A0A023GRW3_DROME Loading...

Uncharacterized protein, isoform D

AlphaFold DB , UniProt , Accession A0A023GRW3, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG4896, Length 949 aa.

						>A0A023GRW3_DROME|A0A023GRW3|Dmel\CG4896
MDSRYGHSFSGGNGNGSESGYRRYSRSRSRSRERSRDRNEYRRRNSRSRSRERSSHYRNDRSPDRDLYRDLINEDYEDQGNYNSRQNLDQRHGEDKYDRRHADSQGRRDHDSNYDKSGQDMDKDRDHRWKNYDRVSRERNHDDFDRGSERSSRSNDQRQFNNNGNSNSSSSYRDREKERDRDRRCSSDEDSDMASEFRQRGAYNSGSSVEPLNNIILFGLKKHVTEADIMGELIKVDLEPTSIRVMRKQQTGASRCFAFVEFKTVEEATRWMELTQGVLQLGDHRVTMQYSHTRISDWTCIKCGASNFKRRFQCYMCNASRAESENALYGAGEGVDEISQILTKKIMLRGLDALTNEEGVLTALQQRLPELAKTVSKVLVSRDALTNASRGICYLNFDTLIDSMNVFNGLTALDPPLTLDDKTVIVTYCIDSENRQMMPAEGNFFRAGETAMSPSAITAAYTLADVPRLAEYSASVYASNPLEHANYVQYYTDYYTTEISKNCRDRQVTEANSGAAVALSAIQRKQRKVSQMETTVSVTEAKVAFLARGESAPKGNDGKKYDTPDVSKYQYDETSGYYYDHVTGLYYDAHSQYYYNNETGAYLYWDQKRSTYVLATPASTQAALKEVLADAEKKEEEAKKAKEKEKEKEEAGGKPDKVKVAKKIVKDMEKWAKQLNQKKDYTAVATPQPILSDTEAATTSRASQGAYADVGFSILEKKELGKLNDYVPEAGPPAISKLVGAYGGPSDSEDDNSANQKALEASVGTKRAISDESDYVDFQKLTCLLCMRAFQSLDILQKHLKMSNLHKENLDKLKRNPAVEAGTDEGLSYRDRAKERRLKYGESDPPPPNRSRERFEQEIKTLQSRQKDSFGATAAMPISSTNVGSRLMQKMGWSEGQGLGKKNQGRTEIIEADGRSNNVGLGNNTGHMAPGNDYKSYIKKMMKQRYENA
					

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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	43.8	Very low	42.3	Very low	218 Å²	218	131.8 Å²	131.8	100%	1.074	73%	0.729	S	S	*	*				0	77.5	0	-38.5	-40.4	-176.3	0	0	111.9
2	D	45.2	Very low	41.5	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	73%	0.729	S	S	*	*			cis	-156.4	130	-36.9	-90.9	-42.2	0	0	0	107.6
3	S	38.4	Very low	40.9	Very low	77 Å²	77	130.3 Å²	130.3	54%	0.538	74%	0.744	S	S	.	*				83.4	90.4	65.8	-64.5	0	0	0	0	114.9
4	R	46	Very low	40.4	Very low	193 Å²	193	124.9 Å²	124.9	73%	0.728	73%	0.731	S	S	*	*			trans	72.6	154.5	146.8	-39	163.8	-157.8	-175.5	6.6	115.1
5	Y	49.6	Very low	39.9	Very low	184 Å²	184	128.2 Å²	128.2	72%	0.722	74%	0.744	S	S	*	*			cis	-166.1	174.3	38.2	-107.1	-63.3	0	0	0	110.9
6	G	43.7	Very low	39.6	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	74%	0.743	S	S	*	*			trans	110.8	56.3	168.6	0	0	0	0	0	114.3
7	H	41.9	Very low	39.1	Very low	138 Å²	138	123.4 Å²	123.4	64%	0.639	74%	0.743	S	S	*	*				44.4	107.3	95.6	-89.6	-46.6	0	0	0	114.4
8	S	40	Very low	38.8	Very low	88 Å²	88	125.9 Å²	125.9	62%	0.615	75%	0.745	S	S	*	*				78.3	158.2	79.8	-58.9	0	0	0	0	112.4
9	F	40.7	Very low	38.5	Very low	170 Å²	170	124.8 Å²	124.8	75%	0.746	74%	0.744	S	S	*	*			cis	-130.2	144.5	15.9	-80.3	-99.2	0	0	0	109.7
10	S	40.5	Very low	38.1	Very low	102 Å²	102	121.5 Å²	121.5	71%	0.713	74%	0.737	S	S	*	*				81.7	142.3	57.2	-49.5	0	0	0	0	114.7
11	G	35.2	Very low	37.8	Very low	84 Å²	84	125 Å²	125	87%	0.866	74%	0.738	S	S	*	*			trans	100.3	138	180	0	0	0	0	0	112.5
12	G	33.3	Very low	37.2	Very low	70 Å²	70	123.1 Å²	123.1	72%	0.722	72%	0.719	S	S	*	*			cis	158	111.5	-1.9	0	0	0	0	0	108.2
13	N	33.4	Very low	36.7	Very low	174 Å²	174	125.5 Å²	125.5	93%	0.93	72%	0.719	S	S	*	*				72.1	118.9	82.1	-148.3	46.3	0	0	0	113.8
14	G	33.8	Very low	36.5	Very low	54 Å²	54	130.9 Å²	130.9	56%	0.557	73%	0.729	S	S	*	*			trans	124.3	116.4	138.2	0	0	0	0	0	120.1
15	N	33.6	Very low	36	Very low	175 Å²	175	126.2 Å²	126.2	94%	0.936	73%	0.726	S	S	*	*				70.8	157.1	123.2	-56	-8.1	0	0	0	121.6
16	G	34.3	Very low	35.2	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	73%	0.734	S	S	*	*			trans	131	69	-174.1	0	0	0	0	0	110.2
17	S	31.4	Very low	34.6	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	73%	0.734	S	S	*	*				72.8	116.5	75.4	-164.4	0	0	0	0	113
18	E	33.5	Very low	34.2	Very low	168 Å²	168	134.6 Å²	134.6	79%	0.785	75%	0.745	S	S	*	*				-169.6	171.2	111.5	-142.2	64.9	166.7	0	0	112.8
19	S	33.8	Very low	34	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	75%	0.749	S	S	*	*			trans	-52.4	161.3	-177.6	-59.7	0	0	0	0	116.6
20	G	30.4	Very low	33.7	Very low	58 Å²	58	138.6 Å²	138.6	60%	0.598	76%	0.757	S	S	*	*			cis	123.8	137.4	-2.2	0	0	0	0	0	114.6
21	Y	30.5	Very low	33.3	Very low	196 Å²	196	138.7 Å²	138.7	77%	0.769	76%	0.757	S	S	*	*			trans	68.2	147.5	167.1	-49.9	-84.8	0	0	0	117
22	R	32.3	Very low	33.4	Very low	178 Å²	178	145.6 Å²	145.6	67%	0.672	76%	0.757	S	S	*	*			cis	-167.9	137.9	-13.9	-118.2	174	-172.3	165.6	7.8	110.9
23	R	34.1	Very low	33.4	Very low	180 Å²	180	148.2 Å²	148.2	68%	0.679	75%	0.751	S	S	*	*			trans	62.3	161.1	147.2	-63.9	178	179.9	171.6	-1.6	117.5
24	Y	34.2	Very low	33.4	Very low	190 Å²	190	149.8 Å²	149.8	75%	0.745	74%	0.744	S	S	*	*			cis	-160.4	-177.1	-14.6	-110.3	178.7	0	0	0	109.3
25	S	35.4	Very low	33.3	Very low	95 Å²	95	152 Å²	152	66%	0.664	75%	0.751	S	S	*	*				177.8	103.4	-74.1	-79.7	0	0	0	0	112
26	R	32.9	Very low	33.2	Very low	238 Å²	238	154.7 Å²	154.7	90%	0.898	75%	0.748	S	S	*	*			trans	-161.6	129.5	163.9	-97.6	134.2	-172	-164.7	1.5	110.3
27	S	32.3	Very low	33.1	Very low	100 Å²	100	158 Å²	158	70%	0.699	75%	0.749	S	S	*	*				75.1	142.9	64.9	-65.9	0	0	0	0	113.1
28	R	33.3	Very low	33.2	Very low	227 Å²	227	163.3 Å²	163.3	86%	0.857	75%	0.753	S	S	*	*			cis	-169	178	1.5	-102.4	165.5	174	175	-2.8	106.7
29	S	35.9	Very low	33.1	Very low	100 Å²	100	162.2 Å²	162.2	70%	0.699	75%	0.752	S	S	*	*			cis	173.9	166.7	-36.2	-76.1	0	0	0	0	109
30	R	33.7	Very low	32.9	Very low	241 Å²	241	164.5 Å²	164.5	91%	0.909	75%	0.751	S	S	*	*			trans	90.6	157.9	170.3	-58.7	171.4	167.4	161.7	-6.3	117.9
31	S	33.3	Very low	32.7	Very low	104 Å²	104	170.1 Å²	170.1	73%	0.727	76%	0.756	S	S	*	*			cis	-176.7	170.1	-26	-84.4	0	0	0	0	111.3
32	R	36.2	Very low	32.6	Very low	230 Å²	230	171.1 Å²	171.1	87%	0.868	76%	0.758	S	S	*	*			trans	81.3	158.2	164.6	-69.2	-178.7	168.9	157	-2.6	119
33	E	32.8	Very low	32.4	Very low	124 Å²	124	173 Å²	173	58%	0.579	77%	0.765	S	S	*	*			cis	-178.1	160	-33.7	-150.2	175.9	-84.8	0	0	110.1
34	R	34.2	Very low	32.2	Very low	208 Å²	208	175 Å²	175	79%	0.785	77%	0.773	S	S	*	*			trans	73.1	158.5	162.9	-57.5	168.7	-162.4	-165.2	-2.3	119
35	S	30.7	Very low	31.9	Very low	101 Å²	101	173 Å²	173	71%	0.706	78%	0.775	S	S	*	*			cis	-175.6	163.3	-28.5	-86.7	0	0	0	0	111
36	R	32.5	Very low	31.6	Very low	230 Å²	230	173.3 Å²	173.3	87%	0.868	78%	0.777	S	S	*	*			trans	75.6	101.2	157.4	-73.1	169.4	-178.8	162.4	-0.4	121.1
37	D	32.2	Very low	31.3	Very low	139 Å²	139	172.9 Å²	172.9	74%	0.743	78%	0.776	S	S	*	*				47	136.7	111.8	-71.9	-85.9	0	0	0	125.5
38	R	32.6	Very low	31.1	Very low	218 Å²	218	173.5 Å²	173.5	82%	0.823	78%	0.78	S	S	*	*			trans	55.6	111.8	145.2	-66.1	-172.6	-176.2	-144.4	3	120.9
39	N	31.6	Very low	30.8	Very low	145 Å²	145	174.2 Å²	174.2	78%	0.775	78%	0.783	S	S	*	*				178.6	122.2	108.7	-87.1	-20.1	0	0	0	109
40	E	29	Very low	30.5	Very low	153 Å²	153	174.5 Å²	174.5	72%	0.715	79%	0.785	S	S	*	*				73.3	115.4	86.1	-75.6	-142.6	156.9	0	0	116.8
41	Y	26.6	Very low	30.3	Very low	176 Å²	176	169.8 Å²	169.8	69%	0.69	77%	0.767	S	S	*	*			trans	49.4	120.4	146.6	-59.3	-60.2	0	0	0	123.7
42	R	28.8	Very low	30.1	Very low	216 Å²	216	169.5 Å²	169.5	82%	0.815	75%	0.754	S	S	*	*			trans	59.5	109.9	137.1	-58.3	168.6	175.3	164.5	-3.1	118.4
43	R	28.9	Very low	29.8	Very low	218 Å²	218	161.2 Å²	161.2	82%	0.823	72%	0.723	S	S	*	*				165.9	159.8	108.8	-93.1	172.4	178.9	-171.1	0.2	113.4
44	R	28.7	Very low	29.6	Very low	222 Å²	222	161 Å²	161	84%	0.838	74%	0.735	S	S	*	*			trans	61.9	105.4	163.3	-68.3	163.7	-178.8	174.1	-1.3	115.5
45	N	27.4	Very low	29.3	Very low	148 Å²	148	155.3 Å²	155.3	79%	0.791	73%	0.727	S	S	*	*				65.2	92.3	69.5	-174	19.6	0	0	0	114
46	S	29.3	Very low	29.2	Very low	102 Å²	102	157.4 Å²	157.4	71%	0.713	73%	0.725	S	S	*	*			trans	-159.3	119.5	140.7	-87	0	0	0	0	112.2
47	R	26.9	Very low	29.2	Very low	229 Å²	229	158.1 Å²	158.1	86%	0.864	73%	0.73	S	S	*	*			trans	29.7	100.9	139.7	-59.3	169.1	173.1	150.5	-5.6	117.6
48	S	29.1	Very low	29.2	Very low	113 Å²	113	161.2 Å²	161.2	79%	0.79	73%	0.731	S	S	*	*				170.8	129.2	98.1	-75.5	0	0	0	0	115.4
49	R	27	Very low	29.1	Very low	241 Å²	241	159 Å²	159	91%	0.909	74%	0.736	S	S	*	*			trans	6.3	147	148.2	-64.2	171.5	171.1	153.5	-4.2	120.8
50	S	28.9	Very low	29.1	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	74%	0.736	S	S	*	*			trans	95.6	127.1	174	-44.8	0	0	0	0	111.9
51	R	30	Very low	29.2	Very low	142 Å²	142	163.1 Å²	163.1	54%	0.536	75%	0.745	S	S	.	*				50.7	120.3	71	-63.2	-175.9	170.4	-152.5	1.4	108.4	R832 E835	R51-R832 VanDerWaalsContact NH1-CG 3.33Å; R51-E835 IonicContact CZ-OE2 2.77Å; R51-E835 IonicContact NH1-OE2 3.17Å; R51-E835 PolarHBondContact NH1-OE2 2.84Å; R51-E835 IonicContact NH2-OE2 2.61Å; R51-E835 PolarHBondContact NH2-OE2 3.44Å
52	E	29.3	Very low	29.4	Very low	99 Å²	99	158.8 Å²	158.8	46%	0.463	74%	0.74	S	S	.	*			cis	-157.5	146.6	49.5	-76.8	-173	162	0	0	111.5	R836	E52-R836 WeakPolarHBondContact OE1-CD 3.48Å; E52-R836 IonicContact OE1-NE 3.52Å; E52-R836 WeakPolarHBondContact OE2-CD 3.32Å; E52-R836 IonicContact OE2-CZ 3.31Å; E52-R836 IonicContact OE2-NE 3.73Å; E52-R836 IonicContact OE2-NH1 2.7Å; E52-R836 PolarHBondContact OE2-NH1 2.95Å
53	R	29.5	Very low	30	Very low	56 Å²	56	153.8 Å²	153.8	21%	0.211	74%	0.736	C	S	.	*				78.9	81.7	62.9	-155.7	-163.9	-148.4	-141.4	11.1	114.5	Y829 R830 D831 R832 A833	R53-Y829 PolarHBondContact NH2-OH 2.86Å; R53-R830 PolarHBondContact NH2-O 3.18Å; R53-D831 IonicContact NH1-OD1 2.62Å; R53-R832 VanDerWaalsContact NE-CB 3.35Å; R53-A833 VanDerWaalsContact NH1-N 3.13Å
54	S	28.2	Very low	30.5	Very low	119 Å²	119	149 Å²	149	83%	0.832	73%	0.726	S	S	*	*			trans	44.5	97	142	-46.7	0	0	0	0	117.3
55	S	28.4	Very low	31.3	Very low	89 Å²	89	147.3 Å²	147.3	62%	0.622	72%	0.72	S	S	*	*			trans	-138.6	153	160.1	64.3	0	0	0	0	110.9
56	H	29.1	Very low	32.5	Very low	145 Å²	145	142.3 Å²	142.3	67%	0.671	69%	0.693	S	S	*	*			trans	59.8	98.6	170.1	-34.8	-56.9	0	0	0	117.2
57	Y	32.1	Very low	33.7	Very low	244 Å²	244	142 Å²	142	96%	0.957	68%	0.683	S	S	*	*				-109.9	114.5	124.4	-82.2	-80.5	0	0	0	107.4
58	R	32.8	Very low	35	Very low	205 Å²	205	135 Å²	135	77%	0.774	66%	0.657	S	S	*	*			trans	-81.2	173.1	169.6	-78	179.1	165.9	173.3	-4	108.8	D60	R58-D60 PolarHBondContact O-N 3.2Å
59	N	30.3	Very low	36.1	Very low	172 Å²	172	137 Å²	137	92%	0.92	65%	0.648	S	S	*	*			trans	-63.1	85.8	156.4	-73.4	-16.5	0	0	0	109.3
60	D	31.5	Very low	37.6	Very low	147 Å²	147	128 Å²	128	79%	0.786	62%	0.618	S	S	*	*			trans	-91.5	148.2	159.7	-100.7	-63.1	0	0	0	110	R58 S62	R58-D60 PolarHBondContact O-N 3.2Å; D60-S62 PolarHBondContact O-N 3.36Å
61	R	30.1	Very low	39	Very low	237 Å²	237	126 Å²	126	89%	0.894	60%	0.598	S	S	*	*			trans	-80.4	115.7	-160.8	-63.8	169.7	176.6	171.6	-3.6	111.1
62	S	32.3	Very low	40.2	Very low	84 Å²	84	121.2 Å²	121.2	59%	0.587	58%	0.583	S	S	*	*			trans	-65.7	138	157.7	-166.5	0	0	0	0	109.4	D60 D64	D60-S62 PolarHBondContact O-N 3.36Å; S62-D64 VanDerWaalsContact C-N 3.26Å; S62-D64 PolarHBondContact O-N 2.87Å
63	P	40.1	Very low	41.5	Very low	112 Å²	112	119 Å²	119	73%	0.727	57%	0.574	S	S	*	*	S	Bend	trans	-64.9	-29.8	173.2	-21.5	34.2	0	0	0	113.2	R65	P63-R65 VanDerWaalsContact C-N 3.29Å; P63-R65 PolarHBondContact O-N 3.26Å
64	D	40.5	Very low	42.7	Very low	117 Å²	117	122.5 Å²	122.5	63%	0.626	59%	0.593	S	S	*	*			trans	-75.9	72.6	-174	-58.9	-59.6	0	0	0	112.8	S62 D66	S62-D64 VanDerWaalsContact C-N 3.26Å; S62-D64 PolarHBondContact O-N 2.87Å; D64-D66 VanDerWaalsContact C-N 3.32Å; D64-D66 PolarHBondContact O-N 3.34Å
65	R	44.4	Very low	43.8	Very low	186 Å²	186	118.1 Å²	118.1	70%	0.702	56%	0.56	S	S	*	*			trans	-79	83.2	169.3	-168.8	178.7	-178.9	-178.8	-0.6	110.3	P63 L67 D70	P63-R65 VanDerWaalsContact C-N 3.29Å; P63-R65 PolarHBondContact O-N 3.26Å; R65-L67 PolarHBondContact O-N 3.41Å; R65-D70 IonicContact CZ-OD2 2.69Å; R65-D70 IonicContact NE-OD2 3.11Å; R65-D70 PolarHBondContact NE-OD2 3.45Å; R65-D70 IonicContact NH2-OD2 2.67Å; R65-D70 PolarHBondContact NH2-OD2 3.16Å
66	D	53	Low	44.8	Very low	43 Å²	43	120.7 Å²	120.7	23%	0.23	56%	0.557	C	S	.	*			trans	-54.5	97.7	172.9	177.8	-2.4	0	0	0	111.8	D64 Y68 R69 D70	D64-D66 VanDerWaalsContact C-N 3.32Å; D64-D66 PolarHBondContact O-N 3.34Å; D66-Y68 PolarHBondContact O-N 2.79Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.3Å; D66-Y68 PolarHBondContact OD1-N 3.09Å; D66-R69 HydrophobicContact CB-CB 3.98Å; D66-R69 VanDerWaalsContact CG-CB 3.48Å; D66-R69 WeakPolarHBondContact O-CB 3.49Å; D66-R69 PolarHBondContact O-N 2.87Å; D66-R69 VanDerWaalsContact O-N 3.16Å; D66-R69 PolarHBondContact OD1-N 3.35Å; D66-R69 WeakPolarHBondContact OD2-CB 3.27Å; D66-D70 PolarHBondContact O-N 3.49Å
67	L	54.5	Low	45.8	Very low	97 Å²	97	120.8 Å²	120.8	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-61.9	-30.7	-179.9	-66.1	174.4	0	0	0	112.5	R65 R69 L71	R65-L67 PolarHBondContact O-N 3.41Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.26Å
68	Y	53.8	Low	46.4	Very low	81 Å²	81	112.4 Å²	112.4	32%	0.318	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-33.8	178.1	171.1	-106.2	0	0	0	111.3	D66 I72 F257 F259	D66-Y68 PolarHBondContact O-N 2.79Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.3Å; D66-Y68 PolarHBondContact OD1-N 3.09Å; Y68-I72 HydrophobicContact CD1-CD1 4.17Å; Y68-I72 HydrophobicContact CD2-CD1 4.06Å; Y68-I72 HydrophobicContact CE1-CD1 3.69Å; Y68-I72 HydrophobicContact CE2-CD1 3.55Å; Y68-I72 HydrophobicContact CE2-CG1 4.48Å; Y68-I72 HydrophobicContact CG-CD1 4.35Å; Y68-I72 WeakPolarHBondContact O-CG1 3.16Å; Y68-I72 PolarHBondContact O-N 3.08Å; Y68-F257 HydrophobicContact CD2-CE2 4.19Å; Y68-F257 HydrophobicContact CD2-CZ 4.27Å; Y68-F257 AromaticContact CE2-CE2 3.97Å; Y68-F257 HydrophobicContact CE2-CE2 3.97Å; Y68-F257 HydrophobicContact CE2-CZ 4.16Å; Y68-F259 HydrophobicContact CD2-CZ 4.46Å; Y68-F259 AromaticContact CE2-CZ 3.74Å; Y68-F259 HydrophobicContact CE2-CZ 3.74Å
69	R	53	Low	47.1	Very low	155 Å²	155	109 Å²	109	59%	0.585	52%	0.523	S	S	*	.	H	α-helix	trans	-70.1	-42.8	173.3	-176.8	173.3	-175.9	-177.4	-3.2	113	D66 L67 I72 N73	D66-R69 HydrophobicContact CB-CB 3.98Å; D66-R69 VanDerWaalsContact CG-CB 3.48Å; D66-R69 WeakPolarHBondContact O-CB 3.49Å; D66-R69 PolarHBondContact O-N 2.87Å; D66-R69 VanDerWaalsContact O-N 3.16Å; D66-R69 PolarHBondContact OD1-N 3.35Å; D66-R69 WeakPolarHBondContact OD2-CB 3.27Å; L67-R69 VanDerWaalsContact C-N 3.34Å; R69-I72 PolarHBondContact O-N 2.81Å; R69-N73 PolarHBondContact O-N 3.11Å; R69-N73 PolarHBondContact O-ND2 3.34Å
70	D	57.6	Low	47.7	Very low	53 Å²	53	104 Å²	104	28%	0.283	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-49	175.2	-78.6	2.8	0	0	0	110.5	R65 D66 I72 N73 E74	R65-D70 IonicContact CZ-OD2 2.69Å; R65-D70 IonicContact NE-OD2 3.11Å; R65-D70 PolarHBondContact NE-OD2 3.45Å; R65-D70 IonicContact NH2-OD2 2.67Å; R65-D70 PolarHBondContact NH2-OD2 3.16Å; D66-D70 PolarHBondContact O-N 3.49Å; D70-I72 PolarHBondContact O-N 3.25Å; D70-I72 VanDerWaalsContact O-N 3.09Å; D70-N73 PolarHBondContact O-N 3.3Å; D70-N73 VanDerWaalsContact O-N 3.13Å; D70-E74 PolarHBondContact O-N 3Å
71	L	58	Low	48.1	Very low	63 Å²	63	102 Å²	102	33%	0.33	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-9.5	177	-72.4	171.4	0	0	0	115.4	L67 F218 R255 F257	L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 3.26Å; L71-F218 HydrophobicContact CD1-CD1 4.34Å; L71-F218 HydrophobicContact CD1-CE1 4.33Å; L71-R255 PolarHBondContact O-NH2 3.32Å; L71-F257 HydrophobicContact CD1-CD1 4.39Å
72	I	55.7	Low	48.4	Very low	41 Å²	41	99.3 Å²	99.3	21%	0.21	49%	0.492	C	S	.	.	H	α-helix	trans	-99.7	-37.6	171.6	-76.4	175	0	0	0	111.1	Y68 R69 D70 E74 D75 Y76	Y68-I72 HydrophobicContact CD1-CD1 4.17Å; Y68-I72 HydrophobicContact CD2-CD1 4.06Å; Y68-I72 HydrophobicContact CE1-CD1 3.69Å; Y68-I72 HydrophobicContact CE2-CD1 3.55Å; Y68-I72 HydrophobicContact CE2-CG1 4.48Å; Y68-I72 HydrophobicContact CG-CD1 4.35Å; Y68-I72 WeakPolarHBondContact O-CG1 3.16Å; Y68-I72 PolarHBondContact O-N 3.08Å; R69-I72 PolarHBondContact O-N 2.81Å; D70-I72 PolarHBondContact O-N 3.25Å; D70-I72 VanDerWaalsContact O-N 3.09Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.15Å; I72-D75 PolarHBondContact O-N 3.44Å; I72-Y76 HydrophobicContact CG2-CD2 4.32Å; I72-Y76 HydrophobicContact CG2-CE2 4.12Å; I72-Y76 WeakPolarHBondContact O-CD2 3.34Å
73	N	56.5	Low	48.6	Very low	53 Å²	53	103 Å²	103	28%	0.283	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-37.1	179.2	-68.7	-21.2	0	0	0	112	R69 D70 D75 Y76 E77	R69-N73 PolarHBondContact O-N 3.11Å; R69-N73 PolarHBondContact O-ND2 3.34Å; D70-N73 PolarHBondContact O-N 3.3Å; D70-N73 VanDerWaalsContact O-N 3.13Å; N73-D75 PolarHBondContact O-N 2.96Å; N73-Y76 WeakPolarHBondContact O-CA 3.25Å; N73-Y76 PolarHBondContact O-N 3.5Å; N73-E77 PolarHBondContact O-N 2.9Å
74	E	55.7	Low	48.5	Very low	129 Å²	129	102.4 Å²	102.4	60%	0.603	50%	0.504	S	S	*	.	H	α-helix	trans	-53.4	-39.6	176.8	-72.4	-176.2	156.4	0	0	112.6	D70 I72 Y76 E77 D78	D70-E74 PolarHBondContact O-N 3Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.15Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-Y76 PolarHBondContact O-N 2.67Å; E74-E77 PolarHBondContact O-N 2.92Å; E74-D78 VanDerWaalsContact O-CB 3.22Å; E74-D78 WeakPolarHBondContact O-CB 3.26Å; E74-D78 PolarHBondContact O-N 3.42Å
75	D	50.1	Low	48.3	Very low	27 Å²	27	108.2 Å²	108.2	14%	0.144	52%	0.517	C	S	.	.	H	α-helix	trans	-71.6	-20.4	177.1	-98	-27.1	0	0	0	114	I72 N73 Q79 K248 R255	I72-D75 PolarHBondContact O-N 3.44Å; N73-D75 PolarHBondContact O-N 2.96Å; D75-Q79 WeakPolarHBondContact O-CG 3.47Å; D75-Q79 PolarHBondContact O-NE2 3.29Å; D75-K248 VanDerWaalsContact OD1-CE 3.23Å; D75-K248 WeakPolarHBondContact OD1-CE 3.48Å; D75-K248 IonicContact OD1-NZ 3.04Å; D75-K248 PolarHBondContact OD1-NZ 3.46Å; D75-R255 IonicContact OD2-CZ 3.7Å; D75-R255 IonicContact OD2-NH1 3.22Å; D75-R255 PolarHBondContact OD2-NH1 3.25Å; D75-R255 IonicContact OD2-NH2 3.79Å; D75-R255 PolarHBondContact OD2-NH2 3.41Å
76	Y	50.8	Low	48.1	Very low	144 Å²	144	107.3 Å²	107.3	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-85.2	-31.3	172.8	-80.5	-90.6	0	0	0	111.8	I72 N73 E74	I72-Y76 HydrophobicContact CG2-CD2 4.32Å; I72-Y76 HydrophobicContact CG2-CE2 4.12Å; I72-Y76 WeakPolarHBondContact O-CD2 3.34Å; N73-Y76 WeakPolarHBondContact O-CA 3.25Å; N73-Y76 PolarHBondContact O-N 3.5Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-Y76 PolarHBondContact O-N 2.67Å
77	E	49.3	Very low	47.1	Very low	147 Å²	147	111.7 Å²	111.7	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-79.2	-39.9	177	-66.6	-175.8	-177.1	0	0	112.1	N73 E74 Q79 G80	N73-E77 PolarHBondContact O-N 2.9Å; E74-E77 PolarHBondContact O-N 2.92Å; E77-Q79 VanDerWaalsContact C-N 3.31Å; E77-Q79 PolarHBondContact O-N 3.44Å; E77-G80 PolarHBondContact O-N 3.18Å
78	D	45.4	Very low	46.3	Very low	67 Å²	67	113.1 Å²	113.1	36%	0.358	55%	0.551	S	S	.	*	H	α-helix	trans	-60.9	-37.6	176.2	-171.5	44.2	0	0	0	111.9	E74 G80 N81 Y82 K248	E74-D78 VanDerWaalsContact O-CB 3.22Å; E74-D78 WeakPolarHBondContact O-CB 3.26Å; E74-D78 PolarHBondContact O-N 3.42Å; D78-G80 PolarHBondContact O-N 2.89Å; D78-N81 PolarHBondContact O-N 3.06Å; D78-N81 VanDerWaalsContact O-N 3.16Å; D78-Y82 WeakPolarHBondContact O-CD2 3.29Å; D78-K248 IonicContact OD2-NZ 2.84Å; D78-K248 PolarHBondContact OD2-NZ 3.35Å
79	Q	46.4	Very low	45.4	Very low	134 Å²	134	115 Å²	115	63%	0.626	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-20.4	173.2	-79.4	178.7	81.2	0	0	114	D75 E77	D75-Q79 WeakPolarHBondContact O-CG 3.47Å; D75-Q79 PolarHBondContact O-NE2 3.29Å; E77-Q79 VanDerWaalsContact C-N 3.31Å; E77-Q79 PolarHBondContact O-N 3.44Å
80	G	44.1	Very low	44.5	Very low	68 Å²	68	114.4 Å²	114.4	70%	0.701	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-16.4	174.8	0	0	0	0	0	114.5	E77 D78	E77-G80 PolarHBondContact O-N 3.18Å; D78-G80 PolarHBondContact O-N 2.89Å
81	N	38.5	Very low	43.2	Very low	103 Å²	103	123.1 Å²	123.1	55%	0.551	60%	0.6	S	S	*	*			trans	-101.4	-3.4	-160.4	-152.9	9.6	0	0	0	115	D78 N83	D78-N81 PolarHBondContact O-N 3.06Å; D78-N81 VanDerWaalsContact O-N 3.16Å; N81-N83 VanDerWaalsContact C-N 3.27Å; N81-N83 PolarHBondContact O-N 3.09Å
82	Y	36.9	Very low	42	Very low	182 Å²	182	129.5 Å²	129.5	71%	0.714	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.5	-172.6	-96.6	-96.1	0	0	0	115.7	D78	D78-Y82 WeakPolarHBondContact O-CD2 3.29Å
83	N	35.8	Very low	40.8	Very low	161 Å²	161	130.6 Å²	130.6	86%	0.861	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	6.7	-174.5	-75.7	-16.5	0	0	0	115.2	N81	N81-N83 VanDerWaalsContact C-N 3.27Å; N81-N83 PolarHBondContact O-N 3.09Å
84	S	38.1	Very low	39.6	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	68%	0.675	S	S	*	*	S	Bend	trans	-112	20.4	-173.1	-160.4	0	0	0	0	115.2
85	R	37.3	Very low	38.4	Very low	239 Å²	239	136 Å²	136	90%	0.902	68%	0.676	S	S	*	*	S	Bend	trans	-120.5	11.9	-179.6	-83.4	-174.4	171.1	172.5	-1	115.1
86	Q	39.2	Very low	37.7	Very low	168 Å²	168	141.5 Å²	141.5	79%	0.785	70%	0.699	S	S	*	*	S	Bend	trans	-130.9	143.7	174.4	-65	-179.2	-1.4	0	0	109.3
87	N	32.8	Very low	36.7	Very low	135 Å²	135	143.9 Å²	143.9	72%	0.722	71%	0.708	S	S	*	*			trans	75.2	73.7	-173.2	-47.6	-71.7	0	0	0	115.7
88	L	37.1	Very low	36	Very low	126 Å²	126	142 Å²	142	66%	0.66	70%	0.703	S	S	*	*	S	Bend	trans	-139.7	109.3	131.7	-169.6	65.2	0	0	0	109.2
89	D	36.1	Very low	35.4	Very low	122 Å²	122	149.4 Å²	149.4	65%	0.652	73%	0.726	S	S	*	*			trans	48.6	103.1	164.8	-52.3	-32.2	0	0	0	117.2
90	Q	32.5	Very low	34.7	Very low	141 Å²	141	153.8 Å²	153.8	66%	0.659	74%	0.736	S	S	*	*				46.4	72.7	55.4	-74.3	91.5	-6.7	0	0	115
91	R	31.8	Very low	34.3	Very low	237 Å²	237	159.3 Å²	159.3	89%	0.894	74%	0.744	S	S	*	*			trans	-172.2	91.8	143.8	-103.3	158.9	-161.6	-102.2	4.5	112.4
92	H	32.7	Very low	34.1	Very low	197 Å²	197	157.9 Å²	157.9	91%	0.912	75%	0.747	S	S	*	*			trans	168.8	106.7	133.9	-99.9	-75	0	0	0	108.2
93	G	30	Very low	34.1	Very low	63 Å²	63	156.5 Å²	156.5	65%	0.649	75%	0.751	S	S	*	*			trans	-95	180	162.9	0	0	0	0	0	110.4
94	E	31.1	Very low	34.1	Very low	178 Å²	178	153 Å²	153	83%	0.832	74%	0.74	S	S	*	*			trans	71.3	114.1	167.6	-56.9	177.4	179.7	0	0	116.2
95	D	32	Very low	34.1	Very low	118 Å²	118	157.5 Å²	157.5	63%	0.631	75%	0.75	S	S	*	*				70.1	144.2	130	-64	0.8	0	0	0	120.9
96	K	34	Very low	34.1	Very low	143 Å²	143	149.5 Å²	149.5	62%	0.622	74%	0.742	S	S	*	*			cis	-162.9	150.5	-5	-113.3	165.7	-175.4	137.3	0	110.2
97	Y	30.8	Very low	33.9	Very low	193 Å²	193	151.9 Å²	151.9	76%	0.757	74%	0.744	S	S	*	*			trans	45.1	136.1	151.5	-56.4	-55.4	0	0	0	123.9
98	D	33.2	Very low	34.1	Very low	109 Å²	109	154.4 Å²	154.4	58%	0.583	74%	0.743	S	S	*	*			trans	57	110.5	130.3	-76.2	26.1	0	0	0	122.8
99	R	34.4	Very low	34.1	Very low	221 Å²	221	154.5 Å²	154.5	83%	0.834	74%	0.744	S	S	*	*				156.8	159.3	93.2	-98.3	150.5	-149.2	-172.3	12.2	114.6
100	R	30.3	Very low	34.2	Very low	226 Å²	226	157.1 Å²	157.1	85%	0.853	75%	0.752	S	S	*	*			trans	-105.6	177	162.9	-66	179.5	177.3	173.6	-1.1	109.4
101	H	35.6	Very low	34.6	Very low	184 Å²	184	156.5 Å²	156.5	85%	0.852	75%	0.754	S	S	*	*			trans	81.8	142.7	-179.1	-62.5	-86.1	0	0	0	114.9
102	A	35.8	Very low	34.9	Very low	74 Å²	74	149.4 Å²	149.4	61%	0.612	74%	0.74	S	S	*	*			cis	-155.2	156	-3.5	0	0	0	0	0	113.5
103	D	35.4	Very low	35.2	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	73%	0.73	S	S	*	*			trans	33.7	136.1	141.9	-48.2	-38.2	0	0	0	122.9
104	S	36.4	Very low	35.6	Very low	88 Å²	88	152.7 Å²	152.7	62%	0.615	74%	0.736	S	S	*	*				140.6	123.6	109.7	-164.7	0	0	0	0	115.8
105	Q	38.7	Very low	36.1	Very low	193 Å²	193	149 Å²	149	90%	0.902	72%	0.722	S	S	*	*			trans	54.9	142.8	149.5	-59.8	164.6	33.2	0	0	120.3
106	G	35.7	Very low	36.5	Very low	72 Å²	72	151.8 Å²	151.8	74%	0.742	73%	0.729	S	S	*	*			cis	163.3	157.4	-10.3	0	0	0	0	0	113.9
107	R	36.7	Very low	36.6	Very low	217 Å²	217	149.9 Å²	149.9	82%	0.819	73%	0.733	S	S	*	*			trans	76.7	123.4	162	-67.6	-169.6	-168.2	-108.2	7	122.6
108	R	36.5	Very low	37	Very low	188 Å²	188	143.6 Å²	143.6	71%	0.709	73%	0.727	S	S	*	*				92.4	114.3	127.8	-74.6	-168.7	160.5	157.4	-3.1	125
109	D	36.5	Very low	37.3	Very low	129 Å²	129	146.4 Å²	146.4	69%	0.69	74%	0.737	S	S	*	*				78.1	121.3	116.7	-48.8	-11.5	0	0	0	125
110	H	39.3	Very low	37.4	Very low	177 Å²	177	140.9 Å²	140.9	82%	0.819	72%	0.724	S	S	*	*			trans	78.5	106.9	140.9	-110.9	-13.1	0	0	0	125.3
111	D	38.9	Very low	37.8	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	72%	0.717	S	S	*	*				50.9	116.7	125.8	-83.5	-74.1	0	0	0	126.9
112	S	39.5	Very low	37.8	Very low	87 Å²	87	133.5 Å²	133.5	61%	0.608	71%	0.705	S	S	*	*				97.4	145.2	114.9	82.1	0	0	0	0	122.8
113	N	37.9	Very low	37.8	Very low	131 Å²	131	136.7 Å²	136.7	70%	0.701	71%	0.705	S	S	*	*			trans	92.7	119.6	136.6	-79.9	-33.5	0	0	0	123.7
114	Y	38.9	Very low	37.7	Very low	199 Å²	199	134.5 Å²	134.5	78%	0.78	69%	0.693	S	S	*	*				86.4	109.9	129.5	-92.3	-58.3	0	0	0	123.8
115	D	41.4	Very low	37.5	Very low	101 Å²	101	139.3 Å²	139.3	54%	0.54	70%	0.698	S	S	.	*				108.3	142.1	111.7	-136.3	-1.4	0	0	0	121.1
116	K	41.2	Very low	37.3	Very low	176 Å²	176	136.9 Å²	136.9	77%	0.765	69%	0.691	S	S	*	*			trans	56.5	159.5	154.8	-83.6	152.6	-163.6	146.9	0	119.1
117	S	36	Very low	37.4	Very low	103 Å²	103	141 Å²	141	72%	0.72	69%	0.69	S	S	*	*			cis	-155.3	150.8	-17.1	-172.3	0	0	0	0	104.7
118	G	38.6	Very low	37	Very low	61 Å²	61	140.4 Å²	140.4	63%	0.629	69%	0.688	S	S	*	*			cis	135.3	174.4	14.1	0	0	0	0	0	108.3
119	Q	40.3	Very low	36.6	Very low	167 Å²	167	141 Å²	141	78%	0.78	69%	0.69	S	S	*	*			trans	69.3	144.6	164.4	-58.2	-156.8	-88.7	0	0	117.8
120	D	36.3	Very low	36.4	Very low	106 Å²	106	142.1 Å²	142.1	57%	0.567	69%	0.689	S	S	*	*			cis	-166.7	162.7	-21	-123.3	-37.8	0	0	0	111.4
121	M	38.2	Very low	35.9	Very low	142 Å²	142	139.8 Å²	139.8	70%	0.7	68%	0.683	S	S	*	*			trans	62.9	159.8	150.1	-59.5	-88.9	167.9	0	0	119.9
122	D	36.7	Very low	35.8	Very low	112 Å²	112	143.3 Å²	143.3	60%	0.599	69%	0.688	S	S	*	*			cis	-168.8	-179.9	-40.5	-154.6	-7.8	0	0	0	109
123	K	34.8	Very low	35.5	Very low	142 Å²	142	144.4 Å²	144.4	62%	0.617	69%	0.687	S	S	*	*			trans	68.1	113	146.7	-76.5	171.2	-170.9	75.5	0	121.1
124	D	33.6	Very low	35.1	Very low	105 Å²	105	148.2 Å²	148.2	56%	0.561	69%	0.692	S	S	*	*				84.3	138.2	114.8	-76	20.8	0	0	0	123.7
125	R	31.7	Very low	34.7	Very low	189 Å²	189	144.8 Å²	144.8	71%	0.713	69%	0.691	S	S	*	*			trans	73.5	126.9	150.7	-67.1	155	-140.6	-154.4	5	116.4
126	D	33.9	Very low	34.1	Very low	143 Å²	143	145.4 Å²	145.4	77%	0.765	70%	0.704	S	S	*	*				72	156.8	55.8	-80	-54.9	0	0	0	114.2
127	H	37.8	Very low	33.4	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.727	70%	0.703	S	S	*	*			trans	80.3	100.5	-174.8	-42	-49.1	0	0	0	112.7
128	R	29.4	Very low	33	Very low	205 Å²	205	146.7 Å²	146.7	77%	0.774	69%	0.692	S	S	*	*				72	119.9	53.4	-171	-169.3	-109.6	-166.5	-3.4	112.9
129	W	27.3	Very low	32.5	Very low	200 Å²	200	153.4 Å²	153.4	76%	0.758	70%	0.699	S	S	*	*			trans	81.6	155.1	154	-81.6	-4.8	0	0	0	121.1
130	K	32	Very low	31.9	Very low	153 Å²	153	152 Å²	152	67%	0.665	70%	0.696	S	S	*	*			trans	78	118.6	167.7	-68	145.7	-175.1	-176.4	0	113.4
131	N	30.7	Very low	31.5	Very low	129 Å²	129	154 Å²	154	69%	0.69	70%	0.702	S	S	*	*				64.6	130.2	72.2	-55.3	7.5	0	0	0	109
132	Y	36.2	Very low	31.1	Very low	201 Å²	201	153.4 Å²	153.4	79%	0.788	70%	0.702	S	S	*	*			cis	-134.9	142.9	36	-71.9	-96.4	0	0	0	110.2
133	D	32.1	Very low	30.9	Very low	110 Å²	110	153.6 Å²	153.6	59%	0.588	70%	0.703	S	S	*	*				83.6	136.2	51.4	-168.4	30.9	0	0	0	113.5
134	R	29.4	Very low	30.8	Very low	211 Å²	211	155 Å²	155	80%	0.796	71%	0.709	S	S	*	*			trans	67.2	124	-179.5	-63.8	154.7	-155.5	-141.2	-5.2	116.9
135	V	30.9	Very low	31	Very low	128 Å²	128	157.1 Å²	157.1	78%	0.776	72%	0.72	S	S	*	*			cis	79.2	92.8	40.7	-176.2	0	0	0	0	113.9
136	S	28.3	Very low	31	Very low	114 Å²	114	159.9 Å²	159.9	80%	0.797	73%	0.731	S	S	*	*				-169.4	133.6	127.1	-78.6	0	0	0	0	107.6
137	R	27.1	Very low	30.9	Very low	201 Å²	201	156.2 Å²	156.2	76%	0.758	73%	0.727	S	S	*	*			cis	100.2	118.7	34.5	178.1	178.6	175.3	150.7	5.5	111
138	E	28.3	Very low	30.7	Very low	105 Å²	105	154.2 Å²	154.2	49%	0.491	73%	0.731	S	S	.	*			trans	68.4	146.9	167.1	-75.2	174.2	-135.5	0	0	118.9
139	R	27.6	Very low	30.9	Very low	202 Å²	202	150.1 Å²	150.1	76%	0.762	72%	0.72	S	S	*	*			trans	66.6	148.8	162.8	-63.4	149.9	-148.4	-126.1	4.5	114.7
140	N	27	Very low	31.1	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	72%	0.721	S	S	*	*			cis	167.5	151.4	-18.3	-99.8	3.9	0	0	0	101.7
141	H	29.4	Very low	31.1	Very low	150 Å²	150	147.4 Å²	147.4	69%	0.694	72%	0.72	S	S	*	*			trans	51.1	113.9	154.1	-85.8	-60.7	0	0	0	119.9
142	D	29.7	Very low	31.3	Very low	129 Å²	129	145.5 Å²	145.5	69%	0.69	72%	0.717	S	S	*	*			trans	69.8	164.7	137.8	-34.3	-27.9	0	0	0	115.9
143	D	32.7	Very low	31.1	Very low	116 Å²	116	146.4 Å²	146.4	62%	0.62	72%	0.718	S	S	*	*			cis	-158.3	178	-1.2	-145.2	-25.2	0	0	0	111.6
144	F	32.6	Very low	31.1	Very low	172 Å²	172	146.1 Å²	146.1	75%	0.754	73%	0.725	S	S	*	*			trans	63.6	117.5	156.3	-59.9	-54.2	0	0	0	123.9
145	D	37.4	Very low	31.2	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	72%	0.718	S	S	*	*			trans	-14.3	130.5	137.3	-72.7	-73.7	0	0	0	120
146	R	32.1	Very low	31.3	Very low	247 Å²	247	140.9 Å²	140.9	93%	0.932	71%	0.709	S	S	*	*				176.3	137.5	127.3	-95.1	153.3	174.4	163.2	-1.1	108.4
147	G	31.7	Very low	31.7	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	70%	0.698	S	S	*	*			cis	110.6	135.1	7.1	0	0	0	0	0	111.2
148	S	31.9	Very low	31.9	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	70%	0.695	S	S	*	*			trans	70	143.2	171	-90.6	0	0	0	0	115.9
149	E	34.4	Very low	32.2	Very low	118 Å²	118	141.3 Å²	141.3	55%	0.551	70%	0.699	S	S	*	*			cis	-150.9	170.8	-1.3	-59	-157.3	121.9	0	0	112.5
150	R	32.1	Very low	32.4	Very low	205 Å²	205	139.8 Å²	139.8	77%	0.774	70%	0.698	S	S	*	*			trans	45.2	153.6	130.3	-71.6	169.3	-162.8	158	0.6	120.9
151	S	32.5	Very low	32.6	Very low	91 Å²	91	139 Å²	139	64%	0.636	69%	0.694	S	S	*	*			cis	-178	173.8	-10.2	171.3	0	0	0	0	107.4
152	S	34.4	Very low	32.8	Very low	90 Å²	90	138.5 Å²	138.5	63%	0.629	70%	0.696	S	S	*	*			trans	78	143.8	152.4	-55.3	0	0	0	0	117.1
153	R	31.7	Very low	32.8	Very low	219 Å²	219	139.7 Å²	139.7	83%	0.826	70%	0.702	S	S	*	*			cis	-172.3	147.9	-21.3	-119.8	165.5	-175.3	168.5	1	106.9
154	S	31.9	Very low	32.6	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	71%	0.706	S	S	*	*			trans	64.6	169.7	154.2	-66	0	0	0	0	115.5
155	N	31.3	Very low	32.6	Very low	123 Å²	123	136.5 Å²	136.5	66%	0.658	71%	0.709	S	S	*	*			cis	-144.2	173.8	-1.9	-141.1	34.5	0	0	0	111.1
156	D	33.5	Very low	32.2	Very low	106 Å²	106	133.7 Å²	133.7	57%	0.567	70%	0.701	S	S	*	*			trans	17.5	138.5	134.7	-66.8	7.7	0	0	0	119
157	Q	36.5	Very low	32.1	Very low	123 Å²	123	129 Å²	129	58%	0.575	69%	0.694	S	S	*	*			cis	-156.5	149.2	35.7	-128.2	25.5	-53.8	0	0	106.6
158	R	32.3	Very low	32	Very low	187 Å²	187	130.1 Å²	130.1	71%	0.706	69%	0.692	S	S	*	*				41.6	139.6	86.1	-62.7	-173.8	-162.1	-162.9	1.1	113.2
159	Q	32.7	Very low	31.9	Very low	120 Å²	120	130 Å²	130	56%	0.561	69%	0.691	S	S	*	*			cis	-174.5	160.2	14.1	-125.5	162.9	-16.9	0	0	109.3
160	F	33.6	Very low	31.5	Very low	170 Å²	170	129.3 Å²	129.3	75%	0.746	70%	0.699	S	S	*	*			trans	62.8	164	151.7	-62.1	-40.5	0	0	0	119
161	N	31.1	Very low	31.3	Very low	120 Å²	120	123.5 Å²	123.5	64%	0.642	69%	0.69	S	S	*	*			cis	-164.6	170.1	-46.3	-144.8	9.6	0	0	0	108.1
162	N	31.7	Very low	31.1	Very low	139 Å²	139	127.6 Å²	127.6	74%	0.743	69%	0.693	S	S	*	*			trans	67.1	162.2	155.8	-63	-14.6	0	0	0	119.3
163	N	30.3	Very low	30.9	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	70%	0.699	S	S	*	*			cis	-167.4	133.3	-37.5	-173.9	18.6	0	0	0	109.9
164	G	29.6	Very low	30.7	Very low	68 Å²	68	127.6 Å²	127.6	70%	0.701	69%	0.687	S	S	*	*			trans	68.5	-179.3	161.2	0	0	0	0	0	117.6
165	N	31.1	Very low	30.5	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	69%	0.686	S	S	*	*			cis	-162.7	161.3	-25.4	-170.4	20.6	0	0	0	109.7
166	S	30.6	Very low	30.4	Very low	89 Å²	89	132 Å²	132	62%	0.622	69%	0.685	S	S	*	*			trans	71.9	165.1	164.2	-38.3	0	0	0	0	117.6
167	N	30.1	Very low	30.4	Very low	147 Å²	147	133.3 Å²	133.3	79%	0.786	69%	0.685	S	S	*	*			cis	-178	159	-49.9	-149.8	-6.7	0	0	0	106.3
168	S	29.4	Very low	30	Very low	90 Å²	90	134.5 Å²	134.5	63%	0.629	69%	0.691	S	S	*	*			trans	62.6	101.2	149	-56.9	0	0	0	0	121.4
169	S	28	Very low	30	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	69%	0.691	S	S	*	*				85.4	157.3	113.9	-157.8	0	0	0	0	119.7
170	S	27.7	Very low	30	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	69%	0.691	S	S	*	*			trans	61.6	126.9	159.9	-134.8	0	0	0	0	116.3
171	S	28	Very low	29.9	Very low	83 Å²	83	134.7 Å²	134.7	58%	0.58	69%	0.689	S	S	*	*			cis	169.2	-165.6	4	171.8	0	0	0	0	103.5
172	Y	28.3	Very low	29.9	Very low	177 Å²	177	132.4 Å²	132.4	69%	0.694	68%	0.677	S	S	*	*			trans	76.1	138.1	157.5	-61.8	-67.5	0	0	0	118.8
173	R	29.6	Very low	30.1	Very low	200 Å²	200	137.1 Å²	137.1	76%	0.755	68%	0.684	S	S	*	*			trans	78.1	113.1	152.7	-73.4	149.8	-165	174.2	5	113.6
174	D	28.3	Very low	30.3	Very low	109 Å²	109	138.7 Å²	138.7	58%	0.583	68%	0.679	S	S	*	*				60	130.2	72.2	-65.6	-68.2	0	0	0	108.5
175	R	27.3	Very low	30.2	Very low	185 Å²	185	141.6 Å²	141.6	70%	0.698	69%	0.687	S	S	*	*			cis	-176.1	167.5	8.9	-123.4	163	161.6	110.1	-16.7	103.6
176	E	29.2	Very low	30.1	Very low	136 Å²	136	138.5 Å²	138.5	64%	0.636	68%	0.678	S	S	*	*			trans	60.2	176.7	158.8	-62.6	151.9	-140.9	0	0	114.2
177	K	32.2	Very low	30	Very low	133 Å²	133	139.2 Å²	139.2	58%	0.578	68%	0.682	S	S	*	*			cis	-104.8	145.4	-35.6	-109.1	123	-168.2	162	0	105.6
178	E	28.8	Very low	29.8	Very low	148 Å²	148	139 Å²	139	69%	0.692	68%	0.682	S	S	*	*				40.6	153	90.6	-51.9	-170.1	134.8	0	0	115.3
179	R	31.3	Very low	29.8	Very low	189 Å²	189	143.6 Å²	143.6	71%	0.713	69%	0.693	S	S	*	*			trans	78.5	146	166.3	-50.7	-179.4	-162.2	180	1	115.6
180	D	32.8	Very low	29.9	Very low	104 Å²	104	143.7 Å²	143.7	56%	0.556	69%	0.685	S	S	*	*			cis	-169.3	154.1	-17.3	-95.7	-23.5	0	0	0	104.8
181	R	32.3	Very low	30	Very low	188 Å²	188	144 Å²	144	71%	0.709	69%	0.687	S	S	*	*			cis	-159.6	170.1	-11.4	-126.6	175	-113.1	174.7	6.6	108.7
182	D	30.2	Very low	30.1	Very low	71 Å²	71	144.8 Å²	144.8	38%	0.38	68%	0.684	S	S	.	*			trans	16.5	125.2	148	-53.7	-52.6	0	0	0	120.7	R184	D182-R184 IonicContact OD1-CZ 2.73Å; D182-R184 IonicContact OD1-NE 2.76Å; D182-R184 PolarHBondContact OD1-NE 2.91Å; D182-R184 IonicContact OD1-NH2 2.8Å; D182-R184 PolarHBondContact OD1-NH2 3.35Å
183	R	36.9	Very low	30.1	Very low	238 Å²	238	142.4 Å²	142.4	90%	0.898	68%	0.681	S	S	*	*				-177	102.2	102.4	-87.8	140.2	-164.5	170.5	3.2	107.6
184	R	34	Very low	30.2	Very low	186 Å²	186	137.7 Å²	137.7	70%	0.702	68%	0.684	S	S	*	*				61.7	138.4	71.2	-57.9	-177.6	-168.8	-120.4	5	110.8	D182	D182-R184 IonicContact OD1-CZ 2.73Å; D182-R184 IonicContact OD1-NE 2.76Å; D182-R184 PolarHBondContact OD1-NE 2.91Å; D182-R184 IonicContact OD1-NH2 2.8Å; D182-R184 PolarHBondContact OD1-NH2 3.35Å
185	C	29	Very low	30.5	Very low	129 Å²	129	134.5 Å²	134.5	87%	0.872	67%	0.671	S	S	*	*			cis	-125.7	165.6	32.1	-70.9	0	0	0	0	113.6
186	S	28.2	Very low	30.6	Very low	90 Å²	90	130.5 Å²	130.5	63%	0.629	66%	0.66	S	S	*	*			cis	-170.7	170.7	-21.4	-166.7	0	0	0	0	107.8
187	S	28	Very low	30.7	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	67%	0.666	S	S	*	*			trans	59.5	105.9	-172.5	46.1	0	0	0	0	112.6
188	D	26.7	Very low	30.7	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	68%	0.678	S	S	*	*				73.3	146.7	54.8	-52.8	-55.7	0	0	0	111.6
189	E	28.9	Very low	30.9	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	68%	0.678	S	S	*	*			trans	83	124.6	-176.8	-53.5	-176.1	154.1	0	0	117.7
190	D	29.4	Very low	30.9	Very low	116 Å²	116	135.8 Å²	135.8	62%	0.62	68%	0.675	S	S	*	*			trans	56	97.8	158.8	-57.9	-36	0	0	0	125.2	D192	D190-D192 PolarHBondContact O-N 3.04Å
191	S	29.6	Very low	30.7	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	67%	0.665	S	S	*	*	S	Bend		52.4	-46.7	106.7	-51.2	0	0	0	0	121.8
192	D	30.4	Very low	30.5	Very low	99 Å²	99	127.9 Å²	127.9	53%	0.529	67%	0.668	S	S	.	*			trans	-103.5	-4.2	-143.5	-71.4	-42.7	0	0	0	116.6	D190 A194 S195	D190-D192 PolarHBondContact O-N 3.04Å; D192-A194 PolarHBondContact O-N 3.21Å; D192-S195 VanDerWaalsContact O-CB 3.23Å; D192-S195 WeakPolarHBondContact O-CB 3.38Å; D192-S195 PolarHBondContact O-N 3.05Å; D192-S195 PolarHBondContact O-OG 2.92Å
193	M	29.6	Very low	30.5	Very low	128 Å²	128	133.1 Å²	133.1	63%	0.631	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-74.8	-0.2	-173.1	-58.8	-49.7	-174.7	0	0	115.5	S195 E196	M193-S195 PolarHBondContact O-N 3.16Å; M193-E196 PolarHBondContact O-N 3.38Å; M193-E196 HydrophobicContact SD-CB 3.89Å; M193-E196 HydrophobicContact SD-CG 3.78Å
194	A	32.1	Very low	30.1	Very low	100 Å²	100	128.2 Å²	128.2	83%	0.826	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-67.7	-11	158.7	0	0	0	0	0	113	D192	D192-A194 PolarHBondContact O-N 3.21Å
195	S	33.9	Very low	30	Very low	42 Å²	42	124.5 Å²	124.5	29%	0.294	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-94.1	-15.1	172.8	76.7	0	0	0	0	114.1	D192 M193 F197 R198	D192-S195 VanDerWaalsContact O-CB 3.23Å; D192-S195 WeakPolarHBondContact O-CB 3.38Å; D192-S195 PolarHBondContact O-N 3.05Å; D192-S195 PolarHBondContact O-OG 2.92Å; M193-S195 PolarHBondContact O-N 3.16Å; S195-F197 PolarHBondContact O-N 3.11Å; S195-R198 WeakPolarHBondContact O-CA 3.49Å; S195-R198 WeakPolarHBondContact O-CB 3.46Å; S195-R198 VanDerWaalsContact O-CG 3.32Å; S195-R198 WeakPolarHBondContact O-CG 3.33Å; S195-R198 PolarHBondContact O-N 3.16Å
196	E	28.4	Very low	30	Very low	102 Å²	102	121.8 Å²	121.8	48%	0.477	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-74.7	-23.3	-162.3	-138.4	-171.6	-153.2	0	0	114.5	M193 R198 Q199 R200	M193-E196 PolarHBondContact O-N 3.38Å; M193-E196 HydrophobicContact SD-CB 3.89Å; M193-E196 HydrophobicContact SD-CG 3.78Å; E196-R198 PolarHBondContact O-N 3.45Å; E196-Q199 CarbonylContact O-C 3.6Å; E196-Q199 WeakPolarHBondContact O-CA 3.35Å; E196-Q199 PolarHBondContact O-N 3.38Å; E196-R200 PolarHBondContact O-N 3.17Å
197	F	31.4	Very low	30.4	Very low	172 Å²	172	120.8 Å²	120.8	75%	0.754	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-74.5	-2.5	166.9	-127.4	-75.7	0	0	0	113.4	S195 Q199 R200	S195-F197 PolarHBondContact O-N 3.11Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; F197-R200 HydrophobicContact CD1-CB 4.11Å; F197-R200 HydrophobicContact CE1-CB 4.14Å; F197-R200 HydrophobicContact CG-CB 4.38Å; F197-R200 HydrophobicContact CZ-CB 4.46Å; F197-R200 VanDerWaalsContact CZ-CD 3.43Å; F197-R200 HydrophobicContact CZ-CG 4.49Å
198	R	33.1	Very low	31	Very low	222 Å²	222	121.2 Å²	121.2	84%	0.838	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-84.5	-3.2	161.5	-46.8	178	179.4	-173.6	-1.3	112.4	S195 E196	S195-R198 WeakPolarHBondContact O-CA 3.49Å; S195-R198 WeakPolarHBondContact O-CB 3.46Å; S195-R198 VanDerWaalsContact O-CG 3.32Å; S195-R198 WeakPolarHBondContact O-CG 3.33Å; S195-R198 PolarHBondContact O-N 3.16Å; E196-R198 PolarHBondContact O-N 3.45Å
199	Q	32.9	Very low	32.5	Very low	145 Å²	145	115.9 Å²	115.9	68%	0.678	64%	0.64	S	S	*	*	S	Bend	trans	-118.8	-1.1	177	-64.5	-171.3	0.7	0	0	113.8	E196 F197 G201	E196-Q199 CarbonylContact O-C 3.6Å; E196-Q199 WeakPolarHBondContact O-CA 3.35Å; E196-Q199 PolarHBondContact O-N 3.38Å; F197-Q199 VanDerWaalsContact C-N 3.3Å; Q199-G201 PolarHBondContact O-N 3.49Å
200	R	30.9	Very low	34.4	Very low	177 Å²	177	113.6 Å²	113.6	67%	0.668	63%	0.63	S	S	*	*	S	Bend	trans	-77.7	61.6	-177.5	-155.1	177.2	-154.8	-95.4	-1.2	113.9	E196 F197	E196-R200 PolarHBondContact O-N 3.17Å; F197-R200 HydrophobicContact CD1-CB 4.11Å; F197-R200 HydrophobicContact CE1-CB 4.14Å; F197-R200 HydrophobicContact CG-CB 4.38Å; F197-R200 HydrophobicContact CZ-CB 4.46Å; F197-R200 VanDerWaalsContact CZ-CD 3.43Å; F197-R200 HydrophobicContact CZ-CG 4.49Å
201	G	28.3	Very low	36.6	Very low	32 Å²	32	111 Å²	111	33%	0.33	62%	0.619	S	S	.	*			trans	117.9	81.8	164.9	0	0	0	0	0	114.7	Q199 Y203	Q199-G201 PolarHBondContact O-N 3.49Å; G201-Y203 PolarHBondContact O-N 3.45Å
202	A	29.6	Very low	39.1	Very low	95 Å²	95	107.7 Å²	107.7	79%	0.785	59%	0.593	S	S	*	*			trans	-70	28	160.9	0	0	0	0	0	112.9
203	Y	28.4	Very low	41.8	Very low	181 Å²	181	105.7 Å²	105.7	71%	0.71	58%	0.582	S	S	*	*			trans	-105.1	24.8	-174.9	53.8	-116.8	0	0	0	113.6	G201	G201-Y203 PolarHBondContact O-N 3.45Å
204	N	29.9	Very low	44.5	Very low	134 Å²	134	100.5 Å²	100.5	72%	0.717	56%	0.557	S	S	*	*	S	Bend	trans	-127.8	10.5	160.1	-126.5	63.3	0	0	0	112.8
205	S	30.8	Very low	47.2	Very low	109 Å²	109	95.8 Å²	95.8	76%	0.762	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	124.8	155.4	-173.1	0	0	0	0	106.7
206	G	29.1	Very low	49.8	Very low	71 Å²	71	94.1 Å²	94.1	73%	0.732	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	32.7	-176.1	0	0	0	0	0	115.9	S208	G206-S208 PolarHBondContact O-N 3.13Å
207	S	36.3	Very low	52.7	Low	70 Å²	70	89.3 Å²	89.3	49%	0.49	48%	0.483	S	S	.	.			trans	-64.6	111.9	140.8	-176.6	0	0	0	0	106	V209	S207-V209 PolarHBondContact O-N 2.95Å
208	S	40.5	Very low	55.4	Low	112 Å²	112	82.1 Å²	82.1	78%	0.783	45%	0.451	S	S	*	.			trans	-74.9	63.5	-174.4	-178	0	0	0	0	110.7	G206 E210	G206-S208 PolarHBondContact O-N 3.13Å; S208-E210 PolarHBondContact O-N 3.36Å
209	V	59.3	Low	57.7	Low	32 Å²	32	73.8 Å²	73.8	19%	0.194	44%	0.435	C	S	.	.			trans	-64	114.8	166.9	-173.6	0	0	0	0	106.6	S207	S207-V209 PolarHBondContact O-N 2.95Å
210	E	68.9	Low	60.2	Low	138 Å²	138	67 Å²	67	65%	0.645	40%	0.403	S	S	*	.			trans	-51.6	133.7	176.8	-63.3	173.2	136.5	0	0	109.2	S208 L212	S208-E210 PolarHBondContact O-N 3.36Å; E210-L212 PolarHBondContact O-N 3.33Å
211	P	76	Confident	62.6	Low	61 Å²	61	62.6 Å²	62.6	40%	0.396	39%	0.389	S	S	.	.			trans	-66.1	121.4	-176	27.7	-34.4	0	0	0	109.5	V265 T269 Y290	P211-V265 HydrophobicContact CB-CG1 3.69Å; P211-V265 HydrophobicContact CG-CG1 3.9Å; P211-V265 VanDerWaalsContact O-CG1 3.25Å; P211-V265 WeakPolarHBondContact O-CG1 3.41Å; P211-T269 HydrophobicContact CB-CG2 3.46Å; P211-T269 VanDerWaalsContact CB-CG2 3.46Å; P211-T269 HydrophobicContact CG-CG2 4.24Å; P211-Y290 HydrophobicContact CB-CE1 4.11Å; P211-Y290 HydrophobicContact CB-CE2 4.27Å
212	L	82.2	Confident	65.1	Low	40 Å²	40	68.1 Å²	68.1	21%	0.209	40%	0.404	C	S	.	.			trans	-113.6	151	178.4	-58.9	-170	0	0	0	110.6	E210 N214 A268 S291 T293	E210-L212 PolarHBondContact O-N 3.33Å; L212-N214 PolarHBondContact O-N 2.69Å; L212-A268 WeakPolarHBondContact O-CB 3.47Å; L212-S291 WeakPolarHBondContact CD1-O 3.36Å; L212-T293 HydrophobicContact CD1-CG2 3.66Å; L212-T293 HydrophobicContact CD2-CG2 4.16Å
213	N	86.1	Confident	67.6	Low	57 Å²	57	70.1 Å²	70.1	31%	0.305	40%	0.396	S	S	.	.	S	Bend	trans	-56.3	-15.4	173.7	-46.6	44.9	0	0	0	113.5	E261 F262 K263 V265	N213-E261 CarbonylContact O-C 3.48Å; N213-E261 WeakPolarHBondContact O-CA 3.45Å; N213-F262 PolarHBondContact O-N 2.97Å; N213-K263 PolarHBondContact ND2-O 3.41Å; N213-K263 VanDerWaalsContact ND2-O 3.11Å; N213-V265 WeakPolarHBondContact OD1-CG2 3.36Å
214	N	86.9	Confident	70.2	Confident	19 Å²	19	62 Å²	62	10%	0.102	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.2	-173.2	-166.9	-51.1	0	0	0	110.7	L212 F259 V260 E261 S291	L212-N214 PolarHBondContact O-N 2.69Å; N214-F259 WeakPolarHBondContact OD1-CD1 3.37Å; N214-V260 CarbonylContact C-O 3.58Å; N214-V260 WeakPolarHBondContact CA-O 3.12Å; N214-E261 PolarHBondContact ND2-OE1 3.49Å; N214-S291 VanDerWaalsContact O-CB 3.26Å; N214-S291 WeakPolarHBondContact O-CB 3.31Å; N214-S291 PolarHBondContact O-N 2.91Å; N214-S291 PolarHBondContact O-OG 3.32Å
215	I	88.1	Confident	72.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.2	-175.9	-73.6	169	0	0	0	109.9	L217 F259 V260 F262 A268 W271 M272 M288 Q289 Y290	I215-L217 HydrophobicContact CG2-CD2 4.49Å; I215-F259 WeakPolarHBondContact O-CA 3.43Å; I215-V260 PolarHBondContact N-O 2.84Å; I215-V260 PolarHBondContact O-N 3.18Å; I215-F262 HydrophobicContact CD1-CE2 4.16Å; I215-A268 HydrophobicContact CD1-CB 3.76Å; I215-A268 VanDerWaalsContact CD1-O 3.28Å; I215-A268 WeakPolarHBondContact CD1-O 3.44Å; I215-A268 HydrophobicContact CG1-CB 4.34Å; I215-W271 HydrophobicContact CB-CE3 4.48Å; I215-W271 HydrophobicContact CB-CZ3 4.27Å; I215-W271 HydrophobicContact CD1-CE3 3.88Å; I215-W271 HydrophobicContact CG2-CE3 4.21Å; I215-W271 HydrophobicContact CG2-CZ3 3.85Å; I215-M272 HydrophobicContact CD1-CB 4.5Å; I215-M272 HydrophobicContact CD1-CE 3.7Å; I215-M272 HydrophobicContact CG1-CE 3.75Å; I215-M272 HydrophobicContact CG2-CE 4Å; I215-M288 HydrophobicContact CG2-CB 4.27Å; I215-M288 HydrophobicContact CG2-CE 4.18Å; I215-Q289 CarbonylContact C-O 3.59Å; I215-Q289 WeakPolarHBondContact CA-O 3.37Å; I215-Y290 HydrophobicContact CD1-CD1 4.26Å; I215-Y290 HydrophobicContact CD1-CE1 4.17Å; I215-Y290 HydrophobicContact CG1-CD1 3.87Å; I215-Y290 HydrophobicContact CG1-CE1 4.29Å
216	I	88.5	Confident	75.5	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.1	175.6	-43.4	-176.6	0	0	0	109.4	F218 A258 F259 M288 Q289	I216-F218 HydrophobicContact CB-CD2 4.32Å; I216-F218 HydrophobicContact CB-CE2 3.78Å; I216-F218 HydrophobicContact CB-CZ 4.09Å; I216-F218 HydrophobicContact CD1-CE2 4.48Å; I216-F218 HydrophobicContact CD1-CZ 4.18Å; I216-F218 HydrophobicContact CG2-CD1 4.28Å; I216-F218 HydrophobicContact CG2-CD2 4.03Å; I216-F218 HydrophobicContact CG2-CE1 3.89Å; I216-F218 HydrophobicContact CG2-CE2 3.62Å; I216-F218 HydrophobicContact CG2-CG 4.36Å; I216-F218 HydrophobicContact CG2-CZ 3.55Å; I216-A258 WeakPolarHBondContact CA-O 3.24Å; I216-F259 HydrophobicContact CD1-CD1 4.44Å; I216-F259 HydrophobicContact CD1-CE1 3.78Å; I216-F259 HydrophobicContact CG1-CD1 3.87Å; I216-F259 HydrophobicContact CG1-CE1 3.72Å; I216-F259 HydrophobicContact CG2-CE1 4.39Å; I216-M288 WeakPolarHBondContact O-CA 3.45Å; I216-Q289 PolarHBondContact N-O 3.41Å; I216-Q289 PolarHBondContact O-N 2.92Å
217	L	89.8	Confident	78.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.7	169.9	-61.5	-175	0	0	0	109.4	I215 L220 I229 F257 A258 V260 W271 L279 V286 M288	I215-L217 HydrophobicContact CG2-CD2 4.49Å; L217-L220 HydrophobicContact CB-CD1 4.3Å; L217-L220 HydrophobicContact CB-CD2 4.17Å; L217-L220 HydrophobicContact CB-CG 4.28Å; L217-L220 HydrophobicContact CD1-CD2 4.28Å; L217-I229 HydrophobicContact CD1-CD1 3.99Å; L217-I229 HydrophobicContact CD1-CG1 4.07Å; L217-I229 HydrophobicContact CD1-CG2 3.8Å; L217-F257 CarbonylContact O-C 3.6Å; L217-F257 WeakPolarHBondContact O-CA 3.41Å; L217-F257 WeakPolarHBondContact O-CB 3.34Å; L217-A258 HydrophobicContact CB-CB 4.46Å; L217-A258 PolarHBondContact N-O 2.85Å; L217-A258 PolarHBondContact O-N 3.32Å; L217-V260 HydrophobicContact CD1-CG2 3.91Å; L217-V260 HydrophobicContact CG-CG2 4.18Å; L217-W271 HydrophobicContact CD1-CH2 4.18Å; L217-W271 HydrophobicContact CD2-CH2 3.74Å; L217-W271 HydrophobicContact CD2-CZ3 4.15Å; L217-W271 HydrophobicContact CG-CH2 4.31Å; L217-L279 HydrophobicContact CD1-CD2 4.07Å; L217-L279 HydrophobicContact CD2-CD2 4.29Å; L217-V286 HydrophobicContact CB-CG1 3.9Å; L217-V286 HydrophobicContact CD2-CG1 4.32Å; L217-M288 HydrophobicContact CD2-CB 4.37Å; L217-M288 HydrophobicContact CD2-CG 3.6Å; L217-M288 HydrophobicContact CD2-SD 4.37Å
218	F	88.1	Confident	80.6	Confident	21 Å²	21	56.6 Å²	56.6	9%	0.092	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.5	175.5	-63.4	-82.2	0	0	0	111.7	L71 I216 F257 V286 T287 Q289	L71-F218 HydrophobicContact CD1-CD1 4.34Å; L71-F218 HydrophobicContact CD1-CE1 4.33Å; I216-F218 HydrophobicContact CB-CD2 4.32Å; I216-F218 HydrophobicContact CB-CE2 3.78Å; I216-F218 HydrophobicContact CB-CZ 4.09Å; I216-F218 HydrophobicContact CD1-CE2 4.48Å; I216-F218 HydrophobicContact CD1-CZ 4.18Å; I216-F218 HydrophobicContact CG2-CD1 4.28Å; I216-F218 HydrophobicContact CG2-CD2 4.03Å; I216-F218 HydrophobicContact CG2-CE1 3.89Å; I216-F218 HydrophobicContact CG2-CE2 3.62Å; I216-F218 HydrophobicContact CG2-CG 4.36Å; I216-F218 HydrophobicContact CG2-CZ 3.55Å; F218-F257 HydrophobicContact CD1-CB 4.11Å; F218-V286 CarbonylContact O-C 3.53Å; F218-V286 WeakPolarHBondContact O-CA 3.31Å; F218-V286 WeakPolarHBondContact O-CG1 3.45Å; F218-T287 PolarHBondContact N-O 2.83Å; F218-T287 PolarHBondContact O-N 3.21Å; F218-T287 PolarHBondContact O-OG1 3.38Å; F218-Q289 HydrophobicContact CE2-CB 4.26Å
219	G	81.7	Confident	82.8	Confident	48 Å²	48	51.3 Å²	51.3	50%	0.495	28%	0.277	S	S	.	.	S	Bend	trans	93.5	13.2	177.6	0	0	0	0	0	114.8	K221 C256	G219-K221 PolarHBondContact O-N 3.43Å; G219-C256 PolarHBondContact N-O 3.21Å
220	L	85.6	Confident	84.2	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.289	C	S	.	.			trans	-58.8	136.3	174.8	-59.5	-179.7	0	0	0	110.9	L217 V224 I229 C256 A258 L281 V286	L217-L220 HydrophobicContact CB-CD1 4.3Å; L217-L220 HydrophobicContact CB-CD2 4.17Å; L217-L220 HydrophobicContact CB-CG 4.28Å; L217-L220 HydrophobicContact CD1-CD2 4.28Å; L220-V224 HydrophobicContact CB-CB 4.39Å; L220-V224 HydrophobicContact CD2-CG1 4.23Å; L220-I229 HydrophobicContact CD1-CD1 4.08Å; L220-C256 PolarHBondContact N-O 3.19Å; L220-C256 WeakPolarHBondContact O-CA 3.46Å; L220-C256 WeakPolarHBondContact O-CB 3.47Å; L220-C256 PolarHBondContact O-SG 2.98Å; L220-A258 HydrophobicContact CD1-CB 3.43Å; L220-A258 VanDerWaalsContact CD1-CB 3.43Å; L220-L281 HydrophobicContact CD2-CD1 3.78Å; L220-V286 HydrophobicContact CD2-CB 4.34Å; L220-V286 HydrophobicContact CD2-CG1 3.53Å; L220-V286 HydrophobicContact CD2-CG2 3.87Å; L220-V286 HydrophobicContact CG-CG1 4.3Å
221	K	81.2	Confident	85	Confident	83 Å²	83	48.9 Å²	48.9	36%	0.361	27%	0.272	S	S	.	.			trans	-66.4	153	169.3	-89.1	-174.2	170.5	172.3	0	110.8	G219 H223 V224 H284	G219-K221 PolarHBondContact O-N 3.43Å; K221-H223 VanDerWaalsContact CD-NE2 3.27Å; K221-H223 WeakPolarHBondContact CD-NE2 3.39Å; K221-H223 PolarHBondContact O-N 2.95Å; K221-H223 VanDerWaalsContact O-N 3.08Å; K221-V224 HydrophobicContact CB-CG2 3.94Å; K221-V224 WeakPolarHBondContact O-CB 3.44Å; K221-V224 WeakPolarHBondContact O-CG2 3.47Å; K221-V224 PolarHBondContact O-N 2.59Å; K221-H284 WeakPolarHBondContact CE-CD2 3.46Å; K221-H284 VanDerWaalsContact CE-CE1 3.49Å; K221-H284 WeakPolarHBondContact CE-CE1 3.47Å; K221-H284 WeakPolarHBondContact CE-NE2 3.47Å; K221-H284 PolarHBondContact NZ-CD2 2.71Å; K221-H284 PolarHBondContact NZ-NE2 3.03Å
222	K	81.1	Confident	85.4	Confident	149 Å²	149	47.9 Å²	47.9	65%	0.648	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.3	-178.4	-68.4	-175.9	178.5	179.7	0	114.6	S254	K222-S254 PolarHBondContact O-OG 3.26Å
223	H	81.1	Confident	85.7	Confident	136 Å²	136	46 Å²	46	63%	0.63	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.9	178.1	53.8	-134.7	0	0	0	115	K221 T225	K221-H223 VanDerWaalsContact CD-NE2 3.27Å; K221-H223 WeakPolarHBondContact CD-NE2 3.39Å; K221-H223 PolarHBondContact O-N 2.95Å; K221-H223 VanDerWaalsContact O-N 3.08Å; H223-T225 PolarHBondContact O-N 3.49Å
224	V	82.5	Confident	85.7	Confident	12 Å²	12	48.4 Å²	48.4	7%	0.073	26%	0.264	C	S	.	.			trans	-67.1	128.9	179.3	-179.5	0	0	0	0	109.2	L220 K221 D228 I229 L281	L220-V224 HydrophobicContact CB-CB 4.39Å; L220-V224 HydrophobicContact CD2-CG1 4.23Å; K221-V224 HydrophobicContact CB-CG2 3.94Å; K221-V224 WeakPolarHBondContact O-CB 3.44Å; K221-V224 WeakPolarHBondContact O-CG2 3.47Å; K221-V224 PolarHBondContact O-N 2.59Å; V224-D228 HydrophobicContact CG1-CB 4.01Å; V224-I229 HydrophobicContact CG1-CD1 4.35Å; V224-I229 HydrophobicContact CG1-CG1 4.05Å; V224-L281 HydrophobicContact CG1-CD1 4.18Å
225	T	85	Confident	85.6	Confident	51 Å²	51	54.2 Å²	54.2	31%	0.313	29%	0.288	S	S	.	.			trans	-106.3	170.8	-180	70.2	0	0	0	0	111	H223 A227 D228 I229	H223-T225 PolarHBondContact O-N 3.49Å; T225-A227 PolarHBondContact O-N 2.74Å; T225-A227 PolarHBondContact OG1-N 2.67Å; T225-D228 WeakPolarHBondContact CA-OD2 3.28Å; T225-D228 WeakPolarHBondContact CB-OD2 3.32Å; T225-D228 PolarHBondContact N-OD2 2.57Å; T225-D228 PolarHBondContact O-N 3.14Å; T225-D228 PolarHBondContact OG1-N 3.18Å; T225-D228 PolarHBondContact OG1-OD2 2.9Å; T225-I229 PolarHBondContact O-N 3.08Å
226	E	86.8	Confident	85.4	Confident	81 Å²	81	56.5 Å²	56.5	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-29.9	174.6	-70.2	149.4	172.8	0	0	111	I229 M230 I243 V245	E226-I229 PolarHBondContact O-N 3.49Å; E226-M230 VanDerWaalsContact O-CB 3.3Å; E226-M230 WeakPolarHBondContact O-CB 3.14Å; E226-M230 PolarHBondContact O-N 3.14Å; E226-I243 HydrophobicContact CB-CB 4.42Å; E226-I243 HydrophobicContact CB-CG2 4.11Å; E226-I243 HydrophobicContact CG-CB 4.38Å; E226-I243 HydrophobicContact CG-CG2 3.9Å; E226-V245 HydrophobicContact CG-CB 3.96Å; E226-V245 HydrophobicContact CG-CG2 3.61Å; E226-V245 PolarHBondContact OE1-N 2.75Å
227	A	85.9	Confident	85.2	Confident	61 Å²	61	63.1 Å²	63.1	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-68.5	-34.1	175.4	0	0	0	0	0	113.4	T225 G231	T225-A227 PolarHBondContact O-N 2.74Å; T225-A227 PolarHBondContact OG1-N 2.67Å; A227-G231 PolarHBondContact O-N 2.84Å
228	D	87.5	Confident	85	Confident	77 Å²	77	63.7 Å²	63.7	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-41.8	176.2	-57.3	-68.6	0	0	0	111.1	V224 T225 G231 E232 L281	V224-D228 HydrophobicContact CG1-CB 4.01Å; T225-D228 WeakPolarHBondContact CA-OD2 3.28Å; T225-D228 WeakPolarHBondContact CB-OD2 3.32Å; T225-D228 PolarHBondContact N-OD2 2.57Å; T225-D228 PolarHBondContact O-N 3.14Å; T225-D228 PolarHBondContact OG1-N 3.18Å; T225-D228 PolarHBondContact OG1-OD2 2.9Å; D228-G231 PolarHBondContact O-N 3.44Å; D228-E232 PolarHBondContact O-N 2.9Å; D228-L281 HydrophobicContact CB-CD2 4.13Å
229	I	87.9	Confident	84.9	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-43.8	176.3	-60.8	162.5	0	0	0	110.2	L217 L220 V224 T225 E226 G231 E232 L233 I243 V245 A258 V260 L281	L217-I229 HydrophobicContact CD1-CD1 3.99Å; L217-I229 HydrophobicContact CD1-CG1 4.07Å; L217-I229 HydrophobicContact CD1-CG2 3.8Å; L220-I229 HydrophobicContact CD1-CD1 4.08Å; V224-I229 HydrophobicContact CG1-CD1 4.35Å; V224-I229 HydrophobicContact CG1-CG1 4.05Å; T225-I229 PolarHBondContact O-N 3.08Å; E226-I229 PolarHBondContact O-N 3.49Å; I229-G231 VanDerWaalsContact C-N 3.28Å; I229-G231 PolarHBondContact O-N 3.36Å; I229-E232 PolarHBondContact O-N 2.7Å; I229-L233 HydrophobicContact CG2-CD1 4.13Å; I229-L233 PolarHBondContact O-N 3.23Å; I229-L233 VanDerWaalsContact O-N 3.13Å; I229-I243 HydrophobicContact CB-CD1 4.46Å; I229-I243 HydrophobicContact CB-CG2 4.2Å; I229-I243 HydrophobicContact CD1-CG2 4.02Å; I229-I243 HydrophobicContact CG2-CD1 4.23Å; I229-I243 HydrophobicContact CG2-CG2 4.06Å; I229-V245 HydrophobicContact CD1-CG2 3.59Å; I229-A258 HydrophobicContact CD1-CB 3.95Å; I229-V260 HydrophobicContact CG2-CG2 3.91Å; I229-L281 HydrophobicContact CG1-CD1 4.33Å
230	M	87.4	Confident	85.2	Confident	92 Å²	92	68.2 Å²	68.2	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-37.7	173.9	-166.8	173.1	68.8	0	0	111.7	E226 E232 L233 I234 I243	E226-M230 VanDerWaalsContact O-CB 3.3Å; E226-M230 WeakPolarHBondContact O-CB 3.14Å; E226-M230 PolarHBondContact O-N 3.14Å; M230-E232 VanDerWaalsContact C-N 3.31Å; M230-E232 PolarHBondContact O-N 3.26Å; M230-L233 PolarHBondContact O-N 2.84Å; M230-I234 HydrophobicContact CG-CD1 3.97Å; M230-I234 HydrophobicContact CG-CG1 4.45Å; M230-I234 VanDerWaalsContact O-CG1 3.27Å; M230-I234 WeakPolarHBondContact O-CG1 3.46Å; M230-I234 PolarHBondContact O-N 2.81Å; M230-I243 HydrophobicContact CB-CD1 3.72Å; M230-I243 HydrophobicContact CG-CD1 4.29Å
231	G	86	Confident	85.3	Confident	28 Å²	28	72 Å²	72	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-30.2	176.7	0	0	0	0	0	114.1	A227 D228 I229 K235	A227-G231 PolarHBondContact O-N 2.84Å; D228-G231 PolarHBondContact O-N 3.44Å; I229-G231 VanDerWaalsContact C-N 3.28Å; I229-G231 PolarHBondContact O-N 3.36Å; G231-K235 WeakPolarHBondContact O-CE 3.5Å; G231-K235 WeakPolarHBondContact O-CG 3.34Å
232	E	85.1	Confident	85.6	Confident	40 Å²	40	70.1 Å²	70.1	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-78.3	-37.5	170	-62.1	-55.6	144.4	0	0	112.2	D228 I229 M230 I234 K235 V236 L279 L281	D228-E232 PolarHBondContact O-N 2.9Å; I229-E232 PolarHBondContact O-N 2.7Å; M230-E232 VanDerWaalsContact C-N 3.31Å; M230-E232 PolarHBondContact O-N 3.26Å; E232-I234 PolarHBondContact O-N 3.41Å; E232-K235 PolarHBondContact O-N 2.86Å; E232-K235 IonicContact OE1-NZ 2.74Å; E232-K235 PolarHBondContact OE1-NZ 2.94Å; E232-K235 WeakPolarHBondContact OE2-CD 3.45Å; E232-K235 WeakPolarHBondContact OE2-CE 3.27Å; E232-K235 IonicContact OE2-NZ 3.43Å; E232-K235 PolarHBondContact OE2-NZ 3.34Å; E232-V236 WeakPolarHBondContact O-CG2 3.34Å; E232-L279 HydrophobicContact CB-CD1 4Å; E232-L279 HydrophobicContact CG-CD1 4.35Å; E232-L281 HydrophobicContact CG-CD2 3.51Å; E232-L281 HydrophobicContact CG-CG 4.1Å
233	L	87.5	Confident	86	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.5	-38.5	177.7	-76.3	162.1	0	0	0	112.8	I229 M230 K235 V236 D237 L238 P240 I243 V260 F262 W271	I229-L233 HydrophobicContact CG2-CD1 4.13Å; I229-L233 PolarHBondContact O-N 3.23Å; I229-L233 VanDerWaalsContact O-N 3.13Å; M230-L233 PolarHBondContact O-N 2.84Å; L233-K235 PolarHBondContact O-N 3.37Å; L233-V236 PolarHBondContact O-N 2.86Å; L233-D237 PolarHBondContact O-N 2.99Å; L233-L238 HydrophobicContact CD2-CB 4.32Å; L233-L238 PolarHBondContact O-N 3.41Å; L233-P240 HydrophobicContact CD1-CB 4.33Å; L233-P240 HydrophobicContact CD1-CG 3.83Å; L233-I243 HydrophobicContact CD1-CD1 4.1Å; L233-V260 HydrophobicContact CD1-CG1 3.96Å; L233-F262 HydrophobicContact CD2-CE1 4.08Å; L233-F262 HydrophobicContact CD2-CZ 3.85Å; L233-W271 HydrophobicContact CD1-CZ2 4.45Å; L233-W271 HydrophobicContact CD2-CD2 3.82Å; L233-W271 VanDerWaalsContact CD2-CE2 3.41Å; L233-W271 HydrophobicContact CD2-CE3 4.46Å; L233-W271 HydrophobicContact CD2-CG 4.12Å; L233-W271 HydrophobicContact CD2-CH2 4.31Å; L233-W271 HydrophobicContact CD2-CZ2 3.7Å; L233-W271 HydrophobicContact CG-CZ2 4.02Å
234	I	86.6	Confident	86.2	Confident	108 Å²	108	65.7 Å²	65.7	55%	0.554	35%	0.348	S	S	*	.	H	α-helix	trans	-61.1	-30.8	175.4	-71.6	164.2	0	0	0	112	M230 E232 V236	M230-I234 HydrophobicContact CG-CD1 3.97Å; M230-I234 HydrophobicContact CG-CG1 4.45Å; M230-I234 VanDerWaalsContact O-CG1 3.27Å; M230-I234 WeakPolarHBondContact O-CG1 3.46Å; M230-I234 PolarHBondContact O-N 2.81Å; E232-I234 PolarHBondContact O-N 3.41Å; I234-V236 PolarHBondContact O-N 3.34Å
235	K	84.1	Confident	86.4	Confident	141 Å²	141	65.6 Å²	65.6	61%	0.613	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.4	176.4	-60.6	172.6	-158.8	170.8	0	113.7	G231 E232 L233	G231-K235 WeakPolarHBondContact O-CE 3.5Å; G231-K235 WeakPolarHBondContact O-CG 3.34Å; E232-K235 PolarHBondContact O-N 2.86Å; E232-K235 IonicContact OE1-NZ 2.74Å; E232-K235 PolarHBondContact OE1-NZ 2.94Å; E232-K235 WeakPolarHBondContact OE2-CD 3.45Å; E232-K235 WeakPolarHBondContact OE2-CE 3.27Å; E232-K235 IonicContact OE2-NZ 3.43Å; E232-K235 PolarHBondContact OE2-NZ 3.34Å; L233-K235 PolarHBondContact O-N 3.37Å
236	V	84.2	Confident	86.3	Confident	47 Å²	47	65.6 Å²	65.6	29%	0.285	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	3.5	-171.8	-170.8	0	0	0	0	111.3	E232 L233 I234 L238 L274	E232-V236 WeakPolarHBondContact O-CG2 3.34Å; L233-V236 PolarHBondContact O-N 2.86Å; I234-V236 PolarHBondContact O-N 3.34Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 HydrophobicContact CB-CD1 4.5Å; V236-L238 HydrophobicContact CG1-CD1 3.83Å; V236-L238 HydrophobicContact CG1-CG 4.15Å; V236-L238 PolarHBondContact O-N 3.33Å; V236-L274 HydrophobicContact CG1-CD1 3.56Å
237	D	84.6	Confident	86.1	Confident	147 Å²	147	67.5 Å²	67.5	79%	0.786	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	46.7	-174.1	-64.7	-31.3	0	0	0	112.8	L233	L233-D237 PolarHBondContact O-N 2.99Å
238	L	85.5	Confident	85.5	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.068	34%	0.336	C	S	.	.			trans	-125.4	129.1	177.3	-65.5	177.7	0	0	0	112	L233 V236 F262 W271	L233-L238 HydrophobicContact CD2-CB 4.32Å; L233-L238 PolarHBondContact O-N 3.41Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 HydrophobicContact CB-CD1 4.5Å; V236-L238 HydrophobicContact CG1-CD1 3.83Å; V236-L238 HydrophobicContact CG1-CG 4.15Å; V236-L238 PolarHBondContact O-N 3.33Å; L238-F262 HydrophobicContact CB-CE1 4.34Å; L238-W271 HydrophobicContact CD1-CB 3.68Å; L238-W271 HydrophobicContact CD1-CG 4.05Å
239	E	86	Confident	84.8	Confident	132 Å²	132	73.1 Å²	73.1	62%	0.617	36%	0.361	S	S	*	.			trans	-103.3	110.9	179.2	-68.2	-177.5	-177.9	0	0	111.4	K263	E239-K263 IonicContact OE2-NZ 2.64Å; E239-K263 PolarHBondContact OE2-NZ 3.06Å
240	P	87.2	Confident	83.6	Confident	32 Å²	32	80.7 Å²	80.7	21%	0.208	40%	0.397	C	S	.	.			trans	-73.8	144.3	169.7	33.2	-36.3	0	0	0	111.2	L233 I243 V260 E261 F262	L233-P240 HydrophobicContact CD1-CB 4.33Å; L233-P240 HydrophobicContact CD1-CG 3.83Å; P240-I243 HydrophobicContact CB-CG1 4.14Å; P240-I243 HydrophobicContact CG-CD1 3.92Å; P240-I243 HydrophobicContact CG-CG1 3.76Å; P240-V260 HydrophobicContact CB-CG1 3.85Å; P240-E261 CarbonylContact C-O 3.56Å; P240-E261 WeakPolarHBondContact CA-O 3.18Å; P240-E261 WeakPolarHBondContact CB-O 3.41Å; P240-F262 HydrophobicContact CB-CE1 4.44Å
241	T	88.5	Confident	82.8	Confident	82 Å²	82	80.8 Å²	80.8	50%	0.503	40%	0.402	S	S	.	.	S	Bend	trans	-64	-43.3	164.6	-50.5	0	0	0	0	111.3	E261 F262 K263	T241-E261 WeakPolarHBondContact CA-O 3.34Å; T241-E261 WeakPolarHBondContact CB-O 3.46Å; T241-E261 PolarHBondContact N-O 3.16Å; T241-F262 PolarHBondContact OG1-O 3.03Å; T241-K263 WeakPolarHBondContact OG1-CA 3.37Å; T241-K263 VanDerWaalsContact OG1-CG 3.26Å; T241-K263 WeakPolarHBondContact OG1-CG 3.33Å; T241-K263 PolarHBondContact OG1-N 3.08Å; T241-K263 VanDerWaalsContact OG1-N 3.13Å
242	S	86.9	Confident	82	Confident	44 Å²	44	81.7 Å²	81.7	31%	0.308	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146	177.4	86.4	0	0	0	0	112.5	E261	S242-E261 PolarHBondContact N-O 2.94Å; S242-E261 VanDerWaalsContact N-O 3.12Å; S242-E261 PolarHBondContact O-N 3.49Å; S242-E261 WeakPolarHBondContact OG-CB 3.26Å; S242-E261 PolarHBondContact OG-OE2 3.49Å
243	I	89.1	Confident	81.3	Confident	32 Å²	32	81.6 Å²	81.6	16%	0.164	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.4	167.6	-52.2	176	0	0	0	106.6	E226 I229 M230 L233 P240 V260	E226-I243 HydrophobicContact CB-CB 4.42Å; E226-I243 HydrophobicContact CB-CG2 4.11Å; E226-I243 HydrophobicContact CG-CB 4.38Å; E226-I243 HydrophobicContact CG-CG2 3.9Å; I229-I243 HydrophobicContact CB-CD1 4.46Å; I229-I243 HydrophobicContact CB-CG2 4.2Å; I229-I243 HydrophobicContact CD1-CG2 4.02Å; I229-I243 HydrophobicContact CG2-CD1 4.23Å; I229-I243 HydrophobicContact CG2-CG2 4.06Å; M230-I243 HydrophobicContact CB-CD1 3.72Å; M230-I243 HydrophobicContact CG-CD1 4.29Å; L233-I243 HydrophobicContact CD1-CD1 4.1Å; P240-I243 HydrophobicContact CB-CG1 4.14Å; P240-I243 HydrophobicContact CG-CD1 3.92Å; P240-I243 HydrophobicContact CG-CG1 3.76Å; I243-V260 HydrophobicContact CG2-CG2 4.34Å
244	R	86.8	Confident	80.7	Confident	160 Å²	160	82.1 Å²	82.1	60%	0.604	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	100.2	-178.3	-168.5	179.7	-166.9	163.8	8.6	112	M246 A258 F259	R244-M246 HydrophobicContact CG-SD 4.4Å; R244-M246 PolarHBondContact O-N 2.87Å; R244-A258 VanDerWaalsContact O-CA 3.24Å; R244-A258 WeakPolarHBondContact O-CA 3.27Å; R244-A258 WeakPolarHBondContact O-CB 3.43Å; R244-F259 PolarHBondContact N-O 3.4Å; R244-F259 PolarHBondContact O-N 3.32Å
245	V	87.1	Confident	80.2	Confident	10 Å²	10	79.8 Å²	79.8	6%	0.061	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.2	173.9	170.7	0	0	0	0	109.5	E226 I229 R247 A258	E226-V245 HydrophobicContact CG-CB 3.96Å; E226-V245 HydrophobicContact CG-CG2 3.61Å; E226-V245 PolarHBondContact OE1-N 2.75Å; I229-V245 HydrophobicContact CD1-CG2 3.59Å; V245-R247 HydrophobicContact CG1-CG 4.43Å; V245-R247 PolarHBondContact O-N 3.48Å; V245-A258 HydrophobicContact CB-CB 4.39Å; V245-A258 HydrophobicContact CG2-CB 3.84Å
246	M	82.1	Confident	80.1	Confident	51 Å²	51	75.4 Å²	75.4	25%	0.251	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.2	-174.3	-68.6	-72.8	-74.7	0	0	110.9	R244 S254 R255 F257 F259	R244-M246 HydrophobicContact CG-SD 4.4Å; R244-M246 PolarHBondContact O-N 2.87Å; M246-S254 CarbonylContact O-C 3.59Å; M246-S254 WeakPolarHBondContact O-CA 3.3Å; M246-R255 HydrophobicContact CB-CB 4.44Å; M246-R255 HydrophobicContact CB-CG 4.33Å; M246-R255 WeakPolarHBondContact O-CG 3.36Å; M246-R255 PolarHBondContact O-N 3.1Å; M246-F257 HydrophobicContact CB-CD2 4.08Å; M246-F257 HydrophobicContact CB-CE2 3.81Å; M246-F257 HydrophobicContact CB-CZ 4.25Å; M246-F257 HydrophobicContact CG-CD2 4.02Å; M246-F257 HydrophobicContact CG-CE2 3.67Å; M246-F257 HydrophobicContact CG-CZ 4.48Å; M246-F257 PolarHBondContact N-O 3Å; M246-F257 VanDerWaalsContact N-O 3.14Å; M246-F259 HydrophobicContact CE-CE2 4.47Å; M246-F259 HydrophobicContact CG-CD2 3.92Å; M246-F259 HydrophobicContact CG-CE2 3.77Å; M246-F259 HydrophobicContact SD-CD2 4.37Å; M246-F259 HydrophobicContact SD-CE2 4.15Å
247	R	82.3	Confident	80.3	Confident	121 Å²	121	73.3 Å²	73.3	46%	0.457	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.1	-177.3	-64.8	176.7	-178.8	-174.7	3.7	111.5	V245 Q249 G252 A253	V245-R247 HydrophobicContact CG1-CG 4.43Å; V245-R247 PolarHBondContact O-N 3.48Å; R247-Q249 PolarHBondContact O-N 2.85Å; R247-G252 WeakPolarHBondContact CD-O 3.43Å; R247-A253 CarbonylContact C-O 3.6Å; R247-A253 WeakPolarHBondContact CA-O 3.48Å
248	K	74.3	Confident	80.4	Confident	56 Å²	56	66.3 Å²	66.3	24%	0.243	34%	0.342	C	S	.	.			trans	-72.6	117.3	178.1	-178	157.8	176.1	161.6	0	109.2	D75 D78 Q250 T251 G252 A253	D75-K248 VanDerWaalsContact OD1-CE 3.23Å; D75-K248 WeakPolarHBondContact OD1-CE 3.48Å; D75-K248 IonicContact OD1-NZ 3.04Å; D75-K248 PolarHBondContact OD1-NZ 3.46Å; D78-K248 IonicContact OD2-NZ 2.84Å; D78-K248 PolarHBondContact OD2-NZ 3.35Å; K248-Q250 VanDerWaalsContact C-N 3.26Å; K248-Q250 PolarHBondContact O-N 2.71Å; K248-Q250 VanDerWaalsContact O-N 3.09Å; K248-T251 PolarHBondContact O-N 2.93Å; K248-G252 PolarHBondContact O-N 2.94Å; K248-A253 PolarHBondContact N-O 3.49Å
249	Q	71.1	Confident	80.6	Confident	199 Å²	199	67.2 Å²	67.2	93%	0.93	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.4	-166.8	-71.4	177.4	-26.6	0	0	114.7	R247	R247-Q249 PolarHBondContact O-N 2.85Å
250	Q	63.7	Low	80.9	Confident	160 Å²	160	61 Å²	61	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.2	-178.4	-68.4	178.5	-11.2	0	0	114.5	K248	K248-Q250 VanDerWaalsContact C-N 3.26Å; K248-Q250 PolarHBondContact O-N 2.71Å; K248-Q250 VanDerWaalsContact O-N 3.09Å
251	T	70.8	Confident	81	Confident	94 Å²	94	62.4 Å²	62.4	58%	0.577	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-5.1	-168.8	60.5	0	0	0	0	114.3	K248 A253	K248-T251 PolarHBondContact O-N 2.93Å; T251-A253 PolarHBondContact O-N 3.44Å
252	G	68.2	Low	81.1	Confident	46 Å²	46	58.7 Å²	58.7	47%	0.474	30%	0.297	S	S	.	.			trans	66.9	-7.1	-176.1	0	0	0	0	0	115	R247 K248 S254	R247-G252 WeakPolarHBondContact CD-O 3.43Å; K248-G252 PolarHBondContact O-N 2.94Å; G252-S254 PolarHBondContact O-N 3.33Å
253	A	71	Confident	81.1	Confident	39 Å²	39	61.8 Å²	61.8	32%	0.322	30%	0.304	S	S	.	.			trans	-69.6	127.8	-175.3	0	0	0	0	0	111.6	R247 K248 T251 R255	R247-A253 CarbonylContact C-O 3.6Å; R247-A253 WeakPolarHBondContact CA-O 3.48Å; K248-A253 PolarHBondContact N-O 3.49Å; T251-A253 PolarHBondContact O-N 3.44Å; A253-R255 PolarHBondContact O-N 2.87Å
254	S	74.9	Confident	81	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.07	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	133.1	176.5	-46.5	0	0	0	0	111.3	K222 M246 G252 C256	K222-S254 PolarHBondContact O-OG 3.26Å; M246-S254 CarbonylContact O-C 3.59Å; M246-S254 WeakPolarHBondContact O-CA 3.3Å; G252-S254 PolarHBondContact O-N 3.33Å; S254-C256 PolarHBondContact O-N 3.28Å
255	R	75.3	Confident	81.1	Confident	60 Å²	60	57.7 Å²	57.7	23%	0.226	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	11.9	-179.5	-58.4	178.5	75.8	92.1	10.3	113.6	L71 D75 M246 A253 F257	L71-R255 PolarHBondContact O-NH2 3.32Å; D75-R255 IonicContact OD2-CZ 3.7Å; D75-R255 IonicContact OD2-NH1 3.22Å; D75-R255 PolarHBondContact OD2-NH1 3.25Å; D75-R255 IonicContact OD2-NH2 3.79Å; D75-R255 PolarHBondContact OD2-NH2 3.41Å; M246-R255 HydrophobicContact CB-CB 4.44Å; M246-R255 HydrophobicContact CB-CG 4.33Å; M246-R255 WeakPolarHBondContact O-CG 3.36Å; M246-R255 PolarHBondContact O-N 3.1Å; A253-R255 PolarHBondContact O-N 2.87Å; R255-F257 HydrophobicContact CB-CD1 3.76Å; R255-F257 HydrophobicContact CB-CE1 3.57Å; R255-F257 HydrophobicContact CB-CZ 4.26Å; R255-F257 HydrophobicContact CG-CE1 4.35Å; R255-F257 VanDerWaalsContact O-CD1 3.29Å; R255-F257 WeakPolarHBondContact O-CD1 3.26Å; R255-F257 PolarHBondContact O-N 2.64Å
256	C	83.1	Confident	81.2	Confident	49 Å²	49	64.3 Å²	64.3	33%	0.331	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.7	20.2	-172.8	-51.6	0	0	0	0	115.3	G219 L220 S254	G219-C256 PolarHBondContact N-O 3.21Å; L220-C256 PolarHBondContact N-O 3.19Å; L220-C256 WeakPolarHBondContact O-CA 3.46Å; L220-C256 WeakPolarHBondContact O-CB 3.47Å; L220-C256 PolarHBondContact O-SG 2.98Å; S254-C256 PolarHBondContact O-N 3.28Å
257	F	87.5	Confident	81.5	Confident	3 Å²	3	64 Å²	64	1%	0.013	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.2	169.8	67.5	-94.9	0	0	0	113.6	Y68 L71 L217 F218 M246 R255 F259	Y68-F257 HydrophobicContact CD2-CE2 4.19Å; Y68-F257 HydrophobicContact CD2-CZ 4.27Å; Y68-F257 AromaticContact CE2-CE2 3.97Å; Y68-F257 HydrophobicContact CE2-CE2 3.97Å; Y68-F257 HydrophobicContact CE2-CZ 4.16Å; L71-F257 HydrophobicContact CD1-CD1 4.39Å; L217-F257 CarbonylContact O-C 3.6Å; L217-F257 WeakPolarHBondContact O-CA 3.41Å; L217-F257 WeakPolarHBondContact O-CB 3.34Å; F218-F257 HydrophobicContact CD1-CB 4.11Å; M246-F257 HydrophobicContact CB-CD2 4.08Å; M246-F257 HydrophobicContact CB-CE2 3.81Å; M246-F257 HydrophobicContact CB-CZ 4.25Å; M246-F257 HydrophobicContact CG-CD2 4.02Å; M246-F257 HydrophobicContact CG-CE2 3.67Å; M246-F257 HydrophobicContact CG-CZ 4.48Å; M246-F257 PolarHBondContact N-O 3Å; M246-F257 VanDerWaalsContact N-O 3.14Å; R255-F257 HydrophobicContact CB-CD1 3.76Å; R255-F257 HydrophobicContact CB-CE1 3.57Å; R255-F257 HydrophobicContact CB-CZ 4.26Å; R255-F257 HydrophobicContact CG-CE1 4.35Å; R255-F257 VanDerWaalsContact O-CD1 3.29Å; R255-F257 WeakPolarHBondContact O-CD1 3.26Å; R255-F257 PolarHBondContact O-N 2.64Å; F257-F259 HydrophobicContact CD2-CE2 4.32Å; F257-F259 HydrophobicContact CE2-CE2 4Å; F257-F259 HydrophobicContact CE2-CZ 4.31Å
258	A	88	Confident	81.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.3	175.4	0	0	0	0	0	111.2	I216 L217 L220 I229 R244 V245	I216-A258 WeakPolarHBondContact CA-O 3.24Å; L217-A258 HydrophobicContact CB-CB 4.46Å; L217-A258 PolarHBondContact N-O 2.85Å; L217-A258 PolarHBondContact O-N 3.32Å; L220-A258 HydrophobicContact CD1-CB 3.43Å; L220-A258 VanDerWaalsContact CD1-CB 3.43Å; I229-A258 HydrophobicContact CD1-CB 3.95Å; R244-A258 VanDerWaalsContact O-CA 3.24Å; R244-A258 WeakPolarHBondContact O-CA 3.27Å; R244-A258 WeakPolarHBondContact O-CB 3.43Å; V245-A258 HydrophobicContact CB-CB 4.39Å; V245-A258 HydrophobicContact CG2-CB 3.84Å
259	F	89.4	Confident	82.5	Confident	32 Å²	32	56.9 Å²	56.9	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.6	167.3	-61.3	-86.7	0	0	0	109.4	Y68 N214 I215 I216 R244 M246 F257	Y68-F259 HydrophobicContact CD2-CZ 4.46Å; Y68-F259 AromaticContact CE2-CZ 3.74Å; Y68-F259 HydrophobicContact CE2-CZ 3.74Å; N214-F259 WeakPolarHBondContact OD1-CD1 3.37Å; I215-F259 WeakPolarHBondContact O-CA 3.43Å; I216-F259 HydrophobicContact CD1-CD1 4.44Å; I216-F259 HydrophobicContact CD1-CE1 3.78Å; I216-F259 HydrophobicContact CG1-CD1 3.87Å; I216-F259 HydrophobicContact CG1-CE1 3.72Å; I216-F259 HydrophobicContact CG2-CE1 4.39Å; R244-F259 PolarHBondContact N-O 3.4Å; R244-F259 PolarHBondContact O-N 3.32Å; M246-F259 HydrophobicContact CE-CE2 4.47Å; M246-F259 HydrophobicContact CG-CD2 3.92Å; M246-F259 HydrophobicContact CG-CE2 3.77Å; M246-F259 HydrophobicContact SD-CD2 4.37Å; M246-F259 HydrophobicContact SD-CE2 4.15Å; F257-F259 HydrophobicContact CD2-CE2 4.32Å; F257-F259 HydrophobicContact CE2-CE2 4Å; F257-F259 HydrophobicContact CE2-CZ 4.31Å
260	V	90.7	Very high	83.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.5	170.5	-177.3	0	0	0	0	107.4	N214 I215 L217 I229 L233 P240 I243 F262 W271	N214-V260 CarbonylContact C-O 3.58Å; N214-V260 WeakPolarHBondContact CA-O 3.12Å; I215-V260 PolarHBondContact N-O 2.84Å; I215-V260 PolarHBondContact O-N 3.18Å; L217-V260 HydrophobicContact CD1-CG2 3.91Å; L217-V260 HydrophobicContact CG-CG2 4.18Å; I229-V260 HydrophobicContact CG2-CG2 3.91Å; L233-V260 HydrophobicContact CD1-CG1 3.96Å; P240-V260 HydrophobicContact CB-CG1 3.85Å; I243-V260 HydrophobicContact CG2-CG2 4.34Å; V260-F262 HydrophobicContact CB-CE2 4.34Å; V260-F262 HydrophobicContact CG1-CD2 4.35Å; V260-F262 HydrophobicContact CG1-CE2 3.59Å; V260-F262 HydrophobicContact CG1-CZ 3.7Å; V260-W271 HydrophobicContact CB-CH2 4.19Å; V260-W271 HydrophobicContact CB-CZ3 3.8Å; V260-W271 HydrophobicContact CG1-CH2 4.23Å; V260-W271 HydrophobicContact CG1-CZ3 3.89Å; V260-W271 HydrophobicContact CG2-CH2 3.85Å; V260-W271 HydrophobicContact CG2-CZ3 3.96Å
261	E	90.4	Very high	84.6	Confident	63 Å²	63	46.1 Å²	46.1	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.9	-173.6	-173	162.3	-110.1	0	0	109	N213 N214 P240 T241 S242	N213-E261 CarbonylContact O-C 3.48Å; N213-E261 WeakPolarHBondContact O-CA 3.45Å; N214-E261 PolarHBondContact ND2-OE1 3.49Å; P240-E261 CarbonylContact C-O 3.56Å; P240-E261 WeakPolarHBondContact CA-O 3.18Å; P240-E261 WeakPolarHBondContact CB-O 3.41Å; T241-E261 WeakPolarHBondContact CA-O 3.34Å; T241-E261 WeakPolarHBondContact CB-O 3.46Å; T241-E261 PolarHBondContact N-O 3.16Å; S242-E261 PolarHBondContact N-O 2.94Å; S242-E261 VanDerWaalsContact N-O 3.12Å; S242-E261 PolarHBondContact O-N 3.49Å; S242-E261 WeakPolarHBondContact OG-CB 3.26Å; S242-E261 PolarHBondContact OG-OE2 3.49Å
262	F	90.3	Very high	85.5	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.018	22%	0.224	C	C	.	.			trans	-106	167.9	-179.3	-67.4	-85.1	0	0	0	110.9	N213 I215 L233 L238 P240 T241 V260 E267 A268 W271	N213-F262 PolarHBondContact O-N 2.97Å; I215-F262 HydrophobicContact CD1-CE2 4.16Å; L233-F262 HydrophobicContact CD2-CE1 4.08Å; L233-F262 HydrophobicContact CD2-CZ 3.85Å; L238-F262 HydrophobicContact CB-CE1 4.34Å; P240-F262 HydrophobicContact CB-CE1 4.44Å; T241-F262 PolarHBondContact OG1-O 3.03Å; V260-F262 HydrophobicContact CB-CE2 4.34Å; V260-F262 HydrophobicContact CG1-CD2 4.35Å; V260-F262 HydrophobicContact CG1-CE2 3.59Å; V260-F262 HydrophobicContact CG1-CZ 3.7Å; F262-E267 HydrophobicContact CB-CB 3.81Å; F262-E267 HydrophobicContact CD1-CB 3.72Å; F262-E267 HydrophobicContact CG-CB 3.97Å; F262-A268 HydrophobicContact CB-CB 4.31Å; F262-A268 HydrophobicContact CD2-CB 3.67Å; F262-A268 HydrophobicContact CE2-CB 4.35Å; F262-A268 HydrophobicContact CG-CB 4.19Å; F262-W271 HydrophobicContact CE2-CD2 4.27Å; F262-W271 AromaticContact CE2-CE3 3.51Å; F262-W271 HydrophobicContact CE2-CE3 3.51Å; F262-W271 HydrophobicContact CE2-CZ3 4.03Å; F262-W271 HydrophobicContact CZ-CB 4.05Å; F262-W271 AromaticContact CZ-CD2 3.79Å; F262-W271 HydrophobicContact CZ-CD2 3.79Å; F262-W271 AromaticContact CZ-CE3 3.46Å; F262-W271 HydrophobicContact CZ-CE3 3.46Å; F262-W271 VanDerWaalsContact CZ-CE3 3.46Å; F262-W271 HydrophobicContact CZ-CG 4.07Å; F262-W271 HydrophobicContact CZ-CZ3 4.09Å
263	K	86.6	Confident	86.4	Confident	108 Å²	108	46.9 Å²	46.9	47%	0.47	23%	0.231	S	C	.	.	S	Bend	trans	-77	-37.1	179.2	-56.1	164.6	-168.1	161.9	0	109.3	N213 E239 T241 E267	N213-K263 PolarHBondContact ND2-O 3.41Å; N213-K263 VanDerWaalsContact ND2-O 3.11Å; E239-K263 IonicContact OE2-NZ 2.64Å; E239-K263 PolarHBondContact OE2-NZ 3.06Å; T241-K263 WeakPolarHBondContact OG1-CA 3.37Å; T241-K263 VanDerWaalsContact OG1-CG 3.26Å; T241-K263 WeakPolarHBondContact OG1-CG 3.33Å; T241-K263 PolarHBondContact OG1-N 3.08Å; T241-K263 VanDerWaalsContact OG1-N 3.13Å; K263-E267 WeakPolarHBondContact CA-OE2 3.36Å; K263-E267 VanDerWaalsContact CB-OE2 3.3Å; K263-E267 WeakPolarHBondContact CB-OE2 3.37Å; K263-E267 PolarHBondContact N-OE2 3.44Å
264	T	87.2	Confident	87.2	Confident	54 Å²	54	50.1 Å²	50.1	33%	0.331	24%	0.242	S	C	.	.	S	Bend	trans	-119.7	164.2	178	70.3	0	0	0	0	112.9	E266 E267	T264-E266 VanDerWaalsContact C-N 3.27Å; T264-E266 PolarHBondContact OG1-N 3.33Å; T264-E267 PolarHBondContact N-OE2 2.89Å; T264-E267 WeakPolarHBondContact OG1-CG 3.47Å; T264-E267 PolarHBondContact OG1-N 3Å
265	V	88.5	Confident	87.6	Confident	52 Å²	52	50.9 Å²	50.9	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-38.2	165.3	178	0	0	0	0	110.3	P211 N213 E267 A268 T269	P211-V265 HydrophobicContact CB-CG1 3.69Å; P211-V265 HydrophobicContact CG-CG1 3.9Å; P211-V265 VanDerWaalsContact O-CG1 3.25Å; P211-V265 WeakPolarHBondContact O-CG1 3.41Å; N213-V265 WeakPolarHBondContact OD1-CG2 3.36Å; V265-E267 PolarHBondContact O-N 2.89Å; V265-A268 WeakPolarHBondContact O-CB 3.35Å; V265-A268 PolarHBondContact O-N 2.83Å; V265-A268 VanDerWaalsContact O-N 3.13Å; V265-T269 HydrophobicContact CG1-CG2 4.04Å; V265-T269 WeakPolarHBondContact O-CG2 3.41Å; V265-T269 PolarHBondContact O-N 3.42Å
266	E	88.9	Confident	87.9	Confident	149 Å²	149	56.4 Å²	56.4	70%	0.696	28%	0.275	S	S	*	.	H	α-helix	trans	-65.7	-36.3	-174.8	-59.6	176.7	-174.8	0	0	113.3	T264 A268 T269 R270	T264-E266 VanDerWaalsContact C-N 3.27Å; T264-E266 PolarHBondContact OG1-N 3.33Å; E266-A268 VanDerWaalsContact C-N 3.35Å; E266-T269 WeakPolarHBondContact CA-OG1 3.45Å; E266-T269 PolarHBondContact O-OG1 2.86Å; E266-T269 VanDerWaalsContact O-OG1 3.04Å; E266-R270 WeakPolarHBondContact O-CB 3.31Å; E266-R270 PolarHBondContact O-N 3.3Å
267	E	89.5	Confident	87.7	Confident	45 Å²	45	54.9 Å²	54.9	21%	0.21	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-41.7	172.2	-74	164.6	169.5	0	0	111.1	F262 K263 T264 V265 W271	F262-E267 HydrophobicContact CB-CB 3.81Å; F262-E267 HydrophobicContact CD1-CB 3.72Å; F262-E267 HydrophobicContact CG-CB 3.97Å; K263-E267 WeakPolarHBondContact CA-OE2 3.36Å; K263-E267 VanDerWaalsContact CB-OE2 3.3Å; K263-E267 WeakPolarHBondContact CB-OE2 3.37Å; K263-E267 PolarHBondContact N-OE2 3.44Å; T264-E267 PolarHBondContact N-OE2 2.89Å; T264-E267 WeakPolarHBondContact OG1-CG 3.47Å; T264-E267 PolarHBondContact OG1-N 3Å; V265-E267 PolarHBondContact O-N 2.89Å; E267-W271 PolarHBondContact O-N 2.89Å
268	A	89	Confident	87.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-43.5	177.8	0	0	0	0	0	112	L212 I215 F262 V265 E266 W271 M272	L212-A268 WeakPolarHBondContact O-CB 3.47Å; I215-A268 HydrophobicContact CD1-CB 3.76Å; I215-A268 VanDerWaalsContact CD1-O 3.28Å; I215-A268 WeakPolarHBondContact CD1-O 3.44Å; I215-A268 HydrophobicContact CG1-CB 4.34Å; F262-A268 HydrophobicContact CB-CB 4.31Å; F262-A268 HydrophobicContact CD2-CB 3.67Å; F262-A268 HydrophobicContact CE2-CB 4.35Å; F262-A268 HydrophobicContact CG-CB 4.19Å; V265-A268 WeakPolarHBondContact O-CB 3.35Å; V265-A268 PolarHBondContact O-N 2.83Å; V265-A268 VanDerWaalsContact O-N 3.13Å; E266-A268 VanDerWaalsContact C-N 3.35Å; A268-W271 PolarHBondContact O-N 2.84Å; A268-M272 WeakPolarHBondContact O-CB 3.48Å; A268-M272 PolarHBondContact O-N 2.87Å
269	T	89.2	Confident	87.5	Confident	28 Å²	28	58.1 Å²	58.1	17%	0.172	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-46.3	175.3	58.9	0	0	0	0	111.1	P211 V265 E266 W271 M272 E273 Y290	P211-T269 HydrophobicContact CB-CG2 3.46Å; P211-T269 VanDerWaalsContact CB-CG2 3.46Å; P211-T269 HydrophobicContact CG-CG2 4.24Å; V265-T269 HydrophobicContact CG1-CG2 4.04Å; V265-T269 WeakPolarHBondContact O-CG2 3.41Å; V265-T269 PolarHBondContact O-N 3.42Å; E266-T269 WeakPolarHBondContact CA-OG1 3.45Å; E266-T269 PolarHBondContact O-OG1 2.86Å; E266-T269 VanDerWaalsContact O-OG1 3.04Å; T269-W271 VanDerWaalsContact C-N 3.27Å; T269-W271 PolarHBondContact O-N 2.89Å; T269-M272 WeakPolarHBondContact O-CB 3.32Å; T269-M272 PolarHBondContact O-N 3.25Å; T269-M272 VanDerWaalsContact O-N 3.08Å; T269-E273 WeakPolarHBondContact O-CB 3.49Å; T269-E273 VanDerWaalsContact O-CG 3.3Å; T269-E273 WeakPolarHBondContact O-CG 3.44Å; T269-E273 PolarHBondContact O-N 3.31Å; T269-Y290 WeakPolarHBondContact CA-OH 3.35Å; T269-Y290 HydrophobicContact CG2-CE1 4.42Å; T269-Y290 WeakPolarHBondContact CG2-OH 3.4Å
270	R	89.3	Confident	87.3	Confident	132 Å²	132	62 Å²	62	50%	0.498	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-39.2	177.3	-171.9	171.8	-175	-121.3	-2.4	111.8	E266 L274	E266-R270 WeakPolarHBondContact O-CB 3.31Å; E266-R270 PolarHBondContact O-N 3.3Å; R270-L274 HydrophobicContact CG-CD1 3.91Å; R270-L274 WeakPolarHBondContact O-CB 3.41Å; R270-L274 WeakPolarHBondContact O-CD1 3.23Å; R270-L274 WeakPolarHBondContact O-CG 3.32Å; R270-L274 PolarHBondContact O-N 2.94Å
271	W	89.6	Confident	86.7	Confident	1 Å²	1	63 Å²	63	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-43	174.1	-166.6	42.6	0	0	0	113.1	I215 L217 L233 L238 V260 F262 E267 A268 T269 E273 T275 L279 M288	I215-W271 HydrophobicContact CB-CE3 4.48Å; I215-W271 HydrophobicContact CB-CZ3 4.27Å; I215-W271 HydrophobicContact CD1-CE3 3.88Å; I215-W271 HydrophobicContact CG2-CE3 4.21Å; I215-W271 HydrophobicContact CG2-CZ3 3.85Å; L217-W271 HydrophobicContact CD1-CH2 4.18Å; L217-W271 HydrophobicContact CD2-CH2 3.74Å; L217-W271 HydrophobicContact CD2-CZ3 4.15Å; L217-W271 HydrophobicContact CG-CH2 4.31Å; L233-W271 HydrophobicContact CD1-CZ2 4.45Å; L233-W271 HydrophobicContact CD2-CD2 3.82Å; L233-W271 VanDerWaalsContact CD2-CE2 3.41Å; L233-W271 HydrophobicContact CD2-CE3 4.46Å; L233-W271 HydrophobicContact CD2-CG 4.12Å; L233-W271 HydrophobicContact CD2-CH2 4.31Å; L233-W271 HydrophobicContact CD2-CZ2 3.7Å; L233-W271 HydrophobicContact CG-CZ2 4.02Å; L238-W271 HydrophobicContact CD1-CB 3.68Å; L238-W271 HydrophobicContact CD1-CG 4.05Å; V260-W271 HydrophobicContact CB-CH2 4.19Å; V260-W271 HydrophobicContact CB-CZ3 3.8Å; V260-W271 HydrophobicContact CG1-CH2 4.23Å; V260-W271 HydrophobicContact CG1-CZ3 3.89Å; V260-W271 HydrophobicContact CG2-CH2 3.85Å; V260-W271 HydrophobicContact CG2-CZ3 3.96Å; F262-W271 HydrophobicContact CE2-CD2 4.27Å; F262-W271 AromaticContact CE2-CE3 3.51Å; F262-W271 HydrophobicContact CE2-CE3 3.51Å; F262-W271 HydrophobicContact CE2-CZ3 4.03Å; F262-W271 HydrophobicContact CZ-CB 4.05Å; F262-W271 AromaticContact CZ-CD2 3.79Å; F262-W271 HydrophobicContact CZ-CD2 3.79Å; F262-W271 AromaticContact CZ-CE3 3.46Å; F262-W271 HydrophobicContact CZ-CE3 3.46Å; F262-W271 VanDerWaalsContact CZ-CE3 3.46Å; F262-W271 HydrophobicContact CZ-CG 4.07Å; F262-W271 HydrophobicContact CZ-CZ3 4.09Å; E267-W271 PolarHBondContact O-N 2.89Å; A268-W271 PolarHBondContact O-N 2.84Å; T269-W271 VanDerWaalsContact C-N 3.27Å; T269-W271 PolarHBondContact O-N 2.89Å; W271-E273 VanDerWaalsContact C-N 3.32Å; W271-E273 PolarHBondContact O-N 2.92Å; W271-T275 WeakPolarHBondContact O-CB 3.31Å; W271-T275 WeakPolarHBondContact O-CG2 3.47Å; W271-T275 PolarHBondContact O-N 3.43Å; W271-T275 VanDerWaalsContact O-N 3.08Å; W271-T275 PolarHBondContact O-OG1 2.9Å; W271-L279 HydrophobicContact CH2-CD2 4.43Å; W271-L279 HydrophobicContact CZ2-CD1 4.11Å; W271-L279 HydrophobicContact CZ2-CD2 4.01Å; W271-M288 HydrophobicContact CD2-CE 3.47Å; W271-M288 VanDerWaalsContact CD2-CE 3.47Å; W271-M288 HydrophobicContact CE3-CE 3.35Å; W271-M288 HydrophobicContact CG-CE 4.15Å; W271-M288 HydrophobicContact CH2-CE 4.02Å; W271-M288 HydrophobicContact CZ2-CE 4.08Å; W271-M288 HydrophobicContact CZ3-CE 3.65Å
272	M	88	Confident	86.1	Confident	23 Å²	23	62.3 Å²	62.3	11%	0.113	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-38.8	177.5	-167.2	69.5	73.1	0	0	112.1	I215 A268 T269 T275 Q276 G277 M288 Y290	I215-M272 HydrophobicContact CD1-CB 4.5Å; I215-M272 HydrophobicContact CD1-CE 3.7Å; I215-M272 HydrophobicContact CG1-CE 3.75Å; I215-M272 HydrophobicContact CG2-CE 4Å; A268-M272 WeakPolarHBondContact O-CB 3.48Å; A268-M272 PolarHBondContact O-N 2.87Å; T269-M272 WeakPolarHBondContact O-CB 3.32Å; T269-M272 PolarHBondContact O-N 3.25Å; T269-M272 VanDerWaalsContact O-N 3.08Å; M272-T275 PolarHBondContact O-OG1 3.23Å; M272-Q276 WeakPolarHBondContact O-CA 3.32Å; M272-Q276 PolarHBondContact O-N 2.79Å; M272-G277 PolarHBondContact O-N 3.23Å; M272-G277 VanDerWaalsContact O-N 3.1Å; M272-M288 HydrophobicContact CE-CB 4.34Å; M272-M288 HydrophobicContact SD-CB 3.84Å; M272-M288 HydrophobicContact SD-CE 4.31Å; M272-Y290 HydrophobicContact CB-CE1 4.26Å; M272-Y290 WeakPolarHBondContact CB-OH 3.35Å; M272-Y290 HydrophobicContact CE-CD1 3.86Å; M272-Y290 HydrophobicContact CE-CD2 4.22Å; M272-Y290 HydrophobicContact CE-CE1 3.88Å; M272-Y290 HydrophobicContact CE-CE2 4.25Å; M272-Y290 HydrophobicContact CE-CG 4.02Å; M272-Y290 HydrophobicContact CG-CE1 4.45Å; M272-Y290 HydrophobicContact CG-CE2 4.22Å
273	E	87.9	Confident	85.5	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.621	36%	0.358	S	S	*	.	H	α-helix	trans	-69.3	-49.6	177.3	-73.6	166.6	-168.7	0	0	111.7	T269 W271 T275 Q276	T269-E273 WeakPolarHBondContact O-CB 3.49Å; T269-E273 VanDerWaalsContact O-CG 3.3Å; T269-E273 WeakPolarHBondContact O-CG 3.44Å; T269-E273 PolarHBondContact O-N 3.31Å; W271-E273 VanDerWaalsContact C-N 3.32Å; W271-E273 PolarHBondContact O-N 2.92Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 PolarHBondContact O-N 3.39Å; E273-Q276 PolarHBondContact O-N 2.68Å; E273-Q276 VanDerWaalsContact O-N 3.12Å
274	L	87.1	Confident	85.2	Confident	107 Å²	107	67.5 Å²	67.5	56%	0.56	35%	0.351	S	S	*	.	H	α-helix	trans	-63.8	-29.9	-179.9	-72.5	167.8	0	0	0	113	V236 R270	V236-L274 HydrophobicContact CG1-CD1 3.56Å; R270-L274 HydrophobicContact CG-CD1 3.91Å; R270-L274 WeakPolarHBondContact O-CB 3.41Å; R270-L274 WeakPolarHBondContact O-CD1 3.23Å; R270-L274 WeakPolarHBondContact O-CG 3.32Å; R270-L274 PolarHBondContact O-N 2.94Å
275	T	84.6	Confident	85.1	Confident	25 Å²	25	74.2 Å²	74.2	15%	0.153	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.4	175.9	56.8	0	0	0	0	113.8	W271 M272 E273 G277 V278 L279 M288	W271-T275 WeakPolarHBondContact O-CB 3.31Å; W271-T275 WeakPolarHBondContact O-CG2 3.47Å; W271-T275 PolarHBondContact O-N 3.43Å; W271-T275 VanDerWaalsContact O-N 3.08Å; W271-T275 PolarHBondContact O-OG1 2.9Å; M272-T275 PolarHBondContact O-OG1 3.23Å; E273-T275 VanDerWaalsContact C-N 3.26Å; E273-T275 PolarHBondContact O-N 3.39Å; T275-G277 PolarHBondContact O-N 3.01Å; T275-G277 VanDerWaalsContact O-N 3.14Å; T275-V278 PolarHBondContact O-N 2.92Å; T275-L279 HydrophobicContact CG2-CD1 4.27Å; T275-M288 VanDerWaalsContact CB-SD 3.54Å; T275-M288 HydrophobicContact CG2-CE 4.2Å; T275-M288 HydrophobicContact CG2-SD 3.76Å; T275-M288 VanDerWaalsContact OG1-CE 3.28Å; T275-M288 WeakPolarHBondContact OG1-CE 3.42Å; T275-M288 PolarHBondContact OG1-SD 3.11Å
276	Q	82.1	Confident	85.1	Confident	177 Å²	177	71.9 Å²	71.9	83%	0.827	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	34.2	-171.7	-56.8	-175.6	-7.6	0	0	113.3	M272 E273 V278	M272-Q276 WeakPolarHBondContact O-CA 3.32Å; M272-Q276 PolarHBondContact O-N 2.79Å; E273-Q276 PolarHBondContact O-N 2.68Å; E273-Q276 VanDerWaalsContact O-N 3.12Å; Q276-V278 VanDerWaalsContact C-N 3.33Å; Q276-V278 PolarHBondContact O-N 2.98Å
277	G	78.6	Confident	85.1	Confident	16 Å²	16	68.5 Å²	68.5	17%	0.165	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	10.9	-176.5	0	0	0	0	0	115.7	M272 T275 M288	M272-G277 PolarHBondContact O-N 3.23Å; M272-G277 VanDerWaalsContact O-N 3.1Å; T275-G277 PolarHBondContact O-N 3.01Å; T275-G277 VanDerWaalsContact O-N 3.14Å; G277-M288 PolarHBondContact O-N 3.08Å
278	V	85.8	Confident	85	Confident	62 Å²	62	67.1 Å²	67.1	38%	0.376	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	105.5	178.5	-174.3	0	0	0	0	111.4	T275 Q276 R285 V286	T275-V278 PolarHBondContact O-N 2.92Å; Q276-V278 VanDerWaalsContact C-N 3.33Å; Q276-V278 PolarHBondContact O-N 2.98Å; V278-R285 HydrophobicContact CG1-CB 3.91Å; V278-R285 HydrophobicContact CG1-CG 4.27Å; V278-V286 CarbonylContact C-O 3.58Å; V278-V286 WeakPolarHBondContact CA-O 3.49Å
279	L	85.5	Confident	84.9	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.052	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.3	170.5	-172.2	65.3	0	0	0	109.8	L217 E232 W271 T275 L281 V286 M288	L217-L279 HydrophobicContact CD1-CD2 4.07Å; L217-L279 HydrophobicContact CD2-CD2 4.29Å; E232-L279 HydrophobicContact CB-CD1 4Å; E232-L279 HydrophobicContact CG-CD1 4.35Å; W271-L279 HydrophobicContact CH2-CD2 4.43Å; W271-L279 HydrophobicContact CZ2-CD1 4.11Å; W271-L279 HydrophobicContact CZ2-CD2 4.01Å; T275-L279 HydrophobicContact CG2-CD1 4.27Å; L279-L281 HydrophobicContact CD2-CD1 3.68Å; L279-L281 HydrophobicContact CD2-CG 4.01Å; L279-L281 HydrophobicContact CG-CD1 4.33Å; L279-L281 HydrophobicContact CG-CG 4.24Å; L279-V286 HydrophobicContact CB-CB 4.26Å; L279-V286 PolarHBondContact N-O 2.85Å; L279-V286 PolarHBondContact O-N 3.29Å; L279-M288 HydrophobicContact CB-CG 4.13Å; L279-M288 HydrophobicContact CB-SD 3.7Å
280	Q	84	Confident	84.7	Confident	112 Å²	112	70.7 Å²	70.7	52%	0.523	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	104.3	172.1	-177.6	165.7	-25.4	0	0	110.5	G282 H284	Q280-G282 WeakPolarHBondContact CG-O 3.25Å; Q280-G282 PolarHBondContact NE2-O 3.11Å; Q280-H284 WeakPolarHBondContact CA-O 3.38Å
281	L	79.5	Confident	84	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	91.7	175.8	-84.2	157.3	0	0	0	108.8	L220 V224 D228 I229 E232 L279 D283 H284 V286	L220-L281 HydrophobicContact CD2-CD1 3.78Å; V224-L281 HydrophobicContact CG1-CD1 4.18Å; D228-L281 HydrophobicContact CB-CD2 4.13Å; I229-L281 HydrophobicContact CG1-CD1 4.33Å; E232-L281 HydrophobicContact CG-CD2 3.51Å; E232-L281 HydrophobicContact CG-CG 4.1Å; L279-L281 HydrophobicContact CD2-CD1 3.68Å; L279-L281 HydrophobicContact CD2-CG 4.01Å; L279-L281 HydrophobicContact CG-CD1 4.33Å; L279-L281 HydrophobicContact CG-CG 4.24Å; L281-D283 PolarHBondContact O-N 2.95Å; L281-H284 PolarHBondContact N-O 2.83Å; L281-H284 PolarHBondContact O-N 3.03Å; L281-H284 VanDerWaalsContact O-N 3.13Å; L281-V286 HydrophobicContact CD1-CG2 4.13Å
282	G	77.4	Confident	82.7	Confident	50 Å²	50	68.6 Å²	68.6	52%	0.515	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-123.4	-172.9	0	0	0	0	0	112	Q280 H284	Q280-G282 WeakPolarHBondContact CG-O 3.25Å; Q280-G282 PolarHBondContact NE2-O 3.11Å; G282-H284 PolarHBondContact O-N 2.98Å
283	D	76.6	Confident	81.1	Confident	152 Å²	152	71.6 Å²	71.6	81%	0.813	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.8	178.2	-61.3	-30.9	0	0	0	113.9	L281	L281-D283 PolarHBondContact O-N 2.95Å
284	H	81.3	Confident	79.4	Confident	69 Å²	69	75.1 Å²	75.1	32%	0.319	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.6	-167.9	-66.8	-70.1	0	0	0	114.2	K221 Q280 L281 G282	K221-H284 WeakPolarHBondContact CE-CD2 3.46Å; K221-H284 VanDerWaalsContact CE-CE1 3.49Å; K221-H284 WeakPolarHBondContact CE-CE1 3.47Å; K221-H284 WeakPolarHBondContact CE-NE2 3.47Å; K221-H284 PolarHBondContact NZ-CD2 2.71Å; K221-H284 PolarHBondContact NZ-NE2 3.03Å; Q280-H284 WeakPolarHBondContact CA-O 3.38Å; L281-H284 PolarHBondContact N-O 2.83Å; L281-H284 PolarHBondContact O-N 3.03Å; L281-H284 VanDerWaalsContact O-N 3.13Å; G282-H284 PolarHBondContact O-N 2.98Å
285	R	85.6	Confident	77.8	Confident	195 Å²	195	74.5 Å²	74.5	74%	0.736	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.5	173.5	-63.7	-177.9	178.6	-153.8	-5	109.7	V278	V278-R285 HydrophobicContact CG1-CB 3.91Å; V278-R285 HydrophobicContact CG1-CG 4.27Å
286	V	87.3	Confident	76.6	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.012	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.7	-174.3	170.8	0	0	0	0	106.6	L217 F218 L220 V278 L279 L281	L217-V286 HydrophobicContact CB-CG1 3.9Å; L217-V286 HydrophobicContact CD2-CG1 4.32Å; F218-V286 CarbonylContact O-C 3.53Å; F218-V286 WeakPolarHBondContact O-CA 3.31Å; F218-V286 WeakPolarHBondContact O-CG1 3.45Å; L220-V286 HydrophobicContact CD2-CB 4.34Å; L220-V286 HydrophobicContact CD2-CG1 3.53Å; L220-V286 HydrophobicContact CD2-CG2 3.87Å; L220-V286 HydrophobicContact CG-CG1 4.3Å; V278-V286 CarbonylContact C-O 3.58Å; V278-V286 WeakPolarHBondContact CA-O 3.49Å; L279-V286 HydrophobicContact CB-CB 4.26Å; L279-V286 PolarHBondContact N-O 2.85Å; L279-V286 PolarHBondContact O-N 3.29Å; L281-V286 HydrophobicContact CD1-CG2 4.13Å
287	T	88.5	Confident	76.3	Confident	79 Å²	79	72.4 Å²	72.4	49%	0.485	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.3	-176.5	48.8	0	0	0	0	110.3	F218	F218-T287 PolarHBondContact N-O 2.83Å; F218-T287 PolarHBondContact O-N 3.21Å; F218-T287 PolarHBondContact O-OG1 3.38Å
288	M	88.5	Confident	76.4	Confident	16 Å²	16	72.4 Å²	72.4	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.4	-178.2	-53.2	174.4	45.2	0	0	109.9	I215 I216 L217 W271 M272 T275 G277 L279	I215-M288 HydrophobicContact CG2-CB 4.27Å; I215-M288 HydrophobicContact CG2-CE 4.18Å; I216-M288 WeakPolarHBondContact O-CA 3.45Å; L217-M288 HydrophobicContact CD2-CB 4.37Å; L217-M288 HydrophobicContact CD2-CG 3.6Å; L217-M288 HydrophobicContact CD2-SD 4.37Å; W271-M288 HydrophobicContact CD2-CE 3.47Å; W271-M288 VanDerWaalsContact CD2-CE 3.47Å; W271-M288 HydrophobicContact CE3-CE 3.35Å; W271-M288 HydrophobicContact CG-CE 4.15Å; W271-M288 HydrophobicContact CH2-CE 4.02Å; W271-M288 HydrophobicContact CZ2-CE 4.08Å; W271-M288 HydrophobicContact CZ3-CE 3.65Å; M272-M288 HydrophobicContact CE-CB 4.34Å; M272-M288 HydrophobicContact SD-CB 3.84Å; M272-M288 HydrophobicContact SD-CE 4.31Å; T275-M288 VanDerWaalsContact CB-SD 3.54Å; T275-M288 HydrophobicContact CG2-CE 4.2Å; T275-M288 HydrophobicContact CG2-SD 3.76Å; T275-M288 VanDerWaalsContact OG1-CE 3.28Å; T275-M288 WeakPolarHBondContact OG1-CE 3.42Å; T275-M288 PolarHBondContact OG1-SD 3.11Å; G277-M288 PolarHBondContact O-N 3.08Å; L279-M288 HydrophobicContact CB-CG 4.13Å; L279-M288 HydrophobicContact CB-SD 3.7Å
289	Q	85.5	Confident	76.2	Confident	65 Å²	65	72.4 Å²	72.4	30%	0.304	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143	174.7	-163.5	-172.9	-22	0	0	108.5	I215 I216 F218 S291 H292	I215-Q289 CarbonylContact C-O 3.59Å; I215-Q289 WeakPolarHBondContact CA-O 3.37Å; I216-Q289 PolarHBondContact N-O 3.41Å; I216-Q289 PolarHBondContact O-N 2.92Å; F218-Q289 HydrophobicContact CE2-CB 4.26Å; Q289-S291 PolarHBondContact O-N 2.95Å; Q289-H292 PolarHBondContact NE2-CE1 3.23Å; Q289-H292 PolarHBondContact NE2-NE2 3.05Å; Q289-H292 VanDerWaalsContact NE2-NE2 3.2Å
290	Y	85.2	Confident	76.1	Confident	38 Å²	38	72 Å²	72	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	138.5	164.2	-61.8	-65.7	0	0	0	108.3	P211 I215 T269 M272 H292	P211-Y290 HydrophobicContact CB-CE1 4.11Å; P211-Y290 HydrophobicContact CB-CE2 4.27Å; I215-Y290 HydrophobicContact CD1-CD1 4.26Å; I215-Y290 HydrophobicContact CD1-CE1 4.17Å; I215-Y290 HydrophobicContact CG1-CD1 3.87Å; I215-Y290 HydrophobicContact CG1-CE1 4.29Å; T269-Y290 WeakPolarHBondContact CA-OH 3.35Å; T269-Y290 HydrophobicContact CG2-CE1 4.42Å; T269-Y290 WeakPolarHBondContact CG2-OH 3.4Å; M272-Y290 HydrophobicContact CB-CE1 4.26Å; M272-Y290 WeakPolarHBondContact CB-OH 3.35Å; M272-Y290 HydrophobicContact CE-CD1 3.86Å; M272-Y290 HydrophobicContact CE-CD2 4.22Å; M272-Y290 HydrophobicContact CE-CE1 3.88Å; M272-Y290 HydrophobicContact CE-CE2 4.25Å; M272-Y290 HydrophobicContact CE-CG 4.02Å; M272-Y290 HydrophobicContact CG-CE1 4.45Å; M272-Y290 HydrophobicContact CG-CE2 4.22Å; Y290-H292 PolarHBondContact O-N 2.85Å
291	S	74.6	Confident	76	Confident	14 Å²	14	67.3 Å²	67.3	10%	0.098	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-58.1	141.4	169.7	59.6	0	0	0	0	109.1	L212 N214 Q289	L212-S291 WeakPolarHBondContact CD1-O 3.36Å; N214-S291 VanDerWaalsContact O-CB 3.26Å; N214-S291 WeakPolarHBondContact O-CB 3.31Å; N214-S291 PolarHBondContact O-N 2.91Å; N214-S291 PolarHBondContact O-OG 3.32Å; Q289-S291 PolarHBondContact O-N 2.95Å
292	H	63.1	Low	76	Confident	74 Å²	74	70.3 Å²	70.3	34%	0.343	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65.6	141	160.6	-62.5	-62	0	0	0	107.5	Q289 Y290 R294	Q289-H292 PolarHBondContact NE2-CE1 3.23Å; Q289-H292 PolarHBondContact NE2-NE2 3.05Å; Q289-H292 VanDerWaalsContact NE2-NE2 3.2Å; Y290-H292 PolarHBondContact O-N 2.85Å; H292-R294 PolarHBondContact O-N 3.31Å
293	T	53.6	Low	76.2	Confident	87 Å²	87	69.2 Å²	69.2	53%	0.534	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-48	120.7	166.7	46.5	0	0	0	0	107.4	L212 I295	L212-T293 HydrophobicContact CD1-CG2 3.66Å; L212-T293 HydrophobicContact CD2-CG2 4.16Å; T293-I295 WeakPolarHBondContact O-CA 3.47Å; T293-I295 PolarHBondContact O-N 2.94Å
294	R	53.5	Low	76.2	Confident	207 Å²	207	62.6 Å²	62.6	78%	0.781	31%	0.309	S	S	*	.			trans	-55.5	105.3	-175.7	-64.7	-178	-168.6	158.2	9.3	106.6	H292 S296	H292-R294 PolarHBondContact O-N 3.31Å; R294-S296 WeakPolarHBondContact O-CA 3.48Å; R294-S296 PolarHBondContact O-N 3.47Å
295	I	52.9	Low	76.2	Confident	93 Å²	93	59.3 Å²	59.3	48%	0.477	29%	0.294	S	S	.	.			trans	-59.2	115.1	-162.3	-44.8	95.7	0	0	0	108.4	T293 K309	T293-I295 WeakPolarHBondContact O-CA 3.47Å; T293-I295 PolarHBondContact O-N 2.94Å; I295-K309 HydrophobicContact CB-CD 3.91Å; I295-K309 VanDerWaalsContact CB-NZ 3.31Å; I295-K309 HydrophobicContact CG2-CD 4.03Å; I295-K309 WeakPolarHBondContact O-CD 3.36Å
296	S	59.9	Low	76.1	Confident	85 Å²	85	53 Å²	53	59%	0.594	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-67.3	146.3	-140.1	38.3	0	0	0	0	114.1	R294 W298	R294-S296 WeakPolarHBondContact O-CA 3.48Å; R294-S296 PolarHBondContact O-N 3.47Å; S296-W298 PolarHBondContact O-N 2.85Å
297	D	75.5	Confident	75.9	Confident	73 Å²	73	53 Å²	53	39%	0.39	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-67.7	125.4	161.5	-69.4	-17.6	0	0	0	107.2	N307 F308 K309	D297-N307 CarbonylContact C-O 3.56Å; D297-N307 WeakPolarHBondContact CA-O 3.39Å; D297-N307 WeakPolarHBondContact CB-O 3.28Å; D297-F308 WeakPolarHBondContact OD1-CA 3.5Å; D297-F308 WeakPolarHBondContact OD2-CD1 3.16Å; D297-K309 PolarHBondContact OD1-N 3.46Å
298	W	80.6	Confident	75.6	Confident	16 Å²	16	55.3 Å²	55.3	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.4	-165	61.7	-87.7	0	0	0	110.7	S296 C300 N307 R311 C314 R321 S324	S296-W298 PolarHBondContact O-N 2.85Å; W298-C300 HydrophobicContact CZ3-CB 4.22Å; W298-N307 HydrophobicContact CD2-CB 3.87Å; W298-N307 HydrophobicContact CE3-CB 4.45Å; W298-N307 HydrophobicContact CG-CB 4.22Å; W298-N307 HydrophobicContact CH2-CB 4.47Å; W298-N307 HydrophobicContact CZ2-CB 3.87Å; W298-N307 PolarHBondContact N-O 2.85Å; W298-N307 VanDerWaalsContact O-CB 3.3Å; W298-N307 WeakPolarHBondContact O-CB 3.35Å; W298-N307 PolarHBondContact O-N 2.96Å; W298-N307 PolarHBondContact O-ND2 3.5Å; W298-R311 PolarHBondContact NE1-O 2.83Å; W298-C314 HydrophobicContact CH2-CB 3.78Å; W298-C314 HydrophobicContact CZ3-CB 4.25Å; W298-R321 HydrophobicContact CD2-CB 4.2Å; W298-R321 HydrophobicContact CD2-CG 3.91Å; W298-R321 HydrophobicContact CG-CG 4.07Å; W298-R321 HydrophobicContact CH2-CB 4.11Å; W298-R321 HydrophobicContact CZ2-CB 3.7Å; W298-R321 HydrophobicContact CZ2-CG 4.27Å; W298-S324 WeakPolarHBondContact CZ3-OG 3.35Å
299	T	82	Confident	75.2	Confident	63 Å²	63	58.4 Å²	58.4	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.6	176.5	44	0	0	0	0	110.4	I301 A305	T299-I301 PolarHBondContact O-N 3.01Å; T299-A305 WeakPolarHBondContact CA-O 3.37Å
300	C	83.3	Confident	75	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-69.2	116.1	171.9	164.9	0	0	0	0	108.9	W298 K302 C303 G304 A305 N307 C314 C317	W298-C300 HydrophobicContact CZ3-CB 4.22Å; C300-K302 PolarHBondContact O-N 2.79Å; C300-K302 PolarHBondContact SG-N 2.69Å; C300-C303 PolarHBondContact O-N 2.63Å; C300-G304 PolarHBondContact O-N 3.33Å; C300-A305 PolarHBondContact N-O 2.9Å; C300-N307 PolarHBondContact N-ND2 2.92Å; C300-C314 HydrophobicContact CB-CB 3.71Å; C300-C314 WeakPolarHBondContact CB-SG 3.46Å; C300-C317 HydrophobicContact CB-CB 4.48Å; C300-C317 WeakPolarHBondContact CB-SG 3.43Å; C300-C317 WeakPolarHBondContact SG-CB 3.37Å; C300-C317 CovalentContact SG-SG 2.05Å; C300-C317 PolarHBondContact SG-SG 2.84Å
301	I	81.7	Confident	74.9	Confident	14 Å²	14	66 Å²	66	7%	0.072	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.3	179.8	-169.9	166.4	0	0	0	113.1	T299 S324 A327 A331 V335 R349	T299-I301 PolarHBondContact O-N 3.01Å; I301-S324 PolarHBondContact N-OG 3.04Å; I301-A327 HydrophobicContact CD1-CB 3.2Å; I301-A331 HydrophobicContact CD1-CB 4.11Å; I301-A331 WeakPolarHBondContact CD1-O 3.47Å; I301-V335 HydrophobicContact CG1-CG2 3.99Å; I301-R349 VanDerWaalsContact O-CZ 3.29Å; I301-R349 PolarHBondContact O-NH1 3.19Å; I301-R349 PolarHBondContact O-NH2 3.4Å
302	K	79.2	Confident	75.5	Confident	85 Å²	85	73.3 Å²	73.3	37%	0.37	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.3	179.3	-49.5	-166.7	-171.3	175.5	0	114.3	C300 C317 A319 E323 T427	C300-K302 PolarHBondContact O-N 2.79Å; C300-K302 PolarHBondContact SG-N 2.69Å; K302-C317 HydrophobicContact CB-CB 4.34Å; K302-A319 HydrophobicContact CD-CB 3.82Å; K302-A319 HydrophobicContact CG-CB 4.14Å; K302-E323 WeakPolarHBondContact CE-OE2 3.39Å; K302-E323 IonicContact NZ-OE2 3.06Å; K302-E323 PolarHBondContact NZ-OE2 2.88Å; K302-T427 WeakPolarHBondContact O-CG2 3.35Å
303	C	80.8	Confident	76.8	Confident	26 Å²	26	75.8 Å²	75.8	18%	0.176	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	6.7	-173.4	73.7	0	0	0	0	116.6	C300 A305 C317	C300-C303 PolarHBondContact O-N 2.63Å; C303-A305 PolarHBondContact O-N 2.7Å; C303-A305 VanDerWaalsContact SG-CB 3.53Å; C303-C317 HydrophobicContact CB-CB 4.11Å; C303-C317 VanDerWaalsContact SG-CB 3.56Å
304	G	78.1	Confident	78.4	Confident	13 Å²	13	71.7 Å²	71.7	13%	0.134	34%	0.339	C	S	.	.			trans	71.3	-14.7	-179.8	0	0	0	0	0	115.6	C300 S306	C300-G304 PolarHBondContact O-N 3.33Å; G304-S306 PolarHBondContact O-N 2.82Å
305	A	80.9	Confident	80.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.324	C	S	.	.			trans	-61.1	123.9	-175	0	0	0	0	0	112.7	T299 C300 C303 N307 Y315 M316	T299-A305 WeakPolarHBondContact CA-O 3.37Å; C300-A305 PolarHBondContact N-O 2.9Å; C303-A305 PolarHBondContact O-N 2.7Å; C303-A305 VanDerWaalsContact SG-CB 3.53Å; A305-N307 PolarHBondContact O-ND2 3.21Å; A305-Y315 HydrophobicContact CB-CE1 4.03Å; A305-M316 HydrophobicContact CB-CB 4.28Å; A305-M316 HydrophobicContact CB-CG 4.09Å; A305-M316 HydrophobicContact CB-SD 3.48Å; A305-M316 WeakPolarHBondContact CB-SD 3.45Å
306	S	82.5	Confident	81.5	Confident	64 Å²	64	67.5 Å²	67.5	45%	0.448	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.7	176.3	-179.3	0	0	0	0	112	G304 Y315	G304-S306 PolarHBondContact O-N 2.82Å; S306-Y315 WeakPolarHBondContact O-CE1 3.36Å
307	N	83.5	Confident	82.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.6	-173.3	-56	-79.1	0	0	0	111.3	D297 W298 C300 A305 K309 C314 Y315	D297-N307 CarbonylContact C-O 3.56Å; D297-N307 WeakPolarHBondContact CA-O 3.39Å; D297-N307 WeakPolarHBondContact CB-O 3.28Å; W298-N307 HydrophobicContact CD2-CB 3.87Å; W298-N307 HydrophobicContact CE3-CB 4.45Å; W298-N307 HydrophobicContact CG-CB 4.22Å; W298-N307 HydrophobicContact CH2-CB 4.47Å; W298-N307 HydrophobicContact CZ2-CB 3.87Å; W298-N307 PolarHBondContact N-O 2.85Å; W298-N307 VanDerWaalsContact O-CB 3.3Å; W298-N307 WeakPolarHBondContact O-CB 3.35Å; W298-N307 PolarHBondContact O-N 2.96Å; W298-N307 PolarHBondContact O-ND2 3.5Å; C300-N307 PolarHBondContact N-ND2 2.92Å; A305-N307 PolarHBondContact O-ND2 3.21Å; N307-K309 PolarHBondContact O-N 3.4Å; N307-C314 WeakPolarHBondContact OD1-CA 3.16Å; N307-C314 PolarHBondContact OD1-SG 3.13Å; N307-Y315 VanDerWaalsContact OD1-CD1 3.28Å; N307-Y315 WeakPolarHBondContact OD1-CD1 3.41Å; N307-Y315 PolarHBondContact OD1-N 3.15Å; N307-Y315 VanDerWaalsContact OD1-N 3.08Å
308	F	82.5	Confident	83.1	Confident	128 Å²	128	67.2 Å²	67.2	56%	0.561	32%	0.318	S	S	*	.			trans	-42.7	129.4	173	-62.9	-56	0	0	0	112.5	D297 R310 R311	D297-F308 WeakPolarHBondContact OD1-CA 3.5Å; D297-F308 WeakPolarHBondContact OD2-CD1 3.16Å; F308-R310 PolarHBondContact O-N 2.69Å; F308-R311 WeakPolarHBondContact O-CB 3.45Å; F308-R311 PolarHBondContact O-N 3.04Å
309	K	79.7	Confident	83.3	Confident	82 Å²	82	66.8 Å²	66.8	36%	0.357	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-33.8	-177.6	-174.7	-170.9	-179.5	178.2	0	114.1	I295 D297 N307 R311 R321	I295-K309 HydrophobicContact CB-CD 3.91Å; I295-K309 VanDerWaalsContact CB-NZ 3.31Å; I295-K309 HydrophobicContact CG2-CD 4.03Å; I295-K309 WeakPolarHBondContact O-CD 3.36Å; D297-K309 PolarHBondContact OD1-N 3.46Å; N307-K309 PolarHBondContact O-N 3.4Å; K309-R311 VanDerWaalsContact C-N 3.26Å; K309-R311 PolarHBondContact O-N 2.68Å; K309-R321 PolarHBondContact O-NH1 2.98Å
310	R	81.9	Confident	83.5	Confident	164 Å²	164	65.3 Å²	65.3	62%	0.619	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.2	178.6	-62.5	-176.8	-179.6	-173.1	-2.1	114.6	F308	F308-R310 PolarHBondContact O-N 2.69Å
311	R	83.4	Confident	83.6	Confident	98 Å²	98	67.3 Å²	67.3	37%	0.37	32%	0.317	S	S	.	.			trans	-84.8	132.9	177.3	-72.7	-178.8	165	151	-6.4	110.8	W298 F308 K309 Q313	W298-R311 PolarHBondContact NE1-O 2.83Å; F308-R311 WeakPolarHBondContact O-CB 3.45Å; F308-R311 PolarHBondContact O-N 3.04Å; K309-R311 VanDerWaalsContact C-N 3.26Å; K309-R311 PolarHBondContact O-N 2.68Å; R311-Q313 WeakPolarHBondContact CB-O 3.4Å
312	F	87.1	Confident	83.5	Confident	167 Å²	167	69 Å²	69	73%	0.732	33%	0.334	S	S	*	.	S	Bend	trans	-94.7	-7.6	172.6	-63.5	-80.5	0	0	0	113.6	S320 R321	F312-S320 WeakPolarHBondContact O-CA 3.5Å; F312-R321 PolarHBondContact O-N 2.86Å
313	Q	89.8	Confident	83.5	Confident	126 Å²	126	68.9 Å²	68.9	59%	0.589	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-137.4	148.3	177.3	-73.2	171.3	-22.6	0	0	108.8	R311 A319	R311-Q313 WeakPolarHBondContact CB-O 3.4Å; Q313-A319 WeakPolarHBondContact CA-O 3.48Å
314	C	88.1	Confident	83.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.007	33%	0.33	C	S	.	.			trans	-74.2	143.9	-178.8	174.7	0	0	0	0	112.1	W298 C300 N307 M316 C317 N318 A319	W298-C314 HydrophobicContact CH2-CB 3.78Å; W298-C314 HydrophobicContact CZ3-CB 4.25Å; C300-C314 HydrophobicContact CB-CB 3.71Å; C300-C314 WeakPolarHBondContact CB-SG 3.46Å; N307-C314 WeakPolarHBondContact OD1-CA 3.16Å; N307-C314 PolarHBondContact OD1-SG 3.13Å; C314-M316 VanDerWaalsContact C-N 3.28Å; C314-M316 PolarHBondContact O-N 2.75Å; C314-M316 PolarHBondContact SG-N 2.84Å; C314-C317 HydrophobicContact CB-CB 4.43Å; C314-C317 WeakPolarHBondContact CB-SG 3.29Å; C314-C317 PolarHBondContact SG-N 2.67Å; C314-C317 VanDerWaalsContact SG-N 3.44Å; C314-C317 PolarHBondContact SG-SG 3.22Å; C314-N318 VanDerWaalsContact O-CA 3.3Å; C314-N318 WeakPolarHBondContact O-CA 3.31Å; C314-N318 PolarHBondContact O-N 3.35Å; C314-N318 PolarHBondContact O-OD1 3.28Å; C314-A319 PolarHBondContact N-O 2.94Å
315	Y	87.9	Confident	82.8	Confident	117 Å²	117	71.6 Å²	71.6	46%	0.459	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.3	-179.4	81.2	-88.1	0	0	0	115.1	A305 S306 N307	A305-Y315 HydrophobicContact CB-CE1 4.03Å; S306-Y315 WeakPolarHBondContact O-CE1 3.36Å; N307-Y315 VanDerWaalsContact OD1-CD1 3.28Å; N307-Y315 WeakPolarHBondContact OD1-CD1 3.41Å; N307-Y315 PolarHBondContact OD1-N 3.15Å; N307-Y315 VanDerWaalsContact OD1-N 3.08Å
316	M	83	Confident	81.9	Confident	95 Å²	95	77.8 Å²	77.8	47%	0.468	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-59.5	174.5	-65	179.6	66.9	0	0	111.4	A305 C314	A305-M316 HydrophobicContact CB-CB 4.28Å; A305-M316 HydrophobicContact CB-CG 4.09Å; A305-M316 HydrophobicContact CB-SD 3.48Å; A305-M316 WeakPolarHBondContact CB-SD 3.45Å; C314-M316 VanDerWaalsContact C-N 3.28Å; C314-M316 PolarHBondContact O-N 2.75Å; C314-M316 PolarHBondContact SG-N 2.84Å
317	C	84.3	Confident	80.8	Confident	39 Å²	39	75.6 Å²	75.6	26%	0.264	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8	-171.7	73.8	0	0	0	0	114.3	C300 K302 C303 C314 A319	C300-C317 HydrophobicContact CB-CB 4.48Å; C300-C317 WeakPolarHBondContact CB-SG 3.43Å; C300-C317 WeakPolarHBondContact SG-CB 3.37Å; C300-C317 CovalentContact SG-SG 2.05Å; C300-C317 PolarHBondContact SG-SG 2.84Å; K302-C317 HydrophobicContact CB-CB 4.34Å; C303-C317 HydrophobicContact CB-CB 4.11Å; C303-C317 VanDerWaalsContact SG-CB 3.56Å; C314-C317 HydrophobicContact CB-CB 4.43Å; C314-C317 WeakPolarHBondContact CB-SG 3.29Å; C314-C317 PolarHBondContact SG-N 2.67Å; C314-C317 VanDerWaalsContact SG-N 3.44Å; C314-C317 PolarHBondContact SG-SG 3.22Å; C317-A319 PolarHBondContact O-N 2.99Å; C317-A319 WeakPolarHBondContact SG-CB 3.36Å
318	N	85.1	Confident	79.3	Confident	114 Å²	114	82.3 Å²	82.3	61%	0.61	40%	0.397	S	S	*	.			trans	52.1	-4.3	-169.5	-73.2	-35.4	0	0	0	117.1	C314	C314-N318 VanDerWaalsContact O-CA 3.3Å; C314-N318 WeakPolarHBondContact O-CA 3.31Å; C314-N318 PolarHBondContact O-N 3.35Å; C314-N318 PolarHBondContact O-OD1 3.28Å
319	A	83.9	Confident	77.6	Confident	6 Å²	6	87.2 Å²	87.2	5%	0.05	41%	0.413	C	S	.	.			trans	-54.9	146.2	175.3	0	0	0	0	0	110.8	K302 Q313 C314 C317	K302-A319 HydrophobicContact CD-CB 3.82Å; K302-A319 HydrophobicContact CG-CB 4.14Å; Q313-A319 WeakPolarHBondContact CA-O 3.48Å; C314-A319 PolarHBondContact N-O 2.94Å; C317-A319 PolarHBondContact O-N 2.99Å; C317-A319 WeakPolarHBondContact SG-CB 3.36Å
320	S	86.9	Confident	76.1	Confident	32 Å²	32	86.3 Å²	86.3	22%	0.224	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-69.3	153	179.9	69.8	0	0	0	0	111.7	F312 A322 E323 S324	F312-S320 WeakPolarHBondContact O-CA 3.5Å; S320-A322 PolarHBondContact O-N 3.31Å; S320-E323 WeakPolarHBondContact CB-OE1 3.49Å; S320-E323 PolarHBondContact N-OE1 3.17Å; S320-E323 PolarHBondContact O-N 3.44Å; S320-E323 VanDerWaalsContact OG-CG 3.3Å; S320-E323 WeakPolarHBondContact OG-CG 3.34Å; S320-E323 PolarHBondContact OG-N 2.65Å; S320-E323 VanDerWaalsContact OG-N 3.08Å; S320-E323 PolarHBondContact OG-OE1 2.79Å; S320-S324 PolarHBondContact O-N 2.6Å; S320-S324 PolarHBondContact O-OG 3.44Å
321	R	84.3	Confident	74.6	Confident	42 Å²	42	80.9 Å²	80.9	16%	0.158	42%	0.417	C	S	.	.	H	α-helix	trans	-56	-40.4	167.9	-176.6	-172.4	166.7	116.5	15.4	110.4	W298 K309 F312 E323 S324 E325	W298-R321 HydrophobicContact CD2-CB 4.2Å; W298-R321 HydrophobicContact CD2-CG 3.91Å; W298-R321 HydrophobicContact CG-CG 4.07Å; W298-R321 HydrophobicContact CH2-CB 4.11Å; W298-R321 HydrophobicContact CZ2-CB 3.7Å; W298-R321 HydrophobicContact CZ2-CG 4.27Å; K309-R321 PolarHBondContact O-NH1 2.98Å; F312-R321 PolarHBondContact O-N 2.86Å; R321-E323 PolarHBondContact O-N 3.38Å; R321-S324 CarbonylContact O-C 3.57Å; R321-S324 PolarHBondContact O-N 2.86Å; R321-E325 WeakPolarHBondContact CD-OE2 3.18Å; R321-E325 HydrophobicContact CG-CG 4.09Å; R321-E325 VanDerWaalsContact CG-OE2 3.29Å; R321-E325 WeakPolarHBondContact CG-OE2 3.47Å; R321-E325 IonicContact CZ-OE1 2.76Å; R321-E325 IonicContact CZ-OE2 3.2Å; R321-E325 IonicContact NE-OE1 3.44Å; R321-E325 PolarHBondContact NE-OE1 2.83Å; R321-E325 IonicContact NE-OE2 2.76Å; R321-E325 PolarHBondContact NE-OE2 2.94Å; R321-E325 IonicContact NH2-OE1 2.72Å; R321-E325 PolarHBondContact NH2-OE1 2.9Å; R321-E325 IonicContact NH2-OE2 3.62Å; R321-E325 WeakPolarHBondContact O-CG 3.32Å; R321-E325 PolarHBondContact O-N 2.9Å
322	A	81.2	Confident	73.2	Confident	51 Å²	51	77.8 Å²	77.8	42%	0.421	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-40	179.3	0	0	0	0	0	113.3	S320 S324 N326	S320-A322 PolarHBondContact O-N 3.31Å; A322-S324 PolarHBondContact O-N 3Å; A322-N326 VanDerWaalsContact O-CB 3.22Å; A322-N326 WeakPolarHBondContact O-CB 3.42Å; A322-N326 PolarHBondContact O-N 3.48Å; A322-N326 PolarHBondContact O-ND2 3.03Å
323	E	77.7	Confident	72	Confident	82 Å²	82	73.6 Å²	73.6	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-32.6	172.1	-74.5	157.2	-94.5	0	0	112.5	K302 S320 R321 A327	K302-E323 WeakPolarHBondContact CE-OE2 3.39Å; K302-E323 IonicContact NZ-OE2 3.06Å; K302-E323 PolarHBondContact NZ-OE2 2.88Å; S320-E323 WeakPolarHBondContact CB-OE1 3.49Å; S320-E323 PolarHBondContact N-OE1 3.17Å; S320-E323 PolarHBondContact O-N 3.44Å; S320-E323 VanDerWaalsContact OG-CG 3.3Å; S320-E323 WeakPolarHBondContact OG-CG 3.34Å; S320-E323 PolarHBondContact OG-N 2.65Å; S320-E323 VanDerWaalsContact OG-N 3.08Å; S320-E323 PolarHBondContact OG-OE1 2.79Å; R321-E323 PolarHBondContact O-N 3.38Å; E323-A327 WeakPolarHBondContact O-CB 3.5Å
324	S	74.4	Confident	70.8	Confident	11 Å²	11	68.3 Å²	68.3	8%	0.077	38%	0.378	C	S	.	.	H	α-helix	trans	-84.8	-33.4	-178.5	-54.1	0	0	0	0	112.6	W298 I301 S320 R321 A322	W298-S324 WeakPolarHBondContact CZ3-OG 3.35Å; I301-S324 PolarHBondContact N-OG 3.04Å; S320-S324 PolarHBondContact O-N 2.6Å; S320-S324 PolarHBondContact O-OG 3.44Å; R321-S324 CarbonylContact O-C 3.57Å; R321-S324 PolarHBondContact O-N 2.86Å; A322-S324 PolarHBondContact O-N 3Å
325	E	71.3	Confident	70.2	Confident	85 Å²	85	69 Å²	69	40%	0.397	38%	0.382	S	S	.	.	H	α-helix	trans	-79.4	-41.8	177.4	-70.3	-175.6	129.9	0	0	112.9	R321 A327 L328	R321-E325 WeakPolarHBondContact CD-OE2 3.18Å; R321-E325 HydrophobicContact CG-CG 4.09Å; R321-E325 VanDerWaalsContact CG-OE2 3.29Å; R321-E325 WeakPolarHBondContact CG-OE2 3.47Å; R321-E325 IonicContact CZ-OE1 2.76Å; R321-E325 IonicContact CZ-OE2 3.2Å; R321-E325 IonicContact NE-OE1 3.44Å; R321-E325 PolarHBondContact NE-OE1 2.83Å; R321-E325 IonicContact NE-OE2 2.76Å; R321-E325 PolarHBondContact NE-OE2 2.94Å; R321-E325 IonicContact NH2-OE1 2.72Å; R321-E325 PolarHBondContact NH2-OE1 2.9Å; R321-E325 IonicContact NH2-OE2 3.62Å; R321-E325 WeakPolarHBondContact O-CG 3.32Å; R321-E325 PolarHBondContact O-N 2.9Å; E325-A327 PolarHBondContact O-N 2.94Å; E325-A327 VanDerWaalsContact O-N 3.17Å; E325-L328 PolarHBondContact O-N 3.31Å
326	N	61.9	Low	69.5	Low	129 Å²	129	70.1 Å²	70.1	69%	0.69	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.5	179.7	-71	-7.8	0	0	0	112.8	A322 L328	A322-N326 VanDerWaalsContact O-CB 3.22Å; A322-N326 WeakPolarHBondContact O-CB 3.42Å; A322-N326 PolarHBondContact O-N 3.48Å; A322-N326 PolarHBondContact O-ND2 3.03Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 3.4Å
327	A	58.8	Low	69.4	Low	19 Å²	19	69 Å²	69	16%	0.157	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-81	-0.9	-177.1	0	0	0	0	0	114.9	I301 E323 E325 Y329 G330 A331 G332	I301-A327 HydrophobicContact CD1-CB 3.2Å; E323-A327 WeakPolarHBondContact O-CB 3.5Å; E325-A327 PolarHBondContact O-N 2.94Å; E325-A327 VanDerWaalsContact O-N 3.17Å; A327-Y329 PolarHBondContact O-N 2.86Å; A327-Y329 VanDerWaalsContact O-N 3.1Å; A327-G330 PolarHBondContact O-N 3.14Å; A327-A331 HydrophobicContact CB-CB 4.16Å; A327-A331 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-N 3.09Å; A327-G332 PolarHBondContact O-N 2.84Å
328	L	51.3	Low	69.3	Low	141 Å²	141	67.9 Å²	67.9	74%	0.738	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-55.5	-23.1	172.5	-103.8	66.8	0	0	0	113.4	E325 N326 G330	E325-L328 PolarHBondContact O-N 3.31Å; N326-L328 VanDerWaalsContact C-N 3.29Å; N326-L328 PolarHBondContact O-N 3.4Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-G330 PolarHBondContact O-N 3.18Å
329	Y	46.9	Very low	69.2	Low	231 Å²	231	63.2 Å²	63.2	91%	0.906	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-86.4	32.4	-179.7	-72	-78.8	0	0	0	114.7	A327	A327-Y329 PolarHBondContact O-N 2.86Å; A327-Y329 VanDerWaalsContact O-N 3.1Å
330	G	48.9	Very low	68.9	Low	62 Å²	62	68.7 Å²	68.7	64%	0.639	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.4	1.1	165.5	0	0	0	0	0	117.5	A327 L328	A327-G330 PolarHBondContact O-N 3.14Å; L328-G330 VanDerWaalsContact C-N 3.26Å; L328-G330 PolarHBondContact O-N 3.18Å
331	A	50.9	Low	68.7	Low	51 Å²	51	71.7 Å²	71.7	42%	0.421	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-6.4	174.2	0	0	0	0	0	113.5	I301 A327 E333	I301-A331 HydrophobicContact CD1-CB 4.11Å; I301-A331 WeakPolarHBondContact CD1-O 3.47Å; A327-A331 HydrophobicContact CB-CB 4.16Å; A327-A331 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-N 3.09Å; A331-E333 VanDerWaalsContact C-N 3.31Å; A331-E333 PolarHBondContact O-N 2.85Å
332	G	54.1	Low	68.8	Low	32 Å²	32	74.1 Å²	74.1	33%	0.33	41%	0.41	S	S	.	.			trans	-75.9	-6.6	178.2	0	0	0	0	0	115.8	A327 V335	A327-G332 PolarHBondContact O-N 2.84Å; G332-V335 VanDerWaalsContact O-CG2 3.28Å; G332-V335 WeakPolarHBondContact O-CG2 3.45Å; G332-V335 PolarHBondContact O-N 3.48Å
333	E	60.8	Low	69.2	Low	79 Å²	79	72.3 Å²	72.3	37%	0.369	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	142.2	176.1	-58.6	-148.3	132.7	0	0	111.1	A331 V335 R390 I392	A331-E333 VanDerWaalsContact C-N 3.31Å; A331-E333 PolarHBondContact O-N 2.85Å; E333-V335 VanDerWaalsContact C-N 3.29Å; E333-V335 PolarHBondContact O-N 3.35Å; E333-R390 VanDerWaalsContact CD-NH2 3.32Å; E333-R390 IonicContact OE1-CZ 2.6Å; E333-R390 IonicContact OE1-NE 2.64Å; E333-R390 IonicContact OE1-NH2 2.64Å; E333-R390 PolarHBondContact OE1-NH2 2.74Å; E333-R390 WeakPolarHBondContact OE2-CB 3.38Å; E333-R390 IonicContact OE2-CZ 2.65Å; E333-R390 IonicContact OE2-NE 2.76Å; E333-R390 PolarHBondContact OE2-NE 2.9Å; E333-R390 IonicContact OE2-NH2 2.68Å; E333-R390 PolarHBondContact OE2-NH2 3.31Å; E333-I392 HydrophobicContact CB-CD1 3.86Å
334	G	65.5	Low	69.8	Low	16 Å²	16	72.7 Å²	72.7	17%	0.165	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	0.4	-178.3	0	0	0	0	0	116	D336 E337	G334-D336 VanDerWaalsContact C-N 3.29Å; G334-D336 PolarHBondContact O-N 3.35Å; G334-E337 PolarHBondContact O-N 2.93Å; G334-E337 VanDerWaalsContact O-N 3.16Å
335	V	75.3	Confident	70.5	Confident	15 Å²	15	73.6 Å²	73.6	9%	0.091	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-62.7	-35.2	179.1	172.5	0	0	0	0	112.4	I301 G332 E333 E337 I338	I301-V335 HydrophobicContact CG1-CG2 3.99Å; G332-V335 VanDerWaalsContact O-CG2 3.28Å; G332-V335 WeakPolarHBondContact O-CG2 3.45Å; G332-V335 PolarHBondContact O-N 3.48Å; E333-V335 VanDerWaalsContact C-N 3.29Å; E333-V335 PolarHBondContact O-N 3.35Å; V335-E337 PolarHBondContact O-N 2.96Å; V335-I338 HydrophobicContact CB-CD1 4.32Å; V335-I338 HydrophobicContact CG1-CD1 4.19Å; V335-I338 HydrophobicContact CG2-CD1 4.39Å; V335-I338 WeakPolarHBondContact O-CG1 3.18Å; V335-I338 PolarHBondContact O-N 3.42Å
336	D	72.4	Confident	71.4	Confident	140 Å²	140	69.5 Å²	69.5	75%	0.749	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-74	-8.1	178.8	-55	-46.3	0	0	0	113.8	G334	G334-D336 VanDerWaalsContact C-N 3.29Å; G334-D336 PolarHBondContact O-N 3.35Å
337	E	80.8	Confident	72.8	Confident	72 Å²	72	63.4 Å²	63.4	34%	0.336	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-102.6	3.6	175.6	-63	-178.9	-168.5	0	0	112.4	G334 V335 S339 M347 Y394 C429 I430	G334-E337 PolarHBondContact O-N 2.93Å; G334-E337 VanDerWaalsContact O-N 3.16Å; V335-E337 PolarHBondContact O-N 2.96Å; E337-S339 PolarHBondContact O-N 3.43Å; E337-M347 HydrophobicContact CB-CE 3.64Å; E337-M347 HydrophobicContact CG-CE 4.48Å; E337-M347 WeakPolarHBondContact OE2-CE 2.96Å; E337-Y394 PolarHBondContact OE2-OH 2.97Å; E337-C429 CarbonylContact O-C 3.39Å; E337-C429 WeakPolarHBondContact O-CA 3.4Å; E337-I430 PolarHBondContact O-N 3.39Å
338	I	83.6	Confident	74.2	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.077	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.1	177.6	-59.8	166.8	0	0	0	110.1	V335 R349 T427	V335-I338 HydrophobicContact CB-CD1 4.32Å; V335-I338 HydrophobicContact CG1-CD1 4.19Å; V335-I338 HydrophobicContact CG2-CD1 4.39Å; V335-I338 WeakPolarHBondContact O-CG1 3.18Å; V335-I338 PolarHBondContact O-N 3.42Å; I338-R349 VanDerWaalsContact CD1-NH2 3.31Å; I338-T427 HydrophobicContact CD1-CG2 4.31Å; I338-T427 HydrophobicContact CG1-CG2 4.25Å; I338-T427 HydrophobicContact CG2-CG2 3.75Å
339	S	82.7	Confident	76	Confident	16 Å²	16	56 Å²	56	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.5	170.2	-178	0	0	0	0	111.2	E337 I341 Y428	E337-S339 PolarHBondContact O-N 3.43Å; S339-I341 VanDerWaalsContact C-N 3.34Å; S339-I341 WeakPolarHBondContact CB-O 3.46Å; S339-I341 WeakPolarHBondContact OG-CA 3.2Å; S339-I341 PolarHBondContact OG-N 3.03Å; S339-I341 PolarHBondContact OG-O 3.34Å; S339-Y428 PolarHBondContact N-O 2.92Å
340	Q	77.8	Confident	77.6	Confident	121 Å²	121	46.6 Å²	46.6	57%	0.565	28%	0.276	S	S	*	.	S	Bend	trans	-87.2	-7.9	165.5	-64.2	174.6	27.7	0	0	112.3
341	I	81.5	Confident	79.2	Confident	95 Å²	95	44 Å²	44	49%	0.487	25%	0.247	S	C	.	.	S	Bend	trans	-100.5	145.4	177.5	-58	173.7	0	0	0	108.6	S339 T343 M438	S339-I341 VanDerWaalsContact C-N 3.34Å; S339-I341 WeakPolarHBondContact CB-O 3.46Å; S339-I341 WeakPolarHBondContact OG-CA 3.2Å; S339-I341 PolarHBondContact OG-N 3.03Å; S339-I341 PolarHBondContact OG-O 3.34Å; I341-T343 PolarHBondContact O-N 2.9Å; I341-M438 HydrophobicContact CD1-CE 3.72Å; I341-M438 HydrophobicContact CD1-SD 3.89Å
342	L	86.7	Confident	80.8	Confident	94 Å²	94	43 Å²	43	49%	0.492	24%	0.235	S	C	.	.			trans	-60.6	126.8	173.1	-55.3	176.2	0	0	0	110.4	M404 Y428	L342-M404 HydrophobicContact CD1-SD 4.21Å; L342-Y428 HydrophobicContact CD2-CD2 4.41Å; L342-Y428 HydrophobicContact CD2-CE1 4.15Å; L342-Y428 HydrophobicContact CD2-CE2 3.61Å; L342-Y428 VanDerWaalsContact CD2-CZ 3.45Å; L342-Y428 WeakPolarHBondContact CD2-OH 3.36Å
343	T	89.8	Confident	82.1	Confident	13 Å²	13	44.5 Å²	44.5	8%	0.08	24%	0.244	C	C	.	.			trans	-132	166.9	178.9	60	0	0	0	0	111.7	I341 K345 L400 S403 C429	I341-T343 PolarHBondContact O-N 2.9Å; T343-K345 PolarHBondContact O-N 3.07Å; T343-K345 PolarHBondContact OG1-O 2.87Å; T343-K345 VanDerWaalsContact OG1-O 3.13Å; T343-L400 VanDerWaalsContact C-CD2 3.46Å; T343-S403 VanDerWaalsContact O-CB 3.31Å; T343-S403 WeakPolarHBondContact O-CB 3.25Å; T343-S403 PolarHBondContact O-OG 3.32Å; T343-C429 WeakPolarHBondContact CB-O 3.47Å; T343-C429 VanDerWaalsContact CG2-O 3.29Å; T343-C429 WeakPolarHBondContact CG2-O 3.28Å; T343-C429 PolarHBondContact OG1-O 2.91Å
344	K	89.7	Confident	83.2	Confident	90 Å²	90	47.1 Å²	47.1	39%	0.391	26%	0.26	S	S	.	.	S	Bend	trans	-72.6	1.2	175.7	-69.5	-166	-178.2	-165.7	0	113.8	F397 D398 L400	K344-F397 WeakPolarHBondContact O-CD2 3.48Å; K344-F397 PolarHBondContact O-N 2.9Å; K344-D398 VanDerWaalsContact CE-O 3.32Å; K344-D398 WeakPolarHBondContact CE-O 3.23Å; K344-D398 PolarHBondContact NZ-O 2.79Å; K344-L400 HydrophobicContact CB-CD2 4.44Å; K344-L400 HydrophobicContact CG-CD2 3.63Å; K344-L400 HydrophobicContact CG-CG 3.97Å
345	K	90	Very high	84	Confident	29 Å²	29	46.6 Å²	46.6	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117	-171.3	-61.6	-175.4	-177.5	154.8	0	110.3	T343 L395 N396 C429 D431 E433	T343-K345 PolarHBondContact O-N 3.07Å; T343-K345 PolarHBondContact OG1-O 2.87Å; T343-K345 VanDerWaalsContact OG1-O 3.13Å; K345-L395 CarbonylContact C-O 3.42Å; K345-L395 VanDerWaalsContact CA-O 3.32Å; K345-L395 WeakPolarHBondContact CA-O 3.18Å; K345-N396 WeakPolarHBondContact CD-OD1 3.35Å; K345-N396 HydrophobicContact CG-CB 4.5Å; K345-N396 WeakPolarHBondContact CG-OD1 3.22Å; K345-C429 HydrophobicContact CB-CB 4Å; K345-C429 VanDerWaalsContact O-CB 3.32Å; K345-C429 WeakPolarHBondContact O-CB 3.42Å; K345-C429 PolarHBondContact O-N 3.41Å; K345-D431 HydrophobicContact CD-CB 4.41Å; K345-D431 VanDerWaalsContact CD-OD2 3.31Å; K345-D431 WeakPolarHBondContact CD-OD2 3.48Å; K345-D431 WeakPolarHBondContact CE-OD1 3.45Å; K345-D431 WeakPolarHBondContact CE-OD2 3.34Å; K345-D431 WeakPolarHBondContact CG-OD2 3.39Å; K345-D431 VanDerWaalsContact NZ-CG 3.33Å; K345-D431 IonicContact NZ-OD1 2.59Å; K345-D431 PolarHBondContact NZ-OD1 3.5Å; K345-D431 IonicContact NZ-OD2 2.69Å; K345-D431 PolarHBondContact NZ-OD2 3.44Å; K345-E433 IonicContact NZ-OE1 3.42Å; K345-E433 PolarHBondContact NZ-OE1 2.82Å; K345-E433 IonicContact NZ-OE2 2.64Å
346	I	91	Very high	84.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.9	174.5	-55.7	173.1	0	0	0	108.1	Y394 L395 F397 S403 V406 F407 V426 T427	I346-Y394 CarbonylContact O-C 3.59Å; I346-Y394 WeakPolarHBondContact O-CA 3.35Å; I346-L395 HydrophobicContact CB-CB 4.3Å; I346-L395 PolarHBondContact N-O 3.01Å; I346-L395 PolarHBondContact O-N 2.78Å; I346-F397 HydrophobicContact CB-CE2 4.21Å; I346-F397 HydrophobicContact CD1-CD2 4.35Å; I346-F397 HydrophobicContact CD1-CE2 3.48Å; I346-F397 VanDerWaalsContact CD1-CE2 3.48Å; I346-F397 HydrophobicContact CD1-CZ 3.92Å; I346-F397 HydrophobicContact CG1-CD2 4.33Å; I346-F397 HydrophobicContact CG1-CE2 3.7Å; I346-S403 WeakPolarHBondContact CD1-O 3.37Å; I346-V406 HydrophobicContact CD1-CB 3.96Å; I346-V406 HydrophobicContact CD1-CG1 3.79Å; I346-F407 HydrophobicContact CD1-CB 3.98Å; I346-F407 HydrophobicContact CG2-CD2 4.5Å; I346-V426 HydrophobicContact CG2-CG1 3.61Å; I346-T427 WeakPolarHBondContact CG2-O 3.45Å
347	M	89.9	Confident	85.4	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.2	172	-175.1	-163.3	-95.7	0	0	109.9	E337 R349 I392 Y394 T427 C429	E337-M347 HydrophobicContact CB-CE 3.64Å; E337-M347 HydrophobicContact CG-CE 4.48Å; E337-M347 WeakPolarHBondContact OE2-CE 2.96Å; M347-R349 HydrophobicContact CG-CG 3.88Å; M347-R349 WeakPolarHBondContact SD-CD 3.39Å; M347-R349 HydrophobicContact SD-CG 3.56Å; M347-R349 VanDerWaalsContact SD-CG 3.56Å; M347-I392 HydrophobicContact CE-CG2 3.93Å; M347-I392 HydrophobicContact CG-CG2 3.37Å; M347-I392 HydrophobicContact SD-CG2 3.81Å; M347-Y394 HydrophobicContact CB-CD1 4.45Å; M347-Y394 HydrophobicContact CE-CE1 3.54Å; M347-Y394 HydrophobicContact CG-CD1 4.4Å; M347-Y394 HydrophobicContact CG-CE1 4.14Å; M347-T427 PolarHBondContact N-O 2.94Å; M347-T427 PolarHBondContact O-N 3.19Å; M347-T427 PolarHBondContact O-OG1 3.4Å; M347-C429 HydrophobicContact CB-CB 4.14Å
348	L	89.6	Confident	85.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.2	166.8	-58.6	-178.1	0	0	0	109.1	L351 V360 I392 C393 L395 L410 V424 I425 V426	L348-L351 HydrophobicContact CB-CD1 4.28Å; L348-V360 HydrophobicContact CD1-CG1 3.68Å; L348-I392 CarbonylContact O-C 3.57Å; L348-I392 VanDerWaalsContact O-CA 3.28Å; L348-I392 WeakPolarHBondContact O-CA 3.46Å; L348-I392 WeakPolarHBondContact O-CG2 3.48Å; L348-C393 HydrophobicContact CB-CB 4.33Å; L348-C393 PolarHBondContact N-O 3.26Å; L348-C393 PolarHBondContact O-N 3Å; L348-L395 HydrophobicContact CD1-CD1 4.1Å; L348-L395 HydrophobicContact CD1-CD2 4.41Å; L348-L395 HydrophobicContact CD1-CG 4.33Å; L348-L395 HydrophobicContact CD2-CD1 4.45Å; L348-L395 HydrophobicContact CG-CD1 4.21Å; L348-L395 HydrophobicContact CG-CG 4.4Å; L348-L410 HydrophobicContact CD2-CD1 4.25Å; L348-V424 HydrophobicContact CB-CG1 3.8Å; L348-V424 HydrophobicContact CD2-CG1 4.07Å; L348-V424 HydrophobicContact CG-CG1 4.38Å; L348-I425 WeakPolarHBondContact CA-O 3.32Å; L348-V426 HydrophobicContact CD2-CB 4.38Å; L348-V426 HydrophobicContact CD2-CG1 4.11Å; L348-V426 HydrophobicContact CD2-CG2 3.86Å
349	R	87.3	Confident	85.8	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.019	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.6	178.8	-70	-175.6	-72.2	124.8	8.4	112.2	I301 I338 M347 G391 I392 I425 T427	I301-R349 VanDerWaalsContact O-CZ 3.29Å; I301-R349 PolarHBondContact O-NH1 3.19Å; I301-R349 PolarHBondContact O-NH2 3.4Å; I338-R349 VanDerWaalsContact CD1-NH2 3.31Å; M347-R349 HydrophobicContact CG-CG 3.88Å; M347-R349 WeakPolarHBondContact SD-CD 3.39Å; M347-R349 HydrophobicContact SD-CG 3.56Å; M347-R349 VanDerWaalsContact SD-CG 3.56Å; R349-G391 CarbonylContact C-O 3.56Å; R349-G391 WeakPolarHBondContact CA-O 3.11Å; R349-I392 HydrophobicContact CG-CB 4.48Å; R349-I392 HydrophobicContact CG-CG1 4.17Å; R349-I392 HydrophobicContact CG-CG2 3.95Å; R349-I425 HydrophobicContact CB-CB 4.43Å; R349-I425 PolarHBondContact N-O 3.12Å; R349-I425 PolarHBondContact O-N 2.82Å; R349-T427 PolarHBondContact NE-OG1 3.45Å; R349-T427 PolarHBondContact NH2-OG1 3.39Å
350	G	80.3	Confident	86.1	Confident	33 Å²	33	49.9 Å²	49.9	34%	0.34	27%	0.273	S	S	.	.	S	Bend	trans	86.3	15.3	-178.7	0	0	0	0	0	113.9	G391	G350-G391 PolarHBondContact N-O 2.98Å
351	L	84.3	Confident	86.5	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	26%	0.263	C	S	.	.			trans	-66.4	155.8	174.7	-60.1	171.8	0	0	0	111.1	L348 T355 V360 G391 C393 L419 V424	L348-L351 HydrophobicContact CB-CD1 4.28Å; L351-T355 HydrophobicContact CB-CG2 4.07Å; L351-T355 WeakPolarHBondContact CB-OG1 3.18Å; L351-T355 HydrophobicContact CD2-CG2 4.49Å; L351-V360 HydrophobicContact CD1-CG2 4.36Å; L351-G391 PolarHBondContact N-O 3.09Å; L351-G391 VanDerWaalsContact N-O 3.08Å; L351-G391 WeakPolarHBondContact O-CA 3.49Å; L351-C393 HydrophobicContact CD1-CB 3.39Å; L351-L419 HydrophobicContact CD2-CB 4.2Å; L351-L419 HydrophobicContact CD2-CD1 3.52Å; L351-L419 HydrophobicContact CD2-CG 4.5Å; L351-V424 HydrophobicContact CD2-CG1 4Å; L351-V424 HydrophobicContact CD2-CG2 3.73Å
352	D	83.8	Confident	86.8	Confident	31 Å²	31	46.1 Å²	46.1	17%	0.166	26%	0.259	C	S	.	.			trans	-73.8	154.3	173.9	-170.4	51.7	0	0	0	113	L354 T355 S389 D420 K422	D352-L354 PolarHBondContact O-N 3.12Å; D352-L354 VanDerWaalsContact O-N 3.12Å; D352-L354 VanDerWaalsContact OD2-CB 3.31Å; D352-L354 WeakPolarHBondContact OD2-CB 3.4Å; D352-L354 WeakPolarHBondContact OD2-CG 3.37Å; D352-L354 PolarHBondContact OD2-N 3.13Å; D352-T355 HydrophobicContact CB-CG2 4.1Å; D352-T355 WeakPolarHBondContact O-CB 3.37Å; D352-T355 PolarHBondContact O-N 3.48Å; D352-T355 PolarHBondContact O-OG1 2.86Å; D352-S389 PolarHBondContact O-OG 3.32Å; D352-D420 HydrophobicContact CB-CB 4.04Å; D352-K422 HydrophobicContact CB-CD 3.98Å; D352-K422 WeakPolarHBondContact OD1-CE 3.41Å; D352-K422 IonicContact OD1-NZ 2.67Å; D352-K422 PolarHBondContact OD1-NZ 3.31Å
353	A	82.4	Confident	86.8	Confident	63 Å²	63	42.1 Å²	42.1	52%	0.521	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.8	175.4	0	0	0	0	0	113.4	S389	A353-S389 WeakPolarHBondContact CA-OG 3.31Å; A353-S389 PolarHBondContact O-OG 3.02Å; A353-S389 VanDerWaalsContact O-OG 3.09Å
354	L	82.1	Confident	86.6	Confident	135 Å²	135	41.7 Å²	41.7	71%	0.707	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.5	175.9	-56.7	177.3	0	0	0	113.9	D352 N356	D352-L354 PolarHBondContact O-N 3.12Å; D352-L354 VanDerWaalsContact O-N 3.12Å; D352-L354 VanDerWaalsContact OD2-CB 3.31Å; D352-L354 WeakPolarHBondContact OD2-CB 3.4Å; D352-L354 WeakPolarHBondContact OD2-CG 3.37Å; D352-L354 PolarHBondContact OD2-N 3.13Å; L354-N356 PolarHBondContact O-ND2 3.21Å; L354-N356 VanDerWaalsContact O-ND2 3.15Å
355	T	83.1	Confident	86.5	Confident	4 Å²	4	43.4 Å²	43.4	3%	0.025	25%	0.247	C	C	.	.			trans	-63.1	138	179.5	55.8	0	0	0	0	111.8	L351 D352 D420	L351-T355 HydrophobicContact CB-CG2 4.07Å; L351-T355 WeakPolarHBondContact CB-OG1 3.18Å; L351-T355 HydrophobicContact CD2-CG2 4.49Å; D352-T355 HydrophobicContact CB-CG2 4.1Å; D352-T355 WeakPolarHBondContact O-CB 3.37Å; D352-T355 PolarHBondContact O-N 3.48Å; D352-T355 PolarHBondContact O-OG1 2.86Å; T355-D420 WeakPolarHBondContact CG2-OD2 3.25Å
356	N	88.2	Confident	86.3	Confident	81 Å²	81	49 Å²	49	43%	0.433	27%	0.273	S	S	.	.			trans	-120.2	161	175.6	-73.1	-69.4	0	0	0	110.9	L354 E358 G359 V360 R382	L354-N356 PolarHBondContact O-ND2 3.21Å; L354-N356 VanDerWaalsContact O-ND2 3.15Å; N356-E358 PolarHBondContact O-N 3.05Å; N356-G359 WeakPolarHBondContact O-CA 3.26Å; N356-G359 PolarHBondContact O-N 3.45Å; N356-V360 PolarHBondContact O-N 3.32Å; N356-R382 PolarHBondContact OD1-NH2 3.42Å
357	E	88.8	Confident	85.9	Confident	62 Å²	62	55 Å²	55	29%	0.29	30%	0.296	S	S	.	.	H	α-helix	trans	-55.6	-38.4	179.7	-65.8	163.6	167.7	0	0	111.6	V360 L361 V378 L379 V380	E357-V360 PolarHBondContact O-N 3Å; E357-L361 WeakPolarHBondContact O-CB 3.38Å; E357-L361 WeakPolarHBondContact O-CG 3.42Å; E357-L361 PolarHBondContact O-N 3.04Å; E357-V378 HydrophobicContact CB-CG1 4.02Å; E357-V378 HydrophobicContact CG-CG1 4.17Å; E357-L379 WeakPolarHBondContact OE1-CA 3.29Å; E357-V380 HydrophobicContact CB-CG2 4.48Å; E357-V380 HydrophobicContact CG-CB 3.84Å; E357-V380 HydrophobicContact CG-CG2 3.58Å; E357-V380 PolarHBondContact OE1-N 3.2Å
358	E	86.6	Confident	85.7	Confident	153 Å²	153	56.4 Å²	56.4	72%	0.715	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-36.7	173.1	-61.9	178.7	170.6	0	0	113.2	N356 T362	N356-E358 PolarHBondContact O-N 3.05Å; E358-T362 VanDerWaalsContact O-CB 3.31Å; E358-T362 WeakPolarHBondContact O-CB 3.41Å; E358-T362 PolarHBondContact O-N 3.09Å; E358-T362 PolarHBondContact O-OG1 3.18Å
359	G	87.3	Confident	85.2	Confident	32 Å²	32	59.9 Å²	59.9	33%	0.33	33%	0.326	S	S	.	.	H	α-helix	trans	-70.2	-42.1	177	0	0	0	0	0	111.9	N356 T362 A363	N356-G359 WeakPolarHBondContact O-CA 3.26Å; N356-G359 PolarHBondContact O-N 3.45Å; G359-T362 PolarHBondContact O-N 3.17Å; G359-A363 PolarHBondContact O-N 3.01Å
360	V	88.4	Confident	85	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.1	-49.8	172.1	177	0	0	0	0	110.3	L348 L351 N356 E357 T362 A363 L364 V378 C393 L395 L419	L348-V360 HydrophobicContact CD1-CG1 3.68Å; L351-V360 HydrophobicContact CD1-CG2 4.36Å; N356-V360 PolarHBondContact O-N 3.32Å; E357-V360 PolarHBondContact O-N 3Å; V360-T362 VanDerWaalsContact C-N 3.34Å; V360-T362 PolarHBondContact O-N 3.27Å; V360-A363 PolarHBondContact O-N 3.28Å; V360-L364 HydrophobicContact CG1-CD1 4Å; V360-L364 HydrophobicContact CG1-CG 4.41Å; V360-L364 WeakPolarHBondContact O-CB 3.33Å; V360-L364 VanDerWaalsContact O-CG 3.26Å; V360-L364 WeakPolarHBondContact O-CG 3.49Å; V360-L364 PolarHBondContact O-N 3.18Å; V360-V378 HydrophobicContact CB-CG1 4.41Å; V360-V378 HydrophobicContact CG1-CG1 4.28Å; V360-C393 HydrophobicContact CG2-CB 4.46Å; V360-L395 HydrophobicContact CG1-CD2 4.05Å; V360-L419 HydrophobicContact CG2-CD1 4.1Å
361	L	86.8	Confident	85.1	Confident	68 Å²	68	67.6 Å²	67.6	36%	0.356	35%	0.354	S	S	.	.	H	α-helix	trans	-58.1	-43.1	175.6	-79	168.5	0	0	0	112.6	E357 L364 Q365 V378	E357-L361 WeakPolarHBondContact O-CB 3.38Å; E357-L361 WeakPolarHBondContact O-CG 3.42Å; E357-L361 PolarHBondContact O-N 3.04Å; L361-L364 PolarHBondContact O-N 2.92Å; L361-Q365 WeakPolarHBondContact O-CB 3.39Å; L361-Q365 PolarHBondContact O-N 3.04Å; L361-V378 HydrophobicContact CD1-CG2 4.33Å; L361-V378 HydrophobicContact CD2-CG2 3.58Å; L361-V378 HydrophobicContact CG-CB 4.41Å; L361-V378 HydrophobicContact CG-CG2 3.81Å
362	T	87	Confident	84.9	Confident	68 Å²	68	68.1 Å²	68.1	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-44.8	179.4	-60.3	0	0	0	0	111.5	E358 G359 V360 Q365 Q366	E358-T362 VanDerWaalsContact O-CB 3.31Å; E358-T362 WeakPolarHBondContact O-CB 3.41Å; E358-T362 PolarHBondContact O-N 3.09Å; E358-T362 PolarHBondContact O-OG1 3.18Å; G359-T362 PolarHBondContact O-N 3.17Å; V360-T362 VanDerWaalsContact C-N 3.34Å; V360-T362 PolarHBondContact O-N 3.27Å; T362-Q365 PolarHBondContact O-N 3.4Å; T362-Q366 WeakPolarHBondContact O-CB 3.39Å; T362-Q366 VanDerWaalsContact O-CG 3.31Å; T362-Q366 WeakPolarHBondContact O-CG 3.47Å; T362-Q366 PolarHBondContact O-N 3.47Å
363	A	86.2	Confident	84.9	Confident	11 Å²	11	75 Å²	75	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-68	-38.8	177.1	0	0	0	0	0	112.7	G359 V360 Q365 Q366 R367 L417 L419	G359-A363 PolarHBondContact O-N 3.01Å; V360-A363 PolarHBondContact O-N 3.28Å; A363-Q365 VanDerWaalsContact C-N 3.35Å; A363-Q366 PolarHBondContact O-N 3.18Å; A363-R367 WeakPolarHBondContact O-CG 3.44Å; A363-R367 PolarHBondContact O-N 3.46Å; A363-L417 HydrophobicContact CB-CD1 4.45Å; A363-L419 HydrophobicContact CB-CD1 4.42Å; A363-L419 HydrophobicContact CB-CD2 3.51Å; A363-L419 HydrophobicContact CB-CG 4.03Å
364	L	86.5	Confident	85.1	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-44.9	171.9	-70.7	174.1	0	0	0	111.2	V360 L361 R367 L368 A372 V375 L395 L410	V360-L364 HydrophobicContact CG1-CD1 4Å; V360-L364 HydrophobicContact CG1-CG 4.41Å; V360-L364 WeakPolarHBondContact O-CB 3.33Å; V360-L364 VanDerWaalsContact O-CG 3.26Å; V360-L364 WeakPolarHBondContact O-CG 3.49Å; V360-L364 PolarHBondContact O-N 3.18Å; L361-L364 PolarHBondContact O-N 2.92Å; L364-R367 PolarHBondContact O-N 3.43Å; L364-L368 CarbonylContact O-C 3.53Å; L364-L368 WeakPolarHBondContact O-CA 3.41Å; L364-L368 PolarHBondContact O-N 3.5Å; L364-A372 HydrophobicContact CB-CB 4.25Å; L364-V375 HydrophobicContact CD1-CG2 4.45Å; L364-L395 HydrophobicContact CD1-CD1 3.86Å; L364-L395 HydrophobicContact CD1-CD2 3.82Å; L364-L395 HydrophobicContact CD2-CD1 4.34Å; L364-L410 HydrophobicContact CD2-CD1 3.98Å; L364-L410 HydrophobicContact CD2-CD2 3.87Å; L364-L410 HydrophobicContact CD2-CG 4.43Å
365	Q	87.1	Confident	85.4	Confident	127 Å²	127	68.4 Å²	68.4	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-68.6	-33.8	178.5	-170.3	176.8	4	0	0	112.7	L361 T362 A363 P369 A372	L361-Q365 WeakPolarHBondContact O-CB 3.39Å; L361-Q365 PolarHBondContact O-N 3.04Å; T362-Q365 PolarHBondContact O-N 3.4Å; A363-Q365 VanDerWaalsContact C-N 3.35Å; Q365-P369 WeakPolarHBondContact O-CA 3.24Å; Q365-P369 WeakPolarHBondContact O-CB 3.47Å; Q365-A372 HydrophobicContact CB-CB 4.3Å
366	Q	85.4	Confident	85.7	Confident	147 Å²	147	71.4 Å²	71.4	69%	0.687	37%	0.368	S	S	*	.	H	α-helix	trans	-70.6	-33.3	175.3	-76.1	177.9	10.5	0	0	113.4	T362 A363	T362-Q366 WeakPolarHBondContact O-CB 3.39Å; T362-Q366 VanDerWaalsContact O-CG 3.31Å; T362-Q366 WeakPolarHBondContact O-CG 3.47Å; T362-Q366 PolarHBondContact O-N 3.47Å; A363-Q366 PolarHBondContact O-N 3.18Å
367	R	83.1	Confident	85.7	Confident	125 Å²	125	73 Å²	73	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-95.1	-34.6	-177.5	-62	-60.2	-176.5	176.9	1.3	113.7	A363 L364 L413 L417	A363-R367 WeakPolarHBondContact O-CG 3.44Å; A363-R367 PolarHBondContact O-N 3.46Å; L364-R367 PolarHBondContact O-N 3.43Å; R367-L413 HydrophobicContact CB-CD1 4.02Å; R367-L413 HydrophobicContact CB-CD2 4.32Å; R367-L413 HydrophobicContact CG-CD1 4.16Å; R367-L417 HydrophobicContact CG-CD1 4.13Å
368	L	84.5	Confident	85.8	Confident	29 Å²	29	70.9 Å²	70.9	15%	0.152	36%	0.362	C	S	.	.			trans	-138.8	63.6	-174.4	-61	174.1	0	0	0	111	L364 E370 L371 A372 L410	L364-L368 CarbonylContact O-C 3.53Å; L364-L368 WeakPolarHBondContact O-CA 3.41Å; L364-L368 PolarHBondContact O-N 3.5Å; L368-E370 PolarHBondContact O-N 3.2Å; L368-E370 VanDerWaalsContact O-N 3.09Å; L368-L371 HydrophobicContact CB-CB 4.29Å; L368-L371 HydrophobicContact CD1-CD1 4.43Å; L368-L371 HydrophobicContact CD2-CD1 4.48Å; L368-L371 PolarHBondContact O-N 3.3Å; L368-A372 WeakPolarHBondContact O-CB 3.5Å; L368-A372 PolarHBondContact O-N 3.32Å; L368-L410 HydrophobicContact CD1-CD2 3.67Å; L368-L410 HydrophobicContact CD1-CG 3.82Å
369	P	80.7	Confident	86	Confident	73 Å²	73	66.8 Å²	66.8	47%	0.474	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.6	-170.3	22.8	-34.6	0	0	0	115.5	Q365 K373	Q365-P369 WeakPolarHBondContact O-CA 3.24Å; Q365-P369 WeakPolarHBondContact O-CB 3.47Å; P369-K373 WeakPolarHBondContact O-CE 3.38Å
370	E	81.8	Confident	86.1	Confident	159 Å²	159	65.8 Å²	65.8	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-50.9	175.3	-60.5	-173.6	154.5	0	0	111	L368 K373	L368-E370 PolarHBondContact O-N 3.2Å; L368-E370 VanDerWaalsContact O-N 3.09Å; E370-K373 PolarHBondContact O-N 2.88Å
371	L	82.1	Confident	86	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.215	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-74.7	-26.5	-175.6	-58	175.9	0	0	0	113.1	L368 K373 T374 N405 V406	L368-L371 HydrophobicContact CB-CB 4.29Å; L368-L371 HydrophobicContact CD1-CD1 4.43Å; L368-L371 HydrophobicContact CD2-CD1 4.48Å; L368-L371 PolarHBondContact O-N 3.3Å; L371-K373 PolarHBondContact O-N 2.71Å; L371-T374 WeakPolarHBondContact O-CB 3.46Å; L371-T374 PolarHBondContact O-N 3.24Å; L371-T374 PolarHBondContact O-OG1 2.82Å; L371-N405 HydrophobicContact CD1-CB 4.31Å; L371-N405 HydrophobicContact CD2-CB 4Å; L371-V406 HydrophobicContact CB-CG2 3.68Å; L371-V406 HydrophobicContact CD1-CG2 4.4Å
372	A	81.2	Confident	86	Confident	18 Å²	18	68.3 Å²	68.3	15%	0.149	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56.9	-22.7	175.1	0	0	0	0	0	113.4	L364 Q365 L368 T374 V375	L364-A372 HydrophobicContact CB-CB 4.25Å; Q365-A372 HydrophobicContact CB-CB 4.3Å; L368-A372 WeakPolarHBondContact O-CB 3.5Å; L368-A372 PolarHBondContact O-N 3.32Å; A372-T374 VanDerWaalsContact C-N 3.31Å; A372-T374 PolarHBondContact O-N 2.88Å; A372-V375 WeakPolarHBondContact O-CG2 3.42Å
373	K	83.9	Confident	85.8	Confident	177 Å²	177	67.2 Å²	67.2	77%	0.77	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-76	-14.5	176.4	-58.6	175.4	-173.7	172	0	114.1	P369 E370 L371 V375	P369-K373 WeakPolarHBondContact O-CE 3.38Å; E370-K373 PolarHBondContact O-N 2.88Å; L371-K373 PolarHBondContact O-N 2.71Å; K373-V375 VanDerWaalsContact C-N 3.34Å
374	T	87.4	Confident	85.7	Confident	35 Å²	35	71.1 Å²	71.1	22%	0.215	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-87.7	-5.7	-179.9	68.3	0	0	0	0	113	L371 A372 S376 F397 D402	L371-T374 WeakPolarHBondContact O-CB 3.46Å; L371-T374 PolarHBondContact O-N 3.24Å; L371-T374 PolarHBondContact O-OG1 2.82Å; A372-T374 VanDerWaalsContact C-N 3.31Å; A372-T374 PolarHBondContact O-N 2.88Å; T374-S376 PolarHBondContact O-N 3.03Å; T374-S376 VanDerWaalsContact O-N 3.14Å; T374-F397 WeakPolarHBondContact O-CD1 3.43Å; T374-D402 HydrophobicContact CG2-CB 4.27Å; T374-D402 WeakPolarHBondContact CG2-OD1 3.47Å
375	V	88.1	Confident	85.5	Confident	24 Å²	24	78.5 Å²	78.5	15%	0.145	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	101.6	-179.5	-172.8	0	0	0	0	109.4	L364 A372 K373 V378 L395 F397	L364-V375 HydrophobicContact CD1-CG2 4.45Å; A372-V375 WeakPolarHBondContact O-CG2 3.42Å; K373-V375 VanDerWaalsContact C-N 3.34Å; V375-V378 HydrophobicContact CG1-CG2 3.47Å; V375-V378 VanDerWaalsContact CG1-CG2 3.47Å; V375-L395 HydrophobicContact CG1-CB 4.38Å; V375-L395 HydrophobicContact CG1-CD2 4.38Å; V375-F397 HydrophobicContact CB-CE1 4.19Å; V375-F397 HydrophobicContact CG2-CE1 3.59Å; V375-F397 HydrophobicContact CG2-CZ 3.93Å
376	S	88.2	Confident	85.4	Confident	66 Å²	66	77 Å²	77	46%	0.462	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-34.2	179.8	-178.8	0	0	0	0	112.4	T374 N396 D398	T374-S376 PolarHBondContact O-N 3.03Å; T374-S376 VanDerWaalsContact O-N 3.14Å; S376-N396 WeakPolarHBondContact CB-O 3.45Å; S376-N396 PolarHBondContact N-O 2.88Å; S376-D398 WeakPolarHBondContact CB-OD1 3.41Å; S376-D398 PolarHBondContact OG-OD1 3.32Å
377	K	88.5	Confident	85.2	Confident	115 Å²	115	75.5 Å²	75.5	50%	0.5	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	140.7	174.8	-152.1	174.7	-174.9	178.2	0	112.6	L379 L395 N396	K377-L379 HydrophobicContact CD-CD1 4.06Å; K377-L379 HydrophobicContact CD-CG 4.22Å; K377-L379 HydrophobicContact CG-CG 4.26Å; K377-L395 WeakPolarHBondContact O-CA 3.28Å; K377-N396 HydrophobicContact CB-CB 3.99Å; K377-N396 PolarHBondContact N-O 3.14Å; K377-N396 PolarHBondContact O-N 3.03Å
378	V	90.9	Very high	85.1	Confident	18 Å²	18	72 Å²	72	11%	0.109	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.2	168.1	-178.4	0	0	0	0	108.3	E357 V360 L361 V375 C393 Y394 L395	E357-V378 HydrophobicContact CB-CG1 4.02Å; E357-V378 HydrophobicContact CG-CG1 4.17Å; V360-V378 HydrophobicContact CB-CG1 4.41Å; V360-V378 HydrophobicContact CG1-CG1 4.28Å; L361-V378 HydrophobicContact CD1-CG2 4.33Å; L361-V378 HydrophobicContact CD2-CG2 3.58Å; L361-V378 HydrophobicContact CG-CB 4.41Å; L361-V378 HydrophobicContact CG-CG2 3.81Å; V375-V378 HydrophobicContact CG1-CG2 3.47Å; V375-V378 VanDerWaalsContact CG1-CG2 3.47Å; V378-C393 VanDerWaalsContact CG1-SG 3.52Å; V378-Y394 WeakPolarHBondContact CA-O 3.39Å; V378-L395 HydrophobicContact CB-CD2 4.42Å; V378-L395 HydrophobicContact CG1-CD2 4.08Å; V378-L395 HydrophobicContact CG2-CD2 3.78Å
379	L	90	Very high	85	Confident	67 Å²	67	71.3 Å²	71.3	35%	0.351	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	109.7	179.6	-73.5	173.3	0	0	0	110.5	E357 K377 S381 C393 Y394	E357-L379 WeakPolarHBondContact OE1-CA 3.29Å; K377-L379 HydrophobicContact CD-CD1 4.06Å; K377-L379 HydrophobicContact CD-CG 4.22Å; K377-L379 HydrophobicContact CG-CG 4.26Å; L379-S381 PolarHBondContact O-N 3.07Å; L379-C393 CarbonylContact O-C 3.29Å; L379-C393 WeakPolarHBondContact O-CA 3.49Å; L379-C393 PolarHBondContact O-SG 3.03Å; L379-C393 VanDerWaalsContact O-SG 3.4Å; L379-Y394 PolarHBondContact N-O 2.64Å; L379-Y394 PolarHBondContact O-N 3.08Å
380	V	89.7	Confident	85.1	Confident	10 Å²	10	73.4 Å²	73.4	6%	0.061	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.3	170.8	169.6	0	0	0	0	108.3	E357 R382 C393	E357-V380 HydrophobicContact CB-CG2 4.48Å; E357-V380 HydrophobicContact CG-CB 3.84Å; E357-V380 HydrophobicContact CG-CG2 3.58Å; E357-V380 PolarHBondContact OE1-N 3.2Å; V380-R382 PolarHBondContact O-N 3.42Å; V380-C393 HydrophobicContact CG2-CB 4.01Å
381	S	87	Confident	85.1	Confident	18 Å²	18	66.4 Å²	66.4	13%	0.126	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.1	175.5	66.8	0	0	0	0	110.5	L379 S389 R390 I392	L379-S381 PolarHBondContact O-N 3.07Å; S381-S389 CarbonylContact O-C 3.52Å; S381-S389 VanDerWaalsContact O-CA 3.26Å; S381-S389 WeakPolarHBondContact O-CA 3.4Å; S381-R390 PolarHBondContact O-N 3.49Å; S381-I392 WeakPolarHBondContact CB-O 3.26Å; S381-I392 PolarHBondContact N-O 2.98Å; S381-I392 WeakPolarHBondContact OG-CB 3.42Å; S381-I392 PolarHBondContact OG-O 3.12Å
382	R	87	Confident	85.4	Confident	103 Å²	103	64.9 Å²	64.9	39%	0.389	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.6	177.3	-70.4	173.3	174.3	136.9	-2.2	109.2	N356 V380 N387 A388	N356-R382 PolarHBondContact OD1-NH2 3.42Å; V380-R382 PolarHBondContact O-N 3.42Å; R382-N387 WeakPolarHBondContact CD-O 3.38Å; R382-N387 WeakPolarHBondContact CG-O 3.44Å; R382-A388 CarbonylContact C-O 3.59Å; R382-A388 WeakPolarHBondContact CA-O 3.34Å
383	D	82	Confident	85.8	Confident	45 Å²	45	64 Å²	64	24%	0.241	35%	0.348	C	S	.	.			trans	-65.3	133.8	169.7	162.3	42.5	0	0	0	109.8	L385 T386 N387 A388	D383-L385 PolarHBondContact O-N 3.33Å; D383-L385 PolarHBondContact OD1-N 2.89Å; D383-L385 VanDerWaalsContact OD1-N 3.13Å; D383-L385 PolarHBondContact OD2-N 2.93Å; D383-T386 VanDerWaalsContact OD2-CB 3.29Å; D383-T386 WeakPolarHBondContact OD2-CB 3.48Å; D383-T386 WeakPolarHBondContact OD2-CG2 3.37Å; D383-T386 PolarHBondContact OD2-N 3.05Å; D383-T386 PolarHBondContact OD2-OG1 3.16Å; D383-N387 WeakPolarHBondContact O-CA 3.33Å; D383-N387 PolarHBondContact O-N 2.92Å; D383-A388 PolarHBondContact N-O 2.75Å
384	A	84.4	Confident	86.2	Confident	93 Å²	93	57.9 Å²	57.9	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.1	-176.8	0	0	0	0	0	113.3
385	L	83.3	Confident	86.4	Confident	159 Å²	159	56.2 Å²	56.2	83%	0.832	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-46	179.4	-62	176.7	0	0	0	112.3	D383	D383-L385 PolarHBondContact O-N 3.33Å; D383-L385 PolarHBondContact OD1-N 2.89Å; D383-L385 VanDerWaalsContact OD1-N 3.13Å; D383-L385 PolarHBondContact OD2-N 2.93Å
386	T	83.8	Confident	86.6	Confident	95 Å²	95	56.6 Å²	56.6	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-16.3	-174.5	61.7	0	0	0	0	114.9	D383 A388	D383-T386 VanDerWaalsContact OD2-CB 3.29Å; D383-T386 WeakPolarHBondContact OD2-CB 3.48Å; D383-T386 WeakPolarHBondContact OD2-CG2 3.37Å; D383-T386 PolarHBondContact OD2-N 3.05Å; D383-T386 PolarHBondContact OD2-OG1 3.16Å; T386-A388 PolarHBondContact O-N 3.44Å; T386-A388 VanDerWaalsContact O-N 3.15Å; T386-A388 WeakPolarHBondContact OG1-CB 3.28Å; T386-A388 PolarHBondContact OG1-N 2.68Å
387	N	80.8	Confident	86.7	Confident	115 Å²	115	53.8 Å²	53.8	62%	0.615	29%	0.291	S	S	*	.			trans	57.6	8.1	-165.7	-67.9	-86	0	0	0	115.4	R382 D383	R382-N387 WeakPolarHBondContact CD-O 3.38Å; R382-N387 WeakPolarHBondContact CG-O 3.44Å; D383-N387 WeakPolarHBondContact O-CA 3.33Å; D383-N387 PolarHBondContact O-N 2.92Å
388	A	81.3	Confident	86.7	Confident	52 Å²	52	53.3 Å²	53.3	43%	0.43	29%	0.294	S	S	.	.			trans	-67	142.6	172.3	0	0	0	0	0	110.3	R382 D383 T386	R382-A388 CarbonylContact C-O 3.59Å; R382-A388 WeakPolarHBondContact CA-O 3.34Å; D383-A388 PolarHBondContact N-O 2.75Å; T386-A388 PolarHBondContact O-N 3.44Å; T386-A388 VanDerWaalsContact O-N 3.15Å; T386-A388 WeakPolarHBondContact OG1-CB 3.28Å; T386-A388 PolarHBondContact OG1-N 2.68Å
389	S	83.9	Confident	86.7	Confident	15 Å²	15	55.1 Å²	55.1	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	141	177.4	70.1	0	0	0	0	111.1	D352 A353 S381 G391	D352-S389 PolarHBondContact O-OG 3.32Å; A353-S389 WeakPolarHBondContact CA-OG 3.31Å; A353-S389 PolarHBondContact O-OG 3.02Å; A353-S389 VanDerWaalsContact O-OG 3.09Å; S381-S389 CarbonylContact O-C 3.52Å; S381-S389 VanDerWaalsContact O-CA 3.26Å; S381-S389 WeakPolarHBondContact O-CA 3.4Å; S389-G391 PolarHBondContact O-N 3.31Å
390	R	81.8	Confident	86.6	Confident	117 Å²	117	56.3 Å²	56.3	44%	0.442	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	12.3	-176.9	-56.1	-177.4	76.7	152.9	5.8	113.2	E333 S381 I392	E333-R390 VanDerWaalsContact CD-NH2 3.32Å; E333-R390 IonicContact OE1-CZ 2.6Å; E333-R390 IonicContact OE1-NE 2.64Å; E333-R390 IonicContact OE1-NH2 2.64Å; E333-R390 PolarHBondContact OE1-NH2 2.74Å; E333-R390 WeakPolarHBondContact OE2-CB 3.38Å; E333-R390 IonicContact OE2-CZ 2.65Å; E333-R390 IonicContact OE2-NE 2.76Å; E333-R390 PolarHBondContact OE2-NE 2.9Å; E333-R390 IonicContact OE2-NH2 2.68Å; E333-R390 PolarHBondContact OE2-NH2 3.31Å; S381-R390 PolarHBondContact O-N 3.49Å; R390-I392 PolarHBondContact O-N 3.44Å
391	G	82.9	Confident	86.7	Confident	11 Å²	11	61.4 Å²	61.4	11%	0.113	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.1	12.2	-174	0	0	0	0	0	114.9	R349 G350 L351 S389	R349-G391 CarbonylContact C-O 3.56Å; R349-G391 WeakPolarHBondContact CA-O 3.11Å; G350-G391 PolarHBondContact N-O 2.98Å; L351-G391 PolarHBondContact N-O 3.09Å; L351-G391 VanDerWaalsContact N-O 3.08Å; L351-G391 WeakPolarHBondContact O-CA 3.49Å; S389-G391 PolarHBondContact O-N 3.31Å
392	I	88.2	Confident	86.9	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.046	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.6	-179.5	-42.4	166.5	0	0	0	110.4	E333 M347 L348 R349 S381 R390 Y394	E333-I392 HydrophobicContact CB-CD1 3.86Å; M347-I392 HydrophobicContact CE-CG2 3.93Å; M347-I392 HydrophobicContact CG-CG2 3.37Å; M347-I392 HydrophobicContact SD-CG2 3.81Å; L348-I392 CarbonylContact O-C 3.57Å; L348-I392 VanDerWaalsContact O-CA 3.28Å; L348-I392 WeakPolarHBondContact O-CA 3.46Å; L348-I392 WeakPolarHBondContact O-CG2 3.48Å; R349-I392 HydrophobicContact CG-CB 4.48Å; R349-I392 HydrophobicContact CG-CG1 4.17Å; R349-I392 HydrophobicContact CG-CG2 3.95Å; S381-I392 WeakPolarHBondContact CB-O 3.26Å; S381-I392 PolarHBondContact N-O 2.98Å; S381-I392 WeakPolarHBondContact OG-CB 3.42Å; S381-I392 PolarHBondContact OG-O 3.12Å; R390-I392 PolarHBondContact O-N 3.44Å; I392-Y394 HydrophobicContact CG2-CE1 4.38Å
393	C	89.4	Confident	87	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.1	172.3	-174.6	0	0	0	0	111.2	L348 L351 V360 V378 L379 V380	L348-C393 HydrophobicContact CB-CB 4.33Å; L348-C393 PolarHBondContact N-O 3.26Å; L348-C393 PolarHBondContact O-N 3Å; L351-C393 HydrophobicContact CD1-CB 3.39Å; V360-C393 HydrophobicContact CG2-CB 4.46Å; V378-C393 VanDerWaalsContact CG1-SG 3.52Å; L379-C393 CarbonylContact O-C 3.29Å; L379-C393 WeakPolarHBondContact O-CA 3.49Å; L379-C393 PolarHBondContact O-SG 3.03Å; L379-C393 VanDerWaalsContact O-SG 3.4Å; V380-C393 HydrophobicContact CG2-CB 4.01Å
394	Y	91.9	Very high	87.4	Confident	48 Å²	48	59 Å²	59	19%	0.188	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134	175	-52.9	-80.3	0	0	0	110.5	E337 I346 M347 V378 L379 I392	E337-Y394 PolarHBondContact OE2-OH 2.97Å; I346-Y394 CarbonylContact O-C 3.59Å; I346-Y394 WeakPolarHBondContact O-CA 3.35Å; M347-Y394 HydrophobicContact CB-CD1 4.45Å; M347-Y394 HydrophobicContact CE-CE1 3.54Å; M347-Y394 HydrophobicContact CG-CD1 4.4Å; M347-Y394 HydrophobicContact CG-CE1 4.14Å; V378-Y394 WeakPolarHBondContact CA-O 3.39Å; L379-Y394 PolarHBondContact N-O 2.64Å; L379-Y394 PolarHBondContact O-N 3.08Å; I392-Y394 HydrophobicContact CG2-CE1 4.38Å
395	L	92	Very high	87.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115	170.5	-50.4	178.2	0	0	0	107.9	K345 I346 L348 V360 L364 V375 K377 V378 F397	K345-L395 CarbonylContact C-O 3.42Å; K345-L395 VanDerWaalsContact CA-O 3.32Å; K345-L395 WeakPolarHBondContact CA-O 3.18Å; I346-L395 HydrophobicContact CB-CB 4.3Å; I346-L395 PolarHBondContact N-O 3.01Å; I346-L395 PolarHBondContact O-N 2.78Å; L348-L395 HydrophobicContact CD1-CD1 4.1Å; L348-L395 HydrophobicContact CD1-CD2 4.41Å; L348-L395 HydrophobicContact CD1-CG 4.33Å; L348-L395 HydrophobicContact CD2-CD1 4.45Å; L348-L395 HydrophobicContact CG-CD1 4.21Å; L348-L395 HydrophobicContact CG-CG 4.4Å; V360-L395 HydrophobicContact CG1-CD2 4.05Å; L364-L395 HydrophobicContact CD1-CD1 3.86Å; L364-L395 HydrophobicContact CD1-CD2 3.82Å; L364-L395 HydrophobicContact CD2-CD1 4.34Å; V375-L395 HydrophobicContact CG1-CB 4.38Å; V375-L395 HydrophobicContact CG1-CD2 4.38Å; K377-L395 WeakPolarHBondContact O-CA 3.28Å; V378-L395 HydrophobicContact CB-CD2 4.42Å; V378-L395 HydrophobicContact CG1-CD2 4.08Å; V378-L395 HydrophobicContact CG2-CD2 3.78Å; L395-F397 HydrophobicContact CB-CE2 3.6Å; L395-F397 HydrophobicContact CB-CZ 3.81Å; L395-F397 HydrophobicContact CD1-CZ 4.34Å; L395-F397 WeakPolarHBondContact O-CE2 3.16Å
396	N	91.6	Very high	88	Confident	33 Å²	33	50.4 Å²	50.4	18%	0.176	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.3	176	-62.6	-7.9	0	0	0	110.2	K345 S376 K377	K345-N396 WeakPolarHBondContact CD-OD1 3.35Å; K345-N396 HydrophobicContact CG-CB 4.5Å; K345-N396 WeakPolarHBondContact CG-OD1 3.22Å; S376-N396 WeakPolarHBondContact CB-O 3.45Å; S376-N396 PolarHBondContact N-O 2.88Å; K377-N396 HydrophobicContact CB-CB 3.99Å; K377-N396 PolarHBondContact N-O 3.14Å; K377-N396 PolarHBondContact O-N 3.03Å
397	F	91.3	Very high	88.2	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.7	179.3	-60.7	-85.6	0	0	0	110.5	K344 I346 T374 V375 L395 T399 D402 S403 V406	K344-F397 WeakPolarHBondContact O-CD2 3.48Å; K344-F397 PolarHBondContact O-N 2.9Å; I346-F397 HydrophobicContact CB-CE2 4.21Å; I346-F397 HydrophobicContact CD1-CD2 4.35Å; I346-F397 HydrophobicContact CD1-CE2 3.48Å; I346-F397 VanDerWaalsContact CD1-CE2 3.48Å; I346-F397 HydrophobicContact CD1-CZ 3.92Å; I346-F397 HydrophobicContact CG1-CD2 4.33Å; I346-F397 HydrophobicContact CG1-CE2 3.7Å; T374-F397 WeakPolarHBondContact O-CD1 3.43Å; V375-F397 HydrophobicContact CB-CE1 4.19Å; V375-F397 HydrophobicContact CG2-CE1 3.59Å; V375-F397 HydrophobicContact CG2-CZ 3.93Å; L395-F397 HydrophobicContact CB-CE2 3.6Å; L395-F397 HydrophobicContact CB-CZ 3.81Å; L395-F397 HydrophobicContact CD1-CZ 4.34Å; L395-F397 WeakPolarHBondContact O-CE2 3.16Å; F397-T399 WeakPolarHBondContact CB-O 3.3Å; F397-D402 HydrophobicContact CB-CB 4.24Å; F397-D402 HydrophobicContact CD1-CB 3.95Å; F397-D402 HydrophobicContact CG-CB 4.4Å; F397-S403 VanDerWaalsContact CD2-CB 3.46Å; F397-V406 HydrophobicContact CE1-CB 4.11Å; F397-V406 HydrophobicContact CE1-CG1 4.35Å; F397-V406 HydrophobicContact CE1-CG2 3.65Å; F397-V406 HydrophobicContact CZ-CB 3.93Å; F397-V406 HydrophobicContact CZ-CG1 3.83Å; F397-V406 HydrophobicContact CZ-CG2 3.98Å
398	D	88.3	Confident	88.6	Confident	106 Å²	106	45.9 Å²	45.9	57%	0.567	24%	0.241	S	C	*	.	S	Bend	trans	-73.9	-30.4	179.7	-62.1	-33.3	0	0	0	111.7	K344 S376	K344-D398 VanDerWaalsContact CE-O 3.32Å; K344-D398 WeakPolarHBondContact CE-O 3.23Å; K344-D398 PolarHBondContact NZ-O 2.79Å; S376-D398 WeakPolarHBondContact CB-OD1 3.41Å; S376-D398 PolarHBondContact OG-OD1 3.32Å
399	T	89.5	Confident	88.8	Confident	56 Å²	56	44.2 Å²	44.2	34%	0.344	23%	0.229	S	C	.	.	S	Bend	trans	-116.4	156.7	175.1	92	0	0	0	0	113	F397 I401 D402 S403	F397-T399 WeakPolarHBondContact CB-O 3.3Å; T399-I401 VanDerWaalsContact C-N 3.27Å; T399-I401 PolarHBondContact OG1-N 2.96Å; T399-D402 WeakPolarHBondContact CB-OD2 3.14Å; T399-D402 VanDerWaalsContact CG2-OD2 3.28Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.37Å; T399-D402 PolarHBondContact OG1-N 3.35Å; T399-D402 VanDerWaalsContact OG1-N 3.08Å; T399-D402 PolarHBondContact OG1-OD2 3.43Å; T399-S403 PolarHBondContact O-N 3.36Å
400	L	89.1	Confident	88.9	Confident	91 Å²	91	43.8 Å²	43.8	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-73.5	-18.6	171.8	-70.7	168.6	0	0	0	113	T343 K344 S403 M404	T343-L400 VanDerWaalsContact C-CD2 3.46Å; K344-L400 HydrophobicContact CB-CD2 4.44Å; K344-L400 HydrophobicContact CG-CD2 3.63Å; K344-L400 HydrophobicContact CG-CG 3.97Å; L400-S403 PolarHBondContact O-OG 2.05Å; L400-M404 VanDerWaalsContact O-CB 3.27Å; L400-M404 WeakPolarHBondContact O-CB 3.39Å; L400-M404 PolarHBondContact O-N 3.11Å; L400-M404 VanDerWaalsContact O-N 3.14Å
401	I	90.5	Very high	89.1	Confident	118 Å²	118	42.4 Å²	42.4	61%	0.605	23%	0.231	S	C	*	.	H	α-helix	trans	-77.4	-40.2	179.5	-62.1	174.2	0	0	0	109	T399 M404 N405	T399-I401 VanDerWaalsContact C-N 3.27Å; T399-I401 PolarHBondContact OG1-N 2.96Å; I401-M404 PolarHBondContact O-N 3.41Å; I401-N405 WeakPolarHBondContact O-CB 3.28Å; I401-N405 PolarHBondContact O-N 3.04Å; I401-N405 PolarHBondContact O-ND2 3.31Å
402	D	91.1	Very high	89.2	Confident	37 Å²	37	45.8 Å²	45.8	20%	0.198	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-45.6	176.8	-59.8	-49.4	0	0	0	111.8	T374 F397 T399 M404 N405 V406	T374-D402 HydrophobicContact CG2-CB 4.27Å; T374-D402 WeakPolarHBondContact CG2-OD1 3.47Å; F397-D402 HydrophobicContact CB-CB 4.24Å; F397-D402 HydrophobicContact CD1-CB 3.95Å; F397-D402 HydrophobicContact CG-CB 4.4Å; T399-D402 WeakPolarHBondContact CB-OD2 3.14Å; T399-D402 VanDerWaalsContact CG2-OD2 3.28Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.37Å; T399-D402 PolarHBondContact OG1-N 3.35Å; T399-D402 VanDerWaalsContact OG1-N 3.08Å; T399-D402 PolarHBondContact OG1-OD2 3.43Å; D402-M404 VanDerWaalsContact C-N 3.33Å; D402-M404 PolarHBondContact O-N 3.3Å; D402-N405 PolarHBondContact O-N 3.29Å; D402-V406 WeakPolarHBondContact O-CB 3.2Å; D402-V406 WeakPolarHBondContact O-CG2 3.3Å; D402-V406 PolarHBondContact O-N 2.83Å
403	S	90.3	Very high	88.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-39	175	67.8	0	0	0	0	112	T343 I346 F397 T399 L400 F407	T343-S403 VanDerWaalsContact O-CB 3.31Å; T343-S403 WeakPolarHBondContact O-CB 3.25Å; T343-S403 PolarHBondContact O-OG 3.32Å; I346-S403 WeakPolarHBondContact CD1-O 3.37Å; F397-S403 VanDerWaalsContact CD2-CB 3.46Å; T399-S403 PolarHBondContact O-N 3.36Å; L400-S403 PolarHBondContact O-OG 2.05Å; S403-F407 WeakPolarHBondContact O-CB 3.47Å; S403-F407 PolarHBondContact O-N 2.6Å
404	M	89.5	Confident	88.2	Confident	79 Å²	79	54.6 Å²	54.6	39%	0.389	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-44.6	173.8	-180	173.8	172.5	0	0	112.1	L342 L400 I401 D402 F407 N408	L342-M404 HydrophobicContact CD1-SD 4.21Å; L400-M404 VanDerWaalsContact O-CB 3.27Å; L400-M404 WeakPolarHBondContact O-CB 3.39Å; L400-M404 PolarHBondContact O-N 3.11Å; L400-M404 VanDerWaalsContact O-N 3.14Å; I401-M404 PolarHBondContact O-N 3.41Å; D402-M404 VanDerWaalsContact C-N 3.33Å; D402-M404 PolarHBondContact O-N 3.3Å; M404-F407 PolarHBondContact O-N 2.9Å; M404-N408 VanDerWaalsContact O-CB 3.3Å; M404-N408 WeakPolarHBondContact O-CB 3.45Å; M404-N408 PolarHBondContact O-N 3.24Å; M404-N408 PolarHBondContact O-ND2 2.91Å; M404-N408 VanDerWaalsContact O-ND2 3.16Å
405	N	90.6	Very high	87.3	Confident	68 Å²	68	56.1 Å²	56.1	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-43.5	179.2	-72.5	-20.4	0	0	0	111.8	L371 I401 D402 G409	L371-N405 HydrophobicContact CD1-CB 4.31Å; L371-N405 HydrophobicContact CD2-CB 4Å; I401-N405 WeakPolarHBondContact O-CB 3.28Å; I401-N405 PolarHBondContact O-N 3.04Å; I401-N405 PolarHBondContact O-ND2 3.31Å; D402-N405 PolarHBondContact O-N 3.29Å; N405-G409 PolarHBondContact O-N 3.22Å
406	V	89.5	Confident	86.6	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-67.4	-43.5	176.9	173.8	0	0	0	0	111.2	I346 L371 F397 D402 N408 G409 L410	I346-V406 HydrophobicContact CD1-CB 3.96Å; I346-V406 HydrophobicContact CD1-CG1 3.79Å; L371-V406 HydrophobicContact CB-CG2 3.68Å; L371-V406 HydrophobicContact CD1-CG2 4.4Å; F397-V406 HydrophobicContact CE1-CB 4.11Å; F397-V406 HydrophobicContact CE1-CG1 4.35Å; F397-V406 HydrophobicContact CE1-CG2 3.65Å; F397-V406 HydrophobicContact CZ-CB 3.93Å; F397-V406 HydrophobicContact CZ-CG1 3.83Å; F397-V406 HydrophobicContact CZ-CG2 3.98Å; D402-V406 WeakPolarHBondContact O-CB 3.2Å; D402-V406 WeakPolarHBondContact O-CG2 3.3Å; D402-V406 PolarHBondContact O-N 2.83Å; V406-N408 PolarHBondContact O-N 3.17Å; V406-G409 PolarHBondContact O-N 2.95Å; V406-L410 HydrophobicContact CG1-CD1 3.83Å; V406-L410 HydrophobicContact CG1-CG 4.19Å; V406-L410 WeakPolarHBondContact O-CB 3.42Å; V406-L410 VanDerWaalsContact O-CG 3.27Å; V406-L410 WeakPolarHBondContact O-CG 3.35Å; V406-L410 PolarHBondContact O-N 3.46Å
407	F	89.5	Confident	86	Confident	39 Å²	39	58.2 Å²	58.2	17%	0.171	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-46.7	176.4	-179.1	-88.4	0	0	0	111.8	I346 S403 M404 L410 T411 V426 Y428	I346-F407 HydrophobicContact CD1-CB 3.98Å; I346-F407 HydrophobicContact CG2-CD2 4.5Å; S403-F407 WeakPolarHBondContact O-CB 3.47Å; S403-F407 PolarHBondContact O-N 2.6Å; M404-F407 PolarHBondContact O-N 2.9Å; F407-L410 PolarHBondContact O-N 3.35Å; F407-T411 VanDerWaalsContact O-CB 3.26Å; F407-T411 WeakPolarHBondContact O-CB 3.37Å; F407-T411 PolarHBondContact O-N 2.93Å; F407-T411 PolarHBondContact O-OG1 3.15Å; F407-V426 HydrophobicContact CD2-CG1 3.78Å; F407-V426 HydrophobicContact CE2-CG1 3.99Å; F407-Y428 HydrophobicContact CB-CE1 4.09Å; F407-Y428 HydrophobicContact CB-CE2 4.21Å; F407-Y428 VanDerWaalsContact CB-OH 3.23Å; F407-Y428 WeakPolarHBondContact CB-OH 3.49Å; F407-Y428 AromaticContact CD1-CE2 3.54Å; F407-Y428 HydrophobicContact CD1-CE2 3.54Å; F407-Y428 AromaticContact CD1-CZ 3.73Å; F407-Y428 WeakPolarHBondContact CD1-OH 3.31Å; F407-Y428 AromaticContact CD2-CD2 3.96Å; F407-Y428 HydrophobicContact CD2-CD2 3.96Å; F407-Y428 HydrophobicContact CD2-CE1 4.33Å; F407-Y428 AromaticContact CD2-CE2 3.58Å; F407-Y428 HydrophobicContact CD2-CE2 3.58Å; F407-Y428 HydrophobicContact CD2-CG 4.46Å; F407-Y428 AromaticContact CD2-CZ 3.79Å; F407-Y428 AromaticContact CE1-CE2 3.73Å; F407-Y428 HydrophobicContact CE1-CE2 3.73Å; F407-Y428 AromaticContact CE2-CD2 3.9Å; F407-Y428 HydrophobicContact CE2-CD2 3.9Å; F407-Y428 AromaticContact CE2-CE2 3.78Å; F407-Y428 HydrophobicContact CE2-CE2 3.78Å; F407-Y428 HydrophobicContact CG-CD2 4.31Å; F407-Y428 HydrophobicContact CG-CE1 4.18Å; F407-Y428 AromaticContact CG-CE2 3.47Å; F407-Y428 HydrophobicContact CG-CE2 3.47Å; F407-Y428 VanDerWaalsContact CG-CE2 3.47Å; F407-Y428 AromaticContact CG-CZ 3.4Å; F407-Y428 VanDerWaalsContact CG-OH 3.32Å; F407-Y428 WeakPolarHBondContact CG-OH 3.44Å; F407-Y428 HydrophobicContact CZ-CD2 4.2Å; F407-Y428 AromaticContact CZ-CE2 3.85Å; F407-Y428 HydrophobicContact CZ-CE2 3.85Å
408	N	88.5	Confident	85.5	Confident	75 Å²	75	61 Å²	61	40%	0.401	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-45.6	177	-70	-21.5	0	0	0	111.1	M404 V406 L410 T411 A412	M404-N408 VanDerWaalsContact O-CB 3.3Å; M404-N408 WeakPolarHBondContact O-CB 3.45Å; M404-N408 PolarHBondContact O-N 3.24Å; M404-N408 PolarHBondContact O-ND2 2.91Å; M404-N408 VanDerWaalsContact O-ND2 3.16Å; V406-N408 PolarHBondContact O-N 3.17Å; N408-L410 PolarHBondContact O-N 3.47Å; N408-T411 PolarHBondContact O-N 2.76Å; N408-A412 VanDerWaalsContact O-CB 3.24Å; N408-A412 WeakPolarHBondContact O-CB 3.19Å; N408-A412 PolarHBondContact O-N 3.03Å
409	G	86.5	Confident	85.2	Confident	18 Å²	18	56.7 Å²	56.7	19%	0.186	33%	0.33	C	S	.	.	H	α-helix	trans	-59.5	-43.6	177.4	0	0	0	0	0	112.8	N405 V406 L413	N405-G409 PolarHBondContact O-N 3.22Å; V406-G409 PolarHBondContact O-N 2.95Å; G409-L413 WeakPolarHBondContact O-CG 3.48Å; G409-L413 PolarHBondContact O-N 3.42Å
410	L	85.6	Confident	84.5	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-70.7	-36.7	177.4	-70.9	178.3	0	0	0	113.2	L348 L364 L368 V406 F407 N408 A412 L413 L417 V426	L348-L410 HydrophobicContact CD2-CD1 4.25Å; L364-L410 HydrophobicContact CD2-CD1 3.98Å; L364-L410 HydrophobicContact CD2-CD2 3.87Å; L364-L410 HydrophobicContact CD2-CG 4.43Å; L368-L410 HydrophobicContact CD1-CD2 3.67Å; L368-L410 HydrophobicContact CD1-CG 3.82Å; V406-L410 HydrophobicContact CG1-CD1 3.83Å; V406-L410 HydrophobicContact CG1-CG 4.19Å; V406-L410 WeakPolarHBondContact O-CB 3.42Å; V406-L410 VanDerWaalsContact O-CG 3.27Å; V406-L410 WeakPolarHBondContact O-CG 3.35Å; V406-L410 PolarHBondContact O-N 3.46Å; F407-L410 PolarHBondContact O-N 3.35Å; N408-L410 PolarHBondContact O-N 3.47Å; L410-A412 VanDerWaalsContact C-N 3.3Å; L410-L413 HydrophobicContact CD2-CD1 3.93Å; L410-L413 PolarHBondContact O-N 3.21Å; L410-L417 HydrophobicContact CD2-CD2 4.23Å; L410-V426 HydrophobicContact CB-CG1 4.33Å; L410-V426 HydrophobicContact CB-CG2 4.15Å; L410-V426 HydrophobicContact CD1-CG1 4.15Å; L410-V426 HydrophobicContact CD1-CG2 4.39Å
411	T	85.3	Confident	83.9	Confident	89 Å²	89	62.4 Å²	62.4	55%	0.546	36%	0.359	S	S	.	.	H	α-helix	trans	-74.1	-23.8	178.7	-54.6	0	0	0	0	112	F407 N408	F407-T411 VanDerWaalsContact O-CB 3.26Å; F407-T411 WeakPolarHBondContact O-CB 3.37Å; F407-T411 PolarHBondContact O-N 2.93Å; F407-T411 PolarHBondContact O-OG1 3.15Å; N408-T411 PolarHBondContact O-N 2.76Å
412	A	84.7	Confident	83.3	Confident	82 Å²	82	61 Å²	61	68%	0.678	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	3.2	176.1	0	0	0	0	0	114.2	N408 L410 D414	N408-A412 VanDerWaalsContact O-CB 3.24Å; N408-A412 WeakPolarHBondContact O-CB 3.19Å; N408-A412 PolarHBondContact O-N 3.03Å; L410-A412 VanDerWaalsContact C-N 3.3Å; A412-D414 PolarHBondContact O-N 3.31Å
413	L	79.8	Confident	82.9	Confident	36 Å²	36	63.8 Å²	63.8	19%	0.188	37%	0.367	C	S	.	.			trans	-70.8	121.8	174.5	-65.2	179.8	0	0	0	110.8	R367 G409 L410 P415 P416 L417	R367-L413 HydrophobicContact CB-CD1 4.02Å; R367-L413 HydrophobicContact CB-CD2 4.32Å; R367-L413 HydrophobicContact CG-CD1 4.16Å; G409-L413 WeakPolarHBondContact O-CG 3.48Å; G409-L413 PolarHBondContact O-N 3.42Å; L410-L413 HydrophobicContact CD2-CD1 3.93Å; L410-L413 PolarHBondContact O-N 3.21Å; L413-P415 CarbonylContact C-O 3.29Å; L413-P415 CarbonylContact O-C 3.43Å; L413-P415 VanDerWaalsContact O-C 3.29Å; L413-P416 VanDerWaalsContact O-CA 3.32Å; L413-P416 WeakPolarHBondContact O-CA 3.33Å; L413-L417 HydrophobicContact CD1-CB 4.15Å; L413-L417 HydrophobicContact CD1-CD1 4.23Å
414	D	76.3	Confident	82.7	Confident	158 Å²	158	64.4 Å²	64.4	85%	0.845	37%	0.37	S	S	*	.	S	Bend	trans	-121.8	114.1	166.1	-171.6	19.1	0	0	0	108.8	A412	A412-D414 PolarHBondContact O-N 3.31Å
415	P	73.7	Confident	82.4	Confident	79 Å²	79	63.1 Å²	63.1	51%	0.513	36%	0.364	S	S	.	.	S	Bend	cis	-66.3	156.4	-3.1	30.2	-36.8	0	0	0	112.9	L413	L413-P415 CarbonylContact C-O 3.29Å; L413-P415 CarbonylContact O-C 3.43Å; L413-P415 VanDerWaalsContact O-C 3.29Å
416	P	77	Confident	82.4	Confident	72 Å²	72	61 Å²	61	47%	0.468	35%	0.354	S	S	.	.			trans	-60.9	157.8	178.8	26.6	-36.2	0	0	0	112.1	L413 T418	L413-P416 VanDerWaalsContact O-CA 3.32Å; L413-P416 WeakPolarHBondContact O-CA 3.33Å; P416-T418 PolarHBondContact O-N 3.13Å
417	L	78.8	Confident	82.3	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.026	36%	0.355	C	S	.	.			trans	-54.4	112.8	-177.4	-174.2	71.2	0	0	0	111.5	A363 R367 L410 L413 V424	A363-L417 HydrophobicContact CB-CD1 4.45Å; R367-L417 HydrophobicContact CG-CD1 4.13Å; L410-L417 HydrophobicContact CD2-CD2 4.23Å; L413-L417 HydrophobicContact CD1-CB 4.15Å; L413-L417 HydrophobicContact CD1-CD1 4.23Å; L417-V424 HydrophobicContact CB-CB 4.44Å; L417-V424 HydrophobicContact CD2-CB 4.15Å; L417-V424 HydrophobicContact CD2-CG1 4.36Å; L417-V424 HydrophobicContact CD2-CG2 4.26Å; L417-V424 HydrophobicContact CG-CB 4.42Å; L417-V424 HydrophobicContact CG-CG2 4.34Å; L417-V424 PolarHBondContact O-N 3.41Å
418	T	81.7	Confident	82.3	Confident	66 Å²	66	60.2 Å²	60.2	41%	0.405	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.7	168	48.5	0	0	0	0	110.9	P416 K422 T423	P416-T418 PolarHBondContact O-N 3.13Å; T418-K422 CarbonylContact C-O 3.53Å; T418-K422 VanDerWaalsContact CA-O 3.25Å; T418-K422 WeakPolarHBondContact CA-O 3.46Å; T418-T423 HydrophobicContact CG2-CG2 3.96Å
419	L	81.7	Confident	82.3	Confident	15 Å²	15	57 Å²	57	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.4	171.1	-91.5	171.1	0	0	0	107.5	L351 V360 A363 D421 K422 V424	L351-L419 HydrophobicContact CD2-CB 4.2Å; L351-L419 HydrophobicContact CD2-CD1 3.52Å; L351-L419 HydrophobicContact CD2-CG 4.5Å; V360-L419 HydrophobicContact CG2-CD1 4.1Å; A363-L419 HydrophobicContact CB-CD1 4.42Å; A363-L419 HydrophobicContact CB-CD2 3.51Å; A363-L419 HydrophobicContact CB-CG 4.03Å; L419-D421 VanDerWaalsContact C-N 3.33Å; L419-D421 PolarHBondContact O-N 3.21Å; L419-K422 PolarHBondContact N-O 3.47Å; L419-K422 WeakPolarHBondContact O-CB 3.44Å; L419-K422 PolarHBondContact O-N 3.07Å; L419-V424 HydrophobicContact CB-CG2 3.93Å; L419-V424 HydrophobicContact CD1-CG2 4.23Å; L419-V424 HydrophobicContact CG-CG2 4.39Å
420	D	75.3	Confident	82	Confident	94 Å²	94	58.6 Å²	58.6	50%	0.503	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	53.7	-179.2	-55.2	-21.1	0	0	0	112.8	D352 T355 K422	D352-D420 HydrophobicContact CB-CB 4.04Å; T355-D420 WeakPolarHBondContact CG2-OD2 3.25Å; D420-K422 PolarHBondContact O-N 3.29Å
421	D	76.3	Confident	81.2	Confident	173 Å²	173	59 Å²	59	93%	0.925	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	10	-175.8	-63.7	-32.2	0	0	0	116.5	L419	L419-D421 VanDerWaalsContact C-N 3.33Å; L419-D421 PolarHBondContact O-N 3.21Å
422	K	78.7	Confident	80.2	Confident	89 Å²	89	58.9 Å²	58.9	39%	0.387	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.9	174.8	-66	-179.6	177.9	177.3	0	112.2	D352 T418 L419 D420	D352-K422 HydrophobicContact CB-CD 3.98Å; D352-K422 WeakPolarHBondContact OD1-CE 3.41Å; D352-K422 IonicContact OD1-NZ 2.67Å; D352-K422 PolarHBondContact OD1-NZ 3.31Å; T418-K422 CarbonylContact C-O 3.53Å; T418-K422 VanDerWaalsContact CA-O 3.25Å; T418-K422 WeakPolarHBondContact CA-O 3.46Å; L419-K422 PolarHBondContact N-O 3.47Å; L419-K422 WeakPolarHBondContact O-CB 3.44Å; L419-K422 PolarHBondContact O-N 3.07Å; D420-K422 PolarHBondContact O-N 3.29Å
423	T	81.6	Confident	78.8	Confident	95 Å²	95	61.9 Å²	61.9	58%	0.583	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.3	174.5	44.1	0	0	0	0	110.9	T418	T418-T423 HydrophobicContact CG2-CG2 3.96Å
424	V	85.4	Confident	77.4	Confident	13 Å²	13	64.7 Å²	64.7	8%	0.079	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-89.5	131.3	-173.9	-173.1	0	0	0	0	110.7	L348 L351 L417 L419	L348-V424 HydrophobicContact CB-CG1 3.8Å; L348-V424 HydrophobicContact CD2-CG1 4.07Å; L348-V424 HydrophobicContact CG-CG1 4.38Å; L351-V424 HydrophobicContact CD2-CG1 4Å; L351-V424 HydrophobicContact CD2-CG2 3.73Å; L417-V424 HydrophobicContact CB-CB 4.44Å; L417-V424 HydrophobicContact CD2-CB 4.15Å; L417-V424 HydrophobicContact CD2-CG1 4.36Å; L417-V424 HydrophobicContact CD2-CG2 4.26Å; L417-V424 HydrophobicContact CG-CB 4.42Å; L417-V424 HydrophobicContact CG-CG2 4.34Å; L417-V424 PolarHBondContact O-N 3.41Å; L419-V424 HydrophobicContact CB-CG2 3.93Å; L419-V424 HydrophobicContact CD1-CG2 4.23Å; L419-V424 HydrophobicContact CG-CG2 4.39Å
425	I	85.1	Confident	76	Confident	51 Å²	51	64 Å²	64	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.6	172.5	-56.7	177.6	0	0	0	108.5	L348 R349	L348-I425 WeakPolarHBondContact CA-O 3.32Å; R349-I425 HydrophobicContact CB-CB 4.43Å; R349-I425 PolarHBondContact N-O 3.12Å; R349-I425 PolarHBondContact O-N 2.82Å
426	V	88.6	Confident	74.5	Confident	24 Å²	24	65.7 Å²	65.7	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.6	179.7	-169.8	0	0	0	0	109.2	I346 L348 F407 L410	I346-V426 HydrophobicContact CG2-CG1 3.61Å; L348-V426 HydrophobicContact CD2-CB 4.38Å; L348-V426 HydrophobicContact CD2-CG1 4.11Å; L348-V426 HydrophobicContact CD2-CG2 3.86Å; F407-V426 HydrophobicContact CD2-CG1 3.78Å; F407-V426 HydrophobicContact CE2-CG1 3.99Å; L410-V426 HydrophobicContact CB-CG1 4.33Å; L410-V426 HydrophobicContact CB-CG2 4.15Å; L410-V426 HydrophobicContact CD1-CG1 4.15Å; L410-V426 HydrophobicContact CD1-CG2 4.39Å
427	T	88.6	Confident	72.7	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.049	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.9	-177.6	22.3	0	0	0	0	110.6	K302 I338 I346 M347 R349	K302-T427 WeakPolarHBondContact O-CG2 3.35Å; I338-T427 HydrophobicContact CD1-CG2 4.31Å; I338-T427 HydrophobicContact CG1-CG2 4.25Å; I338-T427 HydrophobicContact CG2-CG2 3.75Å; I346-T427 WeakPolarHBondContact CG2-O 3.45Å; M347-T427 PolarHBondContact N-O 2.94Å; M347-T427 PolarHBondContact O-N 3.19Å; M347-T427 PolarHBondContact O-OG1 3.4Å; R349-T427 PolarHBondContact NE-OG1 3.45Å; R349-T427 PolarHBondContact NH2-OG1 3.39Å
428	Y	90.2	Very high	70.7	Confident	17 Å²	17	74.7 Å²	74.7	7%	0.067	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.4	166.1	-69.4	-81.5	0	0	0	109.9	S339 L342 F407	S339-Y428 PolarHBondContact N-O 2.92Å; L342-Y428 HydrophobicContact CD2-CD2 4.41Å; L342-Y428 HydrophobicContact CD2-CE1 4.15Å; L342-Y428 HydrophobicContact CD2-CE2 3.61Å; L342-Y428 VanDerWaalsContact CD2-CZ 3.45Å; L342-Y428 WeakPolarHBondContact CD2-OH 3.36Å; F407-Y428 HydrophobicContact CB-CE1 4.09Å; F407-Y428 HydrophobicContact CB-CE2 4.21Å; F407-Y428 VanDerWaalsContact CB-OH 3.23Å; F407-Y428 WeakPolarHBondContact CB-OH 3.49Å; F407-Y428 AromaticContact CD1-CE2 3.54Å; F407-Y428 HydrophobicContact CD1-CE2 3.54Å; F407-Y428 AromaticContact CD1-CZ 3.73Å; F407-Y428 WeakPolarHBondContact CD1-OH 3.31Å; F407-Y428 AromaticContact CD2-CD2 3.96Å; F407-Y428 HydrophobicContact CD2-CD2 3.96Å; F407-Y428 HydrophobicContact CD2-CE1 4.33Å; F407-Y428 AromaticContact CD2-CE2 3.58Å; F407-Y428 HydrophobicContact CD2-CE2 3.58Å; F407-Y428 HydrophobicContact CD2-CG 4.46Å; F407-Y428 AromaticContact CD2-CZ 3.79Å; F407-Y428 AromaticContact CE1-CE2 3.73Å; F407-Y428 HydrophobicContact CE1-CE2 3.73Å; F407-Y428 AromaticContact CE2-CD2 3.9Å; F407-Y428 HydrophobicContact CE2-CD2 3.9Å; F407-Y428 AromaticContact CE2-CE2 3.78Å; F407-Y428 HydrophobicContact CE2-CE2 3.78Å; F407-Y428 HydrophobicContact CG-CD2 4.31Å; F407-Y428 HydrophobicContact CG-CE1 4.18Å; F407-Y428 AromaticContact CG-CE2 3.47Å; F407-Y428 HydrophobicContact CG-CE2 3.47Å; F407-Y428 VanDerWaalsContact CG-CE2 3.47Å; F407-Y428 AromaticContact CG-CZ 3.4Å; F407-Y428 VanDerWaalsContact CG-OH 3.32Å; F407-Y428 WeakPolarHBondContact CG-OH 3.44Å; F407-Y428 HydrophobicContact CZ-CD2 4.2Å; F407-Y428 AromaticContact CZ-CE2 3.85Å; F407-Y428 HydrophobicContact CZ-CE2 3.85Å
429	C	87.2	Confident	68.4	Low	7 Å²	7	77.1 Å²	77.1	5%	0.047	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143.6	175.7	-166.8	0	0	0	0	110.2	E337 T343 K345 M347 D431	E337-C429 CarbonylContact O-C 3.39Å; E337-C429 WeakPolarHBondContact O-CA 3.4Å; T343-C429 WeakPolarHBondContact CB-O 3.47Å; T343-C429 VanDerWaalsContact CG2-O 3.29Å; T343-C429 WeakPolarHBondContact CG2-O 3.28Å; T343-C429 PolarHBondContact OG1-O 2.91Å; K345-C429 HydrophobicContact CB-CB 4Å; K345-C429 VanDerWaalsContact O-CB 3.32Å; K345-C429 WeakPolarHBondContact O-CB 3.42Å; K345-C429 PolarHBondContact O-N 3.41Å; M347-C429 HydrophobicContact CB-CB 4.14Å; C429-D431 PolarHBondContact O-N 3.02Å; C429-D431 VanDerWaalsContact O-N 3.16Å
430	I	80.8	Confident	66	Low	53 Å²	53	81.1 Å²	81.1	27%	0.272	44%	0.435	S	S	.	.			trans	-63.5	115.1	163.3	-64.8	173.7	0	0	0	106.5	E337 S432 R435	E337-I430 PolarHBondContact O-N 3.39Å; I430-S432 PolarHBondContact O-N 3.11Å; I430-R435 HydrophobicContact CG2-CG 3.85Å
431	D	69.2	Low	64	Low	12 Å²	12	86 Å²	86	6%	0.064	46%	0.455	C	S	.	.			trans	-76.3	117.5	179.3	-162.9	-32	0	0	0	109.5	K345 C429 E433 N434 R435	K345-D431 HydrophobicContact CD-CB 4.41Å; K345-D431 VanDerWaalsContact CD-OD2 3.31Å; K345-D431 WeakPolarHBondContact CD-OD2 3.48Å; K345-D431 WeakPolarHBondContact CE-OD1 3.45Å; K345-D431 WeakPolarHBondContact CE-OD2 3.34Å; K345-D431 WeakPolarHBondContact CG-OD2 3.39Å; K345-D431 VanDerWaalsContact NZ-CG 3.33Å; K345-D431 IonicContact NZ-OD1 2.59Å; K345-D431 PolarHBondContact NZ-OD1 3.5Å; K345-D431 IonicContact NZ-OD2 2.69Å; K345-D431 PolarHBondContact NZ-OD2 3.44Å; C429-D431 PolarHBondContact O-N 3.02Å; C429-D431 VanDerWaalsContact O-N 3.16Å; D431-E433 PolarHBondContact O-N 3.2Å; D431-E433 VanDerWaalsContact O-N 3.14Å; D431-E433 PolarHBondContact OD1-N 2.85Å; D431-E433 VanDerWaalsContact OD1-N 3.07Å; D431-N434 HydrophobicContact CB-CB 4.31Å; D431-N434 CarbonylContact O-C 3.57Å; D431-N434 WeakPolarHBondContact O-CA 3.24Å; D431-N434 PolarHBondContact O-N 3.08Å; D431-R435 PolarHBondContact O-N 2.96Å
432	S	62.8	Low	61.9	Low	88 Å²	88	80.2 Å²	80.2	62%	0.615	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	179.5	-66.7	0	0	0	0	113.7	I430	I430-S432 PolarHBondContact O-N 3.11Å
433	E	56.2	Low	59.7	Low	145 Å²	145	84 Å²	84	68%	0.678	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-33.4	171.2	-69.9	153.1	-128.7	0	0	111.4	K345 D431	K345-E433 IonicContact NZ-OE1 3.42Å; K345-E433 PolarHBondContact NZ-OE1 2.82Å; K345-E433 IonicContact NZ-OE2 2.64Å; D431-E433 PolarHBondContact O-N 3.2Å; D431-E433 VanDerWaalsContact O-N 3.14Å; D431-E433 PolarHBondContact OD1-N 2.85Å; D431-E433 VanDerWaalsContact OD1-N 3.07Å
434	N	50.8	Low	57.4	Low	95 Å²	95	88.9 Å²	88.9	51%	0.508	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-90.3	1	174.9	-98.4	11.3	0	0	0	114.5	D431 Q436 M437	D431-N434 HydrophobicContact CB-CB 4.31Å; D431-N434 CarbonylContact O-C 3.57Å; D431-N434 WeakPolarHBondContact O-CA 3.24Å; D431-N434 PolarHBondContact O-N 3.08Å; N434-Q436 PolarHBondContact O-N 2.64Å; N434-M437 PolarHBondContact O-N 3.32Å
435	R	46.9	Very low	54.9	Low	144 Å²	144	98.3 Å²	98.3	54%	0.543	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-58.8	-15.2	171.9	-87.3	-174.3	176.4	-114.1	3.1	113.2	I430 D431 M437	I430-R435 HydrophobicContact CG2-CG 3.85Å; D431-R435 PolarHBondContact O-N 2.96Å; R435-M437 VanDerWaalsContact C-N 3.32Å
436	Q	42.5	Very low	52.6	Low	114 Å²	114	107.7 Å²	107.7	53%	0.533	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-77.4	-9.9	172.2	-58.8	-170.7	7.7	0	0	114.5	N434 A459	N434-Q436 PolarHBondContact O-N 2.64Å; Q436-A459 HydrophobicContact CB-CB 4.38Å
437	M	39.3	Very low	49.8	Very low	146 Å²	146	111.8 Å²	111.8	72%	0.719	58%	0.584	S	S	*	*	S	Bend	trans	-109.7	1.1	-178.6	-58.4	-148.5	84.4	0	0	114.5	N434 R435	N434-M437 PolarHBondContact O-N 3.32Å; R435-M437 VanDerWaalsContact C-N 3.32Å
438	M	35.6	Very low	47.1	Very low	119 Å²	119	114.5 Å²	114.5	59%	0.586	61%	0.614	S	S	*	*	S	Bend	trans	-115.9	103.6	178.8	-65.5	-63.4	-70.7	0	0	109.6	I341 A440	I341-M438 HydrophobicContact CD1-CE 3.72Å; I341-M438 HydrophobicContact CD1-SD 3.89Å; M438-A440 PolarHBondContact O-N 2.59Å
439	P	33.3	Very low	44.5	Very low	117 Å²	117	122.5 Å²	122.5	76%	0.76	65%	0.651	S	S	*	*			trans	-59.2	127.1	171.2	-21.2	32.7	0	0	0	109.9	E441	P439-E441 PolarHBondContact O-N 2.81Å; P439-E441 VanDerWaalsContact O-N 3.08Å
440	A	31.2	Very low	41.9	Very low	99 Å²	99	128.8 Å²	128.8	82%	0.818	69%	0.69	S	S	*	*	S	Bend	trans	-77	90.8	168.9	0	0	0	0	0	108.9	M438	M438-A440 PolarHBondContact O-N 2.59Å
441	E	34	Very low	39.7	Very low	196 Å²	196	131.1 Å²	131.1	92%	0.916	72%	0.717	S	S	*	*			trans	-174.8	173.3	145.1	-106.2	169.8	-137.7	0	0	112.5	P439	P439-E441 PolarHBondContact O-N 2.81Å; P439-E441 VanDerWaalsContact O-N 3.08Å
442	G	32.3	Very low	38.2	Very low	53 Å²	53	137.2 Å²	137.2	55%	0.546	75%	0.747	S	S	.	*			trans	-93	159.7	-161.8	0	0	0	0	0	117.1
443	N	31.3	Very low	37.1	Very low	169 Å²	169	136.7 Å²	136.7	90%	0.904	74%	0.743	S	S	*	*			trans	52.8	61.3	154.2	-69.7	-4.1	0	0	0	118.5
444	F	35.1	Very low	36.4	Very low	196 Å²	196	131.6 Å²	131.6	86%	0.86	72%	0.723	S	S	*	*			trans	-116	97.7	161.3	-83.9	-85.9	0	0	0	113.3
445	F	32.5	Very low	36.4	Very low	211 Å²	211	131.1 Å²	131.1	93%	0.925	73%	0.727	S	S	*	*			trans	-126.3	81.4	163.9	-92.9	-67.6	0	0	0	110.6
446	R	36.2	Very low	36.1	Very low	248 Å²	248	128.2 Å²	128.2	94%	0.936	73%	0.733	S	S	*	*			trans	-171.3	143.8	139.2	-105	164.2	-171.6	-140	-2.2	110.3
447	A	30.8	Very low	36.2	Very low	110 Å²	110	124.8 Å²	124.8	91%	0.909	72%	0.718	S	S	*	*			trans	-90.6	153.2	-172.3	0	0	0	0	0	112.6
448	G	30.2	Very low	36.5	Very low	66 Å²	66	124.2 Å²	124.2	68%	0.68	72%	0.723	S	S	*	*			trans	178.7	104	173.9	0	0	0	0	0	111.5
449	E	35.9	Very low	37.1	Very low	184 Å²	184	119.7 Å²	119.7	86%	0.86	71%	0.705	S	S	*	*			trans	45	105.9	148.1	-66.8	166.8	141.9	0	0	120.6
450	T	33.6	Very low	38.4	Very low	140 Å²	140	117.9 Å²	117.9	86%	0.859	70%	0.699	S	S	*	*			trans	44	89.5	135.6	52.9	0	0	0	0	120.2
451	A	34.2	Very low	40.4	Very low	101 Å²	101	117.4 Å²	117.4	84%	0.835	68%	0.677	S	S	*	*				-170.8	125.6	127.6	0	0	0	0	0	109.9
452	M	38.5	Very low	42.9	Very low	141 Å²	141	111.6 Å²	111.6	70%	0.695	66%	0.655	S	S	*	*			trans	-87.2	124.4	168.6	-63	-121.6	82.4	0	0	108.8	Y477	M452-Y477 PolarHBondContact O-OH 2.91Å
453	S	38.8	Very low	45.4	Very low	77 Å²	77	114.6 Å²	114.6	54%	0.538	66%	0.658	S	S	.	*			trans	-81.6	140.5	172	175.9	0	0	0	0	109.9	S455	S453-S455 PolarHBondContact O-N 3.04Å
454	P	42.4	Very low	48	Very low	38 Å²	38	110.5 Å²	110.5	25%	0.247	65%	0.648	C	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-5.3	-176.2	32.3	-32.6	0	0	0	112.6	A456 I457 Y477 Y491	P454-A456 VanDerWaalsContact C-N 3.31Å; P454-A456 PolarHBondContact O-N 3.49Å; P454-I457 WeakPolarHBondContact O-CD1 3.35Å; P454-I457 WeakPolarHBondContact O-CG1 3.15Å; P454-Y477 WeakPolarHBondContact CD-OH 3.42Å; P454-Y491 HydrophobicContact CB-CE1 4.35Å
455	S	48.9	Very low	50.6	Low	84 Å²	84	103.5 Å²	103.5	59%	0.587	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	1.6	-177.3	-51.2	0	0	0	0	115.2	S453 I457	S453-S455 PolarHBondContact O-N 3.04Å; S455-I457 PolarHBondContact O-N 3.49Å
456	A	42.4	Very low	53.3	Low	83 Å²	83	93.9 Å²	93.9	69%	0.686	58%	0.578	S	S	*	*			trans	-79.3	40.4	-178.7	0	0	0	0	0	113.9	P454 T458	P454-A456 VanDerWaalsContact C-N 3.31Å; P454-A456 PolarHBondContact O-N 3.49Å; A456-T458 PolarHBondContact O-N 3.26Å
457	I	43.4	Very low	55.9	Low	43 Å²	43	85.9 Å²	85.9	22%	0.221	56%	0.558	C	S	.	*			trans	-97.7	66.9	-167.1	-45.7	161.7	0	0	0	110.9	P454 S455 Y461 Y494 Y495	P454-I457 WeakPolarHBondContact O-CD1 3.35Å; P454-I457 WeakPolarHBondContact O-CG1 3.15Å; S455-I457 PolarHBondContact O-N 3.49Å; I457-Y461 HydrophobicContact CG2-CD2 3.78Å; I457-Y461 HydrophobicContact CG2-CE2 4.13Å; I457-Y494 HydrophobicContact CD1-CD1 4.49Å; I457-Y494 HydrophobicContact CD1-CE1 3.66Å; I457-Y495 HydrophobicContact CD1-CD1 3.97Å; I457-Y495 HydrophobicContact CD1-CE1 3.4Å; I457-Y495 VanDerWaalsContact CD1-CE1 3.4Å; I457-Y495 HydrophobicContact CG1-CE1 4Å
458	T	46.2	Very low	58.7	Low	133 Å²	133	89.4 Å²	89.4	82%	0.816	55%	0.548	S	S	*	.			trans	-115.2	9.1	173.9	42.8	0	0	0	0	114	A456	A456-T458 PolarHBondContact O-N 3.26Å
459	A	48.4	Very low	61.5	Low	25 Å²	25	86.9 Å²	86.9	21%	0.207	52%	0.519	C	S	.	.	S	Bend	trans	-78.9	147.4	158.1	0	0	0	0	0	110.2	Q436 Y461	Q436-A459 HydrophobicContact CB-CB 4.38Å; A459-Y461 VanDerWaalsContact C-N 3.27Å; A459-Y461 HydrophobicContact CB-CD2 4.26Å; A459-Y461 HydrophobicContact CB-CE2 3.78Å; A459-Y461 WeakPolarHBondContact O-CD2 3.5Å; A459-Y461 PolarHBondContact O-N 2.91Å
460	A	61.1	Low	64.2	Low	78 Å²	78	78.1 Å²	78.1	65%	0.645	48%	0.478	S	S	*	.			trans	-83	65.6	-171.6	0	0	0	0	0	112.5
461	Y	72.8	Confident	67	Low	89 Å²	89	77.3 Å²	77.3	35%	0.349	46%	0.464	S	S	.	.			trans	-66.6	143	176.6	-62.7	-66.2	0	0	0	112.4	I457 A459 D465 L469	I457-Y461 HydrophobicContact CG2-CD2 3.78Å; I457-Y461 HydrophobicContact CG2-CE2 4.13Å; A459-Y461 VanDerWaalsContact C-N 3.27Å; A459-Y461 HydrophobicContact CB-CD2 4.26Å; A459-Y461 HydrophobicContact CB-CE2 3.78Å; A459-Y461 WeakPolarHBondContact O-CD2 3.5Å; A459-Y461 PolarHBondContact O-N 2.91Å; Y461-D465 HydrophobicContact CD1-CB 3.89Å; Y461-D465 HydrophobicContact CG-CB 4.41Å; Y461-L469 HydrophobicContact CD1-CD1 3.95Å; Y461-L469 HydrophobicContact CD1-CD2 4.24Å; Y461-L469 HydrophobicContact CD1-CG 4.46Å; Y461-L469 HydrophobicContact CD2-CD1 3.96Å; Y461-L469 HydrophobicContact CD2-CD2 4.34Å; Y461-L469 HydrophobicContact CE1-CD1 4.46Å; Y461-L469 HydrophobicContact CE1-CD2 3.91Å; Y461-L469 HydrophobicContact CE2-CD1 4.45Å; Y461-L469 HydrophobicContact CE2-CD2 3.99Å; Y461-L469 HydrophobicContact CG-CD1 3.67Å; Y461-L469 HydrophobicContact CG-CD2 4.44Å
462	T	85.2	Confident	69.6	Low	74 Å²	74	79.1 Å²	79.1	45%	0.454	45%	0.451	S	S	.	.			trans	-100.4	171.1	177.2	71.7	0	0	0	0	111	A464 D465	T462-A464 PolarHBondContact O-N 3.21Å; T462-A464 VanDerWaalsContact O-N 3.11Å; T462-A464 WeakPolarHBondContact OG1-CB 3.38Å; T462-A464 PolarHBondContact OG1-N 2.91Å; T462-D465 WeakPolarHBondContact CA-OD2 3.48Å; T462-D465 WeakPolarHBondContact CB-OD2 3.39Å; T462-D465 PolarHBondContact N-OD2 2.93Å; T462-D465 PolarHBondContact O-N 2.98Å; T462-D465 PolarHBondContact OG1-OD2 3.33Å
463	L	85.6	Confident	72.1	Confident	116 Å²	116	72.7 Å²	72.7	61%	0.607	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.9	171.6	-69.7	174.5	0	0	0	113.5	V466 T496 I499	L463-V466 HydrophobicContact CD2-CG2 4.35Å; L463-T496 HydrophobicContact CD2-CG2 4.21Å; L463-I499 HydrophobicContact CD2-CB 4.35Å; L463-I499 HydrophobicContact CD2-CG2 3.99Å; L463-I499 HydrophobicContact CG-CG2 4.16Å
464	A	86.5	Confident	74.6	Confident	84 Å²	84	69 Å²	69	69%	0.694	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.5	174	0	0	0	0	0	113.1	T462 P467	T462-A464 PolarHBondContact O-N 3.21Å; T462-A464 VanDerWaalsContact O-N 3.11Å; T462-A464 WeakPolarHBondContact OG1-CB 3.38Å; T462-A464 PolarHBondContact OG1-N 2.91Å; A464-P467 WeakPolarHBondContact O-CD 3.44Å
465	D	88.1	Confident	76.8	Confident	48 Å²	48	70.6 Å²	70.6	26%	0.257	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.2	-179.4	-59.8	-77.2	0	0	0	112.8	Y461 T462 P467 R468 L469	Y461-D465 HydrophobicContact CD1-CB 3.89Å; Y461-D465 HydrophobicContact CG-CB 4.41Å; T462-D465 WeakPolarHBondContact CA-OD2 3.48Å; T462-D465 WeakPolarHBondContact CB-OD2 3.39Å; T462-D465 PolarHBondContact N-OD2 2.93Å; T462-D465 PolarHBondContact O-N 2.98Å; T462-D465 PolarHBondContact OG1-OD2 3.33Å; D465-P467 VanDerWaalsContact C-CD 3.48Å; D465-R468 PolarHBondContact O-N 2.68Å; D465-L469 HydrophobicContact CB-CD1 4.02Å; D465-L469 HydrophobicContact CB-CG 4.43Å; D465-L469 WeakPolarHBondContact O-CG 3.43Å; D465-L469 PolarHBondContact O-N 3.32Å
466	V	90.2	Very high	78.6	Confident	9 Å²	9	69.9 Å²	69.9	6%	0.055	40%	0.398	C	S	.	.	H	α-helix	trans	-46.9	-48.4	-177.4	168.1	0	0	0	0	114	L463 R468 L469 A470 T492 T496 I499	L463-V466 HydrophobicContact CD2-CG2 4.35Å; V466-R468 PolarHBondContact O-N 2.97Å; V466-L469 PolarHBondContact O-N 2.86Å; V466-A470 WeakPolarHBondContact O-CB 3.46Å; V466-A470 PolarHBondContact O-N 3.42Å; V466-T492 HydrophobicContact CG1-CG2 4.09Å; V466-T496 HydrophobicContact CG1-CG2 3.86Å; V466-T496 HydrophobicContact CG2-CG2 4.02Å; V466-I499 HydrophobicContact CG2-CD1 3.87Å
467	P	90.8	Very high	80.6	Confident	81 Å²	81	70 Å²	70	53%	0.526	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-42.6	-176.7	-20.6	34.1	0	0	0	112.2	A464 D465 A470 E471	A464-P467 WeakPolarHBondContact O-CD 3.44Å; D465-P467 VanDerWaalsContact C-CD 3.48Å; P467-A470 PolarHBondContact O-N 2.98Å; P467-E471 WeakPolarHBondContact O-CB 3.36Å; P467-E471 PolarHBondContact O-N 2.78Å
468	R	89.5	Confident	82.6	Confident	183 Å²	183	69.3 Å²	69.3	69%	0.691	38%	0.382	S	S	*	.	H	α-helix	trans	-65.3	-38.4	177.5	168.6	-176.4	148.2	91.9	2.7	111.7	D465 V466 Y472	D465-R468 PolarHBondContact O-N 2.68Å; V466-R468 PolarHBondContact O-N 2.97Å; R468-Y472 WeakPolarHBondContact O-CB 3.33Å; R468-Y472 PolarHBondContact O-N 3.23Å
469	L	89.6	Confident	84.4	Confident	14 Å²	14	68 Å²	68	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-67.4	-45.1	176	-70.4	168.9	0	0	0	111.4	Y461 D465 V466 Y472 S473 Y495	Y461-L469 HydrophobicContact CD1-CD1 3.95Å; Y461-L469 HydrophobicContact CD1-CD2 4.24Å; Y461-L469 HydrophobicContact CD1-CG 4.46Å; Y461-L469 HydrophobicContact CD2-CD1 3.96Å; Y461-L469 HydrophobicContact CD2-CD2 4.34Å; Y461-L469 HydrophobicContact CE1-CD1 4.46Å; Y461-L469 HydrophobicContact CE1-CD2 3.91Å; Y461-L469 HydrophobicContact CE2-CD1 4.45Å; Y461-L469 HydrophobicContact CE2-CD2 3.99Å; Y461-L469 HydrophobicContact CG-CD1 3.67Å; Y461-L469 HydrophobicContact CG-CD2 4.44Å; D465-L469 HydrophobicContact CB-CD1 4.02Å; D465-L469 HydrophobicContact CB-CG 4.43Å; D465-L469 WeakPolarHBondContact O-CG 3.43Å; D465-L469 PolarHBondContact O-N 3.32Å; V466-L469 PolarHBondContact O-N 2.86Å; L469-Y472 PolarHBondContact O-N 3.26Å; L469-S473 PolarHBondContact O-N 3.46Å; L469-S473 PolarHBondContact O-OG 3.07Å; L469-Y495 HydrophobicContact CB-CD1 4.22Å; L469-Y495 HydrophobicContact CB-CD2 3.66Å; L469-Y495 HydrophobicContact CB-CE1 4.1Å; L469-Y495 HydrophobicContact CB-CE2 3.58Å; L469-Y495 HydrophobicContact CB-CG 4.04Å; L469-Y495 HydrophobicContact CD1-CD1 3.93Å; L469-Y495 HydrophobicContact CD1-CE1 4.16Å; L469-Y495 HydrophobicContact CD1-CG 4.23Å
470	A	91.7	Very high	86.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-67	-38.3	179.1	0	0	0	0	0	113.1	V466 P467 S473 A474 V488 T492 Y495	V466-A470 WeakPolarHBondContact O-CB 3.46Å; V466-A470 PolarHBondContact O-N 3.42Å; P467-A470 PolarHBondContact O-N 2.98Å; A470-S473 WeakPolarHBondContact CA-OG 3.41Å; A470-S473 PolarHBondContact O-OG 2.95Å; A470-A474 WeakPolarHBondContact O-CB 3.43Å; A470-A474 PolarHBondContact O-N 3.31Å; A470-V488 HydrophobicContact CB-CG1 4.49Å; A470-T492 HydrophobicContact CB-CG2 3.51Å; A470-Y495 HydrophobicContact CB-CD2 4.49Å
471	E	91.9	Very high	87.4	Confident	122 Å²	122	72.5 Å²	72.5	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-66	-45.1	173.1	-174.9	172.6	-141.4	0	0	111.5	P467 A474 S475	P467-E471 WeakPolarHBondContact O-CB 3.36Å; P467-E471 PolarHBondContact O-N 2.78Å; E471-A474 PolarHBondContact O-N 2.93Å; E471-S475 WeakPolarHBondContact O-CB 3.15Å; E471-S475 PolarHBondContact O-N 3.23Å; E471-S475 PolarHBondContact O-OG 3.47Å
472	Y	90.4	Very high	88	Confident	140 Å²	140	74.6 Å²	74.6	55%	0.549	41%	0.41	S	S	.	.	H	α-helix	trans	-59.6	-50.8	175.3	177	-103.8	0	0	0	111.9	R468 L469 A474 S475 V476	R468-Y472 WeakPolarHBondContact O-CB 3.33Å; R468-Y472 PolarHBondContact O-N 3.23Å; L469-Y472 PolarHBondContact O-N 3.26Å; Y472-A474 PolarHBondContact O-N 2.91Å; Y472-S475 PolarHBondContact O-N 2.89Å; Y472-S475 PolarHBondContact O-OG 2.92Å; Y472-V476 HydrophobicContact CE1-CG2 4.5Å; Y472-V476 WeakPolarHBondContact O-CG2 3.38Å; Y472-V476 PolarHBondContact O-N 2.85Å
473	S	90.4	Very high	88.1	Confident	5 Å²	5	74.6 Å²	74.6	4%	0.035	41%	0.405	C	S	.	.	H	α-helix	trans	-66.9	-37.3	-180	56.4	0	0	0	0	112.4	L469 A470 S475 V476 Y477 Y491	L469-S473 PolarHBondContact O-N 3.46Å; L469-S473 PolarHBondContact O-OG 3.07Å; A470-S473 WeakPolarHBondContact CA-OG 3.41Å; A470-S473 PolarHBondContact O-OG 2.95Å; S473-S475 PolarHBondContact O-N 3.5Å; S473-V476 PolarHBondContact O-N 3.48Å; S473-Y477 WeakPolarHBondContact O-CD2 3.44Å; S473-Y477 PolarHBondContact O-N 3.14Å; S473-Y491 VanDerWaalsContact OG-CB 3.25Å; S473-Y491 WeakPolarHBondContact OG-CB 3.41Å; S473-Y491 WeakPolarHBondContact OG-CD2 3.38Å
474	A	90.8	Very high	88.4	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-62.3	-40.7	172.8	0	0	0	0	0	112.6	A470 E471 Y472 V476 Y477 A478 V488	A470-A474 WeakPolarHBondContact O-CB 3.43Å; A470-A474 PolarHBondContact O-N 3.31Å; E471-A474 PolarHBondContact O-N 2.93Å; Y472-A474 PolarHBondContact O-N 2.91Å; A474-V476 PolarHBondContact O-N 3.41Å; A474-Y477 PolarHBondContact O-N 3.28Å; A474-A478 VanDerWaalsContact O-CB 3.24Å; A474-A478 WeakPolarHBondContact O-CB 3.39Å; A474-A478 PolarHBondContact O-N 2.96Å; A474-V488 HydrophobicContact CB-CB 4.36Å; A474-V488 HydrophobicContact CB-CG2 3.46Å; A474-V488 VanDerWaalsContact CB-CG2 3.46Å
475	S	89	Confident	88.6	Confident	71 Å²	71	70.6 Å²	70.6	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-19.7	177.7	77.9	0	0	0	0	114.2	E471 Y472 S473	E471-S475 WeakPolarHBondContact O-CB 3.15Å; E471-S475 PolarHBondContact O-N 3.23Å; E471-S475 PolarHBondContact O-OG 3.47Å; Y472-S475 PolarHBondContact O-N 2.89Å; Y472-S475 PolarHBondContact O-OG 2.92Å; S473-S475 PolarHBondContact O-N 3.5Å
476	V	86.6	Confident	88.6	Confident	70 Å²	70	73.3 Å²	73.3	42%	0.424	39%	0.393	S	S	.	.	H	α-helix	trans	-84.7	-26.7	177.4	171.7	0	0	0	0	112.5	Y472 S473 A474	Y472-V476 HydrophobicContact CE1-CG2 4.5Å; Y472-V476 WeakPolarHBondContact O-CG2 3.38Å; Y472-V476 PolarHBondContact O-N 2.85Å; S473-V476 PolarHBondContact O-N 3.48Å; A474-V476 PolarHBondContact O-N 3.41Å
477	Y	84.3	Confident	88.7	Confident	85 Å²	85	76.8 Å²	76.8	33%	0.333	41%	0.405	S	S	.	.	H	α-helix	trans	-115.1	-18.4	-173.7	-60.3	-63.2	0	0	0	115.4	M452 P454 S473 A474 Y487 Y491	M452-Y477 PolarHBondContact O-OH 2.91Å; P454-Y477 WeakPolarHBondContact CD-OH 3.42Å; S473-Y477 WeakPolarHBondContact O-CD2 3.44Å; S473-Y477 PolarHBondContact O-N 3.14Å; A474-Y477 PolarHBondContact O-N 3.28Å; Y477-Y487 WeakPolarHBondContact O-CE2 3.3Å; Y477-Y491 AromaticContact CD2-CE2 3.88Å; Y477-Y491 HydrophobicContact CD2-CE2 3.88Å; Y477-Y491 AromaticContact CD2-CZ 3.84Å; Y477-Y491 WeakPolarHBondContact CD2-OH 3.42Å; Y477-Y491 HydrophobicContact CE2-CE2 4.45Å; Y477-Y491 VanDerWaalsContact CE2-OH 3.25Å; Y477-Y491 WeakPolarHBondContact CE2-OH 3.22Å
478	A	85.7	Confident	88.8	Confident	28 Å²	28	75 Å²	75	23%	0.231	39%	0.392	C	S	.	.			trans	-77.1	127.6	179.5	0	0	0	0	0	112.5	A474 E483 H484 Y487	A474-A478 VanDerWaalsContact O-CB 3.24Å; A474-A478 WeakPolarHBondContact O-CB 3.39Å; A474-A478 PolarHBondContact O-N 2.96Å; A478-E483 HydrophobicContact CB-CB 4.23Å; A478-H484 HydrophobicContact CB-CB 3.71Å; A478-Y487 HydrophobicContact CB-CD2 3.97Å
479	S	83.5	Confident	88.9	Confident	106 Å²	106	72.5 Å²	72.5	74%	0.741	39%	0.389	S	S	*	.	S	Bend	trans	-91.1	-19.8	169.5	77.2	0	0	0	0	113	E483	S479-E483 WeakPolarHBondContact CA-OE2 3.47Å; S479-E483 VanDerWaalsContact CB-OE2 3.31Å; S479-E483 WeakPolarHBondContact CB-OE2 3.43Å; S479-E483 PolarHBondContact N-OE2 3.34Å; S479-E483 PolarHBondContact OG-OE2 3.1Å
480	N	86.3	Confident	89	Confident	93 Å²	93	78.7 Å²	78.7	50%	0.497	41%	0.412	S	S	.	.	S	Bend	trans	-144.9	148.2	-169.2	-152.9	6.7	0	0	0	110.5	L482 E483 H484	N480-L482 VanDerWaalsContact C-N 3.25Å; N480-L482 PolarHBondContact O-N 3.29Å; N480-L482 VanDerWaalsContact O-N 3.12Å; N480-E483 HydrophobicContact CB-CG 4.29Å; N480-E483 PolarHBondContact N-OE2 3.46Å; N480-E483 WeakPolarHBondContact O-CA 3.41Å; N480-E483 WeakPolarHBondContact O-CB 3.21Å; N480-E483 PolarHBondContact O-N 2.91Å; N480-H484 PolarHBondContact O-N 3.27Å
481	P	87.1	Confident	89.1	Confident	105 Å²	105	79.6 Å²	79.6	68%	0.682	42%	0.416	S	S	*	.	H	α-helix	trans	-60.4	-27.6	-174.4	-28.4	37.8	0	0	0	115.5	H484 A485	P481-H484 PolarHBondContact O-N 2.93Å; P481-A485 PolarHBondContact O-N 3.29Å
482	L	84.9	Confident	89.1	Confident	133 Å²	133	75.5 Å²	75.5	70%	0.696	40%	0.399	S	S	*	.	H	α-helix	trans	-66.8	-37.9	172	-80.1	162.8	0	0	0	112.4	N480 N486	N480-L482 VanDerWaalsContact C-N 3.25Å; N480-L482 PolarHBondContact O-N 3.29Å; N480-L482 VanDerWaalsContact O-N 3.12Å; L482-N486 PolarHBondContact O-N 3.3Å
483	E	87	Confident	89.1	Confident	73 Å²	73	74 Å²	74	34%	0.341	40%	0.4	S	S	.	.	H	α-helix	trans	-70.3	-37.6	174.1	-61.8	178.2	155.9	0	0	110.8	A478 S479 N480 A485 N486 Y487	A478-E483 HydrophobicContact CB-CB 4.23Å; S479-E483 WeakPolarHBondContact CA-OE2 3.47Å; S479-E483 VanDerWaalsContact CB-OE2 3.31Å; S479-E483 WeakPolarHBondContact CB-OE2 3.43Å; S479-E483 PolarHBondContact N-OE2 3.34Å; S479-E483 PolarHBondContact OG-OE2 3.1Å; N480-E483 HydrophobicContact CB-CG 4.29Å; N480-E483 PolarHBondContact N-OE2 3.46Å; N480-E483 WeakPolarHBondContact O-CA 3.41Å; N480-E483 WeakPolarHBondContact O-CB 3.21Å; N480-E483 PolarHBondContact O-N 2.91Å; E483-A485 VanDerWaalsContact C-N 3.33Å; E483-A485 PolarHBondContact O-N 2.91Å; E483-N486 PolarHBondContact O-N 3.15Å; E483-N486 VanDerWaalsContact O-N 3.15Å; E483-Y487 HydrophobicContact CB-CD2 4.09Å; E483-Y487 HydrophobicContact CB-CE2 4.04Å; E483-Y487 WeakPolarHBondContact O-CB 3.21Å; E483-Y487 WeakPolarHBondContact O-CD2 3.18Å; E483-Y487 PolarHBondContact O-N 2.9Å
484	H	91.4	Very high	89.1	Confident	61 Å²	61	76.8 Å²	76.8	28%	0.282	41%	0.411	S	S	.	.	H	α-helix	trans	-58	-44.8	176.9	-167.9	-91	0	0	0	111.6	A478 N480 P481 N486 Y487 V488	A478-H484 HydrophobicContact CB-CB 3.71Å; N480-H484 PolarHBondContact O-N 3.27Å; P481-H484 PolarHBondContact O-N 2.93Å; H484-N486 PolarHBondContact O-N 2.96Å; H484-Y487 PolarHBondContact O-N 3.11Å; H484-V488 VanDerWaalsContact O-CG2 3.32Å; H484-V488 WeakPolarHBondContact O-CG2 3.28Å; H484-V488 PolarHBondContact O-N 3.47Å
485	A	90.8	Very high	89.1	Confident	55 Å²	55	77.4 Å²	77.4	46%	0.455	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-43.7	175.1	0	0	0	0	0	112.6	P481 E483 Q489	P481-A485 PolarHBondContact O-N 3.29Å; E483-A485 VanDerWaalsContact C-N 3.33Å; E483-A485 PolarHBondContact O-N 2.91Å; A485-Q489 PolarHBondContact O-N 3.2Å
486	N	89.5	Confident	89.2	Confident	106 Å²	106	76.4 Å²	76.4	57%	0.567	40%	0.404	S	S	*	.	H	α-helix	trans	-67	-42.9	178.2	-66.5	-15.4	0	0	0	112.2	L482 E483 H484 Q489 Y490	L482-N486 PolarHBondContact O-N 3.3Å; E483-N486 PolarHBondContact O-N 3.15Å; E483-N486 VanDerWaalsContact O-N 3.15Å; H484-N486 PolarHBondContact O-N 2.96Å; N486-Q489 PolarHBondContact O-N 3.49Å; N486-Y490 WeakPolarHBondContact O-CB 3.48Å; N486-Y490 PolarHBondContact O-N 3.16Å
487	Y	92.3	Very high	89.1	Confident	82 Å²	82	76 Å²	76	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-67.5	-38.7	178.2	-77.3	-59.2	0	0	0	112	Y477 A478 E483 H484 Q489 Y490 Y491	Y477-Y487 WeakPolarHBondContact O-CE2 3.3Å; A478-Y487 HydrophobicContact CB-CD2 3.97Å; E483-Y487 HydrophobicContact CB-CD2 4.09Å; E483-Y487 HydrophobicContact CB-CE2 4.04Å; E483-Y487 WeakPolarHBondContact O-CB 3.21Å; E483-Y487 WeakPolarHBondContact O-CD2 3.18Å; E483-Y487 PolarHBondContact O-N 2.9Å; H484-Y487 PolarHBondContact O-N 3.11Å; Y487-Q489 VanDerWaalsContact C-N 3.34Å; Y487-Q489 PolarHBondContact O-N 3.08Å; Y487-Y490 PolarHBondContact O-N 3.36Å; Y487-Y491 AromaticContact CD1-CE2 4Å; Y487-Y491 HydrophobicContact CD1-CE2 4Å; Y487-Y491 HydrophobicContact CG-CE2 4.49Å; Y487-Y491 WeakPolarHBondContact O-CB 3.49Å; Y487-Y491 WeakPolarHBondContact O-CD2 3.47Å; Y487-Y491 PolarHBondContact O-N 3.31Å
488	V	93	Very high	89	Confident	42 Å²	42	75.2 Å²	75.2	26%	0.255	40%	0.402	S	S	.	.	H	α-helix	trans	-57.6	-48.3	174.1	169	0	0	0	0	110.2	A470 A474 H484 Y491 T492	A470-V488 HydrophobicContact CB-CG1 4.49Å; A474-V488 HydrophobicContact CB-CB 4.36Å; A474-V488 HydrophobicContact CB-CG2 3.46Å; A474-V488 VanDerWaalsContact CB-CG2 3.46Å; H484-V488 VanDerWaalsContact O-CG2 3.32Å; H484-V488 WeakPolarHBondContact O-CG2 3.28Å; H484-V488 PolarHBondContact O-N 3.47Å; V488-Y491 PolarHBondContact O-N 3.43Å; V488-T492 HydrophobicContact CG1-CG2 4.44Å; V488-T492 WeakPolarHBondContact O-CG2 3.09Å; V488-T492 PolarHBondContact O-N 3.45Å; V488-T492 PolarHBondContact O-OG1 3.08Å
489	Q	90.8	Very high	88.8	Confident	132 Å²	132	75.7 Å²	75.7	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-61.4	-46.7	177.5	-71.5	-174.8	-12.5	0	0	112.6	A485 N486 Y487 Y491 T492 D493	A485-Q489 PolarHBondContact O-N 3.2Å; N486-Q489 PolarHBondContact O-N 3.49Å; Y487-Q489 VanDerWaalsContact C-N 3.34Å; Y487-Q489 PolarHBondContact O-N 3.08Å; Q489-Y491 VanDerWaalsContact C-N 3.31Å; Q489-Y491 PolarHBondContact O-N 3.29Å; Q489-T492 WeakPolarHBondContact CA-OG1 3.38Å; Q489-T492 PolarHBondContact O-N 3.27Å; Q489-T492 PolarHBondContact O-OG1 2.82Å; Q489-D493 PolarHBondContact O-N 2.79Å
490	Y	91.9	Very high	88.7	Confident	144 Å²	144	73.5 Å²	73.5	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-57.3	-44.1	177.1	176	-97.7	0	0	0	112.1	N486 Y487 Y494	N486-Y490 WeakPolarHBondContact O-CB 3.48Å; N486-Y490 PolarHBondContact O-N 3.16Å; Y487-Y490 PolarHBondContact O-N 3.36Å; Y490-Y494 WeakPolarHBondContact O-CB 3.46Å; Y490-Y494 PolarHBondContact O-N 3.41Å
491	Y	93.3	Very high	88.2	Confident	18 Å²	18	74 Å²	74	7%	0.071	38%	0.382	C	S	.	.	H	α-helix	trans	-77.1	-31.4	-179.2	-73.3	-62.4	0	0	0	113.5	P454 S473 Y477 Y487 V488 Q489 D493 Y494 Y495	P454-Y491 HydrophobicContact CB-CE1 4.35Å; S473-Y491 VanDerWaalsContact OG-CB 3.25Å; S473-Y491 WeakPolarHBondContact OG-CB 3.41Å; S473-Y491 WeakPolarHBondContact OG-CD2 3.38Å; Y477-Y491 AromaticContact CD2-CE2 3.88Å; Y477-Y491 HydrophobicContact CD2-CE2 3.88Å; Y477-Y491 AromaticContact CD2-CZ 3.84Å; Y477-Y491 WeakPolarHBondContact CD2-OH 3.42Å; Y477-Y491 HydrophobicContact CE2-CE2 4.45Å; Y477-Y491 VanDerWaalsContact CE2-OH 3.25Å; Y477-Y491 WeakPolarHBondContact CE2-OH 3.22Å; Y487-Y491 AromaticContact CD1-CE2 4Å; Y487-Y491 HydrophobicContact CD1-CE2 4Å; Y487-Y491 HydrophobicContact CG-CE2 4.49Å; Y487-Y491 WeakPolarHBondContact O-CB 3.49Å; Y487-Y491 WeakPolarHBondContact O-CD2 3.47Å; Y487-Y491 PolarHBondContact O-N 3.31Å; V488-Y491 PolarHBondContact O-N 3.43Å; Q489-Y491 VanDerWaalsContact C-N 3.31Å; Q489-Y491 PolarHBondContact O-N 3.29Å; Y491-D493 VanDerWaalsContact C-N 3.3Å; Y491-D493 PolarHBondContact O-N 2.87Å; Y491-Y494 HydrophobicContact CD1-CD1 4.37Å; Y491-Y494 PolarHBondContact O-N 3.37Å; Y491-Y495 HydrophobicContact CD1-CE2 4.26Å; Y491-Y495 HydrophobicContact CG-CE2 4.44Å; Y491-Y495 WeakPolarHBondContact O-CD2 3.5Å; Y491-Y495 PolarHBondContact O-N 3.45Å
492	T	93.1	Very high	86.9	Confident	37 Å²	37	74.1 Å²	74.1	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-41	171.5	47.8	0	0	0	0	111.6	V466 A470 V488 Q489 T496	V466-T492 HydrophobicContact CG1-CG2 4.09Å; A470-T492 HydrophobicContact CB-CG2 3.51Å; V488-T492 HydrophobicContact CG1-CG2 4.44Å; V488-T492 WeakPolarHBondContact O-CG2 3.09Å; V488-T492 PolarHBondContact O-N 3.45Å; V488-T492 PolarHBondContact O-OG1 3.08Å; Q489-T492 WeakPolarHBondContact CA-OG1 3.38Å; Q489-T492 PolarHBondContact O-N 3.27Å; Q489-T492 PolarHBondContact O-OG1 2.82Å; T492-T496 WeakPolarHBondContact O-CB 3.48Å; T492-T496 VanDerWaalsContact O-CG2 3.28Å; T492-T496 WeakPolarHBondContact O-CG2 3.28Å; T492-T496 PolarHBondContact O-N 3.26Å; T492-T496 PolarHBondContact O-OG1 3.09Å
493	D	90.1	Very high	85.5	Confident	107 Å²	107	72.4 Å²	72.4	57%	0.572	38%	0.375	S	S	*	.	H	α-helix	trans	-70.2	-37.9	177.7	-72.6	8.7	0	0	0	111.4	Q489 Y491 T496 T497	Q489-D493 PolarHBondContact O-N 2.79Å; Y491-D493 VanDerWaalsContact C-N 3.3Å; Y491-D493 PolarHBondContact O-N 2.87Å; D493-T496 WeakPolarHBondContact CA-OG1 3.41Å; D493-T496 PolarHBondContact O-OG1 3.04Å; D493-T497 WeakPolarHBondContact O-CB 3.41Å; D493-T497 VanDerWaalsContact O-CG2 3.32Å; D493-T497 WeakPolarHBondContact O-CG2 3.5Å; D493-T497 PolarHBondContact O-N 3.36Å; D493-T497 PolarHBondContact O-OG1 2.85Å
494	Y	90.5	Very high	83.6	Confident	65 Å²	65	78.2 Å²	78.2	26%	0.255	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-54.1	174.1	-176.5	-112.1	0	0	0	112.4	I457 Y490 Y491 T496 T497 E498	I457-Y494 HydrophobicContact CD1-CD1 4.49Å; I457-Y494 HydrophobicContact CD1-CE1 3.66Å; Y490-Y494 WeakPolarHBondContact O-CB 3.46Å; Y490-Y494 PolarHBondContact O-N 3.41Å; Y491-Y494 HydrophobicContact CD1-CD1 4.37Å; Y491-Y494 PolarHBondContact O-N 3.37Å; Y494-T496 PolarHBondContact O-N 3.3Å; Y494-T497 PolarHBondContact O-N 3.39Å; Y494-T497 PolarHBondContact O-OG1 3.45Å; Y494-E498 HydrophobicContact CD2-CG 4.34Å; Y494-E498 HydrophobicContact CE1-CG 4.45Å; Y494-E498 HydrophobicContact CE2-CG 3.93Å; Y494-E498 PolarHBondContact O-N 2.86Å
495	Y	91.2	Very high	81.4	Confident	12 Å²	12	80.8 Å²	80.8	5%	0.047	41%	0.41	C	S	.	.	H	α-helix	trans	-65.8	-38	-178	-71.5	-65.6	0	0	0	112.6	I457 L469 A470 Y491 I499	I457-Y495 HydrophobicContact CD1-CD1 3.97Å; I457-Y495 HydrophobicContact CD1-CE1 3.4Å; I457-Y495 VanDerWaalsContact CD1-CE1 3.4Å; I457-Y495 HydrophobicContact CG1-CE1 4Å; L469-Y495 HydrophobicContact CB-CD1 4.22Å; L469-Y495 HydrophobicContact CB-CD2 3.66Å; L469-Y495 HydrophobicContact CB-CE1 4.1Å; L469-Y495 HydrophobicContact CB-CE2 3.58Å; L469-Y495 HydrophobicContact CB-CG 4.04Å; L469-Y495 HydrophobicContact CD1-CD1 3.93Å; L469-Y495 HydrophobicContact CD1-CE1 4.16Å; L469-Y495 HydrophobicContact CD1-CG 4.23Å; A470-Y495 HydrophobicContact CB-CD2 4.49Å; Y491-Y495 HydrophobicContact CD1-CE2 4.26Å; Y491-Y495 HydrophobicContact CG-CE2 4.44Å; Y491-Y495 WeakPolarHBondContact O-CD2 3.5Å; Y491-Y495 PolarHBondContact O-N 3.45Å; Y495-I499 WeakPolarHBondContact O-CB 3.46Å; Y495-I499 WeakPolarHBondContact O-CD1 3.47Å; Y495-I499 WeakPolarHBondContact O-CG1 3.5Å; Y495-I499 PolarHBondContact O-N 3.22Å
496	T	89.3	Confident	79.4	Confident	50 Å²	50	88.9 Å²	88.9	31%	0.307	43%	0.428	S	S	.	.	H	α-helix	trans	-67	-41.9	175.4	51.7	0	0	0	0	112.5	L463 V466 T492 D493 Y494 S500	L463-T496 HydrophobicContact CD2-CG2 4.21Å; V466-T496 HydrophobicContact CG1-CG2 3.86Å; V466-T496 HydrophobicContact CG2-CG2 4.02Å; T492-T496 WeakPolarHBondContact O-CB 3.48Å; T492-T496 VanDerWaalsContact O-CG2 3.28Å; T492-T496 WeakPolarHBondContact O-CG2 3.28Å; T492-T496 PolarHBondContact O-N 3.26Å; T492-T496 PolarHBondContact O-OG1 3.09Å; D493-T496 WeakPolarHBondContact CA-OG1 3.41Å; D493-T496 PolarHBondContact O-OG1 3.04Å; Y494-T496 PolarHBondContact O-N 3.3Å; T496-S500 WeakPolarHBondContact O-CB 3.06Å; T496-S500 PolarHBondContact O-N 3.39Å; T496-S500 PolarHBondContact O-OG 3.39Å
497	T	86	Confident	77.3	Confident	62 Å²	62	91.6 Å²	91.6	38%	0.38	44%	0.438	S	S	.	.	H	α-helix	trans	-68.3	-39.1	177.7	56.5	0	0	0	0	112.7	D493 Y494 S500 K501	D493-T497 WeakPolarHBondContact O-CB 3.41Å; D493-T497 VanDerWaalsContact O-CG2 3.32Å; D493-T497 WeakPolarHBondContact O-CG2 3.5Å; D493-T497 PolarHBondContact O-N 3.36Å; D493-T497 PolarHBondContact O-OG1 2.85Å; Y494-T497 PolarHBondContact O-N 3.39Å; Y494-T497 PolarHBondContact O-OG1 3.45Å; T497-S500 WeakPolarHBondContact CA-OG 3.45Å; T497-S500 PolarHBondContact O-OG 2.83Å; T497-K501 WeakPolarHBondContact O-CD 3.18Å; T497-K501 WeakPolarHBondContact O-CG 3.47Å; T497-K501 PolarHBondContact O-N 3.49Å; T497-K501 VanDerWaalsContact O-N 3.1Å
498	E	81.5	Confident	74.9	Confident	69 Å²	69	91.8 Å²	91.8	32%	0.322	45%	0.447	S	S	.	.	H	α-helix	trans	-66	-46.3	174.8	-70.3	-54.6	117.3	0	0	112.9	Y494 S500 K501 N502	Y494-E498 HydrophobicContact CD2-CG 4.34Å; Y494-E498 HydrophobicContact CE1-CG 4.45Å; Y494-E498 HydrophobicContact CE2-CG 3.93Å; Y494-E498 PolarHBondContact O-N 2.86Å; E498-S500 VanDerWaalsContact C-N 3.3Å; E498-S500 PolarHBondContact O-N 3.32Å; E498-K501 PolarHBondContact O-N 3.34Å; E498-K501 IonicContact OE1-NZ 2.76Å; E498-K501 PolarHBondContact OE1-NZ 3.02Å; E498-N502 WeakPolarHBondContact O-CB 3.12Å; E498-N502 PolarHBondContact O-N 3.08Å
499	I	82.5	Confident	72.7	Confident	38 Å²	38	93.6 Å²	93.6	20%	0.195	46%	0.459	C	S	.	.	H	α-helix	trans	-61.5	-40	178.5	-68.6	168.4	0	0	0	111	L463 V466 Y495 C503	L463-I499 HydrophobicContact CD2-CB 4.35Å; L463-I499 HydrophobicContact CD2-CG2 3.99Å; L463-I499 HydrophobicContact CG-CG2 4.16Å; V466-I499 HydrophobicContact CG2-CD1 3.87Å; Y495-I499 WeakPolarHBondContact O-CB 3.46Å; Y495-I499 WeakPolarHBondContact O-CD1 3.47Å; Y495-I499 WeakPolarHBondContact O-CG1 3.5Å; Y495-I499 PolarHBondContact O-N 3.22Å; I499-C503 WeakPolarHBondContact O-CB 3.07Å; I499-C503 PolarHBondContact O-N 3.08Å
500	S	80.2	Confident	70.9	Confident	59 Å²	59	94.1 Å²	94.1	41%	0.413	46%	0.461	S	S	.	.	H	α-helix	trans	-73	-24.1	178.6	62.4	0	0	0	0	114.7	T496 T497 E498	T496-S500 WeakPolarHBondContact O-CB 3.06Å; T496-S500 PolarHBondContact O-N 3.39Å; T496-S500 PolarHBondContact O-OG 3.39Å; T497-S500 WeakPolarHBondContact CA-OG 3.45Å; T497-S500 PolarHBondContact O-OG 2.83Å; E498-S500 VanDerWaalsContact C-N 3.3Å; E498-S500 PolarHBondContact O-N 3.32Å
501	K	76.4	Confident	68.8	Low	104 Å²	104	89 Å²	89	45%	0.452	45%	0.449	S	S	.	.	H	α-helix	trans	-72.1	-56.1	168.9	-69.9	163.3	-163	170.1	0	110.8	T497 E498 C503 R504	T497-K501 WeakPolarHBondContact O-CD 3.18Å; T497-K501 WeakPolarHBondContact O-CG 3.47Å; T497-K501 PolarHBondContact O-N 3.49Å; T497-K501 VanDerWaalsContact O-N 3.1Å; E498-K501 PolarHBondContact O-N 3.34Å; E498-K501 IonicContact OE1-NZ 2.76Å; E498-K501 PolarHBondContact OE1-NZ 3.02Å; K501-C503 PolarHBondContact O-N 3.14Å; K501-R504 WeakPolarHBondContact O-CB 3.25Å; K501-R504 PolarHBondContact O-N 2.76Å
502	N	59.6	Low	66.7	Low	107 Å²	107	90.9 Å²	90.9	57%	0.572	46%	0.46	S	S	*	.	H	α-helix	trans	-63.5	-20.5	-172.4	-156.1	-8.1	0	0	0	112.9	E498 R504	E498-N502 WeakPolarHBondContact O-CB 3.12Å; E498-N502 PolarHBondContact O-N 3.08Å; N502-R504 VanDerWaalsContact C-N 3.34Å
503	C	54.5	Low	64.7	Low	98 Å²	98	92.6 Å²	92.6	66%	0.662	47%	0.473	S	S	*	.	H	α-helix	trans	-71.8	-20	170.8	-165.5	0	0	0	0	114.3	I499 K501	I499-C503 WeakPolarHBondContact O-CB 3.07Å; I499-C503 PolarHBondContact O-N 3.08Å; K501-C503 PolarHBondContact O-N 3.14Å
504	R	47.2	Very low	62.9	Low	195 Å²	195	88.8 Å²	88.8	74%	0.736	46%	0.459	S	S	*	.	H	α-helix	trans	-89.2	-36.7	-176.9	-64.8	177.1	177.3	-169.5	-2.8	113.1	K501 N502 R506	K501-R504 WeakPolarHBondContact O-CB 3.25Å; K501-R504 PolarHBondContact O-N 2.76Å; N502-R504 VanDerWaalsContact C-N 3.34Å; R504-R506 VanDerWaalsContact C-N 3.27Å; R504-R506 PolarHBondContact O-N 2.76Å
505	D	46.7	Very low	61.2	Low	115 Å²	115	85.9 Å²	85.9	62%	0.615	45%	0.449	S	S	*	.	H	α-helix	trans	-71	-21.2	-171.9	-61.4	-44.2	0	0	0	113.5	Q507	D505-Q507 PolarHBondContact O-N 3.12Å; D505-Q507 VanDerWaalsContact O-N 3.12Å
506	R	47.4	Very low	59.5	Low	224 Å²	224	87.6 Å²	87.6	85%	0.845	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	6.1	-178.5	-59.2	-170	73.4	171.9	4	115.1	R504	R504-R506 VanDerWaalsContact C-N 3.27Å; R504-R506 PolarHBondContact O-N 2.76Å
507	Q	45.9	Very low	58.2	Low	163 Å²	163	90.1 Å²	90.1	76%	0.762	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	10.7	-173.1	-147	170.4	10.2	0	0	114.7	D505 T509	D505-Q507 PolarHBondContact O-N 3.12Å; D505-Q507 VanDerWaalsContact O-N 3.12Å; Q507-T509 PolarHBondContact O-N 3.42Å
508	V	42	Very low	56.8	Low	87 Å²	87	87.6 Å²	87.6	53%	0.527	47%	0.466	S	S	.	.			trans	-88.8	97.7	-176.6	-169.5	0	0	0	0	111.2	N512	V508-N512 HydrophobicContact CG1-CB 3.95Å
509	T	46.4	Very low	55.9	Low	80 Å²	80	87.7 Å²	87.7	49%	0.491	47%	0.468	S	S	.	.			trans	-81.3	158	167.2	54.6	0	0	0	0	111.1	Q507 A511 N512	Q507-T509 PolarHBondContact O-N 3.42Å; T509-A511 VanDerWaalsContact C-N 3.26Å; T509-A511 PolarHBondContact O-N 3.37Å; T509-N512 WeakPolarHBondContact O-CB 3.43Å; T509-N512 PolarHBondContact O-N 3.44Å
510	E	53.3	Low	55	Low	143 Å²	143	88.7 Å²	88.7	67%	0.668	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.9	-165.6	-62.5	171.1	115.1	0	0	115.4	N512 S513 S619	E510-N512 PolarHBondContact O-N 3.1Å; E510-S513 VanDerWaalsContact O-CB 3.26Å; E510-S513 WeakPolarHBondContact O-CB 3.21Å; E510-S513 PolarHBondContact O-N 3.31Å; E510-S513 VanDerWaalsContact O-N 3.14Å; E510-S513 PolarHBondContact O-OG 3.35Å; E510-S619 PolarHBondContact OE2-OG 3.19Å
511	A	48.3	Very low	54.1	Low	37 Å²	37	88.2 Å²	88.2	31%	0.306	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.9	178.7	0	0	0	0	0	113.8	T509 S513 P617	T509-A511 VanDerWaalsContact C-N 3.26Å; T509-A511 PolarHBondContact O-N 3.37Å; A511-S513 VanDerWaalsContact C-N 3.26Å; A511-S513 PolarHBondContact O-N 3.06Å; A511-P617 HydrophobicContact CB-CB 3.84Å
512	N	49.1	Very low	53.6	Low	57 Å²	57	84.3 Å²	84.3	31%	0.305	46%	0.462	S	S	.	.	H	α-helix	trans	-80.9	-4.4	176.2	-66.2	-7	0	0	0	112.5	V508 T509 E510 A515 A516	V508-N512 HydrophobicContact CG1-CB 3.95Å; T509-N512 WeakPolarHBondContact O-CB 3.43Å; T509-N512 PolarHBondContact O-N 3.44Å; E510-N512 PolarHBondContact O-N 3.1Å; N512-A515 WeakPolarHBondContact O-CB 3.25Å; N512-A515 PolarHBondContact O-N 3.38Å; N512-A516 PolarHBondContact O-N 3.4Å
513	S	50.1	Low	53.9	Low	72 Å²	72	84.9 Å²	84.9	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-60.7	-43.7	172.7	61.9	0	0	0	0	111.9	E510 A511 A515 A516 V517	E510-S513 VanDerWaalsContact O-CB 3.26Å; E510-S513 WeakPolarHBondContact O-CB 3.21Å; E510-S513 PolarHBondContact O-N 3.31Å; E510-S513 VanDerWaalsContact O-N 3.14Å; E510-S513 PolarHBondContact O-OG 3.35Å; A511-S513 VanDerWaalsContact C-N 3.26Å; A511-S513 PolarHBondContact O-N 3.06Å; S513-A515 VanDerWaalsContact C-N 3.31Å; S513-A515 PolarHBondContact O-N 3.15Å; S513-A516 PolarHBondContact O-N 3.27Å; S513-V517 WeakPolarHBondContact O-CG2 3.39Å; S513-V517 PolarHBondContact O-N 2.99Å
514	G	53.2	Low	54.2	Low	27 Å²	27	89.5 Å²	89.5	28%	0.278	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-39.7	174.5	0	0	0	0	0	112.7	V517 A518	G514-V517 PolarHBondContact O-N 2.96Å; G514-A518 WeakPolarHBondContact O-CB 3.22Å; G514-A518 PolarHBondContact O-N 3.45Å
515	A	54.4	Low	54.7	Low	4 Å²	4	84.3 Å²	84.3	3%	0.033	45%	0.448	C	S	.	.	H	α-helix	trans	-64.6	-42.2	174.8	0	0	0	0	0	112.2	N512 S513 A518 L519 Y595 G600 Y602	N512-A515 WeakPolarHBondContact O-CB 3.25Å; N512-A515 PolarHBondContact O-N 3.38Å; S513-A515 VanDerWaalsContact C-N 3.31Å; S513-A515 PolarHBondContact O-N 3.15Å; A515-A518 PolarHBondContact O-N 3Å; A515-L519 WeakPolarHBondContact O-CB 3.18Å; A515-L519 WeakPolarHBondContact O-CG 3.42Å; A515-L519 PolarHBondContact O-N 3.33Å; A515-Y595 HydrophobicContact CB-CE2 3.59Å; A515-G600 VanDerWaalsContact CB-O 3.24Å; A515-G600 WeakPolarHBondContact CB-O 3.39Å; A515-Y602 HydrophobicContact CB-CE2 4.12Å
516	A	54.8	Low	55.3	Low	48 Å²	48	84.4 Å²	84.4	40%	0.397	45%	0.445	S	S	.	.	H	α-helix	trans	-65	-37.7	175.7	0	0	0	0	0	112.3	N512 S513 S520	N512-A516 PolarHBondContact O-N 3.4Å; S513-A516 PolarHBondContact O-N 3.27Å; A516-S520 VanDerWaalsContact O-CB 3.23Å; A516-S520 WeakPolarHBondContact O-CB 3.16Å; A516-S520 PolarHBondContact O-N 3.19Å; A516-S520 PolarHBondContact O-OG 3.22Å
517	V	62.6	Low	55.8	Low	103 Å²	103	83 Å²	83	62%	0.624	44%	0.439	S	S	*	.	H	α-helix	trans	-66.5	-45.1	173.4	172.1	0	0	0	0	111.2	S513 G514 S520 A521	S513-V517 WeakPolarHBondContact O-CG2 3.39Å; S513-V517 PolarHBondContact O-N 2.99Å; G514-V517 PolarHBondContact O-N 2.96Å; V517-S520 PolarHBondContact O-N 3.43Å; V517-A521 WeakPolarHBondContact O-CB 3.46Å; V517-A521 PolarHBondContact O-N 3.35Å
518	A	56.3	Low	56.1	Low	9 Å²	9	82.9 Å²	82.9	7%	0.074	44%	0.436	C	S	.	.	H	α-helix	trans	-61.5	-47.5	177.3	0	0	0	0	0	112	G514 A515 S520 A521 I522 Y577	G514-A518 WeakPolarHBondContact O-CB 3.22Å; G514-A518 PolarHBondContact O-N 3.45Å; A515-A518 PolarHBondContact O-N 3Å; A518-S520 VanDerWaalsContact C-N 3.33Å; A518-S520 PolarHBondContact O-N 2.89Å; A518-A521 PolarHBondContact O-N 2.88Å; A518-I522 WeakPolarHBondContact O-CB 3.42Å; A518-I522 VanDerWaalsContact O-CG1 3.29Å; A518-I522 WeakPolarHBondContact O-CG1 3.33Å; A518-I522 PolarHBondContact O-N 3.37Å; A518-Y577 HydrophobicContact CB-CE2 4.25Å
519	L	63	Low	56.5	Low	72 Å²	72	82 Å²	82	38%	0.377	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-39.8	175	-71.4	169.1	0	0	0	112	A515 I522 Q523 Y595	A515-L519 WeakPolarHBondContact O-CB 3.18Å; A515-L519 WeakPolarHBondContact O-CG 3.42Å; A515-L519 PolarHBondContact O-N 3.33Å; L519-I522 PolarHBondContact O-N 3.34Å; L519-Q523 VanDerWaalsContact O-CB 3.31Å; L519-Q523 WeakPolarHBondContact O-CB 3.15Å; L519-Q523 PolarHBondContact O-N 3.04Å; L519-Y595 WeakPolarHBondContact CG-OH 3.4Å
520	S	63.4	Low	56.5	Low	58 Å²	58	83.4 Å²	83.4	41%	0.406	44%	0.444	S	S	.	.	H	α-helix	trans	-65.4	-38.4	175.6	-63.5	0	0	0	0	112.4	A516 V517 A518 R524	A516-S520 VanDerWaalsContact O-CB 3.23Å; A516-S520 WeakPolarHBondContact O-CB 3.16Å; A516-S520 PolarHBondContact O-N 3.19Å; A516-S520 PolarHBondContact O-OG 3.22Å; V517-S520 PolarHBondContact O-N 3.43Å; A518-S520 VanDerWaalsContact C-N 3.33Å; A518-S520 PolarHBondContact O-N 2.89Å; S520-R524 VanDerWaalsContact O-CB 3.27Å; S520-R524 WeakPolarHBondContact O-CB 3.32Å; S520-R524 WeakPolarHBondContact O-CG 3.29Å; S520-R524 PolarHBondContact O-N 2.89Å
521	A	62	Low	56.3	Low	50 Å²	50	84.8 Å²	84.8	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-48.9	175	0	0	0	0	0	111.1	V517 A518 Q523 R524 K525	V517-A521 WeakPolarHBondContact O-CB 3.46Å; V517-A521 PolarHBondContact O-N 3.35Å; A518-A521 PolarHBondContact O-N 2.88Å; A521-Q523 PolarHBondContact O-N 2.81Å; A521-R524 PolarHBondContact O-N 3.3Å; A521-K525 WeakPolarHBondContact O-CB 3.19Å; A521-K525 PolarHBondContact O-N 3.45Å
522	I	64.6	Low	55.8	Low	22 Å²	22	90.7 Å²	90.7	11%	0.113	47%	0.473	C	S	.	.	H	α-helix	trans	-58.6	-47.5	176.9	-69.1	165.4	0	0	0	110.5	A518 L519 R524 K525 Q526	A518-I522 WeakPolarHBondContact O-CB 3.42Å; A518-I522 VanDerWaalsContact O-CG1 3.29Å; A518-I522 WeakPolarHBondContact O-CG1 3.33Å; A518-I522 PolarHBondContact O-N 3.37Å; L519-I522 PolarHBondContact O-N 3.34Å; I522-R524 PolarHBondContact O-N 2.89Å; I522-K525 PolarHBondContact O-N 2.78Å; I522-Q526 HydrophobicContact CG2-CG 4.28Å; I522-Q526 WeakPolarHBondContact O-CB 3.46Å; I522-Q526 VanDerWaalsContact O-CG 3.29Å; I522-Q526 WeakPolarHBondContact O-CG 3.29Å; I522-Q526 PolarHBondContact O-N 3.2Å
523	Q	66.8	Low	55.1	Low	119 Å²	119	97 Å²	97	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-68	-36.2	-179.5	-165.8	179.5	71.8	0	0	112.6	L519 A521 R527	L519-Q523 VanDerWaalsContact O-CB 3.31Å; L519-Q523 WeakPolarHBondContact O-CB 3.15Å; L519-Q523 PolarHBondContact O-N 3.04Å; A521-Q523 PolarHBondContact O-N 2.81Å; Q523-R527 PolarHBondContact O-N 3.39Å
524	R	61.2	Low	54.3	Low	195 Å²	195	99.4 Å²	99.4	74%	0.736	51%	0.513	S	S	*	.	H	α-helix	trans	-67.1	-36.9	172.1	-76.5	174	176.7	-175.8	-0.2	112.3	S520 A521 I522	S520-R524 VanDerWaalsContact O-CB 3.27Å; S520-R524 WeakPolarHBondContact O-CB 3.32Å; S520-R524 WeakPolarHBondContact O-CG 3.29Å; S520-R524 PolarHBondContact O-N 2.89Å; A521-R524 PolarHBondContact O-N 3.3Å; I522-R524 PolarHBondContact O-N 2.89Å
525	K	57.3	Low	53.9	Low	86 Å²	86	100 Å²	100	37%	0.374	51%	0.511	S	S	.	.	H	α-helix	trans	-74.5	-42.3	177	-137.3	-176.8	-171.4	-170.2	0	111.1	A521 I522 R527 K528 V529 E573 T574	A521-K525 WeakPolarHBondContact O-CB 3.19Å; A521-K525 PolarHBondContact O-N 3.45Å; I522-K525 PolarHBondContact O-N 2.78Å; K525-R527 VanDerWaalsContact C-N 3.33Å; K525-R527 PolarHBondContact O-N 3.5Å; K525-K528 CarbonylContact O-C 3.57Å; K525-K528 WeakPolarHBondContact O-CA 3.21Å; K525-K528 PolarHBondContact O-N 3.13Å; K525-V529 HydrophobicContact CG-CG2 4.25Å; K525-V529 WeakPolarHBondContact O-CG2 3.38Å; K525-V529 PolarHBondContact O-N 3.33Å; K525-E573 PolarHBondContact NZ-O 3.06Å; K525-T574 HydrophobicContact CD-CG2 4.21Å
526	Q	59.6	Low	53.9	Low	117 Å²	117	104.6 Å²	104.6	55%	0.547	54%	0.539	S	S	.	.	H	α-helix	trans	-55.5	-43.9	175.5	-78	174.2	-8.5	0	0	112.4	I522 K528 V529 S530	I522-Q526 HydrophobicContact CG2-CG 4.28Å; I522-Q526 WeakPolarHBondContact O-CB 3.46Å; I522-Q526 VanDerWaalsContact O-CG 3.29Å; I522-Q526 WeakPolarHBondContact O-CG 3.29Å; I522-Q526 PolarHBondContact O-N 3.2Å; Q526-K528 PolarHBondContact O-N 2.97Å; Q526-K528 VanDerWaalsContact O-N 3.11Å; Q526-V529 PolarHBondContact O-N 2.62Å; Q526-S530 PolarHBondContact O-N 2.81Å; Q526-S530 PolarHBondContact O-OG 3.31Å
527	R	58.2	Low	54.1	Low	194 Å²	194	105.6 Å²	105.6	73%	0.732	54%	0.543	S	S	*	.	H	α-helix	trans	-64	-11.1	174.3	-73.8	-176.2	176.9	-175.2	0.6	115	Q523 K525	Q523-R527 PolarHBondContact O-N 3.39Å; K525-R527 VanDerWaalsContact C-N 3.33Å; K525-R527 PolarHBondContact O-N 3.5Å
528	K	52	Low	54	Low	161 Å²	161	101.3 Å²	101.3	70%	0.7	52%	0.517	S	S	*	.	H	α-helix	trans	-109	-30.3	174.1	-69.6	-171.7	172.9	-171.8	0	113.5	K525 Q526 S530 Q531	K525-K528 CarbonylContact O-C 3.57Å; K525-K528 WeakPolarHBondContact O-CA 3.21Å; K525-K528 PolarHBondContact O-N 3.13Å; Q526-K528 PolarHBondContact O-N 2.97Å; Q526-K528 VanDerWaalsContact O-N 3.11Å; K528-S530 PolarHBondContact O-N 2.86Å; K528-Q531 PolarHBondContact O-N 2.7Å
529	V	50.3	Low	54.2	Low	69 Å²	69	104.8 Å²	104.8	42%	0.418	54%	0.537	S	S	.	.	H	α-helix	trans	-70.7	-20.5	179	171.2	0	0	0	0	111.9	K525 Q526 Q531 M532	K525-V529 HydrophobicContact CG-CG2 4.25Å; K525-V529 WeakPolarHBondContact O-CG2 3.38Å; K525-V529 PolarHBondContact O-N 3.33Å; Q526-V529 PolarHBondContact O-N 2.62Å; V529-Q531 PolarHBondContact O-N 2.76Å; V529-M532 PolarHBondContact O-N 3.1Å
530	S	46.4	Very low	54.4	Low	109 Å²	109	107.1 Å²	107.1	76%	0.762	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	0.7	163.9	-54	0	0	0	0	114.9	Q526 K528	Q526-S530 PolarHBondContact O-N 2.81Å; Q526-S530 PolarHBondContact O-OG 3.31Å; K528-S530 PolarHBondContact O-N 2.86Å
531	Q	48.1	Very low	54.6	Low	171 Å²	171	105.2 Å²	105.2	80%	0.799	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	2.9	-179.8	-65.2	-173.5	-27.9	0	0	114.7	K528 V529	K528-Q531 PolarHBondContact O-N 2.7Å; V529-Q531 PolarHBondContact O-N 2.76Å
532	M	37.6	Very low	54.9	Low	161 Å²	161	106.2 Å²	106.2	79%	0.793	53%	0.529	S	S	*	.			trans	-152	127.8	178.1	-105.9	171.3	179.2	0	0	112.9	V529	V529-M532 PolarHBondContact O-N 3.1Å
533	E	35.5	Very low	55.2	Low	190 Å²	190	109.8 Å²	109.8	89%	0.888	55%	0.551	S	S	*	*			trans	-79.2	125.7	178.4	-58.3	168.9	120.3	0	0	111.3
534	T	34.2	Very low	55.5	Low	123 Å²	123	106.3 Å²	106.3	76%	0.755	54%	0.543	S	S	*	.			trans	169.5	105.2	148.5	-75.6	0	0	0	0	109.2
535	T	44.8	Very low	56.1	Low	39 Å²	39	97.6 Å²	97.6	24%	0.239	51%	0.511	C	S	.	.			trans	170	42.9	158.3	28	0	0	0	0	111.7	S537	T535-S537 PolarHBondContact O-N 3.28Å
536	V	53	Low	56.6	Low	100 Å²	100	99.3 Å²	99.3	61%	0.606	52%	0.524	S	S	*	.	H	α-helix	trans	-55.5	-46.7	-167.5	-176.3	0	0	0	0	113.8	V538 T539 E540	V536-V538 PolarHBondContact O-N 3.23Å; V536-T539 PolarHBondContact O-N 3.39Å; V536-T539 PolarHBondContact O-OG1 2.82Å; V536-E540 HydrophobicContact CG1-CG 4.49Å; V536-E540 PolarHBondContact O-N 2.84Å
537	S	59.8	Low	57.1	Low	69 Å²	69	97.8 Å²	97.8	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-70	-26.4	-168.7	53.9	0	0	0	0	115.2	T535 A541 Q570	T535-S537 PolarHBondContact O-N 3.28Å; S537-A541 PolarHBondContact O-N 3.35Å; S537-Q570 PolarHBondContact O-NE2 3.48Å; S537-Q570 PolarHBondContact OG-NE2 3.35Å
538	V	59.8	Low	57.6	Low	14 Å²	14	96.6 Å²	96.6	9%	0.085	53%	0.526	C	S	.	.	H	α-helix	trans	-77.1	-32	176.7	179.5	0	0	0	0	110.7	V536 K542 Q570 D572	V536-V538 PolarHBondContact O-N 3.23Å; V538-K542 WeakPolarHBondContact O-CB 3.48Å; V538-K542 PolarHBondContact O-N 2.96Å; V538-K542 VanDerWaalsContact O-N 3.15Å; V538-Q570 HydrophobicContact CG2-CG 4.14Å; V538-D572 HydrophobicContact CG1-CB 4.14Å
539	T	61	Low	58	Low	81 Å²	81	92.2 Å²	92.2	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-70.3	-38.4	178.3	68.7	0	0	0	0	111.1	V536 K542 V543	V536-T539 PolarHBondContact O-N 3.39Å; V536-T539 PolarHBondContact O-OG1 2.82Å; T539-K542 PolarHBondContact O-N 2.87Å; T539-V543 WeakPolarHBondContact O-CB 3.4Å; T539-V543 VanDerWaalsContact O-CG2 3.29Å; T539-V543 WeakPolarHBondContact O-CG2 3.43Å; T539-V543 PolarHBondContact O-N 2.87Å
540	E	67.1	Low	58.9	Low	121 Å²	121	93.7 Å²	93.7	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-58.9	-49.6	173.5	-68.5	176.7	162.2	0	0	112.2	V536 K542 V543 A544	V536-E540 HydrophobicContact CG1-CG 4.49Å; V536-E540 PolarHBondContact O-N 2.84Å; E540-K542 VanDerWaalsContact C-N 3.32Å; E540-K542 PolarHBondContact O-N 2.84Å; E540-V543 PolarHBondContact O-N 3.42Å; E540-A544 WeakPolarHBondContact O-CB 3.47Å; E540-A544 PolarHBondContact O-N 2.79Å
541	A	67.8	Low	60.2	Low	18 Å²	18	91.1 Å²	91.1	15%	0.149	51%	0.511	C	S	.	.	H	α-helix	trans	-60.3	-41.2	178.3	0	0	0	0	0	112.3	S537 A544 F545 Y579 H581	S537-A541 PolarHBondContact O-N 3.35Å; A541-A544 PolarHBondContact O-N 2.84Å; A541-F545 PolarHBondContact O-N 3.17Å; A541-Y579 HydrophobicContact CB-CE1 4.26Å; A541-H581 HydrophobicContact CB-CB 4.5Å
542	K	68.1	Low	61.8	Low	71 Å²	71	83.1 Å²	83.1	31%	0.309	47%	0.474	S	S	.	.	H	α-helix	trans	-71.2	-36.7	179.4	-168.6	165.8	-174.3	168.2	0	112.9	V538 T539 E540 L546 Y579 Y586	V538-K542 WeakPolarHBondContact O-CB 3.48Å; V538-K542 PolarHBondContact O-N 2.96Å; V538-K542 VanDerWaalsContact O-N 3.15Å; T539-K542 PolarHBondContact O-N 2.87Å; E540-K542 VanDerWaalsContact C-N 3.32Å; E540-K542 PolarHBondContact O-N 2.84Å; K542-L546 WeakPolarHBondContact O-CG 3.49Å; K542-L546 PolarHBondContact O-N 3.04Å; K542-Y579 HydrophobicContact CB-CE1 4.22Å; K542-Y586 PolarHBondContact NZ-OH 3.34Å
543	V	71.1	Confident	64.1	Low	97 Å²	97	75.5 Å²	75.5	59%	0.588	44%	0.437	S	S	*	.	H	α-helix	trans	-66.2	-40.2	171	169	0	0	0	0	110.6	T539 E540 L546 A547	T539-V543 WeakPolarHBondContact O-CB 3.4Å; T539-V543 VanDerWaalsContact O-CG2 3.29Å; T539-V543 WeakPolarHBondContact O-CG2 3.43Å; T539-V543 PolarHBondContact O-N 2.87Å; E540-V543 PolarHBondContact O-N 3.42Å; V543-L546 PolarHBondContact O-N 2.64Å; V543-A547 VanDerWaalsContact O-CB 3.27Å; V543-A547 WeakPolarHBondContact O-CB 3.37Å; V543-A547 PolarHBondContact O-N 3.2Å
544	A	73.2	Confident	66.2	Low	47 Å²	47	70.2 Å²	70.2	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-64.8	-39.4	177.9	0	0	0	0	0	113	E540 A541 A547 R548	E540-A544 WeakPolarHBondContact O-CB 3.47Å; E540-A544 PolarHBondContact O-N 2.79Å; A541-A544 PolarHBondContact O-N 2.84Å; A544-A547 PolarHBondContact O-N 2.89Å; A544-R548 WeakPolarHBondContact O-CG 3.3Å; A544-R548 PolarHBondContact O-N 3.37Å
545	F	74.2	Confident	68.3	Low	12 Å²	12	65 Å²	65	5%	0.053	38%	0.381	C	S	.	.	H	α-helix	trans	-61.9	-50.4	173	179.7	-98.1	0	0	0	111.4	A541 A547 R548 E550 V582	A541-F545 PolarHBondContact O-N 3.17Å; F545-A547 VanDerWaalsContact C-N 3.28Å; F545-A547 PolarHBondContact O-N 3.47Å; F545-R548 PolarHBondContact O-N 2.79Å; F545-R548 VanDerWaalsContact O-N 3.09Å; F545-E550 WeakPolarHBondContact CE1-O 3.48Å; F545-E550 HydrophobicContact CE2-CB 4.07Å; F545-E550 HydrophobicContact CZ-CB 4.28Å; F545-E550 VanDerWaalsContact CZ-O 3.3Å; F545-E550 WeakPolarHBondContact CZ-O 3.48Å; F545-V582 WeakPolarHBondContact CE2-O 3.32Å
546	L	66.3	Low	70	Confident	122 Å²	122	69.5 Å²	69.5	64%	0.639	40%	0.404	S	S	*	.	H	α-helix	trans	-60.8	-35.8	177.5	-68.9	170.1	0	0	0	112.5	K542 V543 R548 G549	K542-L546 WeakPolarHBondContact O-CG 3.49Å; K542-L546 PolarHBondContact O-N 3.04Å; V543-L546 PolarHBondContact O-N 2.64Å; L546-R548 VanDerWaalsContact C-N 3.26Å; L546-R548 PolarHBondContact O-N 3.12Å; L546-G549 PolarHBondContact O-N 2.83Å
547	A	70.4	Confident	70.9	Confident	85 Å²	85	67.8 Å²	67.8	70%	0.702	39%	0.392	S	S	*	.	H	α-helix	trans	-69.3	-17.3	177.5	0	0	0	0	0	114.2	V543 A544 F545	V543-A547 VanDerWaalsContact O-CB 3.27Å; V543-A547 WeakPolarHBondContact O-CB 3.37Å; V543-A547 PolarHBondContact O-N 3.2Å; A544-A547 PolarHBondContact O-N 2.89Å; F545-A547 VanDerWaalsContact C-N 3.28Å; F545-A547 PolarHBondContact O-N 3.47Å
548	R	70.2	Confident	71.6	Confident	168 Å²	168	68 Å²	68	63%	0.634	41%	0.405	S	S	*	.	H	α-helix	trans	-83	-15.5	172.6	-67.7	176.6	-174.5	-175.3	2	113.4	A544 F545 L546 E550	A544-R548 WeakPolarHBondContact O-CG 3.3Å; A544-R548 PolarHBondContact O-N 3.37Å; F545-R548 PolarHBondContact O-N 2.79Å; F545-R548 VanDerWaalsContact O-N 3.09Å; L546-R548 VanDerWaalsContact C-N 3.26Å; L546-R548 PolarHBondContact O-N 3.12Å; R548-E550 HydrophobicContact CB-CG 3.95Å; R548-E550 WeakPolarHBondContact CD-OE2 3.46Å; R548-E550 IonicContact NH1-OE2 3.71Å; R548-E550 PolarHBondContact O-N 3.29Å
549	G	60.1	Low	72.7	Confident	69 Å²	69	72.1 Å²	72.1	71%	0.711	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	17.3	-176	0	0	0	0	0	114.3	L546	L546-G549 PolarHBondContact O-N 2.83Å
550	E	67.9	Low	73.8	Confident	100 Å²	100	76.3 Å²	76.3	47%	0.467	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-80.5	133.5	178.9	-64.1	-179.4	112.5	0	0	110.4	F545 R548	F545-E550 WeakPolarHBondContact CE1-O 3.48Å; F545-E550 HydrophobicContact CE2-CB 4.07Å; F545-E550 HydrophobicContact CZ-CB 4.28Å; F545-E550 VanDerWaalsContact CZ-O 3.3Å; F545-E550 WeakPolarHBondContact CZ-O 3.48Å; R548-E550 HydrophobicContact CB-CG 3.95Å; R548-E550 WeakPolarHBondContact CD-OE2 3.46Å; R548-E550 IonicContact NH1-OE2 3.71Å; R548-E550 PolarHBondContact O-N 3.29Å
551	S	73.9	Confident	74.7	Confident	55 Å²	55	72.9 Å²	72.9	39%	0.385	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-92.1	133.1	-176.8	64.2	0	0	0	0	111.8	K559	S551-K559 PolarHBondContact OG-NZ 3.04Å
552	A	82.5	Confident	75.7	Confident	3 Å²	3	79.2 Å²	79.2	3%	0.025	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-64.5	139.9	-179.8	0	0	0	0	0	112.5	K554 T583 L585 N596 E598	A552-K554 VanDerWaalsContact O-CG 3.27Å; A552-K554 WeakPolarHBondContact O-CG 3.48Å; A552-K554 PolarHBondContact O-N 3.29Å; A552-T583 WeakPolarHBondContact CA-O 3.33Å; A552-L585 HydrophobicContact CB-CD2 4.43Å; A552-N596 PolarHBondContact O-ND2 3.43Å; A552-E598 HydrophobicContact CB-CG 4.3Å; A552-E598 WeakPolarHBondContact CB-OE1 3.28Å; A552-E598 PolarHBondContact N-OE1 3.32Å
553	P	85.1	Confident	76.5	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.013	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-58.3	123.9	-178.2	-24.8	33.1	0	0	0	113.3	Y561 T583 L585 N596 L603 Y612	P553-Y561 HydrophobicContact CB-CE1 4.46Å; P553-Y561 HydrophobicContact CB-CE2 4.06Å; P553-Y561 HydrophobicContact CG-CD1 4.44Å; P553-Y561 HydrophobicContact CG-CE1 3.77Å; P553-Y561 HydrophobicContact CG-CE2 4.16Å; P553-T583 WeakPolarHBondContact CD-O 3.41Å; P553-T583 HydrophobicContact CG-CG2 4.39Å; P553-L585 HydrophobicContact CB-CD1 4.31Å; P553-L585 HydrophobicContact CG-CD1 4.02Å; P553-L585 HydrophobicContact CG-CG 4.44Å; P553-N596 PolarHBondContact O-ND2 2.92Å; P553-L603 WeakPolarHBondContact O-CD1 3.21Å; P553-Y612 HydrophobicContact CB-CD2 3.77Å; P553-Y612 HydrophobicContact CB-CG 4.2Å; P553-Y612 HydrophobicContact CG-CD2 3.79Å; P553-Y612 HydrophobicContact CG-CE2 4.17Å
554	K	80.8	Confident	77.3	Confident	79 Å²	79	77 Å²	77	34%	0.343	44%	0.439	S	S	.	.			trans	-98	-3.4	-173	-49.7	-165.6	-179.3	-154.9	0	113.6	A552 N556 D557 E598 T599	A552-K554 VanDerWaalsContact O-CG 3.27Å; A552-K554 WeakPolarHBondContact O-CG 3.48Å; A552-K554 PolarHBondContact O-N 3.29Å; K554-N556 VanDerWaalsContact C-N 3.32Å; K554-N556 PolarHBondContact O-N 2.93Å; K554-D557 PolarHBondContact N-OD2 3Å; K554-E598 WeakPolarHBondContact CE-OE2 3.39Å; K554-E598 IonicContact NZ-OE2 3.89Å; K554-E598 PolarHBondContact NZ-OE2 2.74Å; K554-T599 HydrophobicContact CB-CG2 3.97Å; K554-T599 HydrophobicContact CD-CG2 4Å; K554-T599 HydrophobicContact CG-CG2 3.88Å
555	G	78.4	Confident	77.9	Confident	12 Å²	12	77.7 Å²	77.7	12%	0.124	44%	0.437	C	S	.	.	S	Bend	trans	88.2	-12.3	175.7	0	0	0	0	0	115.8	Y612	G555-Y612 WeakPolarHBondContact CA-O 3.48Å
556	N	78.9	Confident	78.6	Confident	135 Å²	135	80.2 Å²	80.2	72%	0.722	45%	0.453	S	S	*	.			trans	-117.9	4.1	178.3	-71.8	-10.7	0	0	0	113.2	K554 G558	K554-N556 VanDerWaalsContact C-N 3.32Å; K554-N556 PolarHBondContact O-N 2.93Å; N556-G558 VanDerWaalsContact C-N 3.29Å; N556-G558 PolarHBondContact O-N 3.49Å
557	D	72.8	Confident	79.7	Confident	64 Å²	64	79.3 Å²	79.3	34%	0.342	46%	0.457	S	S	.	.	S	Bend	trans	-75.9	-8.5	-165.8	-47.3	-59.7	0	0	0	115.2	K554 K559	K554-D557 PolarHBondContact N-OD2 3Å; D557-K559 HydrophobicContact CB-CB 4.48Å; D557-K559 HydrophobicContact CB-CD 4.23Å; D557-K559 HydrophobicContact CB-CG 4.16Å; D557-K559 PolarHBondContact O-N 3.43Å
558	G	74.8	Confident	80.6	Confident	74 Å²	74	81.2 Å²	81.2	76%	0.763	45%	0.449	S	S	*	.			trans	66.8	-10.6	-175.7	0	0	0	0	0	116	N556	N556-G558 VanDerWaalsContact C-N 3.29Å; N556-G558 PolarHBondContact O-N 3.49Å
559	K	81.6	Confident	81.6	Confident	100 Å²	100	74.2 Å²	74.2	44%	0.435	42%	0.423	S	S	.	.			trans	-60.6	141.1	176.1	-66.4	175.1	179.6	176.7	0	111.3	S551 D557 Y561 T611	S551-K559 PolarHBondContact OG-NZ 3.04Å; D557-K559 HydrophobicContact CB-CB 4.48Å; D557-K559 HydrophobicContact CB-CD 4.23Å; D557-K559 HydrophobicContact CB-CG 4.16Å; D557-K559 PolarHBondContact O-N 3.43Å; K559-Y561 HydrophobicContact CB-CE1 4.39Å; K559-Y561 HydrophobicContact CB-CE2 3.82Å; K559-Y561 HydrophobicContact CD-CE1 4.47Å; K559-Y561 WeakPolarHBondContact CD-OH 3.22Å; K559-T611 WeakPolarHBondContact O-CB 3.47Å; K559-T611 PolarHBondContact O-OG1 3.25Å
560	K	85.5	Confident	83.1	Confident	168 Å²	168	73.7 Å²	73.7	73%	0.73	40%	0.402	S	S	*	.			trans	-91.4	147.5	162.6	-66.3	-174	177.6	-177	0	109.5	S610	K560-S610 CarbonylContact C-O 3.55Å; K560-S610 VanDerWaalsContact CA-O 3.31Å; K560-S610 WeakPolarHBondContact CA-O 3.49Å
561	Y	86.4	Confident	84.2	Confident	50 Å²	50	74.4 Å²	74.4	20%	0.196	40%	0.401	C	S	.	.			trans	-126.7	164.2	176.1	-55.6	-89.3	0	0	0	109.4	P553 K559 S610 Y612	P553-Y561 HydrophobicContact CB-CE1 4.46Å; P553-Y561 HydrophobicContact CB-CE2 4.06Å; P553-Y561 HydrophobicContact CG-CD1 4.44Å; P553-Y561 HydrophobicContact CG-CE1 3.77Å; P553-Y561 HydrophobicContact CG-CE2 4.16Å; K559-Y561 HydrophobicContact CB-CE1 4.39Å; K559-Y561 HydrophobicContact CB-CE2 3.82Å; K559-Y561 HydrophobicContact CD-CE1 4.47Å; K559-Y561 WeakPolarHBondContact CD-OH 3.22Å; Y561-S610 PolarHBondContact N-O 3.18Å; Y561-Y612 AromaticContact CD2-CD2 3.83Å; Y561-Y612 HydrophobicContact CD2-CD2 3.83Å; Y561-Y612 HydrophobicContact CD2-CE2 4.2Å; Y561-Y612 HydrophobicContact CE2-CD2 4.11Å; Y561-Y612 HydrophobicContact CG-CD2 4.27Å; Y561-Y612 HydrophobicContact CG-CE2 4.18Å
562	D	86.9	Confident	84.8	Confident	150 Å²	150	72 Å²	72	80%	0.802	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-66.5	157.3	169.9	-68.5	-41.3	0	0	0	111.1	W605	D562-W605 VanDerWaalsContact O-CH2 3.32Å; D562-W605 WeakPolarHBondContact O-CH2 3.17Å
563	T	86.6	Confident	85	Confident	91 Å²	91	77.9 Å²	77.9	56%	0.558	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-63.2	124.9	178.3	47.9	0	0	0	0	110.7	D565 W605	T563-D565 PolarHBondContact O-N 3.38Å; T563-W605 HydrophobicContact CG2-CZ2 4.29Å
564	P	86.8	Confident	84.8	Confident	30 Å²	30	79.8 Å²	79.8	20%	0.195	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-61.7	127.4	-176.3	21.5	-31.3	0	0	0	111.8	Y569 Y594 W605	P564-Y569 WeakPolarHBondContact CB-OH 3.48Å; P564-Y594 HydrophobicContact CB-CE1 4.33Å; P564-Y594 WeakPolarHBondContact CB-OH 3.13Å; P564-Y594 WeakPolarHBondContact CG-OH 3.47Å; P564-W605 VanDerWaalsContact CD-CD2 3.47Å; P564-W605 HydrophobicContact CG-CB 4.31Å; P564-W605 HydrophobicContact CG-CD2 3.72Å; P564-W605 HydrophobicContact CG-CE3 4.17Å; P564-W605 HydrophobicContact CG-CG 3.75Å
565	D	87.1	Confident	85	Confident	63 Å²	63	77 Å²	77	34%	0.337	41%	0.413	S	S	.	.			trans	-109.4	95	177.9	-177.6	-1.5	0	0	0	110	T563 S567 K568	T563-D565 PolarHBondContact O-N 3.38Å; D565-S567 VanDerWaalsContact CG-OG 3.24Å; D565-S567 PolarHBondContact O-N 3.03Å; D565-S567 VanDerWaalsContact OD1-CB 3.31Å; D565-S567 WeakPolarHBondContact OD1-CB 3.39Å; D565-S567 PolarHBondContact OD1-N 3.49Å; D565-S567 VanDerWaalsContact OD1-N 3.07Å; D565-S567 PolarHBondContact OD1-OG 3.43Å; D565-S567 PolarHBondContact OD2-OG 3.49Å; D565-K568 HydrophobicContact CB-CG 4.38Å; D565-K568 PolarHBondContact O-N 3.34Å; D565-K568 IonicContact OD2-NZ 3.22Å; D565-K568 PolarHBondContact OD2-NZ 2.8Å
566	V	87.7	Confident	85.4	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.388	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-58.4	-20.6	-177.7	-171	0	0	0	0	112.5	K568 Y569 Y587	V566-K568 PolarHBondContact O-N 3.27Å; V566-Y569 HydrophobicContact CB-CD2 4.25Å; V566-Y569 HydrophobicContact CB-CE2 4.25Å; V566-Y569 HydrophobicContact CG1-CD2 4.01Å; V566-Y569 HydrophobicContact CG1-CE2 4.38Å; V566-Y569 HydrophobicContact CG2-CD2 4.48Å; V566-Y569 HydrophobicContact CG2-CE2 4.04Å; V566-Y569 PolarHBondContact O-N 2.73Å; V566-Y587 HydrophobicContact CG1-CD1 3.97Å; V566-Y587 HydrophobicContact CG1-CE1 3.62Å; V566-Y587 HydrophobicContact CG2-CE1 4.27Å
567	S	89.5	Confident	86	Confident	103 Å²	103	73.6 Å²	73.6	72%	0.72	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-68.6	-15.9	176.3	74.4	0	0	0	0	114.1	D565	D565-S567 VanDerWaalsContact CG-OG 3.24Å; D565-S567 PolarHBondContact O-N 3.03Å; D565-S567 VanDerWaalsContact OD1-CB 3.31Å; D565-S567 WeakPolarHBondContact OD1-CB 3.39Å; D565-S567 PolarHBondContact OD1-N 3.49Å; D565-S567 VanDerWaalsContact OD1-N 3.07Å; D565-S567 PolarHBondContact OD1-OG 3.43Å; D565-S567 PolarHBondContact OD2-OG 3.49Å
568	K	89.1	Confident	86.9	Confident	125 Å²	125	74.7 Å²	74.7	54%	0.543	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-92.8	-8.9	178.7	-60.6	-169.2	177.5	78.1	0	114.1	D565 V566	D565-K568 HydrophobicContact CB-CG 4.38Å; D565-K568 PolarHBondContact O-N 3.34Å; D565-K568 IonicContact OD2-NZ 3.22Å; D565-K568 PolarHBondContact OD2-NZ 2.8Å; V566-K568 PolarHBondContact O-N 3.27Å
569	Y	92.2	Very high	87.8	Confident	21 Å²	21	71.4 Å²	71.4	8%	0.082	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-81.5	141	-170.8	-57.1	-18.6	0	0	0	112.8	P564 V566 D580 Y587 Y594	P564-Y569 WeakPolarHBondContact CB-OH 3.48Å; V566-Y569 HydrophobicContact CB-CD2 4.25Å; V566-Y569 HydrophobicContact CB-CE2 4.25Å; V566-Y569 HydrophobicContact CG1-CD2 4.01Å; V566-Y569 HydrophobicContact CG1-CE2 4.38Å; V566-Y569 HydrophobicContact CG2-CD2 4.48Å; V566-Y569 HydrophobicContact CG2-CE2 4.04Å; V566-Y569 PolarHBondContact O-N 2.73Å; Y569-D580 HydrophobicContact CD1-CB 3.68Å; Y569-D580 HydrophobicContact CE1-CB 3.47Å; Y569-D580 VanDerWaalsContact CE1-CB 3.47Å; Y569-D580 WeakPolarHBondContact CE1-OD1 3.37Å; Y569-D580 HydrophobicContact CG-CB 4.32Å; Y569-Y587 HydrophobicContact CD2-CD1 4.11Å; Y569-Y587 HydrophobicContact CD2-CG 4.12Å; Y569-Y587 HydrophobicContact CE2-CD1 4.35Å; Y569-Y587 HydrophobicContact CE2-CG 4.03Å; Y569-Y594 AromaticContact CE2-CE1 3.94Å; Y569-Y594 HydrophobicContact CE2-CE1 3.94Å
570	Q	89.9	Confident	88.3	Confident	59 Å²	59	66.9 Å²	66.9	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.9	-175.1	-171.8	178	-0.9	0	0	110.5	S537 V538 D572 Y579	S537-Q570 PolarHBondContact O-NE2 3.48Å; S537-Q570 PolarHBondContact OG-NE2 3.35Å; V538-Q570 HydrophobicContact CG2-CG 4.14Å; Q570-D572 PolarHBondContact O-N 3.38Å; Q570-Y579 PolarHBondContact N-O 3.22Å; Q570-Y579 PolarHBondContact O-N 2.98Å
571	Y	91.5	Very high	88.4	Confident	115 Å²	115	63 Å²	63	45%	0.451	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.9	-179.7	-172.6	-107.8	0	0	0	112.1	E573 G576 Y578	Y571-E573 HydrophobicContact CD1-CG 4.21Å; Y571-E573 HydrophobicContact CE1-CG 4.07Å; Y571-G576 WeakPolarHBondContact CE2-O 3.49Å; Y571-Y578 HydrophobicContact CD2-CD1 4.22Å; Y571-Y578 HydrophobicContact CD2-CD2 4.05Å; Y571-Y578 HydrophobicContact CD2-CE1 4.04Å; Y571-Y578 AromaticContact CD2-CE2 3.84Å; Y571-Y578 HydrophobicContact CD2-CE2 3.84Å; Y571-Y578 HydrophobicContact CD2-CG 4.22Å; Y571-Y578 AromaticContact CD2-CZ 3.84Å; Y571-Y578 HydrophobicContact CE2-CE2 4.29Å; Y571-Y578 HydrophobicContact CG-CE1 4.44Å
572	D	87.5	Confident	88.4	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	102.4	178.6	171.2	17.8	0	0	0	110.8	V538 Q570 T574 S575 G576 Y577 Y586	V538-D572 HydrophobicContact CG1-CB 4.14Å; Q570-D572 PolarHBondContact O-N 3.38Å; D572-T574 VanDerWaalsContact CG-OG1 3.31Å; D572-T574 PolarHBondContact O-N 3.26Å; D572-T574 WeakPolarHBondContact OD1-CA 3.32Å; D572-T574 VanDerWaalsContact OD1-CB 3.31Å; D572-T574 WeakPolarHBondContact OD1-CB 3.38Å; D572-T574 PolarHBondContact OD1-N 3.16Å; D572-T574 PolarHBondContact OD1-OG1 2.87Å; D572-T574 PolarHBondContact OD2-OG1 3.03Å; D572-S575 WeakPolarHBondContact CB-OG 3.47Å; D572-S575 VanDerWaalsContact CG-OG 3.26Å; D572-S575 PolarHBondContact O-N 3.05Å; D572-S575 PolarHBondContact O-OG 3.14Å; D572-S575 VanDerWaalsContact OD2-CB 3.28Å; D572-S575 WeakPolarHBondContact OD2-CB 3.33Å; D572-S575 PolarHBondContact OD2-N 3.05Å; D572-S575 PolarHBondContact OD2-OG 2.93Å; D572-G576 PolarHBondContact O-N 3.42Å; D572-Y577 PolarHBondContact N-O 3.34Å; D572-Y586 HydrophobicContact CB-CE1 4.22Å; D572-Y586 VanDerWaalsContact OD2-CE1 3.26Å; D572-Y586 WeakPolarHBondContact OD2-CE1 3.22Å
573	E	85.3	Confident	88.4	Confident	127 Å²	127	58 Å²	58	59%	0.593	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.9	176.7	-60.1	-175.8	179.1	0	0	114.3	K525 Y571	K525-E573 PolarHBondContact NZ-O 3.06Å; Y571-E573 HydrophobicContact CD1-CG 4.21Å; Y571-E573 HydrophobicContact CE1-CG 4.07Å
574	T	82.1	Confident	88.5	Confident	42 Å²	42	54 Å²	54	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-27.6	178.6	75.9	0	0	0	0	113.4	K525 D572	K525-T574 HydrophobicContact CD-CG2 4.21Å; D572-T574 VanDerWaalsContact CG-OG1 3.31Å; D572-T574 PolarHBondContact O-N 3.26Å; D572-T574 WeakPolarHBondContact OD1-CA 3.32Å; D572-T574 VanDerWaalsContact OD1-CB 3.31Å; D572-T574 WeakPolarHBondContact OD1-CB 3.38Å; D572-T574 PolarHBondContact OD1-N 3.16Å; D572-T574 PolarHBondContact OD1-OG1 2.87Å; D572-T574 PolarHBondContact OD2-OG1 3.03Å
575	S	84.1	Confident	88.8	Confident	21 Å²	21	52.6 Å²	52.6	15%	0.147	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-23.1	176.2	63.8	0	0	0	0	113.6	D572 Y577 Y586	D572-S575 WeakPolarHBondContact CB-OG 3.47Å; D572-S575 VanDerWaalsContact CG-OG 3.26Å; D572-S575 PolarHBondContact O-N 3.05Å; D572-S575 PolarHBondContact O-OG 3.14Å; D572-S575 VanDerWaalsContact OD2-CB 3.28Å; D572-S575 WeakPolarHBondContact OD2-CB 3.33Å; D572-S575 PolarHBondContact OD2-N 3.05Å; D572-S575 PolarHBondContact OD2-OG 2.93Å; S575-Y577 VanDerWaalsContact C-N 3.28Å; S575-Y577 PolarHBondContact OG-N 2.79Å; S575-Y586 WeakPolarHBondContact OG-CD1 3.23Å; S575-Y586 WeakPolarHBondContact OG-CE1 3.21Å
576	G	87.4	Confident	89.1	Confident	36 Å²	36	49.9 Å²	49.9	37%	0.371	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	4.4	-174.7	0	0	0	0	0	114.1	Y571 D572	Y571-G576 WeakPolarHBondContact CE2-O 3.49Å; D572-G576 PolarHBondContact O-N 3.42Å
577	Y	90.4	Very high	89.4	Confident	39 Å²	39	48 Å²	48	15%	0.153	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	166.3	-176.2	-59.1	-51.4	0	0	0	111.7	A518 D572 S575 D588 Y602	A518-Y577 HydrophobicContact CB-CE2 4.25Å; D572-Y577 PolarHBondContact N-O 3.34Å; S575-Y577 VanDerWaalsContact C-N 3.28Å; S575-Y577 PolarHBondContact OG-N 2.79Å; Y577-D588 HydrophobicContact CD1-CB 3.69Å; Y577-D588 HydrophobicContact CE1-CB 3.68Å; Y577-Y602 PolarHBondContact OH-OH 2.82Å
578	Y	93	Very high	89.4	Confident	87 Å²	87	44.1 Å²	44.1	34%	0.341	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.2	173.7	-71.1	-96.8	0	0	0	109.7	Y571 Y586 Y587 A589	Y571-Y578 HydrophobicContact CD2-CD1 4.22Å; Y571-Y578 HydrophobicContact CD2-CD2 4.05Å; Y571-Y578 HydrophobicContact CD2-CE1 4.04Å; Y571-Y578 AromaticContact CD2-CE2 3.84Å; Y571-Y578 HydrophobicContact CD2-CE2 3.84Å; Y571-Y578 HydrophobicContact CD2-CG 4.22Å; Y571-Y578 AromaticContact CD2-CZ 3.84Å; Y571-Y578 HydrophobicContact CE2-CE2 4.29Å; Y571-Y578 HydrophobicContact CG-CE1 4.44Å; Y578-Y586 CarbonylContact O-C 3.49Å; Y578-Y587 PolarHBondContact N-O 3.09Å; Y578-Y587 PolarHBondContact O-N 3.02Å; Y578-A589 HydrophobicContact CD2-CB 4.25Å; Y578-A589 HydrophobicContact CE2-CB 3.93Å
579	Y	93.2	Very high	89.3	Confident	5 Å²	5	40.6 Å²	40.6	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.2	178.9	-178.3	-118.6	0	0	0	111.3	A541 K542 Q570 H581 Y586	A541-Y579 HydrophobicContact CB-CE1 4.26Å; K542-Y579 HydrophobicContact CB-CE1 4.22Å; Q570-Y579 PolarHBondContact N-O 3.22Å; Q570-Y579 PolarHBondContact O-N 2.98Å; Y579-H581 HydrophobicContact CE1-CB 4.49Å; Y579-Y586 HydrophobicContact CD2-CD1 4.12Å; Y579-Y586 HydrophobicContact CD2-CD2 4.2Å; Y579-Y586 AromaticContact CD2-CE1 3.77Å; Y579-Y586 HydrophobicContact CD2-CE1 3.77Å; Y579-Y586 AromaticContact CD2-CE2 3.87Å; Y579-Y586 HydrophobicContact CD2-CE2 3.87Å; Y579-Y586 HydrophobicContact CD2-CG 4.34Å; Y579-Y586 AromaticContact CD2-CZ 3.68Å; Y579-Y586 HydrophobicContact CE2-CE2 4.14Å; Y579-Y586 HydrophobicContact CG-CE1 4.21Å
580	D	91.2	Very high	89	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.032	25%	0.248	C	C	.	.			trans	-90.7	110.3	170	179.5	12.3	0	0	0	110.6	Y569 V582 T583 G584 L585	Y569-D580 HydrophobicContact CD1-CB 3.68Å; Y569-D580 HydrophobicContact CE1-CB 3.47Å; Y569-D580 VanDerWaalsContact CE1-CB 3.47Å; Y569-D580 WeakPolarHBondContact CE1-OD1 3.37Å; Y569-D580 HydrophobicContact CG-CB 4.32Å; D580-V582 PolarHBondContact O-N 3.1Å; D580-V582 WeakPolarHBondContact OD1-CB 3.41Å; D580-V582 PolarHBondContact OD1-N 3.36Å; D580-T583 WeakPolarHBondContact OD2-CB 3.48Å; D580-T583 VanDerWaalsContact OD2-CG2 3.27Å; D580-T583 WeakPolarHBondContact OD2-CG2 3.47Å; D580-T583 PolarHBondContact OD2-N 3.03Å; D580-T583 PolarHBondContact OD2-OG1 3.06Å; D580-G584 VanDerWaalsContact O-CA 3.31Å; D580-G584 WeakPolarHBondContact O-CA 3.48Å; D580-G584 PolarHBondContact O-N 3.37Å; D580-L585 PolarHBondContact N-O 3.03Å
581	H	88.1	Confident	88.8	Confident	85 Å²	85	47.6 Å²	47.6	39%	0.394	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.7	176.2	69.6	163.9	0	0	0	115.3	A541 Y579	A541-H581 HydrophobicContact CB-CB 4.5Å; Y579-H581 HydrophobicContact CE1-CB 4.49Å
582	V	87.3	Confident	88.7	Confident	83 Å²	83	48.7 Å²	48.7	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-43.2	176.2	-175	0	0	0	0	111.5	F545 D580	F545-V582 WeakPolarHBondContact CE2-O 3.32Å; D580-V582 PolarHBondContact O-N 3.1Å; D580-V582 WeakPolarHBondContact OD1-CB 3.41Å; D580-V582 PolarHBondContact OD1-N 3.36Å
583	T	87.1	Confident	88.9	Confident	12 Å²	12	51.6 Å²	51.6	7%	0.074	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-11.6	-176.7	63.9	0	0	0	0	114.6	A552 P553 D580 L585 Y612	A552-T583 WeakPolarHBondContact CA-O 3.33Å; P553-T583 WeakPolarHBondContact CD-O 3.41Å; P553-T583 HydrophobicContact CG-CG2 4.39Å; D580-T583 WeakPolarHBondContact OD2-CB 3.48Å; D580-T583 VanDerWaalsContact OD2-CG2 3.27Å; D580-T583 WeakPolarHBondContact OD2-CG2 3.47Å; D580-T583 PolarHBondContact OD2-N 3.03Å; D580-T583 PolarHBondContact OD2-OG1 3.06Å; T583-L585 PolarHBondContact O-N 3.23Å; T583-L585 WeakPolarHBondContact OG1-CB 3.36Å; T583-L585 WeakPolarHBondContact OG1-CG 3.44Å; T583-L585 PolarHBondContact OG1-N 2.9Å; T583-Y612 HydrophobicContact CG2-CE2 3.86Å
584	G	88.7	Confident	89.3	Confident	8 Å²	8	46.1 Å²	46.1	8%	0.082	25%	0.245	C	C	.	.			trans	72.9	6.8	-174.4	0	0	0	0	0	114.3	D580	D580-G584 VanDerWaalsContact O-CA 3.31Å; D580-G584 WeakPolarHBondContact O-CA 3.48Å; D580-G584 PolarHBondContact O-N 3.37Å
585	L	91.7	Very high	89.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.			trans	-84.7	156.3	-179.2	-59.9	176.5	0	0	0	112	A552 P553 D580 T583 Y594 N596 L603 Y612	A552-L585 HydrophobicContact CB-CD2 4.43Å; P553-L585 HydrophobicContact CB-CD1 4.31Å; P553-L585 HydrophobicContact CG-CD1 4.02Å; P553-L585 HydrophobicContact CG-CG 4.44Å; D580-L585 PolarHBondContact N-O 3.03Å; T583-L585 PolarHBondContact O-N 3.23Å; T583-L585 WeakPolarHBondContact OG1-CB 3.36Å; T583-L585 WeakPolarHBondContact OG1-CG 3.44Å; T583-L585 PolarHBondContact OG1-N 2.9Å; L585-Y594 HydrophobicContact CB-CD1 4.31Å; L585-Y594 HydrophobicContact CD1-CD1 4.28Å; L585-Y594 HydrophobicContact CD1-CG 4.39Å; L585-N596 HydrophobicContact CD2-CB 3.58Å; L585-L603 HydrophobicContact CD1-CD1 4.29Å; L585-L603 HydrophobicContact CD2-CD1 3.87Å; L585-Y612 HydrophobicContact CD1-CD1 3.79Å; L585-Y612 HydrophobicContact CD1-CD2 4.09Å; L585-Y612 HydrophobicContact CD1-CE1 3.75Å; L585-Y612 HydrophobicContact CD1-CE2 4.06Å; L585-Y612 HydrophobicContact CD1-CG 3.96Å
586	Y	94	Very high	90.1	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.3	174.9	-76.6	-87.3	0	0	0	110.1	K542 D572 S575 Y578 Y579 Y595 N597	K542-Y586 PolarHBondContact NZ-OH 3.34Å; D572-Y586 HydrophobicContact CB-CE1 4.22Å; D572-Y586 VanDerWaalsContact OD2-CE1 3.26Å; D572-Y586 WeakPolarHBondContact OD2-CE1 3.22Å; S575-Y586 WeakPolarHBondContact OG-CD1 3.23Å; S575-Y586 WeakPolarHBondContact OG-CE1 3.21Å; Y578-Y586 CarbonylContact O-C 3.49Å; Y579-Y586 HydrophobicContact CD2-CD1 4.12Å; Y579-Y586 HydrophobicContact CD2-CD2 4.2Å; Y579-Y586 AromaticContact CD2-CE1 3.77Å; Y579-Y586 HydrophobicContact CD2-CE1 3.77Å; Y579-Y586 AromaticContact CD2-CE2 3.87Å; Y579-Y586 HydrophobicContact CD2-CE2 3.87Å; Y579-Y586 HydrophobicContact CD2-CG 4.34Å; Y579-Y586 AromaticContact CD2-CZ 3.68Å; Y579-Y586 HydrophobicContact CE2-CE2 4.14Å; Y579-Y586 HydrophobicContact CG-CE1 4.21Å; Y586-Y595 PolarHBondContact N-O 3.23Å; Y586-Y595 PolarHBondContact O-N 3.44Å; Y586-N597 HydrophobicContact CD2-CB 4.34Å; Y586-N597 HydrophobicContact CE2-CB 4.24Å; Y586-N597 WeakPolarHBondContact CE2-ND2 3.17Å
587	Y	93.8	Very high	90.1	Very high	24 Å²	24	44.1 Å²	44.1	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.7	-179.7	176.3	-105.2	0	0	0	112.1	V566 Y569 Y578 A589 Q592 Y594	V566-Y587 HydrophobicContact CG1-CD1 3.97Å; V566-Y587 HydrophobicContact CG1-CE1 3.62Å; V566-Y587 HydrophobicContact CG2-CE1 4.27Å; Y569-Y587 HydrophobicContact CD2-CD1 4.11Å; Y569-Y587 HydrophobicContact CD2-CG 4.12Å; Y569-Y587 HydrophobicContact CE2-CD1 4.35Å; Y569-Y587 HydrophobicContact CE2-CG 4.03Å; Y578-Y587 PolarHBondContact N-O 3.09Å; Y578-Y587 PolarHBondContact O-N 3.02Å; Y587-A589 HydrophobicContact CE1-CB 4.31Å; Y587-Q592 HydrophobicContact CE2-CB 4.38Å; Y587-Y594 AromaticContact CD2-CD1 3.95Å; Y587-Y594 HydrophobicContact CD2-CD1 3.95Å; Y587-Y594 HydrophobicContact CD2-CD2 4.16Å; Y587-Y594 AromaticContact CD2-CE1 3.55Å; Y587-Y594 HydrophobicContact CD2-CE1 3.55Å; Y587-Y594 AromaticContact CD2-CE2 3.77Å; Y587-Y594 HydrophobicContact CD2-CE2 3.77Å; Y587-Y594 HydrophobicContact CD2-CG 4.22Å; Y587-Y594 AromaticContact CD2-CZ 3.44Å; Y587-Y594 VanDerWaalsContact CD2-CZ 3.44Å; Y587-Y594 HydrophobicContact CE2-CE1 4.38Å; Y587-Y594 AromaticContact CE2-CE2 3.99Å; Y587-Y594 HydrophobicContact CE2-CE2 3.99Å; Y587-Y594 AromaticContact CE2-CZ 3.83Å; Y587-Y594 HydrophobicContact CG-CD1 4.49Å; Y587-Y594 HydrophobicContact CG-CE1 4.15Å
588	D	90.2	Very high	89.8	Confident	21 Å²	21	47.2 Å²	47.2	11%	0.112	24%	0.238	C	C	.	.			trans	-93.9	117.6	170.1	174.2	29.2	0	0	0	111.2	Y577 H590 S591 Q592 Y593	Y577-D588 HydrophobicContact CD1-CB 3.69Å; Y577-D588 HydrophobicContact CE1-CB 3.68Å; D588-H590 PolarHBondContact O-N 2.91Å; D588-H590 IonicContact OD1-CG 3.19Å; D588-H590 PolarHBondContact OD1-N 3.25Å; D588-H590 IonicContact OD1-ND1 3.96Å; D588-H590 PolarHBondContact OD1-ND1 2.98Å; D588-H590 VanDerWaalsContact OD1-ND1 3.11Å; D588-S591 WeakPolarHBondContact OD2-CB 3.43Å; D588-S591 PolarHBondContact OD2-N 3.38Å; D588-S591 PolarHBondContact OD2-OG 3.16Å; D588-Q592 VanDerWaalsContact O-CA 3.31Å; D588-Q592 WeakPolarHBondContact O-CA 3.27Å; D588-Q592 PolarHBondContact O-N 3.4Å; D588-Y593 PolarHBondContact N-O 2.8Å
589	A	87.3	Confident	89.3	Confident	51 Å²	51	45.9 Å²	45.9	42%	0.421	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.4	177.6	0	0	0	0	0	114.1	Y578 Y587	Y578-A589 HydrophobicContact CD2-CB 4.25Å; Y578-A589 HydrophobicContact CE2-CB 3.93Å; Y587-A589 HydrophobicContact CE1-CB 4.31Å
590	H	84.7	Confident	88.9	Confident	180 Å²	180	46.5 Å²	46.5	83%	0.833	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-47.7	179.4	-58.1	88.1	0	0	0	112.5	D588	D588-H590 PolarHBondContact O-N 2.91Å; D588-H590 IonicContact OD1-CG 3.19Å; D588-H590 PolarHBondContact OD1-N 3.25Å; D588-H590 IonicContact OD1-ND1 3.96Å; D588-H590 PolarHBondContact OD1-ND1 2.98Å; D588-H590 VanDerWaalsContact OD1-ND1 3.11Å
591	S	87.1	Confident	88.7	Confident	48 Å²	48	47 Å²	47	34%	0.336	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.4	-177.5	65.1	0	0	0	0	114.8	D588 Y593	D588-S591 WeakPolarHBondContact OD2-CB 3.43Å; D588-S591 PolarHBondContact OD2-N 3.38Å; D588-S591 PolarHBondContact OD2-OG 3.16Å; S591-Y593 PolarHBondContact O-N 2.68Å; S591-Y593 WeakPolarHBondContact OG-CD2 3.45Å; S591-Y593 PolarHBondContact OG-N 2.95Å
592	Q	88.6	Confident	88.8	Confident	137 Å²	137	44.3 Å²	44.3	64%	0.64	24%	0.238	S	C	*	.			trans	61	15.3	-172.9	-52.1	-176.8	-5.6	0	0	114.1	Y587 D588	Y587-Q592 HydrophobicContact CE2-CB 4.38Å; D588-Q592 VanDerWaalsContact O-CA 3.31Å; D588-Q592 WeakPolarHBondContact O-CA 3.27Å; D588-Q592 PolarHBondContact O-N 3.4Å
593	Y	92.5	Very high	89	Confident	65 Å²	65	40.4 Å²	40.4	26%	0.255	21%	0.214	S	C	.	.			trans	-88.9	154.9	172.6	-65.3	-55.5	0	0	0	112	D588 S591 L603 A615 Q621	D588-Y593 PolarHBondContact N-O 2.8Å; S591-Y593 PolarHBondContact O-N 2.68Å; S591-Y593 WeakPolarHBondContact OG-CD2 3.45Å; S591-Y593 PolarHBondContact OG-N 2.95Å; Y593-L603 CarbonylContact C-O 3.45Å; Y593-L603 WeakPolarHBondContact CA-O 3.47Å; Y593-L603 WeakPolarHBondContact CD1-O 3.32Å; Y593-A615 HydrophobicContact CD1-CB 4.05Å; Y593-A615 HydrophobicContact CE1-CB 3.77Å; Y593-Q621 PolarHBondContact OH-NE2 2.88Å; Y593-Q621 VanDerWaalsContact OH-NE2 3.12Å
594	Y	93	Very high	89.3	Confident	11 Å²	11	44.1 Å²	44.1	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.8	176.6	-62.5	-102	0	0	0	108.4	P564 Y569 L585 Y587 L603 W605 Y612	P564-Y594 HydrophobicContact CB-CE1 4.33Å; P564-Y594 WeakPolarHBondContact CB-OH 3.13Å; P564-Y594 WeakPolarHBondContact CG-OH 3.47Å; Y569-Y594 AromaticContact CE2-CE1 3.94Å; Y569-Y594 HydrophobicContact CE2-CE1 3.94Å; L585-Y594 HydrophobicContact CB-CD1 4.31Å; L585-Y594 HydrophobicContact CD1-CD1 4.28Å; L585-Y594 HydrophobicContact CD1-CG 4.39Å; Y587-Y594 AromaticContact CD2-CD1 3.95Å; Y587-Y594 HydrophobicContact CD2-CD1 3.95Å; Y587-Y594 HydrophobicContact CD2-CD2 4.16Å; Y587-Y594 AromaticContact CD2-CE1 3.55Å; Y587-Y594 HydrophobicContact CD2-CE1 3.55Å; Y587-Y594 AromaticContact CD2-CE2 3.77Å; Y587-Y594 HydrophobicContact CD2-CE2 3.77Å; Y587-Y594 HydrophobicContact CD2-CG 4.22Å; Y587-Y594 AromaticContact CD2-CZ 3.44Å; Y587-Y594 VanDerWaalsContact CD2-CZ 3.44Å; Y587-Y594 HydrophobicContact CE2-CE1 4.38Å; Y587-Y594 AromaticContact CE2-CE2 3.99Å; Y587-Y594 HydrophobicContact CE2-CE2 3.99Å; Y587-Y594 AromaticContact CE2-CZ 3.83Å; Y587-Y594 HydrophobicContact CG-CD1 4.49Å; Y587-Y594 HydrophobicContact CG-CE1 4.15Å; Y594-L603 PolarHBondContact N-O 2.78Å; Y594-L603 WeakPolarHBondContact O-CB 3.28Å; Y594-L603 PolarHBondContact O-N 3.48Å; Y594-W605 HydrophobicContact CE2-CB 4.14Å; Y594-Y612 HydrophobicContact CD1-CD1 4.48Å; Y594-Y612 AromaticContact CD1-CE1 3.68Å; Y594-Y612 HydrophobicContact CD1-CE1 3.68Å; Y594-Y612 HydrophobicContact CD2-CD1 4.1Å; Y594-Y612 AromaticContact CD2-CE1 3.82Å; Y594-Y612 HydrophobicContact CD2-CE1 3.82Å; Y594-Y612 AromaticContact CE1-CE1 3.87Å; Y594-Y612 HydrophobicContact CE1-CE1 3.87Å; Y594-Y612 HydrophobicContact CE2-CE1 4.03Å; Y594-Y612 HydrophobicContact CG-CD1 4.05Å; Y594-Y612 AromaticContact CG-CE1 3.67Å; Y594-Y612 HydrophobicContact CG-CE1 3.67Å
595	Y	91.9	Very high	89.5	Confident	3 Å²	3	45.8 Å²	45.8	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.6	178.8	179.8	-106.3	0	0	0	110.9	A515 L519 Y586 N597 Y602	A515-Y595 HydrophobicContact CB-CE2 3.59Å; L519-Y595 WeakPolarHBondContact CG-OH 3.4Å; Y586-Y595 PolarHBondContact N-O 3.23Å; Y586-Y595 PolarHBondContact O-N 3.44Å; Y595-N597 HydrophobicContact CE1-CB 4.34Å; Y595-Y602 HydrophobicContact CD2-CD1 4.02Å; Y595-Y602 AromaticContact CD2-CE1 3.81Å; Y595-Y602 HydrophobicContact CD2-CE1 3.81Å; Y595-Y602 HydrophobicContact CD2-CE2 4.35Å; Y595-Y602 HydrophobicContact CD2-CG 4.37Å; Y595-Y602 AromaticContact CD2-CZ 3.99Å; Y595-Y602 HydrophobicContact CG-CE1 4.25Å
596	N	90.4	Very high	89.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.4	172.9	-177.6	-21.5	0	0	0	110.3	A552 P553 L585 E598 T599 G600 A601 L603	A552-N596 PolarHBondContact O-ND2 3.43Å; P553-N596 PolarHBondContact O-ND2 2.92Å; L585-N596 HydrophobicContact CD2-CB 3.58Å; N596-E598 VanDerWaalsContact C-N 3.34Å; N596-E598 PolarHBondContact O-N 3.46Å; N596-E598 WeakPolarHBondContact OD1-CA 3.24Å; N596-E598 VanDerWaalsContact OD1-CB 3.3Å; N596-E598 WeakPolarHBondContact OD1-CB 3.13Å; N596-E598 PolarHBondContact OD1-N 2.88Å; N596-T599 WeakPolarHBondContact CB-OG1 3.44Å; N596-T599 PolarHBondContact O-N 2.61Å; N596-T599 PolarHBondContact OD1-N 2.82Å; N596-G600 WeakPolarHBondContact O-CA 3.27Å; N596-G600 PolarHBondContact O-N 3.12Å; N596-A601 PolarHBondContact N-O 2.75Å; N596-L603 HydrophobicContact CB-CD1 3.8Å
597	N	87.3	Confident	89	Confident	54 Å²	54	52.5 Å²	52.5	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-17	-177.2	-144.2	-32	0	0	0	113.2	Y586 Y595	Y586-N597 HydrophobicContact CD2-CB 4.34Å; Y586-N597 HydrophobicContact CE2-CB 4.24Å; Y586-N597 WeakPolarHBondContact CE2-ND2 3.17Å; Y595-N597 HydrophobicContact CE1-CB 4.34Å
598	E	84.1	Confident	88.7	Confident	103 Å²	103	60.9 Å²	60.9	48%	0.481	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-38.3	171.6	-61	-179	-155.8	0	0	112.5	A552 K554 N596	A552-E598 HydrophobicContact CB-CG 4.3Å; A552-E598 WeakPolarHBondContact CB-OE1 3.28Å; A552-E598 PolarHBondContact N-OE1 3.32Å; K554-E598 WeakPolarHBondContact CE-OE2 3.39Å; K554-E598 IonicContact NZ-OE2 3.89Å; K554-E598 PolarHBondContact NZ-OE2 2.74Å; N596-E598 VanDerWaalsContact C-N 3.34Å; N596-E598 PolarHBondContact O-N 3.46Å; N596-E598 WeakPolarHBondContact OD1-CA 3.24Å; N596-E598 VanDerWaalsContact OD1-CB 3.3Å; N596-E598 WeakPolarHBondContact OD1-CB 3.13Å; N596-E598 PolarHBondContact OD1-N 2.88Å
599	T	82.5	Confident	88.5	Confident	59 Å²	59	67.8 Å²	67.8	36%	0.362	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-15	-174.9	62	0	0	0	0	113.5	K554 N596 A601	K554-T599 HydrophobicContact CB-CG2 3.97Å; K554-T599 HydrophobicContact CD-CG2 4Å; K554-T599 HydrophobicContact CG-CG2 3.88Å; N596-T599 WeakPolarHBondContact CB-OG1 3.44Å; N596-T599 PolarHBondContact O-N 2.61Å; N596-T599 PolarHBondContact OD1-N 2.82Å; T599-A601 PolarHBondContact O-N 3.29Å; T599-A601 PolarHBondContact OG1-N 3.36Å
600	G	85.5	Confident	88.6	Confident	18 Å²	18	67.3 Å²	67.3	19%	0.186	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	13.8	-175.1	0	0	0	0	0	114.2	A515 N596	A515-G600 VanDerWaalsContact CB-O 3.24Å; A515-G600 WeakPolarHBondContact CB-O 3.39Å; N596-G600 WeakPolarHBondContact O-CA 3.27Å; N596-G600 PolarHBondContact O-N 3.12Å
601	A	87	Confident	88.9	Confident	16 Å²	16	59.7 Å²	59.7	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.7	-171.4	0	0	0	0	0	113.1	N596 T599 L614	N596-A601 PolarHBondContact N-O 2.75Å; T599-A601 PolarHBondContact O-N 3.29Å; T599-A601 PolarHBondContact OG1-N 3.36Å; A601-L614 HydrophobicContact CB-CD2 3.77Å
602	Y	90.6	Very high	89.1	Confident	30 Å²	30	57.5 Å²	57.5	12%	0.118	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	140.2	168.2	-67.4	-79.3	0	0	0	111.3	A515 Y577 Y595 A615	A515-Y602 HydrophobicContact CB-CE2 4.12Å; Y577-Y602 PolarHBondContact OH-OH 2.82Å; Y595-Y602 HydrophobicContact CD2-CD1 4.02Å; Y595-Y602 AromaticContact CD2-CE1 3.81Å; Y595-Y602 HydrophobicContact CD2-CE1 3.81Å; Y595-Y602 HydrophobicContact CD2-CE2 4.35Å; Y595-Y602 HydrophobicContact CD2-CG 4.37Å; Y595-Y602 AromaticContact CD2-CZ 3.99Å; Y595-Y602 HydrophobicContact CG-CE1 4.25Å; Y602-A615 WeakPolarHBondContact O-CB 3.35Å; Y602-A615 PolarHBondContact O-N 2.98Å
603	L	91.6	Very high	89.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.2	179.7	-59.8	149.8	0	0	0	109.3	P553 L585 Y593 Y594 N596 V613 L614	P553-L603 WeakPolarHBondContact O-CD1 3.21Å; L585-L603 HydrophobicContact CD1-CD1 4.29Å; L585-L603 HydrophobicContact CD2-CD1 3.87Å; Y593-L603 CarbonylContact C-O 3.45Å; Y593-L603 WeakPolarHBondContact CA-O 3.47Å; Y593-L603 WeakPolarHBondContact CD1-O 3.32Å; Y594-L603 PolarHBondContact N-O 2.78Å; Y594-L603 WeakPolarHBondContact O-CB 3.28Å; Y594-L603 PolarHBondContact O-N 3.48Å; N596-L603 HydrophobicContact CB-CD1 3.8Å; L603-V613 CarbonylContact C-O 3.58Å; L603-V613 VanDerWaalsContact CA-O 3.22Å; L603-V613 WeakPolarHBondContact CA-O 3.26Å; L603-L614 HydrophobicContact CD2-CD2 3.83Å; L603-L614 HydrophobicContact CD2-CG 4.21Å
604	Y	93.1	Very high	88.9	Confident	91 Å²	91	52.4 Å²	52.4	36%	0.357	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	159.8	165.6	74.3	-84.7	0	0	0	110.6	D606 Y612 V613	Y604-D606 HydrophobicContact CE2-CB 3.97Å; Y604-Y612 CarbonylContact O-C 3.57Å; Y604-Y612 WeakPolarHBondContact O-CA 3.33Å; Y604-V613 HydrophobicContact CD1-CB 4.18Å; Y604-V613 VanDerWaalsContact CD1-O 3.3Å; Y604-V613 WeakPolarHBondContact CD1-O 3.3Å; Y604-V613 HydrophobicContact CE1-CB 3.64Å; Y604-V613 HydrophobicContact CE1-CG1 3.68Å; Y604-V613 HydrophobicContact CE2-CB 4.39Å; Y604-V613 PolarHBondContact N-O 2.64Å; Y604-V613 PolarHBondContact O-N 2.81Å
605	W	91.8	Very high	88.4	Confident	42 Å²	42	53 Å²	53	16%	0.159	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.6	176	177.2	-108.5	0	0	0	111.2	D562 T563 P564 Y594 Q607 S610 Y612	D562-W605 VanDerWaalsContact O-CH2 3.32Å; D562-W605 WeakPolarHBondContact O-CH2 3.17Å; T563-W605 HydrophobicContact CG2-CZ2 4.29Å; P564-W605 VanDerWaalsContact CD-CD2 3.47Å; P564-W605 HydrophobicContact CG-CB 4.31Å; P564-W605 HydrophobicContact CG-CD2 3.72Å; P564-W605 HydrophobicContact CG-CE3 4.17Å; P564-W605 HydrophobicContact CG-CG 3.75Å; Y594-W605 HydrophobicContact CE2-CB 4.14Å; W605-Q607 PolarHBondContact O-N 3.44Å; W605-S610 WeakPolarHBondContact CH2-O 3.45Å; W605-Y612 HydrophobicContact CE3-CD1 4.05Å; W605-Y612 HydrophobicContact CE3-CD2 4.17Å; W605-Y612 AromaticContact CE3-CE1 3.85Å; W605-Y612 HydrophobicContact CE3-CE1 3.85Å; W605-Y612 AromaticContact CE3-CE2 3.98Å; W605-Y612 HydrophobicContact CE3-CE2 3.98Å; W605-Y612 HydrophobicContact CE3-CG 4.2Å; W605-Y612 AromaticContact CE3-CZ 3.82Å; W605-Y612 HydrophobicContact CZ3-CD2 4.11Å; W605-Y612 AromaticContact CZ3-CE2 3.84Å; W605-Y612 HydrophobicContact CZ3-CE2 3.84Å
606	D	88.2	Confident	87.4	Confident	26 Å²	26	56.3 Å²	56.3	14%	0.139	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	96.5	171.3	-175.9	-4.6	0	0	0	110.3	Y604 K608 R609 S610 T611 V613	Y604-D606 HydrophobicContact CE2-CB 3.97Å; D606-K608 PolarHBondContact O-N 3.03Å; D606-K608 VanDerWaalsContact O-N 3.1Å; D606-K608 WeakPolarHBondContact OD1-CB 3.47Å; D606-K608 PolarHBondContact OD1-N 2.96Å; D606-R609 HydrophobicContact CB-CB 4.22Å; D606-R609 PolarHBondContact O-N 2.91Å; D606-R609 WeakPolarHBondContact OD2-CD 3.29Å; D606-R609 WeakPolarHBondContact OD2-CG 3.37Å; D606-R609 IonicContact OD2-NE 3.88Å; D606-R609 PolarHBondContact OD2-NE 2.83Å; D606-S610 PolarHBondContact O-N 3.47Å; D606-T611 PolarHBondContact N-O 2.76Å; D606-V613 HydrophobicContact CB-CG2 3.86Å
607	Q	88.6	Confident	86	Confident	122 Å²	122	57.7 Å²	57.7	57%	0.57	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.2	176.4	-174.1	63.6	18.3	0	0	113.8	W605	W605-Q607 PolarHBondContact O-N 3.44Å
608	K	86.6	Confident	84.4	Confident	200 Å²	200	58.7 Å²	58.7	87%	0.87	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-24.6	177.6	-63.2	179.3	178.1	176.2	0	112.9	D606	D606-K608 PolarHBondContact O-N 3.03Å; D606-K608 VanDerWaalsContact O-N 3.1Å; D606-K608 WeakPolarHBondContact OD1-CB 3.47Å; D606-K608 PolarHBondContact OD1-N 2.96Å
609	R	85.4	Confident	82.6	Confident	167 Å²	167	56.8 Å²	56.8	63%	0.63	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-15.8	179.2	-68.3	179.1	-172.2	-96.9	-0.9	113.3	D606 T611	D606-R609 HydrophobicContact CB-CB 4.22Å; D606-R609 PolarHBondContact O-N 2.91Å; D606-R609 WeakPolarHBondContact OD2-CD 3.29Å; D606-R609 WeakPolarHBondContact OD2-CG 3.37Å; D606-R609 IonicContact OD2-NE 3.88Å; D606-R609 PolarHBondContact OD2-NE 2.83Å; R609-T611 VanDerWaalsContact C-N 3.32Å; R609-T611 HydrophobicContact CB-CG2 3.77Å
610	S	89.9	Confident	81.2	Confident	41 Å²	41	56.7 Å²	56.7	29%	0.287	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	45.4	-170.7	-47.4	0	0	0	0	111.5	K560 Y561 W605 D606	K560-S610 CarbonylContact C-O 3.55Å; K560-S610 VanDerWaalsContact CA-O 3.31Å; K560-S610 WeakPolarHBondContact CA-O 3.49Å; Y561-S610 PolarHBondContact N-O 3.18Å; W605-S610 WeakPolarHBondContact CH2-O 3.45Å; D606-S610 PolarHBondContact O-N 3.47Å
611	T	91.6	Very high	79.7	Confident	19 Å²	19	58.7 Å²	58.7	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159.5	-177.9	-158	0	0	0	0	112.9	K559 D606 R609 V613	K559-T611 WeakPolarHBondContact O-CB 3.47Å; K559-T611 PolarHBondContact O-OG1 3.25Å; D606-T611 PolarHBondContact N-O 2.76Å; R609-T611 VanDerWaalsContact C-N 3.32Å; R609-T611 HydrophobicContact CB-CG2 3.77Å; T611-V613 HydrophobicContact CG2-CG2 3.86Å
612	Y	90.7	Very high	78.2	Confident	3 Å²	3	60.6 Å²	60.6	1%	0.012	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.8	170.1	-62.5	-81.4	0	0	0	109.5	P553 G555 Y561 T583 L585 Y594 Y604 W605	P553-Y612 HydrophobicContact CB-CD2 3.77Å; P553-Y612 HydrophobicContact CB-CG 4.2Å; P553-Y612 HydrophobicContact CG-CD2 3.79Å; P553-Y612 HydrophobicContact CG-CE2 4.17Å; G555-Y612 WeakPolarHBondContact CA-O 3.48Å; Y561-Y612 AromaticContact CD2-CD2 3.83Å; Y561-Y612 HydrophobicContact CD2-CD2 3.83Å; Y561-Y612 HydrophobicContact CD2-CE2 4.2Å; Y561-Y612 HydrophobicContact CE2-CD2 4.11Å; Y561-Y612 HydrophobicContact CG-CD2 4.27Å; Y561-Y612 HydrophobicContact CG-CE2 4.18Å; T583-Y612 HydrophobicContact CG2-CE2 3.86Å; L585-Y612 HydrophobicContact CD1-CD1 3.79Å; L585-Y612 HydrophobicContact CD1-CD2 4.09Å; L585-Y612 HydrophobicContact CD1-CE1 3.75Å; L585-Y612 HydrophobicContact CD1-CE2 4.06Å; L585-Y612 HydrophobicContact CD1-CG 3.96Å; Y594-Y612 HydrophobicContact CD1-CD1 4.48Å; Y594-Y612 AromaticContact CD1-CE1 3.68Å; Y594-Y612 HydrophobicContact CD1-CE1 3.68Å; Y594-Y612 HydrophobicContact CD2-CD1 4.1Å; Y594-Y612 AromaticContact CD2-CE1 3.82Å; Y594-Y612 HydrophobicContact CD2-CE1 3.82Å; Y594-Y612 AromaticContact CE1-CE1 3.87Å; Y594-Y612 HydrophobicContact CE1-CE1 3.87Å; Y594-Y612 HydrophobicContact CE2-CE1 4.03Å; Y594-Y612 HydrophobicContact CG-CD1 4.05Å; Y594-Y612 AromaticContact CG-CE1 3.67Å; Y594-Y612 HydrophobicContact CG-CE1 3.67Å; Y604-Y612 CarbonylContact O-C 3.57Å; Y604-Y612 WeakPolarHBondContact O-CA 3.33Å; W605-Y612 HydrophobicContact CE3-CD1 4.05Å; W605-Y612 HydrophobicContact CE3-CD2 4.17Å; W605-Y612 AromaticContact CE3-CE1 3.85Å; W605-Y612 HydrophobicContact CE3-CE1 3.85Å; W605-Y612 AromaticContact CE3-CE2 3.98Å; W605-Y612 HydrophobicContact CE3-CE2 3.98Å; W605-Y612 HydrophobicContact CE3-CG 4.2Å; W605-Y612 AromaticContact CE3-CZ 3.82Å; W605-Y612 HydrophobicContact CZ3-CD2 4.11Å; W605-Y612 AromaticContact CZ3-CE2 3.84Å; W605-Y612 HydrophobicContact CZ3-CE2 3.84Å
613	V	89.6	Confident	76.5	Confident	34 Å²	34	61.6 Å²	61.6	21%	0.206	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.7	-176.7	-178.5	0	0	0	0	109.2	L603 Y604 D606 T611 A615	L603-V613 CarbonylContact C-O 3.58Å; L603-V613 VanDerWaalsContact CA-O 3.22Å; L603-V613 WeakPolarHBondContact CA-O 3.26Å; Y604-V613 HydrophobicContact CD1-CB 4.18Å; Y604-V613 VanDerWaalsContact CD1-O 3.3Å; Y604-V613 WeakPolarHBondContact CD1-O 3.3Å; Y604-V613 HydrophobicContact CE1-CB 3.64Å; Y604-V613 HydrophobicContact CE1-CG1 3.68Å; Y604-V613 HydrophobicContact CE2-CB 4.39Å; Y604-V613 PolarHBondContact N-O 2.64Å; Y604-V613 PolarHBondContact O-N 2.81Å; D606-V613 HydrophobicContact CB-CG2 3.86Å; T611-V613 HydrophobicContact CG2-CG2 3.86Å; V613-A615 PolarHBondContact O-N 3.34Å
614	L	88.3	Confident	74.8	Confident	61 Å²	61	66.1 Å²	66.1	32%	0.319	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	130.3	180	-71.1	167.2	0	0	0	111.9	A601 L603 T616	A601-L614 HydrophobicContact CB-CD2 3.77Å; L603-L614 HydrophobicContact CD2-CD2 3.83Å; L603-L614 HydrophobicContact CD2-CG 4.21Å; L614-T616 PolarHBondContact O-N 3.46Å
615	A	81.1	Confident	73.7	Confident	24 Å²	24	69.2 Å²	69.2	20%	0.198	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-77.9	116.7	175.8	0	0	0	0	0	110.3	Y593 Y602 V613	Y593-A615 HydrophobicContact CD1-CB 4.05Å; Y593-A615 HydrophobicContact CE1-CB 3.77Å; Y602-A615 WeakPolarHBondContact O-CB 3.35Å; Y602-A615 PolarHBondContact O-N 2.98Å; V613-A615 PolarHBondContact O-N 3.34Å
616	T	72.2	Confident	72.7	Confident	72 Å²	72	74.3 Å²	74.3	44%	0.442	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-72.3	149.7	172.6	57.6	0	0	0	0	110.5	L614 T620 Q621	L614-T616 PolarHBondContact O-N 3.46Å; T616-T620 WeakPolarHBondContact CB-OG1 3.44Å; T616-Q621 PolarHBondContact O-NE2 3.34Å
617	P	61.2	Low	71.8	Confident	29 Å²	29	77.9 Å²	77.9	19%	0.188	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-61.5	147.8	-173.6	22.6	-32.9	0	0	0	112.6	A511 S619 T620 Q621	A511-P617 HydrophobicContact CB-CB 3.84Å; P617-S619 PolarHBondContact O-N 3.31Å; P617-S619 VanDerWaalsContact O-N 3.1Å; P617-T620 WeakPolarHBondContact CD-OG1 3.39Å; P617-T620 HydrophobicContact CG-CG2 4.01Å; P617-T620 WeakPolarHBondContact O-CA 3.44Å; P617-T620 PolarHBondContact O-N 2.96Å; P617-T620 PolarHBondContact O-OG1 2.67Å; P617-Q621 PolarHBondContact O-N 3.22Å; P617-Q621 VanDerWaalsContact O-N 3.07Å
618	A	53.7	Low	71	Confident	76 Å²	76	77.3 Å²	77.3	63%	0.628	42%	0.424	S	S	*	.	H	α-helix	trans	-55.4	-34.2	-171.4	0	0	0	0	0	113.7	Q621 A622	A618-Q621 PolarHBondContact O-N 3.09Å; A618-A622 WeakPolarHBondContact O-CB 3.41Å; A618-A622 PolarHBondContact O-N 3.27Å
619	S	45.6	Very low	70.3	Confident	63 Å²	63	69.5 Å²	69.5	44%	0.441	40%	0.397	S	S	.	.	H	α-helix	trans	-58.7	-43.5	172	42.1	0	0	0	0	112.6	E510 P617 A623	E510-S619 PolarHBondContact OE2-OG 3.19Å; P617-S619 PolarHBondContact O-N 3.31Å; P617-S619 VanDerWaalsContact O-N 3.1Å; S619-A623 WeakPolarHBondContact O-CB 3.46Å; S619-A623 PolarHBondContact O-N 3.2Å
620	T	53.4	Low	69.6	Low	56 Å²	56	64.7 Å²	64.7	34%	0.344	38%	0.384	S	S	.	.	H	α-helix	trans	-72	-32.2	173.4	62.9	0	0	0	0	113.2	T616 P617 L624	T616-T620 WeakPolarHBondContact CB-OG1 3.44Å; P617-T620 WeakPolarHBondContact CD-OG1 3.39Å; P617-T620 HydrophobicContact CG-CG2 4.01Å; P617-T620 WeakPolarHBondContact O-CA 3.44Å; P617-T620 PolarHBondContact O-N 2.96Å; P617-T620 PolarHBondContact O-OG1 2.67Å; T620-L624 VanDerWaalsContact O-CB 3.28Å; T620-L624 WeakPolarHBondContact O-CB 3.2Å; T620-L624 VanDerWaalsContact O-CG 3.24Å; T620-L624 WeakPolarHBondContact O-CG 3.26Å; T620-L624 PolarHBondContact O-N 3.42Å
621	Q	54.4	Low	68.6	Low	60 Å²	60	65.3 Å²	65.3	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-69	-37.1	174.5	-64.1	-168.8	28.9	0	0	112.2	Y593 T616 P617 A618 K625	Y593-Q621 PolarHBondContact OH-NE2 2.88Å; Y593-Q621 VanDerWaalsContact OH-NE2 3.12Å; T616-Q621 PolarHBondContact O-NE2 3.34Å; P617-Q621 PolarHBondContact O-N 3.22Å; P617-Q621 VanDerWaalsContact O-N 3.07Å; A618-Q621 PolarHBondContact O-N 3.09Å; Q621-K625 WeakPolarHBondContact O-CB 3.36Å; Q621-K625 WeakPolarHBondContact O-CG 3.39Å; Q621-K625 PolarHBondContact O-N 3.21Å
622	A	53.7	Low	67.7	Low	57 Å²	57	71.1 Å²	71.1	47%	0.471	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-51.1	173.2	0	0	0	0	0	110.9	A618 L624 K625 E626	A618-A622 WeakPolarHBondContact O-CB 3.41Å; A618-A622 PolarHBondContact O-N 3.27Å; A622-L624 VanDerWaalsContact C-N 3.34Å; A622-L624 PolarHBondContact O-N 3.13Å; A622-K625 PolarHBondContact O-N 2.9Å; A622-K625 VanDerWaalsContact O-N 3.12Å; A622-E626 PolarHBondContact O-N 3.23Å
623	A	54.8	Low	66.8	Low	50 Å²	50	76.7 Å²	76.7	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-59.6	-40.8	177	0	0	0	0	0	112.7	S619 E626 V627	S619-A623 WeakPolarHBondContact O-CB 3.46Å; S619-A623 PolarHBondContact O-N 3.2Å; A623-E626 PolarHBondContact O-N 3Å; A623-V627 WeakPolarHBondContact O-CB 3.46Å; A623-V627 VanDerWaalsContact O-CG2 3.27Å; A623-V627 WeakPolarHBondContact O-CG2 3.37Å; A623-V627 PolarHBondContact O-N 3.44Å
624	L	57.4	Low	65.9	Low	96 Å²	96	80.9 Å²	80.9	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-67.2	-36.5	175	-75.8	168.3	0	0	0	112.4	T620 A622 L628	T620-L624 VanDerWaalsContact O-CB 3.28Å; T620-L624 WeakPolarHBondContact O-CB 3.2Å; T620-L624 VanDerWaalsContact O-CG 3.24Å; T620-L624 WeakPolarHBondContact O-CG 3.26Å; T620-L624 PolarHBondContact O-N 3.42Å; A622-L624 VanDerWaalsContact C-N 3.34Å; A622-L624 PolarHBondContact O-N 3.13Å; L624-L628 VanDerWaalsContact O-CB 3.28Å; L624-L628 WeakPolarHBondContact O-CB 3.46Å; L624-L628 WeakPolarHBondContact O-CD1 3.43Å; L624-L628 WeakPolarHBondContact O-CG 3.24Å; L624-L628 PolarHBondContact O-N 2.62Å
625	K	69.8	Low	64.9	Low	156 Å²	156	83.5 Å²	83.5	68%	0.678	47%	0.468	S	S	*	.	H	α-helix	trans	-66.1	-41.5	173.4	-84.4	-178.5	175.3	175.3	0	112.4	Q621 A622 A629	Q621-K625 WeakPolarHBondContact O-CB 3.36Å; Q621-K625 WeakPolarHBondContact O-CG 3.39Å; Q621-K625 PolarHBondContact O-N 3.21Å; A622-K625 PolarHBondContact O-N 2.9Å; A622-K625 VanDerWaalsContact O-N 3.12Å; K625-A629 VanDerWaalsContact O-CB 3.24Å; K625-A629 WeakPolarHBondContact O-CB 3.22Å; K625-A629 PolarHBondContact O-N 2.72Å
626	E	69.6	Low	64.3	Low	148 Å²	148	87.7 Å²	87.7	69%	0.692	48%	0.483	S	S	*	.	H	α-helix	trans	-64.3	-49.1	173.8	-72.6	-163.6	130.6	0	0	111.3	A622 A623 L628 A629 D630	A622-E626 PolarHBondContact O-N 3.23Å; A623-E626 PolarHBondContact O-N 3Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.87Å; E626-A629 PolarHBondContact O-N 2.69Å; E626-D630 WeakPolarHBondContact O-CB 3.27Å; E626-D630 PolarHBondContact O-N 2.85Å
627	V	70.3	Confident	64	Low	101 Å²	101	90.7 Å²	90.7	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-61.3	-38.3	179.7	169.5	0	0	0	0	112.4	A623 A631	A623-V627 WeakPolarHBondContact O-CB 3.46Å; A623-V627 VanDerWaalsContact O-CG2 3.27Å; A623-V627 WeakPolarHBondContact O-CG2 3.37Å; A623-V627 PolarHBondContact O-N 3.44Å; V627-A631 WeakPolarHBondContact O-CB 3.48Å; V627-A631 PolarHBondContact O-N 3.38Å
628	L	72.3	Confident	64	Low	110 Å²	110	91.8 Å²	91.8	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-69.7	-45.5	174.6	-72.5	168.9	0	0	0	112	L624 E626 D630 A631 E632	L624-L628 VanDerWaalsContact O-CB 3.28Å; L624-L628 WeakPolarHBondContact O-CB 3.46Å; L624-L628 WeakPolarHBondContact O-CD1 3.43Å; L624-L628 WeakPolarHBondContact O-CG 3.24Å; L624-L628 PolarHBondContact O-N 2.62Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.87Å; L628-D630 VanDerWaalsContact C-N 3.29Å; L628-D630 PolarHBondContact O-N 2.89Å; L628-A631 WeakPolarHBondContact O-CB 3.32Å; L628-A631 PolarHBondContact O-N 3.38Å; L628-A631 VanDerWaalsContact O-N 3.16Å; L628-E632 WeakPolarHBondContact O-CG 3.38Å; L628-E632 PolarHBondContact O-N 3Å
629	A	71.4	Confident	64.6	Low	37 Å²	37	93.9 Å²	93.9	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-34	177.6	0	0	0	0	0	112.5	K625 E626 K633	K625-A629 VanDerWaalsContact O-CB 3.24Å; K625-A629 WeakPolarHBondContact O-CB 3.22Å; K625-A629 PolarHBondContact O-N 2.72Å; E626-A629 PolarHBondContact O-N 2.69Å; A629-K633 WeakPolarHBondContact O-CB 3.29Å; A629-K633 WeakPolarHBondContact O-CD 3.32Å; A629-K633 VanDerWaalsContact O-CG 3.22Å; A629-K633 WeakPolarHBondContact O-CG 3.35Å; A629-K633 PolarHBondContact O-N 2.92Å; A629-K633 VanDerWaalsContact O-N 3.08Å
630	D	71.3	Confident	65.4	Low	65 Å²	65	96.2 Å²	96.2	35%	0.348	50%	0.501	S	S	.	.	H	α-helix	trans	-74.5	-31.2	174	-109	38.6	0	0	0	112.9	E626 L628 K633 K634	E626-D630 WeakPolarHBondContact O-CB 3.27Å; E626-D630 PolarHBondContact O-N 2.85Å; L628-D630 VanDerWaalsContact C-N 3.29Å; L628-D630 PolarHBondContact O-N 2.89Å; D630-K633 IonicContact OD1-NZ 3.57Å; D630-K634 VanDerWaalsContact O-CB 3.28Å; D630-K634 WeakPolarHBondContact O-CB 3.49Å; D630-K634 WeakPolarHBondContact O-CD 3.4Å; D630-K634 WeakPolarHBondContact O-CG 3.36Å; D630-K634 PolarHBondContact O-N 2.99Å; D630-K634 IonicContact OD2-NZ 2.83Å; D630-K634 PolarHBondContact OD2-NZ 2.91Å
631	A	68.2	Low	65.5	Low	55 Å²	55	96.1 Å²	96.1	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-47.1	170.9	0	0	0	0	0	111.3	V627 L628 K633 K634 E635	V627-A631 WeakPolarHBondContact O-CB 3.48Å; V627-A631 PolarHBondContact O-N 3.38Å; L628-A631 WeakPolarHBondContact O-CB 3.32Å; L628-A631 PolarHBondContact O-N 3.38Å; L628-A631 VanDerWaalsContact O-N 3.16Å; A631-K633 PolarHBondContact O-N 3.43Å; A631-K634 PolarHBondContact O-N 3.26Å; A631-E635 PolarHBondContact O-N 3.36Å
632	E	73.1	Confident	65.5	Low	141 Å²	141	101.6 Å²	101.6	66%	0.659	53%	0.529	S	S	*	.	H	α-helix	trans	-60.4	-45.7	177.2	-72	179.3	162.5	0	0	111.9	L628 E635 E636	L628-E632 WeakPolarHBondContact O-CG 3.38Å; L628-E632 PolarHBondContact O-N 3Å; E632-E635 PolarHBondContact O-N 3.5Å; E632-E636 PolarHBondContact O-N 3.3Å
633	K	70.7	Confident	65.6	Low	119 Å²	119	106.7 Å²	106.7	52%	0.517	54%	0.543	S	S	.	.	H	α-helix	trans	-59.5	-46.7	173.8	-72.7	167.7	-165.8	162.1	0	112.3	A629 D630 A631 E635 E636 E637	A629-K633 WeakPolarHBondContact O-CB 3.29Å; A629-K633 WeakPolarHBondContact O-CD 3.32Å; A629-K633 VanDerWaalsContact O-CG 3.22Å; A629-K633 WeakPolarHBondContact O-CG 3.35Å; A629-K633 PolarHBondContact O-N 2.92Å; A629-K633 VanDerWaalsContact O-N 3.08Å; D630-K633 IonicContact OD1-NZ 3.57Å; A631-K633 PolarHBondContact O-N 3.43Å; K633-E635 VanDerWaalsContact C-N 3.28Å; K633-E635 PolarHBondContact O-N 2.91Å; K633-E636 PolarHBondContact O-N 3.39Å; K633-E637 PolarHBondContact O-N 3.34Å
634	K	70.7	Confident	65.5	Low	122 Å²	122	113.2 Å²	113.2	53%	0.53	56%	0.562	S	S	.	*	H	α-helix	trans	-65.9	-30.5	179.9	-75.8	164.3	-179.8	137.3	0	112	D630 A631 A638	D630-K634 VanDerWaalsContact O-CB 3.28Å; D630-K634 WeakPolarHBondContact O-CB 3.49Å; D630-K634 WeakPolarHBondContact O-CD 3.4Å; D630-K634 WeakPolarHBondContact O-CG 3.36Å; D630-K634 PolarHBondContact O-N 2.99Å; D630-K634 IonicContact OD2-NZ 2.83Å; D630-K634 PolarHBondContact OD2-NZ 2.91Å; A631-K634 PolarHBondContact O-N 3.26Å; K634-A638 WeakPolarHBondContact O-CB 3.11Å; K634-A638 PolarHBondContact O-N 3.03Å
635	E	68.5	Low	65.1	Low	117 Å²	117	117.3 Å²	117.3	55%	0.547	58%	0.579	S	S	.	*	H	α-helix	trans	-74.2	-36.5	173.8	-145.4	-164.2	137.8	0	0	112.6	A631 E632 K633 K639	A631-E635 PolarHBondContact O-N 3.36Å; E632-E635 PolarHBondContact O-N 3.5Å; K633-E635 VanDerWaalsContact C-N 3.28Å; K633-E635 PolarHBondContact O-N 2.91Å; E635-K639 WeakPolarHBondContact O-CD 3.39Å; E635-K639 VanDerWaalsContact O-CG 3.27Å; E635-K639 WeakPolarHBondContact O-CG 3.45Å; E635-K639 PolarHBondContact O-N 3.16Å; E635-K639 WeakPolarHBondContact OE1-CE 3.21Å; E635-K639 IonicContact OE1-NZ 2.64Å; E635-K639 PolarHBondContact OE1-NZ 3.18Å
636	E	68.2	Low	63.8	Low	112 Å²	112	118.9 Å²	118.9	52%	0.523	59%	0.585	S	S	.	*	H	α-helix	trans	-63	-47.9	169.6	-93.2	-128.7	122	0	0	112.4	E632 K633 K639 K640	E632-E636 PolarHBondContact O-N 3.3Å; K633-E636 PolarHBondContact O-N 3.39Å; E636-K639 PolarHBondContact O-N 3.21Å; E636-K640 WeakPolarHBondContact O-CG 3.17Å; E636-K640 PolarHBondContact O-N 2.84Å; E636-K640 WeakPolarHBondContact OE1-CE 3.3Å; E636-K640 IonicContact OE1-NZ 2.74Å; E636-K640 PolarHBondContact OE1-NZ 2.96Å; E636-K640 IonicContact OE2-NZ 2.63Å; E636-K640 PolarHBondContact OE2-NZ 3.25Å
637	E	65.1	Low	62.7	Low	135 Å²	135	120 Å²	120	63%	0.631	59%	0.59	S	S	*	*	H	α-helix	trans	-65.4	-39.9	179.3	-72.4	-169.7	136.6	0	0	111.6	K633 K639 K640 A641	K633-E637 PolarHBondContact O-N 3.34Å; E637-K639 VanDerWaalsContact C-N 3.27Å; E637-K639 PolarHBondContact O-N 3.44Å; E637-K640 PolarHBondContact O-N 3.05Å; E637-A641 VanDerWaalsContact O-CB 3.29Å; E637-A641 WeakPolarHBondContact O-CB 3.37Å; E637-A641 PolarHBondContact O-N 3.49Å
638	A	62.4	Low	61.2	Low	52 Å²	52	124.8 Å²	124.8	43%	0.43	60%	0.603	S	S	.	*	H	α-helix	trans	-63.9	-29.7	175.2	0	0	0	0	0	113.3	K634 K642	K634-A638 WeakPolarHBondContact O-CB 3.11Å; K634-A638 PolarHBondContact O-N 3.03Å; A638-K642 PolarHBondContact O-N 3.18Å
639	K	65.7	Low	59.4	Low	120 Å²	120	128.8 Å²	128.8	52%	0.522	62%	0.619	S	S	.	*	H	α-helix	trans	-74.5	-49	172.3	-71.7	164.6	-171.4	166.6	0	110.9	E635 E636 E637 A641 K642	E635-K639 WeakPolarHBondContact O-CD 3.39Å; E635-K639 VanDerWaalsContact O-CG 3.27Å; E635-K639 WeakPolarHBondContact O-CG 3.45Å; E635-K639 PolarHBondContact O-N 3.16Å; E635-K639 WeakPolarHBondContact OE1-CE 3.21Å; E635-K639 IonicContact OE1-NZ 2.64Å; E635-K639 PolarHBondContact OE1-NZ 3.18Å; E636-K639 PolarHBondContact O-N 3.21Å; E637-K639 VanDerWaalsContact C-N 3.27Å; E637-K639 PolarHBondContact O-N 3.44Å; K639-A641 VanDerWaalsContact C-N 3.29Å; K639-A641 PolarHBondContact O-N 2.77Å; K639-K642 PolarHBondContact O-N 2.61Å
640	K	61.9	Low	57.8	Low	111 Å²	111	136.1 Å²	136.1	48%	0.483	65%	0.647	S	S	.	*	H	α-helix	trans	-65.1	-27.1	179.6	-71.4	166.4	-174.2	167.7	0	113.5	E636 E637	E636-K640 WeakPolarHBondContact O-CG 3.17Å; E636-K640 PolarHBondContact O-N 2.84Å; E636-K640 WeakPolarHBondContact OE1-CE 3.3Å; E636-K640 IonicContact OE1-NZ 2.74Å; E636-K640 PolarHBondContact OE1-NZ 2.96Å; E636-K640 IonicContact OE2-NZ 2.63Å; E636-K640 PolarHBondContact OE2-NZ 3.25Å; E637-K640 PolarHBondContact O-N 3.05Å
641	A	57.1	Low	56.4	Low	54 Å²	54	138.1 Å²	138.1	45%	0.446	67%	0.672	S	S	.	*	H	α-helix	trans	-71.7	-44.8	172.6	0	0	0	0	0	112.3	E637 K639 E643 K644	E637-A641 VanDerWaalsContact O-CB 3.29Å; E637-A641 WeakPolarHBondContact O-CB 3.37Å; E637-A641 PolarHBondContact O-N 3.49Å; K639-A641 VanDerWaalsContact C-N 3.29Å; K639-A641 PolarHBondContact O-N 2.77Å; A641-E643 PolarHBondContact O-N 2.69Å; A641-K644 PolarHBondContact O-N 3.31Å
642	K	53.9	Low	54.8	Low	176 Å²	176	139.6 Å²	139.6	77%	0.765	69%	0.693	S	S	*	*	H	α-helix	trans	-64.8	-19.4	-177	-85.1	-179.1	174.2	176	0	115	A638 K639	A638-K642 PolarHBondContact O-N 3.18Å; K639-K642 PolarHBondContact O-N 2.61Å
643	E	55.9	Low	52.9	Low	164 Å²	164	136.4 Å²	136.4	77%	0.766	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-16.5	174.5	-66.4	-172	129.5	0	0	113.7	A641	A641-E643 PolarHBondContact O-N 2.69Å
644	K	52.2	Low	51.5	Low	186 Å²	186	140.3 Å²	140.3	81%	0.809	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-17.1	-171.5	-88.7	-176.9	172.8	177.8	0	116.7	A641 K646	A641-K644 PolarHBondContact O-N 3.31Å; K644-K646 PolarHBondContact O-N 3.13Å
645	E	49	Very low	50.3	Low	183 Å²	183	138.9 Å²	138.9	86%	0.855	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	7.6	176.1	-67.2	-169	129.2	0	0	114
646	K	41.7	Very low	49.8	Very low	188 Å²	188	138.2 Å²	138.2	82%	0.817	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-6.7	-171.3	-141.7	177.6	-176.7	-176.8	0	115.2	K644	K644-K646 PolarHBondContact O-N 3.13Å
647	E	47.3	Very low	49.4	Very low	171 Å²	171	141.7 Å²	141.7	80%	0.799	73%	0.732	S	S	*	*	S	Bend	trans	-141.8	78.6	-174.8	-65.7	-171.1	158.1	0	0	113.3
648	K	39	Very low	49.5	Very low	203 Å²	203	139 Å²	139	88%	0.883	72%	0.724	S	S	*	*			trans	152.6	108.6	148	-85.8	156.1	-173.8	170.5	0	112.2
649	E	33.7	Very low	50.1	Low	194 Å²	194	143.1 Å²	143.1	91%	0.907	73%	0.733	S	S	*	*				174.7	111.3	111	-95.3	-171	169.2	0	0	110.1
650	E	39	Very low	50.6	Low	191 Å²	191	141.7 Å²	141.7	89%	0.893	73%	0.733	S	S	*	*			trans	-86.2	175	159.7	-62.6	-176.8	119.4	0	0	109.5
651	A	40.2	Very low	51.1	Low	106 Å²	106	138.8 Å²	138.8	88%	0.876	73%	0.73	S	S	*	*	S	Bend	trans	78.2	52.6	173.4	0	0	0	0	0	119.3
652	G	34.3	Very low	52.4	Low	86 Å²	86	143.3 Å²	143.3	89%	0.887	74%	0.74	S	S	*	*				73.2	110.8	122.1	0	0	0	0	0	121.6
653	G	35.1	Very low	53.8	Low	75 Å²	75	141.7 Å²	141.7	77%	0.773	73%	0.733	S	S	*	*			trans	-178.1	97	162.7	0	0	0	0	0	118.1
654	K	41.5	Very low	54.9	Low	200 Å²	200	138.4 Å²	138.4	87%	0.87	72%	0.719	S	S	*	*			trans	60.2	92.3	157.5	-57.6	176.8	-178.9	177.3	0	118.5	D656	K654-D656 PolarHBondContact O-N 2.77Å
655	P	44.2	Very low	56.4	Low	93 Å²	93	134 Å²	134	60%	0.604	71%	0.708	S	S	*	*			trans	-96.7	29.5	-171.6	38.8	-37.5	0	0	0	117.9
656	D	59	Low	58.3	Low	103 Å²	103	132.1 Å²	132.1	55%	0.551	70%	0.697	S	S	*	*	H	α-helix	trans	-79.7	-31.7	176.7	-80.1	-48.3	0	0	0	114.3	K654 V658 K659 V660	K654-D656 PolarHBondContact O-N 2.77Å; D656-V658 PolarHBondContact O-N 3.21Å; D656-K659 WeakPolarHBondContact O-CB 3.41Å; D656-K659 PolarHBondContact O-N 3.06Å; D656-K659 VanDerWaalsContact O-N 3.11Å; D656-K659 WeakPolarHBondContact OD1-CE 3.35Å; D656-K659 IonicContact OD1-NZ 3.24Å; D656-K659 PolarHBondContact OD1-NZ 2.8Å; D656-V660 PolarHBondContact O-N 2.95Å
657	K	58.6	Low	60.4	Low	185 Å²	185	127.2 Å²	127.2	80%	0.804	68%	0.68	S	S	*	*	H	α-helix	trans	-59.5	-29.9	173.2	-70.9	-172.3	177.3	-176.2	0	112.4	K659 V660 A661	K657-K659 VanDerWaalsContact C-N 3.34Å; K657-K659 PolarHBondContact O-N 3.11Å; K657-V660 PolarHBondContact O-N 2.87Å; K657-A661 WeakPolarHBondContact O-CB 3.5Å; K657-A661 PolarHBondContact O-N 2.81Å
658	V	68.2	Low	62.2	Low	77 Å²	77	124.7 Å²	124.7	47%	0.467	67%	0.669	S	S	.	*	H	α-helix	trans	-67.2	-33.5	178.5	-176.1	0	0	0	0	111.8	D656 K662	D656-V658 PolarHBondContact O-N 3.21Å; V658-K662 HydrophobicContact CG1-CD 4.35Å; V658-K662 WeakPolarHBondContact O-CB 3.22Å; V658-K662 WeakPolarHBondContact O-CG 3.34Å; V658-K662 PolarHBondContact O-N 2.71Å
659	K	75	Confident	64.4	Low	140 Å²	140	119.5 Å²	119.5	61%	0.609	65%	0.648	S	S	*	*	H	α-helix	trans	-67.4	-43	174.7	-61.1	173.1	-171.3	160.5	0	110.9	D656 K657 K662 K663	D656-K659 WeakPolarHBondContact O-CB 3.41Å; D656-K659 PolarHBondContact O-N 3.06Å; D656-K659 VanDerWaalsContact O-N 3.11Å; D656-K659 WeakPolarHBondContact OD1-CE 3.35Å; D656-K659 IonicContact OD1-NZ 3.24Å; D656-K659 PolarHBondContact OD1-NZ 2.8Å; K657-K659 VanDerWaalsContact C-N 3.34Å; K657-K659 PolarHBondContact O-N 3.11Å; K659-K662 PolarHBondContact O-N 2.84Å; K659-K663 WeakPolarHBondContact O-CB 3.44Å; K659-K663 PolarHBondContact O-N 3.12Å
660	V	75.5	Confident	66.9	Low	89 Å²	89	117.4 Å²	117.4	54%	0.539	64%	0.636	S	S	.	*	H	α-helix	trans	-63.5	-48.1	176.1	-179	0	0	0	0	110.7	D656 K657 K662 K663 I664	D656-V660 PolarHBondContact O-N 2.95Å; K657-V660 PolarHBondContact O-N 2.87Å; V660-K662 PolarHBondContact O-N 2.86Å; V660-K663 WeakPolarHBondContact O-CB 3.43Å; V660-K663 PolarHBondContact O-N 2.98Å; V660-K663 VanDerWaalsContact O-N 3.1Å; V660-I664 HydrophobicContact CG1-CD1 3.89Å; V660-I664 HydrophobicContact CG1-CG1 4.47Å; V660-I664 WeakPolarHBondContact O-CG1 3.24Å; V660-I664 PolarHBondContact O-N 3.06Å
661	A	73.4	Confident	68.8	Low	50 Å²	50	116.5 Å²	116.5	41%	0.413	62%	0.624	S	S	.	*	H	α-helix	trans	-59	-46.4	176.6	0	0	0	0	0	112.4	K657 K663 I664 V665	K657-A661 WeakPolarHBondContact O-CB 3.5Å; K657-A661 PolarHBondContact O-N 2.81Å; A661-K663 VanDerWaalsContact C-N 3.26Å; A661-K663 PolarHBondContact O-N 2.86Å; A661-I664 PolarHBondContact O-N 3.14Å; A661-V665 WeakPolarHBondContact O-CG2 3.3Å; A661-V665 PolarHBondContact O-N 3.46Å
662	K	83.2	Confident	70.6	Confident	149 Å²	149	113.8 Å²	113.8	65%	0.648	60%	0.602	S	S	*	*	H	α-helix	trans	-64.8	-27.3	175.5	-76.2	-176.9	175.9	-178.6	0	113.3	V658 K659 V660 K666	V658-K662 HydrophobicContact CG1-CD 4.35Å; V658-K662 WeakPolarHBondContact O-CB 3.22Å; V658-K662 WeakPolarHBondContact O-CG 3.34Å; V658-K662 PolarHBondContact O-N 2.71Å; K659-K662 PolarHBondContact O-N 2.84Å; V660-K662 PolarHBondContact O-N 2.86Å; K662-K666 PolarHBondContact O-N 3.38Å
663	K	84.1	Confident	73	Confident	143 Å²	143	115.5 Å²	115.5	62%	0.622	59%	0.585	S	S	*	*	H	α-helix	trans	-72.6	-48	172.5	-166.6	179.3	178.9	-172.9	0	111.1	K659 V660 A661 V665 K666 D667	K659-K663 WeakPolarHBondContact O-CB 3.44Å; K659-K663 PolarHBondContact O-N 3.12Å; V660-K663 WeakPolarHBondContact O-CB 3.43Å; V660-K663 PolarHBondContact O-N 2.98Å; V660-K663 VanDerWaalsContact O-N 3.1Å; A661-K663 VanDerWaalsContact C-N 3.26Å; A661-K663 PolarHBondContact O-N 2.86Å; K663-V665 PolarHBondContact O-N 2.87Å; K663-K666 PolarHBondContact O-N 3.45Å; K663-K666 VanDerWaalsContact O-N 3.14Å; K663-D667 PolarHBondContact O-N 3.06Å
664	I	79.8	Confident	75.2	Confident	94 Å²	94	117.3 Å²	117.3	48%	0.482	57%	0.574	S	S	.	*	H	α-helix	trans	-58.3	-45.4	176.6	-66.5	166.9	0	0	0	111.1	V660 A661 K666 D667 M668	V660-I664 HydrophobicContact CG1-CD1 3.89Å; V660-I664 HydrophobicContact CG1-CG1 4.47Å; V660-I664 WeakPolarHBondContact O-CG1 3.24Å; V660-I664 PolarHBondContact O-N 3.06Å; A661-I664 PolarHBondContact O-N 3.14Å; I664-K666 VanDerWaalsContact C-N 3.33Å; I664-K666 PolarHBondContact O-N 2.95Å; I664-D667 PolarHBondContact O-N 2.78Å; I664-M668 HydrophobicContact CG2-CG 4.48Å; I664-M668 HydrophobicContact CG2-SD 4.39Å; I664-M668 WeakPolarHBondContact O-CG 3.2Å; I664-M668 PolarHBondContact O-N 3.26Å
665	V	83.5	Confident	76.7	Confident	93 Å²	93	111.3 Å²	111.3	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-40.3	177	171.5	0	0	0	0	111.7	A661 K663 M668 E669	A661-V665 WeakPolarHBondContact O-CG2 3.3Å; A661-V665 PolarHBondContact O-N 3.46Å; K663-V665 PolarHBondContact O-N 2.87Å; V665-M668 PolarHBondContact O-N 3.04Å; V665-E669 WeakPolarHBondContact O-CB 3.48Å; V665-E669 PolarHBondContact O-N 3.06Å
666	K	89.1	Confident	78.1	Confident	144 Å²	144	111.4 Å²	111.4	63%	0.626	55%	0.546	S	S	*	.	H	α-helix	trans	-70.5	-33.8	175.7	-83.8	-169.4	169.5	-172.2	0	113.8	K662 K663 I664 E669 K670	K662-K666 PolarHBondContact O-N 3.38Å; K663-K666 PolarHBondContact O-N 3.45Å; K663-K666 VanDerWaalsContact O-N 3.14Å; I664-K666 VanDerWaalsContact C-N 3.33Å; I664-K666 PolarHBondContact O-N 2.95Å; K666-E669 PolarHBondContact O-N 3.2Å; K666-K670 WeakPolarHBondContact O-CB 3.39Å; K666-K670 WeakPolarHBondContact O-CG 3.27Å; K666-K670 PolarHBondContact O-N 3.04Å
667	D	85.1	Confident	78.7	Confident	86 Å²	86	113.3 Å²	113.3	46%	0.46	55%	0.552	S	S	.	*	H	α-helix	trans	-72.1	-36.9	174.2	-75.8	-24.3	0	0	0	111.1	K663 I664 K670 W671	K663-D667 PolarHBondContact O-N 3.06Å; I664-D667 PolarHBondContact O-N 2.78Å; D667-K670 PolarHBondContact O-N 3.23Å; D667-W671 VanDerWaalsContact O-CB 3.24Å; D667-W671 WeakPolarHBondContact O-CB 3.49Å; D667-W671 PolarHBondContact O-N 3.32Å
668	M	84.6	Confident	79.1	Confident	117 Å²	117	112.1 Å²	112.1	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-62.5	-43.2	169.2	-73.7	-174.6	72.9	0	0	112.3	I664 V665 W671 A672	I664-M668 HydrophobicContact CG2-CG 4.48Å; I664-M668 HydrophobicContact CG2-SD 4.39Å; I664-M668 WeakPolarHBondContact O-CG 3.2Å; I664-M668 PolarHBondContact O-N 3.26Å; V665-M668 PolarHBondContact O-N 3.04Å; M668-W671 PolarHBondContact O-N 2.95Å; M668-A672 WeakPolarHBondContact O-CB 3.23Å; M668-A672 PolarHBondContact O-N 3.06Å
669	E	85.1	Confident	78.6	Confident	95 Å²	95	115.7 Å²	115.7	44%	0.444	56%	0.556	S	S	.	*	H	α-helix	trans	-64.1	-41.1	177.1	-164	-158.8	143	0	0	111.7	V665 K666 K673	V665-E669 WeakPolarHBondContact O-CB 3.48Å; V665-E669 PolarHBondContact O-N 3.06Å; K666-E669 PolarHBondContact O-N 3.2Å; E669-K673 WeakPolarHBondContact O-CB 3.41Å; E669-K673 WeakPolarHBondContact O-CG 3.26Å; E669-K673 PolarHBondContact O-N 2.72Å; E669-K673 VanDerWaalsContact O-N 3.07Å; E669-K673 IonicContact OE1-NZ 3.98Å; E669-K673 PolarHBondContact OE1-NZ 2.85Å
670	K	86.7	Confident	77.4	Confident	150 Å²	150	114.9 Å²	114.9	65%	0.652	56%	0.558	S	S	*	*	H	α-helix	trans	-63.6	-45.5	172.2	-84.4	-174.4	169.4	-171.7	0	112.2	K666 D667 K673 Q674	K666-K670 WeakPolarHBondContact O-CB 3.39Å; K666-K670 WeakPolarHBondContact O-CG 3.27Å; K666-K670 PolarHBondContact O-N 3.04Å; D667-K670 PolarHBondContact O-N 3.23Å; K670-K673 PolarHBondContact O-N 3.16Å; K670-Q674 WeakPolarHBondContact O-CB 3.46Å; K670-Q674 PolarHBondContact O-N 3.43Å
671	W	78.7	Confident	75.8	Confident	171 Å²	171	120.6 Å²	120.6	65%	0.648	57%	0.572	S	S	*	*	H	α-helix	trans	-63.5	-45.1	-179	-175.1	53.3	0	0	0	111.2	D667 M668 K673 Q674 L675	D667-W671 VanDerWaalsContact O-CB 3.24Å; D667-W671 WeakPolarHBondContact O-CB 3.49Å; D667-W671 PolarHBondContact O-N 3.32Å; M668-W671 PolarHBondContact O-N 2.95Å; W671-K673 PolarHBondContact O-N 2.78Å; W671-Q674 PolarHBondContact O-N 2.66Å; W671-L675 WeakPolarHBondContact O-CB 3.48Å; W671-L675 PolarHBondContact O-N 3.43Å
672	A	79.2	Confident	74.2	Confident	50 Å²	50	124.2 Å²	124.2	41%	0.413	59%	0.588	S	S	.	*	H	α-helix	trans	-59.7	-44.3	173.7	0	0	0	0	0	112.3	M668 Q674 L675 N676	M668-A672 WeakPolarHBondContact O-CB 3.23Å; M668-A672 PolarHBondContact O-N 3.06Å; A672-Q674 VanDerWaalsContact C-N 3.34Å; A672-Q674 PolarHBondContact O-N 2.97Å; A672-L675 PolarHBondContact O-N 3.32Å; A672-N676 PolarHBondContact O-N 2.73Å
673	K	84.2	Confident	71.9	Confident	121 Å²	121	121.2 Å²	121.2	53%	0.526	59%	0.592	S	S	.	*	H	α-helix	trans	-62.1	-39.8	174.9	-77.8	171.5	172.8	174.1	0	112.5	E669 K670 W671 Q677	E669-K673 WeakPolarHBondContact O-CB 3.41Å; E669-K673 WeakPolarHBondContact O-CG 3.26Å; E669-K673 PolarHBondContact O-N 2.72Å; E669-K673 VanDerWaalsContact O-N 3.07Å; E669-K673 IonicContact OE1-NZ 3.98Å; E669-K673 PolarHBondContact OE1-NZ 2.85Å; K670-K673 PolarHBondContact O-N 3.16Å; W671-K673 PolarHBondContact O-N 2.78Å; K673-Q677 WeakPolarHBondContact O-CB 3.44Å; K673-Q677 WeakPolarHBondContact O-CG 3.24Å; K673-Q677 PolarHBondContact O-N 3.49Å
674	Q	80.5	Confident	69.6	Low	113 Å²	113	121.2 Å²	121.2	53%	0.528	60%	0.603	S	S	.	*	H	α-helix	trans	-73	-29.7	178.3	-161.8	176.2	36.4	0	0	112.7	K670 W671 A672 K678	K670-Q674 WeakPolarHBondContact O-CB 3.46Å; K670-Q674 PolarHBondContact O-N 3.43Å; W671-Q674 PolarHBondContact O-N 2.66Å; A672-Q674 VanDerWaalsContact C-N 3.34Å; A672-Q674 PolarHBondContact O-N 2.97Å; Q674-K678 WeakPolarHBondContact O-CB 3.28Å; Q674-K678 WeakPolarHBondContact O-CG 3.48Å; Q674-K678 PolarHBondContact O-N 3.4Å
675	L	73.8	Confident	67.5	Low	75 Å²	75	120.7 Å²	120.7	39%	0.393	61%	0.613	S	S	.	*	H	α-helix	trans	-73.9	-41.2	175.3	-150.2	165.8	0	0	0	110.7	W671 A672 K678 K679	W671-L675 WeakPolarHBondContact O-CB 3.48Å; W671-L675 PolarHBondContact O-N 3.43Å; A672-L675 PolarHBondContact O-N 3.32Å; L675-K678 PolarHBondContact O-N 3.5Å; L675-K679 HydrophobicContact CD2-CD 4.28Å; L675-K679 HydrophobicContact CD2-CG 4.44Å; L675-K679 PolarHBondContact O-N 3.49Å; L675-K679 VanDerWaalsContact O-N 3.08Å
676	N	74	Confident	65.2	Low	94 Å²	94	122.7 Å²	122.7	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-63.5	-50.3	171.7	-71.1	2.7	0	0	0	111.2	A672 K678 K679 D680	A672-N676 PolarHBondContact O-N 2.73Å; N676-K678 PolarHBondContact O-N 2.79Å; N676-K679 CarbonylContact O-C 3.56Å; N676-K679 WeakPolarHBondContact O-CA 3.22Å; N676-K679 PolarHBondContact O-N 2.75Å; N676-D680 PolarHBondContact O-N 2.87Å; N676-D680 VanDerWaalsContact O-OD2 3.08Å
677	Q	70	Confident	62.7	Low	143 Å²	143	120.8 Å²	120.8	67%	0.668	63%	0.628	S	S	*	*	H	α-helix	trans	-56.1	-25.3	175.1	-78.3	-176.1	-30.4	0	0	114.2	K673	K673-Q677 WeakPolarHBondContact O-CB 3.44Å; K673-Q677 WeakPolarHBondContact O-CG 3.24Å; K673-Q677 PolarHBondContact O-N 3.49Å
678	K	67.6	Low	60.1	Low	161 Å²	161	124.5 Å²	124.5	70%	0.7	64%	0.642	S	S	*	*	H	α-helix	trans	-86.6	-17.3	172.9	-78.2	-174.9	172.9	-172.1	0	114.6	Q674 L675 N676	Q674-K678 WeakPolarHBondContact O-CB 3.28Å; Q674-K678 WeakPolarHBondContact O-CG 3.48Å; Q674-K678 PolarHBondContact O-N 3.4Å; L675-K678 PolarHBondContact O-N 3.5Å; N676-K678 PolarHBondContact O-N 2.79Å
679	K	58	Low	57.7	Low	152 Å²	152	123.8 Å²	123.8	66%	0.661	65%	0.646	S	S	*	*	H	α-helix	trans	-86.8	-35.7	169.6	-81	-173.2	170.1	-175.3	0	112.3	L675 N676 Y681	L675-K679 HydrophobicContact CD2-CD 4.28Å; L675-K679 HydrophobicContact CD2-CG 4.44Å; L675-K679 PolarHBondContact O-N 3.49Å; L675-K679 VanDerWaalsContact O-N 3.08Å; N676-K679 CarbonylContact O-C 3.56Å; N676-K679 WeakPolarHBondContact O-CA 3.22Å; N676-K679 PolarHBondContact O-N 2.75Å; K679-Y681 PolarHBondContact O-N 3.35Å
680	D	50.2	Low	55.3	Low	122 Å²	122	126 Å²	126	65%	0.652	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-7.6	-174.6	-58.9	-28.3	0	0	0	113.4	N676	N676-D680 PolarHBondContact O-N 2.87Å; N676-D680 VanDerWaalsContact O-OD2 3.08Å
681	Y	42.2	Very low	53	Low	210 Å²	210	126.7 Å²	126.7	82%	0.824	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	6.4	-177	-150.5	-101.5	0	0	0	115	K679	K679-Y681 PolarHBondContact O-N 3.35Å
682	T	38.2	Very low	51	Low	125 Å²	125	122.4 Å²	122.4	77%	0.767	67%	0.666	S	S	*	*	S	Bend	trans	-132.4	47.9	-174.4	-30.4	0	0	0	0	113.2
683	A	36.2	Very low	49	Very low	87 Å²	87	126.6 Å²	126.6	72%	0.719	68%	0.681	S	S	*	*			trans	-144.1	80.6	-178.7	0	0	0	0	0	114.1
684	V	35.2	Very low	46.8	Very low	143 Å²	143	126.7 Å²	126.7	87%	0.867	69%	0.692	S	S	*	*			trans	-141.9	99.5	164.2	-176.2	0	0	0	0	106.2
685	A	34.7	Very low	44.7	Very low	82 Å²	82	129.9 Å²	129.9	68%	0.678	71%	0.707	S	S	*	*				93.2	154.6	58.5	0	0	0	0	0	114.3
686	T	35.6	Very low	42.9	Very low	136 Å²	136	131.2 Å²	131.2	83%	0.834	73%	0.729	S	S	*	*			trans	114	152.8	162.8	66.6	0	0	0	0	114.9
687	P	36.1	Very low	41.2	Very low	103 Å²	103	130.5 Å²	130.5	67%	0.669	74%	0.737	S	S	*	*			cis	-137.2	-168.9	15.6	35.5	-12.6	0	0	0	117.5
688	Q	30.4	Very low	39.7	Very low	164 Å²	164	129.7 Å²	129.7	77%	0.766	74%	0.742	S	S	*	*			trans	92.4	150.8	167.1	-47.9	-56.5	-11.1	0	0	116.9
689	P	35.4	Very low	38.3	Very low	102 Å²	102	128.4 Å²	128.4	66%	0.662	75%	0.747	S	S	*	*				-138.2	-161	-79.2	32.9	-10.3	0	0	0	114.3
690	I	34.6	Very low	37.4	Very low	141 Å²	141	127.2 Å²	127.2	72%	0.723	76%	0.758	S	S	*	*			trans	111	108.6	156.4	-59.2	171.3	0	0	0	117.6
691	L	37.8	Very low	36.7	Very low	165 Å²	165	132.9 Å²	132.9	86%	0.864	77%	0.77	S	S	*	*			trans	59.4	147.6	152.1	-60.8	170.5	0	0	0	120.4
692	S	36.5	Very low	36.2	Very low	82 Å²	82	127.1 Å²	127.1	57%	0.573	77%	0.766	S	S	*	*			cis	-156.5	164.6	-16.5	60.2	0	0	0	0	111
693	D	38.1	Very low	36	Very low	137 Å²	137	126 Å²	126	73%	0.733	76%	0.764	S	S	*	*			trans	65.6	138.2	160.9	-45.7	-47.3	0	0	0	118.2
694	T	37.6	Very low	35.9	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	77%	0.773	S	S	*	*			cis	-152.4	156.3	2.8	-6.1	0	0	0	0	112.2
695	E	37.2	Very low	35.8	Very low	180 Å²	180	128.2 Å²	128.2	84%	0.841	77%	0.771	S	S	*	*			trans	63.6	110.4	156.5	-62.2	-171.9	173.6	0	0	123.3
696	A	36.3	Very low	35.6	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	78%	0.776	S	S	*	*			trans	63.2	140.3	134.2	0	0	0	0	0	122.9
697	A	37.2	Very low	35.8	Very low	79 Å²	79	133 Å²	133	65%	0.653	78%	0.778	S	S	*	*			cis	-165.8	140.9	-18.3	0	0	0	0	0	112.1
698	T	38.2	Very low	35.7	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	78%	0.78	S	S	*	*			trans	48.3	143.7	142.8	58.2	0	0	0	0	122.6
699	T	37.5	Very low	36.1	Very low	133 Å²	133	131.8 Å²	131.8	82%	0.816	78%	0.783	S	S	*	*			cis	179.5	146.9	-20.4	29.5	0	0	0	0	108.6
700	S	39.7	Very low	36	Very low	128 Å²	128	133 Å²	133	90%	0.895	79%	0.788	S	S	*	*			trans	-159.7	170.3	150.5	58.1	0	0	0	0	112.1
701	R	35.6	Very low	36.4	Very low	240 Å²	240	129.6 Å²	129.6	91%	0.906	79%	0.787	S	S	*	*			trans	-123.3	141	-162.5	-84	173.2	157.1	171.5	-7.8	114.2
702	A	32.1	Very low	36.3	Very low	89 Å²	89	131.1 Å²	131.1	74%	0.736	79%	0.787	S	S	*	*			trans	52.9	144.8	130.5	0	0	0	0	0	124.2
703	S	33.9	Very low	36.3	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	79%	0.792	S	S	*	*			trans	79.1	122.7	143.8	-72.8	0	0	0	0	122.4
704	Q	34.6	Very low	36.5	Very low	197 Å²	197	133.7 Å²	133.7	92%	0.921	80%	0.8	S	S	*	*			trans	64	133.9	137.9	-63	179.7	-10.7	0	0	120.1
705	G	32.6	Very low	36.4	Very low	79 Å²	79	135 Å²	135	81%	0.814	80%	0.802	S	S	*	*			trans	151.5	119.1	167.7	0	0	0	0	0	111.7
706	A	31.2	Very low	36.4	Very low	94 Å²	94	134.1 Å²	134.1	78%	0.777	80%	0.798	S	S	*	*			trans	-111.2	114	176.8	0	0	0	0	0	110.8
707	Y	38.5	Very low	36.7	Very low	225 Å²	225	138.6 Å²	138.6	88%	0.882	80%	0.798	S	S	*	*			trans	-144.3	126.4	159.1	-78	-87.1	0	0	0	105.2
708	A	34.8	Very low	36.7	Very low	85 Å²	85	144.1 Å²	144.1	70%	0.702	81%	0.807	S	S	*	*				81.8	100.6	50.7	0	0	0	0	0	113.7
709	D	38	Very low	36.7	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	81%	0.81	S	S	*	*			trans	80.5	155	132	-150.4	14.1	0	0	0	121.3
710	V	35	Very low	36.8	Very low	129 Å²	129	148.1 Å²	148.1	78%	0.782	81%	0.812	S	S	*	*			trans	56.1	132.3	166.7	-151.9	0	0	0	0	121
711	G	42.1	Very low	36.7	Very low	68 Å²	68	144.8 Å²	144.8	70%	0.701	80%	0.798	S	S	*	*			trans	115.7	86.9	161.5	0	0	0	0	0	113.2
712	F	35.1	Very low	36.8	Very low	198 Å²	198	143.2 Å²	143.2	87%	0.868	80%	0.798	S	S	*	*			cis	64.8	115.1	43.8	-140	-77	0	0	0	114
713	S	38.2	Very low	37.1	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	80%	0.802	S	S	*	*			trans	58.2	117.1	172.8	-68.7	0	0	0	0	119.3
714	I	41.5	Very low	37.5	Very low	176 Å²	176	147.2 Å²	147.2	90%	0.903	80%	0.798	S	S	*	*				-143.4	129.7	105.4	-101.5	157.7	0	0	0	109.4
715	L	35.5	Very low	37.8	Very low	151 Å²	151	144 Å²	144	79%	0.791	79%	0.787	S	S	*	*			trans	-121.8	170	173.2	-166.5	76.4	0	0	0	107
716	E	37.7	Very low	38.3	Very low	162 Å²	162	149.7 Å²	149.7	76%	0.757	79%	0.786	S	S	*	*			trans	72.7	108.9	164.3	-48.8	-161	132.3	0	0	119.9
717	K	41.8	Very low	38.8	Very low	197 Å²	197	150.2 Å²	150.2	86%	0.857	78%	0.779	S	S	*	*				174.7	136	109.7	-89.5	156.9	-174.6	174.4	0	108.7
718	K	37.5	Very low	38.9	Very low	196 Å²	196	144.3 Å²	144.3	85%	0.852	77%	0.768	S	S	*	*			cis	95.2	82	17.7	-162.1	-173.7	179.5	178.3	0	116.2
719	E	38.2	Very low	39.1	Very low	178 Å²	178	149.1 Å²	149.1	83%	0.832	78%	0.776	S	S	*	*			trans	-150.6	171.5	155.8	-62	-163.2	147.3	0	0	107.1
720	L	40.2	Very low	39.1	Very low	164 Å²	164	146.2 Å²	146.2	86%	0.859	77%	0.774	S	S	*	*			cis	-122.8	-163.7	-1.1	-92.2	100.2	0	0	0	108.5
721	G	36.2	Very low	39.3	Very low	59 Å²	59	143.5 Å²	143.5	61%	0.608	77%	0.772	S	S	*	*			cis	-169.7	-40.7	3	0	0	0	0	0	116.1
722	K	37.5	Very low	39.3	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.896	78%	0.778	S	S	*	*			trans	82.7	-176.7	-174.3	-52.1	176.6	171	-178.3	0	116.7
723	L	39.1	Very low	39.9	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	77%	0.773	S	S	*	*			trans	102.8	131.1	171.3	-56.5	-170.8	0	0	0	114.2
724	N	42.4	Very low	39.8	Very low	121 Å²	121	142.4 Å²	142.4	65%	0.647	78%	0.777	S	S	*	*			cis	-141.1	155.7	7.2	-107.7	17.9	0	0	0	113.5
725	D	41.7	Very low	39.9	Very low	129 Å²	129	142 Å²	142	69%	0.69	78%	0.776	S	S	*	*			trans	24.5	144.1	143.3	-43.4	-36.9	0	0	0	121.4
726	Y	42	Very low	40	Very low	199 Å²	199	139.8 Å²	139.8	78%	0.78	77%	0.773	S	S	*	*			cis	-159.1	144.1	26.7	-159.1	-115.7	0	0	0	107.2
727	V	42.1	Very low	40.2	Very low	105 Å²	105	141.5 Å²	141.5	64%	0.636	78%	0.777	S	S	*	*			cis	77.1	142.8	45.4	175.8	0	0	0	0	112.8
728	P	40.8	Very low	40.3	Very low	100 Å²	100	139.4 Å²	139.4	65%	0.649	78%	0.775	S	S	*	*			cis	-109.2	-151.9	-14.4	40.2	-24.1	0	0	0	111.4
729	E	39.1	Very low	40.4	Very low	186 Å²	186	136.5 Å²	136.5	87%	0.869	77%	0.773	S	S	*	*			cis	-149.1	-106.9	-1.4	-156.2	169.5	102.7	0	0	115.3
730	A	38	Very low	40.6	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	77%	0.769	S	S	*	*			trans	-143.8	170.5	-164.6	0	0	0	0	0	113.2
731	G	38.2	Very low	40.7	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	77%	0.765	S	S	*	*			cis	-169.5	-175.3	3.7	0	0	0	0	0	113.6
732	P	42.3	Very low	40.9	Very low	127 Å²	127	136.4 Å²	136.4	83%	0.825	78%	0.78	S	S	*	*			trans	-116.1	-166.5	-163.6	44.2	-35.9	0	0	0	115.1
733	P	47.2	Very low	41	Very low	119 Å²	119	130.5 Å²	130.5	77%	0.773	78%	0.777	S	S	*	*			cis	-134.1	-166.3	-30.6	29.9	-6.5	0	0	0	115.1
734	A	37.5	Very low	41.2	Very low	92 Å²	92	126.7 Å²	126.7	76%	0.76	78%	0.775	S	S	*	*			trans	76.5	167	165.4	0	0	0	0	0	117.3
735	I	43.1	Very low	41.3	Very low	168 Å²	168	127.2 Å²	127.2	86%	0.862	79%	0.786	S	S	*	*			cis	-143.6	-160.5	19.9	-18.4	177	0	0	0	112.7
736	S	37.6	Very low	41.1	Very low	104 Å²	104	126.6 Å²	126.6	73%	0.727	79%	0.791	S	S	*	*			trans	-143.7	175.8	-165.8	-42.8	0	0	0	0	116.2
737	K	42.2	Very low	41	Very low	198 Å²	198	124.5 Å²	124.5	86%	0.861	79%	0.794	S	S	*	*			trans	90.4	157.7	167.3	-56.1	173.2	175.8	178.7	0	116.3
738	L	43.5	Very low	41.1	Very low	153 Å²	153	123.8 Å²	123.8	80%	0.801	79%	0.793	S	S	*	*			cis	-152.3	155.9	1.5	-152.5	68.1	0	0	0	114.9
739	V	40	Very low	41.1	Very low	135 Å²	135	127.6 Å²	127.6	82%	0.818	80%	0.802	S	S	*	*			trans	-23.8	141.1	166.1	179	0	0	0	0	122.8
740	G	41.4	Very low	41.1	Very low	72 Å²	72	125.9 Å²	125.9	74%	0.742	80%	0.799	S	S	*	*			trans	101.2	152	134.1	0	0	0	0	0	119.3
741	A	41.8	Very low	41.2	Very low	94 Å²	94	128 Å²	128	78%	0.777	80%	0.797	S	S	*	*			cis	-166.4	176.2	-9.8	0	0	0	0	0	112
742	Y	41.5	Very low	41	Very low	234 Å²	234	130.8 Å²	130.8	92%	0.918	80%	0.795	S	S	*	*			trans	74	99.4	163.9	-97.7	-95.7	0	0	0	121.9
743	G	40	Very low	40.6	Very low	81 Å²	81	129.5 Å²	129.5	84%	0.835	79%	0.789	S	S	*	*				89.7	113.3	111.7	0	0	0	0	0	121.3
744	G	42.5	Very low	40	Very low	76 Å²	76	128.4 Å²	128.4	78%	0.784	79%	0.79	S	S	*	*			trans	146.9	113.7	163.2	0	0	0	0	0	113.7
745	P	45.4	Very low	39.7	Very low	133 Å²	133	130 Å²	130	86%	0.864	79%	0.786	S	S	*	*			trans	-103.9	146.6	-174.4	37.1	-31.9	0	0	0	114.3
746	S	37.3	Very low	39.4	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	77%	0.774	S	S	*	*			trans	-170	116.9	141.1	-165.6	0	0	0	0	112.9
747	D	40.4	Very low	39.4	Very low	155 Å²	155	132 Å²	132	83%	0.829	78%	0.777	S	S	*	*			trans	60.8	166.7	145	-138.1	-5.5	0	0	0	122.6
748	S	44	Very low	38.9	Very low	90 Å²	90	126.7 Å²	126.7	63%	0.629	77%	0.77	S	S	*	*			trans	64.9	102.3	164.6	76.3	0	0	0	0	121.6
749	E	39.5	Very low	38.5	Very low	179 Å²	179	126 Å²	126	84%	0.836	77%	0.767	S	S	*	*				81.3	126.8	129	-59.9	179.7	176.8	0	0	122.1
750	D	40.6	Very low	38.1	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	77%	0.765	S	S	*	*			trans	74.5	150.1	146.4	-68.2	-10	0	0	0	125.9
751	D	39.9	Very low	37.7	Very low	138 Å²	138	128.5 Å²	128.5	74%	0.738	77%	0.766	S	S	*	*			trans	67.6	94.4	160	-91.5	-34.9	0	0	0	123.4
752	N	34.4	Very low	37.4	Very low	132 Å²	132	129.7 Å²	129.7	71%	0.706	77%	0.769	S	S	*	*				91	135.2	111.5	-118.3	-56.2	0	0	0	123.9
753	S	33.8	Very low	37	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	77%	0.769	S	S	*	*			trans	66.2	102.7	145	-76.5	0	0	0	0	123.1
754	A	33.4	Very low	36.7	Very low	96 Å²	96	125.2 Å²	125.2	79%	0.793	76%	0.762	S	S	*	*			trans	70.7	163.7	136.2	0	0	0	0	0	118.2
755	N	31.9	Very low	36.2	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	76%	0.764	S	S	*	*			cis	-155	142.5	10.4	-158.5	10.5	0	0	0	113.7
756	Q	37.3	Very low	35.7	Very low	129 Å²	129	131.3 Å²	131.3	60%	0.603	77%	0.765	S	S	*	*			trans	47.8	141	145.5	-87.8	171.6	57.3	0	0	124.4
757	K	35.9	Very low	35.4	Very low	184 Å²	184	137 Å²	137	80%	0.8	77%	0.769	S	S	*	*			trans	68.9	145.2	153.8	-64.4	156.8	-178.2	159.9	0	115.8
758	A	32.4	Very low	35.2	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	76%	0.763	S	S	*	*			cis	-160.2	-177.1	-17.3	0	0	0	0	0	105.4
759	L	34.9	Very low	35.3	Very low	138 Å²	138	136.5 Å²	136.5	72%	0.723	77%	0.77	S	S	*	*			cis	-164.8	155	20.1	-167.1	70.4	0	0	0	108.1
760	E	32.2	Very low	35.5	Very low	168 Å²	168	131.8 Å²	131.8	79%	0.785	76%	0.757	S	S	*	*			trans	61.8	136.3	153.6	-84.3	154.7	-143.8	0	0	124.9
761	A	32.6	Very low	36.5	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	75%	0.746	S	S	*	*			trans	90.2	135	140.5	0	0	0	0	0	123.5
762	S	35.7	Very low	37.7	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	73%	0.732	S	S	*	*			trans	75.1	102.6	159	65.5	0	0	0	0	121.4
763	V	33.6	Very low	39.6	Very low	153 Å²	153	124.4 Å²	124.4	93%	0.927	72%	0.719	S	S	*	*			trans	-6.5	123.1	141	-175.6	0	0	0	0	116.3
764	G	32.9	Very low	41.8	Very low	67 Å²	67	124.3 Å²	124.3	69%	0.691	71%	0.71	S	S	*	*			trans	-177.5	52.8	178.5	0	0	0	0	0	118.9	K766	G764-K766 PolarHBondContact O-N 2.89Å
765	T	32.6	Very low	44.3	Very low	133 Å²	133	122.8 Å²	122.8	82%	0.816	69%	0.685	S	S	*	*			trans	-7.6	109.9	168	-53.4	0	0	0	0	118.6
766	K	35.3	Very low	47	Very low	204 Å²	204	117.3 Å²	117.3	89%	0.887	66%	0.656	S	S	*	*			trans	-140.8	107.7	149.5	-71.2	-168.3	-179.9	177	0	111.2	G764	G764-K766 PolarHBondContact O-N 2.89Å
767	R	31.1	Very low	49.5	Very low	235 Å²	235	112.9 Å²	112.9	89%	0.887	64%	0.636	S	S	*	*			trans	-77.4	135.9	162.4	-80.1	179.2	167.4	-177.2	-7.3	108.8
768	A	34.7	Very low	52	Low	86 Å²	86	109 Å²	109	71%	0.711	62%	0.619	S	S	*	*			trans	-148.8	118.8	165.2	0	0	0	0	0	109.9
769	I	46.1	Very low	54.6	Low	150 Å²	150	113.7 Å²	113.7	77%	0.769	63%	0.626	S	S	*	*			trans	55.1	97.7	155.5	-49.6	168.2	0	0	0	115.3
770	S	44.6	Very low	57.1	Low	80 Å²	80	113.7 Å²	113.7	56%	0.559	62%	0.621	S	S	*	*			trans	-68.5	127.5	159.8	-91.7	0	0	0	0	110	D774	S770-D774 WeakPolarHBondContact CB-OD2 3.27Å; S770-D774 PolarHBondContact OG-OD2 3.44Å
771	D	60.6	Low	59.9	Low	108 Å²	108	107.7 Å²	107.7	58%	0.578	59%	0.594	S	S	*	*			trans	-81.1	165.8	180	-85.8	-45.5	0	0	0	112.4	S773 D774	D771-S773 WeakPolarHBondContact CB-OG 3.44Å; D771-S773 PolarHBondContact O-N 2.94Å; D771-D774 PolarHBondContact O-N 3.4Å; D771-D774 VanDerWaalsContact O-N 3.11Å
772	E	66.2	Low	62.6	Low	97 Å²	97	104.7 Å²	104.7	45%	0.453	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-63.4	-11.5	-179.2	-55.5	-171.7	160.1	0	0	112.8	V776 L810 K814	E772-V776 WeakPolarHBondContact O-CG2 3.43Å; E772-L810 HydrophobicContact CG-CD1 4.36Å; E772-L810 HydrophobicContact CG-CD2 4.04Å; E772-L810 WeakPolarHBondContact OE1-CD1 3.5Å; E772-K814 IonicContact OE1-NZ 2.61Å; E772-K814 PolarHBondContact OE1-NZ 2.98Å
773	S	73.2	Confident	65.4	Low	61 Å²	61	99 Å²	99	43%	0.427	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-60.9	-37.8	170.2	46.5	0	0	0	0	114.3	D771 Y775 V776	D771-S773 WeakPolarHBondContact CB-OG 3.44Å; D771-S773 PolarHBondContact O-N 2.94Å; S773-Y775 PolarHBondContact O-N 2.84Å; S773-V776 PolarHBondContact O-N 3.37Å
774	D	81.2	Confident	68	Low	96 Å²	96	96 Å²	96	51%	0.513	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-65.1	-19	-169.7	-66.3	4.9	0	0	0	112.3	S770 D771	S770-D774 WeakPolarHBondContact CB-OD2 3.27Å; S770-D774 PolarHBondContact OG-OD2 3.44Å; D771-D774 PolarHBondContact O-N 3.4Å; D771-D774 VanDerWaalsContact O-N 3.11Å
775	Y	85.7	Confident	70.7	Confident	65 Å²	65	93.4 Å²	93.4	26%	0.255	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-106.4	10.7	-179.4	-63.4	-77.6	0	0	0	113.5	S773 L784 L785 L813 E820	S773-Y775 PolarHBondContact O-N 2.84Å; Y775-L784 WeakPolarHBondContact O-CB 3.06Å; Y775-L784 PolarHBondContact O-N 2.97Å; Y775-L785 HydrophobicContact CD1-CG 4.23Å; Y775-L785 HydrophobicContact CD2-CD1 4.13Å; Y775-L785 HydrophobicContact CD2-CG 4.42Å; Y775-L785 HydrophobicContact CG-CD1 3.9Å; Y775-L785 HydrophobicContact CG-CG 3.83Å; Y775-L785 PolarHBondContact O-N 3.19Å; Y775-L813 HydrophobicContact CD1-CD1 4.46Å; Y775-L813 HydrophobicContact CE1-CD1 3.96Å; Y775-L813 HydrophobicContact CE2-CD1 4.33Å; Y775-E820 PolarHBondContact OH-OE1 2.96Å
776	V	88.3	Confident	73.4	Confident	11 Å²	11	87.7 Å²	87.7	7%	0.067	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	106.3	-176.8	-178.9	0	0	0	0	111	E772 S773 F778 L796 L800	E772-V776 WeakPolarHBondContact O-CG2 3.43Å; S773-V776 PolarHBondContact O-N 3.37Å; V776-F778 HydrophobicContact CB-CE2 4.05Å; V776-F778 HydrophobicContact CB-CZ 4.28Å; V776-F778 HydrophobicContact CG1-CD1 4.24Å; V776-F778 HydrophobicContact CG1-CD2 4.07Å; V776-F778 HydrophobicContact CG1-CE1 3.96Å; V776-F778 HydrophobicContact CG1-CE2 3.77Å; V776-F778 HydrophobicContact CG1-CG 4.3Å; V776-F778 HydrophobicContact CG1-CZ 3.72Å; V776-F778 VanDerWaalsContact O-CD2 3.31Å; V776-F778 WeakPolarHBondContact O-CD2 3.33Å; V776-F778 PolarHBondContact O-N 2.92Å; V776-L796 HydrophobicContact CG1-CD1 4.13Å; V776-L796 HydrophobicContact CG1-CD2 3.89Å; V776-L796 HydrophobicContact CG1-CG 4.34Å; V776-L800 HydrophobicContact CG1-CD1 4.28Å; V776-L800 HydrophobicContact CG2-CD1 4.12Å; V776-L800 HydrophobicContact CG2-CD2 3.63Å
777	D	89.2	Confident	76	Confident	35 Å²	35	86 Å²	86	19%	0.187	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	96.7	173.6	-176.3	-26.1	0	0	0	109.6	Q779 K780 L781 T782	D777-Q779 VanDerWaalsContact C-N 3.28Å; D777-Q779 PolarHBondContact O-N 3.12Å; D777-Q779 WeakPolarHBondContact OD1-CB 3.3Å; D777-Q779 PolarHBondContact OD1-N 3.4Å; D777-K780 HydrophobicContact CB-CB 4.47Å; D777-K780 PolarHBondContact OD1-N 2.87Å; D777-K780 VanDerWaalsContact OD2-CD 3.25Å; D777-K780 WeakPolarHBondContact OD2-CD 3.48Å; D777-K780 WeakPolarHBondContact OD2-CE 3.25Å; D777-K780 WeakPolarHBondContact OD2-CG 3.36Å; D777-K780 IonicContact OD2-NZ 2.69Å; D777-K780 PolarHBondContact OD2-NZ 2.94Å; D777-L781 WeakPolarHBondContact O-CA 3.47Å; D777-L781 PolarHBondContact O-N 2.63Å; D777-T782 PolarHBondContact N-O 3.27Å; D777-T782 PolarHBondContact O-N 3.14Å
778	F	88.1	Confident	78.8	Confident	103 Å²	103	80.3 Å²	80.3	45%	0.452	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-24.4	177.9	-67.7	-84.8	0	0	0	113.5	V776 L796	V776-F778 HydrophobicContact CB-CE2 4.05Å; V776-F778 HydrophobicContact CB-CZ 4.28Å; V776-F778 HydrophobicContact CG1-CD1 4.24Å; V776-F778 HydrophobicContact CG1-CD2 4.07Å; V776-F778 HydrophobicContact CG1-CE1 3.96Å; V776-F778 HydrophobicContact CG1-CE2 3.77Å; V776-F778 HydrophobicContact CG1-CG 4.3Å; V776-F778 HydrophobicContact CG1-CZ 3.72Å; V776-F778 VanDerWaalsContact O-CD2 3.31Å; V776-F778 WeakPolarHBondContact O-CD2 3.33Å; V776-F778 PolarHBondContact O-N 2.92Å; F778-L796 HydrophobicContact CD1-CD2 4.28Å
779	Q	87	Confident	81.5	Confident	185 Å²	185	79.8 Å²	79.8	86%	0.864	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-39.3	179.2	-64.4	-175.9	-4.4	0	0	111.4	D777	D777-Q779 VanDerWaalsContact C-N 3.28Å; D777-Q779 PolarHBondContact O-N 3.12Å; D777-Q779 WeakPolarHBondContact OD1-CB 3.3Å; D777-Q779 PolarHBondContact OD1-N 3.4Å
780	K	88.4	Confident	83.7	Confident	139 Å²	139	74.3 Å²	74.3	60%	0.604	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.6	176.7	-59.2	-175.7	-166.5	68.6	0	113.4	D777 T782	D777-K780 HydrophobicContact CB-CB 4.47Å; D777-K780 PolarHBondContact OD1-N 2.87Å; D777-K780 VanDerWaalsContact OD2-CD 3.25Å; D777-K780 WeakPolarHBondContact OD2-CD 3.48Å; D777-K780 WeakPolarHBondContact OD2-CE 3.25Å; D777-K780 WeakPolarHBondContact OD2-CG 3.36Å; D777-K780 IonicContact OD2-NZ 2.69Å; D777-K780 PolarHBondContact OD2-NZ 2.94Å; K780-T782 HydrophobicContact CB-CG2 4.32Å; K780-T782 WeakPolarHBondContact CB-OG1 3.4Å; K780-T782 PolarHBondContact O-N 2.72Å
781	L	90.2	Very high	85.9	Confident	42 Å²	42	79.2 Å²	79.2	22%	0.22	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	38.9	-171.1	-61.5	175	0	0	0	112.7	D777 F790 L793 L796	D777-L781 WeakPolarHBondContact O-CA 3.47Å; D777-L781 PolarHBondContact O-N 2.63Å; L781-F790 WeakPolarHBondContact CB-O 3.49Å; L781-F790 PolarHBondContact O-N 3.45Å; L781-L793 HydrophobicContact CD2-CB 4.17Å; L781-L796 HydrophobicContact CD2-CD2 4.3Å
782	T	91.1	Very high	87.4	Confident	29 Å²	29	75.6 Å²	75.6	18%	0.178	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.8	-176.1	44.9	0	0	0	0	113.3	D777 K780 L784 R788 A789	D777-T782 PolarHBondContact N-O 3.27Å; D777-T782 PolarHBondContact O-N 3.14Å; K780-T782 HydrophobicContact CB-CG2 4.32Å; K780-T782 WeakPolarHBondContact CB-OG1 3.4Å; K780-T782 PolarHBondContact O-N 2.72Å; T782-L784 PolarHBondContact O-N 3.32Å; T782-R788 CarbonylContact C-O 3.33Å; T782-R788 VanDerWaalsContact CA-O 3.28Å; T782-R788 WeakPolarHBondContact CA-O 3.45Å; T782-A789 HydrophobicContact CG2-CB 3.6Å
783	C	93.3	Very high	88.6	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105.5	166.8	-178.9	0	0	0	0	109.1	L785 C786 M787 R788 F790 L796 H799 H806	C783-L785 VanDerWaalsContact C-N 3.33Å; C783-C786 HydrophobicContact CB-CB 4.24Å; C783-C786 CarbonylContact O-C 3.57Å; C783-C786 PolarHBondContact O-N 2.87Å; C783-C786 VanDerWaalsContact O-N 3.15Å; C783-M787 PolarHBondContact O-N 3.22Å; C783-R788 PolarHBondContact N-O 3.1Å; C783-R788 PolarHBondContact O-N 3.24Å; C783-F790 HydrophobicContact CB-CE2 3.99Å; C783-L796 HydrophobicContact CB-CD1 4.01Å; C783-H799 WeakPolarHBondContact CB-NE2 3.15Å; C783-H799 PolarHBondContact SG-NE2 3.07Å; C783-H806 PolarHBondContact SG-ND1 3.06Å
784	L	88.5	Confident	89.5	Confident	88 Å²	88	76.4 Å²	76.4	46%	0.461	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-66.5	-38.7	-179.9	-55.5	178.1	0	0	0	110.5	Y775 T782 C786 M787	Y775-L784 WeakPolarHBondContact O-CB 3.06Å; Y775-L784 PolarHBondContact O-N 2.97Å; T782-L784 PolarHBondContact O-N 3.32Å; L784-C786 PolarHBondContact O-N 2.96Å; L784-M787 PolarHBondContact O-N 2.84Å
785	L	89.3	Confident	90	Very high	13 Å²	13	75.1 Å²	75.1	7%	0.068	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-49.8	-21.5	169.6	-112.5	166.6	0	0	0	114.6	Y775 C783 H806 N809 L810 L813	Y775-L785 HydrophobicContact CD1-CG 4.23Å; Y775-L785 HydrophobicContact CD2-CD1 4.13Å; Y775-L785 HydrophobicContact CD2-CG 4.42Å; Y775-L785 HydrophobicContact CG-CD1 3.9Å; Y775-L785 HydrophobicContact CG-CG 3.83Å; Y775-L785 PolarHBondContact O-N 3.19Å; C783-L785 VanDerWaalsContact C-N 3.33Å; L785-H806 VanDerWaalsContact CD1-CE1 3.5Å; L785-H806 WeakPolarHBondContact CD1-CE1 3.48Å; L785-N809 HydrophobicContact CD2-CB 3.71Å; L785-N809 PolarHBondContact O-ND2 2.93Å; L785-L810 HydrophobicContact CD1-CD1 4.43Å; L785-L810 HydrophobicContact CD1-CD2 3.57Å; L785-L810 HydrophobicContact CD1-CG 3.7Å; L785-L810 HydrophobicContact CD2-CG 4.24Å; L785-L813 HydrophobicContact CD2-CD1 3.71Å; L785-L813 HydrophobicContact CG-CD1 4.35Å
786	C	90.3	Very high	90.4	Very high	14 Å²	14	72 Å²	72	10%	0.095	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-129.6	0.2	-175.8	-66.4	0	0	0	0	114.3	C783 L784 R788 H799 L805 H806	C783-C786 HydrophobicContact CB-CB 4.24Å; C783-C786 CarbonylContact O-C 3.57Å; C783-C786 PolarHBondContact O-N 2.87Å; C783-C786 VanDerWaalsContact O-N 3.15Å; L784-C786 PolarHBondContact O-N 2.96Å; C786-R788 VanDerWaalsContact C-N 3.28Å; C786-R788 WeakPolarHBondContact O-CG 3.07Å; C786-R788 PolarHBondContact O-N 2.92Å; C786-H799 WeakPolarHBondContact CB-NE2 3.15Å; C786-H799 PolarHBondContact SG-CE1 3.12Å; C786-H799 PolarHBondContact SG-NE2 3.38Å; C786-H799 VanDerWaalsContact SG-NE2 3.42Å; C786-L805 HydrophobicContact CB-CD2 3.81Å; C786-L805 WeakPolarHBondContact SG-CD2 3.31Å; C786-H806 WeakPolarHBondContact SG-CA 3.2Å; C786-H806 PolarHBondContact SG-ND1 3.44Å
787	M	89.7	Confident	90.5	Very high	167 Å²	167	75.4 Å²	75.4	82%	0.823	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	47.2	-174.7	-61.3	-63.2	-74.6	0	0	113.1	C783 L784	C783-M787 PolarHBondContact O-N 3.22Å; L784-M787 PolarHBondContact O-N 2.84Å
788	R	89	Confident	90.7	Very high	116 Å²	116	79.7 Å²	79.7	44%	0.438	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.4	-177.5	-77.1	174	179.7	-168.1	-2.5	112.2	T782 C783 C786 F790	T782-R788 CarbonylContact C-O 3.33Å; T782-R788 VanDerWaalsContact CA-O 3.28Å; T782-R788 WeakPolarHBondContact CA-O 3.45Å; C783-R788 PolarHBondContact N-O 3.1Å; C783-R788 PolarHBondContact O-N 3.24Å; C786-R788 VanDerWaalsContact C-N 3.28Å; C786-R788 WeakPolarHBondContact O-CG 3.07Å; C786-R788 PolarHBondContact O-N 2.92Å; R788-F790 HydrophobicContact CB-CE1 4.38Å; R788-F790 HydrophobicContact CB-CE2 3.71Å; R788-F790 HydrophobicContact CB-CZ 3.54Å; R788-F790 HydrophobicContact CG-CZ 4.46Å; R788-F790 WeakPolarHBondContact O-CE2 3.2Å
789	A	91.3	Very high	91	Very high	75 Å²	75	75.4 Å²	75.4	62%	0.62	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	149.7	166.5	0	0	0	0	0	110.7	T782	T782-A789 HydrophobicContact CG2-CB 3.6Å
790	F	93.1	Very high	91.2	Very high	35 Å²	35	68.3 Å²	68.3	15%	0.154	34%	0.343	C	S	.	.			trans	-128.3	152.1	-178.3	-61.6	-79	0	0	0	112	L781 C783 R788 I795 L796 H799	L781-F790 WeakPolarHBondContact CB-O 3.49Å; L781-F790 PolarHBondContact O-N 3.45Å; C783-F790 HydrophobicContact CB-CE2 3.99Å; R788-F790 HydrophobicContact CB-CE1 4.38Å; R788-F790 HydrophobicContact CB-CE2 3.71Å; R788-F790 HydrophobicContact CB-CZ 3.54Å; R788-F790 HydrophobicContact CG-CZ 4.46Å; R788-F790 WeakPolarHBondContact O-CE2 3.2Å; F790-I795 HydrophobicContact CB-CB 4.4Å; F790-I795 HydrophobicContact CB-CG2 4.37Å; F790-I795 HydrophobicContact CD1-CG2 3.72Å; F790-I795 HydrophobicContact CG-CG2 4.43Å; F790-L796 HydrophobicContact CB-CB 4.07Å; F790-L796 HydrophobicContact CD2-CB 4.01Å; F790-L796 HydrophobicContact CD2-CD1 3.65Å; F790-L796 HydrophobicContact CD2-CG 4.39Å; F790-L796 HydrophobicContact CE2-CD1 3.9Å; F790-L796 HydrophobicContact CG-CB 4.18Å; F790-H799 HydrophobicContact CD1-CB 4.49Å; F790-H799 HydrophobicContact CE1-CB 3.76Å; F790-H799 AromaticContact CE1-CG 3.87Å; F790-H799 HydrophobicContact CE2-CB 4.18Å; F790-H799 AromaticContact CE2-CD2 3.35Å; F790-H799 WeakPolarHBondContact CE2-CD2 3.47Å; F790-H799 AromaticContact CE2-CG 3.81Å; F790-H799 AromaticContact CE2-NE2 3.95Å; F790-H799 HydrophobicContact CZ-CB 3.59Å; F790-H799 AromaticContact CZ-CD2 3.22Å; F790-H799 WeakPolarHBondContact CZ-CD2 3.32Å; F790-H799 AromaticContact CZ-CG 3.22Å; F790-H799 AromaticContact CZ-ND1 3.74Å; F790-H799 AromaticContact CZ-NE2 3.73Å
791	Q	90.2	Very high	91.3	Very high	184 Å²	184	69 Å²	69	86%	0.86	35%	0.346	S	S	*	.	S	Bend	trans	-82.2	-20.8	-172.1	-63.4	166.6	0.6	0	0	113.4	I795	Q791-I795 HydrophobicContact CB-CD1 4.09Å
792	S	92.9	Very high	91.1	Very high	32 Å²	32	73.4 Å²	73.4	22%	0.224	37%	0.367	C	S	.	.	S	Bend	trans	-147.4	162.7	171.8	85	0	0	0	0	110.8	D794 I795 L796	S792-D794 VanDerWaalsContact C-N 3.26Å; S792-D794 PolarHBondContact O-N 3.24Å; S792-D794 PolarHBondContact OG-N 3.08Å; S792-D794 PolarHBondContact OG-OD2 3.3Å; S792-I795 PolarHBondContact O-N 3.32Å; S792-I795 PolarHBondContact OG-N 2.88Å; S792-L796 PolarHBondContact O-N 3.46Å; S792-L796 VanDerWaalsContact O-N 3.14Å
793	L	91.7	Very high	91.1	Very high	82 Å²	82	73.1 Å²	73.1	43%	0.429	37%	0.366	S	S	.	.	H	α-helix	trans	-58.1	-37.5	174.1	-173.3	152	0	0	0	111.7	L781 I795 L796 Q797	L781-L793 HydrophobicContact CD2-CB 4.17Å; L793-I795 VanDerWaalsContact C-N 3.32Å; L793-I795 PolarHBondContact O-N 3.01Å; L793-L796 PolarHBondContact O-N 3.33Å; L793-Q797 HydrophobicContact CD2-CG 3.93Å; L793-Q797 WeakPolarHBondContact O-CG 3.36Å; L793-Q797 PolarHBondContact O-N 3.01Å
794	D	91.6	Very high	91	Very high	92 Å²	92	79 Å²	79	49%	0.492	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-37.8	177.3	-35.5	-70.1	0	0	0	112.2	S792 K798	S792-D794 VanDerWaalsContact C-N 3.26Å; S792-D794 PolarHBondContact O-N 3.24Å; S792-D794 PolarHBondContact OG-N 3.08Å; S792-D794 PolarHBondContact OG-OD2 3.3Å; D794-K798 WeakPolarHBondContact O-CB 3.3Å; D794-K798 WeakPolarHBondContact O-CD 3.47Å; D794-K798 WeakPolarHBondContact O-CG 3.33Å; D794-K798 PolarHBondContact O-N 2.94Å
795	I	92	Very high	91	Very high	69 Å²	69	77.9 Å²	77.9	35%	0.354	39%	0.392	S	S	.	.	H	α-helix	trans	-73.9	-36.7	-178.9	-57	167.1	0	0	0	109.7	F790 Q791 S792 L793 H799	F790-I795 HydrophobicContact CB-CB 4.4Å; F790-I795 HydrophobicContact CB-CG2 4.37Å; F790-I795 HydrophobicContact CD1-CG2 3.72Å; F790-I795 HydrophobicContact CG-CG2 4.43Å; Q791-I795 HydrophobicContact CB-CD1 4.09Å; S792-I795 PolarHBondContact O-N 3.32Å; S792-I795 PolarHBondContact OG-N 2.88Å; L793-I795 VanDerWaalsContact C-N 3.32Å; L793-I795 PolarHBondContact O-N 3.01Å; I795-H799 WeakPolarHBondContact O-CB 3.17Å; I795-H799 PolarHBondContact O-N 3.18Å
796	L	93	Very high	91.2	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-62.7	-52.4	169.6	173.1	58	0	0	0	111.2	V776 F778 L781 C783 F790 S792 L793 K798 H799 L800	V776-L796 HydrophobicContact CG1-CD1 4.13Å; V776-L796 HydrophobicContact CG1-CD2 3.89Å; V776-L796 HydrophobicContact CG1-CG 4.34Å; F778-L796 HydrophobicContact CD1-CD2 4.28Å; L781-L796 HydrophobicContact CD2-CD2 4.3Å; C783-L796 HydrophobicContact CB-CD1 4.01Å; F790-L796 HydrophobicContact CB-CB 4.07Å; F790-L796 HydrophobicContact CD2-CB 4.01Å; F790-L796 HydrophobicContact CD2-CD1 3.65Å; F790-L796 HydrophobicContact CD2-CG 4.39Å; F790-L796 HydrophobicContact CE2-CD1 3.9Å; F790-L796 HydrophobicContact CG-CB 4.18Å; S792-L796 PolarHBondContact O-N 3.46Å; S792-L796 VanDerWaalsContact O-N 3.14Å; L793-L796 PolarHBondContact O-N 3.33Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 2.84Å; L796-H799 WeakPolarHBondContact O-CA 3.31Å; L796-H799 WeakPolarHBondContact O-CB 3.31Å; L796-H799 PolarHBondContact O-N 3.43Å; L796-L800 HydrophobicContact CD1-CD1 4.5Å; L796-L800 HydrophobicContact CD1-CD2 4.32Å; L796-L800 HydrophobicContact CD1-CG 4.27Å; L796-L800 WeakPolarHBondContact O-CG 3.39Å; L796-L800 PolarHBondContact O-N 2.93Å
797	Q	91.7	Very high	91.2	Very high	83 Å²	83	81.8 Å²	81.8	39%	0.388	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-40.6	177.7	-75.9	-168.1	-4	0	0	112.7	L793 L800 K801	L793-Q797 HydrophobicContact CD2-CG 3.93Å; L793-Q797 WeakPolarHBondContact O-CG 3.36Å; L793-Q797 PolarHBondContact O-N 3.01Å; Q797-L800 PolarHBondContact O-N 3.13Å; Q797-K801 WeakPolarHBondContact O-CG 3.38Å; Q797-K801 PolarHBondContact O-N 3.28Å
798	K	93.4	Very high	91.2	Very high	125 Å²	125	78.9 Å²	78.9	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-47.8	171.6	-81.1	168.2	-177.2	169.2	0	110.7	D794 L796 L800 K801 M802	D794-K798 WeakPolarHBondContact O-CB 3.3Å; D794-K798 WeakPolarHBondContact O-CD 3.47Å; D794-K798 WeakPolarHBondContact O-CG 3.33Å; D794-K798 PolarHBondContact O-N 2.94Å; L796-K798 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 2.84Å; K798-L800 PolarHBondContact O-N 3.25Å; K798-K801 PolarHBondContact O-N 3.13Å; K798-M802 HydrophobicContact CB-SD 3.74Å; K798-M802 HydrophobicContact CG-SD 4.24Å; K798-M802 WeakPolarHBondContact O-CB 3.29Å; K798-M802 WeakPolarHBondContact O-CG 3.49Å; K798-M802 PolarHBondContact O-N 3.37Å
799	H	93.6	Very high	91.1	Very high	12 Å²	12	75.5 Å²	75.5	6%	0.056	38%	0.382	C	S	.	.	H	α-helix	trans	-56.3	-47	176.4	163.7	65.3	0	0	0	112.9	C783 C786 F790 I795 L796 S803	C783-H799 WeakPolarHBondContact CB-NE2 3.15Å; C783-H799 PolarHBondContact SG-NE2 3.07Å; C786-H799 WeakPolarHBondContact CB-NE2 3.15Å; C786-H799 PolarHBondContact SG-CE1 3.12Å; C786-H799 PolarHBondContact SG-NE2 3.38Å; C786-H799 VanDerWaalsContact SG-NE2 3.42Å; F790-H799 HydrophobicContact CD1-CB 4.49Å; F790-H799 HydrophobicContact CE1-CB 3.76Å; F790-H799 AromaticContact CE1-CG 3.87Å; F790-H799 HydrophobicContact CE2-CB 4.18Å; F790-H799 AromaticContact CE2-CD2 3.35Å; F790-H799 WeakPolarHBondContact CE2-CD2 3.47Å; F790-H799 AromaticContact CE2-CG 3.81Å; F790-H799 AromaticContact CE2-NE2 3.95Å; F790-H799 HydrophobicContact CZ-CB 3.59Å; F790-H799 AromaticContact CZ-CD2 3.22Å; F790-H799 WeakPolarHBondContact CZ-CD2 3.32Å; F790-H799 AromaticContact CZ-CG 3.22Å; F790-H799 AromaticContact CZ-ND1 3.74Å; F790-H799 AromaticContact CZ-NE2 3.73Å; I795-H799 WeakPolarHBondContact O-CB 3.17Å; I795-H799 PolarHBondContact O-N 3.18Å; L796-H799 WeakPolarHBondContact O-CA 3.31Å; L796-H799 WeakPolarHBondContact O-CB 3.31Å; L796-H799 PolarHBondContact O-N 3.43Å; H799-S803 WeakPolarHBondContact ND1-CB 3.35Å; H799-S803 PolarHBondContact ND1-OG 3.39Å; H799-S803 WeakPolarHBondContact O-CB 3.34Å; H799-S803 PolarHBondContact O-N 3.41Å
800	L	91.8	Very high	90.9	Very high	36 Å²	36	72.6 Å²	72.6	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-50.2	177.1	-57.3	174.9	0	0	0	111	V776 L796 Q797 K798 H806	V776-L800 HydrophobicContact CG1-CD1 4.28Å; V776-L800 HydrophobicContact CG2-CD1 4.12Å; V776-L800 HydrophobicContact CG2-CD2 3.63Å; L796-L800 HydrophobicContact CD1-CD1 4.5Å; L796-L800 HydrophobicContact CD1-CD2 4.32Å; L796-L800 HydrophobicContact CD1-CG 4.27Å; L796-L800 WeakPolarHBondContact O-CG 3.39Å; L796-L800 PolarHBondContact O-N 2.93Å; Q797-L800 PolarHBondContact O-N 3.13Å; K798-L800 PolarHBondContact O-N 3.25Å; L800-H806 WeakPolarHBondContact CD2-CE1 3.35Å; L800-H806 WeakPolarHBondContact CD2-NE2 3.34Å; L800-H806 PolarHBondContact O-CD2 3.47Å
801	K	89.8	Confident	90.6	Very high	154 Å²	154	74.4 Å²	74.4	67%	0.67	37%	0.367	S	S	*	.	H	α-helix	trans	-69.3	-37.1	-176.9	-69.3	176	177.8	177.3	0	114	Q797 K798 K807	Q797-K801 WeakPolarHBondContact O-CG 3.38Å; Q797-K801 PolarHBondContact O-N 3.28Å; K798-K801 PolarHBondContact O-N 3.13Å; K801-K807 WeakPolarHBondContact O-CE 3.29Å; K801-K807 PolarHBondContact O-NZ 2.85Å
802	M	86.1	Confident	90.4	Very high	134 Å²	134	70.3 Å²	70.3	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-119.1	-5.6	-165.2	90.4	-157.9	-85.5	0	0	116	K798	K798-M802 HydrophobicContact CB-SD 3.74Å; K798-M802 HydrophobicContact CG-SD 4.24Å; K798-M802 WeakPolarHBondContact O-CB 3.29Å; K798-M802 WeakPolarHBondContact O-CG 3.49Å; K798-M802 PolarHBondContact O-N 3.37Å
803	S	91.8	Very high	89.8	Confident	24 Å²	24	71.3 Å²	71.3	17%	0.168	35%	0.349	C	S	.	.			trans	-90.4	115.4	-176.5	-159	0	0	0	0	112.6	H799 L805 H806 K807	H799-S803 WeakPolarHBondContact ND1-CB 3.35Å; H799-S803 PolarHBondContact ND1-OG 3.39Å; H799-S803 WeakPolarHBondContact O-CB 3.34Å; H799-S803 PolarHBondContact O-N 3.41Å; S803-L805 PolarHBondContact O-N 3.3Å; S803-H806 WeakPolarHBondContact O-CB 3.27Å; S803-H806 PolarHBondContact O-N 3.4Å; S803-K807 PolarHBondContact O-N 3.18Å
804	N	90	Very high	89.3	Confident	123 Å²	123	73.7 Å²	73.7	66%	0.658	36%	0.356	S	S	*	.	H	α-helix	trans	-54.7	-36.8	176	-63	-4.4	0	0	0	112.5	H806 K807 E808	N804-H806 VanDerWaalsContact C-N 3.31Å; N804-H806 PolarHBondContact O-N 2.64Å; N804-K807 PolarHBondContact O-N 3.18Å; N804-E808 WeakPolarHBondContact O-CB 3.49Å; N804-E808 PolarHBondContact O-N 2.74Å
805	L	89.6	Confident	88.6	Confident	65 Å²	65	77.1 Å²	77.1	34%	0.34	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-35.8	177.3	-171.8	155.5	0	0	0	112.4	C786 S803 N809	C786-L805 HydrophobicContact CB-CD2 3.81Å; C786-L805 WeakPolarHBondContact SG-CD2 3.31Å; S803-L805 PolarHBondContact O-N 3.3Å; L805-N809 WeakPolarHBondContact O-CB 3.47Å; L805-N809 VanDerWaalsContact O-CG 3.23Å; L805-N809 PolarHBondContact O-N 2.95Å; L805-N809 VanDerWaalsContact O-N 3.13Å; L805-N809 PolarHBondContact O-OD1 3.08Å
806	H	92.1	Very high	87.1	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-68.8	-47.9	175.9	-175	74.1	0	0	0	111.2	C783 L785 C786 L800 S803 N804 E808 N809 L810	C783-H806 PolarHBondContact SG-ND1 3.06Å; L785-H806 VanDerWaalsContact CD1-CE1 3.5Å; L785-H806 WeakPolarHBondContact CD1-CE1 3.48Å; C786-H806 WeakPolarHBondContact SG-CA 3.2Å; C786-H806 PolarHBondContact SG-ND1 3.44Å; L800-H806 WeakPolarHBondContact CD2-CE1 3.35Å; L800-H806 WeakPolarHBondContact CD2-NE2 3.34Å; L800-H806 PolarHBondContact O-CD2 3.47Å; S803-H806 WeakPolarHBondContact O-CB 3.27Å; S803-H806 PolarHBondContact O-N 3.4Å; N804-H806 VanDerWaalsContact C-N 3.31Å; N804-H806 PolarHBondContact O-N 2.64Å; H806-E808 PolarHBondContact O-N 3.35Å; H806-N809 PolarHBondContact O-N 3.05Å; H806-N809 VanDerWaalsContact O-N 3.12Å; H806-L810 WeakPolarHBondContact NE2-CD1 3.49Å; H806-L810 PolarHBondContact O-N 3.43Å
807	K	90.3	Very high	85.2	Confident	109 Å²	109	83.4 Å²	83.4	47%	0.474	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-48.3	177.3	-63.3	-178.3	-177.7	-179.1	0	111.3	K801 S803 N804 N809 L810 D811	K801-K807 WeakPolarHBondContact O-CE 3.29Å; K801-K807 PolarHBondContact O-NZ 2.85Å; S803-K807 PolarHBondContact O-N 3.18Å; N804-K807 PolarHBondContact O-N 3.18Å; K807-N809 VanDerWaalsContact C-N 3.29Å; K807-N809 PolarHBondContact O-N 2.8Å; K807-L810 PolarHBondContact O-N 2.99Å; K807-D811 WeakPolarHBondContact O-CB 3.41Å; K807-D811 PolarHBondContact O-N 3.45Å
808	E	89.1	Confident	82.9	Confident	106 Å²	106	84.2 Å²	84.2	50%	0.495	42%	0.422	S	S	.	.	H	α-helix	trans	-56.2	-37.7	173.8	-91.1	-168.6	-131.3	0	0	113.9	N804 H806 D811 K812	N804-E808 WeakPolarHBondContact O-CB 3.49Å; N804-E808 PolarHBondContact O-N 2.74Å; H806-E808 PolarHBondContact O-N 3.35Å; E808-D811 PolarHBondContact O-N 2.84Å; E808-K812 VanDerWaalsContact O-CD 3.25Å; E808-K812 WeakPolarHBondContact O-CD 3.37Å; E808-K812 VanDerWaalsContact O-CE 3.26Å; E808-K812 WeakPolarHBondContact O-CE 3.47Å; E808-K812 WeakPolarHBondContact O-CG 3.44Å; E808-K812 PolarHBondContact O-N 3.42Å; E808-K812 VanDerWaalsContact O-N 3.09Å; E808-K812 IonicContact OE2-NZ 2.88Å; E808-K812 PolarHBondContact OE2-NZ 3.09Å
809	N	87.9	Confident	80.8	Confident	44 Å²	44	83.1 Å²	83.1	24%	0.235	43%	0.426	C	S	.	.	H	α-helix	trans	-78.9	-37.4	-177.1	-74.6	2.4	0	0	0	112.1	L785 L805 H806 K807 D811 K812 L813	L785-N809 HydrophobicContact CD2-CB 3.71Å; L785-N809 PolarHBondContact O-ND2 2.93Å; L805-N809 WeakPolarHBondContact O-CB 3.47Å; L805-N809 VanDerWaalsContact O-CG 3.23Å; L805-N809 PolarHBondContact O-N 2.95Å; L805-N809 VanDerWaalsContact O-N 3.13Å; L805-N809 PolarHBondContact O-OD1 3.08Å; H806-N809 PolarHBondContact O-N 3.05Å; H806-N809 VanDerWaalsContact O-N 3.12Å; K807-N809 VanDerWaalsContact C-N 3.29Å; K807-N809 PolarHBondContact O-N 2.8Å; N809-D811 VanDerWaalsContact C-N 3.28Å; N809-D811 PolarHBondContact O-N 3.47Å; N809-K812 PolarHBondContact O-N 2.8Å; N809-K812 PolarHBondContact OD1-NZ 3.49Å; N809-L813 PolarHBondContact O-N 3.33Å
810	L	87.9	Confident	78.2	Confident	15 Å²	15	87.7 Å²	87.7	8%	0.079	45%	0.448	C	S	.	.	H	α-helix	trans	-56.6	-44.1	165	-81.4	163.5	0	0	0	111.2	E772 L785 H806 K807 K812 L813 K814	E772-L810 HydrophobicContact CG-CD1 4.36Å; E772-L810 HydrophobicContact CG-CD2 4.04Å; E772-L810 WeakPolarHBondContact OE1-CD1 3.5Å; L785-L810 HydrophobicContact CD1-CD1 4.43Å; L785-L810 HydrophobicContact CD1-CD2 3.57Å; L785-L810 HydrophobicContact CD1-CG 3.7Å; L785-L810 HydrophobicContact CD2-CG 4.24Å; H806-L810 WeakPolarHBondContact NE2-CD1 3.49Å; H806-L810 PolarHBondContact O-N 3.43Å; K807-L810 PolarHBondContact O-N 2.99Å; L810-K812 PolarHBondContact O-N 2.94Å; L810-L813 PolarHBondContact O-N 3.35Å; L810-K814 WeakPolarHBondContact O-CB 3.11Å; L810-K814 WeakPolarHBondContact O-CG 3.42Å; L810-K814 PolarHBondContact O-N 2.88Å
811	D	86.8	Confident	75.7	Confident	73 Å²	73	91.1 Å²	91.1	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-64.8	-25.2	178.2	-115.4	47.6	0	0	0	113.5	K807 E808 N809 R815	K807-D811 WeakPolarHBondContact O-CB 3.41Å; K807-D811 PolarHBondContact O-N 3.45Å; E808-D811 PolarHBondContact O-N 2.84Å; N809-D811 VanDerWaalsContact C-N 3.28Å; N809-D811 PolarHBondContact O-N 3.47Å; D811-R815 VanDerWaalsContact CB-NH1 3.27Å; D811-R815 VanDerWaalsContact O-CG 3.28Å; D811-R815 WeakPolarHBondContact O-CG 3.36Å; D811-R815 PolarHBondContact O-NH1 3.37Å; D811-R815 IonicContact OD2-CZ 3.07Å; D811-R815 VanDerWaalsContact OD2-CZ 3.24Å; D811-R815 IonicContact OD2-NH1 3.11Å; D811-R815 PolarHBondContact OD2-NH1 3.31Å; D811-R815 IonicContact OD2-NH2 2.76Å; D811-R815 PolarHBondContact OD2-NH2 3.2Å
812	K	85.9	Confident	73.1	Confident	98 Å²	98	85.6 Å²	85.6	43%	0.426	47%	0.468	S	S	.	.	H	α-helix	trans	-83.2	-33.3	175.3	-70.2	157.2	-157.7	163.6	0	112	E808 N809 L810 N816	E808-K812 VanDerWaalsContact O-CD 3.25Å; E808-K812 WeakPolarHBondContact O-CD 3.37Å; E808-K812 VanDerWaalsContact O-CE 3.26Å; E808-K812 WeakPolarHBondContact O-CE 3.47Å; E808-K812 WeakPolarHBondContact O-CG 3.44Å; E808-K812 PolarHBondContact O-N 3.42Å; E808-K812 VanDerWaalsContact O-N 3.09Å; E808-K812 IonicContact OE2-NZ 2.88Å; E808-K812 PolarHBondContact OE2-NZ 3.09Å; N809-K812 PolarHBondContact O-N 2.8Å; N809-K812 PolarHBondContact OD1-NZ 3.49Å; L810-K812 PolarHBondContact O-N 2.94Å; K812-N816 PolarHBondContact O-ND2 3.21Å
813	L	79.1	Confident	70.8	Confident	52 Å²	52	86.6 Å²	86.6	27%	0.272	48%	0.481	S	S	.	.	H	α-helix	trans	-69.8	-52.8	172.4	-99.1	157.6	0	0	0	111.5	Y775 L785 N809 L810 R815 N816 E820	Y775-L813 HydrophobicContact CD1-CD1 4.46Å; Y775-L813 HydrophobicContact CE1-CD1 3.96Å; Y775-L813 HydrophobicContact CE2-CD1 4.33Å; L785-L813 HydrophobicContact CD2-CD1 3.71Å; L785-L813 HydrophobicContact CG-CD1 4.35Å; N809-L813 PolarHBondContact O-N 3.33Å; L810-L813 PolarHBondContact O-N 3.35Å; L813-R815 PolarHBondContact O-N 3.43Å; L813-N816 PolarHBondContact O-N 3.39Å; L813-E820 WeakPolarHBondContact CD2-OE1 3.3Å
814	K	82.3	Confident	68.2	Low	132 Å²	132	93 Å²	93	57%	0.574	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20	177.8	-69.3	171.2	-176.9	172	0	113.3	E772 L810	E772-K814 IonicContact OE1-NZ 2.61Å; E772-K814 PolarHBondContact OE1-NZ 2.98Å; L810-K814 WeakPolarHBondContact O-CB 3.11Å; L810-K814 WeakPolarHBondContact O-CG 3.42Å; L810-K814 PolarHBondContact O-N 2.88Å
815	R	76.7	Confident	65.8	Low	165 Å²	165	93.3 Å²	93.3	62%	0.623	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-6.5	173.2	-74.5	-175.5	-173.2	90.1	1	115.3	D811 L813	D811-R815 VanDerWaalsContact CB-NH1 3.27Å; D811-R815 VanDerWaalsContact O-CG 3.28Å; D811-R815 WeakPolarHBondContact O-CG 3.36Å; D811-R815 PolarHBondContact O-NH1 3.37Å; D811-R815 IonicContact OD2-CZ 3.07Å; D811-R815 VanDerWaalsContact OD2-CZ 3.24Å; D811-R815 IonicContact OD2-NH1 3.11Å; D811-R815 PolarHBondContact OD2-NH1 3.31Å; D811-R815 IonicContact OD2-NH2 2.76Å; D811-R815 PolarHBondContact OD2-NH2 3.2Å; L813-R815 PolarHBondContact O-N 3.43Å
816	N	60.4	Low	63.5	Low	94 Å²	94	93.9 Å²	93.9	50%	0.503	53%	0.533	S	S	.	.			trans	-125.7	53.8	178.6	-72.8	-69.9	0	0	0	113.8	K812 L813 A818 V819	K812-N816 PolarHBondContact O-ND2 3.21Å; L813-N816 PolarHBondContact O-N 3.39Å; N816-A818 PolarHBondContact O-N 2.9Å; N816-V819 HydrophobicContact CB-CG2 4.2Å; N816-V819 PolarHBondContact O-N 3.34Å
817	P	53.6	Low	61.1	Low	107 Å²	107	102 Å²	102	70%	0.695	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	13.2	-179.2	32.6	-38.8	0	0	0	114.9
818	A	43.1	Very low	58.8	Low	99 Å²	99	100.4 Å²	100.4	82%	0.818	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	9	179.5	0	0	0	0	0	113.3	N816	N816-A818 PolarHBondContact O-N 2.9Å
819	V	48.2	Very low	56.9	Low	103 Å²	103	103.6 Å²	103.6	62%	0.624	59%	0.587	S	S	*	*			trans	-124.2	-1.2	-172.6	-163.4	0	0	0	0	112.8	N816 A821	N816-V819 HydrophobicContact CB-CG2 4.2Å; N816-V819 PolarHBondContact O-N 3.34Å; V819-A821 PolarHBondContact O-N 2.86Å
820	E	39.1	Very low	55.4	Low	108 Å²	108	109.6 Å²	109.6	51%	0.505	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	57.8	-178.6	-64.7	-176.7	145.3	0	0	113	Y775 L813	Y775-E820 PolarHBondContact OH-OE1 2.96Å; L813-E820 WeakPolarHBondContact CD2-OE1 3.3Å
821	A	38.9	Very low	54.3	Low	107 Å²	107	111.7 Å²	111.7	88%	0.884	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	16.8	169.2	0	0	0	0	0	112.4	V819	V819-A821 PolarHBondContact O-N 2.86Å
822	G	35.4	Very low	53.7	Low	38 Å²	38	112.2 Å²	112.2	39%	0.392	61%	0.614	S	S	.	*			trans	-139.7	73.8	-169	0	0	0	0	0	114
823	T	37.7	Very low	52.7	Low	155 Å²	155	108.7 Å²	108.7	95%	0.951	60%	0.603	S	S	*	*	S	Bend	trans	-119.2	26.1	172.4	38.5	0	0	0	0	114.2
824	D	38.2	Very low	52.4	Low	158 Å²	158	112.6 Å²	112.6	85%	0.845	62%	0.618	S	S	*	*	S	Bend	trans	-127.5	13.8	153.2	-158.6	24.6	0	0	0	112.5	G826	D824-G826 PolarHBondContact O-N 3Å
825	E	39.6	Very low	52.2	Low	131 Å²	131	109.1 Å²	109.1	61%	0.612	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-74.9	11.8	-179.4	-88.2	-87.1	107	0	0	114	L827 S828	E825-L827 PolarHBondContact O-N 2.85Å; E825-L827 VanDerWaalsContact O-N 3.17Å; E825-S828 WeakPolarHBondContact O-CB 3.42Å; E825-S828 PolarHBondContact O-N 2.9Å; E825-S828 PolarHBondContact O-OG 3.1Å
826	G	41.6	Very low	52	Low	77 Å²	77	105.3 Å²	105.3	79%	0.794	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-67.7	-13.9	-172.4	0	0	0	0	0	115.6	D824	D824-G826 PolarHBondContact O-N 3Å
827	L	41	Very low	52.8	Low	172 Å²	172	108.1 Å²	108.1	90%	0.901	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-107.3	10.1	178.8	-64.3	176.9	0	0	0	113.8	E825 Y829	E825-L827 PolarHBondContact O-N 2.85Å; E825-L827 VanDerWaalsContact O-N 3.17Å; L827-Y829 PolarHBondContact O-N 2.93Å
828	S	43.1	Very low	53.7	Low	75 Å²	75	110 Å²	110	52%	0.524	60%	0.596	S	S	.	*			trans	-61.3	125.1	-177.4	55.1	0	0	0	0	113.2	E825 R830	E825-S828 WeakPolarHBondContact O-CB 3.42Å; E825-S828 PolarHBondContact O-N 2.9Å; E825-S828 PolarHBondContact O-OG 3.1Å; S828-R830 PolarHBondContact O-N 2.77Å
829	Y	48.5	Very low	55	Low	173 Å²	173	112.3 Å²	112.3	68%	0.678	59%	0.588	S	S	*	*			trans	-73.3	99.3	-174.3	-178.7	-91.4	0	0	0	111.8	R53 L827 D831	R53-Y829 PolarHBondContact NH2-OH 2.86Å; L827-Y829 PolarHBondContact O-N 2.93Å; Y829-D831 HydrophobicContact CD1-CB 4.19Å; Y829-D831 HydrophobicContact CE1-CB 4.01Å; Y829-D831 PolarHBondContact O-N 3.38Å; Y829-D831 VanDerWaalsContact O-N 3.08Å
830	R	55.7	Low	55.9	Low	170 Å²	170	115.5 Å²	115.5	64%	0.642	59%	0.59	S	S	*	*			trans	-67.3	108.2	170.7	-170.5	174.1	-177.3	116.7	9.4	110.9	R53 S828 R832 E835	R53-R830 PolarHBondContact NH2-O 3.18Å; S828-R830 PolarHBondContact O-N 2.77Å; R830-R832 VanDerWaalsContact C-N 3.34Å; R830-R832 PolarHBondContact O-N 3.46Å; R830-E835 IonicContact CZ-OE1 2.63Å; R830-E835 IonicContact NE-OE1 2.7Å; R830-E835 PolarHBondContact NE-OE1 2.8Å; R830-E835 IonicContact NH2-OE1 3.33Å; R830-E835 PolarHBondContact NH2-OE1 2.8Å
831	D	66.2	Low	57.1	Low	58 Å²	58	112.7 Å²	112.7	31%	0.31	59%	0.59	S	S	.	*			trans	-73.8	83.1	-175.4	-171.8	15.8	0	0	0	114.3	R53 Y829 A833 K834 E835	R53-D831 IonicContact NH1-OD1 2.62Å; Y829-D831 HydrophobicContact CD1-CB 4.19Å; Y829-D831 HydrophobicContact CE1-CB 4.01Å; Y829-D831 PolarHBondContact O-N 3.38Å; Y829-D831 VanDerWaalsContact O-N 3.08Å; D831-A833 PolarHBondContact O-N 3.25Å; D831-A833 VanDerWaalsContact O-N 3.12Å; D831-A833 WeakPolarHBondContact OD1-CA 3.28Å; D831-A833 WeakPolarHBondContact OD1-CB 3.45Å; D831-A833 PolarHBondContact OD1-N 3.49Å; D831-K834 HydrophobicContact CB-CB 4.27Å; D831-K834 PolarHBondContact O-N 3.33Å; D831-K834 PolarHBondContact OD1-N 2.98Å; D831-K834 WeakPolarHBondContact OD2-CB 3.46Å; D831-K834 PolarHBondContact OD2-N 3.31Å; D831-K834 VanDerWaalsContact OD2-N 3.14Å; D831-E835 PolarHBondContact O-N 3.25Å
832	R	72.8	Confident	58.2	Low	84 Å²	84	115.1 Å²	115.1	32%	0.317	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-1.6	168.9	-117	175.8	-74	160.5	-3.8	114.3	R51 R53 R830 E835 R836	R51-R832 VanDerWaalsContact NH1-CG 3.33Å; R53-R832 VanDerWaalsContact NE-CB 3.35Å; R830-R832 VanDerWaalsContact C-N 3.34Å; R830-R832 PolarHBondContact O-N 3.46Å; R832-E835 WeakPolarHBondContact CG-OE2 3.47Å; R832-R836 WeakPolarHBondContact O-CG 3.37Å; R832-R836 PolarHBondContact O-NE 2.87Å
833	A	64.9	Low	59.1	Low	25 Å²	25	118.5 Å²	118.5	21%	0.207	60%	0.601	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-46.7	169.7	0	0	0	0	0	110.7	R53 D831 E835 R836 R837	R53-A833 VanDerWaalsContact NH1-N 3.13Å; D831-A833 PolarHBondContact O-N 3.25Å; D831-A833 VanDerWaalsContact O-N 3.12Å; D831-A833 WeakPolarHBondContact OD1-CA 3.28Å; D831-A833 WeakPolarHBondContact OD1-CB 3.45Å; D831-A833 PolarHBondContact OD1-N 3.49Å; A833-E835 VanDerWaalsContact C-N 3.34Å; A833-E835 PolarHBondContact O-N 3.46Å; A833-R836 WeakPolarHBondContact O-CA 3.28Å; A833-R836 WeakPolarHBondContact O-CB 3.49Å; A833-R836 PolarHBondContact O-N 2.91Å; A833-R837 PolarHBondContact O-N 2.88Å
834	K	73	Confident	60	Low	134 Å²	134	118.6 Å²	118.6	58%	0.583	60%	0.595	S	S	*	*	H	α-helix	trans	-59.7	-40.8	168.5	-175.6	173.5	-178.6	179.7	0	112.4	D831 R836 R837 L838	D831-K834 HydrophobicContact CB-CB 4.27Å; D831-K834 PolarHBondContact O-N 3.33Å; D831-K834 PolarHBondContact OD1-N 2.98Å; D831-K834 WeakPolarHBondContact OD2-CB 3.46Å; D831-K834 PolarHBondContact OD2-N 3.31Å; D831-K834 VanDerWaalsContact OD2-N 3.14Å; K834-R836 PolarHBondContact O-N 3.27Å; K834-R837 PolarHBondContact O-N 3.34Å; K834-L838 HydrophobicContact CG-CD1 4.24Å; K834-L838 WeakPolarHBondContact O-CG 3.34Å; K834-L838 PolarHBondContact O-N 3.25Å
835	E	78.1	Confident	61.3	Low	58 Å²	58	116 Å²	116	27%	0.271	59%	0.587	S	S	.	*	H	α-helix	trans	-58.3	-30.5	170.8	-69.4	-172.6	162.2	0	0	112.7	R51 R830 D831 R832 A833 K839	R51-E835 IonicContact CZ-OE2 2.77Å; R51-E835 IonicContact NH1-OE2 3.17Å; R51-E835 PolarHBondContact NH1-OE2 2.84Å; R51-E835 IonicContact NH2-OE2 2.61Å; R51-E835 PolarHBondContact NH2-OE2 3.44Å; R830-E835 IonicContact CZ-OE1 2.63Å; R830-E835 IonicContact NE-OE1 2.7Å; R830-E835 PolarHBondContact NE-OE1 2.8Å; R830-E835 IonicContact NH2-OE1 3.33Å; R830-E835 PolarHBondContact NH2-OE1 2.8Å; D831-E835 PolarHBondContact O-N 3.25Å; R832-E835 WeakPolarHBondContact CG-OE2 3.47Å; A833-E835 VanDerWaalsContact C-N 3.34Å; A833-E835 PolarHBondContact O-N 3.46Å; E835-K839 VanDerWaalsContact O-CB 3.32Å; E835-K839 WeakPolarHBondContact O-CB 3.45Å
836	R	73.5	Confident	62.2	Low	85 Å²	85	115.4 Å²	115.4	32%	0.321	59%	0.594	S	S	.	*	H	α-helix	trans	-80.7	-45.6	177.8	-85.6	-169.4	-68.1	-170.6	17.8	113.3	E52 R832 A833 K834 L838 K839 Y840	E52-R836 WeakPolarHBondContact OE1-CD 3.48Å; E52-R836 IonicContact OE1-NE 3.52Å; E52-R836 WeakPolarHBondContact OE2-CD 3.32Å; E52-R836 IonicContact OE2-CZ 3.31Å; E52-R836 IonicContact OE2-NE 3.73Å; E52-R836 IonicContact OE2-NH1 2.7Å; E52-R836 PolarHBondContact OE2-NH1 2.95Å; R832-R836 WeakPolarHBondContact O-CG 3.37Å; R832-R836 PolarHBondContact O-NE 2.87Å; A833-R836 WeakPolarHBondContact O-CA 3.28Å; A833-R836 WeakPolarHBondContact O-CB 3.49Å; A833-R836 PolarHBondContact O-N 2.91Å; K834-R836 PolarHBondContact O-N 3.27Å; R836-L838 PolarHBondContact O-N 2.83Å; R836-K839 PolarHBondContact O-N 3.24Å; R836-Y840 HydrophobicContact CG-CD2 4.42Å; R836-Y840 PolarHBondContact O-N 3.3Å
837	R	77	Confident	63.3	Low	154 Å²	154	117.4 Å²	117.4	58%	0.581	59%	0.593	S	S	*	*	H	α-helix	trans	-53.7	-42	175.8	-67.7	-176.8	-169.5	150.6	5	110.8	A833 K834 K839 G841 E842	A833-R837 PolarHBondContact O-N 2.88Å; K834-R837 PolarHBondContact O-N 3.34Å; R837-K839 VanDerWaalsContact C-N 3.33Å; R837-K839 PolarHBondContact O-N 3.41Å; R837-G841 PolarHBondContact O-N 2.64Å; R837-E842 IonicContact NE-OE1 3.61Å
838	L	72	Confident	64.4	Low	146 Å²	146	114.6 Å²	114.6	76%	0.764	59%	0.586	S	S	*	*	H	α-helix	trans	-70.5	-18.5	176.5	-74	167	0	0	0	115.1	K834 R836	K834-L838 HydrophobicContact CG-CD1 4.24Å; K834-L838 WeakPolarHBondContact O-CG 3.34Å; K834-L838 PolarHBondContact O-N 3.25Å; R836-L838 PolarHBondContact O-N 2.83Å
839	K	71.4	Confident	64.9	Low	147 Å²	147	116.9 Å²	116.9	64%	0.639	59%	0.592	S	S	*	*	H	α-helix	trans	-110.5	-29.8	-172.6	-171.5	177.7	179.8	-128.4	0	114.5	E835 R836 R837	E835-K839 VanDerWaalsContact O-CB 3.32Å; E835-K839 WeakPolarHBondContact O-CB 3.45Å; R836-K839 PolarHBondContact O-N 3.24Å; R837-K839 VanDerWaalsContact C-N 3.33Å; R837-K839 PolarHBondContact O-N 3.41Å
840	Y	66.2	Low	65.7	Low	171 Å²	171	118.8 Å²	118.8	67%	0.671	60%	0.598	S	S	*	*	H	α-helix	trans	-119.8	0.1	-174.8	-69	-76.4	0	0	0	113.7	R836	R836-Y840 HydrophobicContact CG-CD2 4.42Å; R836-Y840 PolarHBondContact O-N 3.3Å
841	G	64.6	Low	66.4	Low	49 Å²	49	114.4 Å²	114.4	51%	0.505	59%	0.593	S	S	.	*			trans	75.5	175.1	-173.7	0	0	0	0	0	112.8	R837	R837-G841 PolarHBondContact O-N 2.64Å
842	E	61.8	Low	66.8	Low	158 Å²	158	119.5 Å²	119.5	74%	0.738	61%	0.608	S	S	*	*			trans	-99	127.8	169.9	-163.5	132.3	-131	0	0	107.4	R837	R837-E842 IonicContact NE-OE1 3.61Å
843	S	54.6	Low	66.7	Low	109 Å²	109	120.6 Å²	120.6	76%	0.762	62%	0.617	S	S	*	*			trans	-71.6	141.5	175.3	53.4	0	0	0	0	110.1
844	D	55.4	Low	67.2	Low	157 Å²	157	127.1 Å²	127.1	84%	0.84	64%	0.636	S	S	*	*			trans	-45.8	136.5	-168.8	-86.2	-52.7	0	0	0	114.7
845	P	66.5	Low	67.3	Low	103 Å²	103	127 Å²	127	67%	0.669	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-66.9	149.6	179.8	29.1	-35.1	0	0	0	111.4
846	P	58.8	Low	67.3	Low	118 Å²	118	128.8 Å²	128.8	77%	0.766	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-61.5	144.1	174.7	27.4	-34.7	0	0	0	110.8
847	P	63.4	Low	67.4	Low	119 Å²	119	131 Å²	131	77%	0.773	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61	143.5	-172.9	23.3	-33.8	0	0	0	112.5	N849	P847-N849 PolarHBondContact O-N 3.25Å
848	P	64.1	Low	67.4	Low	114 Å²	114	128.1 Å²	128.1	74%	0.74	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-66.3	132	-171.1	25.7	-34.4	0	0	0	112.5	R850	P848-R850 PolarHBondContact O-N 3.5Å
849	N	53.6	Low	67.6	Low	122 Å²	122	124.5 Å²	124.5	65%	0.652	63%	0.632	S	S	*	*			trans	-86.2	101.9	-177.8	-163.3	-6.5	0	0	0	110.6	P847 S851 R852	P847-N849 PolarHBondContact O-N 3.25Å; N849-S851 PolarHBondContact O-N 2.92Å; N849-S851 PolarHBondContact OD1-OG 3.46Å; N849-R852 PolarHBondContact O-N 3.44Å
850	R	65.8	Low	68	Low	213 Å²	213	125 Å²	125	80%	0.804	63%	0.634	S	S	*	*	H	α-helix	trans	-46.9	-25.7	-175.9	-92.7	179.1	155	-171.4	-6.5	115.9	P848 R852	P848-R850 PolarHBondContact O-N 3.5Å; R850-R852 VanDerWaalsContact C-N 3.28Å; R850-R852 PolarHBondContact O-N 3.48Å
851	S	71.5	Confident	68.4	Low	78 Å²	78	120.8 Å²	120.8	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-63.3	-32.8	176.5	52.7	0	0	0	0	113.1	N849 F855	N849-S851 PolarHBondContact O-N 2.92Å; N849-S851 PolarHBondContact OD1-OG 3.46Å; S851-F855 PolarHBondContact O-N 2.94Å
852	R	73.2	Confident	68.5	Low	166 Å²	166	123.3 Å²	123.3	63%	0.626	63%	0.628	S	S	*	*	H	α-helix	trans	-72.2	-44.6	-176.9	-177.7	176	168.9	178.3	-5.9	112.6	N849 R850 R854 F855 E856	N849-R852 PolarHBondContact O-N 3.44Å; R850-R852 VanDerWaalsContact C-N 3.28Å; R850-R852 PolarHBondContact O-N 3.48Å; R852-R854 VanDerWaalsContact C-N 3.29Å; R852-R854 PolarHBondContact O-N 3.04Å; R852-F855 PolarHBondContact O-N 3.04Å; R852-E856 IonicContact CZ-OE1 2.72Å; R852-E856 VanDerWaalsContact CZ-OE1 3.22Å; R852-E856 IonicContact NE-OE1 3.35Å; R852-E856 PolarHBondContact NE-OE1 3.29Å; R852-E856 IonicContact NH2-OE1 2.78Å; R852-E856 PolarHBondContact NH2-OE1 3.37Å; R852-E856 PolarHBondContact O-N 3.46Å
853	E	71.5	Confident	68.6	Low	107 Å²	107	122.2 Å²	122.2	50%	0.5	62%	0.623	S	S	.	*	H	α-helix	trans	-61.5	-38.9	179.3	-64.8	-179.7	118.8	0	0	111.7	F855 E856 Q857	E853-F855 PolarHBondContact O-N 3.24Å; E853-E856 PolarHBondContact O-N 3.01Å; E853-Q857 WeakPolarHBondContact O-CB 3.27Å; E853-Q857 VanDerWaalsContact O-CG 3.3Å; E853-Q857 WeakPolarHBondContact O-CG 3.12Å; E853-Q857 PolarHBondContact O-N 3.08Å
854	R	74.8	Confident	69	Low	162 Å²	162	120 Å²	120	61%	0.611	61%	0.607	S	S	*	*	H	α-helix	trans	-61.3	-44.9	177.4	-169.6	176.8	179.7	-172.8	-2	111.6	R852 Q857 E858	R852-R854 VanDerWaalsContact C-N 3.29Å; R852-R854 PolarHBondContact O-N 3.04Å; R854-Q857 PolarHBondContact O-N 3Å; R854-E858 WeakPolarHBondContact O-CB 3.39Å; R854-E858 PolarHBondContact O-N 2.84Å
855	F	75.3	Confident	69	Low	131 Å²	131	122.6 Å²	122.6	58%	0.575	61%	0.605	S	S	*	*	H	α-helix	trans	-66.2	-40.5	178	-173.1	-107.9	0	0	0	112.6	S851 R852 E853 Q857 E858 I859	S851-F855 PolarHBondContact O-N 2.94Å; R852-F855 PolarHBondContact O-N 3.04Å; E853-F855 PolarHBondContact O-N 3.24Å; F855-Q857 VanDerWaalsContact C-N 3.34Å; F855-Q857 PolarHBondContact O-N 2.68Å; F855-E858 PolarHBondContact O-N 3.08Å; F855-I859 HydrophobicContact CD1-CD1 3.97Å; F855-I859 HydrophobicContact CE1-CD1 3.53Å; F855-I859 HydrophobicContact CE2-CD1 4.47Å; F855-I859 HydrophobicContact CZ-CD1 3.82Å; F855-I859 PolarHBondContact O-N 2.82Å; F855-I859 VanDerWaalsContact O-N 3.1Å
856	E	78	Confident	68.4	Low	96 Å²	96	125.5 Å²	125.5	45%	0.449	61%	0.61	S	S	.	*	H	α-helix	trans	-67.6	-31.9	175.9	-70.5	-179.7	-177.2	0	0	112.4	R852 E853 K860	R852-E856 IonicContact CZ-OE1 2.72Å; R852-E856 VanDerWaalsContact CZ-OE1 3.22Å; R852-E856 IonicContact NE-OE1 3.35Å; R852-E856 PolarHBondContact NE-OE1 3.29Å; R852-E856 IonicContact NH2-OE1 2.78Å; R852-E856 PolarHBondContact NH2-OE1 3.37Å; R852-E856 PolarHBondContact O-N 3.46Å; E853-E856 PolarHBondContact O-N 3.01Å; E856-K860 WeakPolarHBondContact O-CB 3.45Å; E856-K860 PolarHBondContact O-N 2.86Å
857	Q	76.1	Confident	68	Low	131 Å²	131	128.2 Å²	128.2	61%	0.612	61%	0.61	S	S	*	*	H	α-helix	trans	-71.3	-39.2	171.9	-72.7	175.7	12.8	0	0	112.8	E853 R854 F855 K860 T861	E853-Q857 WeakPolarHBondContact O-CB 3.27Å; E853-Q857 VanDerWaalsContact O-CG 3.3Å; E853-Q857 WeakPolarHBondContact O-CG 3.12Å; E853-Q857 PolarHBondContact O-N 3.08Å; R854-Q857 PolarHBondContact O-N 3Å; F855-Q857 VanDerWaalsContact C-N 3.34Å; F855-Q857 PolarHBondContact O-N 2.68Å; Q857-K860 WeakPolarHBondContact O-CB 3.49Å; Q857-K860 PolarHBondContact O-N 3.2Å; Q857-T861 PolarHBondContact O-N 2.74Å; Q857-T861 PolarHBondContact O-OG1 3.24Å
858	E	77.4	Confident	67	Low	94 Å²	94	129.1 Å²	129.1	44%	0.439	61%	0.608	S	S	.	*	H	α-helix	trans	-69	-40.8	-178.1	-171.4	158.2	-133.4	0	0	112.6	R854 F855 K860 T861 L862	R854-E858 WeakPolarHBondContact O-CB 3.39Å; R854-E858 PolarHBondContact O-N 2.84Å; F855-E858 PolarHBondContact O-N 3.08Å; E858-K860 VanDerWaalsContact C-N 3.26Å; E858-K860 PolarHBondContact O-N 3.13Å; E858-T861 PolarHBondContact O-N 2.88Å; E858-T861 PolarHBondContact O-OG1 2.82Å; E858-T861 VanDerWaalsContact O-OG1 3.12Å; E858-L862 WeakPolarHBondContact O-CG 3.27Å; E858-L862 PolarHBondContact O-N 3.4Å; E858-L862 VanDerWaalsContact O-N 3.13Å
859	I	75.6	Confident	65.9	Low	70 Å²	70	127.8 Å²	127.8	36%	0.359	60%	0.601	S	S	.	*	H	α-helix	trans	-60	-39.1	169.7	-70.6	174.1	0	0	0	110.9	F855 L862 Q863	F855-I859 HydrophobicContact CD1-CD1 3.97Å; F855-I859 HydrophobicContact CE1-CD1 3.53Å; F855-I859 HydrophobicContact CE2-CD1 4.47Å; F855-I859 HydrophobicContact CZ-CD1 3.82Å; F855-I859 PolarHBondContact O-N 2.82Å; F855-I859 VanDerWaalsContact O-N 3.1Å; I859-L862 PolarHBondContact O-N 2.96Å; I859-Q863 HydrophobicContact CG2-CG 4.47Å; I859-Q863 WeakPolarHBondContact O-CB 3.45Å; I859-Q863 WeakPolarHBondContact O-CG 3.29Å; I859-Q863 PolarHBondContact O-N 3.01Å
860	K	79.1	Confident	65.1	Low	157 Å²	157	132 Å²	132	68%	0.683	61%	0.614	S	S	*	*	H	α-helix	trans	-70.8	-32.7	-177	-164.3	174.4	-175.9	178.7	0	113.1	E856 Q857 E858 S864	E856-K860 WeakPolarHBondContact O-CB 3.45Å; E856-K860 PolarHBondContact O-N 2.86Å; Q857-K860 WeakPolarHBondContact O-CB 3.49Å; Q857-K860 PolarHBondContact O-N 3.2Å; E858-K860 VanDerWaalsContact C-N 3.26Å; E858-K860 PolarHBondContact O-N 3.13Å; K860-S864 PolarHBondContact O-N 2.9Å
861	T	75	Confident	63.5	Low	82 Å²	82	125.2 Å²	125.2	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-81.2	-26.5	175.6	50.7	0	0	0	0	113.5	Q857 E858 S864 R865	Q857-T861 PolarHBondContact O-N 2.74Å; Q857-T861 PolarHBondContact O-OG1 3.24Å; E858-T861 PolarHBondContact O-N 2.88Å; E858-T861 PolarHBondContact O-OG1 2.82Å; E858-T861 VanDerWaalsContact O-OG1 3.12Å; T861-S864 PolarHBondContact O-OG 3.36Å; T861-S864 VanDerWaalsContact O-OG 3.07Å; T861-R865 PolarHBondContact O-N 3.15Å
862	L	66.5	Low	61.6	Low	103 Å²	103	126.1 Å²	126.1	54%	0.539	62%	0.622	S	S	.	*	H	α-helix	trans	-69.4	-42.1	168.4	-71.6	168.6	0	0	0	111.5	E858 I859 S864 R865 Q866	E858-L862 WeakPolarHBondContact O-CG 3.27Å; E858-L862 PolarHBondContact O-N 3.4Å; E858-L862 VanDerWaalsContact O-N 3.13Å; I859-L862 PolarHBondContact O-N 2.96Å; L862-S864 VanDerWaalsContact C-N 3.32Å; L862-S864 PolarHBondContact O-N 3.34Å; L862-R865 PolarHBondContact O-N 2.86Å; L862-Q866 PolarHBondContact O-N 2.87Å; L862-Q866 VanDerWaalsContact O-N 3.17Å
863	Q	64.3	Low	60	Low	134 Å²	134	123.9 Å²	123.9	63%	0.626	63%	0.628	S	S	*	*	H	α-helix	trans	-68.2	-24.9	177.9	-74.9	178.8	1	0	0	114.3	I859	I859-Q863 HydrophobicContact CG2-CG 4.47Å; I859-Q863 WeakPolarHBondContact O-CB 3.45Å; I859-Q863 WeakPolarHBondContact O-CG 3.29Å; I859-Q863 PolarHBondContact O-N 3.01Å
864	S	62.6	Low	58.4	Low	63 Å²	63	123.3 Å²	123.3	44%	0.441	64%	0.641	S	S	.	*	H	α-helix	trans	-78.3	-44	169.6	58.8	0	0	0	0	111.8	K860 T861 L862 Q866 K867	K860-S864 PolarHBondContact O-N 2.9Å; T861-S864 PolarHBondContact O-OG 3.36Å; T861-S864 VanDerWaalsContact O-OG 3.07Å; L862-S864 VanDerWaalsContact C-N 3.32Å; L862-S864 PolarHBondContact O-N 3.34Å; S864-Q866 VanDerWaalsContact C-N 3.29Å; S864-Q866 PolarHBondContact O-N 3.48Å; S864-K867 VanDerWaalsContact O-CB 3.29Å; S864-K867 WeakPolarHBondContact O-CB 3.43Å; S864-K867 PolarHBondContact O-N 2.58Å
865	R	56.1	Low	56.9	Low	211 Å²	211	120.7 Å²	120.7	80%	0.796	65%	0.654	S	S	*	*	H	α-helix	trans	-63	-28.3	-179.1	-85.2	-176.4	153.3	-172.8	-7.3	115	T861 L862 K867	T861-R865 PolarHBondContact O-N 3.15Å; L862-R865 PolarHBondContact O-N 2.86Å; R865-K867 VanDerWaalsContact C-N 3.25Å; R865-K867 PolarHBondContact O-N 3.28Å
866	Q	54.8	Low	55.7	Low	165 Å²	165	121.6 Å²	121.6	77%	0.771	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-2.2	175.2	-72.3	-175.1	-25.6	0	0	114.2	L862 S864	L862-Q866 PolarHBondContact O-N 2.87Å; L862-Q866 VanDerWaalsContact O-N 3.17Å; S864-Q866 VanDerWaalsContact C-N 3.29Å; S864-Q866 PolarHBondContact O-N 3.48Å
867	K	48.5	Very low	54.6	Low	175 Å²	175	121.1 Å²	121.1	76%	0.761	67%	0.667	S	S	*	*	S	Bend	trans	-90.8	-21.6	-173.4	-158.3	174	-179.9	-174.9	0	114.4	S864 R865	S864-K867 VanDerWaalsContact O-CB 3.29Å; S864-K867 WeakPolarHBondContact O-CB 3.43Å; S864-K867 PolarHBondContact O-N 2.58Å; R865-K867 VanDerWaalsContact C-N 3.25Å; R865-K867 PolarHBondContact O-N 3.28Å
868	D	44	Very low	53.7	Low	138 Å²	138	119.8 Å²	119.8	74%	0.738	66%	0.663	S	S	*	*	S	Bend	trans	-108.5	28.8	-169.5	-56.7	-36.4	0	0	0	113
869	S	39.8	Very low	52.8	Low	85 Å²	85	118.1 Å²	118.1	59%	0.594	66%	0.662	S	S	*	*	S	Bend	trans	-151.5	124.3	179.3	-71	0	0	0	0	112.7
870	F	37	Very low	52.5	Low	211 Å²	211	118.6 Å²	118.6	93%	0.925	67%	0.671	S	S	*	*			trans	63.9	71	174.6	-60.5	-75.9	0	0	0	117.5
871	G	32.3	Very low	52.2	Low	70 Å²	70	116 Å²	116	72%	0.722	67%	0.669	S	S	*	*			trans	-89	170.8	141.8	0	0	0	0	0	111.9
872	A	32.8	Very low	52.2	Low	97 Å²	97	115.8 Å²	115.8	80%	0.802	67%	0.665	S	S	*	*			trans	76.7	155.6	176.2	0	0	0	0	0	118.2
873	T	39.2	Very low	52.8	Low	120 Å²	120	116.6 Å²	116.6	74%	0.736	67%	0.674	S	S	*	*			trans	57.2	89.4	-174.6	59.4	0	0	0	0	113.8
874	A	37	Very low	53.3	Low	94 Å²	94	111.5 Å²	111.5	78%	0.777	66%	0.657	S	S	*	*			cis	71.6	141.9	34.7	0	0	0	0	0	114.8	M876	A874-M876 PolarHBondContact O-N 2.84Å
875	A	43.3	Very low	53.9	Low	108 Å²	108	108.7 Å²	108.7	89%	0.893	64%	0.637	S	S	*	*			trans	-63.7	126	-170.8	0	0	0	0	0	112.7
876	M	50.2	Low	55	Low	150 Å²	150	105.6 Å²	105.6	74%	0.739	63%	0.626	S	S	*	*			trans	-144.5	149.5	172.1	-63.6	-172.4	73	0	0	109.2	A874	A874-M876 PolarHBondContact O-N 2.84Å
877	P	54.8	Low	56.4	Low	86 Å²	86	102.5 Å²	102.5	56%	0.558	61%	0.614	S	S	*	*			trans	-61.3	160.7	165.9	28.4	-34.8	0	0	0	110.7	S879 E895	P877-S879 PolarHBondContact O-N 3.29Å; P877-E895 VanDerWaalsContact CB-OE1 3.29Å; P877-E895 WeakPolarHBondContact CB-OE1 3.37Å
878	I	56.5	Low	58	Low	102 Å²	102	96.9 Å²	96.9	52%	0.523	59%	0.591	S	S	.	*			trans	-63.1	105.3	-178.3	-55.5	178	0	0	0	109.2	N882	I878-N882 HydrophobicContact CG2-CB 3.88Å
879	S	58.8	Low	59.8	Low	59 Å²	59	95 Å²	95	41%	0.413	58%	0.578	S	S	.	*			trans	-56.2	149.5	-174	60.7	0	0	0	0	113	P877 T881 N882 S885	P877-S879 PolarHBondContact O-N 3.29Å; S879-T881 WeakPolarHBondContact CB-OG1 3.35Å; S879-T881 PolarHBondContact O-N 2.89Å; S879-T881 PolarHBondContact OG-OG1 3.05Å; S879-N882 PolarHBondContact O-N 2.96Å; S879-S885 PolarHBondContact O-OG 3.11Å
880	S	68.9	Low	61.9	Low	80 Å²	80	99.6 Å²	99.6	56%	0.559	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-0.1	175.1	57.2	0	0	0	0	114.6	R886	S880-R886 PolarHBondContact O-NE 3.48Å; S880-R886 PolarHBondContact O-NH2 3.18Å
881	T	73.8	Confident	63.7	Low	103 Å²	103	96.8 Å²	96.8	63%	0.632	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-16.8	172.8	53.4	0	0	0	0	113.5	S879	S879-T881 WeakPolarHBondContact CB-OG1 3.35Å; S879-T881 PolarHBondContact O-N 2.89Å; S879-T881 PolarHBondContact OG-OG1 3.05Å
882	N	74.2	Confident	66	Low	78 Å²	78	96.3 Å²	96.3	42%	0.417	57%	0.574	S	S	.	*	S	Bend	trans	-73.5	140.4	178.6	-169.3	-27.5	0	0	0	111.2	I878 S879 G884 S885 R886	I878-N882 HydrophobicContact CG2-CB 3.88Å; S879-N882 PolarHBondContact O-N 2.96Å; N882-G884 PolarHBondContact O-N 3.3Å; N882-G884 PolarHBondContact OD1-N 3.34Å; N882-S885 PolarHBondContact O-N 3.36Å; N882-S885 PolarHBondContact O-OG 3.38Å; N882-R886 PolarHBondContact O-N 2.8Å
883	V	79.1	Confident	68.1	Low	119 Å²	119	94.7 Å²	94.7	72%	0.721	55%	0.547	S	S	*	.	H	α-helix	trans	-60.1	-37	173.8	-178.1	0	0	0	0	110.9	L887	V883-L887 WeakPolarHBondContact O-CB 3.44Å; V883-L887 PolarHBondContact O-N 3.22Å
884	G	75.2	Confident	70.1	Confident	28 Å²	28	91.5 Å²	91.5	29%	0.289	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-41.9	179	0	0	0	0	0	114	N882 L887 M888	N882-G884 PolarHBondContact O-N 3.3Å; N882-G884 PolarHBondContact OD1-N 3.34Å; G884-L887 PolarHBondContact O-N 2.8Å; G884-M888 WeakPolarHBondContact O-CE 3.44Å; G884-M888 WeakPolarHBondContact O-CG 3.37Å; G884-M888 PolarHBondContact O-N 2.7Å
885	S	74.9	Confident	71.8	Confident	3 Å²	3	93.1 Å²	93.1	2%	0.021	52%	0.522	C	S	.	.	H	α-helix	trans	-68.4	-41.3	176.9	53.3	0	0	0	0	111.2	S879 N882 L887 M888 Q889	S879-S885 PolarHBondContact O-OG 3.11Å; N882-S885 PolarHBondContact O-N 3.36Å; N882-S885 PolarHBondContact O-OG 3.38Å; S885-L887 VanDerWaalsContact C-N 3.31Å; S885-L887 PolarHBondContact O-N 2.64Å; S885-M888 PolarHBondContact O-N 3.46Å; S885-Q889 WeakPolarHBondContact O-CB 3.46Å; S885-Q889 VanDerWaalsContact O-CG 3.29Å; S885-Q889 WeakPolarHBondContact O-CG 3.43Å; S885-Q889 PolarHBondContact O-N 2.94Å
886	R	80.3	Confident	73.2	Confident	146 Å²	146	90.7 Å²	90.7	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-62.8	-34.2	172.8	-69.3	179.8	178.2	-167	-3.8	113.2	S880 N882 K890	S880-R886 PolarHBondContact O-NE 3.48Å; S880-R886 PolarHBondContact O-NH2 3.18Å; N882-R886 PolarHBondContact O-N 2.8Å; R886-K890 WeakPolarHBondContact O-CB 3.27Å; R886-K890 WeakPolarHBondContact O-CG 3.09Å; R886-K890 PolarHBondContact O-N 3.22Å; R886-K890 VanDerWaalsContact O-N 3.15Å
887	L	84	Confident	74.4	Confident	100 Å²	100	86.6 Å²	86.6	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-70.5	-46.3	175.6	-175.3	63.8	0	0	0	111.3	V883 G884 S885 K890 M891	V883-L887 WeakPolarHBondContact O-CB 3.44Å; V883-L887 PolarHBondContact O-N 3.22Å; G884-L887 PolarHBondContact O-N 2.8Å; S885-L887 VanDerWaalsContact C-N 3.31Å; S885-L887 PolarHBondContact O-N 2.64Å; L887-K890 PolarHBondContact O-N 3.27Å; L887-M891 HydrophobicContact CD1-CE 4.37Å; L887-M891 WeakPolarHBondContact O-CG 3.34Å; L887-M891 PolarHBondContact O-N 2.9Å; L887-M891 VanDerWaalsContact O-N 3.13Å
888	M	81.9	Confident	75.5	Confident	57 Å²	57	82.7 Å²	82.7	28%	0.281	46%	0.461	S	S	.	.	H	α-helix	trans	-65.1	-40.8	177.9	-72.8	-174.8	-73.3	0	0	112.3	G884 S885 K890 M891 G892 W893 L899	G884-M888 WeakPolarHBondContact O-CE 3.44Å; G884-M888 WeakPolarHBondContact O-CG 3.37Å; G884-M888 PolarHBondContact O-N 2.7Å; S885-M888 PolarHBondContact O-N 3.46Å; M888-K890 VanDerWaalsContact C-N 3.34Å; M888-K890 PolarHBondContact O-N 2.92Å; M888-M891 CarbonylContact O-C 3.58Å; M888-M891 WeakPolarHBondContact O-CA 3.46Å; M888-M891 PolarHBondContact O-N 3.49Å; M888-G892 PolarHBondContact O-N 2.86Å; M888-W893 HydrophobicContact CB-CB 4.12Å; M888-W893 HydrophobicContact CB-CD2 4.24Å; M888-W893 HydrophobicContact CB-CE3 3.86Å; M888-W893 HydrophobicContact CB-CG 4.39Å; M888-W893 WeakPolarHBondContact O-CB 3.4Å; M888-W893 PolarHBondContact O-N 2.92Å; M888-W893 VanDerWaalsContact O-N 3.08Å; M888-L899 HydrophobicContact SD-CD2 4.5Å
889	Q	81.5	Confident	76.4	Confident	98 Å²	98	84.7 Å²	84.7	46%	0.458	47%	0.472	S	S	.	.	H	α-helix	trans	-60.3	-40.8	172.5	-74.5	174	-13.3	0	0	112.4	S885 M891 G892	S885-Q889 WeakPolarHBondContact O-CB 3.46Å; S885-Q889 VanDerWaalsContact O-CG 3.29Å; S885-Q889 WeakPolarHBondContact O-CG 3.43Å; S885-Q889 PolarHBondContact O-N 2.94Å; Q889-M891 PolarHBondContact O-N 3.49Å; Q889-G892 PolarHBondContact O-N 2.59Å; Q889-G892 VanDerWaalsContact O-N 3.16Å
890	K	85	Confident	77.2	Confident	182 Å²	182	83.5 Å²	83.5	79%	0.791	47%	0.469	S	S	*	.	H	α-helix	trans	-66.5	-18.6	173	-81.3	-174.5	172.8	-170.2	0	114.2	R886 L887 M888	R886-K890 WeakPolarHBondContact O-CB 3.27Å; R886-K890 WeakPolarHBondContact O-CG 3.09Å; R886-K890 PolarHBondContact O-N 3.22Å; R886-K890 VanDerWaalsContact O-N 3.15Å; L887-K890 PolarHBondContact O-N 3.27Å; M888-K890 VanDerWaalsContact C-N 3.34Å; M888-K890 PolarHBondContact O-N 2.92Å
891	M	75.1	Confident	77.5	Confident	153 Å²	153	90 Å²	90	75%	0.754	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	12.1	175.3	-63.1	-64.1	179.4	0	0	112.9	L887 M888 Q889	L887-M891 HydrophobicContact CD1-CE 4.37Å; L887-M891 WeakPolarHBondContact O-CG 3.34Å; L887-M891 PolarHBondContact O-N 2.9Å; L887-M891 VanDerWaalsContact O-N 3.13Å; M888-M891 CarbonylContact O-C 3.58Å; M888-M891 WeakPolarHBondContact O-CA 3.46Å; M888-M891 PolarHBondContact O-N 3.49Å; Q889-M891 PolarHBondContact O-N 3.49Å
892	G	78.6	Confident	77.8	Confident	60 Å²	60	92.9 Å²	92.9	62%	0.619	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	6.1	173.2	0	0	0	0	0	116	M888 Q889	M888-G892 PolarHBondContact O-N 2.86Å; Q889-G892 PolarHBondContact O-N 2.59Å; Q889-G892 VanDerWaalsContact O-N 3.16Å
893	W	78.2	Confident	77.7	Confident	62 Å²	62	93.7 Å²	93.7	24%	0.235	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-82.1	126.2	174.7	177.6	85.4	0	0	0	111.1	M888 Q897 L899	M888-W893 HydrophobicContact CB-CB 4.12Å; M888-W893 HydrophobicContact CB-CD2 4.24Å; M888-W893 HydrophobicContact CB-CE3 3.86Å; M888-W893 HydrophobicContact CB-CG 4.39Å; M888-W893 WeakPolarHBondContact O-CB 3.4Å; M888-W893 PolarHBondContact O-N 2.92Å; M888-W893 VanDerWaalsContact O-N 3.08Å; W893-Q897 PolarHBondContact NE1-O 3.04Å; W893-L899 HydrophobicContact CG-CD2 4.48Å
894	S	80.1	Confident	77.4	Confident	54 Å²	54	94.2 Å²	94.2	38%	0.378	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-97.3	154.7	168.1	83	0	0	0	0	111.9	G896 Q897	S894-G896 PolarHBondContact O-N 2.69Å; S894-Q897 WeakPolarHBondContact O-CB 3.26Å; S894-Q897 PolarHBondContact O-N 2.67Å; S894-Q897 VanDerWaalsContact O-N 3.09Å; S894-Q897 VanDerWaalsContact OG-CG 3.3Å; S894-Q897 WeakPolarHBondContact OG-CG 3.42Å; S894-Q897 PolarHBondContact OG-NE2 3.12Å
895	E	74.1	Confident	77.1	Confident	128 Å²	128	95.6 Å²	95.6	60%	0.598	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	133.2	167.9	-168	166.5	-172.4	0	0	109.7	P877	P877-E895 VanDerWaalsContact CB-OE1 3.29Å; P877-E895 WeakPolarHBondContact CB-OE1 3.37Å
896	G	72.6	Confident	76.7	Confident	57 Å²	57	102.4 Å²	102.4	59%	0.588	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-2.1	-174.7	0	0	0	0	0	117	S894 T907	S894-G896 PolarHBondContact O-N 2.69Å; G896-T907 VanDerWaalsContact O-CG2 3.27Å; G896-T907 WeakPolarHBondContact O-CG2 3.45Å
897	Q	75.7	Confident	76.2	Confident	64 Å²	64	100.1 Å²	100.1	30%	0.299	53%	0.532	S	S	.	.			trans	-94.4	148.1	176.1	-73.3	178.2	-7.8	0	0	113.7	W893 S894 N903	W893-Q897 PolarHBondContact NE1-O 3.04Å; S894-Q897 WeakPolarHBondContact O-CB 3.26Å; S894-Q897 PolarHBondContact O-N 2.67Å; S894-Q897 VanDerWaalsContact O-N 3.09Å; S894-Q897 VanDerWaalsContact OG-CG 3.3Å; S894-Q897 WeakPolarHBondContact OG-CG 3.42Å; S894-Q897 PolarHBondContact OG-NE2 3.12Å; Q897-N903 HydrophobicContact CB-CB 4.47Å; Q897-N903 HydrophobicContact CG-CB 4.45Å; Q897-N903 PolarHBondContact NE2-ND2 3.1Å; Q897-N903 PolarHBondContact OE1-ND2 3.36Å
898	G	76.7	Confident	75.3	Confident	4 Å²	4	102.1 Å²	102.1	4%	0.041	54%	0.539	C	S	.	.			trans	-80.9	143.3	173.2	0	0	0	0	0	112.5	G900 N903	G898-G900 PolarHBondContact O-N 3.32Å; G898-G900 VanDerWaalsContact O-N 3.11Å; G898-N903 PolarHBondContact N-O 3.14Å; G898-N903 CarbonylContact O-C 3.55Å; G898-N903 VanDerWaalsContact O-C 3.29Å; G898-N903 WeakPolarHBondContact O-CA 3.28Å
899	L	75.3	Confident	74.5	Confident	144 Å²	144	106.6 Å²	106.6	75%	0.754	56%	0.562	S	S	*	*	S	Bend	trans	-71.7	2.5	-173.8	-75.1	165.7	0	0	0	116.1	M888 W893	M888-L899 HydrophobicContact SD-CD2 4.5Å; W893-L899 HydrophobicContact CG-CD2 4.48Å
900	G	75.8	Confident	73.5	Confident	33 Å²	33	108.1 Å²	108.1	34%	0.34	57%	0.572	S	S	.	*	S	Bend	trans	-81.8	162.5	-179.2	0	0	0	0	0	114.2	G898 K902 N903 Q904	G898-G900 PolarHBondContact O-N 3.32Å; G898-G900 VanDerWaalsContact O-N 3.11Å; G900-K902 PolarHBondContact O-N 2.98Å; G900-N903 WeakPolarHBondContact O-CA 3.47Å; G900-N903 PolarHBondContact O-N 2.92Å; G900-Q904 WeakPolarHBondContact CA-O 3.31Å; G900-Q904 PolarHBondContact N-O 2.87Å
901	K	76.5	Confident	72.4	Confident	218 Å²	218	107.1 Å²	107.1	95%	0.948	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-2.9	-174.8	-170.2	171.1	177.7	178.7	0	116.8
902	K	78.4	Confident	71.4	Confident	163 Å²	163	104.7 Å²	104.7	71%	0.709	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	25	176.3	-65.7	-175.2	176.3	-177.6	0	112.2	G900 Q904	G900-K902 PolarHBondContact O-N 2.98Å; K902-Q904 HydrophobicContact CB-CG 3.94Å; K902-Q904 PolarHBondContact O-N 3.27Å
903	N	72.8	Confident	70.4	Confident	94 Å²	94	105.7 Å²	105.7	50%	0.503	57%	0.566	S	S	.	*	S	Bend	trans	57.1	21.9	-167.4	-58.3	3.5	0	0	0	113.6	Q897 G898 G900	Q897-N903 HydrophobicContact CB-CB 4.47Å; Q897-N903 HydrophobicContact CG-CB 4.45Å; Q897-N903 PolarHBondContact NE2-ND2 3.1Å; Q897-N903 PolarHBondContact OE1-ND2 3.36Å; G898-N903 PolarHBondContact N-O 3.14Å; G898-N903 CarbonylContact O-C 3.55Å; G898-N903 VanDerWaalsContact O-C 3.29Å; G898-N903 WeakPolarHBondContact O-CA 3.28Å; G900-N903 WeakPolarHBondContact O-CA 3.47Å; G900-N903 PolarHBondContact O-N 2.92Å
904	Q	72.1	Confident	69.4	Low	130 Å²	130	104.8 Å²	104.8	61%	0.607	58%	0.576	S	S	*	*			trans	-92.4	145.7	-180	-71.1	175.7	-24.5	0	0	110.6	G900 K902	G900-Q904 WeakPolarHBondContact CA-O 3.31Å; G900-Q904 PolarHBondContact N-O 2.87Å; K902-Q904 HydrophobicContact CB-CG 3.94Å; K902-Q904 PolarHBondContact O-N 3.27Å
905	G	69	Low	68.4	Low	58 Å²	58	109.3 Å²	109.3	60%	0.598	59%	0.585	S	S	*	*	S	Bend	trans	148.9	179.8	176.5	0	0	0	0	0	111.9	T907	G905-T907 PolarHBondContact O-N 3.25Å
906	R	66.5	Low	67.9	Low	146 Å²	146	106 Å²	106	55%	0.551	58%	0.576	S	S	*	*			trans	-69.5	120.2	174.3	-158.2	-175	-179	144	0.8	109	E908 I909	R906-E908 VanDerWaalsContact CD-O 3.25Å; R906-E908 WeakPolarHBondContact CD-O 3.42Å; R906-E908 HydrophobicContact CG-CB 4.42Å; R906-E908 VanDerWaalsContact CG-O 3.26Å; R906-E908 WeakPolarHBondContact CG-O 3.47Å; R906-E908 PolarHBondContact NE-O 3.13Å; R906-I909 PolarHBondContact NE-O 3Å; R906-I909 PolarHBondContact NH2-O 3.48Å
907	T	70.8	Confident	67.6	Low	98 Å²	98	111.1 Å²	111.1	60%	0.601	59%	0.59	S	S	*	*			trans	-83	-21.6	173.3	46.2	0	0	0	0	112.2	G896 G905	G896-T907 VanDerWaalsContact O-CG2 3.27Å; G896-T907 WeakPolarHBondContact O-CG2 3.45Å; G905-T907 PolarHBondContact O-N 3.25Å
908	E	64.6	Low	67.1	Low	142 Å²	142	115.6 Å²	115.6	66%	0.664	62%	0.616	S	S	*	*	S	Bend	trans	-93.7	155.6	178.2	-62.4	172.5	162.9	0	0	112	R906	R906-E908 VanDerWaalsContact CD-O 3.25Å; R906-E908 WeakPolarHBondContact CD-O 3.42Å; R906-E908 HydrophobicContact CG-CB 4.42Å; R906-E908 VanDerWaalsContact CG-O 3.26Å; R906-E908 WeakPolarHBondContact CG-O 3.47Å; R906-E908 PolarHBondContact NE-O 3.13Å
909	I	64.5	Low	66.6	Low	150 Å²	150	117.7 Å²	117.7	77%	0.769	63%	0.627	S	S	*	*			trans	-66.9	147	175	-60.1	175.4	0	0	0	109.6	R906 E911	R906-I909 PolarHBondContact NE-O 3Å; R906-I909 PolarHBondContact NH2-O 3.48Å; I909-E911 PolarHBondContact O-N 2.92Å; I909-E911 VanDerWaalsContact O-N 3.16Å
910	I	61.3	Low	66	Low	130 Å²	130	113.3 Å²	113.3	67%	0.667	62%	0.617	S	S	*	*			trans	-74.7	104.5	172.6	-56.5	-179.7	0	0	0	108.4	A912	I910-A912 PolarHBondContact O-N 3.39Å
911	E	61.8	Low	65.5	Low	162 Å²	162	119.8 Å²	119.8	76%	0.757	64%	0.643	S	S	*	*			trans	-64.3	126.2	172	-59.9	-168.1	137.3	0	0	110.6	I909 D913	I909-E911 PolarHBondContact O-N 2.92Å; I909-E911 VanDerWaalsContact O-N 3.16Å; E911-D913 PolarHBondContact O-N 3.33Å
912	A	54.9	Low	64.9	Low	102 Å²	102	113 Å²	113	84%	0.843	64%	0.635	S	S	*	*			trans	-89.2	86.6	-178.7	0	0	0	0	0	110.5	I910 G914	I910-A912 PolarHBondContact O-N 3.39Å; A912-G914 PolarHBondContact O-N 3.31Å
913	D	57.8	Low	63.9	Low	80 Å²	80	109 Å²	109	43%	0.428	62%	0.621	S	S	.	*			trans	-69.5	108.8	-175.7	-165.5	14.8	0	0	0	112	E911 R915 H927	E911-D913 PolarHBondContact O-N 3.33Å; D913-R915 PolarHBondContact O-N 2.86Å; D913-H927 IonicContact OD1-CE1 3.05Å; D913-H927 IonicContact OD1-ND1 3.16Å; D913-H927 PolarHBondContact OD1-ND1 3.4Å; D913-H927 VanDerWaalsContact OD1-ND1 3.11Å; D913-H927 IonicContact OD2-CE1 3.49Å; D913-H927 PolarHBondContact OD2-CE1 3.22Å; D913-H927 IonicContact OD2-ND1 2.68Å; D913-H927 PolarHBondContact OD2-ND1 3.31Å; D913-H927 VanDerWaalsContact OD2-ND1 3.16Å
914	G	56.5	Low	63.3	Low	44 Å²	44	111 Å²	111	45%	0.454	63%	0.632	S	S	.	*			trans	-83.1	90.4	-168.2	0	0	0	0	0	113.9	A912	A912-G914 PolarHBondContact O-N 3.31Å
915	R	58.4	Low	62.6	Low	148 Å²	148	110.6 Å²	110.6	56%	0.558	64%	0.639	S	S	*	*			trans	-71.4	143.9	170.5	-67	-171.3	175.8	97.9	3.1	111.9	D913	D913-R915 PolarHBondContact O-N 2.86Å
916	S	64.6	Low	61.9	Low	60 Å²	60	109.2 Å²	109.2	42%	0.42	62%	0.624	S	S	.	*			trans	-76.8	146.3	171	60.3	0	0	0	0	111.4	N918 V919	S916-N918 PolarHBondContact O-N 3.44Å; S916-V919 PolarHBondContact O-N 3.38Å; S916-V919 WeakPolarHBondContact OG-CG2 3.2Å
917	N	64.8	Low	61.2	Low	164 Å²	164	108.9 Å²	108.9	88%	0.877	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-5.1	-167.1	-63	2.4	0	0	0	116.7
918	N	66.5	Low	60.4	Low	158 Å²	158	107.8 Å²	107.8	85%	0.845	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	6.4	-171.7	-59.6	-9.5	0	0	0	113.5	S916	S916-N918 PolarHBondContact O-N 3.44Å
919	V	65.8	Low	60	Low	47 Å²	47	104.2 Å²	104.2	29%	0.285	61%	0.612	S	S	.	*			trans	-105.6	119.3	-175.7	-178	0	0	0	0	111	S916 N923	S916-V919 PolarHBondContact O-N 3.38Å; S916-V919 WeakPolarHBondContact OG-CG2 3.2Å; V919-N923 HydrophobicContact CG1-CB 3.92Å
920	G	63.7	Low	59.3	Low	52 Å²	52	102.8 Å²	102.8	54%	0.536	61%	0.613	S	S	.	*			trans	-71.1	161.5	178.8	0	0	0	0	0	114.1	G922 N923	G920-G922 PolarHBondContact O-N 3.01Å; G920-N923 PolarHBondContact O-N 3.05Å
921	L	64.1	Low	59.3	Low	169 Å²	169	100.7 Å²	100.7	89%	0.885	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	3.7	-171.1	-79.2	165.5	0	0	0	117
922	G	63.5	Low	59.5	Low	76 Å²	76	96.8 Å²	96.8	78%	0.784	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	9	179.9	0	0	0	0	0	115.3	G920	G920-G922 PolarHBondContact O-N 3.01Å
923	N	58.1	Low	60.4	Low	78 Å²	78	97.7 Å²	97.7	42%	0.417	60%	0.598	S	S	.	*			trans	-117.8	117.2	-177.7	-175.3	10.5	0	0	0	112.6	V919 G920 T925	V919-N923 HydrophobicContact CG1-CB 3.92Å; G920-N923 PolarHBondContact O-N 3.05Å; N923-T925 PolarHBondContact ND2-OG1 3.44Å; N923-T925 WeakPolarHBondContact OD1-CG2 3.36Å; N923-T925 PolarHBondContact OD1-N 2.77Å; N923-T925 PolarHBondContact OD1-OG1 2.97Å; N923-T925 VanDerWaalsContact OD1-OG1 3.1Å
924	N	59.3	Low	60.7	Low	136 Å²	136	102.6 Å²	102.6	73%	0.727	61%	0.612	S	S	*	*			trans	-89.6	-1	-174.1	-65	-12.6	0	0	0	114.3	G926	N924-G926 PolarHBondContact O-N 3.34Å
925	T	58	Low	61.6	Low	123 Å²	123	109 Å²	109	76%	0.755	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	35	-171.7	67.2	0	0	0	0	114.6	N923	N923-T925 PolarHBondContact ND2-OG1 3.44Å; N923-T925 WeakPolarHBondContact OD1-CG2 3.36Å; N923-T925 PolarHBondContact OD1-N 2.77Å; N923-T925 PolarHBondContact OD1-OG1 2.97Å; N923-T925 VanDerWaalsContact OD1-OG1 3.1Å
926	G	53.7	Low	62.4	Low	28 Å²	28	104.6 Å²	104.6	29%	0.289	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.6	7.7	-159.1	0	0	0	0	0	118.7	N924 M928	N924-G926 PolarHBondContact O-N 3.34Å; G926-M928 PolarHBondContact O-N 2.76Å
927	H	52.6	Low	63.1	Low	140 Å²	140	106.1 Å²	106.1	65%	0.648	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.4	-177.3	-74.1	-68.8	0	0	0	113	D913	D913-H927 IonicContact OD1-CE1 3.05Å; D913-H927 IonicContact OD1-ND1 3.16Å; D913-H927 PolarHBondContact OD1-ND1 3.4Å; D913-H927 VanDerWaalsContact OD1-ND1 3.11Å; D913-H927 IonicContact OD2-CE1 3.49Å; D913-H927 PolarHBondContact OD2-CE1 3.22Å; D913-H927 IonicContact OD2-ND1 2.68Å; D913-H927 PolarHBondContact OD2-ND1 3.31Å; D913-H927 VanDerWaalsContact OD2-ND1 3.16Å
928	M	54.7	Low	63.7	Low	74 Å²	74	101.5 Å²	101.5	37%	0.365	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-99.5	120	169.4	-71.3	-74.1	169.2	0	0	109.1	G926 Y937	G926-M928 PolarHBondContact O-N 2.76Å; M928-Y937 HydrophobicContact CE-CD1 4.12Å; M928-Y937 HydrophobicContact CE-CD2 4.49Å; M928-Y937 HydrophobicContact CE-CE1 3.71Å; M928-Y937 HydrophobicContact CE-CE2 4.12Å; M928-Y937 HydrophobicContact CE-CG 4.5Å; M928-Y937 HydrophobicContact SD-CD1 4.23Å; M928-Y937 HydrophobicContact SD-CD2 3.76Å; M928-Y937 HydrophobicContact SD-CE1 4.22Å; M928-Y937 HydrophobicContact SD-CE2 3.74Å; M928-Y937 HydrophobicContact SD-CG 4.01Å
929	A	56.3	Low	64.5	Low	67 Å²	67	101.8 Å²	101.8	55%	0.554	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-63.6	124.5	177.2	0	0	0	0	0	110.7	N932	A929-N932 PolarHBondContact O-ND2 2.84Å
930	P	49.8	Very low	65.2	Low	121 Å²	121	106.2 Å²	106.2	79%	0.786	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	145.9	-172.1	23.4	-33.6	0	0	0	112.2
931	G	61.4	Low	66	Low	85 Å²	85	106.4 Å²	106.4	88%	0.876	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.7	0.3	-179.7	0	0	0	0	0	116.1
932	N	65.6	Low	66.7	Low	81 Å²	81	104.7 Å²	104.7	43%	0.433	58%	0.577	S	S	.	*			trans	-98.5	111.2	171.3	-70.6	-86	0	0	0	111.5	A929	A929-N932 PolarHBondContact O-ND2 2.84Å
933	D	72.8	Confident	67.8	Low	120 Å²	120	106.6 Å²	106.6	64%	0.642	56%	0.564	S	S	*	*			trans	-52	144.9	167.7	-75.3	-32.3	0	0	0	111.5	K935 S936 Y937	D933-K935 PolarHBondContact O-N 2.95Å; D933-K935 VanDerWaalsContact O-N 3.08Å; D933-S936 CarbonylContact O-C 3.36Å; D933-S936 WeakPolarHBondContact O-CA 3.5Å; D933-S936 WeakPolarHBondContact O-CB 3.17Å; D933-S936 PolarHBondContact O-N 2.84Å; D933-Y937 PolarHBondContact O-N 2.72Å
934	Y	65	Low	69	Low	183 Å²	183	107.7 Å²	107.7	72%	0.718	57%	0.566	S	S	*	*	H	α-helix	trans	-49.4	-38.7	174.7	-180	-109.3	0	0	0	113.1	I938	Y934-I938 HydrophobicContact CD1-CD1 4.13Å; Y934-I938 HydrophobicContact CD2-CD1 4.43Å; Y934-I938 HydrophobicContact CE1-CD1 3.57Å; Y934-I938 HydrophobicContact CE2-CD1 3.91Å; Y934-I938 VanDerWaalsContact CZ-CD1 3.46Å; Y934-I938 WeakPolarHBondContact O-CG1 3.4Å; Y934-I938 PolarHBondContact O-N 3.02Å
935	K	74.3	Confident	70	Confident	179 Å²	179	109.9 Å²	109.9	78%	0.778	56%	0.564	S	S	*	*	H	α-helix	trans	-66.6	-37.3	176	-168.6	176.5	-175.8	178	0	112.7	D933 K939	D933-K935 PolarHBondContact O-N 2.95Å; D933-K935 VanDerWaalsContact O-N 3.08Å; K935-K939 WeakPolarHBondContact O-CB 3.32Å; K935-K939 PolarHBondContact O-N 2.79Å; K935-K939 VanDerWaalsContact O-N 3.11Å
936	S	76.8	Confident	71.2	Confident	56 Å²	56	113 Å²	113	39%	0.392	56%	0.564	S	S	.	*	H	α-helix	trans	-74.1	-41.9	176.9	-60.8	0	0	0	0	111.3	D933 K939 K940	D933-S936 CarbonylContact O-C 3.36Å; D933-S936 WeakPolarHBondContact O-CA 3.5Å; D933-S936 WeakPolarHBondContact O-CB 3.17Å; D933-S936 PolarHBondContact O-N 2.84Å; S936-K939 PolarHBondContact O-N 2.89Å; S936-K940 WeakPolarHBondContact O-CB 3.36Å; S936-K940 PolarHBondContact O-N 2.63Å
937	Y	77.8	Confident	72.7	Confident	92 Å²	92	117.4 Å²	117.4	36%	0.361	58%	0.577	S	S	.	*	H	α-helix	trans	-58.5	-51.2	172.9	176.8	-96.5	0	0	0	111.7	M928 D933 K939 K940 M941	M928-Y937 HydrophobicContact CE-CD1 4.12Å; M928-Y937 HydrophobicContact CE-CD2 4.49Å; M928-Y937 HydrophobicContact CE-CE1 3.71Å; M928-Y937 HydrophobicContact CE-CE2 4.12Å; M928-Y937 HydrophobicContact CE-CG 4.5Å; M928-Y937 HydrophobicContact SD-CD1 4.23Å; M928-Y937 HydrophobicContact SD-CD2 3.76Å; M928-Y937 HydrophobicContact SD-CE1 4.22Å; M928-Y937 HydrophobicContact SD-CE2 3.74Å; M928-Y937 HydrophobicContact SD-CG 4.01Å; D933-Y937 PolarHBondContact O-N 2.72Å; Y937-K939 VanDerWaalsContact C-N 3.34Å; Y937-K939 PolarHBondContact O-N 3.11Å; Y937-K940 PolarHBondContact O-N 2.95Å; Y937-M941 HydrophobicContact CD1-CG 4.48Å; Y937-M941 HydrophobicContact CE1-CG 3.87Å; Y937-M941 HydrophobicContact CE2-CG 4.24Å; Y937-M941 PolarHBondContact O-N 3.17Å
938	I	77.9	Confident	74.1	Confident	66 Å²	66	117 Å²	117	34%	0.338	58%	0.579	S	S	.	*	H	α-helix	trans	-60.3	-42.9	177.3	-74.1	179	0	0	0	111.3	Y934 K940 M941 M942	Y934-I938 HydrophobicContact CD1-CD1 4.13Å; Y934-I938 HydrophobicContact CD2-CD1 4.43Å; Y934-I938 HydrophobicContact CE1-CD1 3.57Å; Y934-I938 HydrophobicContact CE2-CD1 3.91Å; Y934-I938 VanDerWaalsContact CZ-CD1 3.46Å; Y934-I938 WeakPolarHBondContact O-CG1 3.4Å; Y934-I938 PolarHBondContact O-N 3.02Å; I938-K940 VanDerWaalsContact C-N 3.33Å; I938-K940 PolarHBondContact O-N 3.27Å; I938-M941 PolarHBondContact O-N 3.36Å; I938-M942 HydrophobicContact CG2-CG 4.35Å; I938-M942 HydrophobicContact CG2-SD 4.15Å; I938-M942 WeakPolarHBondContact O-CG 3.2Å; I938-M942 PolarHBondContact O-N 2.6Å
939	K	82.4	Confident	74.8	Confident	164 Å²	164	119.9 Å²	119.9	71%	0.713	62%	0.615	S	S	*	*	H	α-helix	trans	-63.7	-37.6	177.5	-167.2	176.9	-178	-175.8	0	112.2	K935 S936 Y937 K943	K935-K939 WeakPolarHBondContact O-CB 3.32Å; K935-K939 PolarHBondContact O-N 2.79Å; K935-K939 VanDerWaalsContact O-N 3.11Å; S936-K939 PolarHBondContact O-N 2.89Å; Y937-K939 VanDerWaalsContact C-N 3.34Å; Y937-K939 PolarHBondContact O-N 3.11Å; K939-K943 WeakPolarHBondContact O-CB 3.34Å; K939-K943 PolarHBondContact O-N 3.07Å
940	K	81.9	Confident	75.7	Confident	140 Å²	140	122.6 Å²	122.6	61%	0.609	62%	0.618	S	S	*	*	H	α-helix	trans	-67.8	-43.8	175.1	-167.4	175.7	-178.7	-178.6	0	111.6	S936 Y937 I938 K943 Q944	S936-K940 WeakPolarHBondContact O-CB 3.36Å; S936-K940 PolarHBondContact O-N 2.63Å; Y937-K940 PolarHBondContact O-N 2.95Å; I938-K940 VanDerWaalsContact C-N 3.33Å; I938-K940 PolarHBondContact O-N 3.27Å; K940-K943 PolarHBondContact O-N 2.81Å; K940-Q944 WeakPolarHBondContact O-CB 3.44Å; K940-Q944 PolarHBondContact O-N 3.3Å
941	M	79.8	Confident	77	Confident	56 Å²	56	122.6 Å²	122.6	28%	0.276	61%	0.609	S	S	.	*	H	α-helix	trans	-62.4	-40.8	173.9	-92.1	-59.7	-50.5	0	0	113.1	Y937 I938 Q944 R945	Y937-M941 HydrophobicContact CD1-CG 4.48Å; Y937-M941 HydrophobicContact CE1-CG 3.87Å; Y937-M941 HydrophobicContact CE2-CG 4.24Å; Y937-M941 PolarHBondContact O-N 3.17Å; I938-M941 PolarHBondContact O-N 3.36Å; M941-Q944 PolarHBondContact O-N 3.27Å; M941-R945 HydrophobicContact CE-CG 4.2Å; M941-R945 WeakPolarHBondContact O-CG 3.48Å; M941-R945 PolarHBondContact O-N 3.28Å
942	M	79.7	Confident	77.9	Confident	133 Å²	133	124.7 Å²	124.7	66%	0.655	60%	0.595	S	S	*	*	H	α-helix	trans	-66.1	-41.4	174.6	-71.4	-175.1	99.4	0	0	111.5	I938 R945 Y946	I938-M942 HydrophobicContact CG2-CG 4.35Å; I938-M942 HydrophobicContact CG2-SD 4.15Å; I938-M942 WeakPolarHBondContact O-CG 3.2Å; I938-M942 PolarHBondContact O-N 2.6Å; M942-R945 PolarHBondContact O-N 2.68Å; M942-Y946 WeakPolarHBondContact O-CB 3.32Å; M942-Y946 PolarHBondContact O-N 2.82Å; M942-Y946 VanDerWaalsContact O-N 3.08Å
943	K	85	Confident	78.6	Confident	116 Å²	116	127.3 Å²	127.3	50%	0.504	60%	0.604	S	S	.	*	H	α-helix	trans	-62.4	-45.4	174.8	-174.1	176.3	178	-75.4	0	111.5	K939 K940 R945 Y946 E947	K939-K943 WeakPolarHBondContact O-CB 3.34Å; K939-K943 PolarHBondContact O-N 3.07Å; K940-K943 PolarHBondContact O-N 2.81Å; K943-R945 PolarHBondContact O-N 3.34Å; K943-Y946 CarbonylContact O-C 3.59Å; K943-Y946 WeakPolarHBondContact O-CA 3.48Å; K943-Y946 WeakPolarHBondContact O-CB 3.07Å; K943-Y946 PolarHBondContact O-N 3.07Å; K943-E947 WeakPolarHBondContact CE-OE1 3.31Å; K943-E947 HydrophobicContact CG-CG 4.49Å; K943-E947 WeakPolarHBondContact CG-OE2 3.45Å; K943-E947 IonicContact NZ-OE1 3.85Å; K943-E947 PolarHBondContact NZ-OE1 3.27Å; K943-E947 IonicContact NZ-OE2 3.88Å; K943-E947 PolarHBondContact NZ-OE2 2.8Å; K943-E947 WeakPolarHBondContact O-CG 3.33Å; K943-E947 PolarHBondContact O-N 3.36Å
944	Q	84	Confident	79	Confident	101 Å²	101	127.8 Å²	127.8	47%	0.472	60%	0.602	S	S	.	*	H	α-helix	trans	-66.5	-33.6	178.5	-168.8	173	4.8	0	0	112.9	K940 M941 Y946 E947 N948	K940-Q944 WeakPolarHBondContact O-CB 3.44Å; K940-Q944 PolarHBondContact O-N 3.3Å; M941-Q944 PolarHBondContact O-N 3.27Å; Q944-Y946 VanDerWaalsContact C-N 3.29Å; Q944-Y946 PolarHBondContact O-N 3.28Å; Q944-E947 PolarHBondContact O-N 2.9Å; Q944-N948 WeakPolarHBondContact O-CB 3.23Å; Q944-N948 VanDerWaalsContact O-CG 3.25Å; Q944-N948 PolarHBondContact O-N 2.74Å; Q944-N948 VanDerWaalsContact O-N 3.17Å; Q944-N948 PolarHBondContact O-OD1 2.76Å
945	R	79.8	Confident	79.9	Confident	182 Å²	182	124.1 Å²	124.1	69%	0.687	59%	0.594	S	S	*	*	H	α-helix	trans	-68.3	-26.4	169.9	-74.6	-178.6	-175.5	-167.2	2.3	113.4	M941 M942 K943 A949	M941-R945 HydrophobicContact CE-CG 4.2Å; M941-R945 WeakPolarHBondContact O-CG 3.48Å; M941-R945 PolarHBondContact O-N 3.28Å; M942-R945 PolarHBondContact O-N 2.68Å; K943-R945 PolarHBondContact O-N 3.34Å; R945-A949 WeakPolarHBondContact O-CB 3.31Å
946	Y	84.5	Confident	80.3	Confident	190 Å²	190	120.1 Å²	120.1	75%	0.745	58%	0.581	S	S	*	*	H	α-helix	trans	-86	-20.6	176.5	-179	-98.4	0	0	0	113	M942 K943 Q944	M942-Y946 WeakPolarHBondContact O-CB 3.32Å; M942-Y946 PolarHBondContact O-N 2.82Å; M942-Y946 VanDerWaalsContact O-N 3.08Å; K943-Y946 CarbonylContact O-C 3.59Å; K943-Y946 WeakPolarHBondContact O-CA 3.48Å; K943-Y946 WeakPolarHBondContact O-CB 3.07Å; K943-Y946 PolarHBondContact O-N 3.07Å; Q944-Y946 VanDerWaalsContact C-N 3.29Å; Q944-Y946 PolarHBondContact O-N 3.28Å
947	E	85.4	Confident	80.6	Confident	120 Å²	120	125.1 Å²	125.1	56%	0.561	60%	0.595	S	S	*	*	H	α-helix	trans	-92.2	-10.2	174.6	-69.9	176.4	137.9	0	0	113	K943 Q944	K943-E947 WeakPolarHBondContact CE-OE1 3.31Å; K943-E947 HydrophobicContact CG-CG 4.49Å; K943-E947 WeakPolarHBondContact CG-OE2 3.45Å; K943-E947 IonicContact NZ-OE1 3.85Å; K943-E947 PolarHBondContact NZ-OE1 3.27Å; K943-E947 IonicContact NZ-OE2 3.88Å; K943-E947 PolarHBondContact NZ-OE2 2.8Å; K943-E947 WeakPolarHBondContact O-CG 3.33Å; K943-E947 PolarHBondContact O-N 3.36Å; Q944-E947 PolarHBondContact O-N 2.9Å
948	N	81.5	Confident	80.8	Confident	130 Å²	130	127.8 Å²	127.8	70%	0.695	62%	0.615	S	S	*	*			trans	-104.1	10.4	175.6	-72.6	14.6	0	0	0	113.1	Q944	Q944-N948 WeakPolarHBondContact O-CB 3.23Å; Q944-N948 VanDerWaalsContact O-CG 3.25Å; Q944-N948 PolarHBondContact O-N 2.74Å; Q944-N948 VanDerWaalsContact O-N 3.17Å; Q944-N948 PolarHBondContact O-OD1 2.76Å
949	A	68	Low	81.1	Confident	136 Å²	136	133.5 Å²	133.5	100%	1.124	64%	0.64	S	S	*	*			trans	-138.4	0	-173.8	0	0	0	0	0	111.6	R945	R945-A949 WeakPolarHBondContact O-CB 3.31Å

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