PolarHBondContact O-N 3.04Å; D465-K467 PolarHBondContact OD1-N 3.43Å; D465-R468 PolarHBondContact O-N 2.82Å
466	N	47.9	Very low	73.4	Confident	164 Å²	164	57.1 Å²	57.1	88%	0.877	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-20	177.8	-68.2	-1.3	0	0	0	113.3
467	K	50.4	Low	72.9	Confident	190 Å²	190	59 Å²	59	83%	0.826	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	1.7	176.5	-60.7	-179.9	-179.1	179	0	114.6	D465	D465-K467 PolarHBondContact O-N 3.04Å; D465-K467 PolarHBondContact OD1-N 3.43Å
468	R	51.2	Low	72.7	Confident	151 Å²	151	59.1 Å²	59.1	57%	0.57	31%	0.309	S	S	*	.			trans	-132.2	93.2	-174	-70.1	-175.2	174.5	158.2	1.9	114	D465	D465-R468 PolarHBondContact O-N 2.82Å
469	S	57.8	Low	72.5	Confident	60 Å²	60	62.4 Å²	62.4	42%	0.42	33%	0.332	S	S	.	.			trans	-79.3	-18.6	166.2	57.5	0	0	0	0	114.1
470	Q	65.4	Low	72.4	Confident	71 Å²	71	64.8 Å²	64.8	33%	0.332	34%	0.344	S	S	.	.	S	Bend	trans	-91.2	147.9	-174.1	-63	-54.5	-62.9	0	0	113
471	P	74.5	Confident	72.6	Confident	23 Å²	23	66.8 Å²	66.8	15%	0.149	36%	0.355	C	S	.	.			trans	-65	146.6	177.2	25.8	-33.1	0	0	0	112.9	I389 L458 Y460 L473	I389-P471 HydrophobicContact CD1-CG 3.76Å; I389-P471 HydrophobicContact CG1-CG 4.43Å; L458-P471 HydrophobicContact CB-CB 4.17Å; L458-P471 HydrophobicContact CD2-CG 4.42Å; Y460-P471 HydrophobicContact CD1-CB 4.05Å; Y460-P471 VanDerWaalsContact CE1-CA 3.4Å; Y460-P471 HydrophobicContact CE1-CB 3.65Å; Y460-P471 HydrophobicContact CE1-CG 4.35Å; Y460-P471 HydrophobicContact CE2-CB 4.28Å; P471-L473 VanDerWaalsContact C-N 3.26Å; P471-L473 PolarHBondContact O-N 2.77Å
472	N	75.8	Confident	73.1	Confident	67 Å²	67	62.5 Å²	62.5	36%	0.358	34%	0.336	S	S	.	.	S	Bend	trans	-67.7	-28.9	173.4	-77.7	89.5	0	0	0	112.5	W427 I459 K461	W427-N472 HydrophobicContact CZ3-CB 4.31Å; I459-N472 WeakPolarHBondContact O-CB 3.46Å; I459-N472 PolarHBondContact O-N 3.39Å; K461-N472 VanDerWaalsContact CB-OD1 3.29Å; K461-N472 WeakPolarHBondContact CB-OD1 3.49Å; K461-N472 PolarHBondContact N-OD1 3.01Å
473	L	79.6	Confident	73.8	Confident	35 Å²	35	63 Å²	63	18%	0.183	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	139.2	175.9	178.6	61	0	0	0	110.7	I459 P471 L475 L532 I581	I459-L473 HydrophobicContact CB-CB 4.21Å; I459-L473 HydrophobicContact CG1-CB 4.44Å; I459-L473 PolarHBondContact N-O 2.84Å; I459-L473 PolarHBondContact O-N 3.45Å; P471-L473 VanDerWaalsContact C-N 3.26Å; P471-L473 PolarHBondContact O-N 2.77Å; L473-L475 HydrophobicContact CD2-CD2 3.74Å; L473-L475 HydrophobicContact CD2-CG 4.41Å; L473-L475 HydrophobicContact CG-CD2 3.94Å; L473-L475 HydrophobicContact CG-CG 4.36Å; L473-L532 HydrophobicContact CD2-CD2 3.89Å; L473-I581 HydrophobicContact CD1-CD1 3.58Å; L473-I581 HydrophobicContact CD2-CD1 3.67Å; L473-I581 HydrophobicContact CD2-CG1 4.27Å; L473-I581 HydrophobicContact CG-CD1 4.24Å
474	E	82.7	Confident	75	Confident	46 Å²	46	58.3 Å²	58.3	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.4	166.1	175.9	172.4	152.4	0	0	110.2	I389 R434 L458 A476	I389-E474 VanDerWaalsContact CD1-OE2 3.27Å; I389-E474 WeakPolarHBondContact CD1-OE2 3.46Å; R434-E474 IonicContact CZ-OE1 3.03Å; R434-E474 IonicContact CZ-OE2 3.58Å; R434-E474 VanDerWaalsContact CZ-OE2 3.26Å; R434-E474 IonicContact NH1-OE1 3.52Å; R434-E474 PolarHBondContact NH1-OE1 2.93Å; R434-E474 IonicContact NH1-OE2 3.85Å; R434-E474 PolarHBondContact NH1-OE2 2.86Å; R434-E474 IonicContact NH2-OE1 2.72Å; R434-E474 IonicContact NH2-OE2 3.61Å; R434-E474 PolarHBondContact NH2-OE2 3.18Å; L458-E474 HydrophobicContact CD2-CB 4.15Å; L458-E474 HydrophobicContact CD2-CG 3.89Å; E474-A476 HydrophobicContact CG-CB 4.36Å
475	L	84	Confident	76.3	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	78.1	174.6	-56.4	173.6	0	0	0	108.4	V457 I459 L473 L518 W530 L532 I581	V457-L475 HydrophobicContact CB-CB 4.16Å; V457-L475 HydrophobicContact CB-CD1 4.41Å; V457-L475 PolarHBondContact N-O 3.39Å; V457-L475 WeakPolarHBondContact O-CB 3.46Å; V457-L475 PolarHBondContact O-N 2.86Å; I459-L475 HydrophobicContact CD1-CD1 3.94Å; I459-L475 HydrophobicContact CG1-CD1 3.88Å; I459-L475 HydrophobicContact CG1-CG 4.3Å; L473-L475 HydrophobicContact CD2-CD2 3.74Å; L473-L475 HydrophobicContact CD2-CG 4.41Å; L473-L475 HydrophobicContact CG-CD2 3.94Å; L473-L475 HydrophobicContact CG-CG 4.36Å; L475-L518 HydrophobicContact CD1-CD2 3.98Å; L475-W530 HydrophobicContact CB-CD2 4.06Å; L475-W530 HydrophobicContact CB-CE3 4.02Å; L475-W530 HydrophobicContact CB-CH2 3.93Å; L475-W530 HydrophobicContact CB-CZ2 3.98Å; L475-W530 HydrophobicContact CB-CZ3 3.95Å; L475-W530 HydrophobicContact CD1-CB 4.17Å; L475-W530 HydrophobicContact CD1-CD2 3.91Å; L475-W530 HydrophobicContact CD1-CE3 4.33Å; L475-W530 HydrophobicContact CD1-CG 3.83Å; L475-W530 HydrophobicContact CD2-CD2 4.27Å; L475-W530 HydrophobicContact CD2-CE3 3.83Å; L475-W530 HydrophobicContact CD2-CZ3 4.25Å; L475-W530 HydrophobicContact CG-CD2 4.31Å; L475-W530 HydrophobicContact CG-CE3 4.28Å; L475-L532 HydrophobicContact CD1-CD1 4.32Å; L475-L532 HydrophobicContact CD1-CD2 3.97Å; L475-L532 HydrophobicContact CD2-CD2 3.86Å; L475-I581 HydrophobicContact CD2-CG2 4.29Å
476	A	81.3	Confident	78.2	Confident	29 Å²	29	54 Å²	54	24%	0.24	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	147.5	175.8	0	0	0	0	0	111.4	E474	E474-A476 HydrophobicContact CG-CB 4.36Å
477	G	74.2	Confident	80.4	Confident	41 Å²	41	46.2 Å²	46.2	42%	0.423	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	151.6	-14	168	0	0	0	0	0	116	C455 R528	C455-G477 PolarHBondContact O-N 2.62Å; G477-R528 PolarHBondContact O-NH2 2.86Å
478	H	84.4	Confident	82.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.1	171.6	-76.4	-89.5	0	0	0	109.7	C455 I482 S520 S522 D524 R528	C455-H478 WeakPolarHBondContact CA-O 3.32Å; C455-H478 HydrophobicContact CB-CB 3.79Å; C455-H478 PolarHBondContact N-O 2.83Å; C455-H478 PolarHBondContact O-N 3.46Å; H478-I482 HydrophobicContact CB-CD1 3.98Å; H478-I482 HydrophobicContact CB-CG1 3.86Å; H478-S520 PolarHBondContact CE1-O 3.14Å; H478-S520 PolarHBondContact NE2-OG 2.88Å; H478-S522 VanDerWaalsContact CE1-CB 3.45Å; H478-S522 WeakPolarHBondContact CE1-CB 3.47Å; H478-S522 WeakPolarHBondContact ND1-CB 3.4Å; H478-S522 PolarHBondContact ND1-OG 3.03Å; H478-D524 WeakPolarHBondContact CA-OD2 3.47Å; H478-D524 IonicContact CG-OD2 3.26Å; H478-D524 IonicContact ND1-OD1 2.65Å; H478-D524 IonicContact ND1-OD2 2.77Å; H478-D524 PolarHBondContact ND1-OD2 3.23Å; H478-R528 PolarHBondContact CD2-NH1 3.02Å; H478-R528 PolarHBondContact CE1-NH1 3.22Å; H478-R528 PolarHBondContact ND1-NH1 3.43Å; H478-R528 PolarHBondContact NE2-NH1 3.35Å
479	S	83.5	Confident	83.9	Confident	70 Å²	70	33 Å²	33	49%	0.49	19%	0.192	S	C	.	.	S	Bend	trans	-95.6	6.7	178.7	62.7	0	0	0	0	113.7	D524	S479-D524 PolarHBondContact N-OD2 3.37Å; S479-D524 WeakPolarHBondContact OG-CB 3.11Å
480	D	86.5	Confident	84.9	Confident	49 Å²	49	30.9 Å²	30.9	26%	0.262	18%	0.177	S	C	.	.	S	Bend	trans	-162.5	172.5	-171.7	-150.8	-25.1	0	0	0	109.6	C455 S522 A523 D524	C455-D480 VanDerWaalsContact CB-O 3.32Å; C455-D480 WeakPolarHBondContact CB-O 3.34Å; C455-D480 VanDerWaalsContact SG-C 3.5Å; C455-D480 PolarHBondContact SG-O 3.4Å; C455-D480 VanDerWaalsContact SG-O 3.35Å; D480-S522 PolarHBondContact O-OG 3.47Å; D480-S522 VanDerWaalsContact O-OG 3.09Å; D480-A523 HydrophobicContact CB-CB 3.87Å; D480-D524 HydrophobicContact CB-CB 3.96Å
481	I	88.8	Confident	85.4	Confident	45 Å²	45	27.9 Å²	27.9	23%	0.231	16%	0.164	C	C	.	.			trans	-48.1	136.4	-172.8	-58	-174.8	0	0	0	112.6	Q417 I433 Y483 S522 A523	Q417-I481 HydrophobicContact CG-CG2 4.4Å; I433-I481 HydrophobicContact CD1-CB 4.29Å; I433-I481 HydrophobicContact CD1-CD1 4.08Å; I433-I481 HydrophobicContact CD1-CG1 3.7Å; I433-I481 HydrophobicContact CD1-CG2 4.07Å; I433-I481 HydrophobicContact CG1-CG1 4.23Å; I481-Y483 HydrophobicContact CB-CE1 4.23Å; I481-Y483 HydrophobicContact CG2-CD1 3.72Å; I481-Y483 HydrophobicContact CG2-CE1 3.57Å; I481-Y483 HydrophobicContact CG2-CG 4.4Å; I481-S522 CarbonylContact O-C 3.53Å; I481-S522 WeakPolarHBondContact O-CA 3.35Å; I481-S522 WeakPolarHBondContact O-CB 3.24Å; I481-S522 PolarHBondContact O-OG 3.46Å; I481-A523 HydrophobicContact CB-CB 4.31Å; I481-A523 PolarHBondContact O-N 2.94Å
482	I	92.9	Very high	85.4	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	104.8	175.2	-54.3	173.2	0	0	0	108.3	Q417 C418 C455 V457 H478 V485 G521	Q417-I482 WeakPolarHBondContact CB-O 3.27Å; C418-I482 PolarHBondContact SG-O 2.83Å; C418-I482 VanDerWaalsContact SG-O 3.32Å; C455-I482 HydrophobicContact CB-CD1 4.07Å; C455-I482 HydrophobicContact CB-CG1 4.07Å; V457-I482 HydrophobicContact CG2-CD1 3.8Å; V457-I482 HydrophobicContact CG2-CG2 4.47Å; H478-I482 HydrophobicContact CB-CD1 3.98Å; H478-I482 HydrophobicContact CB-CG1 3.86Å; I482-V485 HydrophobicContact CG2-CG1 4.24Å; I482-G521 CarbonylContact C-O 3.47Å; I482-G521 WeakPolarHBondContact CA-O 3.44Å
483	Y	93.8	Very high	84.9	Confident	38 Å²	38	25 Å²	25	15%	0.149	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-26.9	-173.8	-66.5	-58.8	0	0	0	113.9	I481 G521 A523 F591 Y593 L756 R758	I481-Y483 HydrophobicContact CB-CE1 4.23Å; I481-Y483 HydrophobicContact CG2-CD1 3.72Å; I481-Y483 HydrophobicContact CG2-CE1 3.57Å; I481-Y483 HydrophobicContact CG2-CG 4.4Å; Y483-G521 PolarHBondContact N-O 3.4Å; Y483-A523 HydrophobicContact CE2-CB 3.74Å; Y483-F591 HydrophobicContact CE2-CB 4.31Å; Y483-Y593 HydrophobicContact CD1-CD1 4.27Å; Y483-Y593 AromaticContact CD2-CD1 3.59Å; Y483-Y593 HydrophobicContact CD2-CD1 3.59Å; Y483-Y593 HydrophobicContact CD2-CE1 4.06Å; Y483-Y593 HydrophobicContact CD2-CG 4.41Å; Y483-Y593 HydrophobicContact CE1-CD1 4.34Å; Y483-Y593 HydrophobicContact CE1-CE1 4.29Å; Y483-Y593 AromaticContact CE2-CD1 3.66Å; Y483-Y593 HydrophobicContact CE2-CD1 3.66Å; Y483-Y593 AromaticContact CE2-CE1 3.61Å; Y483-Y593 HydrophobicContact CE2-CE1 3.61Å; Y483-Y593 AromaticContact CG-CD1 3.9Å; Y483-Y593 HydrophobicContact CG-CD1 3.9Å; Y483-Y593 AromaticContact CZ-CE1 3.74Å; Y483-L756 HydrophobicContact CD1-CD2 3.6Å; Y483-L756 HydrophobicContact CE1-CD2 4.28Å; Y483-L756 HydrophobicContact CG-CD2 4.23Å; Y483-R758 PolarHBondContact O-NE 3.38Å; Y483-R758 PolarHBondContact O-NH2 2.76Å
484	S	95.1	Very high	84	Confident	5 Å²	5	26 Å²	26	4%	0.035	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	140.2	-170	179.8	0	0	0	0	111.8	S520 G521 Y593 V595	S484-S520 WeakPolarHBondContact O-CA 3.37Å; S484-G521 PolarHBondContact O-N 2.92Å; S484-Y593 WeakPolarHBondContact CB-O 3.15Å; S484-V595 PolarHBondContact OG-N 3.4Å; S484-V595 VanDerWaalsContact OG-N 3.1Å
485	V	96.2	Very high	82.5	Confident	13 Å²	13	27.9 Å²	27.9	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.1	169.3	-71.1	0	0	0	0	109.6	C418 A420 V457 I482 L518 A519	C418-V485 HydrophobicContact CB-CG2 4.2Å; A420-V485 HydrophobicContact CB-CG2 3.87Å; V457-V485 HydrophobicContact CG1-CG1 4.24Å; V457-V485 HydrophobicContact CG2-CG1 4.19Å; I482-V485 HydrophobicContact CG2-CG1 4.24Å; V485-L518 HydrophobicContact CB-CD1 4.39Å; V485-A519 VanDerWaalsContact CA-O 3.26Å; V485-A519 WeakPolarHBondContact CA-O 3.39Å
486	D	96	Very high	80.5	Confident	28 Å²	28	31.5 Å²	31.5	15%	0.15	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.2	170.4	-173.2	33.4	0	0	0	112.2	K489 A519 V595 A596 F597	D486-K489 IonicContact OD1-NZ 2.77Å; D486-K489 PolarHBondContact OD1-NZ 3.38Å; D486-K489 IonicContact OD2-NZ 3.62Å; D486-K489 PolarHBondContact OD2-NZ 3.24Å; D486-A519 PolarHBondContact N-O 3.46Å; D486-A519 PolarHBondContact O-N 2.82Å; D486-V595 HydrophobicContact CB-CG2 4.36Å; D486-A596 WeakPolarHBondContact OD2-CA 3.42Å; D486-F597 HydrophobicContact CB-CD2 4.41Å; D486-F597 WeakPolarHBondContact O-CE2 3.34Å; D486-F597 PolarHBondContact OD2-N 2.93Å
487	W	94	Very high	78.4	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.9	177.8	-65.3	90.6	0	0	0	111.7	A420 P423 W427 A429 I459 K489 W516 L518 L532 F534 F597	A420-W487 PolarHBondContact O-NE1 3.05Å; P423-W487 HydrophobicContact CG-CB 4.33Å; W427-W487 HydrophobicContact CB-CH2 3.86Å; W427-W487 HydrophobicContact CB-CZ2 3.85Å; W427-W487 HydrophobicContact CG-CH2 4.43Å; A429-W487 HydrophobicContact CB-CZ2 3.84Å; I459-W487 HydrophobicContact CD1-CH2 4.46Å; I459-W487 HydrophobicContact CD1-CZ2 4.4Å; I459-W487 HydrophobicContact CG2-CH2 4.38Å; W487-K489 WeakPolarHBondContact O-CD 3.48Å; W487-K489 WeakPolarHBondContact O-CE 3.42Å; W487-K489 PolarHBondContact O-NZ 2.84Å; W487-W516 HydrophobicContact CE3-CB 4.24Å; W487-W516 HydrophobicContact CZ3-CB 3.9Å; W487-W516 HydrophobicContact CZ3-CG 4.48Å; W487-L518 HydrophobicContact CD2-CB 4.41Å; W487-L518 HydrophobicContact CD2-CD1 3.83Å; W487-L518 HydrophobicContact CE3-CB 4.07Å; W487-L518 HydrophobicContact CE3-CD1 4.34Å; W487-L518 HydrophobicContact CG-CD1 4Å; W487-L518 HydrophobicContact CZ2-CD1 4.45Å; W487-L518 HydrophobicContact CZ3-CB 4.3Å; W487-L532 HydrophobicContact CH2-CD1 3.92Å; W487-L532 HydrophobicContact CZ3-CD1 3.91Å; W487-F534 HydrophobicContact CH2-CZ 4.48Å; W487-F597 VanDerWaalsContact C-CD2 3.45Å
488	A	90.9	Very high	76.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.			trans	-64.1	138.5	167.7	0	0	0	0	0	110.3	T490 I517 F597	A488-T490 VanDerWaalsContact C-N 3.26Å; A488-T490 PolarHBondContact O-N 3.24Å; A488-I517 HydrophobicContact CB-CB 3.83Å; A488-I517 HydrophobicContact CB-CG2 4.43Å; A488-I517 PolarHBondContact N-O 3.33Å; A488-F597 HydrophobicContact CB-CD1 3.92Å; A488-F597 HydrophobicContact CB-CD2 4.23Å; A488-F597 HydrophobicContact CB-CE1 3.89Å; A488-F597 HydrophobicContact CB-CE2 4.21Å; A488-F597 HydrophobicContact CB-CG 4.09Å; A488-F597 HydrophobicContact CB-CZ 4.05Å
489	K	85.6	Confident	73.8	Confident	63 Å²	63	51.1 Å²	51.1	27%	0.274	26%	0.26	S	S	.	.	S	Bend	trans	-77	-8.7	-171	-45.7	-49.8	171.7	-152.9	0	114.1	W366 P423 D486 W487	W366-K489 VanDerWaalsContact CH2-O 3.23Å; W366-K489 WeakPolarHBondContact CH2-O 3.42Å; W366-K489 WeakPolarHBondContact CZ3-O 3.2Å; P423-K489 HydrophobicContact CG-CD 4.34Å; D486-K489 IonicContact OD1-NZ 2.77Å; D486-K489 PolarHBondContact OD1-NZ 3.38Å; D486-K489 IonicContact OD2-NZ 3.62Å; D486-K489 PolarHBondContact OD2-NZ 3.24Å; W487-K489 WeakPolarHBondContact O-CD 3.48Å; W487-K489 WeakPolarHBondContact O-CE 3.42Å; W487-K489 PolarHBondContact O-NZ 2.84Å
490	T	78.5	Confident	71.4	Confident	17 Å²	17	52.1 Å²	52.1	10%	0.104	27%	0.268	C	S	.	.	S	Bend	trans	-130.7	144.3	172.1	45.3	0	0	0	0	111	W366 A488 H620	W366-T490 HydrophobicContact CH2-CG2 4.46Å; W366-T490 HydrophobicContact CZ3-CG2 4.2Å; A488-T490 VanDerWaalsContact C-N 3.26Å; A488-T490 PolarHBondContact O-N 3.24Å; T490-H620 PolarHBondContact O-CE1 3.28Å; T490-H620 VanDerWaalsContact O-CE1 3.23Å; T490-H620 PolarHBondContact OG1-CE1 2.98Å; T490-H620 VanDerWaalsContact OG1-CE1 3.3Å
491	P	75.8	Confident	68.6	Low	8 Å²	8	56.6 Å²	56.6	5%	0.052	30%	0.297	C	S	.	.			trans	-80.3	160.8	168.8	34.6	-37.1	0	0	0	111.3	W366 I514 F515 W516	W366-P491 VanDerWaalsContact CH2-CD 3.41Å; W366-P491 HydrophobicContact CH2-CG 4.48Å; W366-P491 HydrophobicContact CZ2-CG 4.25Å; P491-I514 HydrophobicContact CB-CG2 3.81Å; P491-I514 HydrophobicContact CG-CG2 4.25Å; P491-F515 CarbonylContact C-O 3.56Å; P491-F515 WeakPolarHBondContact CA-O 3.3Å; P491-F515 WeakPolarHBondContact CB-O 3.37Å; P491-W516 HydrophobicContact CB-CD2 4.16Å; P491-W516 HydrophobicContact CB-CE3 4.34Å
492	V	73.1	Confident	66.1	Low	12 Å²	12	62.7 Å²	62.7	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	174.1	-179.8	0	0	0	0	109.7	F515 I517 V616 H620	V492-F515 PolarHBondContact N-O 3.48Å; V492-F515 PolarHBondContact O-N 2.87Å; V492-I517 HydrophobicContact CG2-CD1 3.93Å; V492-V616 WeakPolarHBondContact CA-O 3.39Å; V492-H620 WeakPolarHBondContact CG2-NE2 3.49Å
493	I	66.9	Low	63	Low	17 Å²	17	72.8 Å²	72.8	9%	0.087	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.6	175.1	-67.7	-176.3	0	0	0	111.2	N495 T512 K513 I514 V616	I493-N495 WeakPolarHBondContact CG2-OD1 3.14Å; I493-T512 HydrophobicContact CD1-CG2 4.46Å; I493-T512 HydrophobicContact CG2-CG2 3.37Å; I493-K513 CarbonylContact C-O 3.58Å; I493-K513 VanDerWaalsContact CA-O 3.29Å; I493-K513 WeakPolarHBondContact CA-O 3.26Å; I493-I514 HydrophobicContact CD1-CG1 4.27Å; I493-I514 HydrophobicContact CG1-CG1 4.12Å; I493-I514 HydrophobicContact CG1-CG2 4.37Å; I493-V616 HydrophobicContact CB-CG1 3.4Å; I493-V616 HydrophobicContact CD1-CG1 3.82Å; I493-V616 HydrophobicContact CG1-CG1 3.41Å; I493-V616 VanDerWaalsContact CG1-CG1 3.41Å
494	Q	59.7	Low	59.7	Low	55 Å²	55	81.3 Å²	81.3	26%	0.257	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.4	175.2	-166.8	-176.4	22.1	0	0	111.1	K513 F515 H638	Q494-K513 HydrophobicContact CB-CB 4.42Å; Q494-K513 PolarHBondContact N-O 3.39Å; Q494-K513 PolarHBondContact O-N 2.98Å; Q494-K513 VanDerWaalsContact O-N 3.16Å; Q494-F515 HydrophobicContact CB-CD2 4.4Å; Q494-F515 HydrophobicContact CB-CE2 3.82Å; Q494-H638 WeakPolarHBondContact CG-NE2 3.45Å; Q494-H638 PolarHBondContact NE2-CE1 2.86Å
495	N	51.2	Low	56.6	Low	87 Å²	87	85.6 Å²	85.6	47%	0.465	43%	0.43	S	S	.	.			trans	-96.3	119.2	174.6	-68.6	6.2	0	0	0	110.4	I493 N497	I493-N495 WeakPolarHBondContact CG2-OD1 3.14Å; N495-N497 PolarHBondContact O-N 2.91Å
496	H	43.1	Very low	53.5	Low	81 Å²	81	90.5 Å²	90.5	38%	0.375	47%	0.465	S	S	.	.			trans	-87.1	85.8	175.2	-83.2	-79.9	0	0	0	111.8	N498 K513	H496-N498 PolarHBondContact O-N 3.11Å; H496-K513 PolarHBondContact NE2-NZ 3.36Å
497	N	35.6	Very low	50.5	Low	134 Å²	134	98 Å²	98	72%	0.717	50%	0.496	S	S	*	.			trans	-71.2	91.7	168.9	-72.8	9.9	0	0	0	110.3	N495 K499	N495-N497 PolarHBondContact O-N 2.91Å; N497-K499 PolarHBondContact O-N 3.1Å
498	N	31.4	Very low	47.3	Very low	139 Å²	139	104.4 Å²	104.4	74%	0.743	53%	0.53	S	S	*	.			trans	-63.8	100.1	175.6	-87.1	-17.2	0	0	0	111.2	H496 S500	H496-N498 PolarHBondContact O-N 3.11Å; N498-S500 PolarHBondContact O-N 3.12Å
499	K	31.3	Very low	44.4	Very low	210 Å²	210	112.5 Å²	112.5	91%	0.913	57%	0.566	S	S	*	*			trans	-75.8	66.1	170.7	-69.6	-171.2	175.6	-175	0	111.5	N497	N497-K499 PolarHBondContact O-N 3.1Å
500	S	34	Very low	42.1	Very low	92 Å²	92	113 Å²	113	64%	0.643	58%	0.578	S	S	*	*			trans	-117.6	112.4	170.1	48.1	0	0	0	0	110.8	N498 Q502	N498-S500 PolarHBondContact O-N 3.12Å; S500-Q502 PolarHBondContact O-N 3.44Å; S500-Q502 VanDerWaalsContact O-N 3.1Å
501	T	28	Very low	40.6	Very low	142 Å²	142	116.5 Å²	116.5	87%	0.871	60%	0.602	S	S	*	*			trans	-80	90.2	-175.8	51.5	0	0	0	0	112
502	Q	35	Very low	39.6	Very low	173 Å²	173	117.3 Å²	117.3	81%	0.808	61%	0.607	S	S	*	*			trans	-156.1	140.5	161.8	-117.4	167.8	60.7	0	0	112.4	S500 R504	S500-Q502 PolarHBondContact O-N 3.44Å; S500-Q502 VanDerWaalsContact O-N 3.1Å; Q502-R504 PolarHBondContact O-N 3.15Å
503	K	27.2	Very low	39.1	Very low	213 Å²	213	120 Å²	120	93%	0.926	62%	0.618	S	S	*	*			trans	-64.8	117.6	178.2	-64.9	179.1	176.5	-176.3	0	110.4
504	R	26.3	Very low	39.1	Very low	217 Å²	217	120.6 Å²	120.6	82%	0.819	62%	0.621	S	S	*	*			trans	-137.8	165.5	164.3	-74.8	-163.2	171.2	-164.9	-3.9	111.3	Q502	Q502-R504 PolarHBondContact O-N 3.15Å
505	S	29.7	Very low	39.9	Very low	96 Å²	96	119.3 Å²	119.3	67%	0.671	62%	0.615	S	S	*	*			trans	-72.4	153.7	-164.9	39.7	0	0	0	0	114.8	K507	S505-K507 VanDerWaalsContact C-N 3.25Å; S505-K507 PolarHBondContact O-N 3.15Å
506	S	30.3	Very low	41.5	Very low	115 Å²	115	115.9 Å²	115.9	80%	0.804	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	56.7	-173.4	51	0	0	0	0	115
507	K	32.8	Very low	43.7	Very low	186 Å²	186	112 Å²	112	81%	0.809	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	-15.8	170.8	-74.6	-164.7	171.8	-171.1	0	115.2	S505 F509	S505-K507 VanDerWaalsContact C-N 3.25Å; S505-K507 PolarHBondContact O-N 3.15Å; K507-F509 PolarHBondContact O-N 2.75Å; K507-F509 VanDerWaalsContact O-N 3.13Å
508	D	26.6	Very low	46.4	Very low	136 Å²	136	105.7 Å²	105.7	73%	0.727	54%	0.543	S	S	*	.			trans	-89.1	72.7	-176.3	-58.4	-21	0	0	0	111.7
509	F	31.1	Very low	49.4	Very low	169 Å²	169	99 Å²	99	74%	0.741	51%	0.508	S	S	*	.			trans	-76	149	174.2	-87.4	-89.5	0	0	0	112.6	A353 K507	A353-F509 HydrophobicContact CB-CE1 4.31Å; K507-F509 PolarHBondContact O-N 2.75Å; K507-F509 VanDerWaalsContact O-N 3.13Å
510	S	36.7	Very low	52.5	Low	75 Å²	75	89 Å²	89	52%	0.524	47%	0.465	S	S	.	.			trans	-78.8	137.6	-162.8	54.6	0	0	0	0	114.8	T512	S510-T512 PolarHBondContact O-N 3.1Å
511	S	48	Very low	55.3	Low	89 Å²	89	84.7 Å²	84.7	62%	0.622	43%	0.434	S	S	*	.			trans	-74.4	94.4	174.6	39.4	0	0	0	0	113
512	T	54.1	Low	58.5	Low	25 Å²	25	77.9 Å²	77.9	15%	0.153	39%	0.392	C	S	.	.			trans	-57.5	136.1	163.7	-57.1	0	0	0	0	110.4	M354 I493 S510	M354-T512 HydrophobicContact SD-CG2 4.12Å; I493-T512 HydrophobicContact CD1-CG2 4.46Å; I493-T512 HydrophobicContact CG2-CG2 3.37Å; S510-T512 PolarHBondContact O-N 3.1Å
513	K	62.1	Low	61.2	Low	69 Å²	69	69.7 Å²	69.7	30%	0.3	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.2	-178	-74.9	-175.8	-173.1	164.7	0	111.7	I493 Q494 H496 F515 H533	I493-K513 CarbonylContact C-O 3.58Å; I493-K513 VanDerWaalsContact CA-O 3.29Å; I493-K513 WeakPolarHBondContact CA-O 3.26Å; Q494-K513 HydrophobicContact CB-CB 4.42Å; Q494-K513 PolarHBondContact N-O 3.39Å; Q494-K513 PolarHBondContact O-N 2.98Å; Q494-K513 VanDerWaalsContact O-N 3.16Å; H496-K513 PolarHBondContact NE2-NZ 3.36Å; K513-F515 HydrophobicContact CB-CD2 4.45Å; K513-F515 HydrophobicContact CB-CE2 3.7Å; K513-F515 HydrophobicContact CB-CZ 4.32Å; K513-F515 HydrophobicContact CD-CZ 4.45Å; K513-H533 WeakPolarHBondContact CA-NE2 3.19Å; K513-H533 WeakPolarHBondContact CB-NE2 3.13Å; K513-H533 WeakPolarHBondContact CG-NE2 3.29Å
514	I	68.3	Low	64.2	Low	30 Å²	30	60.3 Å²	60.3	15%	0.154	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.6	-176.3	-46.2	-175	0	0	0	109.5	L362 P491 I493 H533	L362-I514 HydrophobicContact CD1-CD1 4.45Å; P491-I514 HydrophobicContact CB-CG2 3.81Å; P491-I514 HydrophobicContact CG-CG2 4.25Å; I493-I514 HydrophobicContact CD1-CG1 4.27Å; I493-I514 HydrophobicContact CG1-CG1 4.12Å; I493-I514 HydrophobicContact CG1-CG2 4.37Å; I514-H533 PolarHBondContact N-NE2 3.05Å; I514-H533 PolarHBondContact O-CD2 2.86Å
515	F	75.7	Confident	67.2	Low	27 Å²	27	50.1 Å²	50.1	12%	0.118	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	-179.9	-62.4	-97.8	0	0	0	110.7	P491 V492 Q494 K513 L532 H533	P491-F515 CarbonylContact C-O 3.56Å; P491-F515 WeakPolarHBondContact CA-O 3.3Å; P491-F515 WeakPolarHBondContact CB-O 3.37Å; V492-F515 PolarHBondContact N-O 3.48Å; V492-F515 PolarHBondContact O-N 2.87Å; Q494-F515 HydrophobicContact CB-CD2 4.4Å; Q494-F515 HydrophobicContact CB-CE2 3.82Å; K513-F515 HydrophobicContact CB-CD2 4.45Å; K513-F515 HydrophobicContact CB-CE2 3.7Å; K513-F515 HydrophobicContact CB-CZ 4.32Å; K513-F515 HydrophobicContact CD-CZ 4.45Å; F515-L532 WeakPolarHBondContact CA-O 3.43Å; F515-H533 HydrophobicContact CD1-CB 3.74Å; F515-H533 AromaticContact CD1-CD2 3.9Å; F515-H533 AromaticContact CD2-CD2 3.96Å; F515-H533 HydrophobicContact CE1-CB 3.64Å; F515-H533 AromaticContact CE1-CD2 3.72Å; F515-H533 AromaticContact CE1-CG 3.99Å; F515-H533 AromaticContact CE2-CD2 3.76Å; F515-H533 HydrophobicContact CZ-CB 4.38Å; F515-H533 AromaticContact CZ-CD2 3.65Å
516	W	83.7	Confident	70.2	Confident	15 Å²	15	46.6 Å²	46.6	6%	0.057	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	152.9	164.9	-74.7	94.9	0	0	0	110.8	W366 P423 D424 W487 P491 R531 L532 F534	W366-W516 AromaticContact CH2-CH2 3.77Å; W366-W516 HydrophobicContact CH2-CH2 3.77Å; W366-W516 HydrophobicContact CH2-CZ3 4.26Å; W366-W516 AromaticContact CZ2-CH2 3.41Å; W366-W516 HydrophobicContact CZ2-CH2 3.41Å; W366-W516 VanDerWaalsContact CZ2-CH2 3.41Å; W366-W516 AromaticContact CZ2-CZ2 3.96Å; W366-W516 HydrophobicContact CZ2-CZ2 3.96Å; W366-W516 HydrophobicContact CZ2-CZ3 4.31Å; P423-W516 HydrophobicContact CB-CH2 4.21Å; P423-W516 HydrophobicContact CB-CZ3 4.19Å; P423-W516 HydrophobicContact CG-CH2 4.3Å; P423-W516 HydrophobicContact CG-CZ3 3.8Å; D424-W516 HydrophobicContact CB-CH2 4.11Å; D424-W516 HydrophobicContact CB-CZ2 3.82Å; W487-W516 HydrophobicContact CE3-CB 4.24Å; W487-W516 HydrophobicContact CZ3-CB 3.9Å; W487-W516 HydrophobicContact CZ3-CG 4.48Å; P491-W516 HydrophobicContact CB-CD2 4.16Å; P491-W516 HydrophobicContact CB-CE3 4.34Å; W516-R531 CarbonylContact O-C 3.48Å; W516-R531 WeakPolarHBondContact O-CA 3.28Å; W516-L532 PolarHBondContact N-O 2.96Å; W516-L532 PolarHBondContact O-N 3.04Å; W516-F534 HydrophobicContact CB-CE2 4.3Å; W516-F534 AromaticContact CD1-CD2 3.64Å; W516-F534 AromaticContact CD1-CE2 3.79Å; W516-F534 HydrophobicContact CG-CE2 4.29Å
517	I	89.1	Confident	73.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.9	174.9	-55.8	-173.6	0	0	0	109.7	A488 V492 V529 W530 R531 F597 I636	A488-I517 HydrophobicContact CB-CB 3.83Å; A488-I517 HydrophobicContact CB-CG2 4.43Å; A488-I517 PolarHBondContact N-O 3.33Å; V492-I517 HydrophobicContact CG2-CD1 3.93Å; I517-V529 HydrophobicContact CG2-CG1 3.63Å; I517-W530 WeakPolarHBondContact CA-O 3.24Å; I517-R531 HydrophobicContact CD1-CG 4.38Å; I517-R531 HydrophobicContact CG1-CG 4.1Å; I517-F597 HydrophobicContact CG2-CE1 4.35Å; I517-F597 HydrophobicContact CG2-CZ 3.79Å; I517-I636 HydrophobicContact CD1-CG2 4.18Å
518	L	93.3	Very high	76	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.9	-179.6	173.5	70	0	0	0	108.7	A429 V457 I459 L475 V485 W487 V529 W530 L532	A429-L518 HydrophobicContact CB-CD1 3.99Å; A429-L518 HydrophobicContact CB-CD2 4.06Å; V457-L518 HydrophobicContact CG1-CD2 4.19Å; I459-L518 HydrophobicContact CD1-CD2 3.55Å; L475-L518 HydrophobicContact CD1-CD2 3.98Å; V485-L518 HydrophobicContact CB-CD1 4.39Å; W487-L518 HydrophobicContact CD2-CB 4.41Å; W487-L518 HydrophobicContact CD2-CD1 3.83Å; W487-L518 HydrophobicContact CE3-CB 4.07Å; W487-L518 HydrophobicContact CE3-CD1 4.34Å; W487-L518 HydrophobicContact CG-CD1 4Å; W487-L518 HydrophobicContact CZ2-CD1 4.45Å; W487-L518 HydrophobicContact CZ3-CB 4.3Å; L518-V529 CarbonylContact O-C 3.55Å; L518-V529 WeakPolarHBondContact O-CA 3.22Å; L518-W530 HydrophobicContact CB-CB 4.46Å; L518-W530 PolarHBondContact N-O 3.46Å; L518-W530 PolarHBondContact O-N 3.43Å; L518-L532 HydrophobicContact CB-CD1 4.4Å; L518-L532 HydrophobicContact CD2-CD1 4.23Å
519	A	94.5	Very high	79	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.3	172.9	0	0	0	0	0	110.7	V485 D486 V527 R528 V529 V595 F597 L622	V485-A519 VanDerWaalsContact CA-O 3.26Å; V485-A519 WeakPolarHBondContact CA-O 3.39Å; D486-A519 PolarHBondContact N-O 3.46Å; D486-A519 PolarHBondContact O-N 2.82Å; A519-V527 HydrophobicContact CB-CG1 4.29Å; A519-R528 CarbonylContact C-O 3.55Å; A519-R528 WeakPolarHBondContact CA-O 3.25Å; A519-V529 HydrophobicContact CB-CG2 4.45Å; A519-V595 HydrophobicContact CB-CG2 4.06Å; A519-F597 HydrophobicContact CB-CE2 3.64Å; A519-F597 HydrophobicContact CB-CZ 4.03Å; A519-L622 HydrophobicContact CB-CD1 3.8Å; A519-L622 HydrophobicContact CB-CD2 4.01Å
520	S	95.3	Very high	81.8	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.6	174.6	58.4	0	0	0	0	112	H478 S484 V527 R528 W530	H478-S520 PolarHBondContact CE1-O 3.14Å; H478-S520 PolarHBondContact NE2-OG 2.88Å; S484-S520 WeakPolarHBondContact O-CA 3.37Å; S520-V527 CarbonylContact O-C 3.48Å; S520-V527 VanDerWaalsContact O-CA 3.29Å; S520-V527 WeakPolarHBondContact O-CA 3.49Å; S520-R528 PolarHBondContact N-O 3.06Å; S520-R528 PolarHBondContact O-N 3.27Å; S520-W530 PolarHBondContact OG-NE1 3.4Å
521	G	94.3	Very high	84.1	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.4	-179.8	0	0	0	0	0	113.2	I482 Y483 S484 V592	I482-G521 CarbonylContact C-O 3.47Å; I482-G521 WeakPolarHBondContact CA-O 3.44Å; Y483-G521 PolarHBondContact N-O 3.4Å; S484-G521 PolarHBondContact O-N 2.92Å; G521-V592 CarbonylContact C-O 3.6Å
522	S	94.2	Very high	85.8	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.7	-164.8	172.1	0	0	0	0	115.8	H478 D480 I481 D524 G525 T526 V592	H478-S522 VanDerWaalsContact CE1-CB 3.45Å; H478-S522 WeakPolarHBondContact CE1-CB 3.47Å; H478-S522 WeakPolarHBondContact ND1-CB 3.4Å; H478-S522 PolarHBondContact ND1-OG 3.03Å; D480-S522 PolarHBondContact O-OG 3.47Å; D480-S522 VanDerWaalsContact O-OG 3.09Å; I481-S522 CarbonylContact O-C 3.53Å; I481-S522 WeakPolarHBondContact O-CA 3.35Å; I481-S522 WeakPolarHBondContact O-CB 3.24Å; I481-S522 PolarHBondContact O-OG 3.46Å; S522-D524 WeakPolarHBondContact CB-OD1 3.49Å; S522-D524 PolarHBondContact O-N 3.38Å; S522-D524 PolarHBondContact OG-N 2.91Å; S522-D524 VanDerWaalsContact OG-N 3.09Å; S522-D524 PolarHBondContact OG-OD1 3.18Å; S522-G525 PolarHBondContact O-N 2.85Å; S522-T526 PolarHBondContact N-O 2.84Å; S522-V592 PolarHBondContact N-O 2.83Å; S522-V592 PolarHBondContact O-N 3.4Å
523	A	92.7	Very high	86.8	Confident	1 Å²	1	13.8 Å²	13.8	1%	0.008	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.7	167.2	0	0	0	0	0	114.1	R77 D480 I481 Y483 G525 F591	R77-A523 PolarHBondContact NH1-O 2.93Å; D480-A523 HydrophobicContact CB-CB 3.87Å; I481-A523 HydrophobicContact CB-CB 4.31Å; I481-A523 PolarHBondContact O-N 2.94Å; Y483-A523 HydrophobicContact CE2-CB 3.74Å; A523-G525 PolarHBondContact O-N 3.28Å; A523-G525 VanDerWaalsContact O-N 3.12Å; A523-F591 HydrophobicContact CB-CD1 3.93Å; A523-F591 HydrophobicContact CB-CE1 4.15Å; A523-F591 HydrophobicContact CB-CG 4.29Å; A523-F591 WeakPolarHBondContact O-CD1 3.4Å; A523-F591 VanDerWaalsContact O-CE1 3.27Å; A523-F591 WeakPolarHBondContact O-CE1 3.35Å
524	D	90.1	Very high	87	Confident	15 Å²	15	12.5 Å²	12.5	8%	0.08	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.8	173	74.6	-0.5	0	0	0	112.6	R77 H478 S479 D480 S522 T526 R528	R77-D524 PolarHBondContact NH1-O 3.12Å; H478-D524 WeakPolarHBondContact CA-OD2 3.47Å; H478-D524 IonicContact CG-OD2 3.26Å; H478-D524 IonicContact ND1-OD1 2.65Å; H478-D524 IonicContact ND1-OD2 2.77Å; H478-D524 PolarHBondContact ND1-OD2 3.23Å; S479-D524 PolarHBondContact N-OD2 3.37Å; S479-D524 WeakPolarHBondContact OG-CB 3.11Å; D480-D524 HydrophobicContact CB-CB 3.96Å; S522-D524 WeakPolarHBondContact CB-OD1 3.49Å; S522-D524 PolarHBondContact O-N 3.38Å; S522-D524 PolarHBondContact OG-N 2.91Å; S522-D524 VanDerWaalsContact OG-N 3.09Å; S522-D524 PolarHBondContact OG-OD1 3.18Å; D524-T526 VanDerWaalsContact CG-OG1 3.28Å; D524-T526 WeakPolarHBondContact OD1-CB 3.41Å; D524-T526 PolarHBondContact OD1-N 2.87Å; D524-T526 PolarHBondContact OD1-OG1 3.08Å; D524-T526 PolarHBondContact OD2-OG1 3.19Å; D524-R528 IonicContact OD1-NH1 3.8Å; D524-R528 IonicContact OD2-CZ 2.91Å; D524-R528 IonicContact OD2-NH1 3.75Å; D524-R528 PolarHBondContact OD2-NH1 3.05Å; D524-R528 IonicContact OD2-NH2 3.14Å; D524-R528 PolarHBondContact OD2-NH2 3.37Å; D524-R528 VanDerWaalsContact OD2-NH2 3.08Å
525	G	89.5	Confident	86.2	Confident	3 Å²	3	17.3 Å²	17.3	3%	0.031	8%	0.084	C	C	.	.	S	Bend	trans	83.7	23.5	-179.3	0	0	0	0	0	112.3	S522 A523 H588	S522-G525 PolarHBondContact O-N 2.85Å; A523-G525 PolarHBondContact O-N 3.28Å; A523-G525 VanDerWaalsContact O-N 3.12Å; G525-H588 WeakPolarHBondContact O-CA 3.33Å; G525-H588 PolarHBondContact O-N 2.93Å
526	T	92.4	Very high	84.4	Confident	23 Å²	23	20.7 Å²	20.7	14%	0.141	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.5	176.9	74.1	0	0	0	0	112.4	S522 D524 R528 V585 L586	S522-T526 PolarHBondContact N-O 2.84Å; D524-T526 VanDerWaalsContact CG-OG1 3.28Å; D524-T526 WeakPolarHBondContact OD1-CB 3.41Å; D524-T526 PolarHBondContact OD1-N 2.87Å; D524-T526 PolarHBondContact OD1-OG1 3.08Å; D524-T526 PolarHBondContact OD2-OG1 3.19Å; T526-R528 PolarHBondContact OG1-NH1 3.1Å; T526-V585 HydrophobicContact CG2-CG1 3.88Å; T526-L586 CarbonylContact C-O 3.53Å; T526-L586 VanDerWaalsContact CA-O 3.26Å; T526-L586 WeakPolarHBondContact CA-O 3.48Å; T526-L586 WeakPolarHBondContact CB-O 3.49Å
527	V	92.7	Very high	81.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.5	159.5	178.2	0	0	0	0	108.5	A519 S520 V529 L586 V592 V595 L622 T624	A519-V527 HydrophobicContact CB-CG1 4.29Å; S520-V527 CarbonylContact O-C 3.48Å; S520-V527 VanDerWaalsContact O-CA 3.29Å; S520-V527 WeakPolarHBondContact O-CA 3.49Å; V527-V529 HydrophobicContact CG1-CG2 4.39Å; V527-L586 HydrophobicContact CB-CB 4.22Å; V527-L586 HydrophobicContact CB-CD1 4.33Å; V527-L586 HydrophobicContact CG1-CD1 4.34Å; V527-L586 PolarHBondContact N-O 2.89Å; V527-L586 WeakPolarHBondContact O-CB 3.28Å; V527-L586 PolarHBondContact O-N 3.02Å; V527-V592 HydrophobicContact CG2-CB 4.19Å; V527-V592 HydrophobicContact CG2-CG1 3.65Å; V527-V592 HydrophobicContact CG2-CG2 4.18Å; V527-V595 HydrophobicContact CG1-CG1 4.01Å; V527-V595 HydrophobicContact CG2-CG1 3.8Å; V527-L622 HydrophobicContact CG1-CD2 4.11Å; V527-T624 HydrophobicContact CG2-CG2 3.99Å
528	R	91	Very high	78.7	Confident	32 Å²	32	31.5 Å²	31.5	12%	0.121	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.5	173.6	-68.3	-171.7	179.5	70.2	6.3	109.6	G477 H478 A519 S520 D524 T526 W530 N584 V585	G477-R528 PolarHBondContact O-NH2 2.86Å; H478-R528 PolarHBondContact CD2-NH1 3.02Å; H478-R528 PolarHBondContact CE1-NH1 3.22Å; H478-R528 PolarHBondContact ND1-NH1 3.43Å; H478-R528 PolarHBondContact NE2-NH1 3.35Å; A519-R528 CarbonylContact C-O 3.55Å; A519-R528 WeakPolarHBondContact CA-O 3.25Å; S520-R528 PolarHBondContact N-O 3.06Å; S520-R528 PolarHBondContact O-N 3.27Å; D524-R528 IonicContact OD1-NH1 3.8Å; D524-R528 IonicContact OD2-CZ 2.91Å; D524-R528 IonicContact OD2-NH1 3.75Å; D524-R528 PolarHBondContact OD2-NH1 3.05Å; D524-R528 IonicContact OD2-NH2 3.14Å; D524-R528 PolarHBondContact OD2-NH2 3.37Å; D524-R528 VanDerWaalsContact OD2-NH2 3.08Å; T526-R528 PolarHBondContact OG1-NH1 3.1Å; R528-W530 HydrophobicContact CB-CD2 4.44Å; R528-W530 HydrophobicContact CB-CH2 4.45Å; R528-W530 HydrophobicContact CB-CZ2 3.62Å; R528-W530 VanDerWaalsContact CD-CZ2 3.5Å; R528-W530 HydrophobicContact CG-CZ2 4.17Å; R528-N584 WeakPolarHBondContact CA-O 3.31Å; R528-V585 HydrophobicContact CG-CG1 4.47Å; R528-V585 HydrophobicContact CG-CG2 4.29Å
529	V	91.3	Very high	75.5	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106	176.4	179.2	0	0	0	0	108.1	I517 L518 A519 V527 C583 N584 L586 L622 I636	I517-V529 HydrophobicContact CG2-CG1 3.63Å; L518-V529 CarbonylContact O-C 3.55Å; L518-V529 WeakPolarHBondContact O-CA 3.22Å; A519-V529 HydrophobicContact CB-CG2 4.45Å; V527-V529 HydrophobicContact CG1-CG2 4.39Å; V529-C583 WeakPolarHBondContact O-CA 3.42Å; V529-N584 HydrophobicContact CB-CB 4.38Å; V529-N584 PolarHBondContact N-O 2.93Å; V529-N584 PolarHBondContact O-N 2.75Å; V529-L586 HydrophobicContact CG2-CD1 3.86Å; V529-L586 HydrophobicContact CG2-CG 4.31Å; V529-L622 HydrophobicContact CG2-CD2 4.1Å; V529-I636 HydrophobicContact CG1-CD1 3.99Å; V529-I636 HydrophobicContact CG1-CG2 4.11Å; V529-I636 HydrophobicContact CG2-CD1 3.98Å
530	W	89.3	Confident	72.1	Confident	14 Å²	14	44.6 Å²	44.6	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.3	-177	-45.6	91.4	0	0	0	110.2	L475 I517 L518 S520 R528 L532 L582 C583	L475-W530 HydrophobicContact CB-CD2 4.06Å; L475-W530 HydrophobicContact CB-CE3 4.02Å; L475-W530 HydrophobicContact CB-CH2 3.93Å; L475-W530 HydrophobicContact CB-CZ2 3.98Å; L475-W530 HydrophobicContact CB-CZ3 3.95Å; L475-W530 HydrophobicContact CD1-CB 4.17Å; L475-W530 HydrophobicContact CD1-CD2 3.91Å; L475-W530 HydrophobicContact CD1-CE3 4.33Å; L475-W530 HydrophobicContact CD1-CG 3.83Å; L475-W530 HydrophobicContact CD2-CD2 4.27Å; L475-W530 HydrophobicContact CD2-CE3 3.83Å; L475-W530 HydrophobicContact CD2-CZ3 4.25Å; L475-W530 HydrophobicContact CG-CD2 4.31Å; L475-W530 HydrophobicContact CG-CE3 4.28Å; I517-W530 WeakPolarHBondContact CA-O 3.24Å; L518-W530 HydrophobicContact CB-CB 4.46Å; L518-W530 PolarHBondContact N-O 3.46Å; L518-W530 PolarHBondContact O-N 3.43Å; S520-W530 PolarHBondContact OG-NE1 3.4Å; R528-W530 HydrophobicContact CB-CD2 4.44Å; R528-W530 HydrophobicContact CB-CH2 4.45Å; R528-W530 HydrophobicContact CB-CZ2 3.62Å; R528-W530 VanDerWaalsContact CD-CZ2 3.5Å; R528-W530 HydrophobicContact CG-CZ2 4.17Å; W530-L532 HydrophobicContact CB-CD2 4.01Å; W530-L532 HydrophobicContact CB-CG 4.46Å; W530-L582 CarbonylContact C-O 3.58Å; W530-L582 WeakPolarHBondContact CA-O 3.25Å; W530-C583 HydrophobicContact CD2-CB 4.46Å; W530-C583 HydrophobicContact CE3-CB 3.66Å; W530-C583 VanDerWaalsContact CE3-SG 3.52Å; W530-C583 HydrophobicContact CZ3-CB 3.81Å; W530-C583 VanDerWaalsContact CZ3-SG 3.52Å
531	R	85	Confident	68.8	Low	17 Å²	17	54.8 Å²	54.8	6%	0.064	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.3	165.5	-52.2	-147.4	-158.4	99.7	4.9	109.7	W516 I517 I581 L582 K637 H638	W516-R531 CarbonylContact O-C 3.48Å; W516-R531 WeakPolarHBondContact O-CA 3.28Å; I517-R531 HydrophobicContact CD1-CG 4.38Å; I517-R531 HydrophobicContact CG1-CG 4.1Å; R531-I581 WeakPolarHBondContact O-CA 3.38Å; R531-L582 HydrophobicContact CB-CB 4.46Å; R531-L582 PolarHBondContact N-O 2.81Å; R531-L582 PolarHBondContact O-N 3.08Å; R531-K637 PolarHBondContact NH2-O 3.43Å; R531-H638 PolarHBondContact NH1-O 3.13Å; R531-H638 VanDerWaalsContact NH2-C 3.28Å; R531-H638 PolarHBondContact NH2-O 2.9Å
532	L	82.5	Confident	65.5	Low	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.6	-169.2	-52	-177.5	0	0	0	108.9	I459 L473 L475 W487 F515 W516 L518 W530 F534 I581	I459-L532 HydrophobicContact CD1-CD1 4.3Å; I459-L532 HydrophobicContact CG1-CD1 4.26Å; L473-L532 HydrophobicContact CD2-CD2 3.89Å; L475-L532 HydrophobicContact CD1-CD1 4.32Å; L475-L532 HydrophobicContact CD1-CD2 3.97Å; L475-L532 HydrophobicContact CD2-CD2 3.86Å; W487-L532 HydrophobicContact CH2-CD1 3.92Å; W487-L532 HydrophobicContact CZ3-CD1 3.91Å; F515-L532 WeakPolarHBondContact CA-O 3.43Å; W516-L532 PolarHBondContact N-O 2.96Å; W516-L532 PolarHBondContact O-N 3.04Å; L518-L532 HydrophobicContact CB-CD1 4.4Å; L518-L532 HydrophobicContact CD2-CD1 4.23Å; W530-L532 HydrophobicContact CB-CD2 4.01Å; W530-L532 HydrophobicContact CB-CG 4.46Å; L532-F534 HydrophobicContact CB-CE1 4.03Å; L532-F534 HydrophobicContact CB-CE2 4.15Å; L532-F534 HydrophobicContact CB-CZ 3.67Å; L532-F534 HydrophobicContact CD1-CZ 3.94Å; L532-F534 HydrophobicContact CG-CZ 4.46Å; L532-I581 HydrophobicContact CD2-CG2 4.31Å
533	H	74.8	Confident	62.2	Low	41 Å²	41	67 Å²	67	19%	0.19	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.2	171.9	-165.2	-95.2	0	0	0	110.3	K513 I514 F515 N535	K513-H533 WeakPolarHBondContact CA-NE2 3.19Å; K513-H533 WeakPolarHBondContact CB-NE2 3.13Å; K513-H533 WeakPolarHBondContact CG-NE2 3.29Å; I514-H533 PolarHBondContact N-NE2 3.05Å; I514-H533 PolarHBondContact O-CD2 2.86Å; F515-H533 HydrophobicContact CD1-CB 3.74Å; F515-H533 AromaticContact CD1-CD2 3.9Å; F515-H533 AromaticContact CD2-CD2 3.96Å; F515-H533 HydrophobicContact CE1-CB 3.64Å; F515-H533 AromaticContact CE1-CD2 3.72Å; F515-H533 AromaticContact CE1-CG 3.99Å; F515-H533 AromaticContact CE2-CD2 3.76Å; F515-H533 HydrophobicContact CZ-CB 4.38Å; F515-H533 AromaticContact CZ-CD2 3.65Å; H533-N535 PolarHBondContact CE1-OD1 3.47Å; H533-N535 PolarHBondContact ND1-OD1 2.91Å
534	F	66.6	Low	59.1	Low	42 Å²	42	74.3 Å²	74.3	18%	0.184	37%	0.374	C	S	.	.			trans	-108.4	105.1	170.1	-52	-52.6	0	0	0	107.7	W427 I459 W487 W516 L532 Q536	W427-F534 AromaticContact CD1-CE2 3.81Å; W427-F534 HydrophobicContact CD2-CD2 4.08Å; W427-F534 HydrophobicContact CD2-CE1 4.32Å; W427-F534 AromaticContact CD2-CE2 3.68Å; W427-F534 HydrophobicContact CD2-CE2 3.68Å; W427-F534 AromaticContact CD2-CZ 3.81Å; W427-F534 HydrophobicContact CD2-CZ 3.81Å; W427-F534 AromaticContact CE2-CD2 3.37Å; W427-F534 AromaticContact CE2-CE2 3.46Å; W427-F534 VanDerWaalsContact CE2-CE2 3.46Å; W427-F534 AromaticContact CE2-CG 3.82Å; W427-F534 AromaticContact CE2-CZ 3.97Å; W427-F534 HydrophobicContact CE3-CE1 4.15Å; W427-F534 HydrophobicContact CE3-CE2 4.32Å; W427-F534 HydrophobicContact CE3-CZ 4Å; W427-F534 AromaticContact CG-CE2 3.91Å; W427-F534 HydrophobicContact CG-CE2 3.91Å; W427-F534 HydrophobicContact CG-CZ 4.24Å; W427-F534 HydrophobicContact CH2-CB 4.21Å; W427-F534 AromaticContact CH2-CD1 3.7Å; W427-F534 HydrophobicContact CH2-CD1 3.7Å; W427-F534 HydrophobicContact CH2-CD2 4.2Å; W427-F534 HydrophobicContact CH2-CE1 4.06Å; W427-F534 AromaticContact CH2-CG 3.78Å; W427-F534 HydrophobicContact CH2-CG 3.78Å; W427-F534 HydrophobicContact CH2-CZ 4.46Å; W427-F534 HydrophobicContact CZ2-CB 3.75Å; W427-F534 AromaticContact CZ2-CD1 3.81Å; W427-F534 HydrophobicContact CZ2-CD1 3.81Å; W427-F534 AromaticContact CZ2-CD2 3.46Å; W427-F534 HydrophobicContact CZ2-CD2 3.46Å; W427-F534 VanDerWaalsContact CZ2-CD2 3.46Å; W427-F534 HydrophobicContact CZ2-CE1 4.25Å; W427-F534 AromaticContact CZ2-CE2 3.95Å; W427-F534 HydrophobicContact CZ2-CE2 3.95Å; W427-F534 AromaticContact CZ2-CG 3.39Å; W427-F534 HydrophobicContact CZ2-CG 3.39Å; W427-F534 HydrophobicContact CZ2-CZ 4.32Å; W427-F534 HydrophobicContact CZ3-CD1 4.12Å; W427-F534 HydrophobicContact CZ3-CE1 4.01Å; W427-F534 HydrophobicContact CZ3-CZ 4.32Å; W427-F534 AromaticContact NE1-CD2 3.48Å; W427-F534 AromaticContact NE1-CE2 3.54Å; I459-F534 HydrophobicContact CG2-CZ 4.38Å; W487-F534 HydrophobicContact CH2-CZ 4.48Å; W516-F534 HydrophobicContact CB-CE2 4.3Å; W516-F534 AromaticContact CD1-CD2 3.64Å; W516-F534 AromaticContact CD1-CE2 3.79Å; W516-F534 HydrophobicContact CG-CE2 4.29Å; L532-F534 HydrophobicContact CB-CE1 4.03Å; L532-F534 HydrophobicContact CB-CE2 4.15Å; L532-F534 HydrophobicContact CB-CZ 3.67Å; L532-F534 HydrophobicContact CD1-CZ 3.94Å; L532-F534 HydrophobicContact CG-CZ 4.46Å; F534-Q536 PolarHBondContact O-N 2.9Å
535	N	52.6	Low	56.1	Low	131 Å²	131	80.4 Å²	80.4	70%	0.701	41%	0.407	S	S	*	.			trans	-55.4	141.2	175.1	-76.1	35.5	0	0	0	110.1	H533 V537	H533-N535 PolarHBondContact CE1-OD1 3.47Å; H533-N535 PolarHBondContact ND1-OD1 2.91Å; N535-V537 PolarHBondContact O-N 2.94Å
536	Q	36.9	Very low	53.2	Low	99 Å²	99	87 Å²	87	46%	0.463	44%	0.442	S	S	.	.			trans	-55.4	109	173.8	-75.9	161	-53.3	0	0	110.6	E358 F534 Y538	E358-Q536 PolarHBondContact OE2-NE2 2.87Å; E358-Q536 VanDerWaalsContact OE2-NE2 3.08Å; F534-Q536 PolarHBondContact O-N 2.9Å; Q536-Y538 VanDerWaalsContact C-N 3.34Å
537	V	26.4	Very low	50.3	Low	133 Å²	133	95.6 Å²	95.6	81%	0.806	48%	0.477	S	S	*	.			trans	-98.5	80	142.7	-178.6	0	0	0	0	104.8	N535	N535-V537 PolarHBondContact O-N 2.94Å
538	Y	27.7	Very low	47.2	Very low	109 Å²	109	103.4 Å²	103.4	43%	0.427	52%	0.518	S	S	.	.			trans	-141.3	46	-173.5	-112.4	-67.4	0	0	0	108.5	K426 Q536	K426-Y538 PolarHBondContact NZ-OH 2.87Å; Q536-Y538 VanDerWaalsContact C-N 3.34Å
539	E	25.5	Very low	44.2	Very low	158 Å²	158	106.8 Å²	106.8	74%	0.738	55%	0.547	S	S	*	.	S	Bend	trans	-160.5	149.8	161.5	-117	-177.1	-135.1	0	0	111.5
540	N	23.4	Very low	41.5	Very low	117 Å²	117	113.9 Å²	113.9	63%	0.626	59%	0.585	S	S	*	*			trans	52.5	80.9	152.8	-47.7	-26	0	0	0	118.9
541	F	25.4	Very low	38.7	Very low	214 Å²	214	118.1 Å²	118.1	94%	0.939	61%	0.614	S	S	*	*			trans	-139.4	68.3	143.1	-91	-70	0	0	0	110.7
542	T	25.2	Very low	36	Very low	117 Å²	117	124 Å²	124	72%	0.718	65%	0.646	S	S	*	*	S	Bend	trans	-124.2	126.9	155.2	49	0	0	0	0	107.5
543	N	24.4	Very low	33.7	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	69%	0.689	S	S	*	*	S	Bend	trans	80.7	158	173.3	-48.3	-6.9	0	0	0	117.3
544	D	28.7	Very low	31.4	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	72%	0.718	S	S	*	*			trans	73.7	91.6	160.7	-52.4	-25	0	0	0	118.2
545	D	26.8	Very low	29.8	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	75%	0.751	S	S	*	*			trans	-57.9	168.8	160.4	-61.7	-75.5	0	0	0	113.3
546	N	28.5	Very low	28.7	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	75%	0.754	S	S	*	*			trans	102.3	152.9	162.8	-55.2	-78.6	0	0	0	118.1
547	F	32.4	Very low	28.3	Very low	204 Å²	204	143.5 Å²	143.5	90%	0.895	77%	0.772	S	S	*	*			trans	81.2	103.3	173.5	-62.8	-75.9	0	0	0	118.7
548	L	27.1	Very low	28.4	Very low	163 Å²	163	142.9 Å²	142.9	85%	0.853	77%	0.771	S	S	*	*			trans	-75.7	-177.2	162.7	-70.7	128.1	0	0	0	111.6
549	S	28.6	Very low	28.4	Very low	103 Å²	103	143 Å²	143	72%	0.72	79%	0.787	S	S	*	*			trans	68.9	138.6	170.7	20.5	0	0	0	0	114.9
550	D	32.9	Very low	28.5	Very low	149 Å²	149	143 Å²	143	80%	0.797	79%	0.793	S	S	*	*			cis	-142.1	166	11.8	-90	-44.5	0	0	0	113.1
551	P	31.2	Very low	29	Very low	103 Å²	103	142.4 Å²	142.4	67%	0.669	80%	0.804	S	S	*	*			trans	-85.2	-178.3	171.4	36.9	-36.2	0	0	0	113.8
552	D	28.3	Very low	29.1	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	79%	0.791	S	S	*	*			trans	64.7	106	167.7	-68.3	-22.5	0	0	0	119.9
553	T	33.7	Very low	29.2	Very low	145 Å²	145	140.8 Å²	140.8	89%	0.89	80%	0.799	S	S	*	*			trans	-158.8	113.3	141.4	0.7	0	0	0	0	111.7
554	N	28	Very low	29.4	Very low	152 Å²	152	139.2 Å²	139.2	81%	0.813	80%	0.799	S	S	*	*			trans	-87.1	134.5	172.9	-79.7	-72.3	0	0	0	111.2
555	I	32.9	Very low	29.3	Very low	170 Å²	170	141 Å²	141	87%	0.872	80%	0.803	S	S	*	*			trans	-164.1	153.4	165.6	-109.6	147.6	0	0	0	110.2
556	P	29	Very low	29.3	Very low	117 Å²	117	143 Å²	143	76%	0.76	80%	0.804	S	S	*	*				-106.7	174.6	-123	38.9	-38.7	0	0	0	117.6
557	V	27.4	Very low	29.3	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	80%	0.801	S	S	*	*			trans	-89.2	125.3	179	-178.9	0	0	0	0	112
558	P	29.5	Very low	29.1	Very low	120 Å²	120	138.6 Å²	138.6	78%	0.779	79%	0.789	S	S	*	*			trans	-83	134.6	169.7	-8	25.9	0	0	0	112.1
559	S	28.6	Very low	29.2	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	78%	0.775	S	S	*	*			trans	-102.6	99.4	174.2	57.2	0	0	0	0	111.9
560	D	27.2	Very low	29.2	Very low	160 Å²	160	136.7 Å²	136.7	86%	0.856	78%	0.779	S	S	*	*			trans	-176.8	120	147.3	-110.5	-28.5	0	0	0	113
561	A	33.1	Very low	29.2	Very low	104 Å²	104	133.4 Å²	133.4	86%	0.86	76%	0.761	S	S	*	*			trans	-166.1	59.2	169.3	0	0	0	0	0	112.6
562	S	26.9	Very low	29	Very low	96 Å²	96	134 Å²	134	67%	0.671	76%	0.757	S	S	*	*			trans	-80.7	153.2	171.6	66.5	0	0	0	0	112.2
563	K	28.2	Very low	29	Very low	200 Å²	200	132.7 Å²	132.7	87%	0.87	75%	0.75	S	S	*	*			trans	82.3	84.1	173.8	-49.9	166.7	-174.4	171.5	0	117.8
564	S	29.3	Very low	28.6	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	75%	0.752	S	S	*	*			trans	-154.8	151.4	130.8	56.4	0	0	0	0	109.9
565	Q	25.3	Very low	28.6	Very low	192 Å²	192	130.5 Å²	130.5	90%	0.897	75%	0.753	S	S	*	*			trans	-108.3	105.8	-177.1	-75.8	-179.4	-39.1	0	0	110.9
566	F	27.8	Very low	28.5	Very low	185 Å²	185	123.9 Å²	123.9	81%	0.811	72%	0.722	S	S	*	*			trans	-135.5	128.9	160.7	-73.2	-79.7	0	0	0	108.4	V568	F566-V568 PolarHBondContact O-N 3.36Å
567	Q	28.1	Very low	28.6	Very low	144 Å²	144	127.8 Å²	127.8	67%	0.673	73%	0.73	S	S	*	*			trans	-90.3	86.7	-171.4	-166.4	164.9	-14.8	0	0	110.3
568	V	28.4	Very low	29	Very low	109 Å²	109	130.8 Å²	130.8	66%	0.661	73%	0.732	S	S	*	*			trans	-69.1	131	-177.5	-179.6	0	0	0	0	110.6	F566 I571	F566-V568 PolarHBondContact O-N 3.36Å; V568-I571 HydrophobicContact CG1-CD1 4.5Å
569	G	28.6	Very low	29.5	Very low	54 Å²	54	132.3 Å²	132.3	56%	0.557	73%	0.726	S	S	*	*			trans	-63.4	136.4	169.9	0	0	0	0	0	110.6	I571	G569-I571 PolarHBondContact O-N 2.9Å
570	Q	29.4	Very low	30.6	Very low	172 Å²	172	129.5 Å²	129.5	80%	0.804	71%	0.714	S	S	*	*			trans	-61.3	108.1	-171	-76.1	-178	-43.5	0	0	112.2	I572	Q570-I572 PolarHBondContact O-N 2.72Å; Q570-I572 VanDerWaalsContact O-N 3.13Å
571	I	32.1	Very low	32.1	Very low	79 Å²	79	124.4 Å²	124.4	41%	0.405	69%	0.686	S	S	.	*			trans	-78.2	95.4	171.8	-56.4	168.3	0	0	0	107.7	V568 G569 N573 S576	V568-I571 HydrophobicContact CG1-CD1 4.5Å; G569-I571 PolarHBondContact O-N 2.9Å; I571-N573 VanDerWaalsContact C-N 3.3Å; I571-N573 PolarHBondContact O-N 3.07Å; I571-S576 WeakPolarHBondContact CB-OG 3.25Å; I571-S576 WeakPolarHBondContact CG2-OG 3.41Å
572	I	27.6	Very low	33.5	Very low	115 Å²	115	123 Å²	123	59%	0.59	66%	0.664	S	S	*	*			trans	-75.4	84.5	176.8	-55	178.4	0	0	0	108.7	Q570	Q570-I572 PolarHBondContact O-N 2.72Å; Q570-I572 VanDerWaalsContact O-N 3.13Å
573	N	27.4	Very low	35.7	Very low	114 Å²	114	120.7 Å²	120.7	61%	0.61	65%	0.647	S	S	*	*	S	Bend	trans	-180	92.9	146.4	-92.6	-11.1	0	0	0	111	I571 L575	I571-N573 VanDerWaalsContact C-N 3.3Å; I571-N573 PolarHBondContact O-N 3.07Å; N573-L575 VanDerWaalsContact C-N 3.3Å; N573-L575 PolarHBondContact O-N 2.88Å
574	G	25.8	Very low	38.1	Very low	90 Å²	90	112.7 Å²	112.7	93%	0.928	61%	0.614	S	S	*	*	S	Bend	trans	58.6	-43.6	151.2	0	0	0	0	0	122.4
575	L	28.1	Very low	40.7	Very low	160 Å²	160	111.3 Å²	111.3	84%	0.838	60%	0.601	S	S	*	*			trans	-134.7	3.7	-151.2	-76.6	157.2	0	0	0	114.6	N573 H577	N573-L575 VanDerWaalsContact C-N 3.3Å; N573-L575 PolarHBondContact O-N 2.88Å; L575-H577 PolarHBondContact O-N 3.41Å
576	S	31.6	Very low	43.7	Very low	32 Å²	32	102.5 Å²	102.5	22%	0.224	56%	0.56	C	S	.	*	G	3₁₀ helix	trans	-82.7	-10.1	-157.8	61.4	0	0	0	0	117.4	I571 K578 K579	I571-S576 WeakPolarHBondContact CB-OG 3.25Å; I571-S576 WeakPolarHBondContact CG2-OG 3.41Å; S576-K578 PolarHBondContact O-N 3.26Å; S576-K579 PolarHBondContact O-N 2.64Å
577	H	29.7	Very low	46.5	Very low	198 Å²	198	95.3 Å²	95.3	92%	0.917	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-61.5	1.1	178.9	-88.8	-72.5	0	0	0	115.3	L575	L575-H577 PolarHBondContact O-N 3.41Å
578	K	35.8	Very low	49.5	Very low	204 Å²	204	88.6 Å²	88.6	89%	0.887	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-111.8	1.7	174.7	-69.9	-174.8	175.8	-179.9	0	115.3	S576	S576-K578 PolarHBondContact O-N 3.26Å
579	K	41.3	Very low	52.3	Low	152 Å²	152	85 Å²	85	66%	0.661	49%	0.486	S	S	*	.	S	Bend	trans	-110.5	124.4	-179.2	-70.6	-173.5	178.2	178.6	0	112.2	S576 I581	S576-K579 PolarHBondContact O-N 2.64Å; K579-I581 PolarHBondContact O-N 2.91Å
580	G	50.2	Low	55.2	Low	51 Å²	51	83.5 Å²	83.5	53%	0.526	47%	0.465	S	S	.	.			trans	-77.5	74.3	-172.4	0	0	0	0	0	114.4
581	I	59.1	Low	58.3	Low	53 Å²	53	78.1 Å²	78.1	27%	0.272	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134	173.1	-61.2	157.1	0	0	0	108.7	L473 L475 R531 L532 K579	L473-I581 HydrophobicContact CD1-CD1 3.58Å; L473-I581 HydrophobicContact CD2-CD1 3.67Å; L473-I581 HydrophobicContact CD2-CG1 4.27Å; L473-I581 HydrophobicContact CG-CD1 4.24Å; L475-I581 HydrophobicContact CD2-CG2 4.29Å; R531-I581 WeakPolarHBondContact O-CA 3.38Å; L532-I581 HydrophobicContact CD2-CG2 4.31Å; K579-I581 PolarHBondContact O-N 2.91Å
582	L	62.1	Low	61.3	Low	74 Å²	74	74.3 Å²	74.3	39%	0.387	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133	173.7	-171.7	151.5	0	0	0	109.2	W530 R531	W530-L582 CarbonylContact C-O 3.58Å; W530-L582 WeakPolarHBondContact CA-O 3.25Å; R531-L582 HydrophobicContact CB-CB 4.46Å; R531-L582 PolarHBondContact N-O 2.81Å; R531-L582 PolarHBondContact O-N 3.08Å
583	C	74.7	Confident	64.5	Low	48 Å²	48	70.1 Å²	70.1	32%	0.324	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.2	178.5	-175.3	0	0	0	0	110	V529 W530	V529-C583 WeakPolarHBondContact O-CA 3.42Å; W530-C583 HydrophobicContact CD2-CB 4.46Å; W530-C583 HydrophobicContact CE3-CB 3.66Å; W530-C583 VanDerWaalsContact CE3-SG 3.52Å; W530-C583 HydrophobicContact CZ3-CB 3.81Å; W530-C583 VanDerWaalsContact CZ3-SG 3.52Å
584	N	78.3	Confident	67.8	Low	33 Å²	33	64.9 Å²	64.9	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.1	168.7	-65.3	-49.5	0	0	0	108.8	R528 V529 T641	R528-N584 WeakPolarHBondContact CA-O 3.31Å; V529-N584 HydrophobicContact CB-CB 4.38Å; V529-N584 PolarHBondContact N-O 2.93Å; V529-N584 PolarHBondContact O-N 2.75Å; N584-T641 HydrophobicContact CB-CG2 3.99Å
585	V	83.9	Confident	71.2	Confident	79 Å²	79	60.8 Å²	60.8	48%	0.479	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.9	177.5	-170.6	0	0	0	0	109.2	T526 R528	T526-V585 HydrophobicContact CG2-CG1 3.88Å; R528-V585 HydrophobicContact CG-CG1 4.47Å; R528-V585 HydrophobicContact CG-CG2 4.29Å
586	L	88.7	Confident	74.5	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.5	173.5	-47.3	178.5	0	0	0	108	T526 V527 V529 L622 W634 T641	T526-L586 CarbonylContact C-O 3.53Å; T526-L586 VanDerWaalsContact CA-O 3.26Å; T526-L586 WeakPolarHBondContact CA-O 3.48Å; T526-L586 WeakPolarHBondContact CB-O 3.49Å; V527-L586 HydrophobicContact CB-CB 4.22Å; V527-L586 HydrophobicContact CB-CD1 4.33Å; V527-L586 HydrophobicContact CG1-CD1 4.34Å; V527-L586 PolarHBondContact N-O 2.89Å; V527-L586 WeakPolarHBondContact O-CB 3.28Å; V527-L586 PolarHBondContact O-N 3.02Å; V529-L586 HydrophobicContact CG2-CD1 3.86Å; V529-L586 HydrophobicContact CG2-CG 4.31Å; L586-L622 HydrophobicContact CD1-CD2 4.19Å; L586-W634 HydrophobicContact CB-CH2 4.1Å; L586-W634 HydrophobicContact CB-CZ2 4.16Å; L586-W634 HydrophobicContact CB-CZ3 4.3Å; L586-W634 HydrophobicContact CD1-CB 4.43Å; L586-W634 HydrophobicContact CD1-CD2 3.81Å; L586-W634 HydrophobicContact CD1-CE3 4.11Å; L586-W634 HydrophobicContact CD1-CG 3.95Å; L586-W634 HydrophobicContact CD2-CD2 4.47Å; L586-W634 HydrophobicContact CD2-CE3 3.92Å; L586-W634 HydrophobicContact CD2-CZ3 4.01Å; L586-W634 HydrophobicContact CG-CE3 4.43Å; L586-T641 HydrophobicContact CD2-CG2 4.36Å
587	G	84.9	Confident	77.5	Confident	35 Å²	35	52.4 Å²	52.4	36%	0.361	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.1	-179.6	0	0	0	0	0	112.2
588	H	91.1	Very high	80.5	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.014	25%	0.248	C	C	.	.			trans	-116.6	153.3	173.4	-72.9	68.8	0	0	0	109.7	G525 N590 V592 T624 W634	G525-H588 WeakPolarHBondContact O-CA 3.33Å; G525-H588 PolarHBondContact O-N 2.93Å; H588-N590 VanDerWaalsContact C-N 3.28Å; H588-N590 PolarHBondContact O-N 3.15Å; H588-V592 HydrophobicContact CB-CG2 3.52Å; H588-V592 VanDerWaalsContact CG-CG2 3.48Å; H588-T624 WeakPolarHBondContact NE2-CB 3.44Å; H588-T624 PolarHBondContact NE2-OG1 2.97Å; H588-W634 AromaticContact CE1-CE2 3.94Å; H588-W634 AromaticContact CE1-CZ2 3.63Å; H588-W634 AromaticContact CE1-NE1 3.77Å; H588-W634 AromaticContact NE2-NE1 3.88Å
589	P	87.5	Confident	83	Confident	32 Å²	32	37.2 Å²	37.2	21%	0.208	22%	0.215	C	C	.	.	S	Bend	trans	-75.4	-15.8	-175.2	29.1	-34.6	0	0	0	114.6	M136 D628	M136-P589 HydrophobicContact CE-CB 3.86Å; M136-P589 WeakPolarHBondContact SD-CA 3.49Å; M136-P589 HydrophobicContact SD-CB 3.77Å; P589-D628 HydrophobicContact CG-CB 3.79Å; P589-D628 WeakPolarHBondContact CG-OD2 3.42Å
590	N	90.9	Very high	84.5	Confident	23 Å²	23	33 Å²	33	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-155.9	-174	-179.1	-150.5	-36.4	0	0	0	109.6	H588 C626 Y627	H588-N590 VanDerWaalsContact C-N 3.28Å; H588-N590 PolarHBondContact O-N 3.15Å; N590-C626 VanDerWaalsContact C-SG 3.54Å; N590-C626 PolarHBondContact O-SG 3.38Å; N590-Y627 HydrophobicContact CB-CD1 4.33Å; N590-Y627 VanDerWaalsContact ND2-CD1 3.28Å; N590-Y627 WeakPolarHBondContact ND2-CD1 3.34Å
591	F	93.6	Very high	85.1	Confident	59 Å²	59	32.7 Å²	32.7	26%	0.259	19%	0.189	S	C	.	.			trans	-51	140.5	-176.5	-53.2	-22.6	0	0	0	112.9	Y483 A523 Y593 C626 Y627	Y483-F591 HydrophobicContact CE2-CB 4.31Å; A523-F591 HydrophobicContact CB-CD1 3.93Å; A523-F591 HydrophobicContact CB-CE1 4.15Å; A523-F591 HydrophobicContact CB-CG 4.29Å; A523-F591 WeakPolarHBondContact O-CD1 3.4Å; A523-F591 VanDerWaalsContact O-CE1 3.27Å; A523-F591 WeakPolarHBondContact O-CE1 3.35Å; F591-Y593 HydrophobicContact CB-CE2 4.34Å; F591-C626 CarbonylContact O-C 3.52Å; F591-C626 VanDerWaalsContact O-CA 3.25Å; F591-C626 WeakPolarHBondContact O-CA 3.26Å; F591-C626 PolarHBondContact O-SG 2.95Å; F591-Y627 PolarHBondContact O-N 3.16Å
592	V	95.3	Very high	84.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	103.5	178.9	-171	0	0	0	0	110.1	G521 S522 V527 H588 V595 A625	G521-V592 CarbonylContact C-O 3.6Å; S522-V592 PolarHBondContact N-O 2.83Å; S522-V592 PolarHBondContact O-N 3.4Å; V527-V592 HydrophobicContact CG2-CB 4.19Å; V527-V592 HydrophobicContact CG2-CG1 3.65Å; V527-V592 HydrophobicContact CG2-CG2 4.18Å; H588-V592 HydrophobicContact CB-CG2 3.52Å; H588-V592 VanDerWaalsContact CG-CG2 3.48Å; V592-V595 HydrophobicContact CG1-CG1 4.13Å; V592-A625 WeakPolarHBondContact CA-O 3.47Å; V592-A625 VanDerWaalsContact CG1-O 3.28Å; V592-A625 WeakPolarHBondContact CG1-O 3.46Å
593	Y	95.6	Very high	83.8	Confident	27 Å²	27	41.7 Å²	41.7	11%	0.106	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-26.5	-172.4	-64.3	-70.7	0	0	0	114.4	Y483 S484 F591 A625 Y627 H654 N656 R758	Y483-Y593 HydrophobicContact CD1-CD1 4.27Å; Y483-Y593 AromaticContact CD2-CD1 3.59Å; Y483-Y593 HydrophobicContact CD2-CD1 3.59Å; Y483-Y593 HydrophobicContact CD2-CE1 4.06Å; Y483-Y593 HydrophobicContact CD2-CG 4.41Å; Y483-Y593 HydrophobicContact CE1-CD1 4.34Å; Y483-Y593 HydrophobicContact CE1-CE1 4.29Å; Y483-Y593 AromaticContact CE2-CD1 3.66Å; Y483-Y593 HydrophobicContact CE2-CD1 3.66Å; Y483-Y593 AromaticContact CE2-CE1 3.61Å; Y483-Y593 HydrophobicContact CE2-CE1 3.61Å; Y483-Y593 AromaticContact CG-CD1 3.9Å; Y483-Y593 HydrophobicContact CG-CD1 3.9Å; Y483-Y593 AromaticContact CZ-CE1 3.74Å; S484-Y593 WeakPolarHBondContact CB-O 3.15Å; F591-Y593 HydrophobicContact CB-CE2 4.34Å; Y593-A625 PolarHBondContact N-O 2.73Å; Y593-A625 VanDerWaalsContact N-O 3.12Å; Y593-Y627 AromaticContact CE2-CD2 3.95Å; Y593-Y627 HydrophobicContact CE2-CD2 3.95Å; Y593-Y627 HydrophobicContact CE2-CG 4.43Å; Y593-Y627 WeakPolarHBondContact OH-CD2 3.38Å; Y593-H654 HydrophobicContact CE2-CB 4.41Å; Y593-H654 AromaticContact CE2-CD2 3.87Å; Y593-N656 VanDerWaalsContact CB-O 3.23Å; Y593-N656 WeakPolarHBondContact CB-O 3.47Å; Y593-R758 PolarHBondContact O-NH2 2.94Å
594	S	96.4	Very high	82.5	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.6	-177.1	-147.7	0	0	0	0	111.9	A625 L658	S594-A625 PolarHBondContact O-N 2.83Å; S594-L658 WeakPolarHBondContact O-CD2 3.25Å; S594-L658 PolarHBondContact OG-N 3.1Å
595	V	97	Very high	80.4	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.7	169.6	-55.4	0	0	0	0	108.5	S484 D486 A519 V527 V592 L622 A623 T624	S484-V595 PolarHBondContact OG-N 3.4Å; S484-V595 VanDerWaalsContact OG-N 3.1Å; D486-V595 HydrophobicContact CB-CG2 4.36Å; A519-V595 HydrophobicContact CB-CG2 4.06Å; V527-V595 HydrophobicContact CG1-CG1 4.01Å; V527-V595 HydrophobicContact CG2-CG1 3.8Å; V592-V595 HydrophobicContact CG1-CG1 4.13Å; V595-L622 HydrophobicContact CB-CD1 4.37Å; V595-A623 WeakPolarHBondContact CA-O 3.45Å; V595-T624 HydrophobicContact CG1-CG2 4.05Å
596	A	96.9	Very high	78.5	Confident	13 Å²	13	43.8 Å²	43.8	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.8	171.4	0	0	0	0	0	111.4	D486 A623 L658 F660	D486-A596 WeakPolarHBondContact OD2-CA 3.42Å; A596-A623 PolarHBondContact N-O 3.12Å; A596-A623 PolarHBondContact O-N 3.26Å; A596-L658 HydrophobicContact CB-CD1 3.62Å; A596-L658 HydrophobicContact CB-CG 4.48Å; A596-F660 HydrophobicContact CB-CD2 4.2Å; A596-F660 HydrophobicContact CB-CE2 4.31Å
597	F	95	Very high	76.2	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	139.6	169.6	-76.1	-86	0	0	0	110.9	D486 W487 A488 I517 A519 H620 L621 L622 I636	D486-F597 HydrophobicContact CB-CD2 4.41Å; D486-F597 WeakPolarHBondContact O-CE2 3.34Å; D486-F597 PolarHBondContact OD2-N 2.93Å; W487-F597 VanDerWaalsContact C-CD2 3.45Å; A488-F597 HydrophobicContact CB-CD1 3.92Å; A488-F597 HydrophobicContact CB-CD2 4.23Å; A488-F597 HydrophobicContact CB-CE1 3.89Å; A488-F597 HydrophobicContact CB-CE2 4.21Å; A488-F597 HydrophobicContact CB-CG 4.09Å; A488-F597 HydrophobicContact CB-CZ 4.05Å; I517-F597 HydrophobicContact CG2-CE1 4.35Å; I517-F597 HydrophobicContact CG2-CZ 3.79Å; A519-F597 HydrophobicContact CB-CE2 3.64Å; A519-F597 HydrophobicContact CB-CZ 4.03Å; F597-H620 HydrophobicContact CD1-CB 4.06Å; F597-H620 HydrophobicContact CE1-CB 4.06Å; F597-L621 WeakPolarHBondContact CA-O 3.18Å; F597-L622 HydrophobicContact CD1-CB 4.25Å; F597-L622 HydrophobicContact CD1-CD1 4.08Å; F597-L622 HydrophobicContact CD2-CD1 3.8Å; F597-L622 HydrophobicContact CE1-CB 4.15Å; F597-L622 HydrophobicContact CE1-CD1 4.06Å; F597-L622 HydrophobicContact CE2-CD1 3.76Å; F597-L622 HydrophobicContact CG-CD1 3.97Å; F597-L622 HydrophobicContact CZ-CD1 3.89Å; F597-I636 HydrophobicContact CE1-CD1 3.69Å; F597-I636 HydrophobicContact CZ-CD1 4.06Å
598	K	92.9	Very high	74.2	Confident	51 Å²	51	54.1 Å²	54.1	22%	0.222	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-57.7	129.1	169.7	175.3	165.2	166	151.2	0	109.4	L621 F660 G664 E681	K598-L621 HydrophobicContact CB-CB 3.9Å; K598-L621 HydrophobicContact CB-CD2 4.21Å; K598-L621 HydrophobicContact CB-CG 4.44Å; K598-L621 HydrophobicContact CD-CB 4.44Å; K598-L621 HydrophobicContact CD-CD2 3.82Å; K598-L621 PolarHBondContact N-O 3.36Å; K598-F660 HydrophobicContact CB-CD1 4.22Å; K598-F660 HydrophobicContact CB-CE1 3.71Å; K598-F660 HydrophobicContact CB-CE2 4.24Å; K598-F660 HydrophobicContact CB-CZ 3.72Å; K598-F660 HydrophobicContact CD-CE1 4.3Å; K598-F660 HydrophobicContact CG-CD1 4.25Å; K598-F660 HydrophobicContact CG-CE1 4.01Å; K598-G664 WeakPolarHBondContact CD-O 3.14Å; K598-G664 WeakPolarHBondContact CE-O 3.17Å; K598-G664 PolarHBondContact NZ-O 3.37Å; K598-E681 IonicContact NZ-OE1 3.82Å; K598-E681 IonicContact NZ-OE2 2.72Å; K598-E681 PolarHBondContact NZ-OE2 3.32Å
599	P	86.9	Confident	71.9	Confident	31 Å²	31	57.2 Å²	57.2	20%	0.201	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-70.4	164.5	174.4	29.2	-33.9	0	0	0	111.4	F660 D661	P599-F660 HydrophobicContact CG-CB 4.11Å; P599-D661 VanDerWaalsContact CG-O 3.24Å; P599-D661 WeakPolarHBondContact CG-O 3.26Å
600	L	73.9	Confident	69.8	Low	65 Å²	65	61.5 Å²	61.5	34%	0.34	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-78.9	137.2	176.3	-165.8	70.1	0	0	0	110.8	L604 L615	L600-L604 HydrophobicContact CD1-CD1 4.03Å; L600-L604 HydrophobicContact CD2-CB 4.48Å; L600-L604 HydrophobicContact CG-CD1 4.15Å; L600-L615 HydrophobicContact CD1-CD2 3.39Å; L600-L615 HydrophobicContact CD2-CD1 3.98Å; L600-L615 HydrophobicContact CD2-CD2 3.57Å; L600-L615 HydrophobicContact CD2-CG 4.44Å; L600-L615 HydrophobicContact CG-CD2 4.06Å
601	S	63.6	Low	67.8	Low	43 Å²	43	62.2 Å²	62.2	30%	0.301	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-69.4	138.3	177.9	56	0	0	0	0	111.7	E603 L604	S601-E603 PolarHBondContact O-N 2.86Å; S601-E603 VanDerWaalsContact O-N 3.1Å; S601-L604 PolarHBondContact O-N 3.28Å
602	K	52.7	Low	65.7	Low	135 Å²	135	60.8 Å²	60.8	59%	0.587	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.8	-174	-69.2	169.4	176.7	168.9	0	114.4	L604 T662	K602-L604 VanDerWaalsContact C-N 3.26Å; K602-L604 PolarHBondContact O-N 3.11Å; K602-T662 VanDerWaalsContact NZ-CB 3.35Å; K602-T662 PolarHBondContact NZ-OG1 2.81Å
603	E	41	Very low	63.5	Low	181 Å²	181	63.5 Å²	63.5	85%	0.846	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.6	177.9	-63.7	-174.5	132.6	0	0	113.5	S601 A605	S601-E603 PolarHBondContact O-N 2.86Å; S601-E603 VanDerWaalsContact O-N 3.1Å; E603-A605 PolarHBondContact O-N 2.92Å
604	L	45.7	Very low	61.3	Low	51 Å²	51	65.7 Å²	65.7	27%	0.267	35%	0.348	S	S	.	.	S	Bend	trans	-81.1	62.6	172	-67.1	130.2	0	0	0	110	L600 S601 K602 L606 V611 L615	L600-L604 HydrophobicContact CD1-CD1 4.03Å; L600-L604 HydrophobicContact CD2-CB 4.48Å; L600-L604 HydrophobicContact CG-CD1 4.15Å; S601-L604 PolarHBondContact O-N 3.28Å; K602-L604 VanDerWaalsContact C-N 3.26Å; K602-L604 PolarHBondContact O-N 3.11Å; L604-L606 VanDerWaalsContact C-N 3.25Å; L604-L606 PolarHBondContact O-N 2.91Å; L604-V611 HydrophobicContact CB-CG1 4.21Å; L604-V611 HydrophobicContact CD2-CG1 3.58Å; L604-L615 HydrophobicContact CB-CD1 4.48Å; L604-L615 HydrophobicContact CD1-CD2 4.16Å; L604-L615 HydrophobicContact CD2-CD2 4.09Å; L604-L615 HydrophobicContact CD2-CG 4.37Å
605	A	35.9	Very low	59.3	Low	73 Å²	73	65.9 Å²	65.9	60%	0.603	35%	0.349	S	S	*	.			trans	-74.9	66.1	-169.7	0	0	0	0	0	114	E603 N607	E603-A605 PolarHBondContact O-N 2.92Å; A605-N607 PolarHBondContact O-N 3.19Å
606	L	42.9	Very low	57.3	Low	81 Å²	81	66.6 Å²	66.6	42%	0.424	35%	0.353	S	S	.	.	S	Bend	trans	49	6.8	141.2	-97.1	162	0	0	0	121.5	Q363 T367 L604	Q363-L606 HydrophobicContact CG-CD2 3.82Å; Q363-L606 PolarHBondContact NE2-O 3.47Å; T367-L606 HydrophobicContact CG2-CD1 4.47Å; L604-L606 VanDerWaalsContact C-N 3.25Å; L604-L606 PolarHBondContact O-N 2.91Å
607	N	40.6	Very low	55.3	Low	147 Å²	147	71 Å²	71	79%	0.786	38%	0.375	S	S	*	.			trans	-109.4	-19.9	-178.8	-70.2	-14.5	0	0	0	113.6	A605	A605-N607 PolarHBondContact O-N 3.19Å
608	D	42	Very low	54	Low	110 Å²	110	74.6 Å²	74.6	59%	0.588	39%	0.391	S	S	*	.			trans	-93.2	114.8	177.6	-83.4	-43.8	0	0	0	112.2	Q610 V611 L612	D608-Q610 PolarHBondContact O-N 2.89Å; D608-V611 HydrophobicContact CB-CB 3.96Å; D608-V611 HydrophobicContact CB-CG2 3.61Å; D608-V611 WeakPolarHBondContact O-CB 3.34Å; D608-V611 PolarHBondContact O-N 3.3Å; D608-L612 PolarHBondContact O-N 3.49Å
609	F	43.1	Very low	53.2	Low	68 Å²	68	76.5 Å²	76.5	30%	0.298	40%	0.404	S	S	.	.	H	α-helix	trans	-54.5	-35.3	171.7	179.3	-93.7	0	0	0	112.3	L359 V611 L612 Q613	L359-F609 HydrophobicContact CB-CD2 4.14Å; L359-F609 HydrophobicContact CB-CE2 3.6Å; L359-F609 HydrophobicContact CB-CZ 4.45Å; L359-F609 HydrophobicContact CD2-CD2 3.67Å; L359-F609 HydrophobicContact CD2-CE2 3.57Å; L359-F609 HydrophobicContact CD2-CG 4.27Å; L359-F609 HydrophobicContact CD2-CZ 4.08Å; L359-F609 HydrophobicContact CG-CE2 4.23Å; F609-V611 VanDerWaalsContact C-N 3.31Å; F609-V611 PolarHBondContact O-N 3.18Å; F609-L612 PolarHBondContact O-N 3.19Å; F609-Q613 VanDerWaalsContact CE1-NE2 3.3Å; F609-Q613 PolarHBondContact O-N 3.1Å
610	Q	43	Very low	53.3	Low	123 Å²	123	76 Å²	76	58%	0.575	40%	0.399	S	S	*	.	H	α-helix	trans	-64.2	-35	176.8	-160.1	64.5	42.7	0	0	112.3	D608 Q613 T614	D608-Q610 PolarHBondContact O-N 2.89Å; Q610-Q613 PolarHBondContact O-N 3.14Å; Q610-T614 PolarHBondContact O-N 2.91Å
611	V	49.9	Very low	54.2	Low	37 Å²	37	74 Å²	74	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-67.7	-43.5	-179.5	168.3	0	0	0	0	110.6	L604 D608 F609 Q613 T614 L615	L604-V611 HydrophobicContact CB-CG1 4.21Å; L604-V611 HydrophobicContact CD2-CG1 3.58Å; D608-V611 HydrophobicContact CB-CB 3.96Å; D608-V611 HydrophobicContact CB-CG2 3.61Å; D608-V611 WeakPolarHBondContact O-CB 3.34Å; D608-V611 PolarHBondContact O-N 3.3Å; F609-V611 VanDerWaalsContact C-N 3.31Å; F609-V611 PolarHBondContact O-N 3.18Å; V611-Q613 VanDerWaalsContact C-N 3.33Å; V611-Q613 PolarHBondContact O-N 2.73Å; V611-T614 PolarHBondContact O-N 3.36Å; V611-T614 PolarHBondContact O-OG1 3.43Å; V611-L615 HydrophobicContact CG1-CD1 3.74Å; V611-L615 HydrophobicContact CG1-CG 4.19Å; V611-L615 WeakPolarHBondContact O-CG 3.5Å; V611-L615 PolarHBondContact O-N 3.3Å
612	L	49.5	Very low	55.7	Low	30 Å²	30	72 Å²	72	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-58.1	-41.2	174.3	-75.4	-174.6	0	0	0	112.8	L359 Q363 D608 F609 T614 L615 V616	L359-L612 HydrophobicContact CD2-CB 3.71Å; L359-L612 HydrophobicContact CD2-CD1 4.08Å; L359-L612 HydrophobicContact CG-CB 4.36Å; L359-L612 HydrophobicContact CG-CD1 4.05Å; Q363-L612 HydrophobicContact CB-CD1 3.98Å; Q363-L612 VanDerWaalsContact CD-CD1 3.43Å; Q363-L612 HydrophobicContact CG-CD1 3.85Å; Q363-L612 VanDerWaalsContact OE1-CD1 3.29Å; D608-L612 PolarHBondContact O-N 3.49Å; F609-L612 PolarHBondContact O-N 3.19Å; L612-T614 VanDerWaalsContact C-N 3.29Å; L612-T614 PolarHBondContact O-N 2.86Å; L612-L615 HydrophobicContact CD2-CD1 4.02Å; L612-L615 PolarHBondContact O-N 3.2Å; L612-V616 WeakPolarHBondContact O-CB 3.29Å; L612-V616 VanDerWaalsContact O-CG2 3.28Å; L612-V616 WeakPolarHBondContact O-CG2 3.37Å; L612-V616 PolarHBondContact O-N 3.15Å; L612-V616 VanDerWaalsContact O-N 3.14Å
613	Q	49.1	Very low	57.8	Low	56 Å²	56	65.5 Å²	65.5	26%	0.262	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-33.9	175.9	-69.1	-166.1	-2.7	0	0	113	L359 F609 Q610 V611	L359-Q613 HydrophobicContact CD2-CG 4.21Å; F609-Q613 VanDerWaalsContact CE1-NE2 3.3Å; F609-Q613 PolarHBondContact O-N 3.1Å; Q610-Q613 PolarHBondContact O-N 3.14Å; V611-Q613 VanDerWaalsContact C-N 3.33Å; V611-Q613 PolarHBondContact O-N 2.73Å
614	T	49.4	Very low	60.4	Low	74 Å²	74	56.9 Å²	56.9	45%	0.454	31%	0.306	S	S	.	.	H	α-helix	trans	-73.3	-38.1	174.1	64.6	0	0	0	0	112.8	Q610 V611 L612 V616 N617 Q618	Q610-T614 PolarHBondContact O-N 2.91Å; V611-T614 PolarHBondContact O-N 3.36Å; V611-T614 PolarHBondContact O-OG1 3.43Å; L612-T614 VanDerWaalsContact C-N 3.29Å; L612-T614 PolarHBondContact O-N 2.86Å; T614-V616 PolarHBondContact O-N 3.02Å; T614-N617 PolarHBondContact O-N 3.26Å; T614-Q618 WeakPolarHBondContact O-CG 3.48Å
615	L	53.6	Low	62.8	Low	7 Å²	7	54.5 Å²	54.5	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-41.2	179.8	-78.8	167.7	0	0	0	113.2	L600 L604 V611 L612 N617 Q618	L600-L615 HydrophobicContact CD1-CD2 3.39Å; L600-L615 HydrophobicContact CD2-CD1 3.98Å; L600-L615 HydrophobicContact CD2-CD2 3.57Å; L600-L615 HydrophobicContact CD2-CG 4.44Å; L600-L615 HydrophobicContact CG-CD2 4.06Å; L604-L615 HydrophobicContact CB-CD1 4.48Å; L604-L615 HydrophobicContact CD1-CD2 4.16Å; L604-L615 HydrophobicContact CD2-CD2 4.09Å; L604-L615 HydrophobicContact CD2-CG 4.37Å; V611-L615 HydrophobicContact CG1-CD1 3.74Å; V611-L615 HydrophobicContact CG1-CG 4.19Å; V611-L615 WeakPolarHBondContact O-CG 3.5Å; V611-L615 PolarHBondContact O-N 3.3Å; L612-L615 HydrophobicContact CD2-CD1 4.02Å; L612-L615 PolarHBondContact O-N 3.2Å; L615-N617 PolarHBondContact O-N 2.83Å; L615-N617 VanDerWaalsContact O-N 3.11Å; L615-Q618 PolarHBondContact O-N 3.25Å
616	V	56.3	Low	65.6	Low	19 Å²	19	51 Å²	51	12%	0.115	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.5	-176.2	163.4	0	0	0	0	113.9	V492 I493 L612 T614	V492-V616 WeakPolarHBondContact CA-O 3.39Å; I493-V616 HydrophobicContact CB-CG1 3.4Å; I493-V616 HydrophobicContact CD1-CG1 3.82Å; I493-V616 HydrophobicContact CG1-CG1 3.41Å; I493-V616 VanDerWaalsContact CG1-CG1 3.41Å; L612-V616 WeakPolarHBondContact O-CB 3.29Å; L612-V616 VanDerWaalsContact O-CG2 3.28Å; L612-V616 WeakPolarHBondContact O-CG2 3.37Å; L612-V616 PolarHBondContact O-N 3.15Å; L612-V616 VanDerWaalsContact O-N 3.14Å; T614-V616 PolarHBondContact O-N 3.02Å
617	N	55.3	Low	68.1	Low	105 Å²	105	50.8 Å²	50.8	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	19	175.7	-73.4	-78.5	0	0	0	113.5	T614 L615	T614-N617 PolarHBondContact O-N 3.26Å; L615-N617 PolarHBondContact O-N 2.83Å; L615-N617 VanDerWaalsContact O-N 3.11Å
618	Q	65.9	Low	70.6	Confident	79 Å²	79	45.8 Å²	45.8	37%	0.369	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-77.8	154.1	177.9	-67.7	-173.3	1.4	0	0	113.3	T614 L615 H620	T614-Q618 WeakPolarHBondContact O-CG 3.48Å; L615-Q618 PolarHBondContact O-N 3.25Å; Q618-H620 PolarHBondContact O-N 2.97Å
619	D	77.9	Confident	73.2	Confident	92 Å²	92	46.9 Å²	46.9	49%	0.492	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.2	119.3	170.2	-65	-17.3	0	0	0	109.4	K637	D619-K637 WeakPolarHBondContact OD1-CE 3.29Å; D619-K637 WeakPolarHBondContact OD1-CG 3.17Å; D619-K637 WeakPolarHBondContact OD2-CE 3.46Å; D619-K637 IonicContact OD2-NZ 3.46Å; D619-K637 PolarHBondContact OD2-NZ 2.88Å
620	H	87.8	Confident	75.7	Confident	20 Å²	20	44.2 Å²	44.2	9%	0.093	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.2	174.4	-53.4	-85.1	0	0	0	110.7	T490 V492 F597 Q618 S635 I636	T490-H620 PolarHBondContact O-CE1 3.28Å; T490-H620 VanDerWaalsContact O-CE1 3.23Å; T490-H620 PolarHBondContact OG1-CE1 2.98Å; T490-H620 VanDerWaalsContact OG1-CE1 3.3Å; V492-H620 WeakPolarHBondContact CG2-NE2 3.49Å; F597-H620 HydrophobicContact CD1-CB 4.06Å; F597-H620 HydrophobicContact CE1-CB 4.06Å; Q618-H620 PolarHBondContact O-N 2.97Å; H620-S635 WeakPolarHBondContact O-CA 3.43Å; H620-I636 HydrophobicContact CB-CB 4.37Å; H620-I636 PolarHBondContact N-O 3.4Å; H620-I636 PolarHBondContact O-N 2.9Å
621	L	92	Very high	78.2	Confident	23 Å²	23	38.4 Å²	38.4	12%	0.12	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.9	170.7	-173.7	71.5	0	0	0	109.8	F597 K598 L633 W634 L644 W696	F597-L621 WeakPolarHBondContact CA-O 3.18Å; K598-L621 HydrophobicContact CB-CB 3.9Å; K598-L621 HydrophobicContact CB-CD2 4.21Å; K598-L621 HydrophobicContact CB-CG 4.44Å; K598-L621 HydrophobicContact CD-CB 4.44Å; K598-L621 HydrophobicContact CD-CD2 3.82Å; K598-L621 PolarHBondContact N-O 3.36Å; L621-L633 HydrophobicContact CD1-CB 4.29Å; L621-W634 WeakPolarHBondContact CA-O 3.47Å; L621-L644 HydrophobicContact CD1-CD1 3.71Å; L621-W696 HydrophobicContact CD2-CZ2 3.83Å
622	L	95.2	Very high	80.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.5	174.4	179.3	77.6	0	0	0	109.9	A519 V527 V529 L586 V595 F597 T624 L633 W634 I636	A519-L622 HydrophobicContact CB-CD1 3.8Å; A519-L622 HydrophobicContact CB-CD2 4.01Å; V527-L622 HydrophobicContact CG1-CD2 4.11Å; V529-L622 HydrophobicContact CG2-CD2 4.1Å; L586-L622 HydrophobicContact CD1-CD2 4.19Å; V595-L622 HydrophobicContact CB-CD1 4.37Å; F597-L622 HydrophobicContact CD1-CB 4.25Å; F597-L622 HydrophobicContact CD1-CD1 4.08Å; F597-L622 HydrophobicContact CD2-CD1 3.8Å; F597-L622 HydrophobicContact CE1-CB 4.15Å; F597-L622 HydrophobicContact CE1-CD1 4.06Å; F597-L622 HydrophobicContact CE2-CD1 3.76Å; F597-L622 HydrophobicContact CG-CD1 3.97Å; F597-L622 HydrophobicContact CZ-CD1 3.89Å; L622-T624 HydrophobicContact CD2-CG2 3.87Å; L622-T624 HydrophobicContact CG-CG2 3.98Å; L622-L633 WeakPolarHBondContact O-CA 3.41Å; L622-W634 HydrophobicContact CB-CB 4.44Å; L622-W634 PolarHBondContact N-O 3.07Å; L622-W634 PolarHBondContact O-N 2.83Å; L622-I636 HydrophobicContact CB-CD1 3.56Å; L622-I636 HydrophobicContact CD2-CD1 3.86Å; L622-I636 HydrophobicContact CG-CD1 4.27Å
623	A	96.7	Very high	82.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.6	167.9	0	0	0	0	0	110.4	V595 A596 V631 R632 L633 L658 F660 I667	V595-A623 WeakPolarHBondContact CA-O 3.45Å; A596-A623 PolarHBondContact N-O 3.12Å; A596-A623 PolarHBondContact O-N 3.26Å; A623-V631 HydrophobicContact CB-CG1 4.48Å; A623-R632 WeakPolarHBondContact CA-O 3.41Å; A623-L633 HydrophobicContact CB-CD2 3.69Å; A623-L658 HydrophobicContact CB-CD1 3.59Å; A623-L658 HydrophobicContact CB-CD2 4.29Å; A623-F660 HydrophobicContact CB-CE2 3.75Å; A623-F660 HydrophobicContact CB-CZ 3.79Å; A623-I667 HydrophobicContact CB-CD1 4.03Å
624	T	97.3	Very high	84.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133.2	-175.7	57.1	0	0	0	0	110.3	V527 H588 V595 L622 V631 R632 W634 L658	V527-T624 HydrophobicContact CG2-CG2 3.99Å; H588-T624 WeakPolarHBondContact NE2-CB 3.44Å; H588-T624 PolarHBondContact NE2-OG1 2.97Å; V595-T624 HydrophobicContact CG1-CG2 4.05Å; L622-T624 HydrophobicContact CD2-CG2 3.87Å; L622-T624 HydrophobicContact CG-CG2 3.98Å; T624-V631 CarbonylContact O-C 3.36Å; T624-V631 WeakPolarHBondContact O-CA 3.44Å; T624-R632 PolarHBondContact N-O 2.9Å; T624-R632 PolarHBondContact O-N 2.95Å; T624-R632 WeakPolarHBondContact OG1-CB 3.28Å; T624-R632 PolarHBondContact OG1-O 2.89Å; T624-W634 PolarHBondContact OG1-NE1 2.92Å; T624-L658 VanDerWaalsContact C-CD2 3.47Å
625	A	95.9	Very high	86.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.6	-177.6	0	0	0	0	0	111.1	V592 Y593 S594 I655 L658	V592-A625 WeakPolarHBondContact CA-O 3.47Å; V592-A625 VanDerWaalsContact CG1-O 3.28Å; V592-A625 WeakPolarHBondContact CG1-O 3.46Å; Y593-A625 PolarHBondContact N-O 2.73Å; Y593-A625 VanDerWaalsContact N-O 3.12Å; S594-A625 PolarHBondContact O-N 2.83Å; A625-I655 HydrophobicContact CB-CB 3.96Å; A625-I655 HydrophobicContact CB-CG2 3.61Å; A625-L658 HydrophobicContact CB-CB 4.22Å; A625-L658 HydrophobicContact CB-CD2 3.55Å; A625-L658 HydrophobicContact CB-CG 4.43Å; A625-L658 VanDerWaalsContact N-CD2 3.28Å
626	C	94.7	Very high	88.3	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.2	-169.1	-179	0	0	0	0	112.2	N590 F591 D628 R629	N590-C626 VanDerWaalsContact C-SG 3.54Å; N590-C626 PolarHBondContact O-SG 3.38Å; F591-C626 CarbonylContact O-C 3.52Å; F591-C626 VanDerWaalsContact O-CA 3.25Å; F591-C626 WeakPolarHBondContact O-CA 3.26Å; F591-C626 PolarHBondContact O-SG 2.95Å; C626-D628 VanDerWaalsContact CB-OD1 3.24Å; C626-D628 WeakPolarHBondContact CB-OD1 3.49Å; C626-D628 PolarHBondContact O-N 3.5Å; C626-D628 VanDerWaalsContact O-N 3.15Å; C626-D628 PolarHBondContact SG-OD1 3.42Å; C626-R629 PolarHBondContact O-N 2.86Å; C626-R629 VanDerWaalsContact O-N 3.1Å
627	Y	95.1	Very high	89.5	Confident	76 Å²	76	33.1 Å²	33.1	30%	0.298	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.3	176.4	-176.8	-82.3	0	0	0	113.2	N590 F591 Y593 R629 H654	N590-Y627 HydrophobicContact CB-CD1 4.33Å; N590-Y627 VanDerWaalsContact ND2-CD1 3.28Å; N590-Y627 WeakPolarHBondContact ND2-CD1 3.34Å; F591-Y627 PolarHBondContact O-N 3.16Å; Y593-Y627 AromaticContact CE2-CD2 3.95Å; Y593-Y627 HydrophobicContact CE2-CD2 3.95Å; Y593-Y627 HydrophobicContact CE2-CG 4.43Å; Y593-Y627 WeakPolarHBondContact OH-CD2 3.38Å; Y627-R629 PolarHBondContact O-N 2.89Å; Y627-R629 VanDerWaalsContact O-N 3.12Å; Y627-H654 HydrophobicContact CD2-CB 3.5Å; Y627-H654 AromaticContact CD2-CD2 3.86Å; Y627-H654 AromaticContact CD2-CG 3.67Å; Y627-H654 HydrophobicContact CE2-CB 4.01Å; Y627-H654 AromaticContact CE2-CG 3.81Å; Y627-H654 AromaticContact CE2-ND1 3.95Å; Y627-H654 HydrophobicContact CG-CB 3.88Å
628	D	93.7	Very high	90	Very high	42 Å²	42	31.2 Å²	31.2	23%	0.225	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-0.9	175.3	80.8	-28.4	0	0	0	115.1	P589 C626 V630 R632	P589-D628 HydrophobicContact CG-CB 3.79Å; P589-D628 WeakPolarHBondContact CG-OD2 3.42Å; C626-D628 VanDerWaalsContact CB-OD1 3.24Å; C626-D628 WeakPolarHBondContact CB-OD1 3.49Å; C626-D628 PolarHBondContact O-N 3.5Å; C626-D628 VanDerWaalsContact O-N 3.15Å; C626-D628 PolarHBondContact SG-OD1 3.42Å; D628-V630 WeakPolarHBondContact OD1-CB 3.45Å; D628-V630 PolarHBondContact OD1-N 3.46Å; D628-V630 VanDerWaalsContact OD1-N 3.11Å; D628-V630 WeakPolarHBondContact OD2-CG2 3.46Å; D628-R632 VanDerWaalsContact CG-NH1 3.3Å; D628-R632 IonicContact OD1-NH1 2.79Å; D628-R632 PolarHBondContact OD1-NH1 3.03Å; D628-R632 VanDerWaalsContact OD1-NH1 3.15Å; D628-R632 IonicContact OD2-CZ 3.16Å; D628-R632 IonicContact OD2-NH1 2.73Å; D628-R632 PolarHBondContact OD2-NH1 3.24Å; D628-R632 IonicContact OD2-NH2 2.64Å; D628-R632 PolarHBondContact OD2-NH2 3.04Å
629	R	95.6	Very high	90	Very high	133 Å²	133	33.6 Å²	33.6	50%	0.502	16%	0.156	S	C	.	.	S	Bend	trans	75.6	23.2	177.1	-40.8	179.7	-87.3	-159.3	-10.6	114.1	C626 Y627 H651 Q652 S653	C626-R629 PolarHBondContact O-N 2.86Å; C626-R629 VanDerWaalsContact O-N 3.1Å; Y627-R629 PolarHBondContact O-N 2.89Å; Y627-R629 VanDerWaalsContact O-N 3.12Å; R629-H651 HydrophobicContact CB-CB 4.39Å; R629-Q652 WeakPolarHBondContact CD-O 3.45Å; R629-Q652 PolarHBondContact NH1-O 2.89Å; R629-S653 WeakPolarHBondContact CG-O 3.26Å
630	V	95.9	Very high	89.8	Confident	13 Å²	13	35.3 Å²	35.3	8%	0.079	16%	0.161	C	C	.	.			trans	-119	130.8	179.7	-176.7	0	0	0	0	110.6	D628 R632 E646 L647 N648	D628-V630 WeakPolarHBondContact OD1-CB 3.45Å; D628-V630 PolarHBondContact OD1-N 3.46Å; D628-V630 VanDerWaalsContact OD1-N 3.11Å; D628-V630 WeakPolarHBondContact OD2-CG2 3.46Å; V630-R632 HydrophobicContact CG1-CG 3.96Å; V630-E646 HydrophobicContact CG1-CB 3.86Å; V630-E646 HydrophobicContact CG1-CG 4.46Å; V630-L647 WeakPolarHBondContact CA-O 3.12Å; V630-N648 HydrophobicContact CB-CB 4.48Å; V630-N648 HydrophobicContact CG1-CB 4.16Å; V630-N648 HydrophobicContact CG2-CB 3.79Å
631	V	96.4	Very high	89.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.7	164.5	-174.3	0	0	0	0	108.3	A623 T624 L633 L647 I655	A623-V631 HydrophobicContact CB-CG1 4.48Å; T624-V631 CarbonylContact O-C 3.36Å; T624-V631 WeakPolarHBondContact O-CA 3.44Å; V631-L633 HydrophobicContact CG1-CD2 4.44Å; V631-L647 HydrophobicContact CB-CB 4.14Å; V631-L647 HydrophobicContact CB-CD1 4.35Å; V631-L647 HydrophobicContact CG1-CD1 4.45Å; V631-L647 PolarHBondContact N-O 2.88Å; V631-L647 WeakPolarHBondContact O-CB 3.38Å; V631-L647 PolarHBondContact O-N 2.68Å; V631-I655 HydrophobicContact CG2-CD1 3.64Å
632	R	95.9	Very high	89.4	Confident	17 Å²	17	39.8 Å²	39.8	6%	0.064	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.9	179.9	-63.6	-177.8	169.5	75.8	9.6	111.6	A623 T624 D628 V630 W634 L643 E646	A623-R632 WeakPolarHBondContact CA-O 3.41Å; T624-R632 PolarHBondContact N-O 2.9Å; T624-R632 PolarHBondContact O-N 2.95Å; T624-R632 WeakPolarHBondContact OG1-CB 3.28Å; T624-R632 PolarHBondContact OG1-O 2.89Å; D628-R632 VanDerWaalsContact CG-NH1 3.3Å; D628-R632 IonicContact OD1-NH1 2.79Å; D628-R632 PolarHBondContact OD1-NH1 3.03Å; D628-R632 VanDerWaalsContact OD1-NH1 3.15Å; D628-R632 IonicContact OD2-CZ 3.16Å; D628-R632 IonicContact OD2-NH1 2.73Å; D628-R632 PolarHBondContact OD2-NH1 3.24Å; D628-R632 IonicContact OD2-NH2 2.64Å; D628-R632 PolarHBondContact OD2-NH2 3.04Å; V630-R632 HydrophobicContact CG1-CG 3.96Å; R632-W634 HydrophobicContact CB-CZ2 4.42Å; R632-L643 HydrophobicContact CB-CD1 3.91Å; R632-L643 HydrophobicContact CG-CD1 4.37Å; R632-E646 HydrophobicContact CG-CG 4.18Å; R632-E646 IonicContact CZ-OE1 3.41Å; R632-E646 IonicContact NE-OE1 3.93Å; R632-E646 PolarHBondContact NE-OE1 3.36Å; R632-E646 IonicContact NH2-OE1 3.95Å; R632-E646 PolarHBondContact NH2-OE1 2.91Å; R632-E646 VanDerWaalsContact NH2-OE1 3.14Å; R632-E646 IonicContact NH2-OE2 2.68Å
633	L	95.5	Very high	89.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.2	-177.7	-56.6	-173.3	0	0	0	111.1	L621 L622 A623 V631 L644 Q645 L647 I667 W696	L621-L633 HydrophobicContact CD1-CB 4.29Å; L622-L633 WeakPolarHBondContact O-CA 3.41Å; A623-L633 HydrophobicContact CB-CD2 3.69Å; V631-L633 HydrophobicContact CG1-CD2 4.44Å; L633-L644 PolarHBondContact O-N 3.46Å; L633-Q645 HydrophobicContact CD1-CB 4.5Å; L633-Q645 PolarHBondContact N-O 2.89Å; L633-Q645 PolarHBondContact O-N 3.3Å; L633-L647 HydrophobicContact CD1-CD1 4.04Å; L633-L647 HydrophobicContact CD2-CD1 4.39Å; L633-L647 HydrophobicContact CG-CD1 4.16Å; L633-I667 HydrophobicContact CD2-CD1 3.56Å; L633-W696 HydrophobicContact CD1-CB 3.84Å; L633-W696 HydrophobicContact CD1-CD2 3.84Å; L633-W696 HydrophobicContact CD1-CG 3.36Å
634	W	93.2	Very high	88.9	Confident	24 Å²	24	45.7 Å²	45.7	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	-174.4	-52.7	84.3	0	0	0	111.1	L586 H588 L621 L622 T624 R632 Q642 L643	L586-W634 HydrophobicContact CB-CH2 4.1Å; L586-W634 HydrophobicContact CB-CZ2 4.16Å; L586-W634 HydrophobicContact CB-CZ3 4.3Å; L586-W634 HydrophobicContact CD1-CB 4.43Å; L586-W634 HydrophobicContact CD1-CD2 3.81Å; L586-W634 HydrophobicContact CD1-CE3 4.11Å; L586-W634 HydrophobicContact CD1-CG 3.95Å; L586-W634 HydrophobicContact CD2-CD2 4.47Å; L586-W634 HydrophobicContact CD2-CE3 3.92Å; L586-W634 HydrophobicContact CD2-CZ3 4.01Å; L586-W634 HydrophobicContact CG-CE3 4.43Å; H588-W634 AromaticContact CE1-CE2 3.94Å; H588-W634 AromaticContact CE1-CZ2 3.63Å; H588-W634 AromaticContact CE1-NE1 3.77Å; H588-W634 AromaticContact NE2-NE1 3.88Å; L621-W634 WeakPolarHBondContact CA-O 3.47Å; L622-W634 HydrophobicContact CB-CB 4.44Å; L622-W634 PolarHBondContact N-O 3.07Å; L622-W634 PolarHBondContact O-N 2.83Å; T624-W634 PolarHBondContact OG1-NE1 2.92Å; R632-W634 HydrophobicContact CB-CZ2 4.42Å; W634-Q642 CarbonylContact C-O 3.51Å; W634-Q642 WeakPolarHBondContact CA-O 3.48Å; W634-L643 HydrophobicContact CD2-CB 4.46Å; W634-L643 HydrophobicContact CD2-CD1 4.01Å; W634-L643 HydrophobicContact CE3-CB 3.83Å; W634-L643 HydrophobicContact CE3-CD1 4.2Å; W634-L643 HydrophobicContact CH2-CB 4.31Å; W634-L643 HydrophobicContact CH2-CD1 4.22Å; W634-L643 HydrophobicContact CZ2-CD1 4.02Å; W634-L643 HydrophobicContact CZ3-CB 3.74Å; W634-L643 HydrophobicContact CZ3-CD1 4.3Å
635	S	90.6	Very high	88.6	Confident	8 Å²	8	47.8 Å²	47.8	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.8	164	177.2	0	0	0	0	109.2	H620 K637 T641 Q642	H620-S635 WeakPolarHBondContact O-CA 3.43Å; S635-K637 WeakPolarHBondContact OG-CE 3.45Å; S635-T641 CarbonylContact O-C 3.56Å; S635-T641 WeakPolarHBondContact O-CA 3.43Å; S635-Q642 PolarHBondContact N-O 3.41Å; S635-Q642 PolarHBondContact O-N 3.25Å
636	I	87.4	Confident	88.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.9	178.6	-65.4	161.4	0	0	0	108.3	I517 V529 F597 H620 L622 T641	I517-I636 HydrophobicContact CD1-CG2 4.18Å; V529-I636 HydrophobicContact CG1-CD1 3.99Å; V529-I636 HydrophobicContact CG1-CG2 4.11Å; V529-I636 HydrophobicContact CG2-CD1 3.98Å; F597-I636 HydrophobicContact CE1-CD1 3.69Å; F597-I636 HydrophobicContact CZ-CD1 4.06Å; H620-I636 HydrophobicContact CB-CB 4.37Å; H620-I636 PolarHBondContact N-O 3.4Å; H620-I636 PolarHBondContact O-N 2.9Å; L622-I636 HydrophobicContact CB-CD1 3.56Å; L622-I636 HydrophobicContact CD2-CD1 3.86Å; L622-I636 HydrophobicContact CG-CD1 4.27Å; I636-T641 HydrophobicContact CB-CG2 4.49Å; I636-T641 HydrophobicContact CG1-CG2 4.04Å; I636-T641 HydrophobicContact CG2-CG2 4.39Å
637	K	80.7	Confident	88.5	Confident	62 Å²	62	51.6 Å²	51.6	27%	0.27	24%	0.244	S	C	.	.			trans	-111	176.2	-176.3	-55	-171.1	155.8	172.8	0	110.6	R531 D619 S635 N639 E640	R531-K637 PolarHBondContact NH2-O 3.43Å; D619-K637 WeakPolarHBondContact OD1-CE 3.29Å; D619-K637 WeakPolarHBondContact OD1-CG 3.17Å; D619-K637 WeakPolarHBondContact OD2-CE 3.46Å; D619-K637 IonicContact OD2-NZ 3.46Å; D619-K637 PolarHBondContact OD2-NZ 2.88Å; S635-K637 WeakPolarHBondContact OG-CE 3.45Å; K637-N639 VanDerWaalsContact C-N 3.29Å; K637-N639 PolarHBondContact O-N 3.02Å; K637-E640 HydrophobicContact CB-CB 4.46Å; K637-E640 WeakPolarHBondContact CB-O 3.45Å; K637-E640 PolarHBondContact N-O 3.05Å
638	H	67.2	Low	88.3	Confident	65 Å²	65	52.4 Å²	52.4	30%	0.301	25%	0.253	S	S	.	.	S	Bend	trans	-58.7	-34.8	175.9	-172.1	-65.5	0	0	0	113.5	Q494 R531	Q494-H638 WeakPolarHBondContact CG-NE2 3.45Å; Q494-H638 PolarHBondContact NE2-CE1 2.86Å; R531-H638 PolarHBondContact NH1-O 3.13Å; R531-H638 VanDerWaalsContact NH2-C 3.28Å; R531-H638 PolarHBondContact NH2-O 2.9Å
639	N	65.1	Low	87.9	Confident	129 Å²	129	54.4 Å²	54.4	69%	0.69	28%	0.284	S	S	*	.	S	Bend	trans	-122.8	-10	-178.4	-73.9	-7.8	0	0	0	114.7	K637	K637-N639 VanDerWaalsContact C-N 3.29Å; K637-N639 PolarHBondContact O-N 3.02Å
640	E	74	Confident	87.7	Confident	128 Å²	128	49.1 Å²	49.1	60%	0.598	27%	0.266	S	S	*	.			trans	-137.8	152.8	-166.5	-62.6	-179.8	160.6	0	0	111.1	K637	K637-E640 HydrophobicContact CB-CB 4.46Å; K637-E640 WeakPolarHBondContact CB-O 3.45Å; K637-E640 PolarHBondContact N-O 3.05Å
641	T	84	Confident	87.6	Confident	47 Å²	47	49.2 Å²	49.2	29%	0.288	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.6	168.1	54	0	0	0	0	108.5	N584 L586 S635 I636	N584-T641 HydrophobicContact CB-CG2 3.99Å; L586-T641 HydrophobicContact CD2-CG2 4.36Å; S635-T641 CarbonylContact O-C 3.56Å; S635-T641 WeakPolarHBondContact O-CA 3.43Å; I636-T641 HydrophobicContact CB-CG2 4.49Å; I636-T641 HydrophobicContact CG1-CG2 4.04Å; I636-T641 HydrophobicContact CG2-CG2 4.39Å
642	Q	86.8	Confident	87.3	Confident	90 Å²	90	54.7 Å²	54.7	42%	0.421	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124	-173.6	-178.6	177.9	8.5	0	0	109.9	W634 S635 L644	W634-Q642 CarbonylContact C-O 3.51Å; W634-Q642 WeakPolarHBondContact CA-O 3.48Å; S635-Q642 PolarHBondContact N-O 3.41Å; S635-Q642 PolarHBondContact O-N 3.25Å; Q642-L644 HydrophobicContact CG-CD2 4.38Å; Q642-L644 PolarHBondContact O-N 2.67Å
643	L	91.3	Very high	87.2	Confident	67 Å²	67	55 Å²	55	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	118.7	164.6	-177.9	66	0	0	0	108.2	R632 W634 E646	R632-L643 HydrophobicContact CB-CD1 3.91Å; R632-L643 HydrophobicContact CG-CD1 4.37Å; W634-L643 HydrophobicContact CD2-CB 4.46Å; W634-L643 HydrophobicContact CD2-CD1 4.01Å; W634-L643 HydrophobicContact CE3-CB 3.83Å; W634-L643 HydrophobicContact CE3-CD1 4.2Å; W634-L643 HydrophobicContact CH2-CB 4.31Å; W634-L643 HydrophobicContact CH2-CD1 4.22Å; W634-L643 HydrophobicContact CZ2-CD1 4.02Å; W634-L643 HydrophobicContact CZ3-CB 3.74Å; W634-L643 HydrophobicContact CZ3-CD1 4.3Å; L643-E646 HydrophobicContact CD1-CG 4.46Å; L643-E646 HydrophobicContact CD2-CG 4.07Å
644	L	90.2	Very high	87.1	Confident	58 Å²	58	57.1 Å²	57.1	30%	0.304	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-47.5	177.6	-63.5	-175.5	0	0	0	111.2	L621 L633 Q642	L621-L644 HydrophobicContact CD1-CD1 3.71Å; L633-L644 PolarHBondContact O-N 3.46Å; Q642-L644 HydrophobicContact CG-CD2 4.38Å; Q642-L644 PolarHBondContact O-N 2.67Å
645	Q	92.2	Very high	87.3	Confident	44 Å²	44	56 Å²	56	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	143	-172.1	-172.4	169.6	-6	0	0	111.4	L633 L647 W696	L633-Q645 HydrophobicContact CD1-CB 4.5Å; L633-Q645 PolarHBondContact N-O 2.89Å; L633-Q645 PolarHBondContact O-N 3.3Å; Q645-L647 HydrophobicContact CG-CD2 4Å; Q645-L647 VanDerWaalsContact NE2-CD2 3.33Å; Q645-W696 PolarHBondContact NE2-O 2.92Å
646	E	93.9	Very high	87.4	Confident	74 Å²	74	55.9 Å²	55.9	35%	0.346	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.3	163	-58.1	-159.5	147.6	0	0	109.5	V630 R632 L643	V630-E646 HydrophobicContact CG1-CB 3.86Å; V630-E646 HydrophobicContact CG1-CG 4.46Å; R632-E646 HydrophobicContact CG-CG 4.18Å; R632-E646 IonicContact CZ-OE1 3.41Å; R632-E646 IonicContact NE-OE1 3.93Å; R632-E646 PolarHBondContact NE-OE1 3.36Å; R632-E646 IonicContact NH2-OE1 3.95Å; R632-E646 PolarHBondContact NH2-OE1 2.91Å; R632-E646 VanDerWaalsContact NH2-OE1 3.14Å; R632-E646 IonicContact NH2-OE2 2.68Å; L643-E646 HydrophobicContact CD1-CG 4.46Å; L643-E646 HydrophobicContact CD2-CG 4.07Å
647	L	94	Very high	87.9	Confident	6 Å²	6	56 Å²	56	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	101.2	179.9	-59.4	176.3	0	0	0	107.9	V630 V631 L633 Q645 W679 W696	V630-L647 WeakPolarHBondContact CA-O 3.12Å; V631-L647 HydrophobicContact CB-CB 4.14Å; V631-L647 HydrophobicContact CB-CD1 4.35Å; V631-L647 HydrophobicContact CG1-CD1 4.45Å; V631-L647 PolarHBondContact N-O 2.88Å; V631-L647 WeakPolarHBondContact O-CB 3.38Å; V631-L647 PolarHBondContact O-N 2.68Å; L633-L647 HydrophobicContact CD1-CD1 4.04Å; L633-L647 HydrophobicContact CD2-CD1 4.39Å; L633-L647 HydrophobicContact CG-CD1 4.16Å; Q645-L647 HydrophobicContact CG-CD2 4Å; Q645-L647 VanDerWaalsContact NE2-CD2 3.33Å; L647-W679 HydrophobicContact CB-CD2 4.12Å; L647-W679 HydrophobicContact CB-CE3 3.95Å; L647-W679 HydrophobicContact CB-CH2 3.79Å; L647-W679 HydrophobicContact CB-CZ2 3.97Å; L647-W679 HydrophobicContact CB-CZ3 3.79Å; L647-W679 HydrophobicContact CD1-CB 4.23Å; L647-W679 HydrophobicContact CD1-CD2 3.85Å; L647-W679 HydrophobicContact CD1-CE3 4.06Å; L647-W679 HydrophobicContact CD1-CG 3.93Å; L647-W679 HydrophobicContact CD2-CE3 3.94Å; L647-W679 HydrophobicContact CD2-CZ3 4.17Å; L647-W679 HydrophobicContact CG-CD2 4.41Å; L647-W679 HydrophobicContact CG-CE3 4.21Å; L647-W679 HydrophobicContact CG-CZ3 4.44Å; L647-W696 HydrophobicContact CD1-CB 4.34Å; L647-W696 HydrophobicContact CD2-CB 3.99Å
648	N	91	Very high	88.6	Confident	93 Å²	93	53.3 Å²	53.3	50%	0.497	29%	0.289	S	S	.	.			trans	-131.4	175.7	-168.1	60	8.1	0	0	0	112	V630 V650	V630-N648 HydrophobicContact CB-CB 4.48Å; V630-N648 HydrophobicContact CG1-CB 4.16Å; V630-N648 HydrophobicContact CG2-CB 3.79Å; N648-V650 VanDerWaalsContact C-N 3.31Å; N648-V650 PolarHBondContact O-N 3.18Å
649	G	84.6	Confident	90	Very high	83 Å²	83	51.4 Å²	51.4	86%	0.856	28%	0.282	S	S	*	.	S	Bend	trans	77.4	-0.6	171.1	0	0	0	0	0	117.2
650	V	92.2	Very high	91.4	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.139	25%	0.252	C	S	.	.	S	Bend	trans	-106.8	-42.9	-177.4	-175.8	0	0	0	0	113	N648 V677 W679 F698 K701	N648-V650 VanDerWaalsContact C-N 3.31Å; N648-V650 PolarHBondContact O-N 3.18Å; V650-V677 HydrophobicContact CB-CG1 4.38Å; V650-V677 HydrophobicContact CG1-CB 4.38Å; V650-V677 HydrophobicContact CG1-CG1 3.71Å; V650-V677 HydrophobicContact CG1-CG2 3.66Å; V650-W679 HydrophobicContact CB-CH2 3.86Å; V650-W679 HydrophobicContact CB-CZ2 4.21Å; V650-W679 HydrophobicContact CG2-CH2 3.51Å; V650-W679 HydrophobicContact CG2-CZ2 4.33Å; V650-W679 HydrophobicContact CG2-CZ3 3.99Å; V650-F698 HydrophobicContact CB-CD2 4.41Å; V650-F698 HydrophobicContact CG1-CD2 3.65Å; V650-F698 HydrophobicContact CG1-CE2 3.58Å; V650-F698 HydrophobicContact CG1-CZ 4.44Å; V650-F698 HydrophobicContact CG2-CB 4.23Å; V650-F698 HydrophobicContact CG2-CD2 3.91Å; V650-F698 HydrophobicContact CG2-CG 4.1Å; V650-K701 HydrophobicContact CG1-CD 4.44Å; V650-K701 VanDerWaalsContact CG1-CE 3.48Å; V650-K701 HydrophobicContact CG1-CG 4.14Å; V650-K701 WeakPolarHBondContact O-CE 3.44Å; V650-K701 PolarHBondContact O-NZ 3.19Å
651	H	92.8	Very high	92.3	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	23%	0.226	C	C	.	.			trans	-74.6	145.7	177.6	-81.6	-63.9	0	0	0	111.9	R629 I655 S669 D671 V677	R629-H651 HydrophobicContact CB-CB 4.39Å; H651-I655 HydrophobicContact CB-CD1 4.31Å; H651-I655 HydrophobicContact CB-CG1 4.18Å; H651-I655 WeakPolarHBondContact CD2-CD1 3.31Å; H651-S669 PolarHBondContact CE1-O 2.92Å; H651-S669 PolarHBondContact NE2-OG 2.75Å; H651-D671 IonicContact ND1-OD2 3.7Å; H651-V677 WeakPolarHBondContact CE1-CG2 3.37Å
652	Q	90.4	Very high	92.5	Very high	116 Å²	116	40 Å²	40	54%	0.542	23%	0.225	S	C	.	.	S	Bend	trans	-98.7	-36.7	-177.6	-68.1	-179	-1.9	0	0	111.2	R629 D671 L673	R629-Q652 WeakPolarHBondContact CD-O 3.45Å; R629-Q652 PolarHBondContact NH1-O 2.89Å; Q652-D671 PolarHBondContact N-OD2 2.92Å; Q652-L673 HydrophobicContact CB-CD1 3.99Å
653	S	93.8	Very high	92.4	Very high	23 Å²	23	39.1 Å²	39.1	16%	0.161	22%	0.223	C	C	.	.	S	Bend	trans	-120	-177.9	177.8	-162.9	0	0	0	0	112.3	R629 D671	R629-S653 WeakPolarHBondContact CG-O 3.26Å; S653-D671 PolarHBondContact N-OD2 3.36Å
654	H	93.4	Very high	92.3	Very high	46 Å²	46	35.9 Å²	35.9	21%	0.213	21%	0.206	C	C	.	.			trans	-64.1	138.4	-178.5	51.9	-72.5	0	0	0	111.7	Y593 Y627 N656 D671 A672	Y593-H654 HydrophobicContact CE2-CB 4.41Å; Y593-H654 AromaticContact CE2-CD2 3.87Å; Y627-H654 HydrophobicContact CD2-CB 3.5Å; Y627-H654 AromaticContact CD2-CD2 3.86Å; Y627-H654 AromaticContact CD2-CG 3.67Å; Y627-H654 HydrophobicContact CE2-CB 4.01Å; Y627-H654 AromaticContact CE2-CG 3.81Å; Y627-H654 AromaticContact CE2-ND1 3.95Å; Y627-H654 HydrophobicContact CG-CB 3.88Å; H654-N656 PolarHBondContact CD2-OD1 3.21Å; H654-D671 CarbonylContact O-C 3.37Å; H654-D671 VanDerWaalsContact O-CA 3.25Å; H654-D671 WeakPolarHBondContact O-CA 3.28Å; H654-D671 WeakPolarHBondContact O-CB 3.23Å; H654-A672 WeakPolarHBondContact CE1-CB 3.34Å; H654-A672 WeakPolarHBondContact NE2-CB 3.11Å; H654-A672 PolarHBondContact O-N 3.09Å
655	I	96.8	Very high	92.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.2	-173.6	-50.7	169.1	0	0	0	108.8	A625 V631 H651 G670	A625-I655 HydrophobicContact CB-CB 3.96Å; A625-I655 HydrophobicContact CB-CG2 3.61Å; V631-I655 HydrophobicContact CG2-CD1 3.64Å; H651-I655 HydrophobicContact CB-CD1 4.31Å; H651-I655 HydrophobicContact CB-CG1 4.18Å; H651-I655 WeakPolarHBondContact CD2-CD1 3.31Å; I655-G670 WeakPolarHBondContact CG2-O 3.21Å
656	N	94.7	Very high	92.3	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.032	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-32.8	-174.7	-69.9	-17.3	0	0	0	112.7	Y593 H654 G670 I711 I712	Y593-N656 VanDerWaalsContact CB-O 3.23Å; Y593-N656 WeakPolarHBondContact CB-O 3.47Å; H654-N656 PolarHBondContact CD2-OD1 3.21Å; N656-G670 PolarHBondContact N-O 2.99Å; N656-I711 WeakPolarHBondContact ND2-CG2 3.29Å; N656-I712 WeakPolarHBondContact CB-O 3.47Å; N656-I712 PolarHBondContact ND2-O 2.94Å
657	S	96.1	Very high	92.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.1	-174.9	-161.4	0	0	0	0	112.6	S669 G670 L715	S657-S669 WeakPolarHBondContact O-CA 3.05Å; S657-G670 PolarHBondContact O-N 3.24Å; S657-L715 PolarHBondContact OG-N 2.83Å
658	L	96.2	Very high	92.6	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.2	173.2	83.8	92.9	0	0	0	110.1	S594 A596 A623 T624 A625 I667 Y668	S594-L658 WeakPolarHBondContact O-CD2 3.25Å; S594-L658 PolarHBondContact OG-N 3.1Å; A596-L658 HydrophobicContact CB-CD1 3.62Å; A596-L658 HydrophobicContact CB-CG 4.48Å; A623-L658 HydrophobicContact CB-CD1 3.59Å; A623-L658 HydrophobicContact CB-CD2 4.29Å; T624-L658 VanDerWaalsContact C-CD2 3.47Å; A625-L658 HydrophobicContact CB-CB 4.22Å; A625-L658 HydrophobicContact CB-CD2 3.55Å; A625-L658 HydrophobicContact CB-CG 4.43Å; A625-L658 VanDerWaalsContact N-CD2 3.28Å; L658-I667 HydrophobicContact CD1-CG2 4.48Å; L658-Y668 CarbonylContact C-O 3.56Å; L658-Y668 VanDerWaalsContact CA-O 3.24Å; L658-Y668 WeakPolarHBondContact CA-O 3.23Å
659	T	96.2	Very high	92.9	Very high	25 Å²	25	28 Å²	28	15%	0.153	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.8	175	-166.1	0	0	0	0	111.3	I667 Y668 L715 F717 L724	T659-I667 WeakPolarHBondContact O-CA 3.45Å; T659-Y668 PolarHBondContact N-O 2.89Å; T659-Y668 PolarHBondContact O-N 3.29Å; T659-L715 HydrophobicContact CG2-CB 4.09Å; T659-F717 HydrophobicContact CG2-CB 4.25Å; T659-L724 HydrophobicContact CG2-CD1 3.87Å
660	F	95.3	Very high	93.5	Very high	12 Å²	12	24 Å²	24	5%	0.053	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	158.7	175.7	-75.9	-94.7	0	0	0	110.5	A596 K598 P599 A623 R666 I667 W696 F717	A596-F660 HydrophobicContact CB-CD2 4.2Å; A596-F660 HydrophobicContact CB-CE2 4.31Å; K598-F660 HydrophobicContact CB-CD1 4.22Å; K598-F660 HydrophobicContact CB-CE1 3.71Å; K598-F660 HydrophobicContact CB-CE2 4.24Å; K598-F660 HydrophobicContact CB-CZ 3.72Å; K598-F660 HydrophobicContact CD-CE1 4.3Å; K598-F660 HydrophobicContact CG-CD1 4.25Å; K598-F660 HydrophobicContact CG-CE1 4.01Å; P599-F660 HydrophobicContact CG-CB 4.11Å; A623-F660 HydrophobicContact CB-CE2 3.75Å; A623-F660 HydrophobicContact CB-CZ 3.79Å; F660-R666 WeakPolarHBondContact CA-O 3.42Å; F660-R666 WeakPolarHBondContact CD1-O 3.42Å; F660-I667 HydrophobicContact CD1-CD1 4.43Å; F660-I667 HydrophobicContact CD1-CG1 3.6Å; F660-I667 HydrophobicContact CE1-CD1 3.66Å; F660-I667 HydrophobicContact CE1-CG1 3.31Å; F660-I667 HydrophobicContact CE2-CG1 4.31Å; F660-I667 HydrophobicContact CG-CG1 4.23Å; F660-I667 HydrophobicContact CZ-CD1 3.75Å; F660-I667 HydrophobicContact CZ-CG1 3.71Å; F660-W696 HydrophobicContact CD1-CH2 4.35Å; F660-W696 AromaticContact CE1-CH2 3.86Å; F660-W696 HydrophobicContact CE1-CH2 3.86Å; F660-W696 HydrophobicContact CE1-CZ2 4.28Å; F660-F717 WeakPolarHBondContact O-CB 3.28Å
661	D	92.7	Very high	93.6	Very high	10 Å²	10	23 Å²	23	5%	0.053	12%	0.118	C	C	.	.			trans	-74.6	168.3	161.8	47.2	11	0	0	0	112.6	P599 D663 G664 S665 R666 Y668 F717	P599-D661 VanDerWaalsContact CG-O 3.24Å; P599-D661 WeakPolarHBondContact CG-O 3.26Å; D661-D663 VanDerWaalsContact CG-OD1 3.27Å; D661-D663 PolarHBondContact O-N 3.5Å; D661-D663 VanDerWaalsContact OD1-OD1 3.13Å; D661-G664 PolarHBondContact O-N 3.27Å; D661-G664 WeakPolarHBondContact OD1-CA 3.49Å; D661-G664 PolarHBondContact OD1-N 3.15Å; D661-S665 PolarHBondContact OD1-N 2.83Å; D661-S665 PolarHBondContact OD2-OG 2.98Å; D661-R666 PolarHBondContact N-O 3.21Å; D661-R666 PolarHBondContact OD1-N 3.49Å; D661-R666 WeakPolarHBondContact OD2-CB 3.43Å; D661-R666 VanDerWaalsContact OD2-CD 3.31Å; D661-R666 WeakPolarHBondContact OD2-CD 3.34Å; D661-R666 WeakPolarHBondContact OD2-CG 3.39Å; D661-R666 PolarHBondContact OD2-N 3.22Å; D661-R666 IonicContact OD2-NE 3.46Å; D661-Y668 HydrophobicContact CB-CE2 3.99Å; D661-F717 HydrophobicContact CB-CD1 4.47Å; D661-F717 HydrophobicContact CB-CD2 3.96Å; D661-F717 HydrophobicContact CB-CE1 4.29Å; D661-F717 HydrophobicContact CB-CE2 3.7Å; D661-F717 HydrophobicContact CB-CG 4.35Å; D661-F717 HydrophobicContact CB-CZ 3.89Å
662	T	87.6	Confident	93.7	Very high	43 Å²	43	22.6 Å²	22.6	26%	0.264	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.7	-173	72.4	0	0	0	0	115.9	K602 F717	K602-T662 VanDerWaalsContact NZ-CB 3.35Å; K602-T662 PolarHBondContact NZ-OG1 2.81Å; T662-F717 HydrophobicContact CG2-CD1 3.75Å; T662-F717 HydrophobicContact CG2-CE1 3.79Å
663	D	84.3	Confident	93.9	Very high	71 Å²	71	19.8 Å²	19.8	38%	0.38	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-9.6	170.9	61.8	20.6	0	0	0	113.2	D661 S665	D661-D663 VanDerWaalsContact CG-OD1 3.27Å; D661-D663 PolarHBondContact O-N 3.5Å; D661-D663 VanDerWaalsContact OD1-OD1 3.13Å; D663-S665 VanDerWaalsContact C-N 3.32Å; D663-S665 WeakPolarHBondContact OD1-CB 3.39Å; D663-S665 PolarHBondContact OD1-N 3.49Å; D663-S665 PolarHBondContact OD1-OG 2.97Å
664	G	89.3	Confident	93.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	73.2	18.9	-178.7	0	0	0	0	0	114.3	K598 D661 W696	K598-G664 WeakPolarHBondContact CD-O 3.14Å; K598-G664 WeakPolarHBondContact CE-O 3.17Å; K598-G664 PolarHBondContact NZ-O 3.37Å; D661-G664 PolarHBondContact O-N 3.27Å; D661-G664 WeakPolarHBondContact OD1-CA 3.49Å; D661-G664 PolarHBondContact OD1-N 3.15Å; G664-W696 WeakPolarHBondContact O-CH2 3.36Å
665	S	90.1	Very high	93.9	Very high	32 Å²	32	17.1 Å²	17.1	22%	0.224	9%	0.092	C	C	.	.	S	Bend	trans	-81.9	-16.9	177.3	72.3	0	0	0	0	113.6	D661 D663 E681	D661-S665 PolarHBondContact OD1-N 2.83Å; D661-S665 PolarHBondContact OD2-OG 2.98Å; D663-S665 VanDerWaalsContact C-N 3.32Å; D663-S665 WeakPolarHBondContact OD1-CB 3.39Å; D663-S665 PolarHBondContact OD1-N 3.49Å; D663-S665 PolarHBondContact OD1-OG 2.97Å; S665-E681 PolarHBondContact O-N 3.39Å
666	R	93.8	Very high	93.9	Very high	74 Å²	74	17.1 Å²	17.1	28%	0.279	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.7	177.7	-52.6	169.6	-160.3	-120.4	4.5	112.7	F660 D661 Y668 I678 W679 K680 E699	F660-R666 WeakPolarHBondContact CA-O 3.42Å; F660-R666 WeakPolarHBondContact CD1-O 3.42Å; D661-R666 PolarHBondContact N-O 3.21Å; D661-R666 PolarHBondContact OD1-N 3.49Å; D661-R666 WeakPolarHBondContact OD2-CB 3.43Å; D661-R666 VanDerWaalsContact OD2-CD 3.31Å; D661-R666 WeakPolarHBondContact OD2-CD 3.34Å; D661-R666 WeakPolarHBondContact OD2-CG 3.39Å; D661-R666 PolarHBondContact OD2-N 3.22Å; D661-R666 IonicContact OD2-NE 3.46Å; R666-Y668 HydrophobicContact CB-CE2 4Å; R666-Y668 WeakPolarHBondContact CD-OH 3.36Å; R666-I678 HydrophobicContact CB-CG2 4.22Å; R666-I678 HydrophobicContact CG-CG2 4.41Å; R666-W679 CarbonylContact C-O 3.57Å; R666-W679 WeakPolarHBondContact CA-O 3.48Å; R666-W679 WeakPolarHBondContact CB-O 3.49Å; R666-K680 HydrophobicContact CG-CB 4.48Å; R666-E699 IonicContact CZ-OE1 3.2Å; R666-E699 IonicContact CZ-OE2 3.08Å; R666-E699 IonicContact NH1-OE1 3.39Å; R666-E699 PolarHBondContact NH1-OE1 3.05Å; R666-E699 IonicContact NH1-OE2 2.78Å; R666-E699 PolarHBondContact NH1-OE2 3.12Å
667	I	96.6	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	169.6	-65.7	163.2	0	0	0	108.1	A623 L633 L658 T659 F660 I678 W679 W696	A623-I667 HydrophobicContact CB-CD1 4.03Å; L633-I667 HydrophobicContact CD2-CD1 3.56Å; L658-I667 HydrophobicContact CD1-CG2 4.48Å; T659-I667 WeakPolarHBondContact O-CA 3.45Å; F660-I667 HydrophobicContact CD1-CD1 4.43Å; F660-I667 HydrophobicContact CD1-CG1 3.6Å; F660-I667 HydrophobicContact CE1-CD1 3.66Å; F660-I667 HydrophobicContact CE1-CG1 3.31Å; F660-I667 HydrophobicContact CE2-CG1 4.31Å; F660-I667 HydrophobicContact CG-CG1 4.23Å; F660-I667 HydrophobicContact CZ-CD1 3.75Å; F660-I667 HydrophobicContact CZ-CG1 3.71Å; I667-I678 WeakPolarHBondContact O-CA 3.46Å; I667-W679 HydrophobicContact CB-CB 4.33Å; I667-W679 PolarHBondContact N-O 3.38Å; I667-W679 PolarHBondContact O-N 3.2Å; I667-W696 HydrophobicContact CB-CZ3 4.28Å; I667-W696 HydrophobicContact CD1-CD2 4.36Å; I667-W696 HydrophobicContact CD1-CE3 3.86Å; I667-W696 HydrophobicContact CD1-CH2 3.96Å; I667-W696 HydrophobicContact CD1-CZ2 4.44Å; I667-W696 HydrophobicContact CD1-CZ3 3.65Å; I667-W696 HydrophobicContact CG1-CE3 4.25Å; I667-W696 HydrophobicContact CG1-CH2 3.94Å; I667-W696 HydrophobicContact CG1-CZ3 3.6Å
668	Y	97	Very high	93.9	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.012	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.1	170	-57.4	-95.2	0	0	0	107.8	L658 T659 D661 R666 I678 F717 L724 L738	L658-Y668 CarbonylContact C-O 3.56Å; L658-Y668 VanDerWaalsContact CA-O 3.24Å; L658-Y668 WeakPolarHBondContact CA-O 3.23Å; T659-Y668 PolarHBondContact N-O 2.89Å; T659-Y668 PolarHBondContact O-N 3.29Å; D661-Y668 HydrophobicContact CB-CE2 3.99Å; R666-Y668 HydrophobicContact CB-CE2 4Å; R666-Y668 WeakPolarHBondContact CD-OH 3.36Å; Y668-I678 HydrophobicContact CD1-CD1 4.18Å; Y668-I678 HydrophobicContact CD1-CG1 3.8Å; Y668-I678 HydrophobicContact CE1-CD1 3.62Å; Y668-I678 HydrophobicContact CE1-CG1 3.71Å; Y668-I678 HydrophobicContact CE1-CG2 4.21Å; Y668-F717 AromaticContact CD2-CD2 3.95Å; Y668-F717 HydrophobicContact CD2-CD2 3.95Å; Y668-F717 AromaticContact CE2-CD2 3.53Å; Y668-F717 HydrophobicContact CE2-CD2 3.53Å; Y668-F717 AromaticContact CE2-CE2 3.7Å; Y668-F717 HydrophobicContact CE2-CE2 3.7Å; Y668-F717 AromaticContact CZ-CD2 3.99Å; Y668-F717 AromaticContact CZ-CE2 3.77Å; Y668-L724 HydrophobicContact CD1-CD2 4.05Å; Y668-L724 HydrophobicContact CG-CD1 4.29Å; Y668-L724 HydrophobicContact CG-CD2 4.36Å; Y668-L738 HydrophobicContact CD1-CD1 4.29Å; Y668-L738 HydrophobicContact CD1-CD2 4.17Å; Y668-L738 HydrophobicContact CE1-CD1 3.5Å; Y668-L738 VanDerWaalsContact CE1-CD1 3.5Å; Y668-L738 HydrophobicContact CE1-CD2 3.78Å; Y668-L738 HydrophobicContact CE1-CG 4.24Å
669	S	97.3	Very high	93.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133.4	-178.4	51.4	0	0	0	0	109.9	H651 S657 I676 V677 W679	H651-S669 PolarHBondContact CE1-O 2.92Å; H651-S669 PolarHBondContact NE2-OG 2.75Å; S657-S669 WeakPolarHBondContact O-CA 3.05Å; S669-I676 CarbonylContact O-C 3.51Å; S669-I676 WeakPolarHBondContact O-CA 3.45Å; S669-V677 PolarHBondContact N-O 2.86Å; S669-V677 PolarHBondContact O-N 3.31Å; S669-V677 PolarHBondContact OG-O 3.19Å; S669-V677 VanDerWaalsContact OG-O 3.08Å; S669-W679 PolarHBondContact OG-NE1 2.93Å
670	G	96.2	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.7	-175.6	0	0	0	0	0	111.6	I655 N656 S657 L675 L715	I655-G670 WeakPolarHBondContact CG2-O 3.21Å; N656-G670 PolarHBondContact N-O 2.99Å; S657-G670 PolarHBondContact O-N 3.24Å; G670-L675 WeakPolarHBondContact CA-O 3.49Å; G670-L715 VanDerWaalsContact N-CD1 3.35Å
671	D	95.4	Very high	93.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	168.8	174.6	86.4	7.5	0	0	0	113.8	H651 Q652 S653 H654 L673 G674 L675	H651-D671 IonicContact ND1-OD2 3.7Å; Q652-D671 PolarHBondContact N-OD2 2.92Å; S653-D671 PolarHBondContact N-OD2 3.36Å; H654-D671 CarbonylContact O-C 3.37Å; H654-D671 VanDerWaalsContact O-CA 3.25Å; H654-D671 WeakPolarHBondContact O-CA 3.28Å; H654-D671 WeakPolarHBondContact O-CB 3.23Å; D671-L673 PolarHBondContact O-N 2.92Å; D671-L673 VanDerWaalsContact O-N 3.15Å; D671-L673 WeakPolarHBondContact OD1-CA 3.2Å; D671-L673 PolarHBondContact OD1-N 3.12Å; D671-G674 PolarHBondContact O-N 2.93Å; D671-G674 PolarHBondContact OD1-N 3.29Å; D671-L675 PolarHBondContact N-O 2.83Å; D671-L675 PolarHBondContact OD1-N 2.84Å
672	A	94	Very high	93.3	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	8.7	-178.7	0	0	0	0	0	115.2	H654 I711	H654-A672 WeakPolarHBondContact CE1-CB 3.34Å; H654-A672 WeakPolarHBondContact NE2-CB 3.11Å; H654-A672 PolarHBondContact O-N 3.09Å; A672-I711 HydrophobicContact CB-CG1 4.36Å; A672-I711 HydrophobicContact CB-CG2 4.26Å; A672-I711 WeakPolarHBondContact O-CG1 3.4Å
673	L	94.3	Very high	92.4	Very high	56 Å²	56	25.2 Å²	25.2	29%	0.293	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	5.7	171	-65.2	172	0	0	0	112.6	Q652 D671 M709	Q652-L673 HydrophobicContact CB-CD1 3.99Å; D671-L673 PolarHBondContact O-N 2.92Å; D671-L673 VanDerWaalsContact O-N 3.15Å; D671-L673 WeakPolarHBondContact OD1-CA 3.2Å; D671-L673 PolarHBondContact OD1-N 3.12Å; L673-M709 HydrophobicContact CD2-CE 4.01Å; L673-M709 HydrophobicContact CD2-SD 3.85Å; L673-M709 PolarHBondContact O-N 3.49Å
674	G	92.6	Very high	91	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	14%	0.137	C	C	.	.	S	Bend	trans	92.8	-0.3	179.6	0	0	0	0	0	115.1	D671 I676 L707 C710	D671-G674 PolarHBondContact O-N 2.93Å; D671-G674 PolarHBondContact OD1-N 3.29Å; G674-I676 PolarHBondContact O-N 3.37Å; G674-L707 VanDerWaalsContact CA-O 3.23Å; G674-L707 WeakPolarHBondContact CA-O 3.22Å; G674-C710 WeakPolarHBondContact CA-O 3.38Å; G674-C710 PolarHBondContact N-O 2.72Å
675	L	95.1	Very high	89.2	Confident	9 Å²	9	34.4 Å²	34.4	5%	0.047	17%	0.173	C	C	.	.			trans	-77	122.3	-178.3	172.4	62.6	0	0	0	110.5	G670 D671 V677 K701 E703	G670-L675 WeakPolarHBondContact CA-O 3.49Å; D671-L675 PolarHBondContact N-O 2.83Å; D671-L675 PolarHBondContact OD1-N 2.84Å; L675-V677 HydrophobicContact CD1-CG2 4.3Å; L675-V677 HydrophobicContact CD2-CG2 4.06Å; L675-V677 HydrophobicContact CG-CG2 3.92Å; L675-K701 HydrophobicContact CD1-CB 4Å; L675-K701 HydrophobicContact CD1-CD 3.76Å; L675-K701 HydrophobicContact CD1-CG 3.99Å; L675-K701 HydrophobicContact CD2-CD 4.21Å; L675-E703 HydrophobicContact CD1-CG 3.63Å
676	I	96.6	Very high	87.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.6	171.6	-62.5	173.5	0	0	0	109	S669 G674 I702 L707 I712 L715 L724 V726 L736	S669-I676 CarbonylContact O-C 3.51Å; S669-I676 WeakPolarHBondContact O-CA 3.45Å; G674-I676 PolarHBondContact O-N 3.37Å; I676-I702 HydrophobicContact CB-CB 4.14Å; I676-I702 HydrophobicContact CG2-CB 4.46Å; I676-I702 PolarHBondContact N-O 3.17Å; I676-I702 VanDerWaalsContact N-O 3.16Å; I676-I702 PolarHBondContact O-N 2.93Å; I676-L707 HydrophobicContact CD1-CD1 3.94Å; I676-I712 HydrophobicContact CD1-CD1 4.08Å; I676-I712 HydrophobicContact CG1-CD1 3.58Å; I676-L715 HydrophobicContact CD1-CD2 4.05Å; I676-L715 HydrophobicContact CG1-CD2 4.47Å; I676-L724 HydrophobicContact CD1-CD2 4.22Å; I676-L724 HydrophobicContact CG2-CD2 4.05Å; I676-V726 HydrophobicContact CD1-CG1 4.23Å; I676-V726 HydrophobicContact CD1-CG2 3.72Å; I676-L736 HydrophobicContact CD1-CD2 4.04Å
677	V	96.5	Very high	84.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	179.5	178.4	0	0	0	0	110.2	V650 H651 S669 L675 W679 F698	V650-V677 HydrophobicContact CB-CG1 4.38Å; V650-V677 HydrophobicContact CG1-CB 4.38Å; V650-V677 HydrophobicContact CG1-CG1 3.71Å; V650-V677 HydrophobicContact CG1-CG2 3.66Å; H651-V677 WeakPolarHBondContact CE1-CG2 3.37Å; S669-V677 PolarHBondContact N-O 2.86Å; S669-V677 PolarHBondContact O-N 3.31Å; S669-V677 PolarHBondContact OG-O 3.19Å; S669-V677 VanDerWaalsContact OG-O 3.08Å; L675-V677 HydrophobicContact CD1-CG2 4.3Å; L675-V677 HydrophobicContact CD2-CG2 4.06Å; L675-V677 HydrophobicContact CG-CG2 3.92Å; V677-W679 HydrophobicContact CG1-CD2 4.15Å; V677-W679 HydrophobicContact CG1-CH2 4.48Å; V677-W679 HydrophobicContact CG1-CZ2 3.76Å; V677-F698 HydrophobicContact CG1-CD2 3.82Å; V677-F698 HydrophobicContact CG1-CE2 4.03Å
678	I	96	Very high	82	Confident	7 Å²	7	57 Å²	57	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126	172.3	-50.7	-177.8	0	0	0	109.3	R666 I667 Y668 E699 K700 I702	R666-I678 HydrophobicContact CB-CG2 4.22Å; R666-I678 HydrophobicContact CG-CG2 4.41Å; I667-I678 WeakPolarHBondContact O-CA 3.46Å; Y668-I678 HydrophobicContact CD1-CD1 4.18Å; Y668-I678 HydrophobicContact CD1-CG1 3.8Å; Y668-I678 HydrophobicContact CE1-CD1 3.62Å; Y668-I678 HydrophobicContact CE1-CG1 3.71Å; Y668-I678 HydrophobicContact CE1-CG2 4.21Å; I678-E699 HydrophobicContact CG2-CB 4.34Å; I678-E699 WeakPolarHBondContact CG2-OE2 3.17Å; I678-E699 PolarHBondContact O-N 3.1Å; I678-K700 HydrophobicContact CB-CB 4.39Å; I678-K700 HydrophobicContact CD1-CB 4.39Å; I678-K700 PolarHBondContact N-O 2.84Å; I678-K700 PolarHBondContact O-N 3.47Å; I678-I702 HydrophobicContact CD1-CD1 3.86Å; I678-I702 HydrophobicContact CD1-CG1 4.27Å; I678-I702 HydrophobicContact CG1-CD1 4.45Å
679	W	95.6	Very high	79.4	Confident	8 Å²	8	66.1 Å²	66.1	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.5	168.7	-47.2	88.5	0	0	0	109.2	L647 V650 R666 I667 S669 V677 W696 I697 F698	L647-W679 HydrophobicContact CB-CD2 4.12Å; L647-W679 HydrophobicContact CB-CE3 3.95Å; L647-W679 HydrophobicContact CB-CH2 3.79Å; L647-W679 HydrophobicContact CB-CZ2 3.97Å; L647-W679 HydrophobicContact CB-CZ3 3.79Å; L647-W679 HydrophobicContact CD1-CB 4.23Å; L647-W679 HydrophobicContact CD1-CD2 3.85Å; L647-W679 HydrophobicContact CD1-CE3 4.06Å; L647-W679 HydrophobicContact CD1-CG 3.93Å; L647-W679 HydrophobicContact CD2-CE3 3.94Å; L647-W679 HydrophobicContact CD2-CZ3 4.17Å; L647-W679 HydrophobicContact CG-CD2 4.41Å; L647-W679 HydrophobicContact CG-CE3 4.21Å; L647-W679 HydrophobicContact CG-CZ3 4.44Å; V650-W679 HydrophobicContact CB-CH2 3.86Å; V650-W679 HydrophobicContact CB-CZ2 4.21Å; V650-W679 HydrophobicContact CG2-CH2 3.51Å; V650-W679 HydrophobicContact CG2-CZ2 4.33Å; V650-W679 HydrophobicContact CG2-CZ3 3.99Å; R666-W679 CarbonylContact C-O 3.57Å; R666-W679 WeakPolarHBondContact CA-O 3.48Å; R666-W679 WeakPolarHBondContact CB-O 3.49Å; I667-W679 HydrophobicContact CB-CB 4.33Å; I667-W679 PolarHBondContact N-O 3.38Å; I667-W679 PolarHBondContact O-N 3.2Å; S669-W679 PolarHBondContact OG-NE1 2.93Å; V677-W679 HydrophobicContact CG1-CD2 4.15Å; V677-W679 HydrophobicContact CG1-CH2 4.48Å; V677-W679 HydrophobicContact CG1-CZ2 3.76Å; W679-W696 HydrophobicContact CB-CE3 4.36Å; W679-I697 CarbonylContact C-O 3.59Å; W679-I697 VanDerWaalsContact CA-O 3.23Å; W679-I697 WeakPolarHBondContact CA-O 3.45Å; W679-F698 HydrophobicContact CE3-CB 4Å; W679-F698 HydrophobicContact CZ3-CB 3.86Å
680	K	93.6	Very high	76.6	Confident	76 Å²	76	70.9 Å²	70.9	33%	0.33	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.8	-177.3	179	172.5	178.2	179.7	0	111.9	R666 W696 I697 E699	R666-K680 HydrophobicContact CG-CB 4.48Å; K680-W696 WeakPolarHBondContact O-CA 3.4Å; K680-I697 HydrophobicContact CB-CG1 4.48Å; K680-I697 PolarHBondContact N-O 3.43Å; K680-I697 PolarHBondContact O-N 3Å; K680-E699 HydrophobicContact CB-CB 4.02Å; K680-E699 HydrophobicContact CB-CG 4.46Å
681	E	91	Very high	73.7	Confident	34 Å²	34	81.4 Å²	81.4	16%	0.159	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.6	171.1	-166.4	171.6	-142	0	0	111.3	K598 S665 S694 W696	K598-E681 IonicContact NZ-OE1 3.82Å; K598-E681 IonicContact NZ-OE2 2.72Å; K598-E681 PolarHBondContact NZ-OE2 3.32Å; S665-E681 PolarHBondContact O-N 3.39Å; E681-S694 WeakPolarHBondContact OE1-CB 3.43Å; E681-S694 PolarHBondContact OE1-OG 3.04Å; E681-W696 HydrophobicContact CB-CD2 4.12Å; E681-W696 HydrophobicContact CB-CE3 4.27Å; E681-W696 HydrophobicContact CB-CH2 3.93Å; E681-W696 HydrophobicContact CB-CZ2 3.75Å; E681-W696 HydrophobicContact CB-CZ3 4.17Å; E681-W696 HydrophobicContact CG-CZ2 4.02Å
682	T	85.8	Confident	70.8	Confident	42 Å²	42	84.9 Å²	84.9	26%	0.258	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.2	173.2	53.9	0	0	0	0	110.8	K695 I697	T682-K695 PolarHBondContact N-O 3.43Å; T682-K695 PolarHBondContact O-N 3.19Å; T682-K695 PolarHBondContact OG1-O 2.99Å; T682-I697 HydrophobicContact CG2-CD1 3.65Å; T682-I697 HydrophobicContact CG2-CG1 3.88Å; T682-I697 HydrophobicContact CG2-CG2 4.33Å
683	N	69.2	Low	69.1	Low	107 Å²	107	89.7 Å²	89.7	57%	0.572	43%	0.43	S	S	*	.			trans	-86.6	120.4	172.3	-70.3	-20.3	0	0	0	109.4	E685	N683-E685 VanDerWaalsContact C-N 3.28Å; N683-E685 PolarHBondContact O-N 3.41Å
684	N	55.5	Low	67.9	Low	102 Å²	102	89.4 Å²	89.4	55%	0.545	43%	0.432	S	S	.	.			trans	-80.7	72.3	175.5	-84.5	-42.6	0	0	0	111	Q686 R687	N684-Q686 PolarHBondContact O-N 3.37Å; N684-R687 PolarHBondContact O-N 3.21Å
685	E	50.8	Low	67.4	Low	162 Å²	162	95 Å²	95	76%	0.757	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.7	-177.1	-61.6	-174.4	156	0	0	114.1	N683 R687	N683-E685 VanDerWaalsContact C-N 3.28Å; N683-E685 PolarHBondContact O-N 3.41Å; E685-R687 VanDerWaalsContact C-N 3.32Å; E685-R687 PolarHBondContact O-N 3.48Å
686	Q	46.8	Very low	67.3	Low	195 Å²	195	94.9 Å²	94.9	91%	0.911	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	6.3	-176.1	-60.7	-170.1	-3.5	0	0	115.2	N684	N684-Q686 PolarHBondContact O-N 3.37Å
687	R	42.2	Very low	67.1	Low	181 Å²	181	98.2 Å²	98.2	68%	0.683	47%	0.472	S	S	*	.			trans	-129.7	58.4	179.2	-73.8	-169.8	170.9	-172.1	-3	114.5	N684 E685 Q689 V690	N684-R687 PolarHBondContact O-N 3.21Å; E685-R687 VanDerWaalsContact C-N 3.32Å; E685-R687 PolarHBondContact O-N 3.48Å; R687-Q689 PolarHBondContact O-N 2.74Å; R687-V690 PolarHBondContact O-N 3.09Å
688	K	40.7	Very low	66.9	Low	204 Å²	204	102.7 Å²	102.7	89%	0.887	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	2	179.9	-69.7	-170.7	174.6	-176.6	0	117.6
689	Q	42	Very low	66.7	Low	194 Å²	194	105.7 Å²	105.7	91%	0.907	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-1	-176.9	-76.4	-175.6	-19.6	0	0	115.4	R687	R687-Q689 PolarHBondContact O-N 2.74Å
690	V	39.4	Very low	66.6	Low	101 Å²	101	109.2 Å²	109.2	61%	0.612	52%	0.521	S	S	*	.	S	Bend	trans	-120.9	134.7	177.1	-177.6	0	0	0	0	109.3	R687 C692	R687-V690 PolarHBondContact O-N 3.09Å; V690-C692 PolarHBondContact O-N 2.64Å
691	K	35.5	Very low	66.6	Low	220 Å²	220	108.5 Å²	108.5	96%	0.957	52%	0.518	S	S	*	.			trans	-67.2	77.8	169.1	-76.9	-171.3	174.8	-176.4	0	110.2
692	C	34.2	Very low	66.7	Low	74 Å²	74	106.9 Å²	106.9	50%	0.5	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-93.9	125.8	175.2	-163.1	0	0	0	0	108.9	V690	V690-C692 PolarHBondContact O-N 2.64Å
693	Q	57.3	Low	67	Low	107 Å²	107	111.3 Å²	111.3	50%	0.5	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-70.2	147.4	176.4	-66.7	167	-30.8	0	0	110.2	K695	Q693-K695 PolarHBondContact O-N 3.18Å
694	S	68.8	Low	68	Low	50 Å²	50	107.1 Å²	107.1	35%	0.35	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-57.2	128.4	172.3	-47.5	0	0	0	0	110	E681	E681-S694 WeakPolarHBondContact OE1-CB 3.43Å; E681-S694 PolarHBondContact OE1-OG 3.04Å
695	K	84.1	Confident	69.6	Low	121 Å²	121	112.9 Å²	112.9	53%	0.526	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.1	176.4	-177.4	176.2	179.2	-179.1	0	109.6	T682 Q693	T682-K695 PolarHBondContact N-O 3.43Å; T682-K695 PolarHBondContact O-N 3.19Å; T682-K695 PolarHBondContact OG1-O 2.99Å; Q693-K695 PolarHBondContact O-N 3.18Å
696	W	91.2	Very high	71.4	Confident	7 Å²	7	108.9 Å²	108.9	3%	0.027	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.6	173.1	-69.9	73.5	0	0	0	110.2	L621 L633 Q645 L647 F660 G664 I667 W679 K680 E681	L621-W696 HydrophobicContact CD2-CZ2 3.83Å; L633-W696 HydrophobicContact CD1-CB 3.84Å; L633-W696 HydrophobicContact CD1-CD2 3.84Å; L633-W696 HydrophobicContact CD1-CG 3.36Å; Q645-W696 PolarHBondContact NE2-O 2.92Å; L647-W696 HydrophobicContact CD1-CB 4.34Å; L647-W696 HydrophobicContact CD2-CB 3.99Å; F660-W696 HydrophobicContact CD1-CH2 4.35Å; F660-W696 AromaticContact CE1-CH2 3.86Å; F660-W696 HydrophobicContact CE1-CH2 3.86Å; F660-W696 HydrophobicContact CE1-CZ2 4.28Å; G664-W696 WeakPolarHBondContact O-CH2 3.36Å; I667-W696 HydrophobicContact CB-CZ3 4.28Å; I667-W696 HydrophobicContact CD1-CD2 4.36Å; I667-W696 HydrophobicContact CD1-CE3 3.86Å; I667-W696 HydrophobicContact CD1-CH2 3.96Å; I667-W696 HydrophobicContact CD1-CZ2 4.44Å; I667-W696 HydrophobicContact CD1-CZ3 3.65Å; I667-W696 HydrophobicContact CG1-CE3 4.25Å; I667-W696 HydrophobicContact CG1-CH2 3.94Å; I667-W696 HydrophobicContact CG1-CZ3 3.6Å; W679-W696 HydrophobicContact CB-CE3 4.36Å; K680-W696 WeakPolarHBondContact O-CA 3.4Å; E681-W696 HydrophobicContact CB-CD2 4.12Å; E681-W696 HydrophobicContact CB-CE3 4.27Å; E681-W696 HydrophobicContact CB-CH2 3.93Å; E681-W696 HydrophobicContact CB-CZ2 3.75Å; E681-W696 HydrophobicContact CB-CZ3 4.17Å; E681-W696 HydrophobicContact CG-CZ2 4.02Å
697	I	92.2	Very high	73.5	Confident	71 Å²	71	99.7 Å²	99.7	36%	0.364	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154	179.1	64.4	169.5	0	0	0	110.7	W679 K680 T682	W679-I697 CarbonylContact C-O 3.59Å; W679-I697 VanDerWaalsContact CA-O 3.23Å; W679-I697 WeakPolarHBondContact CA-O 3.45Å; K680-I697 HydrophobicContact CB-CG1 4.48Å; K680-I697 PolarHBondContact N-O 3.43Å; K680-I697 PolarHBondContact O-N 3Å; T682-I697 HydrophobicContact CG2-CD1 3.65Å; T682-I697 HydrophobicContact CG2-CG1 3.88Å; T682-I697 HydrophobicContact CG2-CG2 4.33Å
698	F	94	Very high	75.7	Confident	94 Å²	94	97.5 Å²	97.5	41%	0.412	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.4	163	166.1	-104.6	0	0	0	109.3	V650 V677 W679 K700 K701	V650-F698 HydrophobicContact CB-CD2 4.41Å; V650-F698 HydrophobicContact CG1-CD2 3.65Å; V650-F698 HydrophobicContact CG1-CE2 3.58Å; V650-F698 HydrophobicContact CG1-CZ 4.44Å; V650-F698 HydrophobicContact CG2-CB 4.23Å; V650-F698 HydrophobicContact CG2-CD2 3.91Å; V650-F698 HydrophobicContact CG2-CG 4.1Å; V677-F698 HydrophobicContact CG1-CD2 3.82Å; V677-F698 HydrophobicContact CG1-CE2 4.03Å; W679-F698 HydrophobicContact CE3-CB 4Å; W679-F698 HydrophobicContact CZ3-CB 3.86Å; F698-K700 WeakPolarHBondContact CE2-O 2.97Å; F698-K701 HydrophobicContact CE2-CG 3.76Å; F698-K701 HydrophobicContact CZ-CG 3.84Å
699	E	91.8	Very high	78	Confident	70 Å²	70	94.5 Å²	94.5	33%	0.327	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-51	176.5	-174.4	179	-156.4	0	0	111.9	R666 I678 K680	R666-E699 IonicContact CZ-OE1 3.2Å; R666-E699 IonicContact CZ-OE2 3.08Å; R666-E699 IonicContact NH1-OE1 3.39Å; R666-E699 PolarHBondContact NH1-OE1 3.05Å; R666-E699 IonicContact NH1-OE2 2.78Å; R666-E699 PolarHBondContact NH1-OE2 3.12Å; I678-E699 HydrophobicContact CG2-CB 4.34Å; I678-E699 WeakPolarHBondContact CG2-OE2 3.17Å; I678-E699 PolarHBondContact O-N 3.1Å; K680-E699 HydrophobicContact CB-CB 4.02Å; K680-E699 HydrophobicContact CB-CG 4.46Å
700	K	93.2	Very high	80.3	Confident	82 Å²	82	86.7 Å²	86.7	36%	0.357	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	143	-170	-165.7	-179.7	-177	-171.4	0	112.1	I678 F698 N741	I678-K700 HydrophobicContact CB-CB 4.39Å; I678-K700 HydrophobicContact CD1-CB 4.39Å; I678-K700 PolarHBondContact N-O 2.84Å; I678-K700 PolarHBondContact O-N 3.47Å; F698-K700 WeakPolarHBondContact CE2-O 2.97Å; K700-N741 WeakPolarHBondContact CE-ND2 3.48Å; K700-N741 VanDerWaalsContact NZ-CG 3.27Å; K700-N741 PolarHBondContact NZ-ND2 3.35Å; K700-N741 PolarHBondContact NZ-OD1 2.9Å
701	K	93.9	Very high	82.8	Confident	61 Å²	61	84.8 Å²	84.8	27%	0.265	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.1	159.7	-73	-164.1	170.5	-157.2	0	109.7	V650 L675 F698 E703	V650-K701 HydrophobicContact CG1-CD 4.44Å; V650-K701 VanDerWaalsContact CG1-CE 3.48Å; V650-K701 HydrophobicContact CG1-CG 4.14Å; V650-K701 WeakPolarHBondContact O-CE 3.44Å; V650-K701 PolarHBondContact O-NZ 3.19Å; L675-K701 HydrophobicContact CD1-CB 4Å; L675-K701 HydrophobicContact CD1-CD 3.76Å; L675-K701 HydrophobicContact CD1-CG 3.99Å; L675-K701 HydrophobicContact CD2-CD 4.21Å; F698-K701 HydrophobicContact CE2-CG 3.76Å; F698-K701 HydrophobicContact CZ-CG 3.84Å; K701-E703 WeakPolarHBondContact CD-OE1 3.29Å; K701-E703 IonicContact NZ-OE1 2.84Å
702	I	93.1	Very high	85.7	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.3	166.8	-58.6	-166.4	0	0	0	106.9	I676 I678 V704 L736 L738 N741	I676-I702 HydrophobicContact CB-CB 4.14Å; I676-I702 HydrophobicContact CG2-CB 4.46Å; I676-I702 PolarHBondContact N-O 3.17Å; I676-I702 VanDerWaalsContact N-O 3.16Å; I676-I702 PolarHBondContact O-N 2.93Å; I678-I702 HydrophobicContact CD1-CD1 3.86Å; I678-I702 HydrophobicContact CD1-CG1 4.27Å; I678-I702 HydrophobicContact CG1-CD1 4.45Å; I702-V704 HydrophobicContact CG2-CG2 3.75Å; I702-L736 HydrophobicContact CD1-CD2 4.25Å; I702-L736 HydrophobicContact CG2-CD2 4.07Å; I702-L738 HydrophobicContact CD1-CD2 3.85Å; I702-N741 WeakPolarHBondContact CD1-OD1 3.05Å
703	E	91.1	Very high	88.5	Confident	134 Å²	134	70.8 Å²	70.8	63%	0.626	33%	0.33	S	S	*	.			trans	-116.4	114.6	176.5	-69.1	165.2	-173.4	0	0	105.9	L675 K701	L675-E703 HydrophobicContact CD1-CG 3.63Å; K701-E703 WeakPolarHBondContact CD-OE1 3.29Å; K701-E703 IonicContact NZ-OE1 2.84Å
704	V	91.3	Very high	90.3	Very high	19 Å²	19	67 Å²	67	12%	0.115	31%	0.312	C	S	.	.			trans	-124.2	128.9	-179	-175.9	0	0	0	0	107.3	I702 E706 L707 E708 L736 N741 I743	I702-V704 HydrophobicContact CG2-CG2 3.75Å; V704-E706 HydrophobicContact CG1-CB 4.49Å; V704-E706 PolarHBondContact O-N 2.97Å; V704-E706 VanDerWaalsContact O-N 3.15Å; V704-L707 HydrophobicContact CB-CD1 4.2Å; V704-L707 HydrophobicContact CB-CG 4.24Å; V704-L707 PolarHBondContact O-N 2.85Å; V704-E708 PolarHBondContact O-N 3.04Å; V704-L736 HydrophobicContact CG2-CD1 4.27Å; V704-N741 WeakPolarHBondContact CG2-O 3.43Å; V704-I743 HydrophobicContact CG1-CD1 3.74Å; V704-I743 HydrophobicContact CG1-CG1 4.4Å
705	R	89.1	Confident	91.7	Very high	224 Å²	224	64.7 Å²	64.7	85%	0.845	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-56	-35	-173.8	-67.7	-178.8	177.9	178.3	-2.1	113.7	L707 E708	R705-L707 PolarHBondContact O-N 3.26Å; R705-E708 WeakPolarHBondContact O-CB 3.41Å; R705-E708 PolarHBondContact O-N 2.87Å
706	E	88.5	Confident	92.2	Very high	78 Å²	78	60.8 Å²	60.8	36%	0.364	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-74.3	-3.2	177.7	-60.1	172.7	-129.9	0	0	114.3	V704 I743 R746	V704-E706 HydrophobicContact CG1-CB 4.49Å; V704-E706 PolarHBondContact O-N 2.97Å; V704-E706 VanDerWaalsContact O-N 3.15Å; E706-I743 HydrophobicContact CB-CD1 3.61Å; E706-I743 HydrophobicContact CG-CD1 4.23Å; E706-I743 WeakPolarHBondContact OE2-CD1 3.39Å; E706-R746 IonicContact OE1-CZ 3.64Å; E706-R746 IonicContact OE1-NH2 3.28Å; E706-R746 PolarHBondContact OE1-NH2 2.9Å; E706-R746 IonicContact OE2-CZ 2.75Å; E706-R746 IonicContact OE2-NE 2.82Å; E706-R746 PolarHBondContact OE2-NE 2.83Å; E706-R746 IonicContact OE2-NH2 2.73Å; E706-R746 PolarHBondContact OE2-NH2 2.9Å
707	L	90.9	Very high	92.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-110.7	-9.4	170.7	-56.3	178.4	0	0	0	111.4	G674 I676 V704 R705 M709 C710 V726 T728 K734	G674-L707 VanDerWaalsContact CA-O 3.23Å; G674-L707 WeakPolarHBondContact CA-O 3.22Å; I676-L707 HydrophobicContact CD1-CD1 3.94Å; V704-L707 HydrophobicContact CB-CD1 4.2Å; V704-L707 HydrophobicContact CB-CG 4.24Å; V704-L707 PolarHBondContact O-N 2.85Å; R705-L707 PolarHBondContact O-N 3.26Å; L707-M709 PolarHBondContact O-N 3.02Å; L707-C710 VanDerWaalsContact O-CB 3.29Å; L707-C710 WeakPolarHBondContact O-CB 3.44Å; L707-C710 PolarHBondContact O-N 2.88Å; L707-V726 HydrophobicContact CD1-CG1 4.33Å; L707-V726 HydrophobicContact CD2-CG1 4.06Å; L707-T728 HydrophobicContact CD2-CG2 3.76Å; L707-K734 HydrophobicContact CD2-CD 4.25Å
708	E	87.5	Confident	92.4	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	121.6	-171.9	-168.4	172.1	168.7	0	0	110.8	V704 R705 C710	V704-E708 PolarHBondContact O-N 3.04Å; R705-E708 WeakPolarHBondContact O-CB 3.41Å; R705-E708 PolarHBondContact O-N 2.87Å; E708-C710 PolarHBondContact O-N 3.26Å
709	M	88.5	Confident	92.1	Very high	140 Å²	140	55.7 Å²	55.7	69%	0.69	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	2.1	-171.4	-52.1	-66.1	-69.6	0	0	115.6	L673 L707	L673-M709 HydrophobicContact CD2-CE 4.01Å; L673-M709 HydrophobicContact CD2-SD 3.85Å; L673-M709 PolarHBondContact O-N 3.49Å; L707-M709 PolarHBondContact O-N 3.02Å
710	C	90.1	Very high	91.7	Very high	31 Å²	31	57.1 Å²	57.1	21%	0.209	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-81.9	125.2	173.6	-58.8	0	0	0	0	110.9	G674 L707 E708 I712 T728	G674-C710 WeakPolarHBondContact CA-O 3.38Å; G674-C710 PolarHBondContact N-O 2.72Å; L707-C710 VanDerWaalsContact O-CB 3.29Å; L707-C710 WeakPolarHBondContact O-CB 3.44Å; L707-C710 PolarHBondContact O-N 2.88Å; E708-C710 PolarHBondContact O-N 3.26Å; C710-I712 PolarHBondContact O-N 3.35Å; C710-I712 VanDerWaalsContact O-N 3.16Å; C710-T728 HydrophobicContact CB-CG2 3.78Å
711	I	92.7	Very high	91.5	Very high	60 Å²	60	57 Å²	57	31%	0.308	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-67.8	116	175.6	-62.2	170.5	0	0	0	109.2	N656 A672 T728 R729	N656-I711 WeakPolarHBondContact ND2-CG2 3.29Å; A672-I711 HydrophobicContact CB-CG1 4.36Å; A672-I711 HydrophobicContact CB-CG2 4.26Å; A672-I711 WeakPolarHBondContact O-CG1 3.4Å; I711-T728 WeakPolarHBondContact O-CA 3.41Å; I711-R729 HydrophobicContact CB-CB 4.28Å; I711-R729 HydrophobicContact CB-CG 4.03Å; I711-R729 HydrophobicContact CG2-CG 4.19Å; I711-R729 PolarHBondContact O-N 3.32Å
712	I	95.3	Very high	91.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123	168.6	-60.5	172.6	0	0	0	108.3	N656 I676 C710 L715 V726 T728	N656-I712 WeakPolarHBondContact CB-O 3.47Å; N656-I712 PolarHBondContact ND2-O 2.94Å; I676-I712 HydrophobicContact CD1-CD1 4.08Å; I676-I712 HydrophobicContact CG1-CD1 3.58Å; C710-I712 PolarHBondContact O-N 3.35Å; C710-I712 VanDerWaalsContact O-N 3.16Å; I712-L715 HydrophobicContact CG2-CD2 3.88Å; I712-L715 HydrophobicContact CG2-CG 4.01Å; I712-V726 HydrophobicContact CD1-CG1 4.17Å; I712-V726 HydrophobicContact CG1-CG1 4.02Å; I712-V726 HydrophobicContact CG2-CG1 4.19Å; I712-T728 HydrophobicContact CG1-CG2 4.11Å
713	N	94.1	Very high	91.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-44.2	172.6	-84.8	-26.4	0	0	0	111.5	H727 R729 N752 E755 L756	N713-H727 PolarHBondContact N-O 3.28Å; N713-R729 VanDerWaalsContact ND2-CG 3.26Å; N713-R729 WeakPolarHBondContact ND2-CG 3.33Å; N713-R729 PolarHBondContact OD1-NE 2.89Å; N713-R729 PolarHBondContact OD1-NH2 3.4Å; N713-N752 PolarHBondContact ND2-ND2 2.88Å; N713-N752 PolarHBondContact ND2-OD1 3.35Å; N713-N752 VanDerWaalsContact ND2-OD1 3.09Å; N713-E755 PolarHBondContact ND2-O 2.94Å; N713-L756 HydrophobicContact CB-CD1 4.08Å; N713-L756 WeakPolarHBondContact OD1-CD1 3.49Å
714	H	95.3	Very high	91.6	Very high	27 Å²	27	52.1 Å²	52.1	13%	0.125	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142	-175	-152.1	-127.2	0	0	0	113.3	H727 R758 S759	H714-H727 HydrophobicContact CB-CB 3.93Å; H714-H727 PolarHBondContact N-O 2.88Å; H714-H727 PolarHBondContact O-N 2.97Å; H714-R758 PolarHBondContact CD2-NH1 2.83Å; H714-R758 PolarHBondContact NE2-NH1 3.19Å; H714-S759 PolarHBondContact CE1-O 2.86Å; H714-S759 PolarHBondContact ND1-O 2.91Å
715	L	97	Very high	91.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.6	168.4	-67.6	-175.9	0	0	0	110	S657 T659 G670 I676 I712 L724 L725 V726	S657-L715 PolarHBondContact OG-N 2.83Å; T659-L715 HydrophobicContact CG2-CB 4.09Å; G670-L715 VanDerWaalsContact N-CD1 3.35Å; I676-L715 HydrophobicContact CD1-CD2 4.05Å; I676-L715 HydrophobicContact CG1-CD2 4.47Å; I712-L715 HydrophobicContact CG2-CD2 3.88Å; I712-L715 HydrophobicContact CG2-CG 4.01Å; L715-L724 HydrophobicContact CB-CD1 4.42Å; L715-L724 HydrophobicContact CD1-CD2 4.48Å; L715-L724 HydrophobicContact CD2-CD2 4.06Å; L715-L724 HydrophobicContact CD2-CG 4.32Å; L715-L725 WeakPolarHBondContact CA-O 3.29Å; L715-V726 HydrophobicContact CD2-CB 4.19Å; L715-V726 HydrophobicContact CD2-CG1 3.94Å; L715-V726 HydrophobicContact CD2-CG2 3.9Å
716	E	95.6	Very high	92.2	Very high	39 Å²	39	40.7 Å²	40.7	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	124	176.4	-172.1	-179.3	177.7	0	0	110.3	L725 C760 I761	E716-L725 HydrophobicContact CB-CB 4.21Å; E716-L725 HydrophobicContact CB-CD2 4.19Å; E716-L725 PolarHBondContact N-O 3.15Å; E716-L725 PolarHBondContact O-N 3.31Å; E716-C760 WeakPolarHBondContact OE2-CA 3.47Å; E716-I761 HydrophobicContact CB-CD1 4.36Å; E716-I761 VanDerWaalsContact CD-N 3.3Å; E716-I761 HydrophobicContact CG-CD1 4.05Å; E716-I761 HydrophobicContact CG-CG1 4.28Å; E716-I761 PolarHBondContact OE1-N 2.87Å; E716-I761 PolarHBondContact OE2-N 2.96Å
717	F	94.9	Very high	92.5	Very high	24 Å²	24	37 Å²	37	11%	0.105	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.6	178	-167	-77.5	0	0	0	109.9	T659 F660 D661 T662 Y668 L724 L738	T659-F717 HydrophobicContact CG2-CB 4.25Å; F660-F717 WeakPolarHBondContact O-CB 3.28Å; D661-F717 HydrophobicContact CB-CD1 4.47Å; D661-F717 HydrophobicContact CB-CD2 3.96Å; D661-F717 HydrophobicContact CB-CE1 4.29Å; D661-F717 HydrophobicContact CB-CE2 3.7Å; D661-F717 HydrophobicContact CB-CG 4.35Å; D661-F717 HydrophobicContact CB-CZ 3.89Å; T662-F717 HydrophobicContact CG2-CD1 3.75Å; T662-F717 HydrophobicContact CG2-CE1 3.79Å; Y668-F717 AromaticContact CD2-CD2 3.95Å; Y668-F717 HydrophobicContact CD2-CD2 3.95Å; Y668-F717 AromaticContact CE2-CD2 3.53Å; Y668-F717 HydrophobicContact CE2-CD2 3.53Å; Y668-F717 AromaticContact CE2-CE2 3.7Å; Y668-F717 HydrophobicContact CE2-CE2 3.7Å; Y668-F717 AromaticContact CZ-CD2 3.99Å; Y668-F717 AromaticContact CZ-CE2 3.77Å; F717-L724 HydrophobicContact CB-CD1 4.44Å; F717-L738 HydrophobicContact CD2-CD1 3.93Å; F717-L738 HydrophobicContact CE2-CD1 3.41Å; F717-L738 VanDerWaalsContact CE2-CD1 3.41Å; F717-L738 HydrophobicContact CZ-CD1 4.27Å
718	H	93.6	Very high	92.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	19%	0.194	C	C	.	.			trans	-68.8	134.8	-175.4	178.5	-81.7	0	0	0	111.9	T720 L721 L723 I761 G765	H718-T720 VanDerWaalsContact C-N 3.26Å; H718-T720 PolarHBondContact CE1-OG1 2.83Å; H718-T720 VanDerWaalsContact CE1-OG1 3.22Å; H718-T720 PolarHBondContact ND1-N 3.13Å; H718-T720 PolarHBondContact O-N 3.02Å; H718-L721 PolarHBondContact CE1-N 3.46Å; H718-L721 WeakPolarHBondContact ND1-CB 3.26Å; H718-L721 PolarHBondContact ND1-N 3.18Å; H718-L721 PolarHBondContact ND1-O 2.84Å; H718-L723 HydrophobicContact CB-CB 3.92Å; H718-L723 VanDerWaalsContact CB-O 3.25Å; H718-L723 WeakPolarHBondContact CB-O 3.43Å; H718-L723 PolarHBondContact N-O 2.84Å; H718-I761 HydrophobicContact CB-CD1 4.11Å; H718-G765 WeakPolarHBondContact NE2-CA 3.28Å; H718-G765 PolarHBondContact NE2-O 3.18Å
719	P	87.1	Confident	92.7	Very high	40 Å²	40	33.8 Å²	33.8	26%	0.26	18%	0.176	S	C	.	.	S	Bend	trans	-68.5	-13.7	-162.9	24.5	-35.4	0	0	0	116.3
720	T	82.6	Confident	92.8	Very high	99 Å²	99	29.7 Å²	29.7	61%	0.607	16%	0.157	S	C	*	.	S	Bend	trans	-133.4	-56	-177.3	57.7	0	0	0	0	113.4	H718	H718-T720 VanDerWaalsContact C-N 3.26Å; H718-T720 PolarHBondContact CE1-OG1 2.83Å; H718-T720 VanDerWaalsContact CE1-OG1 3.22Å; H718-T720 PolarHBondContact ND1-N 3.13Å; H718-T720 PolarHBondContact O-N 3.02Å
721	L	88.4	Confident	92.9	Very high	81 Å²	81	30.3 Å²	30.3	42%	0.424	16%	0.158	S	C	.	.	S	Bend	trans	-74.3	153.9	173.8	-52.4	174.2	0	0	0	112.4	H718 L723	H718-L721 PolarHBondContact CE1-N 3.46Å; H718-L721 WeakPolarHBondContact ND1-CB 3.26Å; H718-L721 PolarHBondContact ND1-N 3.18Å; H718-L721 PolarHBondContact ND1-O 2.84Å; L721-L723 HydrophobicContact CB-CD1 4Å; L721-L723 HydrophobicContact CB-CG 3.87Å; L721-L723 HydrophobicContact CD1-CD1 3.84Å; L721-L723 PolarHBondContact O-N 2.94Å
722	N	90.8	Very high	92.8	Very high	67 Å²	67	27.8 Å²	27.8	36%	0.358	15%	0.146	S	C	.	.	S	Bend	trans	-78.8	53.2	178.4	-175	67.8	0	0	0	112.6	L738 R739	N722-L738 PolarHBondContact O-N 2.76Å; N722-R739 PolarHBondContact ND2-N 2.8Å
723	L	94.1	Very high	92.7	Very high	24 Å²	24	27.8 Å²	27.8	13%	0.126	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152	-176.8	-52.6	177.1	0	0	0	110.6	H718 L721 M735 L736 D737	H718-L723 HydrophobicContact CB-CB 3.92Å; H718-L723 VanDerWaalsContact CB-O 3.25Å; H718-L723 WeakPolarHBondContact CB-O 3.43Å; H718-L723 PolarHBondContact N-O 2.84Å; L721-L723 HydrophobicContact CB-CD1 4Å; L721-L723 HydrophobicContact CB-CG 3.87Å; L721-L723 HydrophobicContact CD1-CD1 3.84Å; L721-L723 PolarHBondContact O-N 2.94Å; L723-M735 HydrophobicContact CB-CG 3.86Å; L723-M735 HydrophobicContact CB-SD 3.62Å; L723-M735 HydrophobicContact CD1-CG 3.84Å; L723-M735 HydrophobicContact CD1-SD 4.37Å; L723-M735 HydrophobicContact CG-CG 4.33Å; L723-L736 CarbonylContact C-O 3.4Å; L723-L736 WeakPolarHBondContact CA-O 3.47Å; L723-D737 HydrophobicContact CD2-CB 3.78Å
724	L	96	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.2	175.4	-173.4	69.5	0	0	0	109.4	T659 Y668 I676 L715 F717 V726 M735 L736 L738	T659-L724 HydrophobicContact CG2-CD1 3.87Å; Y668-L724 HydrophobicContact CD1-CD2 4.05Å; Y668-L724 HydrophobicContact CG-CD1 4.29Å; Y668-L724 HydrophobicContact CG-CD2 4.36Å; I676-L724 HydrophobicContact CD1-CD2 4.22Å; I676-L724 HydrophobicContact CG2-CD2 4.05Å; L715-L724 HydrophobicContact CB-CD1 4.42Å; L715-L724 HydrophobicContact CD1-CD2 4.48Å; L715-L724 HydrophobicContact CD2-CD2 4.06Å; L715-L724 HydrophobicContact CD2-CG 4.32Å; F717-L724 HydrophobicContact CB-CD1 4.44Å; L724-V726 HydrophobicContact CG-CG2 4.5Å; L724-M735 VanDerWaalsContact C-SD 3.58Å; L724-L736 HydrophobicContact CB-CB 4.42Å; L724-L736 HydrophobicContact CD2-CD2 4.28Å; L724-L736 PolarHBondContact N-O 3.19Å; L724-L736 WeakPolarHBondContact O-CB 3.37Å; L724-L736 PolarHBondContact O-N 3.03Å; L724-L738 HydrophobicContact CB-CD1 4.05Å; L724-L738 HydrophobicContact CB-CD2 3.87Å; L724-L738 HydrophobicContact CB-CG 4Å; L724-L738 HydrophobicContact CD2-CD2 4.13Å
725	L	96.8	Very high	92.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132	167.9	175	67.9	0	0	0	109	L715 E716 P733 M735 I761 L768	L715-L725 WeakPolarHBondContact CA-O 3.29Å; E716-L725 HydrophobicContact CB-CB 4.21Å; E716-L725 HydrophobicContact CB-CD2 4.19Å; E716-L725 PolarHBondContact N-O 3.15Å; E716-L725 PolarHBondContact O-N 3.31Å; L725-P733 HydrophobicContact CD1-CB 4.45Å; L725-M735 HydrophobicContact CB-CE 3.92Å; L725-M735 HydrophobicContact CB-SD 4.3Å; L725-M735 HydrophobicContact CD1-CE 4Å; L725-I761 HydrophobicContact CB-CD1 3.98Å; L725-I761 HydrophobicContact CB-CG1 4.41Å; L725-I761 HydrophobicContact CD2-CD1 4.36Å; L725-I761 HydrophobicContact CD2-CG1 3.91Å; L725-L768 HydrophobicContact CD1-CD1 3.77Å; L725-L768 HydrophobicContact CD1-CD2 3.92Å; L725-L768 HydrophobicContact CD2-CD1 3.45Å; L725-L768 VanDerWaalsContact CD2-CD1 3.45Å; L725-L768 HydrophobicContact CG-CD1 4.27Å
726	V	96.4	Very high	92.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113	175.4	-168.7	0	0	0	0	108.1	I676 L707 I712 L715 L724 T728 K734 L736	I676-V726 HydrophobicContact CD1-CG1 4.23Å; I676-V726 HydrophobicContact CD1-CG2 3.72Å; L707-V726 HydrophobicContact CD1-CG1 4.33Å; L707-V726 HydrophobicContact CD2-CG1 4.06Å; I712-V726 HydrophobicContact CD1-CG1 4.17Å; I712-V726 HydrophobicContact CG1-CG1 4.02Å; I712-V726 HydrophobicContact CG2-CG1 4.19Å; L715-V726 HydrophobicContact CD2-CB 4.19Å; L715-V726 HydrophobicContact CD2-CG1 3.94Å; L715-V726 HydrophobicContact CD2-CG2 3.9Å; L724-V726 HydrophobicContact CG-CG2 4.5Å; V726-T728 HydrophobicContact CG1-CG2 4.21Å; V726-K734 PolarHBondContact N-O 3.05Å; V726-K734 PolarHBondContact O-N 3.07Å; V726-L736 HydrophobicContact CG2-CB 4.2Å; V726-L736 HydrophobicContact CG2-CD2 4.5Å
727	H	94.7	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110.2	172.5	-167.2	161.7	0	0	0	109	N713 H714 N752 S759 S770	N713-H727 PolarHBondContact N-O 3.28Å; H714-H727 HydrophobicContact CB-CB 3.93Å; H714-H727 PolarHBondContact N-O 2.88Å; H714-H727 PolarHBondContact O-N 2.97Å; H727-N752 PolarHBondContact CD2-ND2 3.26Å; H727-N752 PolarHBondContact CE1-ND2 2.79Å; H727-N752 PolarHBondContact NE2-ND2 3.2Å; H727-S759 PolarHBondContact CE1-OG 2.81Å; H727-S759 PolarHBondContact ND1-OG 2.98Å; H727-S770 PolarHBondContact CE1-OG 2.73Å
728	T	93.2	Very high	92.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	156.8	177.3	36.2	0	0	0	0	112.9	L707 C710 I711 I712 V726 D730 C732 K734	L707-T728 HydrophobicContact CD2-CG2 3.76Å; C710-T728 HydrophobicContact CB-CG2 3.78Å; I711-T728 WeakPolarHBondContact O-CA 3.41Å; I712-T728 HydrophobicContact CG1-CG2 4.11Å; V726-T728 HydrophobicContact CG1-CG2 4.21Å; T728-D730 VanDerWaalsContact CB-OD1 3.23Å; T728-D730 WeakPolarHBondContact CB-OD1 3.43Å; T728-D730 PolarHBondContact O-N 3.24Å; T728-D730 PolarHBondContact OG1-OD1 3.17Å; T728-C732 PolarHBondContact OG1-O 3.14Å; T728-K734 PolarHBondContact OG1-NZ 2.86Å
729	R	90.6	Very high	92.2	Very high	71 Å²	71	35.7 Å²	35.7	27%	0.268	18%	0.176	S	C	.	.	S	Bend	trans	-79.7	52.6	174.2	-64.1	-170.3	179.7	-144.8	-14.5	113.5	I711 N713 N752 T754 E755	I711-R729 HydrophobicContact CB-CB 4.28Å; I711-R729 HydrophobicContact CB-CG 4.03Å; I711-R729 HydrophobicContact CG2-CG 4.19Å; I711-R729 PolarHBondContact O-N 3.32Å; N713-R729 VanDerWaalsContact ND2-CG 3.26Å; N713-R729 WeakPolarHBondContact ND2-CG 3.33Å; N713-R729 PolarHBondContact OD1-NE 2.89Å; N713-R729 PolarHBondContact OD1-NH2 3.4Å; R729-N752 CarbonylContact C-O 3.55Å; R729-N752 WeakPolarHBondContact CA-O 3.32Å; R729-T754 VanDerWaalsContact CZ-O 3.28Å; R729-T754 VanDerWaalsContact NH1-C 3.26Å; R729-T754 PolarHBondContact NH1-O 3.16Å; R729-T754 PolarHBondContact NH2-O 2.9Å; R729-E755 PolarHBondContact NH2-O 2.92Å
730	D	90.1	Very high	92.3	Very high	53 Å²	53	36.4 Å²	36.4	28%	0.283	18%	0.181	S	C	.	.	S	Bend	trans	-136.7	25	-179.8	71.6	-29.1	0	0	0	112	T728 C732 K734 N752	T728-D730 VanDerWaalsContact CB-OD1 3.23Å; T728-D730 WeakPolarHBondContact CB-OD1 3.43Å; T728-D730 PolarHBondContact O-N 3.24Å; T728-D730 PolarHBondContact OG1-OD1 3.17Å; D730-C732 PolarHBondContact O-N 3Å; D730-C732 VanDerWaalsContact O-N 3.14Å; D730-K734 IonicContact OD1-NZ 3.15Å; D730-K734 PolarHBondContact OD1-NZ 3.5Å; D730-K734 IonicContact OD2-NZ 2.73Å; D730-K734 PolarHBondContact OD2-NZ 2.94Å; D730-N752 PolarHBondContact N-O 3.15Å
731	N	90.8	Very high	92.7	Very high	45 Å²	45	33.1 Å²	33.1	24%	0.241	16%	0.16	C	C	.	.	S	Bend	trans	59.1	20.8	-179.4	-47.1	-79.8	0	0	0	114.6	A750 L751 N752 N753	N731-A750 CarbonylContact C-O 3.54Å; N731-A750 VanDerWaalsContact C-O 3.3Å; N731-A750 VanDerWaalsContact CA-O 3.24Å; N731-A750 WeakPolarHBondContact CA-O 3.4Å; N731-A750 VanDerWaalsContact O-O 3.11Å; N731-L751 HydrophobicContact CB-CD2 4.31Å; N731-L751 WeakPolarHBondContact OD1-CA 3.26Å; N731-L751 WeakPolarHBondContact OD1-CD2 3.23Å; N731-N752 PolarHBondContact N-O 2.84Å; N731-N752 PolarHBondContact OD1-N 3Å; N731-N753 PolarHBondContact ND2-OD1 2.89Å; N731-N753 PolarHBondContact OD1-ND2 2.88Å; N731-N753 PolarHBondContact OD1-OD1 3.04Å
732	C	90.8	Very high	92.8	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.047	17%	0.17	C	C	.	.			trans	-147	94.6	-176.7	-177.7	0	0	0	0	112	T728 D730 K734 H748	T728-C732 PolarHBondContact OG1-O 3.14Å; D730-C732 PolarHBondContact O-N 3Å; D730-C732 VanDerWaalsContact O-N 3.14Å; C732-K734 WeakPolarHBondContact O-CG 3.3Å; C732-K734 PolarHBondContact O-NZ 3.24Å; C732-H748 VanDerWaalsContact SG-CD2 3.52Å
733	P	93.8	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.			trans	-57.5	145.3	161.3	-22.4	33.3	0	0	0	111.6	L725 F747 L768	L725-P733 HydrophobicContact CD1-CB 4.45Å; P733-F747 HydrophobicContact CB-CB 4.37Å; P733-F747 HydrophobicContact CB-CD2 4.4Å; P733-F747 WeakPolarHBondContact CD-O 3.36Å; P733-F747 WeakPolarHBondContact O-CB 3.29Å; P733-F747 WeakPolarHBondContact O-CD2 3.5Å; P733-F747 PolarHBondContact O-N 2.89Å; P733-L768 HydrophobicContact CB-CD2 4.37Å
734	K	94.5	Very high	92.7	Very high	6 Å²	6	36 Å²	36	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	-174.2	-52	-175.8	-174.9	58	0	111.4	L707 V726 T728 D730 C732 I743 T745 R746	L707-K734 HydrophobicContact CD2-CD 4.25Å; V726-K734 PolarHBondContact N-O 3.05Å; V726-K734 PolarHBondContact O-N 3.07Å; T728-K734 PolarHBondContact OG1-NZ 2.86Å; D730-K734 IonicContact OD1-NZ 3.15Å; D730-K734 PolarHBondContact OD1-NZ 3.5Å; D730-K734 IonicContact OD2-NZ 2.73Å; D730-K734 PolarHBondContact OD2-NZ 2.94Å; C732-K734 WeakPolarHBondContact O-CG 3.3Å; C732-K734 PolarHBondContact O-NZ 3.24Å; K734-I743 HydrophobicContact CB-CG1 4.43Å; K734-I743 HydrophobicContact CB-CG2 4.04Å; K734-I743 HydrophobicContact CD-CD1 3.81Å; K734-I743 HydrophobicContact CD-CG1 4.36Å; K734-I743 HydrophobicContact CD-CG2 4.33Å; K734-T745 WeakPolarHBondContact CA-O 3.27Å; K734-R746 HydrophobicContact CG-CG 4.42Å
735	M	95	Very high	92.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.2	170.2	-163.5	60.3	59.9	0	0	109.8	L723 L724 L725 I743 T744 T745 F747 I761 V782	L723-M735 HydrophobicContact CB-CG 3.86Å; L723-M735 HydrophobicContact CB-SD 3.62Å; L723-M735 HydrophobicContact CD1-CG 3.84Å; L723-M735 HydrophobicContact CD1-SD 4.37Å; L723-M735 HydrophobicContact CG-CG 4.33Å; L724-M735 VanDerWaalsContact C-SD 3.58Å; L725-M735 HydrophobicContact CB-CE 3.92Å; L725-M735 HydrophobicContact CB-SD 4.3Å; L725-M735 HydrophobicContact CD1-CE 4Å; M735-I743 CarbonylContact O-C 3.3Å; M735-I743 WeakPolarHBondContact O-CA 3.37Å; M735-T744 PolarHBondContact O-N 2.85Å; M735-T744 PolarHBondContact O-OG1 3.04Å; M735-T744 VanDerWaalsContact O-OG1 3.13Å; M735-T745 WeakPolarHBondContact CB-OG1 3.43Å; M735-T745 PolarHBondContact N-O 2.9Å; M735-F747 HydrophobicContact CB-CE2 4.01Å; M735-F747 HydrophobicContact CB-CZ 4.42Å; M735-F747 HydrophobicContact CE-CE2 4.29Å; M735-I761 HydrophobicContact CE-CD1 4.41Å; M735-V782 HydrophobicContact CE-CG1 4.05Å
736	L	94.9	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.4	179.8	171.6	70.6	0	0	0	109.7	I676 I702 V704 L723 L724 V726 L738 N741	I676-L736 HydrophobicContact CD1-CD2 4.04Å; I702-L736 HydrophobicContact CD1-CD2 4.25Å; I702-L736 HydrophobicContact CG2-CD2 4.07Å; V704-L736 HydrophobicContact CG2-CD1 4.27Å; L723-L736 CarbonylContact C-O 3.4Å; L723-L736 WeakPolarHBondContact CA-O 3.47Å; L724-L736 HydrophobicContact CB-CB 4.42Å; L724-L736 HydrophobicContact CD2-CD2 4.28Å; L724-L736 PolarHBondContact N-O 3.19Å; L724-L736 WeakPolarHBondContact O-CB 3.37Å; L724-L736 PolarHBondContact O-N 3.03Å; V726-L736 HydrophobicContact CG2-CB 4.2Å; V726-L736 HydrophobicContact CG2-CD2 4.5Å; L736-L738 HydrophobicContact CD2-CD2 3.97Å; L736-L738 HydrophobicContact CG-CD2 4.35Å; L736-L738 PolarHBondContact O-N 3.38Å; L736-N741 WeakPolarHBondContact CD1-O 3.45Å
737	D	93.1	Very high	92.1	Very high	29 Å²	29	41 Å²	41	16%	0.155	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.1	166.5	167	39	0	0	0	110.7	L723 R739 S740 N741 F742 T744	L723-D737 HydrophobicContact CD2-CB 3.78Å; D737-R739 PolarHBondContact O-N 3.33Å; D737-R739 VanDerWaalsContact OD1-CB 3.32Å; D737-R739 WeakPolarHBondContact OD1-CB 3.36Å; D737-R739 PolarHBondContact OD1-N 2.87Å; D737-S740 WeakPolarHBondContact OD2-CB 3.45Å; D737-S740 PolarHBondContact OD2-N 2.87Å; D737-S740 PolarHBondContact OD2-OG 2.89Å; D737-N741 VanDerWaalsContact O-CA 3.29Å; D737-N741 WeakPolarHBondContact O-CA 3.16Å; D737-N741 PolarHBondContact O-N 2.93Å; D737-F742 PolarHBondContact N-O 2.97Å; D737-T744 HydrophobicContact CB-CG2 3.63Å
738	L	92	Very high	91.9	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.084	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.6	-178.8	-62.9	172.3	0	0	0	113.4	Y668 I702 F717 N722 L724 L736	Y668-L738 HydrophobicContact CD1-CD1 4.29Å; Y668-L738 HydrophobicContact CD1-CD2 4.17Å; Y668-L738 HydrophobicContact CE1-CD1 3.5Å; Y668-L738 VanDerWaalsContact CE1-CD1 3.5Å; Y668-L738 HydrophobicContact CE1-CD2 3.78Å; Y668-L738 HydrophobicContact CE1-CG 4.24Å; I702-L738 HydrophobicContact CD1-CD2 3.85Å; F717-L738 HydrophobicContact CD2-CD1 3.93Å; F717-L738 HydrophobicContact CE2-CD1 3.41Å; F717-L738 VanDerWaalsContact CE2-CD1 3.41Å; F717-L738 HydrophobicContact CZ-CD1 4.27Å; N722-L738 PolarHBondContact O-N 2.76Å; L724-L738 HydrophobicContact CB-CD1 4.05Å; L724-L738 HydrophobicContact CB-CD2 3.87Å; L724-L738 HydrophobicContact CB-CG 4Å; L724-L738 HydrophobicContact CD2-CD2 4.13Å; L736-L738 HydrophobicContact CD2-CD2 3.97Å; L736-L738 HydrophobicContact CG-CD2 4.35Å; L736-L738 PolarHBondContact O-N 3.38Å
739	R	90.6	Very high	91.3	Very high	208 Å²	208	46.1 Å²	46.1	79%	0.785	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-49.2	172.4	-177.1	-179.5	-66.6	161.6	1.1	111.4	N722 D737	N722-R739 PolarHBondContact ND2-N 2.8Å; D737-R739 PolarHBondContact O-N 3.33Å; D737-R739 VanDerWaalsContact OD1-CB 3.32Å; D737-R739 WeakPolarHBondContact OD1-CB 3.36Å; D737-R739 PolarHBondContact OD1-N 2.87Å
740	S	89.8	Confident	91.2	Very high	55 Å²	55	42.8 Å²	42.8	39%	0.385	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-14.3	-176.9	67.3	0	0	0	0	114.7	D737 F742	D737-S740 WeakPolarHBondContact OD2-CB 3.45Å; D737-S740 PolarHBondContact OD2-N 2.87Å; D737-S740 PolarHBondContact OD2-OG 2.89Å; S740-F742 VanDerWaalsContact O-CD2 3.26Å; S740-F742 WeakPolarHBondContact O-CD2 3.45Å; S740-F742 WeakPolarHBondContact O-CE2 3.29Å; S740-F742 PolarHBondContact O-N 3.18Å; S740-F742 PolarHBondContact OG-N 3.43Å
741	N	89.8	Confident	91.1	Very high	30 Å²	30	44 Å²	44	16%	0.16	22%	0.22	C	C	.	.			trans	65.5	13.5	-171.3	-86.8	36	0	0	0	115.2	K700 I702 V704 L736 D737	K700-N741 WeakPolarHBondContact CE-ND2 3.48Å; K700-N741 VanDerWaalsContact NZ-CG 3.27Å; K700-N741 PolarHBondContact NZ-ND2 3.35Å; K700-N741 PolarHBondContact NZ-OD1 2.9Å; I702-N741 WeakPolarHBondContact CD1-OD1 3.05Å; V704-N741 WeakPolarHBondContact CG2-O 3.43Å; L736-N741 WeakPolarHBondContact CD1-O 3.45Å; D737-N741 VanDerWaalsContact O-CA 3.29Å; D737-N741 WeakPolarHBondContact O-CA 3.16Å; D737-N741 PolarHBondContact O-N 2.93Å
742	F	90.8	Very high	91.1	Very high	144 Å²	144	41.8 Å²	41.8	63%	0.632	21%	0.209	S	C	*	.	S	Bend	trans	-104.5	150.4	179.1	-64.3	-69.9	0	0	0	113.2	D737 S740 T744	D737-F742 PolarHBondContact N-O 2.97Å; S740-F742 VanDerWaalsContact O-CD2 3.26Å; S740-F742 WeakPolarHBondContact O-CD2 3.45Å; S740-F742 WeakPolarHBondContact O-CE2 3.29Å; S740-F742 PolarHBondContact O-N 3.18Å; S740-F742 PolarHBondContact OG-N 3.43Å; F742-T744 PolarHBondContact O-N 3.12Å
743	I	92.5	Very high	90.8	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.087	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.4	170.3	-70.3	151.4	0	0	0	108.3	V704 E706 K734 M735 R746	V704-I743 HydrophobicContact CG1-CD1 3.74Å; V704-I743 HydrophobicContact CG1-CG1 4.4Å; E706-I743 HydrophobicContact CB-CD1 3.61Å; E706-I743 HydrophobicContact CG-CD1 4.23Å; E706-I743 WeakPolarHBondContact OE2-CD1 3.39Å; K734-I743 HydrophobicContact CB-CG1 4.43Å; K734-I743 HydrophobicContact CB-CG2 4.04Å; K734-I743 HydrophobicContact CD-CD1 3.81Å; K734-I743 HydrophobicContact CD-CG1 4.36Å; K734-I743 HydrophobicContact CD-CG2 4.33Å; M735-I743 CarbonylContact O-C 3.3Å; M735-I743 WeakPolarHBondContact O-CA 3.37Å; I743-R746 HydrophobicContact CG2-CG 3.88Å
744	T	90.7	Very high	90.4	Very high	72 Å²	72	49.9 Å²	49.9	44%	0.442	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-40.6	-177.9	52.6	0	0	0	0	111.9	M735 D737 F742	M735-T744 PolarHBondContact O-N 2.85Å; M735-T744 PolarHBondContact O-OG1 3.04Å; M735-T744 VanDerWaalsContact O-OG1 3.13Å; D737-T744 HydrophobicContact CB-CG2 3.63Å; F742-T744 PolarHBondContact O-N 3.12Å
745	T	91.3	Very high	89.9	Confident	19 Å²	19	52.8 Å²	52.8	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146	-179.3	48.9	0	0	0	0	111.2	K734 M735 F747	K734-T745 WeakPolarHBondContact CA-O 3.27Å; M735-T745 WeakPolarHBondContact CB-OG1 3.43Å; M735-T745 PolarHBondContact N-O 2.9Å; T745-F747 VanDerWaalsContact OG1-CZ 3.3Å; T745-F747 WeakPolarHBondContact OG1-CZ 3.49Å
746	R	92.9	Very high	89.6	Confident	87 Å²	87	53.9 Å²	53.9	33%	0.328	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.2	176	-65.9	178.5	-162.8	76.8	8.2	107.9	E706 K734 I743 R958	E706-R746 IonicContact OE1-CZ 3.64Å; E706-R746 IonicContact OE1-NH2 3.28Å; E706-R746 PolarHBondContact OE1-NH2 2.9Å; E706-R746 IonicContact OE2-CZ 2.75Å; E706-R746 IonicContact OE2-NE 2.82Å; E706-R746 PolarHBondContact OE2-NE 2.83Å; E706-R746 IonicContact OE2-NH2 2.73Å; E706-R746 PolarHBondContact OE2-NH2 2.9Å; K734-R746 HydrophobicContact CG-CG 4.42Å; I743-R746 HydrophobicContact CG2-CG 3.88Å; R746-R958 PolarHBondContact O-NH2 3Å
747	F	92.8	Very high	89.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.			trans	-110.6	79.6	-171.2	-59.4	-73.7	0	0	0	110	P733 M735 T745 L768 W780	P733-F747 HydrophobicContact CB-CB 4.37Å; P733-F747 HydrophobicContact CB-CD2 4.4Å; P733-F747 WeakPolarHBondContact CD-O 3.36Å; P733-F747 WeakPolarHBondContact O-CB 3.29Å; P733-F747 WeakPolarHBondContact O-CD2 3.5Å; P733-F747 PolarHBondContact O-N 2.89Å; M735-F747 HydrophobicContact CB-CE2 4.01Å; M735-F747 HydrophobicContact CB-CZ 4.42Å; M735-F747 HydrophobicContact CE-CE2 4.29Å; T745-F747 VanDerWaalsContact OG1-CZ 3.3Å; T745-F747 WeakPolarHBondContact OG1-CZ 3.49Å; F747-L768 HydrophobicContact CB-CD2 4.19Å; F747-L768 HydrophobicContact CD1-CD2 4.08Å; F747-L768 HydrophobicContact CD2-CD2 3.32Å; F747-L768 HydrophobicContact CE1-CD2 4.24Å; F747-L768 HydrophobicContact CE2-CD2 3.54Å; F747-L768 HydrophobicContact CG-CD2 3.61Å; F747-L768 HydrophobicContact CZ-CD2 3.99Å; F747-W780 HydrophobicContact CB-CD2 3.87Å; F747-W780 HydrophobicContact CB-CE3 4.34Å; F747-W780 HydrophobicContact CB-CG 4.12Å; F747-W780 HydrophobicContact CB-CH2 4.46Å; F747-W780 HydrophobicContact CB-CZ2 4.05Å; F747-W780 HydrophobicContact CD1-CB 3.52Å; F747-W780 AromaticContact CD1-CD1 3.96Å; F747-W780 HydrophobicContact CD1-CD2 4.17Å; F747-W780 AromaticContact CD1-CG 3.64Å; F747-W780 HydrophobicContact CD1-CG 3.64Å; F747-W780 HydrophobicContact CE1-CB 3.9Å; F747-W780 HydrophobicContact CE1-CG 4.49Å; F747-W780 HydrophobicContact CG-CB 4.48Å; F747-W780 HydrophobicContact CG-CD2 4.34Å; F747-W780 HydrophobicContact CG-CG 4.27Å; F747-W780 WeakPolarHBondContact O-CZ2 3.43Å
748	H	89.6	Confident	89.5	Confident	70 Å²	70	53.3 Å²	53.3	32%	0.324	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	145.7	-178.6	-56.8	122.9	0	0	0	112	C732 W780 D960	C732-H748 VanDerWaalsContact SG-CD2 3.52Å; H748-W780 PolarHBondContact O-NE1 3.03Å; H748-W780 VanDerWaalsContact O-NE1 3.1Å; H748-D960 IonicContact CE1-OD2 3.85Å; H748-D960 IonicContact CG-OD2 3.93Å; H748-D960 IonicContact ND1-OD2 3.6Å; H748-D960 PolarHBondContact ND1-OD2 3.4Å
749	G	81.6	Confident	89.6	Confident	39 Å²	39	52.6 Å²	52.6	40%	0.402	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	126.5	-18	165.7	0	0	0	0	0	116.6	Y778	G749-Y778 WeakPolarHBondContact O-CE1 3.3Å; G749-Y778 PolarHBondContact O-OH 3.48Å
750	A	87.8	Confident	89.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.			trans	-96.8	128.8	177	0	0	0	0	0	111.2	N731 Y778 W780	N731-A750 CarbonylContact C-O 3.54Å; N731-A750 VanDerWaalsContact C-O 3.3Å; N731-A750 VanDerWaalsContact CA-O 3.24Å; N731-A750 WeakPolarHBondContact CA-O 3.4Å; N731-A750 VanDerWaalsContact O-O 3.11Å; A750-Y778 HydrophobicContact CB-CD2 3.82Å; A750-Y778 HydrophobicContact CB-CE2 4.44Å; A750-Y778 HydrophobicContact CB-CG 4.16Å; A750-W780 HydrophobicContact CB-CH2 3.7Å; A750-W780 HydrophobicContact CB-CZ2 4.15Å
751	L	89.3	Confident	90	Very high	78 Å²	78	41.1 Å²	41.1	41%	0.408	22%	0.217	S	C	.	.			trans	-80.5	130.9	-179.4	-60.3	-174.5	0	0	0	111.7	N731 S772 E773 D774	N731-L751 HydrophobicContact CB-CD2 4.31Å; N731-L751 WeakPolarHBondContact OD1-CA 3.26Å; N731-L751 WeakPolarHBondContact OD1-CD2 3.23Å; L751-S772 PolarHBondContact N-OG 2.78Å; L751-S772 WeakPolarHBondContact O-CA 3.25Å; L751-E773 HydrophobicContact CB-CB 4.06Å; L751-E773 PolarHBondContact O-N 2.97Å; L751-D774 HydrophobicContact CD1-CB 4.18Å
752	N	89.8	Confident	90.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.			trans	-155.3	109.3	174	-167.9	-21.9	0	0	0	110.4	N713 H727 R729 D730 N731 E755 L757	N713-N752 PolarHBondContact ND2-ND2 2.88Å; N713-N752 PolarHBondContact ND2-OD1 3.35Å; N713-N752 VanDerWaalsContact ND2-OD1 3.09Å; H727-N752 PolarHBondContact CD2-ND2 3.26Å; H727-N752 PolarHBondContact CE1-ND2 2.79Å; H727-N752 PolarHBondContact NE2-ND2 3.2Å; R729-N752 CarbonylContact C-O 3.55Å; R729-N752 WeakPolarHBondContact CA-O 3.32Å; D730-N752 PolarHBondContact N-O 3.15Å; N731-N752 PolarHBondContact N-O 2.84Å; N731-N752 PolarHBondContact OD1-N 3Å; N752-E755 PolarHBondContact OD1-O 2.98Å; N752-L757 HydrophobicContact CB-CD1 3.95Å; N752-L757 WeakPolarHBondContact ND2-CB 3.39Å; N752-L757 WeakPolarHBondContact ND2-CG 3.46Å
753	N	84.4	Confident	89.9	Confident	82 Å²	82	34.8 Å²	34.8	44%	0.439	19%	0.192	S	C	.	.	S	Bend	trans	-133.3	-41.8	-175.6	-54	-88.2	0	0	0	111	N731 E773	N731-N753 PolarHBondContact ND2-OD1 2.89Å; N731-N753 PolarHBondContact OD1-ND2 2.88Å; N731-N753 PolarHBondContact OD1-OD1 3.04Å; N753-E773 PolarHBondContact N-OE1 2.57Å; N753-E773 PolarHBondContact N-OE2 3.21Å; N753-E773 PolarHBondContact ND2-OE2 3.41Å
754	T	85.9	Confident	89.4	Confident	94 Å²	94	35.4 Å²	35.4	58%	0.577	20%	0.198	S	C	*	.	S	Bend	trans	-118.7	-29.5	-170.3	56.8	0	0	0	0	113.8	R729 E773	R729-T754 VanDerWaalsContact CZ-O 3.28Å; R729-T754 VanDerWaalsContact NH1-C 3.26Å; R729-T754 PolarHBondContact NH1-O 3.16Å; R729-T754 PolarHBondContact NH2-O 2.9Å; T754-E773 PolarHBondContact N-OE1 3.03Å; T754-E773 PolarHBondContact OG1-OE1 3.34Å
755	E	84.7	Confident	89.3	Confident	67 Å²	67	32 Å²	32	31%	0.313	18%	0.178	S	C	.	.	S	Bend	trans	-95.3	160.8	-170.9	-70.5	-59.4	161.3	0	0	115.1	N713 R729 N752 L757 E773	N713-E755 PolarHBondContact ND2-O 2.94Å; R729-E755 PolarHBondContact NH2-O 2.92Å; N752-E755 PolarHBondContact OD1-O 2.98Å; E755-L757 HydrophobicContact CB-CD2 3.6Å; E755-L757 HydrophobicContact CB-CG 4.21Å; E755-L757 PolarHBondContact O-N 3.08Å; E755-E773 HydrophobicContact CB-CG 4.42Å; E755-E773 HydrophobicContact CG-CG 4.45Å; E755-E773 PolarHBondContact N-OE1 2.56Å
756	L	88.3	Confident	89.2	Confident	25 Å²	25	33 Å²	33	13%	0.131	19%	0.185	C	C	.	.			trans	-90	73.1	174.5	-175.5	67.1	0	0	0	110.3	Y483 N713	Y483-L756 HydrophobicContact CD1-CD2 3.6Å; Y483-L756 HydrophobicContact CE1-CD2 4.28Å; Y483-L756 HydrophobicContact CG-CD2 4.23Å; N713-L756 HydrophobicContact CB-CD1 4.08Å; N713-L756 WeakPolarHBondContact OD1-CD1 3.49Å
757	L	93	Very high	89.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.			trans	-80.3	142.5	-179.5	-45.4	-173.6	0	0	0	112.5	N752 E755 E773 T801	N752-L757 HydrophobicContact CB-CD1 3.95Å; N752-L757 WeakPolarHBondContact ND2-CB 3.39Å; N752-L757 WeakPolarHBondContact ND2-CG 3.46Å; E755-L757 HydrophobicContact CB-CD2 3.6Å; E755-L757 HydrophobicContact CB-CG 4.21Å; E755-L757 PolarHBondContact O-N 3.08Å; L757-E773 HydrophobicContact CD1-CG 4.42Å; L757-T801 CarbonylContact C-O 3.57Å; L757-T801 WeakPolarHBondContact CA-O 3.43Å
758	R	92.7	Very high	89.3	Confident	17 Å²	17	30.6 Å²	30.6	6%	0.064	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-117.5	113.3	174.6	-60.2	-173.7	178.9	-94.4	-7.8	110.9	Y483 Y593 H714 T801 I803	Y483-R758 PolarHBondContact O-NE 3.38Å; Y483-R758 PolarHBondContact O-NH2 2.76Å; Y593-R758 PolarHBondContact O-NH2 2.94Å; H714-R758 PolarHBondContact CD2-NH1 2.83Å; H714-R758 PolarHBondContact NE2-NH1 3.19Å; R758-T801 PolarHBondContact N-O 3.3Å; R758-I803 PolarHBondContact O-N 2.57Å
759	S	93.9	Very high	89.5	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	16%	0.161	C	C	.	.			trans	-77.5	161.9	166.5	-49.4	0	0	0	0	110.9	H714 H727 F769 S770	H714-S759 PolarHBondContact CE1-O 2.86Å; H714-S759 PolarHBondContact ND1-O 2.91Å; H727-S759 PolarHBondContact CE1-OG 2.81Å; H727-S759 PolarHBondContact ND1-OG 2.98Å; S759-F769 CarbonylContact C-O 3.57Å; S759-F769 VanDerWaalsContact CA-O 3.25Å; S759-F769 WeakPolarHBondContact CA-O 3.42Å; S759-F769 VanDerWaalsContact CB-O 3.26Å; S759-F769 WeakPolarHBondContact CB-O 3.4Å; S759-S770 WeakPolarHBondContact OG-CB 3.32Å; S759-S770 PolarHBondContact OG-OG 2.98Å
760	C	94.6	Very high	90.1	Very high	14 Å²	14	25.4 Å²	25.4	10%	0.095	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.8	178.1	-178.9	0	0	0	0	111	E716 F769 I803	E716-C760 WeakPolarHBondContact OE2-CA 3.47Å; C760-F769 PolarHBondContact N-O 3.37Å; C760-F769 PolarHBondContact O-N 2.75Å; C760-I803 HydrophobicContact CB-CB 4.14Å; C760-I803 HydrophobicContact CB-CG2 3.9Å
761	I	94.2	Very high	90.3	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.036	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136	170.4	-52.1	169.3	0	0	0	108.9	E716 H718 L725 M735	E716-I761 HydrophobicContact CB-CD1 4.36Å; E716-I761 VanDerWaalsContact CD-N 3.3Å; E716-I761 HydrophobicContact CG-CD1 4.05Å; E716-I761 HydrophobicContact CG-CG1 4.28Å; E716-I761 PolarHBondContact OE1-N 2.87Å; E716-I761 PolarHBondContact OE2-N 2.96Å; H718-I761 HydrophobicContact CB-CD1 4.11Å; L725-I761 HydrophobicContact CB-CD1 3.98Å; L725-I761 HydrophobicContact CB-CG1 4.41Å; L725-I761 HydrophobicContact CD2-CD1 4.36Å; L725-I761 HydrophobicContact CD2-CG1 3.91Å; M735-I761 HydrophobicContact CE-CD1 4.41Å
762	S	91.8	Very high	90.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.			trans	-57.9	146.3	171.8	61.9	0	0	0	0	112	C764 G765 S766 F767	S762-C764 PolarHBondContact O-N 2.7Å; S762-G765 PolarHBondContact O-N 2.91Å; S762-S766 PolarHBondContact OG-N 2.87Å; S762-F767 PolarHBondContact N-O 2.65Å; S762-F767 PolarHBondContact OG-N 3.23Å; S762-F767 PolarHBondContact OG-O 3.46Å; S762-F767 VanDerWaalsContact OG-O 3.12Å
763	P	86.7	Confident	90.6	Very high	42 Å²	42	23.3 Å²	23.3	27%	0.273	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-17	-179.4	-30.1	35.5	0	0	0	116.6	Y805	P763-Y805 HydrophobicContact CG-CD1 3.73Å; P763-Y805 HydrophobicContact CG-CE1 4.24Å
764	C	82.3	Confident	90.9	Very high	29 Å²	29	21.8 Å²	21.8	20%	0.196	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.9	174.4	74	0	0	0	0	114.7	C374 S762 S766	C374-C764 HydrophobicContact CB-CB 4.28Å; C374-C764 WeakPolarHBondContact CB-SG 3.26Å; S762-C764 PolarHBondContact O-N 2.7Å; C764-S766 VanDerWaalsContact C-N 3.31Å; C764-S766 PolarHBondContact O-N 2.77Å; C764-S766 PolarHBondContact SG-N 2.9Å; C764-S766 PolarHBondContact SG-OG 3.02Å; C764-S766 VanDerWaalsContact SG-OG 3.39Å
765	G	88.8	Confident	91	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	85.6	-21.1	-175.7	0	0	0	0	0	115.5	H718 S762 F767 V782	H718-G765 WeakPolarHBondContact NE2-CA 3.28Å; H718-G765 PolarHBondContact NE2-O 3.18Å; S762-G765 PolarHBondContact O-N 2.91Å; G765-F767 PolarHBondContact O-N 3.29Å; G765-V782 WeakPolarHBondContact O-CB 3.47Å; G765-V782 VanDerWaalsContact O-CG2 3.28Å; G765-V782 WeakPolarHBondContact O-CG2 3.47Å
766	S	87.9	Confident	91.4	Very high	39 Å²	39	19.8 Å²	19.8	27%	0.273	11%	0.107	S	C	.	.	S	Bend	trans	-68.4	-31.1	-168.9	-51.7	0	0	0	0	115.7	S762 C764 N781 V782	S762-S766 PolarHBondContact OG-N 2.87Å; C764-S766 VanDerWaalsContact C-N 3.31Å; C764-S766 PolarHBondContact O-N 2.77Å; C764-S766 PolarHBondContact SG-N 2.9Å; C764-S766 PolarHBondContact SG-OG 3.02Å; C764-S766 VanDerWaalsContact SG-OG 3.39Å; S766-N781 WeakPolarHBondContact O-CA 3.31Å; S766-N781 PolarHBondContact O-OD1 3.09Å; S766-V782 PolarHBondContact O-N 2.91Å
767	F	92.8	Very high	91.6	Very high	36 Å²	36	18.6 Å²	18.6	16%	0.158	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.3	-177.1	-57.7	-71.3	0	0	0	112.6	I376 S762 G765 F769 V779 W780 V788	I376-F767 HydrophobicContact CD1-CD1 4.05Å; I376-F767 HydrophobicContact CD1-CE1 3.8Å; I376-F767 HydrophobicContact CD1-CZ 4.24Å; I376-F767 HydrophobicContact CG1-CD1 4.16Å; I376-F767 HydrophobicContact CG1-CD2 4.38Å; I376-F767 HydrophobicContact CG1-CE1 4.05Å; I376-F767 HydrophobicContact CG1-CE2 4.27Å; I376-F767 HydrophobicContact CG1-CG 4.32Å; I376-F767 HydrophobicContact CG1-CZ 4.11Å; S762-F767 PolarHBondContact N-O 2.65Å; S762-F767 PolarHBondContact OG-N 3.23Å; S762-F767 PolarHBondContact OG-O 3.46Å; S762-F767 VanDerWaalsContact OG-O 3.12Å; G765-F767 PolarHBondContact O-N 3.29Å; F767-F769 HydrophobicContact CB-CD2 4.47Å; F767-F769 HydrophobicContact CB-CE2 3.8Å; F767-F769 HydrophobicContact CB-CZ 4.34Å; F767-V779 HydrophobicContact CB-CG1 4.31Å; F767-V779 HydrophobicContact CD1-CG1 4.41Å; F767-W780 WeakPolarHBondContact CA-O 3.34Å; F767-V788 HydrophobicContact CE1-CG1 4.43Å; F767-V788 HydrophobicContact CE1-CG2 4.35Å
768	L	95	Very high	91.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.8	167.4	170.2	63.6	0	0	0	108.8	L725 P733 F747 V779 W780 V782	L725-L768 HydrophobicContact CD1-CD1 3.77Å; L725-L768 HydrophobicContact CD1-CD2 3.92Å; L725-L768 HydrophobicContact CD2-CD1 3.45Å; L725-L768 VanDerWaalsContact CD2-CD1 3.45Å; L725-L768 HydrophobicContact CG-CD1 4.27Å; P733-L768 HydrophobicContact CB-CD2 4.37Å; F747-L768 HydrophobicContact CB-CD2 4.19Å; F747-L768 HydrophobicContact CD1-CD2 4.08Å; F747-L768 HydrophobicContact CD2-CD2 3.32Å; F747-L768 HydrophobicContact CE1-CD2 4.24Å; F747-L768 HydrophobicContact CE2-CD2 3.54Å; F747-L768 HydrophobicContact CG-CD2 3.61Å; F747-L768 HydrophobicContact CZ-CD2 3.99Å; L768-V779 VanDerWaalsContact O-CA 3.3Å; L768-V779 WeakPolarHBondContact O-CA 3.44Å; L768-W780 HydrophobicContact CB-CE3 4.38Å; L768-W780 HydrophobicContact CD2-CE3 3.9Å; L768-W780 HydrophobicContact CD2-CZ3 4.19Å; L768-W780 HydrophobicContact CG-CE3 3.93Å; L768-W780 HydrophobicContact CG-CZ3 4.23Å; L768-W780 PolarHBondContact N-O 3.28Å; L768-W780 PolarHBondContact O-N 3.28Å; L768-V782 HydrophobicContact CB-CG2 3.87Å
769	F	94.9	Very high	91.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.3	170.6	-63.4	-99.4	0	0	0	109.5	S759 C760 F767 Y778 V779 Y791 I803 Y805 I812	S759-F769 CarbonylContact C-O 3.57Å; S759-F769 VanDerWaalsContact CA-O 3.25Å; S759-F769 WeakPolarHBondContact CA-O 3.42Å; S759-F769 VanDerWaalsContact CB-O 3.26Å; S759-F769 WeakPolarHBondContact CB-O 3.4Å; C760-F769 PolarHBondContact N-O 3.37Å; C760-F769 PolarHBondContact O-N 2.75Å; F767-F769 HydrophobicContact CB-CD2 4.47Å; F767-F769 HydrophobicContact CB-CE2 3.8Å; F767-F769 HydrophobicContact CB-CZ 4.34Å; F769-Y778 WeakPolarHBondContact CA-O 3.31Å; F769-V779 HydrophobicContact CD1-CB 4.34Å; F769-V779 HydrophobicContact CD1-CG1 4Å; F769-V779 HydrophobicContact CD1-CG2 3.57Å; F769-V779 HydrophobicContact CE1-CB 4.33Å; F769-V779 HydrophobicContact CE1-CG1 3.73Å; F769-V779 HydrophobicContact CE1-CG2 3.61Å; F769-V779 HydrophobicContact CE2-CG1 4.39Å; F769-V779 HydrophobicContact CG-CG1 4.45Å; F769-V779 HydrophobicContact CZ-CG1 3.93Å; F769-Y791 HydrophobicContact CD1-CE2 4.19Å; F769-Y791 HydrophobicContact CE1-CE2 4.03Å; F769-I803 HydrophobicContact CB-CD1 4.05Å; F769-I803 HydrophobicContact CB-CG2 4.09Å; F769-Y805 HydrophobicContact CD2-CD2 4.17Å; F769-Y805 AromaticContact CE2-CD2 3.67Å; F769-Y805 HydrophobicContact CE2-CD2 3.67Å; F769-Y805 AromaticContact CE2-CE2 3.71Å; F769-Y805 HydrophobicContact CE2-CE2 3.71Å; F769-Y805 HydrophobicContact CZ-CD2 4.15Å; F769-Y805 AromaticContact CZ-CE2 3.85Å; F769-Y805 HydrophobicContact CZ-CE2 3.85Å; F769-I812 HydrophobicContact CB-CD1 4.06Å; F769-I812 HydrophobicContact CD1-CD1 3.31Å; F769-I812 HydrophobicContact CD2-CD1 3.89Å; F769-I812 HydrophobicContact CE1-CD1 3.61Å; F769-I812 HydrophobicContact CE2-CD1 4.16Å; F769-I812 HydrophobicContact CG-CD1 3.47Å; F769-I812 VanDerWaalsContact CG-CD1 3.47Å; F769-I812 HydrophobicContact CZ-CD1 4.04Å
770	S	94.5	Very high	91.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.7	170.5	-164	0	0	0	0	111.9	H727 S759 V777 Y778	H727-S770 PolarHBondContact CE1-OG 2.73Å; S759-S770 WeakPolarHBondContact OG-CB 3.32Å; S759-S770 PolarHBondContact OG-OG 2.98Å; S770-V777 WeakPolarHBondContact O-CA 3.44Å; S770-Y778 PolarHBondContact N-O 3.44Å; S770-Y778 PolarHBondContact O-N 3.4Å
771	G	91.9	Very high	91.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	166.1	160.4	0	0	0	0	0	110.8	V800 I803	G771-V800 WeakPolarHBondContact CA-O 3.48Å; G771-I803 VanDerWaalsContact N-CD1 3.26Å
772	S	92.5	Very high	91.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.			trans	-148.7	156.7	-172.7	172.9	0	0	0	0	110.5	L751 D774 Q775 N776 V800	L751-S772 PolarHBondContact N-OG 2.78Å; L751-S772 WeakPolarHBondContact O-CA 3.25Å; S772-D774 WeakPolarHBondContact CB-OD1 3.39Å; S772-D774 PolarHBondContact O-N 2.94Å; S772-D774 VanDerWaalsContact OG-CG 3.29Å; S772-D774 PolarHBondContact OG-N 2.92Å; S772-D774 PolarHBondContact OG-OD1 3.28Å; S772-Q775 PolarHBondContact O-N 2.82Å; S772-N776 PolarHBondContact N-O 2.82Å; S772-V800 PolarHBondContact O-N 3.03Å
773	E	91.8	Very high	90.9	Very high	35 Å²	35	25.2 Å²	25.2	16%	0.164	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.7	176	-72.9	166.5	175.9	0	0	113	L751 N753 T754 E755 L757 Q775	L751-E773 HydrophobicContact CB-CB 4.06Å; L751-E773 PolarHBondContact O-N 2.97Å; N753-E773 PolarHBondContact N-OE1 2.57Å; N753-E773 PolarHBondContact N-OE2 3.21Å; N753-E773 PolarHBondContact ND2-OE2 3.41Å; T754-E773 PolarHBondContact N-OE1 3.03Å; T754-E773 PolarHBondContact OG1-OE1 3.34Å; E755-E773 HydrophobicContact CB-CG 4.42Å; E755-E773 HydrophobicContact CG-CG 4.45Å; E755-E773 PolarHBondContact N-OE1 2.56Å; L757-E773 HydrophobicContact CD1-CG 4.42Å; E773-Q775 PolarHBondContact O-N 3.14Å
774	D	89.9	Confident	90.9	Very high	49 Å²	49	26.2 Å²	26.2	26%	0.262	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	12.6	173.1	79.2	-26.5	0	0	0	114.3	L751 S772 N776 Y778	L751-D774 HydrophobicContact CD1-CB 4.18Å; S772-D774 WeakPolarHBondContact CB-OD1 3.39Å; S772-D774 PolarHBondContact O-N 2.94Å; S772-D774 VanDerWaalsContact OG-CG 3.29Å; S772-D774 PolarHBondContact OG-N 2.92Å; S772-D774 PolarHBondContact OG-OD1 3.28Å; D774-N776 VanDerWaalsContact CG-ND2 3.32Å; D774-N776 PolarHBondContact O-N 3.37Å; D774-N776 WeakPolarHBondContact OD1-CB 3.43Å; D774-N776 PolarHBondContact OD1-N 3.1Å; D774-N776 VanDerWaalsContact OD1-N 3.1Å; D774-N776 PolarHBondContact OD2-ND2 2.86Å; D774-Y778 PolarHBondContact OD2-OH 3.41Å
775	Q	89.9	Confident	91.2	Very high	96 Å²	96	25 Å²	25	45%	0.449	13%	0.133	S	C	.	.	S	Bend	trans	69.8	1.1	-179.3	-46.9	168.8	27.1	0	0	115	S772 E773 L796	S772-Q775 PolarHBondContact O-N 2.82Å; E773-Q775 PolarHBondContact O-N 3.14Å; Q775-L796 PolarHBondContact OE1-O 3.16Å
776	N	91.5	Very high	91.1	Very high	24 Å²	24	27.7 Å²	27.7	13%	0.128	15%	0.147	C	C	.	.			trans	-94.3	166.1	179.5	-61.3	-44.9	0	0	0	112.4	S772 D774 Y778 Y791 Q792	S772-N776 PolarHBondContact N-O 2.82Å; D774-N776 VanDerWaalsContact CG-ND2 3.32Å; D774-N776 PolarHBondContact O-N 3.37Å; D774-N776 WeakPolarHBondContact OD1-CB 3.43Å; D774-N776 PolarHBondContact OD1-N 3.1Å; D774-N776 VanDerWaalsContact OD1-N 3.1Å; D774-N776 PolarHBondContact OD2-ND2 2.86Å; N776-Y778 HydrophobicContact CB-CD2 4.48Å; N776-Y778 HydrophobicContact CB-CE2 3.9Å; N776-Y791 WeakPolarHBondContact CA-O 3.46Å; N776-Y791 WeakPolarHBondContact CB-O 3.46Å; N776-Q792 WeakPolarHBondContact OD1-CA 3.48Å
777	V	92.7	Very high	91.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.5	168.1	172.3	0	0	0	0	110.2	S770 C790 Y791 L794 V800 I803 F814	S770-V777 WeakPolarHBondContact O-CA 3.44Å; V777-C790 CarbonylContact O-C 3.38Å; V777-C790 WeakPolarHBondContact O-CA 3.44Å; V777-Y791 HydrophobicContact CB-CD2 3.88Å; V777-Y791 HydrophobicContact CG1-CD2 3.8Å; V777-Y791 HydrophobicContact CG1-CE2 4.31Å; V777-Y791 PolarHBondContact N-O 3.07Å; V777-Y791 VanDerWaalsContact N-O 3.09Å; V777-Y791 PolarHBondContact O-N 2.77Å; V777-L794 HydrophobicContact CB-CD1 4.16Å; V777-L794 HydrophobicContact CG2-CD1 3.68Å; V777-V800 HydrophobicContact CG2-CB 4.27Å; V777-V800 HydrophobicContact CG2-CG1 3.75Å; V777-V800 HydrophobicContact CG2-CG2 4.2Å; V777-I803 HydrophobicContact CB-CD1 4.41Å; V777-I803 HydrophobicContact CG1-CD1 3.54Å; V777-I803 HydrophobicContact CG2-CD1 3.95Å; V777-F814 HydrophobicContact CB-CE1 4.36Å; V777-F814 HydrophobicContact CB-CE2 4.49Å; V777-F814 HydrophobicContact CB-CZ 4.19Å; V777-F814 HydrophobicContact CG1-CE1 3.82Å; V777-F814 HydrophobicContact CG1-CZ 3.87Å; V777-F814 HydrophobicContact CG2-CD1 4.06Å; V777-F814 HydrophobicContact CG2-CD2 4.28Å; V777-F814 HydrophobicContact CG2-CE1 4.07Å; V777-F814 HydrophobicContact CG2-CE2 4.3Å; V777-F814 HydrophobicContact CG2-CG 4.17Å; V777-F814 HydrophobicContact CG2-CZ 4.2Å
778	Y	94.2	Very high	91.1	Very high	27 Å²	27	32 Å²	32	11%	0.106	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.5	179.8	-71.2	-98.8	0	0	0	111	G749 A750 F769 S770 D774 N776 W780 K787	G749-Y778 WeakPolarHBondContact O-CE1 3.3Å; G749-Y778 PolarHBondContact O-OH 3.48Å; A750-Y778 HydrophobicContact CB-CD2 3.82Å; A750-Y778 HydrophobicContact CB-CE2 4.44Å; A750-Y778 HydrophobicContact CB-CG 4.16Å; F769-Y778 WeakPolarHBondContact CA-O 3.31Å; S770-Y778 PolarHBondContact N-O 3.44Å; S770-Y778 PolarHBondContact O-N 3.4Å; D774-Y778 PolarHBondContact OD2-OH 3.41Å; N776-Y778 HydrophobicContact CB-CD2 4.48Å; N776-Y778 HydrophobicContact CB-CE2 3.9Å; Y778-W780 HydrophobicContact CD1-CZ2 4.46Å; Y778-W780 HydrophobicContact CG-CH2 4.25Å; Y778-W780 HydrophobicContact CG-CZ2 4.23Å; Y778-K787 HydrophobicContact CD1-CD 3.84Å; Y778-K787 HydrophobicContact CE1-CD 4.16Å
779	V	94.4	Very high	90.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127	178.1	-165.2	0	0	0	0	109.9	I376 F767 L768 F769 K787 V788 A789 Y791	I376-V779 HydrophobicContact CD1-CG1 4.09Å; I376-V779 HydrophobicContact CG1-CG1 4.37Å; F767-V779 HydrophobicContact CB-CG1 4.31Å; F767-V779 HydrophobicContact CD1-CG1 4.41Å; L768-V779 VanDerWaalsContact O-CA 3.3Å; L768-V779 WeakPolarHBondContact O-CA 3.44Å; F769-V779 HydrophobicContact CD1-CB 4.34Å; F769-V779 HydrophobicContact CD1-CG1 4Å; F769-V779 HydrophobicContact CD1-CG2 3.57Å; F769-V779 HydrophobicContact CE1-CB 4.33Å; F769-V779 HydrophobicContact CE1-CG1 3.73Å; F769-V779 HydrophobicContact CE1-CG2 3.61Å; F769-V779 HydrophobicContact CE2-CG1 4.39Å; F769-V779 HydrophobicContact CG-CG1 4.45Å; F769-V779 HydrophobicContact CZ-CG1 3.93Å; V779-K787 CarbonylContact O-C 3.56Å; V779-K787 WeakPolarHBondContact O-CA 3.44Å; V779-V788 PolarHBondContact O-N 3.43Å; V779-A789 HydrophobicContact CB-CB 4.03Å; V779-A789 HydrophobicContact CG2-CB 3.98Å; V779-A789 PolarHBondContact N-O 3.19Å; V779-A789 PolarHBondContact O-N 2.9Å; V779-Y791 HydrophobicContact CG2-CD2 3.98Å; V779-Y791 HydrophobicContact CG2-CE2 3.46Å; V779-Y791 VanDerWaalsContact CG2-CE2 3.46Å
780	W	93.8	Very high	90.4	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	154.4	175.5	-52.3	-105.7	0	0	0	112.1	F747 H748 A750 F767 L768 Y778 D786	F747-W780 HydrophobicContact CB-CD2 3.87Å; F747-W780 HydrophobicContact CB-CE3 4.34Å; F747-W780 HydrophobicContact CB-CG 4.12Å; F747-W780 HydrophobicContact CB-CH2 4.46Å; F747-W780 HydrophobicContact CB-CZ2 4.05Å; F747-W780 HydrophobicContact CD1-CB 3.52Å; F747-W780 AromaticContact CD1-CD1 3.96Å; F747-W780 HydrophobicContact CD1-CD2 4.17Å; F747-W780 AromaticContact CD1-CG 3.64Å; F747-W780 HydrophobicContact CD1-CG 3.64Å; F747-W780 HydrophobicContact CE1-CB 3.9Å; F747-W780 HydrophobicContact CE1-CG 4.49Å; F747-W780 HydrophobicContact CG-CB 4.48Å; F747-W780 HydrophobicContact CG-CD2 4.34Å; F747-W780 HydrophobicContact CG-CG 4.27Å; F747-W780 WeakPolarHBondContact O-CZ2 3.43Å; H748-W780 PolarHBondContact O-NE1 3.03Å; H748-W780 VanDerWaalsContact O-NE1 3.1Å; A750-W780 HydrophobicContact CB-CH2 3.7Å; A750-W780 HydrophobicContact CB-CZ2 4.15Å; F767-W780 WeakPolarHBondContact CA-O 3.34Å; L768-W780 HydrophobicContact CB-CE3 4.38Å; L768-W780 HydrophobicContact CD2-CE3 3.9Å; L768-W780 HydrophobicContact CD2-CZ3 4.19Å; L768-W780 HydrophobicContact CG-CE3 3.93Å; L768-W780 HydrophobicContact CG-CZ3 4.23Å; L768-W780 PolarHBondContact N-O 3.28Å; L768-W780 PolarHBondContact O-N 3.28Å; Y778-W780 HydrophobicContact CD1-CZ2 4.46Å; Y778-W780 HydrophobicContact CG-CH2 4.25Å; Y778-W780 HydrophobicContact CG-CZ2 4.23Å; W780-D786 CarbonylContact C-O 3.53Å; W780-D786 WeakPolarHBondContact CA-O 3.26Å; W780-D786 WeakPolarHBondContact CB-O 3.34Å
781	N	89.1	Confident	90.1	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.214	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.3	166.5	178.7	-5.2	0	0	0	108.8	S766 N783 T784 G785 D786 V788	S766-N781 WeakPolarHBondContact O-CA 3.31Å; S766-N781 PolarHBondContact O-OD1 3.09Å; N781-N783 PolarHBondContact O-N 3.25Å; N781-N783 PolarHBondContact OD1-N 2.71Å; N781-N783 PolarHBondContact OD1-ND2 3.28Å; N781-T784 WeakPolarHBondContact CB-OG1 3.23Å; N781-T784 PolarHBondContact ND2-OG1 2.91Å; N781-T784 PolarHBondContact O-N 2.79Å; N781-G785 WeakPolarHBondContact O-CA 3.27Å; N781-G785 PolarHBondContact O-N 2.91Å; N781-D786 PolarHBondContact N-O 2.93Å; N781-V788 HydrophobicContact CB-CG2 3.78Å
782	V	90.3	Very high	89.8	Confident	6 Å²	6	42 Å²	42	4%	0.036	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.9	-177.3	170.1	0	0	0	0	112.3	M735 G765 S766 L768	M735-V782 HydrophobicContact CE-CG1 4.05Å; G765-V782 WeakPolarHBondContact O-CB 3.47Å; G765-V782 VanDerWaalsContact O-CG2 3.28Å; G765-V782 WeakPolarHBondContact O-CG2 3.47Å; S766-V782 PolarHBondContact O-N 2.91Å; L768-V782 HydrophobicContact CB-CG2 3.87Å
783	N	84.7	Confident	88.9	Confident	101 Å²	101	49 Å²	49	54%	0.54	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-31.2	-173.6	-55.7	-78.7	0	0	0	113.6	N781	N781-N783 PolarHBondContact O-N 3.25Å; N781-N783 PolarHBondContact OD1-N 2.71Å; N781-N783 PolarHBondContact OD1-ND2 3.28Å
784	T	86.5	Confident	88.2	Confident	64 Å²	64	47.5 Å²	47.5	39%	0.393	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-27.9	-178.1	60.8	0	0	0	0	112.8	N781 D786 R958	N781-T784 WeakPolarHBondContact CB-OG1 3.23Å; N781-T784 PolarHBondContact ND2-OG1 2.91Å; N781-T784 PolarHBondContact O-N 2.79Å; T784-D786 WeakPolarHBondContact CB-OD2 3.36Å; T784-D786 VanDerWaalsContact OG1-CG 3.29Å; T784-D786 PolarHBondContact OG1-N 3.26Å; T784-D786 PolarHBondContact OG1-OD2 2.88Å; T784-R958 PolarHBondContact O-NH1 3.1Å
785	G	87.3	Confident	87.4	Confident	4 Å²	4	51.8 Å²	51.8	4%	0.041	27%	0.27	C	S	.	.			trans	90.5	-6.8	-173.4	0	0	0	0	0	114.4	N781	N781-G785 WeakPolarHBondContact O-CA 3.27Å; N781-G785 PolarHBondContact O-N 2.91Å
786	D	88.1	Confident	86.9	Confident	57 Å²	57	47.5 Å²	47.5	31%	0.305	25%	0.25	S	C	.	.			trans	-69.2	140.9	-174.9	-50.8	-49.3	0	0	0	112.2	W780 N781 T784 V788	W780-D786 CarbonylContact C-O 3.53Å; W780-D786 WeakPolarHBondContact CA-O 3.26Å; W780-D786 WeakPolarHBondContact CB-O 3.34Å; N781-D786 PolarHBondContact N-O 2.93Å; T784-D786 WeakPolarHBondContact CB-OD2 3.36Å; T784-D786 VanDerWaalsContact OG1-CG 3.29Å; T784-D786 PolarHBondContact OG1-N 3.26Å; T784-D786 PolarHBondContact OG1-OD2 2.88Å; D786-V788 PolarHBondContact O-N 3.23Å
787	K	90.9	Very high	86.2	Confident	92 Å²	92	49.5 Å²	49.5	40%	0.4	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	110.7	169.1	-176.8	-175.5	66.4	179.1	0	109.3	Y778 V779	Y778-K787 HydrophobicContact CD1-CD 3.84Å; Y778-K787 HydrophobicContact CE1-CD 4.16Å; V779-K787 CarbonylContact O-C 3.56Å; V779-K787 WeakPolarHBondContact O-CA 3.44Å
788	V	88.3	Confident	85.8	Confident	73 Å²	73	50.2 Å²	50.2	44%	0.442	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-31.8	-177.5	-171.1	0	0	0	0	111.9	I376 F767 V779 N781 D786	I376-V788 HydrophobicContact CD1-CB 3.97Å; I376-V788 HydrophobicContact CD1-CG1 3.45Å; I376-V788 VanDerWaalsContact CD1-CG1 3.45Å; F767-V788 HydrophobicContact CE1-CG1 4.43Å; F767-V788 HydrophobicContact CE1-CG2 4.35Å; V779-V788 PolarHBondContact O-N 3.43Å; N781-V788 HydrophobicContact CB-CG2 3.78Å; D786-V788 PolarHBondContact O-N 3.23Å
789	A	86.8	Confident	85.5	Confident	28 Å²	28	50 Å²	50	23%	0.231	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.7	177.1	0	0	0	0	0	111.8	I376 V779	I376-A789 HydrophobicContact CD1-CB 4.5Å; I376-A789 HydrophobicContact CG2-CB 4.36Å; V779-A789 HydrophobicContact CB-CB 4.03Å; V779-A789 HydrophobicContact CG2-CB 3.98Å; V779-A789 PolarHBondContact N-O 3.19Å; V779-A789 PolarHBondContact O-N 2.9Å
790	C	89.7	Confident	85.4	Confident	39 Å²	39	50 Å²	50	26%	0.264	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.9	165.6	-170	0	0	0	0	107.7	V777 Q792	V777-C790 CarbonylContact O-C 3.38Å; V777-C790 WeakPolarHBondContact O-CA 3.44Å; C790-Q792 HydrophobicContact CB-CG 4.48Å; C790-Q792 PolarHBondContact O-N 2.95Å
791	Y	87.3	Confident	85.3	Confident	23 Å²	23	49.8 Å²	49.8	9%	0.09	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.9	170.3	-56.4	-87.4	0	0	0	108.3	I376 P377 F769 N776 V777 V779 F814 Y826	I376-Y791 VanDerWaalsContact CG2-OH 3.24Å; I376-Y791 WeakPolarHBondContact CG2-OH 3.45Å; P377-Y791 WeakPolarHBondContact O-CE1 3.44Å; P377-Y791 PolarHBondContact O-OH 3.46Å; F769-Y791 HydrophobicContact CD1-CE2 4.19Å; F769-Y791 HydrophobicContact CE1-CE2 4.03Å; N776-Y791 WeakPolarHBondContact CA-O 3.46Å; N776-Y791 WeakPolarHBondContact CB-O 3.46Å; V777-Y791 HydrophobicContact CB-CD2 3.88Å; V777-Y791 HydrophobicContact CG1-CD2 3.8Å; V777-Y791 HydrophobicContact CG1-CE2 4.31Å; V777-Y791 PolarHBondContact N-O 3.07Å; V777-Y791 VanDerWaalsContact N-O 3.09Å; V777-Y791 PolarHBondContact O-N 2.77Å; V779-Y791 HydrophobicContact CG2-CD2 3.98Å; V779-Y791 HydrophobicContact CG2-CE2 3.46Å; V779-Y791 VanDerWaalsContact CG2-CE2 3.46Å; Y791-F814 HydrophobicContact CD2-CE2 4.25Å; Y791-F814 AromaticContact CD2-CZ 3.93Å; Y791-F814 HydrophobicContact CD2-CZ 3.93Å; Y791-F814 AromaticContact CE2-CZ 3.89Å; Y791-F814 HydrophobicContact CE2-CZ 3.89Å; Y791-F814 HydrophobicContact CG-CE2 4.3Å; Y791-F814 HydrophobicContact CG-CZ 4.43Å; Y791-Y826 HydrophobicContact CD1-CD1 4.34Å; Y791-Y826 HydrophobicContact CD1-CE1 4.2Å; Y791-Y826 HydrophobicContact CE1-CD1 4.14Å; Y791-Y826 HydrophobicContact CE1-CE1 4.44Å; Y791-Y826 HydrophobicContact CE1-CG 4.47Å
792	Q	85.4	Confident	85.5	Confident	121 Å²	121	48 Å²	48	57%	0.565	26%	0.264	S	S	*	.			trans	-107.1	165.3	175.7	-61.3	178.5	-48.9	0	0	110.3	N776 C790 L794	N776-Q792 WeakPolarHBondContact OD1-CA 3.48Å; C790-Q792 HydrophobicContact CB-CG 4.48Å; C790-Q792 PolarHBondContact O-N 2.95Å; Q792-L794 VanDerWaalsContact C-N 3.25Å; Q792-L794 PolarHBondContact O-N 3.42Å
793	N	75.4	Confident	85.8	Confident	146 Å²	146	48.1 Å²	48.1	78%	0.781	26%	0.264	S	S	*	.			trans	56.1	36.5	178.3	-59.3	-33.2	0	0	0	113.8	Y383 Q795	Y383-N793 PolarHBondContact OH-O 2.94Å; N793-Q795 PolarHBondContact O-N 2.63Å
794	L	76.1	Confident	86.2	Confident	4 Å²	4	44 Å²	44	2%	0.021	24%	0.244	C	C	.	.			trans	-64.3	-2.3	-176.6	-74.6	179.8	0	0	0	115.6	Y383 V777 Q792 L796 V800 F814 Y826	Y383-L794 WeakPolarHBondContact CE1-O 3.34Å; Y383-L794 VanDerWaalsContact OH-C 3.32Å; Y383-L794 PolarHBondContact OH-O 3.36Å; V777-L794 HydrophobicContact CB-CD1 4.16Å; V777-L794 HydrophobicContact CG2-CD1 3.68Å; Q792-L794 VanDerWaalsContact C-N 3.25Å; Q792-L794 PolarHBondContact O-N 3.42Å; L794-L796 HydrophobicContact CB-CB 4.4Å; L794-L796 HydrophobicContact CB-CD1 4.1Å; L794-L796 HydrophobicContact CB-CG 4.08Å; L794-L796 HydrophobicContact CD1-CD1 4.17Å; L794-L796 PolarHBondContact O-N 2.9Å; L794-V800 HydrophobicContact CD1-CG2 4.41Å; L794-F814 HydrophobicContact CD1-CD2 4.31Å; L794-F814 HydrophobicContact CD2-CD2 4.12Å; L794-F814 HydrophobicContact CD2-CE2 4.14Å; L794-Y826 HydrophobicContact CD2-CE2 3.65Å; L794-Y826 VanDerWaalsContact CD2-OH 3.28Å; L794-Y826 WeakPolarHBondContact CD2-OH 3.12Å
795	Q	73.4	Confident	86.5	Confident	140 Å²	140	41.7 Å²	41.7	65%	0.654	23%	0.227	S	C	*	.			trans	53.5	21.1	-173.2	-55.6	-173	0.3	0	0	114.2	Y383 N793	Y383-Q795 HydrophobicContact CD2-CG 4.48Å; Y383-Q795 VanDerWaalsContact CD2-OE1 3.27Å; Y383-Q795 HydrophobicContact CE1-CB 4.28Å; Y383-Q795 HydrophobicContact CE2-CB 4.08Å; Y383-Q795 HydrophobicContact CE2-CG 3.77Å; Y383-Q795 VanDerWaalsContact CE2-OE1 3.3Å; N793-Q795 PolarHBondContact O-N 2.63Å
796	L	78.4	Confident	86.7	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.227	C	C	.	.			trans	-91.8	121	173	-65.5	175.1	0	0	0	108.6	Q775 L794 G798 V800 F814 A816 P822 A824	Q775-L796 PolarHBondContact OE1-O 3.16Å; L794-L796 HydrophobicContact CB-CB 4.4Å; L794-L796 HydrophobicContact CB-CD1 4.1Å; L794-L796 HydrophobicContact CB-CG 4.08Å; L794-L796 HydrophobicContact CD1-CD1 4.17Å; L794-L796 PolarHBondContact O-N 2.9Å; L796-G798 PolarHBondContact O-N 3.16Å; L796-V800 HydrophobicContact CD1-CG1 4.5Å; L796-V800 HydrophobicContact CD1-CG2 3.9Å; L796-F814 HydrophobicContact CD1-CB 4.1Å; L796-A816 HydrophobicContact CB-CB 3.93Å; L796-A816 HydrophobicContact CD1-CB 4.23Å; L796-A816 HydrophobicContact CD2-CB 4.27Å; L796-A816 HydrophobicContact CG-CB 4.37Å; L796-P822 HydrophobicContact CD2-CG 4.16Å; L796-P822 WeakPolarHBondContact CD2-O 3.44Å; L796-A824 HydrophobicContact CD2-CB 4.47Å
797	P	77.2	Confident	86.5	Confident	67 Å²	67	40.7 Å²	40.7	44%	0.435	22%	0.223	S	C	.	.	S	Bend	trans	-79.9	23.3	-170	33.6	-38	0	0	0	114.7
798	G	83.6	Confident	85.9	Confident	14 Å²	14	38.5 Å²	38.5	14%	0.144	22%	0.215	C	C	.	.	S	Bend	trans	175.5	-177.7	-174.2	0	0	0	0	0	113.8	L796 V800 A816 V817	L796-G798 PolarHBondContact O-N 3.16Å; G798-V800 PolarHBondContact O-N 2.92Å; G798-A816 WeakPolarHBondContact O-CB 3.42Å; G798-V817 WeakPolarHBondContact CA-O 3.32Å
799	S	89.4	Confident	85.6	Confident	22 Å²	22	39.5 Å²	39.5	15%	0.154	22%	0.217	C	C	.	.			trans	-54.4	131.9	-173.6	-46.8	0	0	0	0	113.1	T801 A816 V817	S799-T801 PolarHBondContact O-N 2.97Å; S799-A816 WeakPolarHBondContact O-CA 3.41Å; S799-A816 VanDerWaalsContact O-CB 3.32Å; S799-A816 WeakPolarHBondContact O-CB 3.45Å; S799-V817 PolarHBondContact O-N 3.01Å; S799-V817 VanDerWaalsContact O-N 3.14Å
800	V	92.2	Very high	85.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.			trans	-80.3	92.3	-176.6	-173.9	0	0	0	0	110.3	G771 S772 V777 L794 L796 G798 I803 F814 A815	G771-V800 WeakPolarHBondContact CA-O 3.48Å; S772-V800 PolarHBondContact O-N 3.03Å; V777-V800 HydrophobicContact CG2-CB 4.27Å; V777-V800 HydrophobicContact CG2-CG1 3.75Å; V777-V800 HydrophobicContact CG2-CG2 4.2Å; L794-V800 HydrophobicContact CD1-CG2 4.41Å; L796-V800 HydrophobicContact CD1-CG1 4.5Å; L796-V800 HydrophobicContact CD1-CG2 3.9Å; G798-V800 PolarHBondContact O-N 2.92Å; V800-I803 HydrophobicContact CG1-CG1 4.42Å; V800-F814 HydrophobicContact CG1-CB 4.29Å; V800-A815 CarbonylContact C-O 3.08Å; V800-A815 WeakPolarHBondContact CA-O 3.24Å; V800-A815 WeakPolarHBondContact CG1-O 3.41Å
801	T	92	Very high	85.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.			trans	-65.6	-41.7	-173.1	50.4	0	0	0	0	114.2	A416 L757 R758 S799 A815 V817	A416-T801 PolarHBondContact O-OG1 3.12Å; L757-T801 CarbonylContact C-O 3.57Å; L757-T801 WeakPolarHBondContact CA-O 3.43Å; R758-T801 PolarHBondContact N-O 3.3Å; S799-T801 PolarHBondContact O-N 2.97Å; T801-A815 PolarHBondContact N-O 2.73Å; T801-A815 PolarHBondContact OG1-O 3.35Å; T801-V817 HydrophobicContact CG2-CB 4.48Å; T801-V817 HydrophobicContact CG2-CG2 3.26Å
802	S	93.5	Very high	85.6	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	134.7	-166.3	-168.1	0	0	0	0	111.6	L419 A815	L419-S802 PolarHBondContact N-OG 3Å; S802-A815 PolarHBondContact N-O 2.9Å; S802-A815 PolarHBondContact O-N 3.11Å
803	I	94.9	Very high	85.9	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.9	174.4	-58.5	-169.1	0	0	0	108.5	R758 C760 F769 G771 V777 V800 I812 A813 F814	R758-I803 PolarHBondContact O-N 2.57Å; C760-I803 HydrophobicContact CB-CB 4.14Å; C760-I803 HydrophobicContact CB-CG2 3.9Å; F769-I803 HydrophobicContact CB-CD1 4.05Å; F769-I803 HydrophobicContact CB-CG2 4.09Å; G771-I803 VanDerWaalsContact N-CD1 3.26Å; V777-I803 HydrophobicContact CB-CD1 4.41Å; V777-I803 HydrophobicContact CG1-CD1 3.54Å; V777-I803 HydrophobicContact CG2-CD1 3.95Å; V800-I803 HydrophobicContact CG1-CG1 4.42Å; I803-I812 HydrophobicContact CG2-CD1 3.6Å; I803-I812 HydrophobicContact CG2-CG1 3.73Å; I803-A813 WeakPolarHBondContact CA-O 3.32Å; I803-F814 HydrophobicContact CB-CD1 4.41Å; I803-F814 HydrophobicContact CD1-CD1 4.03Å; I803-F814 HydrophobicContact CD1-CE1 4Å; I803-F814 HydrophobicContact CG1-CD1 3.89Å; I803-F814 HydrophobicContact CG1-CE1 4.29Å; I803-F814 HydrophobicContact CG2-CD1 4.02Å; I803-F814 HydrophobicContact CG2-CE1 3.96Å
804	S	94.6	Very high	86.7	Confident	16 Å²	16	24.2 Å²	24.2	11%	0.112	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	119.2	169.8	-163.4	0	0	0	0	109.6	F421 A813	F421-S804 WeakPolarHBondContact CE2-O 3.35Å; F421-S804 PolarHBondContact N-OG 3.05Å; S804-A813 PolarHBondContact N-O 3.15Å; S804-A813 PolarHBondContact O-N 2.85Å
805	Y	93	Very high	87.4	Confident	14 Å²	14	24 Å²	24	6%	0.055	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.2	171.6	-157.1	-71.4	0	0	0	109.1	R375 P377 P763 F769 N810 I812	R375-Y805 PolarHBondContact O-OH 2.9Å; P377-Y805 HydrophobicContact CG-CE2 4.35Å; P763-Y805 HydrophobicContact CG-CD1 3.73Å; P763-Y805 HydrophobicContact CG-CE1 4.24Å; F769-Y805 HydrophobicContact CD2-CD2 4.17Å; F769-Y805 AromaticContact CE2-CD2 3.67Å; F769-Y805 HydrophobicContact CE2-CD2 3.67Å; F769-Y805 AromaticContact CE2-CE2 3.71Å; F769-Y805 HydrophobicContact CE2-CE2 3.71Å; F769-Y805 HydrophobicContact CZ-CD2 4.15Å; F769-Y805 AromaticContact CZ-CE2 3.85Å; F769-Y805 HydrophobicContact CZ-CE2 3.85Å; Y805-N810 WeakPolarHBondContact OH-CA 3.37Å; Y805-N810 PolarHBondContact OH-OD1 2.79Å; Y805-I812 HydrophobicContact CD2-CB 4.26Å; Y805-I812 HydrophobicContact CD2-CD1 3.83Å; Y805-I812 HydrophobicContact CD2-CG1 4.16Å
806	H	90.5	Very high	88.2	Confident	6 Å²	6	17.3 Å²	17.3	3%	0.028	10%	0.103	C	C	.	.			trans	-72.4	132.9	-178.7	176.5	-94.2	0	0	0	111	F421 G425 F462 M808 D809 V811	F421-H806 AromaticContact CD1-CD2 3.81Å; F421-H806 HydrophobicContact CD2-CB 4.08Å; F421-H806 AromaticContact CE1-CD2 3.87Å; F421-H806 HydrophobicContact CE2-CB 3.98Å; F421-H806 HydrophobicContact CG-CB 4.42Å; F421-H806 HydrophobicContact CZ-CB 4.23Å; G425-H806 VanDerWaalsContact CA-NE2 3.26Å; G425-H806 WeakPolarHBondContact CA-NE2 3.24Å; G425-H806 PolarHBondContact O-NE2 3.48Å; F462-H806 AromaticContact CD1-CD2 3.95Å; F462-H806 AromaticContact CD1-NE2 3.63Å; F462-H806 AromaticContact CE1-NE2 3.72Å; H806-M808 VanDerWaalsContact C-N 3.3Å; H806-M808 PolarHBondContact O-N 2.97Å; H806-D809 PolarHBondContact CE1-N 3.38Å; H806-D809 IonicContact CE1-OD2 3.34Å; H806-D809 PolarHBondContact CE1-OD2 3.33Å; H806-D809 PolarHBondContact ND1-N 3.47Å; H806-D809 PolarHBondContact ND1-O 2.93Å; H806-D809 IonicContact ND1-OD2 3.4Å; H806-V811 HydrophobicContact CB-CB 3.81Å; H806-V811 HydrophobicContact CB-CG1 4.48Å; H806-V811 VanDerWaalsContact CB-O 3.28Å; H806-V811 WeakPolarHBondContact CB-O 3.45Å; H806-V811 PolarHBondContact N-O 3.29Å
807	P	84.7	Confident	88.5	Confident	34 Å²	34	19 Å²	19	22%	0.221	11%	0.113	C	C	.	.	S	Bend	trans	-71	-19.6	-163.2	27.1	-36.2	0	0	0	115.1	S422	S422-P807 WeakPolarHBondContact O-CG 3.21Å
808	M	77.9	Confident	88.4	Confident	46 Å²	46	16.2 Å²	16.2	23%	0.227	10%	0.097	C	C	.	.	S	Bend	trans	-111.1	-68.2	-175.2	-58.5	-64.1	146.1	0	0	111.7	R368 H806	R368-M808 VanDerWaalsContact CA-SD 3.59Å; R368-M808 HydrophobicContact CB-SD 3.61Å; R368-M808 PolarHBondContact N-SD 2.8Å; H806-M808 VanDerWaalsContact C-N 3.3Å; H806-M808 PolarHBondContact O-N 2.97Å
809	D	81.3	Confident	87.7	Confident	94 Å²	94	19.9 Å²	19.9	50%	0.503	12%	0.118	S	C	.	.	S	Bend	trans	-77.9	159.3	177.7	-57	-60.2	0	0	0	114	H806 V811	H806-D809 PolarHBondContact CE1-N 3.38Å; H806-D809 IonicContact CE1-OD2 3.34Å; H806-D809 PolarHBondContact CE1-OD2 3.33Å; H806-D809 PolarHBondContact ND1-N 3.47Å; H806-D809 PolarHBondContact ND1-O 2.93Å; H806-D809 IonicContact ND1-OD2 3.4Å; D809-V811 HydrophobicContact CB-CG2 3.99Å; D809-V811 PolarHBondContact O-N 3.31Å
810	N	85.4	Confident	86.7	Confident	26 Å²	26	21.9 Å²	21.9	14%	0.139	13%	0.127	C	C	.	.	S	Bend	trans	-76.6	69.9	175.4	-62.6	-64.6	0	0	0	111.6	C374 R375 Y805 A827 Y828	C374-N810 WeakPolarHBondContact CA-OD1 3.39Å; R375-N810 PolarHBondContact N-OD1 2.97Å; Y805-N810 WeakPolarHBondContact OH-CA 3.37Å; Y805-N810 PolarHBondContact OH-OD1 2.79Å; N810-A827 WeakPolarHBondContact O-CA 3.24Å; N810-Y828 PolarHBondContact O-N 3.07Å
811	V	87.5	Confident	86	Confident	10 Å²	10	22 Å²	22	6%	0.061	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.1	-177.7	-178	0	0	0	0	109.3	F462 H806 D809 I825 Y826 A827	F462-V811 HydrophobicContact CE2-CG1 4.13Å; F462-V811 HydrophobicContact CZ-CB 4.4Å; F462-V811 HydrophobicContact CZ-CG1 3.91Å; F462-V811 HydrophobicContact CZ-CG2 4.09Å; H806-V811 HydrophobicContact CB-CB 3.81Å; H806-V811 HydrophobicContact CB-CG1 4.48Å; H806-V811 VanDerWaalsContact CB-O 3.28Å; H806-V811 WeakPolarHBondContact CB-O 3.45Å; H806-V811 PolarHBondContact N-O 3.29Å; D809-V811 HydrophobicContact CB-CG2 3.99Å; D809-V811 PolarHBondContact O-N 3.31Å; V811-I825 HydrophobicContact CG1-CG2 3.7Å; V811-Y826 CarbonylContact C-O 3.58Å; V811-Y826 VanDerWaalsContact CA-O 3.31Å; V811-Y826 WeakPolarHBondContact CA-O 3.3Å; V811-Y826 WeakPolarHBondContact CG1-O 3.5Å; V811-A827 HydrophobicContact CG2-CB 3.89Å
812	I	91.7	Very high	85.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.7	-179.6	-162.5	169.3	0	0	0	110.3	P377 F769 I803 Y805 F814 I825 Y826	P377-I812 HydrophobicContact CB-CG2 3.91Å; P377-I812 HydrophobicContact CG-CB 4.14Å; P377-I812 HydrophobicContact CG-CG2 3.71Å; F769-I812 HydrophobicContact CB-CD1 4.06Å; F769-I812 HydrophobicContact CD1-CD1 3.31Å; F769-I812 HydrophobicContact CD2-CD1 3.89Å; F769-I812 HydrophobicContact CE1-CD1 3.61Å; F769-I812 HydrophobicContact CE2-CD1 4.16Å; F769-I812 HydrophobicContact CG-CD1 3.47Å; F769-I812 VanDerWaalsContact CG-CD1 3.47Å; F769-I812 HydrophobicContact CZ-CD1 4.04Å; I803-I812 HydrophobicContact CG2-CD1 3.6Å; I803-I812 HydrophobicContact CG2-CG1 3.73Å; Y805-I812 HydrophobicContact CD2-CB 4.26Å; Y805-I812 HydrophobicContact CD2-CD1 3.83Å; Y805-I812 HydrophobicContact CD2-CG1 4.16Å; I812-F814 HydrophobicContact CB-CE1 4.46Å; I812-F814 HydrophobicContact CD1-CE1 3.64Å; I812-F814 HydrophobicContact CD1-CZ 4.2Å; I812-F814 HydrophobicContact CG1-CD1 4.36Å; I812-F814 HydrophobicContact CG1-CE1 3.73Å; I812-F814 HydrophobicContact CG1-CZ 4.38Å; I812-F814 HydrophobicContact CG2-CE1 3.96Å; I812-F814 HydrophobicContact CG2-CE2 4.46Å; I812-F814 HydrophobicContact CG2-CZ 3.76Å; I812-I825 WeakPolarHBondContact O-CA 3.31Å; I812-Y826 PolarHBondContact N-O 2.8Å; I812-Y826 PolarHBondContact O-N 3.48Å
813	A	91.8	Very high	85.2	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.6	177.8	0	0	0	0	0	110.8	L419 F421 L428 I803 S804 I823 A824 I825	L419-A813 HydrophobicContact CD1-CB 3.99Å; L419-A813 WeakPolarHBondContact CD1-O 3.39Å; F421-A813 HydrophobicContact CE2-CB 3.81Å; F421-A813 HydrophobicContact CZ-CB 4.02Å; L428-A813 HydrophobicContact CD2-CB 4.14Å; I803-A813 WeakPolarHBondContact CA-O 3.32Å; S804-A813 PolarHBondContact N-O 3.15Å; S804-A813 PolarHBondContact O-N 2.85Å; A813-I823 HydrophobicContact CB-CG2 4.48Å; A813-A824 WeakPolarHBondContact CA-O 3.28Å; A813-I825 HydrophobicContact CB-CG1 4.18Å
814	F	92.4	Very high	84.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.2	179.6	-53	-40.8	0	0	0	111.1	V777 Y791 L794 L796 V800 I803 I812 I823 A824 Y826	V777-F814 HydrophobicContact CB-CE1 4.36Å; V777-F814 HydrophobicContact CB-CE2 4.49Å; V777-F814 HydrophobicContact CB-CZ 4.19Å; V777-F814 HydrophobicContact CG1-CE1 3.82Å; V777-F814 HydrophobicContact CG1-CZ 3.87Å; V777-F814 HydrophobicContact CG2-CD1 4.06Å; V777-F814 HydrophobicContact CG2-CD2 4.28Å; V777-F814 HydrophobicContact CG2-CE1 4.07Å; V777-F814 HydrophobicContact CG2-CE2 4.3Å; V777-F814 HydrophobicContact CG2-CG 4.17Å; V777-F814 HydrophobicContact CG2-CZ 4.2Å; Y791-F814 HydrophobicContact CD2-CE2 4.25Å; Y791-F814 AromaticContact CD2-CZ 3.93Å; Y791-F814 HydrophobicContact CD2-CZ 3.93Å; Y791-F814 AromaticContact CE2-CZ 3.89Å; Y791-F814 HydrophobicContact CE2-CZ 3.89Å; Y791-F814 HydrophobicContact CG-CE2 4.3Å; Y791-F814 HydrophobicContact CG-CZ 4.43Å; L794-F814 HydrophobicContact CD1-CD2 4.31Å; L794-F814 HydrophobicContact CD2-CD2 4.12Å; L794-F814 HydrophobicContact CD2-CE2 4.14Å; L796-F814 HydrophobicContact CD1-CB 4.1Å; V800-F814 HydrophobicContact CG1-CB 4.29Å; I803-F814 HydrophobicContact CB-CD1 4.41Å; I803-F814 HydrophobicContact CD1-CD1 4.03Å; I803-F814 HydrophobicContact CD1-CE1 4Å; I803-F814 HydrophobicContact CG1-CD1 3.89Å; I803-F814 HydrophobicContact CG1-CE1 4.29Å; I803-F814 HydrophobicContact CG2-CD1 4.02Å; I803-F814 HydrophobicContact CG2-CE1 3.96Å; I812-F814 HydrophobicContact CB-CE1 4.46Å; I812-F814 HydrophobicContact CD1-CE1 3.64Å; I812-F814 HydrophobicContact CD1-CZ 4.2Å; I812-F814 HydrophobicContact CG1-CD1 4.36Å; I812-F814 HydrophobicContact CG1-CE1 3.73Å; I812-F814 HydrophobicContact CG1-CZ 4.38Å; I812-F814 HydrophobicContact CG2-CE1 3.96Å; I812-F814 HydrophobicContact CG2-CE2 4.46Å; I812-F814 HydrophobicContact CG2-CZ 3.76Å; F814-I823 WeakPolarHBondContact O-CG2 3.39Å; F814-A824 HydrophobicContact CB-CB 4.45Å; F814-A824 HydrophobicContact CD2-CB 4.44Å; F814-A824 PolarHBondContact N-O 3.2Å; F814-A824 PolarHBondContact O-N 2.81Å; F814-A824 VanDerWaalsContact O-N 3.16Å; F814-Y826 AromaticContact CD2-CD2 3.89Å; F814-Y826 HydrophobicContact CD2-CD2 3.89Å; F814-Y826 AromaticContact CD2-CE2 3.97Å; F814-Y826 HydrophobicContact CD2-CE2 3.97Å; F814-Y826 AromaticContact CE2-CD2 3.52Å; F814-Y826 HydrophobicContact CE2-CD2 3.52Å; F814-Y826 AromaticContact CE2-CE2 3.77Å; F814-Y826 HydrophobicContact CE2-CE2 3.77Å; F814-Y826 HydrophobicContact CE2-CG 4.37Å; F814-Y826 HydrophobicContact CZ-CD2 4.48Å
815	A	91.1	Very high	84.4	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.4	173.9	0	0	0	0	0	110.8	A416 L419 V800 T801 S802	A416-A815 HydrophobicContact CB-CB 3.65Å; L419-A815 HydrophobicContact CD1-CB 3.65Å; L419-A815 HydrophobicContact CD2-CB 4.07Å; L419-A815 HydrophobicContact CG-CB 3.66Å; V800-A815 CarbonylContact C-O 3.08Å; V800-A815 WeakPolarHBondContact CA-O 3.24Å; V800-A815 WeakPolarHBondContact CG1-O 3.41Å; T801-A815 PolarHBondContact N-O 2.73Å; T801-A815 PolarHBondContact OG1-O 3.35Å; S802-A815 PolarHBondContact N-O 2.9Å; S802-A815 PolarHBondContact O-N 3.11Å
816	A	89	Confident	84.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.			trans	-136	158.8	176.8	0	0	0	0	0	112.5	G415 A416 L796 G798 S799	G415-A816 WeakPolarHBondContact CA-O 3.31Å; A416-A816 PolarHBondContact N-O 3.12Å; A416-A816 CarbonylContact O-C 3.56Å; L796-A816 HydrophobicContact CB-CB 3.93Å; L796-A816 HydrophobicContact CD1-CB 4.23Å; L796-A816 HydrophobicContact CD2-CB 4.27Å; L796-A816 HydrophobicContact CG-CB 4.37Å; G798-A816 WeakPolarHBondContact O-CB 3.42Å; S799-A816 WeakPolarHBondContact O-CA 3.41Å; S799-A816 VanDerWaalsContact O-CB 3.32Å; S799-A816 WeakPolarHBondContact O-CB 3.45Å
817	V	84.6	Confident	83.7	Confident	39 Å²	39	23.1 Å²	23.1	24%	0.236	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-73.3	141	161.9	-163.7	0	0	0	0	108.5	S414 G798 S799 T801	S414-V817 WeakPolarHBondContact O-CG1 3.27Å; G798-V817 WeakPolarHBondContact CA-O 3.32Å; S799-V817 PolarHBondContact O-N 3.01Å; S799-V817 VanDerWaalsContact O-N 3.14Å; T801-V817 HydrophobicContact CG2-CB 4.48Å; T801-V817 HydrophobicContact CG2-CG2 3.26Å
818	G	76.3	Confident	83.5	Confident	9 Å²	9	24.2 Å²	24.2	9%	0.093	14%	0.136	C	C	.	.	S	Bend	trans	157.1	155.5	168.9	0	0	0	0	0	113.2	S414 G415 D820 S821	S414-G818 CarbonylContact C-O 3.55Å; S414-G818 PolarHBondContact O-N 2.94Å; G415-G818 PolarHBondContact N-O 2.8Å; G415-G818 VanDerWaalsContact N-O 3.11Å; G818-D820 PolarHBondContact O-N 3.41Å; G818-D820 VanDerWaalsContact O-N 3.14Å; G818-S821 PolarHBondContact O-N 3.25Å
819	P	68.6	Low	83.3	Confident	92 Å²	92	25 Å²	25	60%	0.597	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	120	175.5	25.6	-33.3	0	0	0	110	S413 S821	S413-P819 WeakPolarHBondContact O-CA 3.47Å; P819-S821 PolarHBondContact O-N 3.43Å; P819-S821 VanDerWaalsContact O-N 3.08Å
820	D	68	Low	82.7	Confident	64 Å²	64	24.6 Å²	24.6	34%	0.342	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	26.6	178.2	-54.4	-48.7	0	0	0	115.3	S413 G818	S413-D820 PolarHBondContact N-OD1 3.09Å; S413-D820 PolarHBondContact O-N 2.98Å; S413-D820 VanDerWaalsContact O-N 3.08Å; G818-D820 PolarHBondContact O-N 3.41Å; G818-D820 VanDerWaalsContact O-N 3.14Å
821	S	77.8	Confident	81.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-52.3	132.8	177.9	-176.4	0	0	0	0	111.9	T387 G818 P819	T387-S821 VanDerWaalsContact CG2-O 3.32Å; T387-S821 WeakPolarHBondContact CG2-O 3.47Å; T387-S821 PolarHBondContact OG1-O 2.76Å; G818-S821 PolarHBondContact O-N 3.25Å; P819-S821 PolarHBondContact O-N 3.43Å; P819-S821 VanDerWaalsContact O-N 3.08Å
822	P	82.3	Confident	80.4	Confident	24 Å²	24	31 Å²	31	16%	0.156	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	171.8	170.8	33.7	-34.5	0	0	0	111.1	I385 L796	I385-P822 WeakPolarHBondContact O-CA 3.27Å; L796-P822 HydrophobicContact CD2-CG 4.16Å; L796-P822 WeakPolarHBondContact CD2-O 3.44Å
823	I	85.7	Confident	78.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.2	159.1	-52.6	167.9	0	0	0	107.1	I385 T387 L428 V430 Y460 A813 F814 I825	I385-I823 HydrophobicContact CB-CB 4.26Å; I385-I823 HydrophobicContact CB-CD1 4.33Å; I385-I823 HydrophobicContact CG2-CD1 3.98Å; I385-I823 PolarHBondContact O-N 2.96Å; T387-I823 HydrophobicContact CG2-CG1 4.42Å; L428-I823 HydrophobicContact CD2-CG2 4.5Å; V430-I823 HydrophobicContact CB-CD1 4.36Å; V430-I823 HydrophobicContact CG1-CD1 3.88Å; V430-I823 HydrophobicContact CG2-CD1 3.63Å; Y460-I823 HydrophobicContact CE2-CD1 4.2Å; A813-I823 HydrophobicContact CB-CG2 4.48Å; F814-I823 WeakPolarHBondContact O-CG2 3.39Å; I823-I825 HydrophobicContact CG2-CD1 4.08Å; I823-I825 HydrophobicContact CG2-CG1 4.42Å
824	A	86.3	Confident	76.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	135	175.4	0	0	0	0	0	110.3	L380 Y383 L796 A813 F814 Y826	L380-A824 HydrophobicContact CD1-CB 4.26Å; Y383-A824 HydrophobicContact CD1-CB 3.83Å; Y383-A824 HydrophobicContact CE1-CB 3.78Å; L796-A824 HydrophobicContact CD2-CB 4.47Å; A813-A824 WeakPolarHBondContact CA-O 3.28Å; F814-A824 HydrophobicContact CB-CB 4.45Å; F814-A824 HydrophobicContact CD2-CB 4.44Å; F814-A824 PolarHBondContact N-O 3.2Å; F814-A824 PolarHBondContact O-N 2.81Å; F814-A824 VanDerWaalsContact O-N 3.16Å; A824-Y826 HydrophobicContact CB-CE2 4.29Å
825	I	86.9	Confident	74.2	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.4	179.9	-61	104.5	0	0	0	110.9	V381 G382 I385 F464 V811 I812 A813 I823	V381-I825 PolarHBondContact N-O 3.36Å; G382-I825 PolarHBondContact N-O 3.03Å; G382-I825 PolarHBondContact O-N 3.41Å; G382-I825 VanDerWaalsContact O-N 3.15Å; I385-I825 HydrophobicContact CD1-CD1 3.63Å; I385-I825 HydrophobicContact CG1-CD1 4.24Å; F464-I825 HydrophobicContact CD2-CD1 4.11Å; F464-I825 HydrophobicContact CD2-CG1 4.5Å; F464-I825 HydrophobicContact CE2-CB 4.39Å; F464-I825 HydrophobicContact CE2-CD1 3.58Å; F464-I825 HydrophobicContact CE2-CG1 3.71Å; F464-I825 HydrophobicContact CE2-CG2 4.28Å; F464-I825 HydrophobicContact CZ-CD1 4.17Å; F464-I825 HydrophobicContact CZ-CG1 4.4Å; V811-I825 HydrophobicContact CG1-CG2 3.7Å; I812-I825 WeakPolarHBondContact O-CA 3.31Å; A813-I825 HydrophobicContact CB-CG1 4.18Å; I823-I825 HydrophobicContact CG2-CD1 4.08Å; I823-I825 HydrophobicContact CG2-CG1 4.42Å
826	Y	85.8	Confident	72.3	Confident	22 Å²	22	48.8 Å²	48.8	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.1	175.8	-71.9	-103.9	0	0	0	110.9	I379 L380 Y383 Y791 L794 V811 I812 F814 A824	I379-Y826 CarbonylContact O-C 3.08Å; I379-Y826 VanDerWaalsContact O-CA 3.24Å; I379-Y826 WeakPolarHBondContact O-CA 3.39Å; L380-Y826 HydrophobicContact CB-CD1 4.18Å; L380-Y826 HydrophobicContact CB-CE1 3.85Å; L380-Y826 HydrophobicContact CD1-CD2 3.97Å; L380-Y826 HydrophobicContact CD1-CE1 4.29Å; L380-Y826 HydrophobicContact CD1-CE2 3.5Å; L380-Y826 VanDerWaalsContact CD1-CE2 3.5Å; Y383-Y826 PolarHBondContact OH-OH 2.99Å; Y791-Y826 HydrophobicContact CD1-CD1 4.34Å; Y791-Y826 HydrophobicContact CD1-CE1 4.2Å; Y791-Y826 HydrophobicContact CE1-CD1 4.14Å; Y791-Y826 HydrophobicContact CE1-CE1 4.44Å; Y791-Y826 HydrophobicContact CE1-CG 4.47Å; L794-Y826 HydrophobicContact CD2-CE2 3.65Å; L794-Y826 VanDerWaalsContact CD2-OH 3.28Å; L794-Y826 WeakPolarHBondContact CD2-OH 3.12Å; V811-Y826 CarbonylContact C-O 3.58Å; V811-Y826 VanDerWaalsContact CA-O 3.31Å; V811-Y826 WeakPolarHBondContact CA-O 3.3Å; V811-Y826 WeakPolarHBondContact CG1-O 3.5Å; I812-Y826 PolarHBondContact N-O 2.8Å; I812-Y826 PolarHBondContact O-N 3.48Å; F814-Y826 AromaticContact CD2-CD2 3.89Å; F814-Y826 HydrophobicContact CD2-CD2 3.89Å; F814-Y826 AromaticContact CD2-CE2 3.97Å; F814-Y826 HydrophobicContact CD2-CE2 3.97Å; F814-Y826 AromaticContact CE2-CD2 3.52Å; F814-Y826 HydrophobicContact CE2-CD2 3.52Å; F814-Y826 AromaticContact CE2-CE2 3.77Å; F814-Y826 HydrophobicContact CE2-CE2 3.77Å; F814-Y826 HydrophobicContact CE2-CG 4.37Å; F814-Y826 HydrophobicContact CZ-CD2 4.48Å; A824-Y826 HydrophobicContact CB-CE2 4.29Å
827	A	82.8	Confident	70.2	Confident	19 Å²	19	50.4 Å²	50.4	16%	0.157	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157	169.1	0	0	0	0	0	111	N378 I379 V381 N810 V811	N378-A827 PolarHBondContact N-O 3.35Å; N378-A827 PolarHBondContact OD1-O 3.24Å; I379-A827 PolarHBondContact N-O 3.13Å; I379-A827 PolarHBondContact O-N 3.38Å; V381-A827 HydrophobicContact CG2-CB 3.4Å; N810-A827 WeakPolarHBondContact O-CA 3.24Å; V811-A827 HydrophobicContact CG2-CB 3.89Å
828	Y	80	Confident	67.8	Low	58 Å²	58	53 Å²	53	23%	0.227	28%	0.283	C	S	.	.			trans	-80	129.5	173.7	174.6	-102.9	0	0	0	112.3	R375 I376 N810 I830	R375-Y828 HydrophobicContact CB-CD1 4.12Å; R375-Y828 HydrophobicContact CB-CD2 3.76Å; R375-Y828 HydrophobicContact CB-CE1 4.35Å; R375-Y828 HydrophobicContact CB-CE2 4Å; R375-Y828 HydrophobicContact CB-CG 3.8Å; R375-Y828 HydrophobicContact CG-CE1 4.45Å; R375-Y828 PolarHBondContact NH1-OH 2.7Å; I376-Y828 WeakPolarHBondContact O-CD2 3.46Å; N810-Y828 PolarHBondContact O-N 3.07Å; Y828-I830 HydrophobicContact CE1-CG1 3.56Å
829	N	73.7	Confident	66.1	Low	61 Å²	61	55.2 Å²	55.2	33%	0.326	30%	0.297	S	S	.	.			trans	-132	128.9	168.3	-169.2	-25.4	0	0	0	111.2	N378 I379 K831 A832 N833	N378-N829 PolarHBondContact ND2-O 3.17Å; N378-N829 PolarHBondContact OD1-N 3.16Å; N378-N829 PolarHBondContact OD1-O 2.73Å; I379-N829 HydrophobicContact CB-CB 4.41Å; I379-N829 HydrophobicContact CD1-CB 3.39Å; I379-N829 VanDerWaalsContact CD1-ND2 3.27Å; I379-N829 WeakPolarHBondContact CD1-ND2 3.29Å; I379-N829 HydrophobicContact CG1-CB 3.78Å; N829-K831 VanDerWaalsContact C-N 3.34Å; N829-K831 PolarHBondContact O-N 2.9Å; N829-K831 PolarHBondContact OD1-N 3.29Å; N829-A832 HydrophobicContact CB-CB 4.39Å; N829-N833 PolarHBondContact O-N 3.31Å
830	I	69.4	Low	64.9	Low	87 Å²	87	56 Å²	56	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-43.2	177.6	-56.4	171.6	0	0	0	110.9	Y828 N833 Q834	Y828-I830 HydrophobicContact CE1-CG1 3.56Å; I830-N833 WeakPolarHBondContact O-CB 3.31Å; I830-N833 PolarHBondContact O-N 2.87Å; I830-Q834 WeakPolarHBondContact O-CG 3.13Å; I830-Q834 PolarHBondContact O-N 2.85Å
831	K	63.5	Low	63.5	Low	150 Å²	150	57 Å²	57	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-66.2	-41	-175.1	-65.6	-172.3	176.7	-173.7	0	112.4	N829 N833 Q834 L835	N829-K831 VanDerWaalsContact C-N 3.34Å; N829-K831 PolarHBondContact O-N 2.9Å; N829-K831 PolarHBondContact OD1-N 3.29Å; K831-N833 VanDerWaalsContact C-N 3.32Å; K831-Q834 PolarHBondContact O-N 2.82Å; K831-L835 WeakPolarHBondContact O-CB 3.24Å; K831-L835 VanDerWaalsContact O-CG 3.31Å; K831-L835 WeakPolarHBondContact O-CG 3.39Å; K831-L835 PolarHBondContact O-N 3.27Å
832	A	61.1	Low	61.9	Low	20 Å²	20	60.9 Å²	60.9	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-40.9	174.4	0	0	0	0	0	111.3	I379 N829 Q834 L835 T836	I379-A832 HydrophobicContact CD1-CB 3.72Å; I379-A832 HydrophobicContact CG1-CB 3.41Å; I379-A832 VanDerWaalsContact CG1-CB 3.41Å; N829-A832 HydrophobicContact CB-CB 4.39Å; A832-Q834 VanDerWaalsContact C-N 3.32Å; A832-Q834 PolarHBondContact O-N 2.94Å; A832-L835 PolarHBondContact O-N 3.37Å; A832-L835 VanDerWaalsContact O-N 3.17Å; A832-T836 PolarHBondContact O-N 2.8Å; A832-T836 PolarHBondContact O-OG1 3.45Å; A832-T836 VanDerWaalsContact O-OG1 3.05Å
833	N	54.9	Low	59.8	Low	71 Å²	71	65.4 Å²	65.4	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-44.4	177.4	-138.3	81.2	0	0	0	111.7	N378 N829 I830 K831 T836 T837	N378-N833 WeakPolarHBondContact ND2-CB 3.36Å; N378-N833 PolarHBondContact ND2-N 3.11Å; N378-N833 PolarHBondContact ND2-OD1 2.88Å; N829-N833 PolarHBondContact O-N 3.31Å; I830-N833 WeakPolarHBondContact O-CB 3.31Å; I830-N833 PolarHBondContact O-N 2.87Å; K831-N833 VanDerWaalsContact C-N 3.32Å; N833-T836 PolarHBondContact O-N 2.54Å; N833-T837 PolarHBondContact O-N 2.93Å; N833-T837 PolarHBondContact O-OG1 2.8Å; N833-T837 VanDerWaalsContact O-OG1 3.09Å
834	Q	46.5	Very low	57.6	Low	114 Å²	114	72.5 Å²	72.5	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-69.4	170.7	-40	0	0	112	I830 K831 A832 T837 L838	I830-Q834 WeakPolarHBondContact O-CG 3.13Å; I830-Q834 PolarHBondContact O-N 2.85Å; K831-Q834 PolarHBondContact O-N 2.82Å; A832-Q834 VanDerWaalsContact C-N 3.32Å; A832-Q834 PolarHBondContact O-N 2.94Å; Q834-T837 PolarHBondContact O-N 2.88Å; Q834-L838 WeakPolarHBondContact O-CB 3.5Å; Q834-L838 VanDerWaalsContact O-CG 3.28Å; Q834-L838 WeakPolarHBondContact O-CG 3.4Å; Q834-L838 PolarHBondContact O-N 2.96Å
835	L	44.6	Very low	55.4	Low	112 Å²	112	80.3 Å²	80.3	59%	0.586	41%	0.411	S	S	*	.	H	α-helix	trans	-66.6	-37.6	177.3	-74.6	167	0	0	0	112.8	K831 A832 L838 S839	K831-L835 WeakPolarHBondContact O-CB 3.24Å; K831-L835 VanDerWaalsContact O-CG 3.31Å; K831-L835 WeakPolarHBondContact O-CG 3.39Å; K831-L835 PolarHBondContact O-N 3.27Å; A832-L835 PolarHBondContact O-N 3.37Å; A832-L835 VanDerWaalsContact O-N 3.17Å; L835-L838 PolarHBondContact O-N 3.47Å; L835-S839 WeakPolarHBondContact O-CB 3.01Å; L835-S839 PolarHBondContact O-N 3.03Å; L835-S839 PolarHBondContact O-OG 3.14Å
836	T	50.6	Low	52.9	Low	77 Å²	77	87.5 Å²	87.5	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-60.8	-49.3	173.2	-55.4	0	0	0	0	110.4	A832 N833 L838 S839 Q840	A832-T836 PolarHBondContact O-N 2.8Å; A832-T836 PolarHBondContact O-OG1 3.45Å; A832-T836 VanDerWaalsContact O-OG1 3.05Å; N833-T836 PolarHBondContact O-N 2.54Å; T836-L838 PolarHBondContact O-N 3.09Å; T836-S839 WeakPolarHBondContact CA-OG 3.43Å; T836-S839 PolarHBondContact O-N 3.28Å; T836-S839 PolarHBondContact O-OG 3.03Å; T836-Q840 WeakPolarHBondContact O-CG 3.48Å; T836-Q840 PolarHBondContact O-N 3.42Å; T836-Q840 VanDerWaalsContact O-N 3.1Å
837	T	44.8	Very low	50.2	Low	33 Å²	33	93.5 Å²	93.5	20%	0.202	47%	0.474	C	S	.	.	H	α-helix	trans	-57.7	-48.7	175	-50.8	0	0	0	0	111.9	N833 Q834 S839 Q840 N841 W908	N833-T837 PolarHBondContact O-N 2.93Å; N833-T837 PolarHBondContact O-OG1 2.8Å; N833-T837 VanDerWaalsContact O-OG1 3.09Å; Q834-T837 PolarHBondContact O-N 2.88Å; T837-S839 VanDerWaalsContact C-N 3.3Å; T837-S839 PolarHBondContact O-N 3.43Å; T837-Q840 PolarHBondContact O-N 3.17Å; T837-Q840 VanDerWaalsContact O-N 3.15Å; T837-N841 PolarHBondContact O-N 3.31Å; T837-N841 PolarHBondContact O-OD1 3.4Å; T837-W908 HydrophobicContact CG2-CH2 3.82Å; T837-W908 HydrophobicContact CG2-CZ2 3.87Å
838	L	33.7	Very low	47.6	Very low	94 Å²	94	97.1 Å²	97.1	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-60.2	-38.2	177.3	-72	165.9	0	0	0	112.6	Q834 L835 T836 Q840 N841 I842	Q834-L838 WeakPolarHBondContact O-CB 3.5Å; Q834-L838 VanDerWaalsContact O-CG 3.28Å; Q834-L838 WeakPolarHBondContact O-CG 3.4Å; Q834-L838 PolarHBondContact O-N 2.96Å; L835-L838 PolarHBondContact O-N 3.47Å; T836-L838 PolarHBondContact O-N 3.09Å; L838-Q840 VanDerWaalsContact C-N 3.31Å; L838-Q840 PolarHBondContact O-N 3.21Å; L838-N841 PolarHBondContact O-N 3.49Å; L838-I842 WeakPolarHBondContact O-CB 3.39Å; L838-I842 WeakPolarHBondContact O-CD1 3.47Å; L838-I842 VanDerWaalsContact O-CG1 3.23Å; L838-I842 WeakPolarHBondContact O-CG1 3.22Å; L838-I842 PolarHBondContact O-N 3.14Å
839	S	41.4	Very low	45.1	Very low	56 Å²	56	100.2 Å²	100.2	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-25	178.3	68.6	0	0	0	0	113.9	L835 T836 T837 N843	L835-S839 WeakPolarHBondContact O-CB 3.01Å; L835-S839 PolarHBondContact O-N 3.03Å; L835-S839 PolarHBondContact O-OG 3.14Å; T836-S839 WeakPolarHBondContact CA-OG 3.43Å; T836-S839 PolarHBondContact O-N 3.28Å; T836-S839 PolarHBondContact O-OG 3.03Å; T837-S839 VanDerWaalsContact C-N 3.3Å; T837-S839 PolarHBondContact O-N 3.43Å; S839-N843 VanDerWaalsContact O-CG 3.24Å; S839-N843 PolarHBondContact O-N 3.06Å; S839-N843 PolarHBondContact O-ND2 3.39Å
840	Q	42.3	Very low	43.2	Very low	107 Å²	107	107.3 Å²	107.3	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-72.4	-51.6	172.3	-68.6	173.2	-68.9	0	0	109.5	T836 T837 L838 I842 N843 E844	T836-Q840 WeakPolarHBondContact O-CG 3.48Å; T836-Q840 PolarHBondContact O-N 3.42Å; T836-Q840 VanDerWaalsContact O-N 3.1Å; T837-Q840 PolarHBondContact O-N 3.17Å; T837-Q840 VanDerWaalsContact O-N 3.15Å; L838-Q840 VanDerWaalsContact C-N 3.31Å; L838-Q840 PolarHBondContact O-N 3.21Å; Q840-I842 PolarHBondContact O-N 3.37Å; Q840-N843 PolarHBondContact O-N 3.08Å; Q840-N843 VanDerWaalsContact O-N 3.1Å; Q840-E844 PolarHBondContact O-N 3.09Å; Q840-E844 VanDerWaalsContact O-N 3.09Å
841	N	39.1	Very low	41.2	Very low	86 Å²	86	111.2 Å²	111.2	46%	0.46	56%	0.561	S	S	.	*	H	α-helix	trans	-55.7	-45.5	177.1	-62.6	28.3	0	0	0	112.8	T837 L838 N843 E844 E845	T837-N841 PolarHBondContact O-N 3.31Å; T837-N841 PolarHBondContact O-OD1 3.4Å; L838-N841 PolarHBondContact O-N 3.49Å; N841-N843 PolarHBondContact O-N 3.49Å; N841-E844 PolarHBondContact O-N 2.84Å; N841-E844 VanDerWaalsContact O-N 3.17Å; N841-E845 PolarHBondContact O-N 2.91Å
842	I	43.7	Very low	39.6	Very low	83 Å²	83	112.5 Å²	112.5	43%	0.426	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-23.6	-178.7	-69.6	165.3	0	0	0	112.8	L838 Q840 K846	L838-I842 WeakPolarHBondContact O-CB 3.39Å; L838-I842 WeakPolarHBondContact O-CD1 3.47Å; L838-I842 VanDerWaalsContact O-CG1 3.23Å; L838-I842 WeakPolarHBondContact O-CG1 3.22Å; L838-I842 PolarHBondContact O-N 3.14Å; Q840-I842 PolarHBondContact O-N 3.37Å; I842-K846 WeakPolarHBondContact O-CG 3.43Å
843	N	38.4	Very low	38.2	Very low	119 Å²	119	120.4 Å²	120.4	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-85.4	-30	174.9	-72	-12.4	0	0	0	111.9	S839 Q840 N841 K846	S839-N843 VanDerWaalsContact O-CG 3.24Å; S839-N843 PolarHBondContact O-N 3.06Å; S839-N843 PolarHBondContact O-ND2 3.39Å; Q840-N843 PolarHBondContact O-N 3.08Å; Q840-N843 VanDerWaalsContact O-N 3.1Å; N841-N843 PolarHBondContact O-N 3.49Å; N843-K846 PolarHBondContact O-N 3.05Å
844	E	41.2	Very low	36.8	Very low	148 Å²	148	123.5 Å²	123.5	69%	0.692	62%	0.619	S	S	*	*	H	α-helix	trans	-71.1	-34.1	172.6	-69	-179.2	167.9	0	0	111.9	Q840 N841 K846	Q840-E844 PolarHBondContact O-N 3.09Å; Q840-E844 VanDerWaalsContact O-N 3.09Å; N841-E844 PolarHBondContact O-N 2.84Å; N841-E844 VanDerWaalsContact O-N 3.17Å; E844-K846 PolarHBondContact O-N 3.2Å; E844-K846 VanDerWaalsContact O-N 3.17Å
845	E	39.5	Very low	36	Very low	165 Å²	165	124.4 Å²	124.4	77%	0.771	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	2.7	172.4	-70.6	-173.6	148.1	0	0	114.5	N841	N841-E845 PolarHBondContact O-N 2.91Å
846	K	33.3	Very low	35.4	Very low	156 Å²	156	125.7 Å²	125.7	68%	0.678	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	47.5	-174.5	-74.1	-174.3	176.7	178.7	0	114.3	I842 N843 E844	I842-K846 WeakPolarHBondContact O-CG 3.43Å; N843-K846 PolarHBondContact O-N 3.05Å; E844-K846 PolarHBondContact O-N 3.2Å; E844-K846 VanDerWaalsContact O-N 3.17Å
847	L	28.7	Very low	34.3	Very low	147 Å²	147	128.9 Å²	128.9	77%	0.77	65%	0.648	S	S	*	*	S	Bend	trans	-98.1	142.4	159.5	-70.5	169.9	0	0	0	110.1
848	P	29.8	Very low	33.7	Very low	95 Å²	95	136.4 Å²	136.4	62%	0.617	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-73.9	140.1	-166.9	28.8	-35.3	0	0	0	112.7	Y850	P848-Y850 HydrophobicContact CB-CE2 4.36Å; P848-Y850 HydrophobicContact CG-CD2 4.36Å; P848-Y850 HydrophobicContact CG-CE2 3.87Å; P848-Y850 PolarHBondContact O-N 3.21Å
849	V	26	Very low	33.3	Very low	124 Å²	124	140.8 Å²	140.8	75%	0.752	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-66.2	119.9	168.4	178.7	0	0	0	0	108.9	E851	V849-E851 HydrophobicContact CG1-CG 3.81Å
850	Y	34	Very low	33.1	Very low	210 Å²	210	143.3 Å²	143.3	82%	0.824	71%	0.713	S	S	*	*			trans	-108.5	113.4	159.3	-77.8	-83.9	0	0	0	107.4	P848	P848-Y850 HydrophobicContact CB-CE2 4.36Å; P848-Y850 HydrophobicContact CG-CD2 4.36Å; P848-Y850 HydrophobicContact CG-CE2 3.87Å; P848-Y850 PolarHBondContact O-N 3.21Å
851	E	28.9	Very low	32.5	Very low	168 Å²	168	144 Å²	144	79%	0.785	73%	0.727	S	S	*	*			trans	-82.8	131.5	175.5	-67.1	175.9	135.5	0	0	110	V849	V849-E851 HydrophobicContact CG1-CG 3.81Å
852	E	28.3	Very low	31.8	Very low	178 Å²	178	146.8 Å²	146.8	83%	0.832	74%	0.742	S	S	*	*			trans	64.8	150.3	160	-58	-177.4	158.2	0	0	116
853	E	32.7	Very low	31.3	Very low	186 Å²	186	151 Å²	151	87%	0.869	76%	0.763	S	S	*	*			cis	-120.5	160.7	18.4	-61.1	178.6	119	0	0	114.2
854	L	26.1	Very low	30.6	Very low	136 Å²	136	152.5 Å²	152.5	71%	0.712	77%	0.771	S	S	*	*			trans	-74.8	156.6	170.9	-75.2	64.1	0	0	0	111.1
855	N	29.1	Very low	29.9	Very low	132 Å²	132	150.2 Å²	150.2	71%	0.706	78%	0.777	S	S	*	*				177.3	158	105.4	-91.6	-57.5	0	0	0	114
856	N	31.9	Very low	29.3	Very low	139 Å²	139	147 Å²	147	74%	0.743	77%	0.773	S	S	*	*			trans	62.6	88.7	170	-52.5	-22.9	0	0	0	115.1
857	I	28.5	Very low	29.1	Very low	145 Å²	145	147.4 Å²	147.4	74%	0.744	78%	0.777	S	S	*	*				68.6	102	52.1	-48.9	166.7	0	0	0	113.6
858	E	30.9	Very low	29.1	Very low	191 Å²	191	146 Å²	146	89%	0.893	77%	0.774	S	S	*	*				-152.2	162.8	120.5	-109.8	177	-174	0	0	109.1
859	Q	26.6	Very low	29.1	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	78%	0.784	S	S	*	*			trans	-133.5	172.8	-155.9	-104.3	-156.9	10.6	0	0	115.2
860	P	36.4	Very low	29.2	Very low	108 Å²	108	153.7 Å²	153.7	70%	0.701	79%	0.788	S	S	*	*			trans	-89.5	-173.7	-156.9	39	-40.2	0	0	0	114.8
861	P	30.2	Very low	29	Very low	121 Å²	121	150.5 Å²	150.5	79%	0.786	78%	0.779	S	S	*	*				-149.3	-175.8	104.9	41.1	-25	0	0	0	116.8
862	D	24.8	Very low	29.4	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	78%	0.775	S	S	*	*			trans	-53.8	146.2	-176.4	-55.7	-82.4	0	0	0	118.4
863	I	31.5	Very low	29.8	Very low	170 Å²	170	149.9 Å²	149.9	87%	0.872	77%	0.768	S	S	*	*			trans	-136.9	138.2	143.8	-63.4	-172.9	0	0	0	110.7
864	L	25.4	Very low	30.2	Very low	152 Å²	152	144.5 Å²	144.5	80%	0.796	75%	0.745	S	S	*	*			trans	-72.6	135.8	-175.1	-99.3	63.4	0	0	0	116.1
865	A	24.6	Very low	31.2	Very low	100 Å²	100	142.4 Å²	142.4	83%	0.826	74%	0.738	S	S	*	*			trans	29.5	91.3	130.8	0	0	0	0	0	120.9
866	S	27.4	Very low	31.9	Very low	98 Å²	98	142.2 Å²	142.2	69%	0.685	73%	0.733	S	S	*	*			trans	-159.4	144	140.6	72.4	0	0	0	0	108.1
867	H	30.1	Very low	32.7	Very low	163 Å²	163	144 Å²	144	76%	0.755	73%	0.729	S	S	*	*			cis	-134.8	133.4	20.6	-85.4	69.6	0	0	0	111.5
868	V	29.1	Very low	33.8	Very low	118 Å²	118	141.2 Å²	141.2	72%	0.715	72%	0.719	S	S	*	*				58	84.3	103.6	-173.3	0	0	0	0	114.1
869	K	27.9	Very low	34.8	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	71%	0.706	S	S	*	*				69.1	114.1	85.3	-69.9	170.5	179.1	166.5	0	116.4
870	F	28.2	Very low	36.3	Very low	193 Å²	193	134 Å²	134	85%	0.846	69%	0.691	S	S	*	*			trans	-147.3	115.4	135.2	-131.9	-92.8	0	0	0	113.9
871	K	31	Very low	37.2	Very low	143 Å²	143	131.1 Å²	131.1	62%	0.622	68%	0.677	S	S	*	*			trans	43.1	80.4	160.9	-70.6	-172.4	154.4	-140.1	0	120.6	D874	K871-D874 WeakPolarHBondContact CD-OD2 3.32Å; K871-D874 WeakPolarHBondContact CE-OD2 3.2Å; K871-D874 IonicContact NZ-OD1 3.67Å; K871-D874 IonicContact NZ-OD2 2.7Å; K871-D874 PolarHBondContact NZ-OD2 3.17Å
872	Q	37.6	Very low	38.2	Very low	149 Å²	149	130.1 Å²	130.1	70%	0.696	66%	0.663	S	S	*	*	S	Bend	trans	-93.7	-0.9	160.4	-155.3	167.1	-4.2	0	0	113.5	T875	Q872-T875 PolarHBondContact O-OG1 3.35Å
873	R	36	Very low	39.8	Very low	184 Å²	184	126 Å²	126	69%	0.694	65%	0.646	S	S	*	*	H	α-helix	trans	-94.8	-10.1	-167.8	-74.2	-179.1	172.7	166.3	-2.9	116.5	R877	R873-R877 WeakPolarHBondContact O-CD 3.44Å; R873-R877 WeakPolarHBondContact O-CG 3.45Å
874	D	41.3	Very low	40.9	Very low	73 Å²	73	124.1 Å²	124.1	39%	0.39	63%	0.631	S	S	.	*	H	α-helix	trans	-86.7	-27.4	-176.7	-65.3	-25.3	0	0	0	111.6	K871 V878	K871-D874 WeakPolarHBondContact CD-OD2 3.32Å; K871-D874 WeakPolarHBondContact CE-OD2 3.2Å; K871-D874 IonicContact NZ-OD1 3.67Å; K871-D874 IonicContact NZ-OD2 2.7Å; K871-D874 PolarHBondContact NZ-OD2 3.17Å; D874-V878 WeakPolarHBondContact O-CG2 3.28Å; D874-V878 PolarHBondContact O-N 3.08Å
875	T	47.2	Very low	42.1	Very low	92 Å²	92	122 Å²	122	56%	0.564	62%	0.62	S	S	*	*	H	α-helix	trans	-68.1	-50.1	174.3	41.3	0	0	0	0	112.7	Q872 R877 V878 L879	Q872-T875 PolarHBondContact O-OG1 3.35Å; T875-R877 VanDerWaalsContact C-N 3.3Å; T875-R877 PolarHBondContact O-N 3.33Å; T875-V878 PolarHBondContact O-N 2.96Å; T875-L879 PolarHBondContact O-N 3.4Å
876	E	43.2	Very low	43.4	Very low	127 Å²	127	123 Å²	123	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-59.5	-40.8	178	-64.5	176.2	155.2	0	0	111.9	L879 L880	E876-L879 PolarHBondContact O-N 3.08Å; E876-L880 VanDerWaalsContact O-CB 3.29Å; E876-L880 WeakPolarHBondContact O-CB 3.37Å; E876-L880 PolarHBondContact O-N 3.4Å
877	R	48.5	Very low	44.8	Very low	177 Å²	177	122.5 Å²	122.5	67%	0.668	60%	0.604	S	S	*	*	H	α-helix	trans	-66.3	-36.9	177.5	-76.6	176.8	168.5	-177	-6.7	112.6	R873 T875 A881	R873-R877 WeakPolarHBondContact O-CD 3.44Å; R873-R877 WeakPolarHBondContact O-CG 3.45Å; T875-R877 VanDerWaalsContact C-N 3.3Å; T875-R877 PolarHBondContact O-N 3.33Å; R877-A881 WeakPolarHBondContact O-CB 3.35Å; R877-A881 PolarHBondContact O-N 3.22Å
878	V	52.5	Low	45.8	Very low	86 Å²	86	120 Å²	120	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-68.5	-44.5	173.3	169.8	0	0	0	0	110.8	D874 T875 L880 A881 M882	D874-V878 WeakPolarHBondContact O-CG2 3.28Å; D874-V878 PolarHBondContact O-N 3.08Å; T875-V878 PolarHBondContact O-N 2.96Å; V878-L880 PolarHBondContact O-N 2.92Å; V878-A881 PolarHBondContact O-N 3.18Å; V878-M882 HydrophobicContact CG1-CG 4.35Å; V878-M882 HydrophobicContact CG1-SD 3.93Å; V878-M882 WeakPolarHBondContact O-CB 3.39Å; V878-M882 VanDerWaalsContact O-CG 3.29Å; V878-M882 WeakPolarHBondContact O-CG 3.48Å; V878-M882 PolarHBondContact O-N 2.91Å
879	L	51.6	Low	46.8	Very low	121 Å²	121	120.7 Å²	120.7	63%	0.634	60%	0.599	S	S	*	*	H	α-helix	trans	-61.1	-43.1	175.9	-83.7	159	0	0	0	112.7	T875 E876 M882 S883	T875-L879 PolarHBondContact O-N 3.4Å; E876-L879 PolarHBondContact O-N 3.08Å; L879-M882 PolarHBondContact O-N 3.07Å; L879-S883 PolarHBondContact O-N 2.97Å; L879-S883 PolarHBondContact O-OG 3.43Å
880	L	56.7	Low	47.4	Very low	104 Å²	104	118 Å²	118	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-71.8	-29.2	177.2	-163.1	75.1	0	0	0	112.7	E876 V878 S883 K884	E876-L880 VanDerWaalsContact O-CB 3.29Å; E876-L880 WeakPolarHBondContact O-CB 3.37Å; E876-L880 PolarHBondContact O-N 3.4Å; V878-L880 PolarHBondContact O-N 2.92Å; L880-S883 PolarHBondContact O-OG 2.85Å; L880-K884 WeakPolarHBondContact O-CB 3.48Å; L880-K884 VanDerWaalsContact O-CG 3.26Å; L880-K884 WeakPolarHBondContact O-CG 3.45Å; L880-K884 PolarHBondContact O-N 2.86Å
881	A	57	Low	48	Very low	49 Å²	49	114.8 Å²	114.8	41%	0.405	59%	0.589	S	S	.	*	H	α-helix	trans	-73.9	-38.3	172.2	0	0	0	0	0	111.8	R877 V878 K884 L885	R877-A881 WeakPolarHBondContact O-CB 3.35Å; R877-A881 PolarHBondContact O-N 3.22Å; V878-A881 PolarHBondContact O-N 3.18Å; A881-K884 PolarHBondContact O-N 3.08Å; A881-L885 WeakPolarHBondContact O-CB 3.45Å; A881-L885 PolarHBondContact O-N 2.88Å
882	M	50.3	Low	48.3	Very low	100 Å²	100	113.1 Å²	113.1	49%	0.493	60%	0.595	S	S	.	*	H	α-helix	trans	-66.5	-47.5	175.4	-73.6	-179.8	69.5	0	0	111.5	V878 L879 K884 L885 E886	V878-M882 HydrophobicContact CG1-CG 4.35Å; V878-M882 HydrophobicContact CG1-SD 3.93Å; V878-M882 WeakPolarHBondContact O-CB 3.39Å; V878-M882 VanDerWaalsContact O-CG 3.29Å; V878-M882 WeakPolarHBondContact O-CG 3.48Å; V878-M882 PolarHBondContact O-N 2.91Å; L879-M882 PolarHBondContact O-N 3.07Å; M882-K884 VanDerWaalsContact C-N 3.29Å; M882-K884 PolarHBondContact O-N 2.83Å; M882-L885 PolarHBondContact O-N 3.03Å; M882-L885 VanDerWaalsContact O-N 3.14Å; M882-E886 WeakPolarHBondContact O-CG 3.28Å; M882-E886 PolarHBondContact O-N 3.37Å
883	S	58.3	Low	48.2	Very low	60 Å²	60	115.2 Å²	115.2	42%	0.42	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-34	176.6	66.8	0	0	0	0	112.5	L879 L880 S887	L879-S883 PolarHBondContact O-N 2.97Å; L879-S883 PolarHBondContact O-OG 3.43Å; L880-S883 PolarHBondContact O-OG 2.85Å; S883-S887 WeakPolarHBondContact O-CB 3.45Å; S883-S887 PolarHBondContact O-N 3.29Å
884	K	55.5	Low	48.1	Very low	129 Å²	129	111.6 Å²	111.6	56%	0.561	60%	0.603	S	S	*	*	H	α-helix	trans	-67	-41.3	171	-77.5	-178.5	176.8	-173.3	0	112.9	L880 A881 M882 S887 V888	L880-K884 WeakPolarHBondContact O-CB 3.48Å; L880-K884 VanDerWaalsContact O-CG 3.26Å; L880-K884 WeakPolarHBondContact O-CG 3.45Å; L880-K884 PolarHBondContact O-N 2.86Å; A881-K884 PolarHBondContact O-N 3.08Å; M882-K884 VanDerWaalsContact C-N 3.29Å; M882-K884 PolarHBondContact O-N 2.83Å; K884-S887 WeakPolarHBondContact CA-OG 3.08Å; K884-S887 PolarHBondContact O-N 2.89Å; K884-S887 PolarHBondContact O-OG 2.85Å; K884-V888 WeakPolarHBondContact O-CG2 3.31Å; K884-V888 PolarHBondContact O-N 2.95Å
885	L	49.6	Very low	47.5	Very low	109 Å²	109	114.8 Å²	114.8	57%	0.571	62%	0.619	S	S	*	*	H	α-helix	trans	-63.2	-43.3	173.7	-84.8	162.2	0	0	0	112.1	A881 M882 S887 V888 L889	A881-L885 WeakPolarHBondContact O-CB 3.45Å; A881-L885 PolarHBondContact O-N 2.88Å; M882-L885 PolarHBondContact O-N 3.03Å; M882-L885 VanDerWaalsContact O-N 3.14Å; L885-S887 VanDerWaalsContact C-N 3.27Å; L885-S887 PolarHBondContact O-N 2.72Å; L885-V888 PolarHBondContact O-N 3.49Å; L885-L889 WeakPolarHBondContact O-CG 3.4Å; L885-L889 PolarHBondContact O-N 3.01Å
886	E	52.1	Low	46.8	Very low	121 Å²	121	114.9 Å²	114.9	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-65	-30.7	176	-71.2	176.2	166.3	0	0	112.3	M882 N890	M882-E886 WeakPolarHBondContact O-CG 3.28Å; M882-E886 PolarHBondContact O-N 3.37Å; E886-N890 PolarHBondContact O-ND2 3.1Å
887	S	56.6	Low	46	Very low	86 Å²	86	117.8 Å²	117.8	60%	0.601	64%	0.635	S	S	*	*	H	α-helix	trans	-73.7	-23.6	173.9	76.6	0	0	0	0	114.4	S883 K884 L885	S883-S887 WeakPolarHBondContact O-CB 3.45Å; S883-S887 PolarHBondContact O-N 3.29Å; K884-S887 WeakPolarHBondContact CA-OG 3.08Å; K884-S887 PolarHBondContact O-N 2.89Å; K884-S887 PolarHBondContact O-OG 2.85Å; L885-S887 VanDerWaalsContact C-N 3.27Å; L885-S887 PolarHBondContact O-N 2.72Å
888	V	51.5	Low	45.1	Very low	110 Å²	110	118.2 Å²	118.2	67%	0.667	64%	0.638	S	S	*	*	H	α-helix	trans	-86.7	-24.6	179.2	169.4	0	0	0	0	112.3	K884 L885	K884-V888 WeakPolarHBondContact O-CG2 3.31Å; K884-V888 PolarHBondContact O-N 2.95Å; L885-V888 PolarHBondContact O-N 3.49Å
889	L	50	Low	44	Very low	133 Å²	133	119.5 Å²	119.5	70%	0.696	65%	0.648	S	S	*	*	S	Bend	trans	-94.1	-2.7	-172.7	-71.8	168.3	0	0	0	115.3	L885	L885-L889 WeakPolarHBondContact O-CG 3.4Å; L885-L889 PolarHBondContact O-N 3.01Å
890	N	41.3	Very low	42.8	Very low	131 Å²	131	121.5 Å²	121.5	70%	0.701	65%	0.654	S	S	*	*			trans	-120.3	89.6	-173.9	-74	-68.4	0	0	0	113.1	E886	E886-N890 PolarHBondContact O-ND2 3.1Å
891	V	39.5	Very low	41.6	Very low	126 Å²	126	123.3 Å²	123.3	76%	0.764	66%	0.664	S	S	*	*			trans	-114.3	118.1	173.4	177.7	0	0	0	0	110.6
892	S	38.2	Very low	40.3	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	68%	0.678	S	S	*	*			trans	67.2	145.6	173.4	76.1	0	0	0	0	116.3
893	K	35.1	Very low	39.1	Very low	193 Å²	193	129.5 Å²	129.5	84%	0.839	69%	0.691	S	S	*	*			cis	-152.3	174.3	0.2	-120.2	169.6	-179.2	178.1	0	108.5
894	P	34.5	Very low	37.7	Very low	108 Å²	108	134.3 Å²	134.3	70%	0.701	71%	0.707	S	S	*	*				-140.1	-171.2	-119.3	40.1	-17.8	0	0	0	118
895	L	28.1	Very low	36.4	Very low	141 Å²	141	135.5 Å²	135.5	74%	0.738	72%	0.715	S	S	*	*			trans	84.8	95.3	150.2	-82	165.7	0	0	0	122.1	R897	L895-R897 HydrophobicContact CD2-CG 4.25Å
896	A	32	Very low	35.3	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	73%	0.725	S	S	*	*				-159.4	106.7	120.1	0	0	0	0	0	108
897	R	28	Very low	34.1	Very low	187 Å²	187	137.4 Å²	137.4	71%	0.706	73%	0.725	S	S	*	*				53.1	125.9	88	-67.9	-172.7	173.5	-172.8	-0.1	113	L895	L895-R897 HydrophobicContact CD2-CG 4.25Å
898	Y	28.6	Very low	32.6	Very low	187 Å²	187	143.3 Å²	143.3	73%	0.733	73%	0.734	S	S	*	*			cis	-170	179.7	0.9	-97	-44.8	0	0	0	107.4
899	P	30.1	Very low	31.4	Very low	112 Å²	112	147.2 Å²	147.2	73%	0.727	74%	0.736	S	S	*	*			cis	-127.7	-175.5	-35.8	37.8	-20.9	0	0	0	113.1
900	Q	26.5	Very low	30.5	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	75%	0.745	S	S	*	*			trans	-75.7	162.8	-175	-56.7	140.2	-71.5	0	0	115
901	N	30.6	Very low	29.8	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	75%	0.747	S	S	*	*				-170	133.2	108.2	-92	-19	0	0	0	113.7
902	N	29.5	Very low	29.2	Very low	132 Å²	132	148.7 Å²	148.7	71%	0.706	75%	0.745	S	S	*	*			trans	33.2	154.7	137.4	-58	-3.1	0	0	0	122.4
903	L	25.3	Very low	28.7	Very low	147 Å²	147	149.1 Å²	149.1	77%	0.77	74%	0.744	S	S	*	*			cis	179.1	143.9	-33.9	-121.1	162.4	0	0	0	107
904	H	30.1	Very low	28.3	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.745	74%	0.735	S	S	*	*			trans	101.6	122.2	-171.8	-66.9	-70.9	0	0	0	113.5
905	E	26.4	Very low	28	Very low	155 Å²	155	146.4 Å²	146.4	72%	0.724	73%	0.734	S	S	*	*			cis	96.4	140.7	29.1	-169.2	179.2	-133.5	0	0	112.5
906	L	27	Very low	27.9	Very low	150 Å²	150	146.8 Å²	146.8	79%	0.785	74%	0.738	S	S	*	*			trans	68.2	154.1	-170	-46.6	173.8	0	0	0	114
907	E	26.7	Very low	27.8	Very low	120 Å²	120	150.7 Å²	150.7	56%	0.561	74%	0.74	S	S	*	*			cis	-151.6	141.4	-31.1	-123	-172.1	-175.5	0	0	107.4	R909	E907-R909 IonicContact OE2-NE 2.75Å; E907-R909 IonicContact OE2-NH2 3.17Å
908	W	26	Very low	27.7	Very low	209 Å²	209	148.2 Å²	148.2	79%	0.792	75%	0.745	S	S	*	*			trans	-87.5	120.7	178.4	-84.8	84.7	0	0	0	112	T837	T837-W908 HydrophobicContact CG2-CH2 3.82Å; T837-W908 HydrophobicContact CG2-CZ2 3.87Å
909	R	25.7	Very low	27.9	Very low	192 Å²	192	144.8 Å²	144.8	73%	0.725	75%	0.748	S	S	*	*			trans	-129.8	128.5	168.9	-62	-175.9	-175.3	-171.6	2.7	110.2	E907 T911	E907-R909 IonicContact OE2-NE 2.75Å; E907-R909 IonicContact OE2-NH2 3.17Å; R909-T911 PolarHBondContact O-N 3.37Å
910	P	31.6	Very low	27.7	Very low	135 Å²	135	145.5 Å²	145.5	88%	0.877	75%	0.746	S	S	*	*			trans	-88.5	103	173.4	32.6	-29.8	0	0	0	110.6
911	T	26.6	Very low	28.1	Very low	122 Å²	122	147.2 Å²	147.2	75%	0.748	75%	0.754	S	S	*	*			trans	-87.9	139.2	170.8	-55	0	0	0	0	110.1	R909	R909-T911 PolarHBondContact O-N 3.37Å
912	F	26.4	Very low	27.9	Very low	164 Å²	164	148.4 Å²	148.4	72%	0.719	76%	0.755	S	S	*	*			trans	-113.3	113.8	-176.6	-158	-77.8	0	0	0	109.1	V914	F912-V914 HydrophobicContact CD1-CG2 4.18Å; F912-V914 HydrophobicContact CE1-CG2 3.9Å
913	T	28.5	Very low	27.9	Very low	118 Å²	118	146.9 Å²	146.9	72%	0.724	76%	0.755	S	S	*	*			trans	-113.6	122.8	175.8	41.1	0	0	0	0	110.7
914	V	25.7	Very low	28.1	Very low	108 Å²	108	145.6 Å²	145.6	66%	0.655	75%	0.753	S	S	*	*			trans	-99.4	132.3	165.2	176.9	0	0	0	0	106.5	F912	F912-V914 HydrophobicContact CD1-CG2 4.18Å; F912-V914 HydrophobicContact CE1-CG2 3.9Å
915	I	29.6	Very low	28.3	Very low	135 Å²	135	143.9 Å²	143.9	69%	0.692	75%	0.754	S	S	*	*			trans	-118.3	102.1	171.8	-59.8	177.8	0	0	0	106.8	E917	I915-E917 HydrophobicContact CG2-CG 3.9Å
916	D	25.1	Very low	28.4	Very low	150 Å²	150	142.3 Å²	142.3	80%	0.802	75%	0.75	S	S	*	*			trans	-82.3	120.2	156.4	-76.2	-44.8	0	0	0	107
917	E	29	Very low	28.4	Very low	176 Å²	176	143.5 Å²	143.5	82%	0.822	75%	0.749	S	S	*	*			trans	-120.4	122	163.8	-85.5	-168.7	149.9	0	0	110.1	I915	I915-E917 HydrophobicContact CG2-CG 3.9Å
918	V	27.3	Very low	28.6	Very low	134 Å²	134	146.5 Å²	146.5	81%	0.812	77%	0.768	S	S	*	*			trans	-117.5	121.8	175	175.8	0	0	0	0	107.5
919	S	31.6	Very low	28.6	Very low	115 Å²	115	144 Å²	144	80%	0.804	77%	0.77	S	S	*	*			trans	-154.3	135	157.9	48.5	0	0	0	0	111.7
920	D	27.2	Very low	28.8	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	77%	0.77	S	S	*	*			trans	-72	153.1	-174.3	-55.2	-94.1	0	0	0	114
921	Q	33.3	Very low	28.8	Very low	200 Å²	200	138.9 Å²	138.9	94%	0.935	76%	0.762	S	S	*	*			trans	-136	118.9	133.6	-71.3	-159.6	-3.6	0	0	111.8
922	Q	26.9	Very low	29	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	77%	0.767	S	S	*	*			trans	-77.9	159.6	165.6	-65.8	162.9	0.1	0	0	108.6
923	S	29	Very low	29	Very low	99 Å²	99	143 Å²	143	69%	0.692	78%	0.777	S	S	*	*			cis	-159.6	172.9	4.9	39.5	0	0	0	0	108.5
924	T	30.8	Very low	29.1	Very low	120 Å²	120	142.3 Å²	142.3	74%	0.736	78%	0.784	S	S	*	*				169.8	163.6	88.9	42.1	0	0	0	0	111.8
925	V	33.7	Very low	29.3	Very low	126 Å²	126	141.5 Å²	141.5	76%	0.764	79%	0.788	S	S	*	*			trans	71.4	80.6	162.9	-156	0	0	0	0	119.5
926	D	28.3	Very low	29.4	Very low	122 Å²	122	142.4 Å²	142.4	65%	0.652	79%	0.793	S	S	*	*				50.3	135	112.5	-82.5	27.3	0	0	0	124.3
927	K	27.9	Very low	29.3	Very low	174 Å²	174	146.6 Å²	146.6	76%	0.757	80%	0.798	S	S	*	*			trans	72.5	91.3	144.7	-64.5	168	-178.2	106.2	0	119.1
928	L	30.1	Very low	29.3	Very low	183 Å²	183	143.9 Å²	143.9	96%	0.958	79%	0.793	S	S	*	*				-154.8	114.8	102.8	-144.5	76	0	0	0	111.2
929	D	26.8	Very low	29.4	Very low	158 Å²	158	146.3 Å²	146.3	85%	0.845	80%	0.796	S	S	*	*			trans	-145.9	147.6	177.1	-165.7	4.7	0	0	0	110.5
930	S	29.4	Very low	29.1	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	80%	0.796	S	S	*	*			trans	136.9	159.5	167.9	62.4	0	0	0	0	114.7
931	V	32.8	Very low	29.2	Very low	117 Å²	117	146.3 Å²	146.3	71%	0.709	80%	0.8	S	S	*	*	S	Bend	trans	74.2	59.8	171.2	-160	0	0	0	0	116.3
932	K	30.6	Very low	28.9	Very low	196 Å²	196	144.4 Å²	144.4	85%	0.852	80%	0.796	S	S	*	*				178.7	106.7	99.9	-93.6	151.9	-175.6	170.5	0	113.6
933	N	26.4	Very low	29	Very low	175 Å²	175	140.9 Å²	140.9	94%	0.936	79%	0.79	S	S	*	*			trans	-137.2	99.6	165.3	-117.2	-20.7	0	0	0	109.2
934	A	30	Very low	29.4	Very low	104 Å²	104	142 Å²	142	86%	0.86	79%	0.793	S	S	*	*			trans	178.5	136.1	168.9	0	0	0	0	0	108.1
935	A	29.5	Very low	30.5	Very low	91 Å²	91	139.1 Å²	139.1	75%	0.752	78%	0.775	S	S	*	*			cis	-142.2	174.8	-13	0	0	0	0	0	106.9
936	I	31.1	Very low	32.6	Very low	155 Å²	155	138 Å²	138	80%	0.795	77%	0.765	S	S	*	*				-152.7	138.9	62.2	-78.3	161.4	0	0	0	109.2
937	R	23.7	Very low	35.4	Very low	238 Å²	238	135.6 Å²	135.6	90%	0.898	75%	0.751	S	S	*	*			trans	-85.2	140.1	166.5	-73.5	174.6	168.1	169.4	-6.1	109.9
938	T	28.3	Very low	38.5	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	72%	0.716	S	S	*	*			trans	-146.3	113.3	150.9	10.4	0	0	0	0	110.9
939	Q	29.5	Very low	41.5	Very low	184 Å²	184	120 Å²	120	86%	0.86	68%	0.679	S	S	*	*			trans	58	90.2	152.1	-64.6	169.8	-4.2	0	0	117.7
940	T	27	Very low	44.7	Very low	133 Å²	133	112.6 Å²	112.6	82%	0.816	64%	0.639	S	S	*	*			trans	-65.8	143.3	145.9	42.9	0	0	0	0	110.4
941	S	27.6	Very low	47.7	Very low	110 Å²	110	110.9 Å²	110.9	77%	0.769	62%	0.621	S	S	*	*			trans	-134.8	92.5	162.4	59.4	0	0	0	0	108.6	S943	S941-S943 PolarHBondContact O-N 3.3Å
942	D	28.4	Very low	50.4	Low	160 Å²	160	111.5 Å²	111.5	86%	0.856	61%	0.612	S	S	*	*			trans	-73.7	117.4	170.7	-71.9	-64.1	0	0	0	109.6
943	S	29.1	Very low	53.4	Low	93 Å²	93	107.3 Å²	107.3	65%	0.65	60%	0.599	S	S	*	*			trans	-156.7	118.8	168.2	57.4	0	0	0	0	112.4	S941	S941-S943 PolarHBondContact O-N 3.3Å
944	T	36.9	Very low	56.5	Low	121 Å²	121	99.9 Å²	99.9	74%	0.742	56%	0.558	S	S	*	*			trans	58.8	116.5	147.4	55.5	0	0	0	0	120.8
945	T	54.3	Low	59.4	Low	60 Å²	60	102.7 Å²	102.7	37%	0.368	55%	0.553	S	S	.	*			trans	62.2	56.8	133.2	62.3	0	0	0	0	120.8	I947	T945-I947 PolarHBondContact O-N 3.26Å
946	N	77.2	Confident	62.2	Low	103 Å²	103	99.7 Å²	99.7	55%	0.551	53%	0.529	S	S	*	.			trans	-82.1	41.6	153.7	-91.1	-24.5	0	0	0	112.6	I972	N946-I972 PolarHBondContact O-N 3.02Å
947	I	87.6	Confident	64.7	Low	71 Å²	71	100 Å²	100	36%	0.364	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.7	174.9	-57.9	178.5	0	0	0	108.2	T945 K969 D1002	T945-I947 PolarHBondContact O-N 3.26Å; I947-K969 HydrophobicContact CG2-CB 4.18Å; I947-K969 HydrophobicContact CG2-CD 4.15Å; I947-D1002 PolarHBondContact O-N 3.33Å
948	F	92.9	Very high	67.2	Low	4 Å²	4	91.6 Å²	91.6	2%	0.018	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.6	-176.1	-69.7	-113.5	0	0	0	109.4	L970 I972 W981 I999 S1000 E1001	F948-L970 PolarHBondContact N-O 2.92Å; F948-L970 PolarHBondContact O-N 2.99Å; F948-I972 HydrophobicContact CD2-CB 4.4Å; F948-I972 HydrophobicContact CD2-CG1 3.53Å; F948-I972 HydrophobicContact CE2-CB 4.45Å; F948-I972 HydrophobicContact CE2-CG1 3.9Å; F948-I972 HydrophobicContact CG-CG1 3.99Å; F948-W981 HydrophobicContact CD1-CZ3 4.16Å; F948-W981 HydrophobicContact CE1-CH2 4.49Å; F948-W981 AromaticContact CE1-CZ3 3.94Å; F948-W981 HydrophobicContact CE1-CZ3 3.94Å; F948-I999 HydrophobicContact CB-CG2 3.32Å; F948-I999 HydrophobicContact CD1-CG2 3.8Å; F948-I999 HydrophobicContact CG-CG2 3.86Å; F948-S1000 CarbonylContact C-O 3.57Å; F948-S1000 WeakPolarHBondContact CA-O 3.18Å; F948-S1000 VanDerWaalsContact CB-O 3.23Å; F948-S1000 WeakPolarHBondContact CB-O 3.46Å; F948-S1000 VanDerWaalsContact CD1-C 3.45Å; F948-E1001 VanDerWaalsContact CD1-CA 3.41Å; F948-E1001 HydrophobicContact CD1-CB 3.88Å; F948-E1001 HydrophobicContact CD1-CG 4.31Å; F948-E1001 VanDerWaalsContact CD1-N 3.32Å; F948-E1001 HydrophobicContact CE1-CB 3.55Å; F948-E1001 HydrophobicContact CE1-CG 3.75Å; F948-E1001 HydrophobicContact CE2-CG 4.25Å; F948-E1001 HydrophobicContact CZ-CB 4.05Å; F948-E1001 HydrophobicContact CZ-CG 3.69Å
949	T	93.2	Very high	69.7	Low	27 Å²	27	90.1 Å²	90.1	17%	0.166	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.8	172.9	-100.7	0	0	0	0	111.9	L951 G967 D968 K969 S1000	T949-L951 PolarHBondContact O-N 3.15Å; T949-G967 PolarHBondContact OG1-O 2.99Å; T949-D968 WeakPolarHBondContact CA-O 3.47Å; T949-K969 WeakPolarHBondContact OG1-CD 3.49Å; T949-K969 VanDerWaalsContact OG1-CE 3.29Å; T949-K969 WeakPolarHBondContact OG1-CE 3.44Å; T949-K969 PolarHBondContact OG1-NZ 3.44Å; T949-S1000 PolarHBondContact N-O 2.88Å; T949-S1000 PolarHBondContact O-N 3.46Å
950	A	93.8	Very high	72.3	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.008	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	121.2	166.2	0	0	0	0	0	112	F964 K965 R966 G967 D968 L970 Y998	A950-F964 HydrophobicContact CB-CD2 3.41Å; A950-F964 VanDerWaalsContact CB-CD2 3.41Å; A950-F964 HydrophobicContact CB-CE2 3.72Å; A950-F964 HydrophobicContact CB-CG 4.45Å; A950-K965 WeakPolarHBondContact CB-O 3.34Å; A950-R966 WeakPolarHBondContact O-CA 3.25Å; A950-G967 PolarHBondContact O-N 3.18Å; A950-D968 HydrophobicContact CB-CB 4.42Å; A950-D968 PolarHBondContact N-O 3.46Å; A950-L970 HydrophobicContact CB-CD1 3.86Å; A950-Y998 CarbonylContact C-O 3.58Å; A950-Y998 WeakPolarHBondContact CA-O 3.47Å
951	L	91	Very high	75.4	Confident	66 Å²	66	77.5 Å²	77.5	35%	0.346	42%	0.422	S	S	.	.	S	Bend	trans	-75.3	-28.7	176.5	-67.5	176.9	0	0	0	113.2	T949 R966 Y998	T949-L951 PolarHBondContact O-N 3.15Å; L951-R966 WeakPolarHBondContact O-CD 3.31Å; L951-R966 VanDerWaalsContact O-CG 3.31Å; L951-R966 WeakPolarHBondContact O-CG 3.27Å; L951-R966 PolarHBondContact O-NE 3.34Å; L951-Y998 PolarHBondContact N-O 2.97Å
952	Y	90.6	Very high	78.5	Confident	131 Å²	131	72.4 Å²	72.4	51%	0.514	39%	0.386	S	S	.	.	S	Bend	trans	-144.2	160.2	-176.3	-45.4	-77.7	0	0	0	110.3	Y998	Y952-Y998 HydrophobicContact CD2-CD1 4.02Å; Y952-Y998 HydrophobicContact CD2-CE1 4.33Å; Y952-Y998 HydrophobicContact CD2-CG 4.22Å; Y952-Y998 HydrophobicContact CG-CD1 4.36Å; Y952-Y998 HydrophobicContact CG-CE1 4.48Å
953	D	92.4	Very high	81.5	Confident	108 Å²	108	68.7 Å²	68.7	58%	0.578	37%	0.366	S	S	*	.			trans	-64.8	137.6	168.2	-62.5	-25.3	0	0	0	110.2	K965 R966 Y998	D953-K965 VanDerWaalsContact OD1-CA 3.27Å; D953-K965 WeakPolarHBondContact OD1-CA 3.45Å; D953-K965 WeakPolarHBondContact OD1-CB 3.42Å; D953-R966 PolarHBondContact OD1-N 3.02Å; D953-Y998 WeakPolarHBondContact O-CE1 3.26Å
954	Y	92.4	Very high	84.6	Confident	18 Å²	18	64.7 Å²	64.7	7%	0.071	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-132.7	122.4	175.5	-170.2	-105.1	0	0	0	111.3	E961 L962 F964 W980 P995 Y998	Y954-E961 HydrophobicContact CE1-CB 4.45Å; Y954-E961 PolarHBondContact OH-OE2 3.23Å; Y954-E961 VanDerWaalsContact OH-OE2 3.13Å; Y954-L962 WeakPolarHBondContact CD1-O 3.23Å; Y954-F964 VanDerWaalsContact CB-CE2 3.48Å; Y954-F964 HydrophobicContact CD1-CD1 4.39Å; Y954-F964 AromaticContact CD1-CE1 3.73Å; Y954-F964 HydrophobicContact CD1-CE1 3.73Å; Y954-F964 HydrophobicContact CD1-CZ 4.1Å; Y954-F964 AromaticContact CG-CE1 3.98Å; Y954-F964 HydrophobicContact CG-CE1 3.98Å; Y954-F964 HydrophobicContact CG-CE2 4.48Å; Y954-F964 AromaticContact CG-CZ 3.87Å; Y954-F964 HydrophobicContact CG-CZ 3.87Å; Y954-F964 PolarHBondContact N-O 3.33Å; Y954-F964 PolarHBondContact O-N 2.72Å; Y954-F964 VanDerWaalsContact O-N 3.08Å; Y954-F964 VanDerWaalsContact O-O 3.11Å; Y954-W980 HydrophobicContact CE1-CZ3 4.35Å; Y954-W980 VanDerWaalsContact OH-CH2 3.29Å; Y954-W980 WeakPolarHBondContact OH-CH2 3.17Å; Y954-P995 HydrophobicContact CD1-CG 4.19Å; Y954-P995 HydrophobicContact CD2-CG 3.77Å; Y954-P995 HydrophobicContact CE1-CG 4.16Å; Y954-P995 HydrophobicContact CE2-CG 3.76Å; Y954-P995 HydrophobicContact CG-CG 4.02Å; Y954-Y998 AromaticContact CD2-CD1 3.99Å; Y954-Y998 HydrophobicContact CD2-CD1 3.99Å; Y954-Y998 AromaticContact CD2-CE1 3.74Å; Y954-Y998 HydrophobicContact CD2-CE1 3.74Å; Y954-Y998 HydrophobicContact CD2-CE2 4.47Å; Y954-Y998 HydrophobicContact CD2-CG 4.49Å; Y954-Y998 HydrophobicContact CG-CD1 4.33Å; Y954-Y998 HydrophobicContact CG-CE1 4.44Å
955	Q	91.3	Very high	87.2	Confident	163 Å²	163	65.8 Å²	65.8	76%	0.762	33%	0.332	S	S	*	.			trans	-99.8	126.1	170.4	-69.4	-178.1	-13.5	0	0	108.9	Q957 N963	Q955-Q957 PolarHBondContact O-N 3.2Å; Q955-N963 WeakPolarHBondContact CA-OD1 3.47Å
956	A	87.6	Confident	88.9	Confident	29 Å²	29	72 Å²	72	24%	0.24	35%	0.348	C	S	.	.			trans	-60.6	123.5	176.9	0	0	0	0	0	110.4	E961 N963	A956-E961 HydrophobicContact CB-CB 3.76Å; A956-E961 WeakPolarHBondContact CB-O 3.4Å; A956-N963 PolarHBondContact N-OD1 2.85Å
957	Q	82.9	Confident	89.5	Confident	161 Å²	161	69.1 Å²	69.1	75%	0.752	34%	0.343	S	S	*	.	S	Bend	trans	-86.9	-18.6	174.6	-58	-173.4	3	0	0	111.6	Q955 E961	Q955-Q957 PolarHBondContact O-N 3.2Å; Q957-E961 WeakPolarHBondContact CA-OE2 3.45Å; Q957-E961 WeakPolarHBondContact CB-OE2 3.42Å; Q957-E961 PolarHBondContact N-OE2 3.23Å
958	R	77.6	Confident	89.7	Confident	61 Å²	61	67.5 Å²	67.5	23%	0.23	34%	0.335	C	S	.	.	S	Bend	trans	-130.9	158.5	177.2	-63.8	168.8	46.3	96.1	-3.5	112	R746 T784 D960 E961	R746-R958 PolarHBondContact O-NH2 3Å; T784-R958 PolarHBondContact O-NH1 3.1Å; R958-D960 WeakPolarHBondContact CB-OD1 3.45Å; R958-D960 IonicContact CZ-OD1 2.76Å; R958-D960 IonicContact CZ-OD2 3.6Å; R958-D960 IonicContact NE-OD1 3.9Å; R958-D960 PolarHBondContact NE-OD1 3.4Å; R958-D960 IonicContact NE-OD2 3.74Å; R958-D960 IonicContact NH2-OD1 2.65Å; R958-D960 PolarHBondContact NH2-OD1 3.43Å; R958-D960 IonicContact NH2-OD2 2.94Å; R958-D960 PolarHBondContact NH2-OD2 3.02Å; R958-D960 PolarHBondContact O-N 2.85Å; R958-D960 VanDerWaalsContact O-N 3.17Å; R958-E961 HydrophobicContact CB-CG 4.12Å; R958-E961 WeakPolarHBondContact CD-OE1 3.32Å; R958-E961 PolarHBondContact N-OE2 2.77Å; R958-E961 VanDerWaalsContact N-OE2 3.07Å; R958-E961 PolarHBondContact O-N 3.46Å; R958-E961 VanDerWaalsContact O-N 3.16Å
959	S	79.6	Confident	89.8	Confident	89 Å²	89	71.1 Å²	71.1	62%	0.622	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-6.8	179.9	64.3	0	0	0	0	115.6
960	D	85.2	Confident	89.8	Confident	28 Å²	28	69.8 Å²	69.8	15%	0.15	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	0.8	174.3	50.9	-4.5	0	0	0	113.4	H748 R958 G992 F993	H748-D960 IonicContact CE1-OD2 3.85Å; H748-D960 IonicContact CG-OD2 3.93Å; H748-D960 IonicContact ND1-OD2 3.6Å; H748-D960 PolarHBondContact ND1-OD2 3.4Å; R958-D960 WeakPolarHBondContact CB-OD1 3.45Å; R958-D960 IonicContact CZ-OD1 2.76Å; R958-D960 IonicContact CZ-OD2 3.6Å; R958-D960 IonicContact NE-OD1 3.9Å; R958-D960 PolarHBondContact NE-OD1 3.4Å; R958-D960 IonicContact NE-OD2 3.74Å; R958-D960 IonicContact NH2-OD1 2.65Å; R958-D960 PolarHBondContact NH2-OD1 3.43Å; R958-D960 IonicContact NH2-OD2 2.94Å; R958-D960 PolarHBondContact NH2-OD2 3.02Å; R958-D960 PolarHBondContact O-N 2.85Å; R958-D960 VanDerWaalsContact O-N 3.17Å; D960-G992 WeakPolarHBondContact O-CA 3.35Å; D960-F993 HydrophobicContact CB-CD2 4.22Å; D960-F993 VanDerWaalsContact O-CD2 3.31Å; D960-F993 WeakPolarHBondContact O-CD2 3.31Å; D960-F993 PolarHBondContact O-N 3.37Å
961	E	91.3	Very high	89.8	Confident	24 Å²	24	75.3 Å²	75.3	11%	0.112	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-97.4	151.7	177.2	-64.9	166.4	-175.5	0	0	111.7	Y954 A956 Q957 R958 W980 F993	Y954-E961 HydrophobicContact CE1-CB 4.45Å; Y954-E961 PolarHBondContact OH-OE2 3.23Å; Y954-E961 VanDerWaalsContact OH-OE2 3.13Å; A956-E961 HydrophobicContact CB-CB 3.76Å; A956-E961 WeakPolarHBondContact CB-O 3.4Å; Q957-E961 WeakPolarHBondContact CA-OE2 3.45Å; Q957-E961 WeakPolarHBondContact CB-OE2 3.42Å; Q957-E961 PolarHBondContact N-OE2 3.23Å; R958-E961 HydrophobicContact CB-CG 4.12Å; R958-E961 WeakPolarHBondContact CD-OE1 3.32Å; R958-E961 PolarHBondContact N-OE2 2.77Å; R958-E961 VanDerWaalsContact N-OE2 3.07Å; R958-E961 PolarHBondContact O-N 3.46Å; R958-E961 VanDerWaalsContact O-N 3.16Å; E961-W980 HydrophobicContact CG-CH2 4.02Å; E961-W980 HydrophobicContact CG-CZ3 3.74Å; E961-W980 VanDerWaalsContact OE1-CH2 3.24Å; E961-W980 WeakPolarHBondContact OE1-CH2 3.25Å; E961-F993 CarbonylContact C-O 3.55Å; E961-F993 VanDerWaalsContact CA-O 3.27Å; E961-F993 WeakPolarHBondContact CA-O 3.36Å; E961-F993 HydrophobicContact CG-CB 4.43Å
962	L	92.3	Very high	89.8	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-95.2	127.4	-177.6	-177.9	62.1	0	0	0	111.2	Y954 F964 L970 A983 L985 Q990 F993	Y954-L962 WeakPolarHBondContact CD1-O 3.23Å; L962-F964 HydrophobicContact CB-CD1 4.49Å; L962-F964 HydrophobicContact CG-CD1 4.31Å; L962-F964 VanDerWaalsContact O-CD1 3.25Å; L962-F964 WeakPolarHBondContact O-CD1 3.45Å; L962-L970 HydrophobicContact CD2-CD2 3.83Å; L962-A983 HydrophobicContact CD2-CB 4.05Å; L962-L985 HydrophobicContact CD1-CB 4.37Å; L962-L985 HydrophobicContact CD2-CB 4.2Å; L962-Q990 HydrophobicContact CD1-CB 3.8Å; L962-F993 PolarHBondContact N-O 3.43Å
963	N	92.6	Very high	89.7	Confident	81 Å²	81	70 Å²	70	43%	0.433	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-76.7	133.9	167.7	-68.6	-76.3	0	0	0	110.3	Q955 A956	Q955-N963 WeakPolarHBondContact CA-OD1 3.47Å; A956-N963 PolarHBondContact N-OD1 2.85Å
964	F	93.3	Very high	89.6	Confident	9 Å²	9	70.6 Å²	70.6	4%	0.039	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-155.3	157.2	174.8	56.4	-94.9	0	0	0	111.8	A950 Y954 L962 D968 L970 L985 A994 Y998	A950-F964 HydrophobicContact CB-CD2 3.41Å; A950-F964 VanDerWaalsContact CB-CD2 3.41Å; A950-F964 HydrophobicContact CB-CE2 3.72Å; A950-F964 HydrophobicContact CB-CG 4.45Å; Y954-F964 VanDerWaalsContact CB-CE2 3.48Å; Y954-F964 HydrophobicContact CD1-CD1 4.39Å; Y954-F964 AromaticContact CD1-CE1 3.73Å; Y954-F964 HydrophobicContact CD1-CE1 3.73Å; Y954-F964 HydrophobicContact CD1-CZ 4.1Å; Y954-F964 AromaticContact CG-CE1 3.98Å; Y954-F964 HydrophobicContact CG-CE1 3.98Å; Y954-F964 HydrophobicContact CG-CE2 4.48Å; Y954-F964 AromaticContact CG-CZ 3.87Å; Y954-F964 HydrophobicContact CG-CZ 3.87Å; Y954-F964 PolarHBondContact N-O 3.33Å; Y954-F964 PolarHBondContact O-N 2.72Å; Y954-F964 VanDerWaalsContact O-N 3.08Å; Y954-F964 VanDerWaalsContact O-O 3.11Å; L962-F964 HydrophobicContact CB-CD1 4.49Å; L962-F964 HydrophobicContact CG-CD1 4.31Å; L962-F964 VanDerWaalsContact O-CD1 3.25Å; L962-F964 WeakPolarHBondContact O-CD1 3.45Å; F964-D968 HydrophobicContact CB-CB 4.37Å; F964-L970 HydrophobicContact CD1-CD2 3.99Å; F964-L970 HydrophobicContact CE1-CD2 4.32Å; F964-L970 HydrophobicContact CG-CD2 4.26Å; F964-L985 HydrophobicContact CB-CD1 3.75Å; F964-A994 HydrophobicContact CD1-CB 4.33Å; F964-A994 HydrophobicContact CE1-CB 3.56Å; F964-A994 HydrophobicContact CZ-CB 4.23Å; F964-Y998 HydrophobicContact CE2-CD1 4.45Å
965	K	91.3	Very high	89.4	Confident	144 Å²	144	75.1 Å²	75.1	63%	0.626	36%	0.362	S	S	*	.			trans	-104.9	157.1	175.6	-66.9	-174.2	-179.5	-179.8	0	111.5	A950 D953 G967 D968	A950-K965 WeakPolarHBondContact CB-O 3.34Å; D953-K965 VanDerWaalsContact OD1-CA 3.27Å; D953-K965 WeakPolarHBondContact OD1-CA 3.45Å; D953-K965 WeakPolarHBondContact OD1-CB 3.42Å; K965-G967 PolarHBondContact O-N 2.89Å; K965-D968 PolarHBondContact N-OD2 2.79Å; K965-D968 VanDerWaalsContact O-CB 3.25Å; K965-D968 WeakPolarHBondContact O-CB 3.2Å; K965-D968 PolarHBondContact O-N 2.75Å
966	R	91	Very high	88.8	Confident	190 Å²	190	71.6 Å²	71.6	72%	0.717	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	129.4	171.6	179.8	172	-177.5	-139.8	-6.2	110.4	A950 L951 D953	A950-R966 WeakPolarHBondContact O-CA 3.25Å; L951-R966 WeakPolarHBondContact O-CD 3.31Å; L951-R966 VanDerWaalsContact O-CG 3.31Å; L951-R966 WeakPolarHBondContact O-CG 3.27Å; L951-R966 PolarHBondContact O-NE 3.34Å; D953-R966 PolarHBondContact OD1-N 3.02Å
967	G	89.6	Confident	88.4	Confident	43 Å²	43	72.8 Å²	72.8	44%	0.443	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-19.9	-175.7	0	0	0	0	0	114.6	T949 A950 K965	T949-G967 PolarHBondContact OG1-O 2.99Å; A950-G967 PolarHBondContact O-N 3.18Å; K965-G967 PolarHBondContact O-N 2.89Å
968	D	92.8	Very high	88.3	Confident	37 Å²	37	71.2 Å²	71.2	20%	0.198	36%	0.357	C	S	.	.			trans	-56.1	144.4	176.3	-81.8	-26.8	0	0	0	111.3	T949 A950 F964 K965 L970 L985	T949-D968 WeakPolarHBondContact CA-O 3.47Å; A950-D968 HydrophobicContact CB-CB 4.42Å; A950-D968 PolarHBondContact N-O 3.46Å; F964-D968 HydrophobicContact CB-CB 4.37Å; K965-D968 PolarHBondContact N-OD2 2.79Å; K965-D968 VanDerWaalsContact O-CB 3.25Å; K965-D968 WeakPolarHBondContact O-CB 3.2Å; K965-D968 PolarHBondContact O-N 2.75Å; D968-L970 WeakPolarHBondContact O-CD1 3.13Å; D968-L985 HydrophobicContact CB-CD1 3.77Å
969	K	93.6	Very high	88.8	Confident	80 Å²	80	77.4 Å²	77.4	35%	0.348	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.5	175.8	-60.7	-65.8	178.1	-175.6	0	109.6	I947 T949 V986 D1002	I947-K969 HydrophobicContact CG2-CB 4.18Å; I947-K969 HydrophobicContact CG2-CD 4.15Å; T949-K969 WeakPolarHBondContact OG1-CD 3.49Å; T949-K969 VanDerWaalsContact OG1-CE 3.29Å; T949-K969 WeakPolarHBondContact OG1-CE 3.44Å; T949-K969 PolarHBondContact OG1-NZ 3.44Å; K969-V986 HydrophobicContact CB-CB 4.06Å; K969-V986 HydrophobicContact CB-CG2 4.06Å; K969-V986 WeakPolarHBondContact O-CB 3.4Å; K969-V986 VanDerWaalsContact O-CG2 3.31Å; K969-V986 WeakPolarHBondContact O-CG2 3.5Å; K969-V986 PolarHBondContact O-N 2.93Å; K969-D1002 VanDerWaalsContact CD-OD2 3.23Å; K969-D1002 WeakPolarHBondContact CD-OD2 3.47Å; K969-D1002 WeakPolarHBondContact CE-OD2 3.47Å; K969-D1002 IonicContact NZ-OD1 2.76Å; K969-D1002 PolarHBondContact NZ-OD1 3.14Å; K969-D1002 IonicContact NZ-OD2 2.73Å; K969-D1002 PolarHBondContact NZ-OD2 3.17Å
970	L	93.5	Very high	89.3	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.1	178.4	-63.8	98.1	0	0	0	109.7	F948 A950 L962 F964 D968 A983 L985 A994	F948-L970 PolarHBondContact N-O 2.92Å; F948-L970 PolarHBondContact O-N 2.99Å; A950-L970 HydrophobicContact CB-CD1 3.86Å; L962-L970 HydrophobicContact CD2-CD2 3.83Å; F964-L970 HydrophobicContact CD1-CD2 3.99Å; F964-L970 HydrophobicContact CE1-CD2 4.32Å; F964-L970 HydrophobicContact CG-CD2 4.26Å; D968-L970 WeakPolarHBondContact O-CD1 3.13Å; L970-A983 HydrophobicContact CB-CB 4.34Å; L970-A983 HydrophobicContact CD2-CB 3.78Å; L970-L985 HydrophobicContact CD1-CD1 4.41Å; L970-L985 HydrophobicContact CD2-CD1 4.27Å; L970-L985 HydrophobicContact CG-CD1 3.87Å; L970-A994 HydrophobicContact CD2-CB 4.08Å
971	K	93	Very high	89.7	Confident	116 Å²	116	77.4 Å²	77.4	50%	0.504	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.6	166.6	-175.8	172.7	-177.5	173.6	0	108.5	L973 K984 V986	K971-L973 PolarHBondContact O-N 3.48Å; K971-K984 PolarHBondContact N-O 3.44Å; K971-K984 PolarHBondContact O-N 2.85Å; K971-V986 HydrophobicContact CB-CG2 4.33Å
972	I	92.5	Very high	89.8	Confident	11 Å²	11	77.6 Å²	77.6	6%	0.056	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.1	177	-57.5	-56.1	0	0	0	109.1	N946 F948 K975 W981 A983 I999	N946-I972 PolarHBondContact O-N 3.02Å; F948-I972 HydrophobicContact CD2-CB 4.4Å; F948-I972 HydrophobicContact CD2-CG1 3.53Å; F948-I972 HydrophobicContact CE2-CB 4.45Å; F948-I972 HydrophobicContact CE2-CG1 3.9Å; F948-I972 HydrophobicContact CG-CG1 3.99Å; I972-K975 HydrophobicContact CG2-CG 4.14Å; I972-W981 HydrophobicContact CD1-CB 4.33Å; I972-W981 HydrophobicContact CD1-CE3 3.98Å; I972-W981 HydrophobicContact CG1-CE3 4.15Å; I972-W981 HydrophobicContact CG2-CB 4.25Å; I972-A983 HydrophobicContact CD1-CB 3.86Å; I972-I999 HydrophobicContact CD1-CD1 4.34Å; I972-I999 HydrophobicContact CD1-CG2 4.4Å
973	L	88.6	Confident	89.9	Confident	75 Å²	75	77.4 Å²	77.4	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-48.3	178.9	-58	-177.8	0	0	0	110.6	K971 M982 K984 Q991	K971-L973 PolarHBondContact O-N 3.48Å; L973-M982 HydrophobicContact CB-CG 4.25Å; L973-M982 HydrophobicContact CD1-CG 4.16Å; L973-M982 PolarHBondContact N-O 3.27Å; L973-K984 HydrophobicContact CD1-CB 4.32Å; L973-K984 HydrophobicContact CD2-CB 4.33Å; L973-K984 HydrophobicContact CG-CB 4.39Å; L973-Q991 HydrophobicContact CD1-CG 4.25Å
974	Y	89.8	Confident	89.9	Confident	120 Å²	120	77.5 Å²	77.5	47%	0.471	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	161.2	170.7	60.1	-89.6	0	0	0	111.5	D976 M982	Y974-D976 HydrophobicContact CD2-CB 4.21Å; Y974-D976 HydrophobicContact CE2-CB 3.96Å; Y974-M982 HydrophobicContact CD1-CB 3.8Å; Y974-M982 HydrophobicContact CD1-CG 4.1Å; Y974-M982 HydrophobicContact CD2-CB 4.1Å; Y974-M982 HydrophobicContact CE1-CB 3.49Å; Y974-M982 VanDerWaalsContact CE1-CB 3.49Å; Y974-M982 HydrophobicContact CE1-CG 3.51Å; Y974-M982 HydrophobicContact CE2-CB 3.81Å; Y974-M982 HydrophobicContact CG-CB 4.09Å; Y974-M982 VanDerWaalsContact CZ-CB 3.48Å; Y974-M982 PolarHBondContact N-O 3.1Å; Y974-M982 PolarHBondContact O-N 3.11Å
975	K	89.1	Confident	89.9	Confident	113 Å²	113	77.3 Å²	77.3	49%	0.491	36%	0.361	S	S	.	.			trans	-104.8	94.3	-179	-60.7	-172.4	175.7	-178.4	0	109.1	I972 W981	I972-K975 HydrophobicContact CG2-CG 4.14Å; K975-W981 VanDerWaalsContact CB-CD1 3.49Å; K975-W981 HydrophobicContact CB-CG 4.03Å; K975-W981 HydrophobicContact CD-CD2 3.96Å; K975-W981 HydrophobicContact CD-CE3 4.47Å; K975-W981 HydrophobicContact CD-CG 4.36Å; K975-W981 HydrophobicContact CD-CH2 4.42Å; K975-W981 HydrophobicContact CD-CZ2 3.87Å; K975-W981 HydrophobicContact CG-CB 4.38Å; K975-W981 HydrophobicContact CG-CD2 3.81Å; K975-W981 HydrophobicContact CG-CG 3.71Å
976	D	77.6	Confident	89.8	Confident	90 Å²	90	74.5 Å²	74.5	48%	0.481	36%	0.355	S	S	.	.			trans	-69.2	-53.4	-173.9	176.9	68.4	0	0	0	112.8	Y974 W980 F993	Y974-D976 HydrophobicContact CD2-CB 4.21Å; Y974-D976 HydrophobicContact CE2-CB 3.96Å; D976-W980 PolarHBondContact N-O 3.09Å; D976-F993 HydrophobicContact CB-CD1 4.43Å; D976-F993 HydrophobicContact CB-CE1 3.76Å
977	T	79.5	Confident	89.5	Confident	53 Å²	53	70 Å²	70	33%	0.325	35%	0.349	S	S	.	.	S	Bend	trans	-127.8	166.5	173.1	61.7	0	0	0	0	110.9	R979 W980 W981	T977-R979 PolarHBondContact O-N 3.33Å; T977-R979 PolarHBondContact OG1-N 3.03Å; T977-W980 PolarHBondContact N-O 3.1Å; T977-W980 PolarHBondContact O-N 2.77Å; T977-W980 VanDerWaalsContact O-O 3.12Å; T977-W980 WeakPolarHBondContact OG1-CB 3.23Å; T977-W980 PolarHBondContact OG1-N 3.28Å; T977-W981 PolarHBondContact O-NE1 3.08Å
978	P	80.5	Confident	89.3	Confident	129 Å²	129	71.8 Å²	71.8	84%	0.838	35%	0.351	S	S	*	.	S	Bend	trans	-61.3	-4.4	170.7	-24.3	35.4	0	0	0	115.1
979	R	88.2	Confident	89.1	Confident	191 Å²	191	71.4 Å²	71.4	72%	0.721	36%	0.357	S	S	*	.	S	Bend	trans	-120.8	-16.9	179.9	-68.3	-174.9	179.6	178	-0.8	114.3	T977 P995 A996	T977-R979 PolarHBondContact O-N 3.33Å; T977-R979 PolarHBondContact OG1-N 3.03Å; R979-P995 CarbonylContact O-C 3.55Å; R979-P995 VanDerWaalsContact O-CA 3.3Å; R979-P995 WeakPolarHBondContact O-CA 3.35Å; R979-A996 PolarHBondContact O-N 3.17Å
980	W	90.3	Very high	88.8	Confident	78 Å²	78	72.9 Å²	72.9	30%	0.295	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.2	-176	-63.3	95.8	0	0	0	110.6	Y954 E961 D976 T977 F993 P995	Y954-W980 HydrophobicContact CE1-CZ3 4.35Å; Y954-W980 VanDerWaalsContact OH-CH2 3.29Å; Y954-W980 WeakPolarHBondContact OH-CH2 3.17Å; E961-W980 HydrophobicContact CG-CH2 4.02Å; E961-W980 HydrophobicContact CG-CZ3 3.74Å; E961-W980 VanDerWaalsContact OE1-CH2 3.24Å; E961-W980 WeakPolarHBondContact OE1-CH2 3.25Å; D976-W980 PolarHBondContact N-O 3.09Å; T977-W980 PolarHBondContact N-O 3.1Å; T977-W980 PolarHBondContact O-N 2.77Å; T977-W980 VanDerWaalsContact O-O 3.12Å; T977-W980 WeakPolarHBondContact OG1-CB 3.23Å; T977-W980 PolarHBondContact OG1-N 3.28Å; W980-F993 HydrophobicContact CB-CD1 4.49Å; W980-F993 HydrophobicContact CE3-CB 4Å; W980-P995 HydrophobicContact CD2-CB 4.46Å; W980-P995 HydrophobicContact CE3-CB 4.08Å; W980-P995 HydrophobicContact CZ3-CB 4.13Å; W980-P995 HydrophobicContact CZ3-CG 4.23Å
981	W	93.6	Very high	88.7	Confident	39 Å²	39	78.6 Å²	78.6	15%	0.148	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.7	177.9	-57.3	-19.4	0	0	0	109.2	F948 I972 K975 T977 A983 F993 A994 A996 I999	F948-W981 HydrophobicContact CD1-CZ3 4.16Å; F948-W981 HydrophobicContact CE1-CH2 4.49Å; F948-W981 AromaticContact CE1-CZ3 3.94Å; F948-W981 HydrophobicContact CE1-CZ3 3.94Å; I972-W981 HydrophobicContact CD1-CB 4.33Å; I972-W981 HydrophobicContact CD1-CE3 3.98Å; I972-W981 HydrophobicContact CG1-CE3 4.15Å; I972-W981 HydrophobicContact CG2-CB 4.25Å; K975-W981 VanDerWaalsContact CB-CD1 3.49Å; K975-W981 HydrophobicContact CB-CG 4.03Å; K975-W981 HydrophobicContact CD-CD2 3.96Å; K975-W981 HydrophobicContact CD-CE3 4.47Å; K975-W981 HydrophobicContact CD-CG 4.36Å; K975-W981 HydrophobicContact CD-CH2 4.42Å; K975-W981 HydrophobicContact CD-CZ2 3.87Å; K975-W981 HydrophobicContact CG-CB 4.38Å; K975-W981 HydrophobicContact CG-CD2 3.81Å; K975-W981 HydrophobicContact CG-CG 3.71Å; T977-W981 PolarHBondContact O-NE1 3.08Å; W981-A983 PolarHBondContact O-N 3.26Å; W981-F993 WeakPolarHBondContact O-CA 3.47Å; W981-A994 PolarHBondContact N-O 2.89Å; W981-A994 PolarHBondContact O-N 3.47Å; W981-A996 HydrophobicContact CD2-CB 3.82Å; W981-A996 VanDerWaalsContact CE2-CB 3.45Å; W981-A996 HydrophobicContact CE3-CB 4.4Å; W981-A996 HydrophobicContact CG-CB 4.21Å; W981-A996 HydrophobicContact CH2-CB 4.33Å; W981-A996 HydrophobicContact CZ2-CB 3.75Å; W981-I999 HydrophobicContact CE3-CD1 4.45Å; W981-I999 HydrophobicContact CZ3-CG2 4.42Å
982	M	93.4	Very high	88.7	Confident	27 Å²	27	73.2 Å²	73.2	13%	0.133	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.9	173.1	-179.8	59	68.5	0	0	108.4	L973 Y974 F993	L973-M982 HydrophobicContact CB-CG 4.25Å; L973-M982 HydrophobicContact CD1-CG 4.16Å; L973-M982 PolarHBondContact N-O 3.27Å; Y974-M982 HydrophobicContact CD1-CB 3.8Å; Y974-M982 HydrophobicContact CD1-CG 4.1Å; Y974-M982 HydrophobicContact CD2-CB 4.1Å; Y974-M982 HydrophobicContact CE1-CB 3.49Å; Y974-M982 VanDerWaalsContact CE1-CB 3.49Å; Y974-M982 HydrophobicContact CE1-CG 3.51Å; Y974-M982 HydrophobicContact CE2-CB 3.81Å; Y974-M982 HydrophobicContact CG-CB 4.09Å; Y974-M982 VanDerWaalsContact CZ-CB 3.48Å; Y974-M982 PolarHBondContact N-O 3.1Å; Y974-M982 PolarHBondContact O-N 3.11Å; M982-F993 HydrophobicContact CB-CD1 4.42Å; M982-F993 HydrophobicContact CB-CE1 4.33Å; M982-F993 HydrophobicContact CE-CD1 3.95Å; M982-F993 HydrophobicContact CE-CD2 3.94Å; M982-F993 HydrophobicContact CE-CE1 3.7Å; M982-F993 HydrophobicContact CE-CE2 3.68Å; M982-F993 HydrophobicContact CE-CG 4.07Å; M982-F993 HydrophobicContact CE-CZ 3.56Å
983	A	93.7	Very high	88.7	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.7	-173.7	0	0	0	0	0	111.4	L962 L970 I972 W981 Q991 G992 A994	L962-A983 HydrophobicContact CD2-CB 4.05Å; L970-A983 HydrophobicContact CB-CB 4.34Å; L970-A983 HydrophobicContact CD2-CB 3.78Å; I972-A983 HydrophobicContact CD1-CB 3.86Å; W981-A983 PolarHBondContact O-N 3.26Å; A983-Q991 VanDerWaalsContact O-CA 3.31Å; A983-Q991 WeakPolarHBondContact O-CA 3.49Å; A983-G992 PolarHBondContact N-O 2.91Å; A983-G992 PolarHBondContact O-N 2.79Å; A983-G992 VanDerWaalsContact O-N 3.08Å; A983-A994 HydrophobicContact CB-CB 3.95Å
984	K	93.3	Very high	88.9	Confident	82 Å²	82	70.3 Å²	70.3	36%	0.357	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.7	166.5	-176.1	166.3	177	162.9	0	109.1	K971 L973 V986 G989 Q990 Q991	K971-K984 PolarHBondContact N-O 3.44Å; K971-K984 PolarHBondContact O-N 2.85Å; L973-K984 HydrophobicContact CD1-CB 4.32Å; L973-K984 HydrophobicContact CD2-CB 4.33Å; L973-K984 HydrophobicContact CG-CB 4.39Å; K984-V986 PolarHBondContact O-N 2.76Å; K984-G989 WeakPolarHBondContact CE-O 3.31Å; K984-Q990 CarbonylContact C-O 3.56Å; K984-Q990 WeakPolarHBondContact CA-O 3.27Å; K984-Q991 HydrophobicContact CB-CG 3.85Å; K984-Q991 HydrophobicContact CD-CG 4.02Å; K984-Q991 HydrophobicContact CG-CG 3.8Å
985	L	93	Very high	89	Confident	6 Å²	6	65 Å²	65	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.6	173.2	-155	63.7	0	0	0	108.7	L962 F964 D968 L970 T987 T988 G989 Q990	L962-L985 HydrophobicContact CD1-CB 4.37Å; L962-L985 HydrophobicContact CD2-CB 4.2Å; F964-L985 HydrophobicContact CB-CD1 3.75Å; D968-L985 HydrophobicContact CB-CD1 3.77Å; L970-L985 HydrophobicContact CD1-CD1 4.41Å; L970-L985 HydrophobicContact CD2-CD1 4.27Å; L970-L985 HydrophobicContact CG-CD1 3.87Å; L985-T987 VanDerWaalsContact C-N 3.29Å; L985-T987 WeakPolarHBondContact CG-OG1 3.47Å; L985-T987 PolarHBondContact O-N 3.19Å; L985-T988 HydrophobicContact CD2-CG2 4.07Å; L985-T988 WeakPolarHBondContact CD2-OG1 3.49Å; L985-G989 VanDerWaalsContact O-CA 3.26Å; L985-G989 WeakPolarHBondContact O-CA 3.26Å; L985-G989 PolarHBondContact O-N 2.73Å; L985-Q990 PolarHBondContact N-O 3.31Å
986	V	89.2	Confident	89.1	Confident	85 Å²	85	60.2 Å²	60.2	52%	0.515	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.1	-176	176.2	0	0	0	0	111.3	K969 K971 K984	K969-V986 HydrophobicContact CB-CB 4.06Å; K969-V986 HydrophobicContact CB-CG2 4.06Å; K969-V986 WeakPolarHBondContact O-CB 3.4Å; K969-V986 VanDerWaalsContact O-CG2 3.31Å; K969-V986 WeakPolarHBondContact O-CG2 3.5Å; K969-V986 PolarHBondContact O-N 2.93Å; K971-V986 HydrophobicContact CB-CG2 4.33Å; K984-V986 PolarHBondContact O-N 2.76Å
987	T	84.7	Confident	89.8	Confident	96 Å²	96	61 Å²	61	59%	0.589	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-45.5	-177.5	49.9	0	0	0	0	113.7	L985	L985-T987 VanDerWaalsContact C-N 3.29Å; L985-T987 WeakPolarHBondContact CG-OG1 3.47Å; L985-T987 PolarHBondContact O-N 3.19Å
988	T	86.6	Confident	90.4	Very high	79 Å²	79	61.7 Å²	61.7	49%	0.485	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.5	-177.1	65.7	0	0	0	0	114.2	L985 Q990	L985-T988 HydrophobicContact CD2-CG2 4.07Å; L985-T988 WeakPolarHBondContact CD2-OG1 3.49Å; T988-Q990 PolarHBondContact O-N 3.5Å; T988-Q990 VanDerWaalsContact O-N 3.14Å; T988-Q990 WeakPolarHBondContact OG1-CB 3.23Å; T988-Q990 WeakPolarHBondContact OG1-CG 3.29Å; T988-Q990 PolarHBondContact OG1-N 2.8Å
989	G	87.2	Confident	91	Very high	30 Å²	30	56.1 Å²	56.1	31%	0.309	28%	0.279	S	S	.	.			trans	70.1	-1.9	-173.1	0	0	0	0	0	115.4	K984 L985	K984-G989 WeakPolarHBondContact CE-O 3.31Å; L985-G989 VanDerWaalsContact O-CA 3.26Å; L985-G989 WeakPolarHBondContact O-CA 3.26Å; L985-G989 PolarHBondContact O-N 2.73Å
990	Q	87.8	Confident	91	Very high	111 Å²	111	49.6 Å²	49.6	52%	0.519	26%	0.263	S	S	.	.			trans	-64.3	149.6	178.1	-67.8	179.5	-2.3	0	0	111.5	L962 K984 L985 T988	L962-Q990 HydrophobicContact CD1-CB 3.8Å; K984-Q990 CarbonylContact C-O 3.56Å; K984-Q990 WeakPolarHBondContact CA-O 3.27Å; L985-Q990 PolarHBondContact N-O 3.31Å; T988-Q990 PolarHBondContact O-N 3.5Å; T988-Q990 VanDerWaalsContact O-N 3.14Å; T988-Q990 WeakPolarHBondContact OG1-CB 3.23Å; T988-Q990 WeakPolarHBondContact OG1-CG 3.29Å; T988-Q990 PolarHBondContact OG1-N 2.8Å
991	Q	92.2	Very high	90.8	Very high	120 Å²	120	51 Å²	51	56%	0.561	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	141.4	-176.9	-69.7	173.8	73.3	0	0	110.5	L973 A983 K984	L973-Q991 HydrophobicContact CD1-CG 4.25Å; A983-Q991 VanDerWaalsContact O-CA 3.31Å; A983-Q991 WeakPolarHBondContact O-CA 3.49Å; K984-Q991 HydrophobicContact CB-CG 3.85Å; K984-Q991 HydrophobicContact CD-CG 4.02Å; K984-Q991 HydrophobicContact CG-CG 3.8Å
992	G	91.6	Very high	89.6	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	174.4	176.9	0	0	0	0	0	112.2	D960 A983	D960-G992 WeakPolarHBondContact O-CA 3.35Å; A983-G992 PolarHBondContact N-O 2.91Å; A983-G992 PolarHBondContact O-N 2.79Å; A983-G992 VanDerWaalsContact O-N 3.08Å
993	F	92.1	Very high	87.8	Confident	25 Å²	25	57 Å²	57	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.3	174.6	-68.1	-71	0	0	0	111	D960 E961 L962 D976 W980 W981 M982	D960-F993 HydrophobicContact CB-CD2 4.22Å; D960-F993 VanDerWaalsContact O-CD2 3.31Å; D960-F993 WeakPolarHBondContact O-CD2 3.31Å; D960-F993 PolarHBondContact O-N 3.37Å; E961-F993 CarbonylContact C-O 3.55Å; E961-F993 VanDerWaalsContact CA-O 3.27Å; E961-F993 WeakPolarHBondContact CA-O 3.36Å; E961-F993 HydrophobicContact CG-CB 4.43Å; L962-F993 PolarHBondContact N-O 3.43Å; D976-F993 HydrophobicContact CB-CD1 4.43Å; D976-F993 HydrophobicContact CB-CE1 3.76Å; W980-F993 HydrophobicContact CB-CD1 4.49Å; W980-F993 HydrophobicContact CE3-CB 4Å; W981-F993 WeakPolarHBondContact O-CA 3.47Å; M982-F993 HydrophobicContact CB-CD1 4.42Å; M982-F993 HydrophobicContact CB-CE1 4.33Å; M982-F993 HydrophobicContact CE-CD1 3.95Å; M982-F993 HydrophobicContact CE-CD2 3.94Å; M982-F993 HydrophobicContact CE-CE1 3.7Å; M982-F993 HydrophobicContact CE-CE2 3.68Å; M982-F993 HydrophobicContact CE-CG 4.07Å; M982-F993 HydrophobicContact CE-CZ 3.56Å
994	A	93.4	Very high	85.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.1	176.1	0	0	0	0	0	109.1	F964 L970 W981 A983 A996 I999	F964-A994 HydrophobicContact CD1-CB 4.33Å; F964-A994 HydrophobicContact CE1-CB 3.56Å; F964-A994 HydrophobicContact CZ-CB 4.23Å; L970-A994 HydrophobicContact CD2-CB 4.08Å; W981-A994 PolarHBondContact N-O 2.89Å; W981-A994 PolarHBondContact O-N 3.47Å; A983-A994 HydrophobicContact CB-CB 3.95Å; A994-A996 PolarHBondContact O-N 2.85Å; A994-I999 HydrophobicContact CB-CD1 3.54Å
995	P	92.9	Very high	82.4	Confident	7 Å²	7	63.3 Å²	63.3	5%	0.045	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.2	-175.9	23	-29.9	0	0	0	111.5	Y954 R979 W980 N997 Y998 I999	Y954-P995 HydrophobicContact CD1-CG 4.19Å; Y954-P995 HydrophobicContact CD2-CG 3.77Å; Y954-P995 HydrophobicContact CE1-CG 4.16Å; Y954-P995 HydrophobicContact CE2-CG 3.76Å; Y954-P995 HydrophobicContact CG-CG 4.02Å; R979-P995 CarbonylContact O-C 3.55Å; R979-P995 VanDerWaalsContact O-CA 3.3Å; R979-P995 WeakPolarHBondContact O-CA 3.35Å; W980-P995 HydrophobicContact CD2-CB 4.46Å; W980-P995 HydrophobicContact CE3-CB 4.08Å; W980-P995 HydrophobicContact CZ3-CB 4.13Å; W980-P995 HydrophobicContact CZ3-CG 4.23Å; P995-N997 PolarHBondContact O-N 2.86Å; P995-N997 VanDerWaalsContact O-N 3.07Å; P995-Y998 HydrophobicContact CB-CD2 3.93Å; P995-Y998 HydrophobicContact CG-CD2 3.57Å; P995-Y998 HydrophobicContact CG-CE2 4.18Å; P995-Y998 HydrophobicContact CG-CG 3.81Å; P995-Y998 WeakPolarHBondContact O-CB 3.49Å; P995-Y998 PolarHBondContact O-N 3.44Å; P995-I999 WeakPolarHBondContact O-CG1 3.33Å
996	A	91	Very high	79.5	Confident	14 Å²	14	71.5 Å²	71.5	12%	0.116	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.6	-170.4	0	0	0	0	0	114.1	R979 W981 A994 Y998	R979-A996 PolarHBondContact O-N 3.17Å; W981-A996 HydrophobicContact CD2-CB 3.82Å; W981-A996 VanDerWaalsContact CE2-CB 3.45Å; W981-A996 HydrophobicContact CE3-CB 4.4Å; W981-A996 HydrophobicContact CG-CB 4.21Å; W981-A996 HydrophobicContact CH2-CB 4.33Å; W981-A996 HydrophobicContact CZ2-CB 3.75Å; A994-A996 PolarHBondContact O-N 2.85Å; A996-Y998 VanDerWaalsContact C-N 3.32Å
997	N	91.4	Very high	76.7	Confident	105 Å²	105	75.7 Å²	75.7	56%	0.561	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-85	-0.2	177.4	67.6	-78.3	0	0	0	114.2	P995	P995-N997 PolarHBondContact O-N 2.86Å; P995-N997 VanDerWaalsContact O-N 3.07Å
998	Y	92.5	Very high	74.1	Confident	69 Å²	69	78.3 Å²	78.3	27%	0.271	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-98	2.8	171.8	-79.8	-117.1	0	0	0	112.2	A950 L951 Y952 D953 Y954 F964 P995 A996	A950-Y998 CarbonylContact C-O 3.58Å; A950-Y998 WeakPolarHBondContact CA-O 3.47Å; L951-Y998 PolarHBondContact N-O 2.97Å; Y952-Y998 HydrophobicContact CD2-CD1 4.02Å; Y952-Y998 HydrophobicContact CD2-CE1 4.33Å; Y952-Y998 HydrophobicContact CD2-CG 4.22Å; Y952-Y998 HydrophobicContact CG-CD1 4.36Å; Y952-Y998 HydrophobicContact CG-CE1 4.48Å; D953-Y998 WeakPolarHBondContact O-CE1 3.26Å; Y954-Y998 AromaticContact CD2-CD1 3.99Å; Y954-Y998 HydrophobicContact CD2-CD1 3.99Å; Y954-Y998 AromaticContact CD2-CE1 3.74Å; Y954-Y998 HydrophobicContact CD2-CE1 3.74Å; Y954-Y998 HydrophobicContact CD2-CE2 4.47Å; Y954-Y998 HydrophobicContact CD2-CG 4.49Å; Y954-Y998 HydrophobicContact CG-CD1 4.33Å; Y954-Y998 HydrophobicContact CG-CE1 4.44Å; F964-Y998 HydrophobicContact CE2-CD1 4.45Å; P995-Y998 HydrophobicContact CB-CD2 3.93Å; P995-Y998 HydrophobicContact CG-CD2 3.57Å; P995-Y998 HydrophobicContact CG-CE2 4.18Å; P995-Y998 HydrophobicContact CG-CG 3.81Å; P995-Y998 WeakPolarHBondContact O-CB 3.49Å; P995-Y998 PolarHBondContact O-N 3.44Å; A996-Y998 VanDerWaalsContact C-N 3.32Å
999	I	92.2	Very high	71.6	Confident	12 Å²	12	81.1 Å²	81.1	6%	0.062	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.2	-163.7	-55.1	169.7	0	0	0	109.1	F948 I972 W981 A994 P995	F948-I999 HydrophobicContact CB-CG2 3.32Å; F948-I999 HydrophobicContact CD1-CG2 3.8Å; F948-I999 HydrophobicContact CG-CG2 3.86Å; I972-I999 HydrophobicContact CD1-CD1 4.34Å; I972-I999 HydrophobicContact CD1-CG2 4.4Å; W981-I999 HydrophobicContact CE3-CD1 4.45Å; W981-I999 HydrophobicContact CZ3-CG2 4.42Å; A994-I999 HydrophobicContact CB-CD1 3.54Å; P995-I999 WeakPolarHBondContact O-CG1 3.33Å
1000	S	89.3	Confident	68.7	Low	54 Å²	54	85.8 Å²	85.8	38%	0.378	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.2	177.7	-175.1	0	0	0	0	111.6	F948 T949	F948-S1000 CarbonylContact C-O 3.57Å; F948-S1000 WeakPolarHBondContact CA-O 3.18Å; F948-S1000 VanDerWaalsContact CB-O 3.23Å; F948-S1000 WeakPolarHBondContact CB-O 3.46Å; F948-S1000 VanDerWaalsContact CD1-C 3.45Å; T949-S1000 PolarHBondContact N-O 2.88Å; T949-S1000 PolarHBondContact O-N 3.46Å
1001	E	85.2	Confident	66.1	Low	106 Å²	106	85.8 Å²	85.8	50%	0.495	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.5	178.4	-157.4	159.1	162.3	0	0	110.5	F948 I1003	F948-E1001 VanDerWaalsContact CD1-CA 3.41Å; F948-E1001 HydrophobicContact CD1-CB 3.88Å; F948-E1001 HydrophobicContact CD1-CG 4.31Å; F948-E1001 VanDerWaalsContact CD1-N 3.32Å; F948-E1001 HydrophobicContact CE1-CB 3.55Å; F948-E1001 HydrophobicContact CE1-CG 3.75Å; F948-E1001 HydrophobicContact CE2-CG 4.25Å; F948-E1001 HydrophobicContact CZ-CB 4.05Å; F948-E1001 HydrophobicContact CZ-CG 3.69Å; E1001-I1003 PolarHBondContact O-N 3.36Å; E1001-I1003 VanDerWaalsContact O-N 3.1Å
1002	D	69.9	Low	63.1	Low	35 Å²	35	88 Å²	88	19%	0.187	47%	0.473	C	S	.	.			trans	-79.7	88.5	176	-80.6	-40.3	0	0	0	110.1	I947 K969 H1004	I947-D1002 PolarHBondContact O-N 3.33Å; K969-D1002 VanDerWaalsContact CD-OD2 3.23Å; K969-D1002 WeakPolarHBondContact CD-OD2 3.47Å; K969-D1002 WeakPolarHBondContact CE-OD2 3.47Å; K969-D1002 IonicContact NZ-OD1 2.76Å; K969-D1002 PolarHBondContact NZ-OD1 3.14Å; K969-D1002 IonicContact NZ-OD2 2.73Å; K969-D1002 PolarHBondContact NZ-OD2 3.17Å; D1002-H1004 PolarHBondContact O-N 3.16Å; D1002-H1004 VanDerWaalsContact O-N 3.08Å
1003	I	54.2	Low	60.1	Low	157 Å²	157	95.2 Å²	95.2	81%	0.805	51%	0.506	S	S	*	.			trans	-70.6	102.8	167.2	-55.4	177.1	0	0	0	107.5	E1001 G1005	E1001-I1003 PolarHBondContact O-N 3.36Å; E1001-I1003 VanDerWaalsContact O-N 3.1Å; I1003-G1005 PolarHBondContact O-N 2.93Å
1004	H	42.6	Very low	57.1	Low	156 Å²	156	101.5 Å²	101.5	72%	0.722	54%	0.54	S	S	*	.			trans	-64.4	95.5	167.8	-81.9	-88	0	0	0	109.5	D1002	D1002-H1004 PolarHBondContact O-N 3.16Å; D1002-H1004 VanDerWaalsContact O-N 3.08Å
1005	G	32.1	Very low	54	Low	59 Å²	59	105.7 Å²	105.7	61%	0.608	57%	0.574	S	S	*	*			trans	-72	134.6	163.6	0	0	0	0	0	109.8	I1003 D1007	I1003-G1005 PolarHBondContact O-N 2.93Å; G1005-D1007 PolarHBondContact O-N 3.08Å
1006	E	30.6	Very low	50.8	Low	178 Å²	178	110.3 Å²	110.3	83%	0.832	61%	0.607	S	S	*	*			trans	-76.5	105.5	168.8	-64.3	-178.7	140.1	0	0	108.5	N1008	E1006-N1008 PolarHBondContact O-N 3.45Å
1007	D	30.9	Very low	47.7	Very low	173 Å²	173	115.2 Å²	115.2	93%	0.925	64%	0.636	S	S	*	*			trans	-66.5	96.7	167.4	-77.6	-41.9	0	0	0	108.8	G1005	G1005-D1007 PolarHBondContact O-N 3.08Å
1008	N	31.4	Very low	44.9	Very low	151 Å²	151	117.7 Å²	117.7	81%	0.807	65%	0.649	S	S	*	*			trans	-118.7	138	168.4	-117.6	-41.6	0	0	0	109.5	E1006	E1006-N1008 PolarHBondContact O-N 3.45Å
1009	D	32.7	Very low	41.9	Very low	139 Å²	139	123.7 Å²	123.7	74%	0.743	68%	0.676	S	S	*	*			trans	-84.7	142	-150.6	-135.1	-20.6	0	0	0	114.5
1010	N	27.5	Very low	39.1	Very low	127 Å²	127	129 Å²	129	68%	0.679	71%	0.712	S	S	*	*			trans	69.9	158.2	155.6	-69.2	-63.9	0	0	0	122.8
1011	S	32	Very low	36.3	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	73%	0.732	S	S	*	*			trans	63.8	102.1	177.3	62.1	0	0	0	0	116.4
1012	Q	29.8	Very low	33.9	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	74%	0.739	S	S	*	*				86.6	134	53.8	-73.8	-163	21.1	0	0	116.2
1013	Q	29	Very low	32.1	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	76%	0.763	S	S	*	*			trans	82.5	148.5	155.1	-71.1	172.7	45.9	0	0	121.1
1014	L	28.9	Very low	31	Very low	156 Å²	156	135.7 Å²	135.7	82%	0.817	76%	0.762	S	S	*	*			trans	60.1	99.7	161.1	-63.5	154.3	0	0	0	116.4
1015	A	27.1	Very low	30.4	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	77%	0.765	S	S	*	*			cis	78.9	112.2	41	0	0	0	0	0	116.6
1016	S	27.1	Very low	30.4	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	77%	0.765	S	S	*	*			trans	97.8	134.3	140.1	82.5	0	0	0	0	122.4
1017	T	26.2	Very low	30.4	Very low	117 Å²	117	136.3 Å²	136.3	72%	0.718	76%	0.763	S	S	*	*			trans	92.9	138.6	150.8	75.7	0	0	0	0	122.6
1018	N	32.3	Very low	30.5	Very low	156 Å²	156	134.1 Å²	134.1	83%	0.834	76%	0.756	S	S	*	*			trans	89.2	110.2	147.9	-60.7	-24.8	0	0	0	123.2
1019	K	29.3	Very low	30.5	Very low	195 Å²	195	134.2 Å²	134.2	85%	0.848	75%	0.751	S	S	*	*			trans	-56.2	166.8	159.5	-90.6	174.4	179.4	175.9	0	113.1
1020	P	32.3	Very low	30	Very low	125 Å²	125	135.2 Å²	135.2	81%	0.812	76%	0.755	S	S	*	*			cis	-150.5	171.4	44.6	41.8	-20.1	0	0	0	122.3
1021	N	31.9	Very low	30.1	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	76%	0.756	S	S	*	*			trans	-49.4	-177.6	160.4	-105.7	16.8	0	0	0	116.6
1022	P	35.3	Very low	30	Very low	99 Å²	99	139.9 Å²	139.9	64%	0.643	76%	0.758	S	S	*	*			cis	-141.3	-173.3	-8.6	34.8	-13.6	0	0	0	116.8
1023	S	31.6	Very low	29.9	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	75%	0.752	S	S	*	*			trans	73.7	148.1	148.6	75.6	0	0	0	0	118.3
1024	N	30	Very low	29.8	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	75%	0.754	S	S	*	*			cis	-146.9	160.9	-3.8	-91.1	-30.8	0	0	0	106.6
1025	L	31.2	Very low	29.9	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	76%	0.758	S	S	*	*				-177.2	150.4	52.1	-125.8	140	0	0	0	110.3
1026	S	31.4	Very low	29.9	Very low	87 Å²	87	138.8 Å²	138.8	61%	0.608	76%	0.757	S	S	*	*			trans	34.1	115.8	158.5	57.5	0	0	0	0	121
1027	E	30.9	Very low	30	Very low	168 Å²	168	143.2 Å²	143.2	79%	0.785	77%	0.767	S	S	*	*				65.6	137.4	73	-65.4	-178.1	170.5	0	0	114.4
1028	T	32.5	Very low	30	Very low	127 Å²	127	145.9 Å²	145.9	78%	0.779	77%	0.771	S	S	*	*			cis	-147.3	158.4	29	52.8	0	0	0	0	111.8
1029	H	30.6	Very low	29.9	Very low	152 Å²	152	146.9 Å²	146.9	70%	0.704	77%	0.771	S	S	*	*			cis	-165.9	125.9	-25.4	-153.9	-68.1	0	0	0	106.4
1030	L	24.1	Very low	30	Very low	160 Å²	160	145.1 Å²	145.1	84%	0.838	77%	0.769	S	S	*	*			trans	-148.7	146.5	179.9	-131.9	176.4	0	0	0	108.3
1031	K	28	Very low	29.7	Very low	158 Å²	158	147.1 Å²	147.1	69%	0.687	77%	0.772	S	S	*	*			trans	72	124.3	-175.8	-48.7	171.5	-178.9	176.5	0	115.7	L1033	K1031-L1033 HydrophobicContact CB-CD1 4.34Å; K1031-L1033 HydrophobicContact CB-CG 4.23Å
1032	H	30.1	Very low	29.6	Very low	179 Å²	179	146.3 Å²	146.3	83%	0.829	77%	0.768	S	S	*	*				-132.8	120.7	107.3	-102.5	-101	0	0	0	104.8
1033	L	27.7	Very low	29.4	Very low	121 Å²	121	150.6 Å²	150.6	63%	0.634	78%	0.776	S	S	*	*				80.5	123.3	54.2	-76.6	164.7	0	0	0	113.7	K1031	K1031-L1033 HydrophobicContact CB-CD1 4.34Å; K1031-L1033 HydrophobicContact CB-CG 4.23Å
1034	N	27.3	Very low	29.3	Very low	147 Å²	147	151.3 Å²	151.3	79%	0.786	78%	0.776	S	S	*	*			trans	-43.1	153.6	166.1	-41	-13.2	0	0	0	112.3
1035	L	30	Very low	29.3	Very low	173 Å²	173	151.1 Å²	151.1	91%	0.906	78%	0.775	S	S	*	*				-159.3	160.3	118.5	-105.5	157	0	0	0	110.5
1036	S	27.5	Very low	29.3	Very low	101 Å²	101	150.3 Å²	150.3	71%	0.706	77%	0.772	S	S	*	*			trans	-95.3	142.7	-175.4	50.8	0	0	0	0	111.8
1037	E	29.7	Very low	29.4	Very low	198 Å²	198	155.5 Å²	155.5	93%	0.925	78%	0.783	S	S	*	*			trans	-134.4	100.3	157.3	-103.2	172.6	-178.2	0	0	109.5
1038	E	27.2	Very low	29.3	Very low	174 Å²	174	153.1 Å²	153.1	81%	0.813	79%	0.785	S	S	*	*			trans	-73	171	147	-73.4	-166.7	122.4	0	0	109.4
1039	Q	29.3	Very low	29.3	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	78%	0.783	S	S	*	*			trans	85	152	172.3	-47.1	-174.4	8.7	0	0	116.6
1040	I	31.8	Very low	29.4	Very low	158 Å²	158	148.7 Å²	148.7	81%	0.81	79%	0.787	S	S	*	*			trans	72.6	52	174.7	-37.1	-179.7	0	0	0	115.7	N1042	I1040-N1042 PolarHBondContact O-N 2.95Å
1041	L	25.4	Very low	29.8	Very low	168 Å²	168	146.7 Å²	146.7	88%	0.88	78%	0.782	S	S	*	*			trans	-70.9	103.9	138.9	176.6	82.2	0	0	0	108.5
1042	N	29.6	Very low	30	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	79%	0.786	S	S	*	*			trans	-174.3	144.8	153.9	-113	-59.2	0	0	0	115.1	I1040	I1040-N1042 PolarHBondContact O-N 2.95Å
1043	K	31.6	Very low	30	Very low	188 Å²	188	145.8 Å²	145.8	82%	0.817	78%	0.782	S	S	*	*			trans	62.8	149.8	162.8	-66.3	176.3	-178.1	176.3	0	117.8
1044	V	29.4	Very low	30.3	Very low	116 Å²	116	148 Å²	148	70%	0.703	79%	0.794	S	S	*	*			cis	-171.1	161.6	-34.7	117.3	0	0	0	0	105.8
1045	N	30.8	Very low	30.4	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	79%	0.793	S	S	*	*			trans	103.7	134.5	178.2	-57.2	-34.2	0	0	0	112.8
1046	D	30.7	Very low	30.5	Very low	134 Å²	134	147.4 Å²	147.4	72%	0.717	79%	0.791	S	S	*	*			cis	160.8	160.5	-23.7	-109.7	-21.2	0	0	0	105.2
1047	K	33.4	Very low	30.6	Very low	196 Å²	196	153.7 Å²	153.7	85%	0.852	80%	0.8	S	S	*	*			trans	76.1	137	173.9	-51.7	171.6	-173.2	175.3	0	116.2
1048	S	29.5	Very low	30.5	Very low	118 Å²	118	151.5 Å²	151.5	83%	0.825	79%	0.793	S	S	*	*			cis	168	133.5	-40.7	46.4	0	0	0	0	108.4
1049	G	32.2	Very low	30.6	Very low	71 Å²	71	151 Å²	151	73%	0.732	80%	0.796	S	S	*	*			trans	134.3	96.4	176.6	0	0	0	0	0	110.6
1050	S	31.4	Very low	30.6	Very low	114 Å²	114	149.1 Å²	149.1	80%	0.797	79%	0.791	S	S	*	*				64.8	121.8	78.6	-158.1	0	0	0	0	111
1051	V	33.9	Very low	30.4	Very low	119 Å²	119	147.5 Å²	147.5	72%	0.721	79%	0.794	S	S	*	*				-142.4	137.1	50.4	167.5	0	0	0	0	113.7
1052	K	32.3	Very low	30.6	Very low	179 Å²	179	142.7 Å²	142.7	78%	0.778	79%	0.785	S	S	*	*			trans	24.5	117.2	152.4	-54.9	169.9	-174	179.3	0	118.6
1053	N	29.6	Very low	30.7	Very low	139 Å²	139	142 Å²	142	74%	0.743	79%	0.79	S	S	*	*				63.4	122.4	66.7	-70.1	-0.3	0	0	0	116
1054	N	33.4	Very low	30.8	Very low	166 Å²	166	140.2 Å²	140.2	89%	0.888	79%	0.788	S	S	*	*				-153.3	144.6	118.7	-103.2	-13.1	0	0	0	111.1
1055	N	29.1	Very low	31	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	79%	0.787	S	S	*	*			trans	-105.9	170.9	176.2	-66.9	-60.8	0	0	0	110.3
1056	L	31.9	Very low	31.2	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	79%	0.787	S	S	*	*			trans	152.4	112.7	146.2	-81.9	157.2	0	0	0	106.6
1057	R	31.2	Very low	31.3	Very low	234 Å²	234	140.4 Å²	140.4	88%	0.883	79%	0.785	S	S	*	*				63.7	136.4	60.8	-88.2	-168.7	173.5	-173.4	-1.2	115.2
1058	L	26.4	Very low	31.3	Very low	151 Å²	151	137.6 Å²	137.6	79%	0.791	78%	0.778	S	S	*	*			trans	-46.9	152.1	-174.2	-59.7	71.9	0	0	0	115
1059	L	30	Very low	31.4	Very low	165 Å²	165	137.9 Å²	137.9	86%	0.864	77%	0.77	S	S	*	*				-171	171.4	116.1	-99.9	161.3	0	0	0	111.9
1060	D	28.2	Very low	31.4	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	77%	0.773	S	S	*	*			trans	-101.6	166.6	-167.1	-60	-84.8	0	0	0	115.4
1061	S	28.1	Very low	31.4	Very low	124 Å²	124	140.5 Å²	140.5	87%	0.867	77%	0.766	S	S	*	*			trans	78.2	154.9	144.6	76.2	0	0	0	0	121.9
1062	G	31	Very low	31.3	Very low	67 Å²	67	143.2 Å²	143.2	69%	0.691	77%	0.77	S	S	*	*			trans	93.2	109.2	170.6	0	0	0	0	0	114.6
1063	S	31.1	Very low	31.3	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	78%	0.775	S	S	*	*			cis	86.1	162.3	39	85.2	0	0	0	0	114.6
1064	I	33.6	Very low	31.5	Very low	151 Å²	151	141.2 Å²	141.2	77%	0.774	77%	0.774	S	S	*	*			trans	91	127.6	-172.9	-54	167.2	0	0	0	114.2
1065	D	33.7	Very low	31.3	Very low	129 Å²	129	141.7 Å²	141.7	69%	0.69	77%	0.771	S	S	*	*			cis	-167.1	179.1	-30.1	-102.8	-36.6	0	0	0	109.7
1066	D	34.7	Very low	31.3	Very low	139 Å²	139	140 Å²	140	74%	0.743	77%	0.766	S	S	*	*			trans	70.8	140.8	156.8	-71.4	-33	0	0	0	121.2
1067	N	31.8	Very low	31.2	Very low	126 Å²	126	142.5 Å²	142.5	67%	0.674	76%	0.764	S	S	*	*			cis	-165.5	175	-29	-142.4	-49.7	0	0	0	111.2
1068	I	34.1	Very low	31	Very low	137 Å²	137	139.8 Å²	139.8	70%	0.703	76%	0.762	S	S	*	*			trans	76.3	91.6	158.7	-60	157.3	0	0	0	118.5
1069	N	31.7	Very low	31.1	Very low	125 Å²	125	138.2 Å²	138.2	67%	0.668	76%	0.763	S	S	*	*				55.8	129.6	119.9	-56.1	-19.2	0	0	0	123.8
1070	N	31.4	Very low	31.1	Very low	146 Å²	146	137.4 Å²	137.4	78%	0.781	76%	0.76	S	S	*	*			trans	68.1	150.4	133.5	-63.6	-4.3	0	0	0	120
1071	S	31.3	Very low	31.2	Very low	93 Å²	93	140 Å²	140	65%	0.65	77%	0.769	S	S	*	*			cis	-168.8	174.7	-18.8	49.8	0	0	0	0	110.1
1072	E	31.9	Very low	31.3	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	76%	0.761	S	S	*	*			trans	70.1	101.7	160.8	-56.1	-164.6	145.4	0	0	120.8
1073	N	32.1	Very low	31.3	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	77%	0.772	S	S	*	*			trans	46.7	141.2	133.1	-80.9	-24.8	0	0	0	123.9
1074	P	34.5	Very low	31.4	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	77%	0.767	S	S	*	*			trans	-105.8	153.1	-173.5	40.1	-34	0	0	0	115.5
1075	Q	30.1	Very low	31.3	Very low	177 Å²	177	141.6 Å²	141.6	83%	0.827	77%	0.768	S	S	*	*			trans	-159	148.8	145.9	-118.9	176.7	54.7	0	0	114.6
1076	T	28.5	Very low	31.3	Very low	106 Å²	106	143.2 Å²	143.2	65%	0.65	78%	0.775	S	S	*	*			trans	64.8	122.2	156.8	49.7	0	0	0	0	122.8
1077	R	29.1	Very low	31.1	Very low	219 Å²	219	142.9 Å²	142.9	83%	0.826	77%	0.773	S	S	*	*			trans	77.7	110.7	134	-67.7	174.2	-178.5	-175	0.7	121.5
1078	Q	27.1	Very low	31.3	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	78%	0.78	S	S	*	*				46.8	112.2	126.3	-64.2	177.2	-32.4	0	0	119.6
1079	S	30.2	Very low	31.1	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	78%	0.781	S	S	*	*				158.1	154.2	101.3	57.1	0	0	0	0	114
1080	N	28.1	Very low	31.1	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	79%	0.786	S	S	*	*			trans	-23.1	134.4	174.9	-48.3	-18.8	0	0	0	118.4
1081	M	31	Very low	31.1	Very low	189 Å²	189	146.1 Å²	146.1	93%	0.931	79%	0.787	S	S	*	*				176.2	141.3	96.4	-87.3	-135	-67.6	0	0	114.4
1082	G	29.5	Very low	31.2	Very low	67 Å²	67	147.9 Å²	147.9	69%	0.691	79%	0.794	S	S	*	*			trans	98	140.2	137.6	0	0	0	0	0	119.9
1083	L	32.5	Very low	31.2	Very low	176 Å²	176	147.6 Å²	147.6	92%	0.921	80%	0.798	S	S	*	*			trans	68.5	145.1	158.6	-49.7	174.4	0	0	0	118
1084	S	32.9	Very low	31.2	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	80%	0.795	S	S	*	*			cis	-163.7	147.3	-26.2	49	0	0	0	0	110.7
1085	N	30.1	Very low	31.1	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	80%	0.801	S	S	*	*			trans	-34	138.9	-176.3	-49.6	-7	0	0	0	118.7
1086	I	33.8	Very low	31.2	Very low	162 Å²	162	143 Å²	143	83%	0.831	80%	0.801	S	S	*	*			trans	-132.9	119.4	137.5	-62.2	-176.4	0	0	0	108.1
1087	D	30.8	Very low	31.4	Very low	133 Å²	133	143 Å²	143	71%	0.711	81%	0.806	S	S	*	*			trans	-82.3	135.1	173.6	-88	-43.1	0	0	0	111.3
1088	I	36.6	Very low	31.5	Very low	159 Å²	159	139.6 Å²	139.6	82%	0.815	80%	0.801	S	S	*	*			trans	-127.8	109.5	159.9	-59.3	-177.7	0	0	0	108.4
1089	K	29.6	Very low	31.8	Very low	167 Å²	167	139.8 Å²	139.8	73%	0.726	80%	0.799	S	S	*	*			trans	-81.7	142.3	-175.5	-66	174.7	-179.1	172.2	0	111.5
1090	P	32.9	Very low	31.9	Very low	119 Å²	119	144.1 Å²	144.1	77%	0.773	80%	0.803	S	S	*	*			trans	-67.7	135.8	166.7	29.7	-33.7	0	0	0	110.1	T1092	P1090-T1092 PolarHBondContact O-N 3.3Å
1091	I	31.1	Very low	32.1	Very low	156 Å²	156	149.3 Å²	149.3	80%	0.8	81%	0.811	S	S	*	*			trans	-78.5	111.8	-179.9	-64.8	174.1	0	0	0	109.8
1092	T	32.4	Very low	32.1	Very low	130 Å²	130	150.2 Å²	150.2	80%	0.798	81%	0.81	S	S	*	*			trans	-85.8	111.4	168.8	34.2	0	0	0	0	110.9	P1090 N1094	P1090-T1092 PolarHBondContact O-N 3.3Å; T1092-N1094 PolarHBondContact O-N 3.32Å
1093	L	33	Very low	32.4	Very low	171 Å²	171	152.1 Å²	152.1	90%	0.895	81%	0.813	S	S	*	*			trans	-87.7	102.4	166.1	-84.9	166.8	0	0	0	109.7
1094	N	32.3	Very low	32.5	Very low	153 Å²	153	149.1 Å²	149.1	82%	0.818	81%	0.806	S	S	*	*			trans	-81.6	158.8	-179.5	-127.9	-6	0	0	0	111.7	T1092	T1092-N1094 PolarHBondContact O-N 3.32Å
1095	S	30.8	Very low	32.6	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	81%	0.811	S	S	*	*			trans	-71.8	138.2	-176.7	47.1	0	0	0	0	113.5
1096	G	33.3	Very low	32.6	Very low	80 Å²	80	153.5 Å²	153.5	83%	0.825	82%	0.817	S	S	*	*			trans	-135.7	143.7	170.9	0	0	0	0	0	109.9
1097	S	31.4	Very low	32.6	Very low	108 Å²	108	151.1 Å²	151.1	76%	0.755	81%	0.812	S	S	*	*			trans	-114.3	145.4	-168.4	67	0	0	0	0	113.2
1098	M	31.3	Very low	32.7	Very low	147 Å²	147	151.5 Å²	151.5	72%	0.724	81%	0.813	S	S	*	*				158.4	149.2	122	-86.5	-148.2	170.2	0	0	115.9
1099	K	34	Very low	32.6	Very low	180 Å²	180	149.1 Å²	149.1	78%	0.783	81%	0.808	S	S	*	*			trans	67.3	92.7	145	-72.9	164.3	179.6	161.4	0	120.6
1100	K	31.8	Very low	32.7	Very low	208 Å²	208	146.6 Å²	146.6	90%	0.904	81%	0.807	S	S	*	*			trans	-10.6	133.9	142.9	-60.5	170.5	177.2	173.7	0	116.9
1101	R	32.5	Very low	32.9	Very low	259 Å²	259	148.6 Å²	148.6	98%	0.977	81%	0.81	S	S	*	*			trans	-147.2	154.9	134.9	-118.9	172.4	178.1	166.7	-1.1	110.9
1102	K	30.9	Very low	33.2	Very low	207 Å²	207	152.2 Å²	152.2	90%	0.9	83%	0.831	S	S	*	*			trans	-106.1	146.5	-173.5	-54.1	168.4	176.6	174.8	0	110.4
1103	S	36.4	Very low	33.3	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	83%	0.833	S	S	*	*			trans	-179.9	140.5	133.2	51.6	0	0	0	0	114.9
1104	S	33.8	Very low	33.3	Very low	112 Å²	112	152.4 Å²	152.4	78%	0.783	83%	0.83	S	S	*	*			trans	45.5	120.3	145.3	59.1	0	0	0	0	121.7
1105	A	35	Very low	33.4	Very low	98 Å²	98	152.4 Å²	152.4	81%	0.81	83%	0.831	S	S	*	*			trans	-80	160.5	168.4	0	0	0	0	0	114.3
1106	R	30.9	Very low	33.5	Very low	245 Å²	245	154.2 Å²	154.2	93%	0.925	83%	0.829	S	S	*	*			trans	-148.1	148.5	132.6	-98.8	-175.7	-174.2	-146.5	0.4	109.8
1107	P	33.5	Very low	33.5	Very low	111 Å²	111	158.8 Å²	158.8	72%	0.721	83%	0.829	S	S	*	*			trans	-100.3	-166	-178.6	41.3	-36.8	0	0	0	112.6
1108	L	34.1	Very low	33.7	Very low	141 Å²	141	162.2 Å²	162.2	74%	0.738	83%	0.834	S	S	*	*			trans	77.8	154.8	172.5	-70.7	165.2	0	0	0	114.6
1109	P	33	Very low	33.8	Very low	109 Å²	109	163.3 Å²	163.3	71%	0.708	84%	0.842	S	S	*	*			cis	-106.9	146.8	18.1	39.3	-32	0	0	0	116.9
1110	T	31.3	Very low	33.8	Very low	114 Å²	114	162 Å²	162	70%	0.699	85%	0.847	S	S	*	*			trans	-68.3	131.3	141	44	0	0	0	0	108.4
1111	L	38	Very low	34	Very low	162 Å²	162	158.2 Å²	158.2	85%	0.848	84%	0.842	S	S	*	*			trans	-97.3	150	163.6	-86	158.3	0	0	0	109.1
1112	N	38.5	Very low	34.1	Very low	232 Å²	232	149 Å²	149	100%	1.241	83%	0.83	S	S	*	*			trans	-68.2	0	-163.5	-58.5	-20.7	0	0	0	114.2

Retrieved 1,112 of 1,112 residues in 528.3 ms (Link to these results)

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