A0A5K4F9Y7_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9Y7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,067 aa.

						>A0A5K4F9Y7_SCHMA|A0A5K4F9Y7
MQVVDSEINSQESLDDNIVINSTSSSSDDDTFSPIVNSLNSFNLQPKDGDYSKFKKQLECDLRIGSAYHIGTSVNPLFNLSSSCIQNNDGTSTRSRAFIRHPFNLLLAREQGDIGPSSKSRRLRYRASRWTTEGSQRFDGLQIYGCRSKGALYPDAQTFQESVQGSLWAVTRLHLENKFECHRGCVNALNFNSRGNLIASGSDDLKVVVTNWITGEQAWSYRTGHCMNIFHVKFIPESNDLQIVSCACDSEVRLAQLSPTGGLACPTRLLVKHSRACHKLSIPNGEPNIVLSAGADGQVFSTDLRIPKAHKLLWLPFSEFFSIASNPTRPHEFALCGRSESIVRIYDRRKIDKRDPNSGLLHTIGADHLRGDRRSSNENGVVQVNRRLINSCRSRLHSSISSDSDSDSDSDSNHLLNSLSVQLGRRIRAVLNGLRGRARAALLMGNNDDTLRTDPSYNFEVTKYSVTAAVYSAQGDAILLSYNDENIYLFDVNQPSKPYLHKYSGHRNMQTIVGATFFGPNSEYVVSGSDDGYFYLWDRESEGIIQWLHADIDGAVNVIESHPTLPVLASAGLDYDFKIWTPLCPLFAEQDETINHLKYASTKVHSDVLRLRHSRLAKAFFPDITTTINNNNINSNNNNHDTEMESHNQFLSKKSSIGMISSDSSDSSSSSSSSSTSSSTLNDNIYNSSTNNHITTSDDIHQSLTIETKTDNYSITDVNSSHVIGLSRKRRHPNTINGSSLSSNEVYVQKNNEYLHDSCNDMNDIIQEESNTTNIMNSFDCHPSKQPKRSSFCSSNTTTTTISECDVKTIPNNNEQPIPSSTVKQNSCDIIECSSTPNETIKDCQNTKINSTLLNNDKIQPRLPQQFLPFNQIDLQLRVAQNWVNRACESSQIDGLDEANFRILSAIESVTQIRTRRRRGSNSNSNDDNDDHDDIVGDNDDLESNSSSSSSSSQSNHSRSGIDIVRSVLTLGRRGGINGAKRSEETLASRDREEGSNENSSDEGGISSRISSFLAKELRCSHDTSSDSETTSSSSSSSSTSSSSSSSSSSSSSRSSSSSSSSSSTSS
					

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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	27.7	Very low	30	Very low	208 Å²	208	147.7 Å²	147.7	100%	1.025	79%	0.791	S	S	*	*				0	107.9	0	170.7	-179.7	174.9	0	0	105.9
2	Q	27.3	Very low	29.9	Very low	196 Å²	196	150.8 Å²	150.8	92%	0.916	80%	0.796	S	S	*	*			trans	-156.3	62.2	174.9	-158.4	165.1	6.7	0	0	110.1
3	V	31	Very low	30.1	Very low	124 Å²	124	147.2 Å²	147.2	75%	0.752	79%	0.791	S	S	*	*			trans	-151.6	119.3	170.5	174	0	0	0	0	103
4	V	31.3	Very low	30.1	Very low	112 Å²	112	147 Å²	147	68%	0.679	79%	0.789	S	S	*	*			cis	-158.8	165.4	-5.4	79.1	0	0	0	0	111.1
5	D	29.5	Very low	30.2	Very low	134 Å²	134	146.3 Å²	146.3	72%	0.717	79%	0.785	S	S	*	*			trans	65.3	157.3	154.5	-62.7	-27	0	0	0	125.2
6	S	33	Very low	30.4	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	78%	0.78	S	S	*	*			trans	71.7	134.7	157.6	66.8	0	0	0	0	119.1
7	E	28.3	Very low	30.4	Very low	166 Å²	166	144.9 Å²	144.9	78%	0.776	78%	0.777	S	S	*	*			cis	-171	166.1	-26.4	-133	173.3	-169.9	0	0	107.2
8	I	30.8	Very low	30.4	Very low	139 Å²	139	145.2 Å²	145.2	71%	0.713	78%	0.777	S	S	*	*			trans	66.1	133.9	156.9	-66.9	162.4	0	0	0	115.2
9	N	30.8	Very low	30.3	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	77%	0.773	S	S	*	*			cis	-146.8	161.8	6.8	-134.4	-1.2	0	0	0	110.9
10	S	29	Very low	30.3	Very low	95 Å²	95	144.7 Å²	144.7	66%	0.664	78%	0.776	S	S	*	*			trans	-88.6	135.1	159.8	48.9	0	0	0	0	110.6
11	Q	31.1	Very low	30.1	Very low	197 Å²	197	144.2 Å²	144.2	92%	0.921	77%	0.774	S	S	*	*				-179.5	166.9	129.6	-101.6	174.8	-33.3	0	0	112
12	E	29.4	Very low	30.1	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	76%	0.759	S	S	*	*			trans	-94.4	177.6	-173	-59.9	172.4	110.7	0	0	112.7
13	S	32.2	Very low	30.1	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	75%	0.751	S	S	*	*			trans	78.6	109.4	160.7	67.4	0	0	0	0	120.2
14	L	30.2	Very low	30	Very low	145 Å²	145	134.8 Å²	134.8	76%	0.759	75%	0.75	S	S	*	*				66	112.6	124.8	-61.5	168.6	0	0	0	121.1
15	D	31.2	Very low	29.9	Very low	136 Å²	136	134.7 Å²	134.7	73%	0.727	75%	0.754	S	S	*	*				86.4	148.4	128.2	-57.2	-15.2	0	0	0	122.8
16	D	34.4	Very low	30.1	Very low	134 Å²	134	133.1 Å²	133.1	72%	0.717	75%	0.754	S	S	*	*			trans	66.1	85.8	160.1	-73.6	-28.7	0	0	0	123.4
17	N	30.5	Very low	30.1	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	75%	0.748	S	S	*	*				76.3	150.3	103.6	-90.1	-54.2	0	0	0	123.6
18	I	30.4	Very low	30.3	Very low	149 Å²	149	131.1 Å²	131.1	76%	0.764	75%	0.747	S	S	*	*			trans	82	87.9	159	-61.3	149.7	0	0	0	119.4
19	V	28	Very low	30.5	Very low	116 Å²	116	131.5 Å²	131.5	70%	0.703	75%	0.751	S	S	*	*			trans	-9.9	137.5	134.1	-154.4	0	0	0	0	117.9
20	I	30.6	Very low	30.6	Very low	164 Å²	164	130.9 Å²	130.9	84%	0.841	75%	0.747	S	S	*	*				179.3	140.7	116.9	-88.9	161.9	0	0	0	114.5
21	N	26.4	Very low	30.7	Very low	136 Å²	136	131.5 Å²	131.5	73%	0.727	75%	0.747	S	S	*	*			trans	-54.4	137	-174.6	-68	-22.7	0	0	0	120.1
22	S	26.7	Very low	30.6	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	75%	0.75	S	S	*	*				90.5	159.8	116.3	73.9	0	0	0	0	124.4
23	T	28.4	Very low	30.6	Very low	124 Å²	124	129 Å²	129	76%	0.761	75%	0.745	S	S	*	*			trans	86.6	99.6	161.4	57.2	0	0	0	0	120.9
24	S	27.7	Very low	30.5	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	74%	0.744	S	S	*	*				59.2	120.9	129.5	64.9	0	0	0	0	122.3
25	S	30.5	Very low	30.4	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	75%	0.748	S	S	*	*				146.9	153.2	97.3	59.1	0	0	0	0	115.2
26	S	31.8	Very low	30.3	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	75%	0.748	S	S	*	*			trans	61.1	120.2	156.4	60.9	0	0	0	0	122.6
27	S	33.5	Very low	30.1	Very low	90 Å²	90	129.8 Å²	129.8	63%	0.629	75%	0.75	S	S	*	*				86.7	104.9	121.3	64.2	0	0	0	0	122.4
28	D	33.6	Very low	30	Very low	141 Å²	141	128.3 Å²	128.3	75%	0.754	75%	0.75	S	S	*	*				96.1	130.6	121.9	-53.8	-10.1	0	0	0	121.6
29	D	33.9	Very low	30	Very low	147 Å²	147	128.6 Å²	128.6	79%	0.786	75%	0.752	S	S	*	*			trans	63.9	140.9	152.7	-57.4	-12.4	0	0	0	120.5
30	D	33	Very low	30	Very low	133 Å²	133	130.1 Å²	130.1	71%	0.711	76%	0.757	S	S	*	*			cis	-155.5	165.1	1.8	-147.8	-16.8	0	0	0	114.3
31	T	31.8	Very low	29.9	Very low	108 Å²	108	126.8 Å²	126.8	66%	0.663	75%	0.747	S	S	*	*			trans	54.8	97.4	157.9	54.6	0	0	0	0	121.4
32	F	28.9	Very low	30	Very low	223 Å²	223	129.3 Å²	129.3	98%	0.978	75%	0.752	S	S	*	*				-162.6	139.4	128.2	-110.3	-72.3	0	0	0	110.6
33	S	29	Very low	29.9	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	76%	0.757	S	S	*	*			trans	-164.3	175.5	-169	74.2	0	0	0	0	112.3
34	P	30.6	Very low	30	Very low	109 Å²	109	133.3 Å²	133.3	71%	0.708	76%	0.761	S	S	*	*			cis	-133.9	130.2	-24.8	28.4	-8.5	0	0	0	113.9
35	I	28.3	Very low	30.2	Very low	166 Å²	166	136.6 Å²	136.6	85%	0.851	76%	0.764	S	S	*	*	S	Bend	trans	-130.1	-21.7	166.4	-69.2	-176.4	0	0	0	113.9	N37	I35-N37 PolarHBondContact O-N 2.83Å
36	V	29.5	Very low	30.4	Very low	120 Å²	120	135.8 Å²	135.8	73%	0.727	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-79.5	-22.7	-164.4	179.7	0	0	0	0	115.1	S38	V36-S38 PolarHBondContact O-N 3.16Å
37	N	28.3	Very low	30.7	Very low	140 Å²	140	138.9 Å²	138.9	75%	0.749	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-90.9	12	-162.4	-73.6	-4.5	0	0	0	117	I35	I35-N37 PolarHBondContact O-N 2.83Å
38	S	30.3	Very low	31.1	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-91.5	1.8	-179.5	-164.4	0	0	0	0	115.3	V36	V36-S38 PolarHBondContact O-N 3.16Å
39	L	30	Very low	31.5	Very low	155 Å²	155	137 Å²	137	81%	0.812	75%	0.751	S	S	*	*	S	Bend	trans	-110	-3.8	-170.9	-78.5	165.4	0	0	0	115.5	S41	L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 2.9Å
40	N	28.1	Very low	31.9	Very low	148 Å²	148	134 Å²	134	79%	0.791	74%	0.735	S	S	*	*			trans	-89.2	29.2	-173.9	-72.4	-11.6	0	0	0	114.5
41	S	28.5	Very low	32.3	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	73%	0.73	S	S	*	*			trans	-123.8	27.9	-175.7	75.3	0	0	0	0	115.3	L39	L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 2.9Å
42	F	27.3	Very low	32.9	Very low	189 Å²	189	132.8 Å²	132.8	83%	0.829	72%	0.718	S	S	*	*			trans	-132.8	86.4	166.2	-82.8	-77.6	0	0	0	110.8	L44	F42-L44 PolarHBondContact O-N 2.92Å
43	N	26	Very low	33.8	Very low	152 Å²	152	129.4 Å²	129.4	81%	0.813	70%	0.703	S	S	*	*			trans	-75.6	85.6	176.9	-100.9	-23.1	0	0	0	111.3
44	L	30.3	Very low	34.4	Very low	158 Å²	158	130.3 Å²	130.3	83%	0.827	69%	0.693	S	S	*	*			trans	-126.2	80.9	160.3	-77.1	171.7	0	0	0	108	F42 P46	F42-L44 PolarHBondContact O-N 2.92Å; L44-P46 WeakPolarHBondContact O-CD 3.49Å
45	Q	31.9	Very low	35	Very low	174 Å²	174	130.1 Å²	130.1	81%	0.813	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-71.9	119.8	169.8	-71.9	-170.1	-12.6	0	0	109
46	P	34.8	Very low	35.9	Very low	91 Å²	91	128.7 Å²	128.7	59%	0.591	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-63.8	149.3	167.3	-14.5	30.1	0	0	0	109.1	L44 D50	L44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-D50 HydrophobicContact CB-CB 4.5Å
47	K	38.1	Very low	36.6	Very low	167 Å²	167	128.4 Å²	128.4	73%	0.726	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-66.1	142.2	170.7	-63.1	170.2	-178.3	169.9	0	108.2	G49 D50	K47-G49 PolarHBondContact O-N 3.12Å; K47-D50 WeakPolarHBondContact O-CB 3.41Å; K47-D50 PolarHBondContact O-N 3.28Å
48	D	40.5	Very low	37.1	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	65%	0.645	S	S	*	*	H	α-helix	trans	-55.6	-29.1	-172.9	-62.1	-70.9	0	0	0	114	D50 S52	D48-D50 VanDerWaalsContact C-N 3.35Å; D48-D50 PolarHBondContact O-N 3.49Å; D48-S52 PolarHBondContact O-N 2.87Å
49	G	41.8	Very low	37.5	Very low	45 Å²	45	125.2 Å²	125.2	46%	0.464	63%	0.631	S	S	.	*	H	α-helix	trans	-58.3	-42.5	172.3	0	0	0	0	0	113.2	K47 S52 K53	K47-G49 PolarHBondContact O-N 3.12Å; G49-S52 PolarHBondContact O-N 3.2Å; G49-S52 PolarHBondContact O-OG 3.01Å; G49-K53 WeakPolarHBondContact O-CB 3.14Å; G49-K53 PolarHBondContact O-N 3.42Å
50	D	43.5	Very low	38	Very low	84 Å²	84	121.8 Å²	121.8	45%	0.449	62%	0.619	S	S	.	*	H	α-helix	trans	-70.8	-39	-176.5	-59.6	-44.2	0	0	0	111.4	P46 K47 D48 S52 K53 F54	P46-D50 HydrophobicContact CB-CB 4.5Å; K47-D50 WeakPolarHBondContact O-CB 3.41Å; K47-D50 PolarHBondContact O-N 3.28Å; D48-D50 VanDerWaalsContact C-N 3.35Å; D48-D50 PolarHBondContact O-N 3.49Å; D50-S52 VanDerWaalsContact C-N 3.31Å; D50-S52 PolarHBondContact O-N 3.3Å; D50-K53 PolarHBondContact O-N 3.3Å; D50-F54 VanDerWaalsContact O-CB 3.31Å; D50-F54 WeakPolarHBondContact O-CB 2.82Å; D50-F54 PolarHBondContact O-N 3.15Å
51	Y	39.9	Very low	38.3	Very low	156 Å²	156	117 Å²	117	61%	0.612	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-40.6	171.6	-173.5	-96	0	0	0	111.3	K53 K55	Y51-K53 VanDerWaalsContact C-N 3.35Å; Y51-K53 PolarHBondContact O-N 3.18Å; Y51-K55 HydrophobicContact CE1-CD 4.46Å; Y51-K55 WeakPolarHBondContact O-CB 3.28Å; Y51-K55 PolarHBondContact O-N 3.44Å
52	S	44.7	Very low	38.7	Very low	58 Å²	58	116.8 Å²	116.8	41%	0.406	59%	0.585	S	S	.	*	H	α-helix	trans	-66.3	-35.4	175.9	88.4	0	0	0	0	113	D48 G49 D50 K56	D48-S52 PolarHBondContact O-N 2.87Å; G49-S52 PolarHBondContact O-N 3.2Å; G49-S52 PolarHBondContact O-OG 3.01Å; D50-S52 VanDerWaalsContact C-N 3.31Å; D50-S52 PolarHBondContact O-N 3.3Å; S52-K56 WeakPolarHBondContact O-CB 3.35Å; S52-K56 WeakPolarHBondContact O-CG 3.26Å; S52-K56 PolarHBondContact O-N 3.36Å
53	K	48.7	Very low	39	Very low	153 Å²	153	115.7 Å²	115.7	67%	0.665	58%	0.575	S	S	*	*	H	α-helix	trans	-72.9	-47.7	-179.9	-163.4	-178.5	-179.4	-167.7	0	110.4	G49 D50 Y51 K56 Q57	G49-K53 WeakPolarHBondContact O-CB 3.14Å; G49-K53 PolarHBondContact O-N 3.42Å; D50-K53 PolarHBondContact O-N 3.3Å; Y51-K53 VanDerWaalsContact C-N 3.35Å; Y51-K53 PolarHBondContact O-N 3.18Å; K53-K56 PolarHBondContact O-N 3.08Å; K53-Q57 PolarHBondContact O-N 3.29Å
54	F	41.4	Very low	39.6	Very low	126 Å²	126	111.5 Å²	111.5	55%	0.553	55%	0.552	S	S	*	*	H	α-helix	trans	-62.2	-44.3	173.7	-176.1	-102.1	0	0	0	111.9	D50 K56 Q57 L58	D50-F54 VanDerWaalsContact O-CB 3.31Å; D50-F54 WeakPolarHBondContact O-CB 2.82Å; D50-F54 PolarHBondContact O-N 3.15Å; F54-K56 PolarHBondContact O-N 2.74Å; F54-Q57 WeakPolarHBondContact O-CB 3.39Å; F54-Q57 PolarHBondContact O-N 3.5Å; F54-L58 HydrophobicContact CE1-CD1 4.12Å; F54-L58 HydrophobicContact CE2-CD1 4.48Å; F54-L58 HydrophobicContact CZ-CD1 3.92Å; F54-L58 WeakPolarHBondContact O-CB 3.32Å; F54-L58 PolarHBondContact O-N 3.17Å
55	K	42.3	Very low	39.5	Very low	104 Å²	104	106 Å²	106	45%	0.452	53%	0.534	S	S	.	.	H	α-helix	trans	-58.8	-46.4	174.6	177.6	175.2	171.2	177.8	0	111.7	Y51 Q57 L58 E59	Y51-K55 HydrophobicContact CE1-CD 4.46Å; Y51-K55 WeakPolarHBondContact O-CB 3.28Å; Y51-K55 PolarHBondContact O-N 3.44Å; K55-Q57 VanDerWaalsContact C-N 3.34Å; K55-Q57 PolarHBondContact O-N 3.49Å; K55-L58 PolarHBondContact O-N 3.47Å; K55-E59 WeakPolarHBondContact CE-OE1 3.33Å; K55-E59 HydrophobicContact CG-CG 4.38Å; K55-E59 IonicContact NZ-OE1 2.71Å; K55-E59 WeakPolarHBondContact O-CB 3.44Å; K55-E59 WeakPolarHBondContact O-CG 3.45Å; K55-E59 PolarHBondContact O-N 3.37Å
56	K	47.5	Very low	39.3	Very low	137 Å²	137	102.7 Å²	102.7	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-38	175.9	-80.4	176	177.4	173	0	112.6	S52 K53 F54 E59 C60	S52-K56 WeakPolarHBondContact O-CB 3.35Å; S52-K56 WeakPolarHBondContact O-CG 3.26Å; S52-K56 PolarHBondContact O-N 3.36Å; K53-K56 PolarHBondContact O-N 3.08Å; F54-K56 PolarHBondContact O-N 2.74Å; K56-E59 PolarHBondContact O-N 2.91Å; K56-C60 WeakPolarHBondContact O-CB 3.45Å; K56-C60 PolarHBondContact O-N 3.19Å; K56-C60 PolarHBondContact O-SG 2.9Å
57	Q	44.9	Very low	39	Very low	114 Å²	114	103 Å²	103	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-62	-49.1	174	-168.3	64.1	40.1	0	0	110.5	K53 F54 K55 E59 C60 D61	K53-Q57 PolarHBondContact O-N 3.29Å; F54-Q57 WeakPolarHBondContact O-CB 3.39Å; F54-Q57 PolarHBondContact O-N 3.5Å; K55-Q57 VanDerWaalsContact C-N 3.34Å; K55-Q57 PolarHBondContact O-N 3.49Å; Q57-E59 PolarHBondContact O-N 3.44Å; Q57-C60 PolarHBondContact O-N 3.22Å; Q57-C60 VanDerWaalsContact O-N 3.16Å; Q57-D61 PolarHBondContact NE2-OD2 2.83Å; Q57-D61 PolarHBondContact O-N 2.94Å
58	L	38.1	Very low	38.5	Very low	84 Å²	84	105 Å²	105	44%	0.44	54%	0.544	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.2	-137.3	83.1	0	0	0	112.2	F54 K55 C60 L62	F54-L58 HydrophobicContact CE1-CD1 4.12Å; F54-L58 HydrophobicContact CE2-CD1 4.48Å; F54-L58 HydrophobicContact CZ-CD1 3.92Å; F54-L58 WeakPolarHBondContact O-CB 3.32Å; F54-L58 PolarHBondContact O-N 3.17Å; K55-L58 PolarHBondContact O-N 3.47Å; L58-C60 VanDerWaalsContact C-N 3.34Å; L58-L62 HydrophobicContact CD2-CD1 3.86Å; L58-L62 HydrophobicContact CG-CD1 3.78Å; L58-L62 HydrophobicContact CG-CG 4.41Å; L58-L62 WeakPolarHBondContact O-CB 3.08Å; L58-L62 VanDerWaalsContact O-CG 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.23Å; L58-L62 PolarHBondContact O-N 2.66Å
59	E	39.4	Very low	38	Very low	93 Å²	93	106.9 Å²	106.9	44%	0.435	55%	0.548	S	S	.	.	H	α-helix	trans	-66	-34	176.2	-75.2	175.2	166.2	0	0	112.3	K55 K56 Q57 R63	K55-E59 WeakPolarHBondContact CE-OE1 3.33Å; K55-E59 HydrophobicContact CG-CG 4.38Å; K55-E59 IonicContact NZ-OE1 2.71Å; K55-E59 WeakPolarHBondContact O-CB 3.44Å; K55-E59 WeakPolarHBondContact O-CG 3.45Å; K55-E59 PolarHBondContact O-N 3.37Å; K56-E59 PolarHBondContact O-N 2.91Å; Q57-E59 PolarHBondContact O-N 3.44Å; E59-R63 VanDerWaalsContact O-CB 3.28Å; E59-R63 WeakPolarHBondContact O-CB 3.15Å; E59-R63 VanDerWaalsContact O-CD 3.26Å; E59-R63 WeakPolarHBondContact O-CD 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.48Å; E59-R63 PolarHBondContact O-N 2.96Å
60	C	40.9	Very low	37.3	Very low	84 Å²	84	111.5 Å²	111.5	57%	0.568	56%	0.561	S	S	*	*	H	α-helix	trans	-72	-44.7	175.2	-77.4	0	0	0	0	112.9	K56 Q57 L58	K56-C60 WeakPolarHBondContact O-CB 3.45Å; K56-C60 PolarHBondContact O-N 3.19Å; K56-C60 PolarHBondContact O-SG 2.9Å; Q57-C60 PolarHBondContact O-N 3.22Å; Q57-C60 VanDerWaalsContact O-N 3.16Å; L58-C60 VanDerWaalsContact C-N 3.34Å
61	D	34.6	Very low	36.5	Very low	47 Å²	47	110.3 Å²	110.3	25%	0.251	57%	0.568	S	S	.	*	H	α-helix	trans	-78.5	-31.7	-179	-72.9	-57.2	0	0	0	112.6	Q57 R172	Q57-D61 PolarHBondContact NE2-OD2 2.83Å; Q57-D61 PolarHBondContact O-N 2.94Å; D61-R172 IonicContact OD1-CZ 3.8Å; D61-R172 IonicContact OD1-NE 3.15Å; D61-R172 IonicContact OD1-NH2 3.12Å; D61-R172 PolarHBondContact OD1-NH2 3.29Å
62	L	36.3	Very low	35.9	Very low	89 Å²	89	108.7 Å²	108.7	47%	0.466	58%	0.575	S	S	.	*	H	α-helix	trans	-81.2	-13.2	176.5	-67.3	172.9	0	0	0	114.8	L58 I64 L616	L58-L62 HydrophobicContact CD2-CD1 3.86Å; L58-L62 HydrophobicContact CG-CD1 3.78Å; L58-L62 HydrophobicContact CG-CG 4.41Å; L58-L62 WeakPolarHBondContact O-CB 3.08Å; L58-L62 VanDerWaalsContact O-CG 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.23Å; L58-L62 PolarHBondContact O-N 2.66Å; L62-I64 PolarHBondContact O-N 3.07Å; L62-L616 HydrophobicContact CD2-CD1 4.41Å
63	R	34.4	Very low	34.9	Very low	165 Å²	165	112 Å²	112	62%	0.623	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-6.1	175	-92.1	171.6	165.7	-121.1	-5.1	113.6	E59 E110	E59-R63 VanDerWaalsContact O-CB 3.28Å; E59-R63 WeakPolarHBondContact O-CB 3.15Å; E59-R63 VanDerWaalsContact O-CD 3.26Å; E59-R63 WeakPolarHBondContact O-CD 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.48Å; E59-R63 PolarHBondContact O-N 2.96Å; R63-E110 IonicContact CZ-OE1 3.73Å; R63-E110 IonicContact NH1-OE1 2.74Å; R63-E110 PolarHBondContact NH1-OE1 3.43Å
64	I	36.8	Very low	33.9	Very low	65 Å²	65	110.4 Å²	110.4	33%	0.333	60%	0.601	S	S	.	*	S	Bend	trans	-101.2	89.2	175.9	-61.8	174.4	0	0	0	108.5	L62 W168	L62-I64 PolarHBondContact O-N 3.07Å; I64-W168 HydrophobicContact CD1-CG 4.27Å; I64-W168 HydrophobicContact CG2-CG 4.36Å
65	G	29.2	Very low	33	Very low	43 Å²	43	111.3 Å²	111.3	44%	0.443	61%	0.611	S	S	.	*	S	Bend	trans	105.5	64	172	0	0	0	0	0	115.6	F159	G65-F159 WeakPolarHBondContact O-CE2 3.13Å
66	S	26.8	Very low	32.4	Very low	103 Å²	103	112.6 Å²	112.6	72%	0.72	63%	0.63	S	S	*	*			trans	-137.8	84.7	158.8	44.5	0	0	0	0	111.3
67	A	29.5	Very low	31.4	Very low	99 Å²	99	112.7 Å²	112.7	82%	0.818	64%	0.637	S	S	*	*			trans	-113.9	72.8	170.7	0	0	0	0	0	109.5	H69	A67-H69 PolarHBondContact O-N 2.89Å; A67-H69 VanDerWaalsContact O-N 3.08Å
68	Y	27	Very low	30.5	Very low	207 Å²	207	115.6 Å²	115.6	81%	0.812	65%	0.648	S	S	*	*			trans	-63	106	161.4	-110.8	-114.9	0	0	0	107.2	I70	Y68-I70 HydrophobicContact CD1-CD1 4.39Å; Y68-I70 HydrophobicContact CD1-CG1 4.29Å
69	H	31.3	Very low	29.8	Very low	188 Å²	188	118.1 Å²	118.1	87%	0.87	66%	0.662	S	S	*	*			trans	-119.2	94.2	160.3	-130.8	-59.4	0	0	0	110	A67	A67-H69 PolarHBondContact O-N 2.89Å; A67-H69 VanDerWaalsContact O-N 3.08Å
70	I	26.5	Very low	29.2	Very low	143 Å²	143	121.1 Å²	121.1	73%	0.733	68%	0.68	S	S	*	*			trans	-59.2	144	162.8	-60.1	155.1	0	0	0	107.7	Y68	Y68-I70 HydrophobicContact CD1-CD1 4.39Å; Y68-I70 HydrophobicContact CD1-CG1 4.29Å
71	G	25.9	Very low	28.4	Very low	59 Å²	59	121.6 Å²	121.6	61%	0.608	68%	0.684	S	S	*	*			trans	155.1	86.5	170	0	0	0	0	0	115.6
72	T	27	Very low	27.9	Very low	122 Å²	122	124.4 Å²	124.4	75%	0.748	71%	0.708	S	S	*	*			trans	22.3	127.6	137.1	53.7	0	0	0	0	119.9	V74	T72-V74 PolarHBondContact O-N 3.21Å
73	S	24	Very low	27.5	Very low	128 Å²	128	125.6 Å²	125.6	90%	0.895	72%	0.724	S	S	*	*			trans	-57.1	111	164.4	51.7	0	0	0	0	113
74	V	28	Very low	27	Very low	118 Å²	118	124 Å²	124	72%	0.715	74%	0.736	S	S	*	*			trans	-139	125.9	171.4	-172.4	0	0	0	0	109.8	T72 P76	T72-V74 PolarHBondContact O-N 3.21Å; V74-P76 WeakPolarHBondContact O-CD 3.47Å
75	N	23.7	Very low	26.7	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	76%	0.756	S	S	*	*			trans	-81.5	125.9	176.8	-73.9	-33.2	0	0	0	111.4	L77	N75-L77 PolarHBondContact O-N 2.91Å
76	P	29.6	Very low	26.6	Very low	131 Å²	131	133.8 Å²	133.8	85%	0.851	77%	0.772	S	S	*	*			trans	-86.9	84.8	165.6	33.7	-31.2	0	0	0	110.4	V74	V74-P76 WeakPolarHBondContact O-CD 3.47Å
77	L	24.9	Very low	26.7	Very low	140 Å²	140	135.7 Å²	135.7	73%	0.733	77%	0.774	S	S	*	*			trans	-81.9	142.2	160.9	-77.7	169.3	0	0	0	110	N75	N75-L77 PolarHBondContact O-N 2.91Å
78	F	26.2	Very low	26.7	Very low	175 Å²	175	138.2 Å²	138.2	77%	0.768	77%	0.774	S	S	*	*			trans	15.5	120.2	154.2	-71.4	-95	0	0	0	119.5
79	N	24.2	Very low	26.9	Very low	136 Å²	136	135 Å²	135	73%	0.727	77%	0.77	S	S	*	*				162.5	171.5	97.9	-97	-33.2	0	0	0	113.7
80	L	26	Very low	26.8	Very low	156 Å²	156	130.3 Å²	130.3	82%	0.817	77%	0.774	S	S	*	*			trans	67.6	108.6	167.9	-57	125	0	0	0	115.1
81	S	23.9	Very low	26.9	Very low	94 Å²	94	128.4 Å²	128.4	66%	0.657	77%	0.769	S	S	*	*			cis	99.6	144.4	31.9	79.2	0	0	0	0	114.6
82	S	25	Very low	26.9	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	78%	0.781	S	S	*	*			trans	56.7	104.8	159.4	56.6	0	0	0	0	119.4
83	S	27.5	Very low	26.8	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	78%	0.781	S	S	*	*				-170	86.5	111.8	38.1	0	0	0	0	112
84	C	25.1	Very low	26.9	Very low	131 Å²	131	135.9 Å²	135.9	89%	0.885	78%	0.778	S	S	*	*			trans	-85	110.3	165.5	-65.8	0	0	0	0	109
85	I	29	Very low	26.8	Very low	147 Å²	147	135.9 Å²	135.9	75%	0.754	78%	0.783	S	S	*	*			trans	-85	117.6	169.5	-62.4	177.4	0	0	0	108.1
86	Q	26.8	Very low	26.9	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	79%	0.789	S	S	*	*			trans	-85	116.6	169.7	-70.6	179.7	-28.7	0	0	109.4
87	N	29.4	Very low	26.7	Very low	144 Å²	144	137 Å²	137	77%	0.77	77%	0.773	S	S	*	*			trans	-104.1	121	160.8	-77.8	0.8	0	0	0	108.5	D89	N87-D89 PolarHBondContact O-N 3.24Å; N87-D89 VanDerWaalsContact O-N 3.16Å
88	N	29.5	Very low	26.8	Very low	151 Å²	151	139.8 Å²	139.8	81%	0.807	78%	0.779	S	S	*	*			trans	-84.4	81.9	-176.9	-71.3	-40.5	0	0	0	111.2
89	D	31.1	Very low	26.9	Very low	139 Å²	139	139.3 Å²	139.3	74%	0.743	78%	0.783	S	S	*	*			trans	-136.4	124.6	164.9	-87.9	-56.1	0	0	0	110.4	N87 T91	N87-D89 PolarHBondContact O-N 3.24Å; N87-D89 VanDerWaalsContact O-N 3.16Å; D89-T91 PolarHBondContact O-N 3.02Å
90	G	30.1	Very low	27	Very low	91 Å²	91	144.7 Å²	144.7	94%	0.938	79%	0.793	S	S	*	*			trans	-75.7	41.2	-166.8	0	0	0	0	0	116
91	T	28.6	Very low	27.1	Very low	102 Å²	102	142.8 Å²	142.8	63%	0.626	78%	0.78	S	S	*	*			trans	-113.8	125.6	-175.2	61.1	0	0	0	0	112.8	D89 T93	D89-T91 PolarHBondContact O-N 3.02Å; T91-T93 PolarHBondContact O-N 2.89Å
92	S	25.2	Very low	27.3	Very low	124 Å²	124	142.6 Å²	142.6	87%	0.867	78%	0.776	S	S	*	*			trans	-76.4	79.5	-175.3	-172	0	0	0	0	112.4	R94	S92-R94 PolarHBondContact O-N 2.98Å; S92-R94 VanDerWaalsContact O-N 3.12Å
93	T	26	Very low	27.4	Very low	122 Å²	122	143.6 Å²	143.6	75%	0.748	77%	0.768	S	S	*	*			trans	-80.3	88.4	176.6	43.2	0	0	0	0	111.3	T91 S95	T91-T93 PolarHBondContact O-N 2.89Å; T93-S95 PolarHBondContact O-N 2.83Å
94	R	25.6	Very low	27.5	Very low	221 Å²	221	143 Å²	143	83%	0.834	76%	0.755	S	S	*	*			trans	-55.9	102.3	169.1	-94.4	-179.9	161.2	170.2	-4.8	110.8	S92 R96	S92-R94 PolarHBondContact O-N 2.98Å; S92-R94 VanDerWaalsContact O-N 3.12Å; R94-R96 PolarHBondContact O-N 2.88Å
95	S	26.2	Very low	27.8	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	75%	0.748	S	S	*	*			trans	-66.5	91.8	176.2	-170.1	0	0	0	0	111.6	T93 A97	T93-S95 PolarHBondContact O-N 2.83Å; S95-A97 PolarHBondContact O-N 2.83Å
96	R	24.3	Very low	27.8	Very low	236 Å²	236	140.3 Å²	140.3	89%	0.891	73%	0.732	S	S	*	*			trans	-85.9	96.5	170.2	-76.4	174.7	164.8	160.5	-5.9	109	R94	R94-R96 PolarHBondContact O-N 2.88Å
97	A	25.3	Very low	27.9	Very low	62 Å²	62	137.2 Å²	137.2	51%	0.512	72%	0.721	S	S	.	*			trans	-135	147.8	179.6	0	0	0	0	0	113.8	S95	S95-A97 PolarHBondContact O-N 2.83Å
98	F	27	Very low	28	Very low	199 Å²	199	133.5 Å²	133.5	87%	0.873	71%	0.71	S	S	*	*	S	Bend	trans	63.9	41.6	163	-56	-66.5	0	0	0	120.9
99	I	28.5	Very low	28	Very low	165 Å²	165	134.2 Å²	134.2	85%	0.846	70%	0.701	S	S	*	*	S	Bend	trans	-130.9	46.3	155.8	-37.4	179.1	0	0	0	112.1
100	R	27.7	Very low	27.9	Very low	250 Å²	250	132.5 Å²	132.5	94%	0.943	69%	0.689	S	S	*	*			trans	-142.6	11.9	-178.9	-77.2	-161.5	173.2	-167.5	-2.9	117.7
101	H	26.9	Very low	28.1	Very low	116 Å²	116	135.4 Å²	135.4	54%	0.537	68%	0.678	S	S	.	*			trans	-99.4	121.1	179.4	-156.8	-119.1	0	0	0	113	F103 N104	H101-F103 VanDerWaalsContact C-N 3.31Å; H101-F103 AromaticContact CE1-CD2 3.54Å; H101-F103 PolarHBondContact O-N 3.29Å; H101-N104 PolarHBondContact O-N 3.47Å
102	P	29.5	Very low	28.1	Very low	90 Å²	90	131.5 Å²	131.5	58%	0.584	66%	0.658	S	S	*	*	H	α-helix	trans	-67.7	-24.8	-172.5	25.2	-33.8	0	0	0	114.1	N104 L105 L106	P102-N104 PolarHBondContact O-N 3.35Å; P102-L105 WeakPolarHBondContact O-CB 3.38Å; P102-L105 PolarHBondContact O-N 3.43Å; P102-L105 VanDerWaalsContact O-N 3.15Å; P102-L106 PolarHBondContact O-N 3.48Å
103	F	27.1	Very low	28.4	Very low	128 Å²	128	127.7 Å²	127.7	56%	0.561	63%	0.628	S	S	*	*	H	α-helix	trans	-63.7	-26.3	175.1	-79.8	-96.3	0	0	0	113.4	H101 L105 L106 L107	H101-F103 VanDerWaalsContact C-N 3.31Å; H101-F103 AromaticContact CE1-CD2 3.54Å; H101-F103 PolarHBondContact O-N 3.29Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 2.87Å; F103-L106 HydrophobicContact CD1-CD2 4.31Å; F103-L106 WeakPolarHBondContact O-CA 3.43Å; F103-L106 VanDerWaalsContact O-CB 3.32Å; F103-L106 WeakPolarHBondContact O-CB 3.45Å; F103-L106 PolarHBondContact O-N 3.48Å; F103-L107 PolarHBondContact O-N 2.86Å
104	N	29.1	Very low	28.5	Very low	100 Å²	100	127 Å²	127	54%	0.535	62%	0.619	S	S	.	*	H	α-helix	trans	-70.1	-29.5	177	-65.3	12	0	0	0	111.4	H101 P102 L106 A108	H101-N104 PolarHBondContact O-N 3.47Å; P102-N104 PolarHBondContact O-N 3.35Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-A108 WeakPolarHBondContact O-CB 3.35Å; N104-A108 PolarHBondContact O-N 2.83Å
105	L	31	Very low	28.7	Very low	140 Å²	140	117.3 Å²	117.3	73%	0.733	59%	0.587	S	S	*	*	H	α-helix	trans	-74.2	-21.4	169.5	-99.5	162.5	0	0	0	112.7	P102 F103 R109	P102-L105 WeakPolarHBondContact O-CB 3.38Å; P102-L105 PolarHBondContact O-N 3.43Å; P102-L105 VanDerWaalsContact O-N 3.15Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 2.87Å; L105-R109 WeakPolarHBondContact O-CB 3.34Å; L105-R109 PolarHBondContact O-N 3.49Å
106	L	28.3	Very low	29	Very low	82 Å²	82	115.8 Å²	115.8	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-80.1	-44.5	174.4	-153.8	74.1	0	0	0	111.2	P102 F103 N104 A108 R109 E110	P102-L106 PolarHBondContact O-N 3.48Å; F103-L106 HydrophobicContact CD1-CD2 4.31Å; F103-L106 WeakPolarHBondContact O-CA 3.43Å; F103-L106 VanDerWaalsContact O-CB 3.32Å; F103-L106 WeakPolarHBondContact O-CB 3.45Å; F103-L106 PolarHBondContact O-N 3.48Å; N104-L106 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.94Å; L106-R109 CarbonylContact O-C 3.55Å; L106-R109 WeakPolarHBondContact O-CA 3.31Å; L106-R109 VanDerWaalsContact O-CB 3.28Å; L106-R109 WeakPolarHBondContact O-CB 3.28Å; L106-R109 PolarHBondContact O-N 3.03Å; L106-E110 PolarHBondContact O-N 3.21Å
107	L	29.7	Very low	29.6	Very low	102 Å²	102	105.5 Å²	105.5	53%	0.534	54%	0.538	S	S	.	.	H	α-helix	trans	-59.4	-43.3	173.1	-81	158.4	0	0	0	112.2	F103 R109 E110 Q111	F103-L107 PolarHBondContact O-N 2.86Å; L107-R109 PolarHBondContact O-N 3.21Å; L107-E110 PolarHBondContact O-N 2.94Å; L107-Q111 PolarHBondContact O-N 3.23Å; L107-Q111 VanDerWaalsContact O-N 3.16Å
108	A	30.5	Very low	30.3	Very low	65 Å²	65	103.9 Å²	103.9	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-16	173.3	0	0	0	0	0	113.9	N104 L106	N104-A108 WeakPolarHBondContact O-CB 3.35Å; N104-A108 PolarHBondContact O-N 2.83Å; L106-A108 PolarHBondContact O-N 2.94Å
109	R	29.3	Very low	30.6	Very low	167 Å²	167	98.8 Å²	98.8	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-93.4	-32.8	178	-174.3	-172.6	179.1	95.2	2.7	112.2	L105 L106 L107 I114	L105-R109 WeakPolarHBondContact O-CB 3.34Å; L105-R109 PolarHBondContact O-N 3.49Å; L106-R109 CarbonylContact O-C 3.55Å; L106-R109 WeakPolarHBondContact O-CA 3.31Å; L106-R109 VanDerWaalsContact O-CB 3.28Å; L106-R109 WeakPolarHBondContact O-CB 3.28Å; L106-R109 PolarHBondContact O-N 3.03Å; L107-R109 PolarHBondContact O-N 3.21Å; R109-I114 HydrophobicContact CG-CD1 3.93Å
110	E	31	Very low	30.9	Very low	102 Å²	102	92.8 Å²	92.8	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-80.3	-19.1	175.6	-67.8	-170	132.4	0	0	113.1	R63 L106 L107 G112	R63-E110 IonicContact CZ-OE1 3.73Å; R63-E110 IonicContact NH1-OE1 2.74Å; R63-E110 PolarHBondContact NH1-OE1 3.43Å; L106-E110 PolarHBondContact O-N 3.21Å; L107-E110 PolarHBondContact O-N 2.94Å; E110-G112 PolarHBondContact O-N 3.32Å; E110-G112 VanDerWaalsContact O-N 3.1Å
111	Q	33.8	Very low	31.2	Very low	152 Å²	152	88.2 Å²	88.2	71%	0.71	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	20.3	170.9	-70.9	-171.5	-8.4	0	0	115.3	L107 D113	L107-Q111 PolarHBondContact O-N 3.23Å; L107-Q111 VanDerWaalsContact O-N 3.16Å; Q111-D113 PolarHBondContact O-N 3.25Å
112	G	28.5	Very low	31.7	Very low	20 Å²	20	89 Å²	89	21%	0.206	46%	0.455	C	S	.	.	S	Bend	trans	65.6	42.4	152.9	0	0	0	0	0	117.9	E110	E110-G112 PolarHBondContact O-N 3.32Å; E110-G112 VanDerWaalsContact O-N 3.1Å
113	D	30.6	Very low	31.7	Very low	44 Å²	44	90 Å²	90	24%	0.235	46%	0.455	C	S	.	.			trans	-156.7	98.8	167.7	-109.4	-41.9	0	0	0	112.1	Q111 K119	Q111-D113 PolarHBondContact O-N 3.25Å; D113-K119 HydrophobicContact CB-CD 3.74Å; D113-K119 WeakPolarHBondContact OD2-CD 3.37Å; D113-K119 WeakPolarHBondContact OD2-CE 3.47Å; D113-K119 IonicContact OD2-NZ 3.73Å; D113-K119 PolarHBondContact OD2-NZ 3.16Å
114	I	28.8	Very low	31.9	Very low	109 Å²	109	91.7 Å²	91.7	56%	0.559	46%	0.457	S	S	*	.			trans	-108.7	64.1	178.3	-47	-178.1	0	0	0	110.1	R109	R109-I114 HydrophobicContact CG-CD1 3.93Å
115	G	29.4	Very low	31.9	Very low	16 Å²	16	94.7 Å²	94.7	17%	0.165	46%	0.462	C	S	.	.			trans	-139.9	129.5	172.3	0	0	0	0	0	110.4	S117	G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 3.27Å
116	P	31.7	Very low	31.9	Very low	86 Å²	86	95.7 Å²	95.7	56%	0.558	46%	0.456	S	S	*	.	S	Bend	trans	-67.5	-16.6	-178.4	-23.9	34.9	0	0	0	115.8	S120 F870	P116-S120 WeakPolarHBondContact O-CB 3.41Å; P116-S120 PolarHBondContact O-OG 2.95Å; P116-F870 HydrophobicContact CB-CE1 4.37Å; P116-F870 HydrophobicContact CG-CE1 4.49Å
117	S	38.3	Very low	32	Very low	20 Å²	20	94.8 Å²	94.8	14%	0.14	46%	0.461	C	S	.	.	S	Bend	trans	-71.8	-59.5	-169.3	55.7	0	0	0	0	113.9	G115 D538	G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 3.27Å; S117-D538 WeakPolarHBondContact CB-OD1 3.37Å; S117-D538 PolarHBondContact OG-OD1 3.34Å
118	S	39.3	Very low	32.1	Very low	29 Å²	29	94.1 Å²	94.1	20%	0.203	47%	0.465	C	S	.	.	S	Bend	trans	-76.5	-65.1	-167.7	65.4	0	0	0	0	114.1	R122	S118-R122 VanDerWaalsContact O-CG 3.3Å; S118-R122 WeakPolarHBondContact O-CG 3.39Å
119	K	34.2	Very low	32	Very low	92 Å²	92	101.8 Å²	101.8	40%	0.4	48%	0.48	S	S	.	.	H	α-helix	trans	-78.5	-29.1	-172.3	-80.1	173.9	178.8	155.2	0	114.2	D113 R121 R122 L123	D113-K119 HydrophobicContact CB-CD 3.74Å; D113-K119 WeakPolarHBondContact OD2-CD 3.37Å; D113-K119 WeakPolarHBondContact OD2-CE 3.47Å; D113-K119 IonicContact OD2-NZ 3.73Å; D113-K119 PolarHBondContact OD2-NZ 3.16Å; K119-R121 VanDerWaalsContact C-N 3.32Å; K119-R121 PolarHBondContact O-N 3.45Å; K119-R122 PolarHBondContact O-N 3.1Å; K119-L123 PolarHBondContact O-N 3.16Å
120	S	33.6	Very low	32	Very low	39 Å²	39	104.8 Å²	104.8	27%	0.273	49%	0.491	S	S	.	.	H	α-helix	trans	-72.4	-19.8	-173	98.6	0	0	0	0	115	P116 R124	P116-S120 WeakPolarHBondContact O-CB 3.41Å; P116-S120 PolarHBondContact O-OG 2.95Å; S120-R124 PolarHBondContact O-NE 3.42Å; S120-R124 PolarHBondContact OG-NH2 3.12Å
121	R	35.5	Very low	32.1	Very low	153 Å²	153	106 Å²	106	58%	0.577	51%	0.506	S	S	*	.	H	α-helix	trans	-91.5	-40.2	168.4	-68.4	-171.6	-179.7	-157.3	1.7	111.9	K119 L123 R124 Y125	K119-R121 VanDerWaalsContact C-N 3.32Å; K119-R121 PolarHBondContact O-N 3.45Å; R121-L123 PolarHBondContact O-N 3.44Å; R121-R124 PolarHBondContact O-N 3.08Å; R121-R124 VanDerWaalsContact O-N 3.08Å; R121-Y125 PolarHBondContact O-N 3.44Å
122	R	37	Very low	32.1	Very low	132 Å²	132	105 Å²	105	50%	0.498	51%	0.51	S	S	.	.	H	α-helix	trans	-54.5	-35.4	173.8	-71.7	178	-177.6	-172.7	3.3	112.1	S118 K119 E523	S118-R122 VanDerWaalsContact O-CG 3.3Å; S118-R122 WeakPolarHBondContact O-CG 3.39Å; K119-R122 PolarHBondContact O-N 3.1Å; R122-E523 IonicContact CZ-OE1 2.72Å; R122-E523 IonicContact NH1-OE1 3.82Å; R122-E523 IonicContact NH2-OE1 3.84Å; R122-E523 PolarHBondContact NH2-OE1 3.3Å
123	L	30	Very low	32.1	Very low	112 Å²	112	113.4 Å²	113.4	59%	0.586	54%	0.544	S	S	*	.	H	α-helix	trans	-78.8	-35.4	173.4	-77.8	170.6	0	0	0	114.8	K119 R121 Y125 R126 A127	K119-L123 PolarHBondContact O-N 3.16Å; R121-L123 PolarHBondContact O-N 3.44Å; L123-Y125 VanDerWaalsContact C-N 3.32Å; L123-Y125 PolarHBondContact O-N 2.98Å; L123-R126 WeakPolarHBondContact O-CA 3.5Å; L123-R126 WeakPolarHBondContact O-CB 3.33Å; L123-R126 PolarHBondContact O-N 3.03Å; L123-A127 PolarHBondContact O-N 3.35Å; L123-A127 VanDerWaalsContact O-N 3.12Å
124	R	30.4	Very low	32	Very low	163 Å²	163	114.6 Å²	114.6	62%	0.615	57%	0.567	S	S	*	*	H	α-helix	trans	-66.3	-33.5	179.5	-90.5	-178.1	-84.2	-166.8	-5.4	112.9	S120 R121 R126 A127 S128	S120-R124 PolarHBondContact O-NE 3.42Å; S120-R124 PolarHBondContact OG-NH2 3.12Å; R121-R124 PolarHBondContact O-N 3.08Å; R121-R124 VanDerWaalsContact O-N 3.08Å; R124-R126 PolarHBondContact O-N 3.18Å; R124-A127 PolarHBondContact O-N 3.19Å; R124-S128 PolarHBondContact O-N 2.9Å; R124-S128 PolarHBondContact O-OG 3.15Å
125	Y	30	Very low	32.1	Very low	164 Å²	164	115.7 Å²	115.7	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-17.5	169.5	-93.7	-79.4	0	0	0	114.4	R121 L123	R121-Y125 PolarHBondContact O-N 3.44Å; L123-Y125 VanDerWaalsContact C-N 3.32Å; L123-Y125 PolarHBondContact O-N 2.98Å
126	R	29.5	Very low	32.1	Very low	160 Å²	160	123.5 Å²	123.5	60%	0.604	62%	0.616	S	S	*	*	H	α-helix	trans	-84.7	-30.8	169.8	-104.9	-179.7	169.4	168.4	-2.2	112.5	L123 R124	L123-R126 WeakPolarHBondContact O-CA 3.5Å; L123-R126 WeakPolarHBondContact O-CB 3.33Å; L123-R126 PolarHBondContact O-N 3.03Å; R124-R126 PolarHBondContact O-N 3.18Å
127	A	30	Very low	31.8	Very low	64 Å²	64	130 Å²	130	53%	0.529	63%	0.63	S	S	.	*	H	α-helix	trans	-81.6	-34	-179.1	0	0	0	0	0	113.7	L123 R124 R129 W130	L123-A127 PolarHBondContact O-N 3.35Å; L123-A127 VanDerWaalsContact O-N 3.12Å; R124-A127 PolarHBondContact O-N 3.19Å; A127-R129 PolarHBondContact O-N 2.98Å; A127-W130 PolarHBondContact O-N 3.12Å
128	S	32.2	Very low	31.4	Very low	87 Å²	87	138.8 Å²	138.8	61%	0.608	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	26.8	-174.4	70.5	0	0	0	0	115.4	R124	R124-S128 PolarHBondContact O-N 2.9Å; R124-S128 PolarHBondContact O-OG 3.15Å
129	R	29.3	Very low	30.7	Very low	227 Å²	227	145.4 Å²	145.4	86%	0.857	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	9.5	175.8	-151.2	172.5	-176.4	172.5	-0.2	113	A127	A127-R129 PolarHBondContact O-N 2.98Å
130	W	29.7	Very low	30.4	Very low	230 Å²	230	144.6 Å²	144.6	87%	0.871	72%	0.717	S	S	*	*			trans	-125.9	54.2	-179.2	-67.7	95.2	0	0	0	111.5	A127	A127-W130 PolarHBondContact O-N 3.12Å
131	T	32.5	Very low	30.1	Very low	127 Å²	127	150.1 Å²	150.1	78%	0.779	74%	0.743	S	S	*	*			trans	-130.6	110.9	167.3	50.4	0	0	0	0	108.5
132	T	33	Very low	29.7	Very low	132 Å²	132	151 Å²	151	81%	0.81	75%	0.753	S	S	*	*			trans	-65.1	146.6	174.7	44.7	0	0	0	0	111.6
133	E	28.5	Very low	29.3	Very low	195 Å²	195	150.8 Å²	150.8	91%	0.911	76%	0.761	S	S	*	*	S	Bend	trans	21.5	111.8	148.6	-58.4	179.8	158.6	0	0	118.1
134	G	29.4	Very low	29.3	Very low	70 Å²	70	153.7 Å²	153.7	72%	0.722	77%	0.765	S	S	*	*			trans	146.9	117.9	156.1	0	0	0	0	0	116.6
135	S	31	Very low	29.1	Very low	132 Å²	132	148.5 Å²	148.5	92%	0.923	76%	0.762	S	S	*	*			trans	69.3	145.8	151.1	-60.2	0	0	0	0	120.1
136	Q	28.2	Very low	29	Very low	179 Å²	179	146.9 Å²	146.9	84%	0.836	77%	0.773	S	S	*	*			trans	-86.9	158.5	-177.5	-61.5	166.1	-21.1	0	0	112.6
137	R	25.7	Very low	29	Very low	222 Å²	222	150.1 Å²	150.1	84%	0.838	79%	0.785	S	S	*	*			trans	116.2	109.8	155.3	-67.8	171.1	170.9	167.3	-3.1	114.7
138	F	29.7	Very low	29.1	Very low	206 Å²	206	152.3 Å²	152.3	90%	0.904	80%	0.797	S	S	*	*				-173.8	105.1	119	-102.9	-67.2	0	0	0	109.1
139	D	25.9	Very low	28.8	Very low	167 Å²	167	158.7 Å²	158.7	89%	0.893	81%	0.814	S	S	*	*			trans	-69.3	138.6	172.4	-65.4	-70.9	0	0	0	110.6
140	G	26.3	Very low	28.7	Very low	75 Å²	75	151 Å²	151	77%	0.773	81%	0.805	S	S	*	*			trans	157.3	-23.2	175.1	0	0	0	0	0	116.7
141	L	27.7	Very low	28.6	Very low	156 Å²	156	144 Å²	144	82%	0.817	80%	0.796	S	S	*	*			trans	-119	109.5	174.4	-101.5	71.4	0	0	0	111.1	I143	L141-I143 PolarHBondContact O-N 2.96Å
142	Q	27	Very low	28.4	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	80%	0.796	S	S	*	*			trans	-71	93	163.4	-86.8	-172.2	-16.7	0	0	109.8	Y144	Q142-Y144 PolarHBondContact O-N 3.44Å
143	I	29.6	Very low	28.4	Very low	129 Å²	129	146.8 Å²	146.8	66%	0.662	79%	0.789	S	S	*	*			trans	-71	111.6	169.6	-58.3	174.3	0	0	0	107.6	L141 G145	L141-I143 PolarHBondContact O-N 2.96Å; I143-G145 PolarHBondContact O-N 3.24Å
144	Y	28.9	Very low	29	Very low	173 Å²	173	141.3 Å²	141.3	68%	0.678	77%	0.771	S	S	*	*			trans	-71.6	64.4	169.5	-87.4	-69.3	0	0	0	111.1	Q142 K497	Q142-Y144 PolarHBondContact O-N 3.44Å; Y144-K497 VanDerWaalsContact CE1-NZ 3.32Å
145	G	26.1	Very low	29.4	Very low	53 Å²	53	145.4 Å²	145.4	55%	0.546	78%	0.776	S	S	.	*			trans	-102.7	67.9	-172	0	0	0	0	0	113.5	I143	I143-G145 PolarHBondContact O-N 3.24Å
146	C	27.9	Very low	30.3	Very low	131 Å²	131	144 Å²	144	89%	0.885	77%	0.772	S	S	*	*			trans	-145.8	67.6	164.9	-97.2	0	0	0	0	110.5	S148	C146-S148 PolarHBondContact O-N 3.37Å
147	R	30.9	Very low	31.7	Very low	227 Å²	227	138.4 Å²	138.4	86%	0.857	75%	0.746	S	S	*	*			trans	-65.1	130	163	-76.8	-173.3	171.3	-155.3	-6	108.7
148	S	31	Very low	33.5	Very low	110 Å²	110	131 Å²	131	77%	0.769	73%	0.726	S	S	*	*			trans	-57.1	142.7	168	37.2	0	0	0	0	110.4	C146 G150	C146-S148 PolarHBondContact O-N 3.37Å; S148-G150 PolarHBondContact O-N 3.37Å; S148-G150 VanDerWaalsContact O-N 3.17Å
149	K	26.2	Very low	35.2	Very low	222 Å²	222	125.2 Å²	125.2	97%	0.965	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	115	178	-61.4	174.1	-178.2	175.9	0	108.6
150	G	28	Very low	37	Very low	65 Å²	65	119.7 Å²	119.7	67%	0.67	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	172.2	-60.4	179.1	0	0	0	0	0	114.3	S148 L152	S148-G150 PolarHBondContact O-N 3.37Å; S148-G150 VanDerWaalsContact O-N 3.17Å; G150-L152 PolarHBondContact O-N 3.36Å
151	A	27.9	Very low	38.9	Very low	83 Å²	83	118.9 Å²	118.9	69%	0.686	65%	0.646	S	S	*	*			trans	-77.1	77	-173.6	0	0	0	0	0	113.4	Y153	A151-Y153 PolarHBondContact O-N 3.16Å; A151-Y153 VanDerWaalsContact O-N 3.15Å
152	L	27.9	Very low	40.7	Very low	150 Å²	150	114.6 Å²	114.6	79%	0.785	63%	0.628	S	S	*	*			trans	-81	79.6	175.6	-82	168.5	0	0	0	111.6	G150	G150-L152 PolarHBondContact O-N 3.36Å
153	Y	31.7	Very low	42.7	Very low	167 Å²	167	107.6 Å²	107.6	66%	0.655	60%	0.597	S	S	*	*			trans	67.3	156.2	-176.8	-53.1	-86.2	0	0	0	113.7	A151	A151-Y153 PolarHBondContact O-N 3.16Å; A151-Y153 VanDerWaalsContact O-N 3.15Å
154	P	41.3	Very low	44.9	Very low	81 Å²	81	101.9 Å²	101.9	53%	0.526	57%	0.568	S	S	.	*			trans	-68.3	151.4	148.6	33.2	-32.9	0	0	0	108.6
155	D	39.5	Very low	47.1	Very low	155 Å²	155	94.3 Å²	94.3	83%	0.829	54%	0.543	S	S	*	.			trans	-60.1	172.9	169.9	-72.9	-58.3	0	0	0	111.8	Q157	D155-Q157 PolarHBondContact O-N 2.72Å
156	A	49.9	Very low	49.4	Very low	103 Å²	103	92.6 Å²	92.6	85%	0.851	52%	0.522	S	S	*	.			trans	-62.5	94.2	-178.4	0	0	0	0	0	111.2	T158	A156-T158 PolarHBondContact O-N 3.11Å
157	Q	56.2	Low	51.8	Low	61 Å²	61	87.5 Å²	87.5	29%	0.285	49%	0.486	S	S	.	.			trans	-48.3	131.3	-176.1	-68	-177.7	-23	0	0	111.4	D155 E161 N521	D155-Q157 PolarHBondContact O-N 2.72Å; Q157-E161 VanDerWaalsContact CA-OE2 3.32Å; Q157-E161 WeakPolarHBondContact CA-OE2 3.28Å; Q157-E161 HydrophobicContact CB-CB 4.36Å; Q157-E161 WeakPolarHBondContact CB-OE2 3.2Å; Q157-N521 PolarHBondContact NE2-ND2 2.98Å; Q157-N521 PolarHBondContact NE2-OD1 3.2Å
158	T	64.8	Low	53.9	Low	68 Å²	68	79.8 Å²	79.8	42%	0.417	46%	0.457	S	S	.	.			trans	-61.1	155.2	175.7	63	0	0	0	0	110.4	A156 Q160 E161 S162	A156-T158 PolarHBondContact O-N 3.11Å; T158-Q160 PolarHBondContact O-N 3.33Å; T158-Q160 VanDerWaalsContact O-N 3.17Å; T158-E161 VanDerWaalsContact CB-OE1 3.25Å; T158-E161 WeakPolarHBondContact CB-OE1 3.5Å; T158-E161 WeakPolarHBondContact CG2-OE1 3.31Å; T158-E161 PolarHBondContact N-OE1 3.26Å; T158-E161 VanDerWaalsContact N-OE1 3.08Å; T158-E161 PolarHBondContact N-OE2 3.11Å; T158-E161 PolarHBondContact O-N 2.95Å; T158-E161 VanDerWaalsContact OG1-CD 3.24Å; T158-E161 WeakPolarHBondContact OG1-CG 3.18Å; T158-E161 PolarHBondContact OG1-N 3.21Å; T158-E161 PolarHBondContact OG1-OE1 3Å; T158-S162 WeakPolarHBondContact O-CB 3.38Å; T158-S162 PolarHBondContact O-N 3.16Å
159	F	65.5	Low	56.2	Low	84 Å²	84	74.5 Å²	74.5	37%	0.368	42%	0.42	S	S	.	.	H	α-helix	trans	-53.6	-36.8	172.6	171.5	-108.8	0	0	0	111.6	G65 S162 V163 F620	G65-F159 WeakPolarHBondContact O-CE2 3.13Å; F159-S162 WeakPolarHBondContact O-CB 2.93Å; F159-S162 PolarHBondContact O-N 3.3Å; F159-V163 HydrophobicContact CD2-CG2 4.18Å; F159-V163 HydrophobicContact CE1-CG2 4Å; F159-V163 HydrophobicContact CE2-CG2 3.57Å; F159-V163 HydrophobicContact CZ-CG2 3.49Å; F159-V163 VanDerWaalsContact CZ-CG2 3.49Å; F159-V163 WeakPolarHBondContact O-CG2 3.42Å; F159-V163 PolarHBondContact O-N 2.99Å; F159-F620 HydrophobicContact CE1-CE1 4.39Å; F159-F620 HydrophobicContact CE1-CZ 4.24Å
160	Q	63.4	Low	58.8	Low	51 Å²	51	64 Å²	64	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-49	179	-176.5	159.2	16.5	0	0	112.4	T158 S162 V163 Q164 T564	T158-Q160 PolarHBondContact O-N 3.33Å; T158-Q160 VanDerWaalsContact O-N 3.17Å; Q160-S162 VanDerWaalsContact C-N 3.35Å; Q160-S162 PolarHBondContact O-N 3.08Å; Q160-V163 PolarHBondContact O-N 3.36Å; Q160-Q164 WeakPolarHBondContact O-CB 3.39Å; Q160-Q164 PolarHBondContact O-N 3.3Å; Q160-T564 VanDerWaalsContact CD-O 3.3Å; Q160-T564 WeakPolarHBondContact CG-O 3.5Å; Q160-T564 PolarHBondContact NE2-O 2.65Å; Q160-T564 PolarHBondContact NE2-OG1 3.08Å
161	E	65.6	Low	61.2	Low	58 Å²	58	63.1 Å²	63.1	27%	0.271	36%	0.356	S	S	.	.	H	α-helix	trans	-57.1	-46.3	170.7	-75.2	154.9	-114.8	0	0	112.4	Q157 T158 V163 Q164 G165 P520	Q157-E161 VanDerWaalsContact CA-OE2 3.32Å; Q157-E161 WeakPolarHBondContact CA-OE2 3.28Å; Q157-E161 HydrophobicContact CB-CB 4.36Å; Q157-E161 WeakPolarHBondContact CB-OE2 3.2Å; T158-E161 VanDerWaalsContact CB-OE1 3.25Å; T158-E161 WeakPolarHBondContact CB-OE1 3.5Å; T158-E161 WeakPolarHBondContact CG2-OE1 3.31Å; T158-E161 PolarHBondContact N-OE1 3.26Å; T158-E161 VanDerWaalsContact N-OE1 3.08Å; T158-E161 PolarHBondContact N-OE2 3.11Å; T158-E161 PolarHBondContact O-N 2.95Å; T158-E161 VanDerWaalsContact OG1-CD 3.24Å; T158-E161 WeakPolarHBondContact OG1-CG 3.18Å; T158-E161 PolarHBondContact OG1-N 3.21Å; T158-E161 PolarHBondContact OG1-OE1 3Å; E161-V163 VanDerWaalsContact C-N 3.28Å; E161-V163 PolarHBondContact O-N 3.43Å; E161-Q164 PolarHBondContact O-N 2.93Å; E161-G165 PolarHBondContact O-N 3.38Å; E161-P520 HydrophobicContact CB-CB 4.18Å; E161-P520 HydrophobicContact CB-CG 3.68Å; E161-P520 HydrophobicContact CG-CB 3.89Å; E161-P520 HydrophobicContact CG-CG 3.98Å; E161-P520 WeakPolarHBondContact O-CG 3.39Å
162	S	64.8	Low	63.8	Low	65 Å²	65	63.8 Å²	63.8	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-35	-177.9	-171	0	0	0	0	112.5	T158 F159 Q160 S166	T158-S162 WeakPolarHBondContact O-CB 3.38Å; T158-S162 PolarHBondContact O-N 3.16Å; F159-S162 WeakPolarHBondContact O-CB 2.93Å; F159-S162 PolarHBondContact O-N 3.3Å; Q160-S162 VanDerWaalsContact C-N 3.35Å; Q160-S162 PolarHBondContact O-N 3.08Å; S162-S166 WeakPolarHBondContact O-CB 3.18Å; S162-S166 PolarHBondContact O-N 3.08Å
163	V	70.4	Confident	66.7	Low	23 Å²	23	56.7 Å²	56.7	14%	0.139	30%	0.304	C	S	.	.	H	α-helix	trans	-75.2	-43.7	173	173.2	0	0	0	0	111.7	F159 Q160 E161 G165 S166 P566 F620	F159-V163 HydrophobicContact CD2-CG2 4.18Å; F159-V163 HydrophobicContact CE1-CG2 4Å; F159-V163 HydrophobicContact CE2-CG2 3.57Å; F159-V163 HydrophobicContact CZ-CG2 3.49Å; F159-V163 VanDerWaalsContact CZ-CG2 3.49Å; F159-V163 WeakPolarHBondContact O-CG2 3.42Å; F159-V163 PolarHBondContact O-N 2.99Å; Q160-V163 PolarHBondContact O-N 3.36Å; E161-V163 VanDerWaalsContact C-N 3.28Å; E161-V163 PolarHBondContact O-N 3.43Å; V163-G165 VanDerWaalsContact C-N 3.3Å; V163-G165 PolarHBondContact O-N 3.17Å; V163-S166 VanDerWaalsContact O-CB 3.22Å; V163-S166 WeakPolarHBondContact O-CB 3.25Å; V163-S166 PolarHBondContact O-N 2.8Å; V163-P566 HydrophobicContact CG1-CB 4.48Å; V163-P566 HydrophobicContact CG1-CG 3.96Å; V163-F620 HydrophobicContact CG1-CE1 4.5Å; V163-F620 HydrophobicContact CG1-CZ 4.15Å
164	Q	74.7	Confident	69.3	Low	9 Å²	9	50.5 Å²	50.5	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-38.9	178.4	-175.3	-177.6	32.2	0	0	112.1	Q160 E161 S166 F518 H562 P563 L565	Q160-Q164 WeakPolarHBondContact O-CB 3.39Å; Q160-Q164 PolarHBondContact O-N 3.3Å; E161-Q164 PolarHBondContact O-N 2.93Å; Q164-S166 VanDerWaalsContact C-N 3.31Å; Q164-S166 PolarHBondContact O-N 3.16Å; Q164-F518 HydrophobicContact CG-CZ 4.43Å; Q164-F518 WeakPolarHBondContact O-CE1 3.27Å; Q164-H562 PolarHBondContact NE2-O 3.08Å; Q164-P563 PolarHBondContact NE2-O 3.15Å; Q164-P563 VanDerWaalsContact NE2-O 3.14Å; Q164-L565 WeakPolarHBondContact CG-O 3.35Å; Q164-L565 PolarHBondContact NE2-O 3.46Å
165	G	74.4	Confident	71.7	Confident	15 Å²	15	50.1 Å²	50.1	16%	0.155	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	10.2	173.4	0	0	0	0	0	115.2	E161 V163 Y524	E161-G165 PolarHBondContact O-N 3.38Å; V163-G165 VanDerWaalsContact C-N 3.3Å; V163-G165 PolarHBondContact O-N 3.17Å; G165-Y524 PolarHBondContact O-OH 3.18Å
166	S	76.4	Confident	74	Confident	16 Å²	16	46.1 Å²	46.1	11%	0.112	25%	0.25	C	S	.	.			trans	-86.6	131.4	-175.5	-171.3	0	0	0	0	113.8	S162 V163 Q164 W168 A169 V170	S162-S166 WeakPolarHBondContact O-CB 3.18Å; S162-S166 PolarHBondContact O-N 3.08Å; V163-S166 VanDerWaalsContact O-CB 3.22Å; V163-S166 WeakPolarHBondContact O-CB 3.25Å; V163-S166 PolarHBondContact O-N 2.8Å; Q164-S166 VanDerWaalsContact C-N 3.31Å; Q164-S166 PolarHBondContact O-N 3.16Å; S166-W168 PolarHBondContact O-N 2.6Å; S166-W168 PolarHBondContact OG-N 3Å; S166-A169 PolarHBondContact O-N 2.76Å; S166-V170 PolarHBondContact O-N 3.22Å; S166-V170 VanDerWaalsContact O-N 3.11Å
167	L	77.3	Confident	75.8	Confident	25 Å²	25	44.2 Å²	44.2	13%	0.131	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-28.8	172.4	-176	63.2	0	0	0	112.5	A169 T171 Y524 I545	L167-A169 VanDerWaalsContact C-N 3.32Å; L167-T171 HydrophobicContact CD1-CG2 4Å; L167-T171 HydrophobicContact CG-CG2 4.36Å; L167-T171 WeakPolarHBondContact O-CB 3.49Å; L167-T171 WeakPolarHBondContact O-CG2 3.4Å; L167-T171 PolarHBondContact O-N 3.32Å; L167-T171 VanDerWaalsContact O-N 3.09Å; L167-T171 PolarHBondContact O-OG1 2.79Å; L167-Y524 WeakPolarHBondContact CA-OH 3.34Å; L167-Y524 PolarHBondContact N-OH 3Å; L167-I545 HydrophobicContact CD1-CD1 4.02Å; L167-I545 HydrophobicContact CD1-CG1 4.28Å; L167-I545 HydrophobicContact CD1-CG2 3.65Å
168	W	75.9	Confident	77.6	Confident	64 Å²	64	46.4 Å²	46.4	24%	0.242	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-38.7	175.4	176.5	101.4	0	0	0	111.8	I64 S166 T171 R172 P582	I64-W168 HydrophobicContact CD1-CG 4.27Å; I64-W168 HydrophobicContact CG2-CG 4.36Å; S166-W168 PolarHBondContact O-N 2.6Å; S166-W168 PolarHBondContact OG-N 3Å; W168-T171 PolarHBondContact O-OG1 2.79Å; W168-R172 VanDerWaalsContact CZ2-CD 3.48Å; W168-R172 PolarHBondContact O-N 2.93Å; W168-P582 HydrophobicContact CZ3-CB 4.09Å; W168-P582 HydrophobicContact CZ3-CG 4.44Å
169	A	77.5	Confident	79.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-76.7	-49.4	-179	0	0	0	0	0	110.2	S166 L167 T171 R172 L173 P566 P582	S166-A169 PolarHBondContact O-N 2.76Å; L167-A169 VanDerWaalsContact C-N 3.32Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 2.89Å; A169-R172 PolarHBondContact O-N 3.15Å; A169-L173 PolarHBondContact O-N 2.66Å; A169-P566 HydrophobicContact CB-CB 3.77Å; A169-P582 HydrophobicContact CB-CB 4.32Å; A169-P582 HydrophobicContact CB-CG 4.3Å
170	V	81.1	Confident	80.4	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.8	-41	177.9	175.6	0	0	0	0	112.5	S166 R172 L173 F518 Y524 L536 I545	S166-V170 PolarHBondContact O-N 3.22Å; S166-V170 VanDerWaalsContact O-N 3.11Å; V170-R172 VanDerWaalsContact C-N 3.33Å; V170-R172 PolarHBondContact O-N 3.18Å; V170-L173 PolarHBondContact O-N 2.98Å; V170-F518 HydrophobicContact CG2-CD1 4.02Å; V170-F518 HydrophobicContact CG2-CE1 3.67Å; V170-Y524 HydrophobicContact CG2-CD2 3.8Å; V170-Y524 HydrophobicContact CG2-CE2 3.58Å; V170-Y524 HydrophobicContact CG2-CG 4.38Å; V170-L536 HydrophobicContact CG1-CD2 3.87Å; V170-I545 HydrophobicContact CG1-CB 4.37Å; V170-I545 HydrophobicContact CG1-CD1 4.31Å; V170-I545 HydrophobicContact CG1-CG2 3.76Å
171	T	79.9	Confident	81.8	Confident	48 Å²	48	45.2 Å²	45.2	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-76.6	-15.4	179.3	52.6	0	0	0	0	114.3	L167 W168 A169 I545	L167-T171 HydrophobicContact CD1-CG2 4Å; L167-T171 HydrophobicContact CG-CG2 4.36Å; L167-T171 WeakPolarHBondContact O-CB 3.49Å; L167-T171 WeakPolarHBondContact O-CG2 3.4Å; L167-T171 PolarHBondContact O-N 3.32Å; L167-T171 VanDerWaalsContact O-N 3.09Å; L167-T171 PolarHBondContact O-OG1 2.79Å; W168-T171 PolarHBondContact O-OG1 2.79Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 2.89Å; T171-I545 HydrophobicContact CG2-CG2 3.46Å; T171-I545 VanDerWaalsContact CG2-CG2 3.46Å
172	R	82.7	Confident	83.2	Confident	97 Å²	97	43.1 Å²	43.1	37%	0.366	22%	0.216	S	C	.	.	H	α-helix	trans	-95.2	-4.7	174.3	-83.8	177.3	167.2	68.2	-13.4	114.4	D61 W168 A169 V170 H174 P582	D61-R172 IonicContact OD1-CZ 3.8Å; D61-R172 IonicContact OD1-NE 3.15Å; D61-R172 IonicContact OD1-NH2 3.12Å; D61-R172 PolarHBondContact OD1-NH2 3.29Å; W168-R172 VanDerWaalsContact CZ2-CD 3.48Å; W168-R172 PolarHBondContact O-N 2.93Å; A169-R172 PolarHBondContact O-N 3.15Å; V170-R172 VanDerWaalsContact C-N 3.33Å; V170-R172 PolarHBondContact O-N 3.18Å; R172-H174 PolarHBondContact O-N 3.22Å; R172-H174 PolarHBondContact O-ND1 3.31Å; R172-P582 HydrophobicContact CB-CB 3.7Å
173	L	87	Confident	84.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.232	C	C	.	.			trans	-55.9	126.1	176.4	-68.5	175.6	0	0	0	110.5	A169 V170 L536 Q546 L548 L568 T581	A169-L173 PolarHBondContact O-N 2.66Å; V170-L173 PolarHBondContact O-N 2.98Å; L173-L536 HydrophobicContact CD1-CD2 3.7Å; L173-Q546 PolarHBondContact O-NE2 3.3Å; L173-L548 HydrophobicContact CB-CD1 3.78Å; L173-L548 WeakPolarHBondContact O-CD2 3.5Å; L173-L568 HydrophobicContact CD1-CD1 3.99Å; L173-T581 WeakPolarHBondContact CA-O 3.41Å
174	H	87.6	Confident	85.9	Confident	37 Å²	37	49.1 Å²	49.1	17%	0.171	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	171.8	176.4	67.9	-69.7	0	0	0	108	R172 E176 W580 T581 L583 P585	R172-H174 PolarHBondContact O-N 3.22Å; R172-H174 PolarHBondContact O-ND1 3.31Å; H174-E176 PolarHBondContact O-N 3.27Å; H174-W580 VanDerWaalsContact O-CA 3.23Å; H174-W580 WeakPolarHBondContact O-CA 3.42Å; H174-T581 PolarHBondContact CE1-O 3.11Å; H174-T581 PolarHBondContact N-O 3.32Å; H174-T581 PolarHBondContact ND1-O 3.01Å; H174-T581 PolarHBondContact O-N 2.88Å; H174-L583 PolarHBondContact CE1-O 3.12Å; H174-L583 PolarHBondContact NE2-O 2.95Å; H174-P585 WeakPolarHBondContact NE2-CD 3.31Å
175	L	91.1	Very high	86.8	Confident	73 Å²	73	49.8 Å²	49.8	38%	0.382	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.1	-177.9	-178.2	60.8	0	0	0	110.5	K578 W580	L175-K578 HydrophobicContact CD1-CB 3.77Å; L175-K578 HydrophobicContact CD1-CG 4.35Å; L175-W580 HydrophobicContact CB-CE3 4.05Å; L175-W580 HydrophobicContact CB-CH2 3.87Å; L175-W580 HydrophobicContact CB-CZ3 3.6Å; L175-W580 HydrophobicContact CD1-CD2 4.48Å; L175-W580 HydrophobicContact CD1-CH2 4.08Å; L175-W580 HydrophobicContact CD1-CZ2 3.96Å; L175-W580 HydrophobicContact CD1-CZ3 4.44Å; L175-W580 HydrophobicContact CG-CH2 4.41Å; L175-W580 VanDerWaalsContact N-CE3 3.35Å
176	E	87.8	Confident	87.8	Confident	70 Å²	70	49 Å²	49	33%	0.327	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-52.2	173.3	-170.9	-175.4	119.9	0	0	111.1	H174 I579 T581	H174-E176 PolarHBondContact O-N 3.27Å; E176-I579 PolarHBondContact N-O 3.26Å; E176-T581 HydrophobicContact CB-CG2 4.02Å; E176-T581 WeakPolarHBondContact OE2-CB 3.47Å; E176-T581 WeakPolarHBondContact OE2-CG2 3.32Å; E176-T581 PolarHBondContact OE2-OG1 3.03Å
177	N	88.6	Confident	88.7	Confident	64 Å²	64	49.6 Å²	49.6	34%	0.342	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.2	-172.3	-77.4	-54.6	0	0	0	112.9	F179 I579	N177-F179 HydrophobicContact CB-CD2 4.33Å; N177-F179 HydrophobicContact CB-CE2 3.5Å; N177-F179 VanDerWaalsContact CB-CE2 3.5Å; N177-F179 HydrophobicContact CB-CZ 3.73Å; N177-I579 HydrophobicContact CB-CB 4.46Å; N177-I579 PolarHBondContact N-O 2.95Å; N177-I579 PolarHBondContact O-N 3.02Å
178	K	93.2	Very high	89.6	Confident	106 Å²	106	48.5 Å²	48.5	46%	0.461	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.3	176.7	-165	-164.5	-179	-169.3	0	109.7	E180 D576	K178-E180 HydrophobicContact CD-CG 4.18Å; K178-E180 WeakPolarHBondContact CE-OE1 3.1Å; K178-E180 IonicContact NZ-OE1 3.89Å; K178-E180 PolarHBondContact NZ-OE1 3.41Å; K178-D576 WeakPolarHBondContact CE-OD2 3.44Å; K178-D576 HydrophobicContact CG-CB 4.37Å; K178-D576 WeakPolarHBondContact CG-OD2 3.37Å
179	F	95.4	Very high	90.7	Very high	25 Å²	25	46 Å²	46	11%	0.11	21%	0.214	C	C	.	.			trans	-119.4	83.6	-172.7	-70	-72.5	0	0	0	113.3	N177 C181 T210 W212 D576 F577 I579	N177-F179 HydrophobicContact CB-CD2 4.33Å; N177-F179 HydrophobicContact CB-CE2 3.5Å; N177-F179 VanDerWaalsContact CB-CE2 3.5Å; N177-F179 HydrophobicContact CB-CZ 3.73Å; F179-C181 VanDerWaalsContact C-N 3.3Å; F179-C181 PolarHBondContact O-N 2.94Å; F179-C181 PolarHBondContact O-SG 3.41Å; F179-C181 VanDerWaalsContact O-SG 3.33Å; F179-T210 HydrophobicContact CD1-CG2 4.12Å; F179-T210 HydrophobicContact CE1-CG2 4.29Å; F179-W212 HydrophobicContact CE2-CB 4.3Å; F179-W212 HydrophobicContact CZ-CB 4.4Å; F179-D576 WeakPolarHBondContact O-CA 3.36Å; F179-F577 HydrophobicContact CB-CD1 3.81Å; F179-F577 HydrophobicContact CB-CD2 4.1Å; F179-F577 HydrophobicContact CB-CE1 3.48Å; F179-F577 VanDerWaalsContact CB-CE1 3.48Å; F179-F577 HydrophobicContact CB-CE2 3.78Å; F179-F577 HydrophobicContact CB-CG 4.1Å; F179-F577 HydrophobicContact CB-CZ 3.45Å; F179-F577 VanDerWaalsContact CB-CZ 3.45Å; F179-F577 HydrophobicContact CD1-CZ 4.4Å; F179-F577 AromaticContact CD2-CD2 3.87Å; F179-F577 HydrophobicContact CD2-CD2 3.87Å; F179-F577 AromaticContact CD2-CE2 3.26Å; F179-F577 HydrophobicContact CD2-CE2 3.26Å; F179-F577 AromaticContact CD2-CZ 3.64Å; F179-F577 HydrophobicContact CD2-CZ 3.64Å; F179-F577 HydrophobicContact CE2-CE2 4.06Å; F179-F577 HydrophobicContact CG-CD2 4.36Å; F179-F577 HydrophobicContact CG-CE1 4.13Å; F179-F577 AromaticContact CG-CE2 3.7Å; F179-F577 HydrophobicContact CG-CE2 3.7Å; F179-F577 AromaticContact CG-CZ 3.55Å; F179-F577 HydrophobicContact CG-CZ 3.55Å; F179-F577 PolarHBondContact N-O 2.86Å; F179-F577 PolarHBondContact O-N 3.39Å; F179-I579 HydrophobicContact CD2-CG1 3.97Å; F179-I579 HydrophobicContact CE2-CB 4.38Å; F179-I579 HydrophobicContact CE2-CG1 3.62Å
180	E	94.3	Very high	91.7	Very high	140 Å²	140	47 Å²	47	65%	0.654	22%	0.219	S	C	*	.			trans	-73.7	75.1	178.7	-59.4	-175.7	166.6	0	0	111.7	K178 D576	K178-E180 HydrophobicContact CD-CG 4.18Å; K178-E180 WeakPolarHBondContact CE-OE1 3.1Å; K178-E180 IonicContact NZ-OE1 3.89Å; K178-E180 PolarHBondContact NZ-OE1 3.41Å; E180-D576 HydrophobicContact CG-CB 4.23Å
181	C	92.4	Very high	92.4	Very high	13 Å²	13	47.4 Å²	47.4	9%	0.088	22%	0.221	C	C	.	.			trans	-109.5	-12.3	-173.1	57.9	0	0	0	0	115.1	F179 V208	F179-C181 VanDerWaalsContact C-N 3.3Å; F179-C181 PolarHBondContact O-N 2.94Å; F179-C181 PolarHBondContact O-SG 3.41Å; F179-C181 VanDerWaalsContact O-SG 3.33Å; C181-V208 HydrophobicContact CB-CG1 4.14Å; C181-V208 HydrophobicContact CB-CG2 4.46Å
182	H	96	Very high	93.1	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.065	21%	0.207	C	C	.	.			trans	-117.1	178.6	-175.9	-76.7	-73.4	0	0	0	112.9	V186 S200 S202 D204 Y575	H182-V186 HydrophobicContact CB-CG2 3.82Å; H182-S200 PolarHBondContact CD2-OG 3.19Å; H182-S200 WeakPolarHBondContact NE2-CB 3.37Å; H182-S200 PolarHBondContact NE2-O 2.76Å; H182-S200 PolarHBondContact NE2-OG 2.93Å; H182-S202 VanDerWaalsContact CE1-CB 3.49Å; H182-S202 WeakPolarHBondContact CE1-CB 3.33Å; H182-S202 VanDerWaalsContact CG-CB 3.43Å; H182-S202 WeakPolarHBondContact ND1-CB 3.3Å; H182-D204 IonicContact CE1-OD1 3.86Å; H182-D204 IonicContact CG-OD2 3.88Å; H182-D204 IonicContact ND1-OD1 3.3Å; H182-D204 PolarHBondContact ND1-OD1 3.14Å; H182-D204 VanDerWaalsContact ND1-OD1 3.12Å; H182-D204 IonicContact ND1-OD2 3.03Å; H182-D204 PolarHBondContact ND1-OD2 2.93Å; H182-D204 VanDerWaalsContact ND1-OD2 3.15Å; H182-Y575 PolarHBondContact N-O 2.92Å
183	R	95.8	Very high	93.6	Very high	208 Å²	208	44.4 Å²	44.4	79%	0.785	22%	0.217	S	C	*	.	S	Bend	trans	-132.3	31.7	178.2	-56.1	-172.9	-173.5	-170.8	0.7	112.9	D204	R183-D204 HydrophobicContact CB-CB 4.21Å; R183-D204 PolarHBondContact N-OD2 3.4Å
184	G	94.4	Very high	93.7	Very high	6 Å²	6	50.7 Å²	50.7	6%	0.062	24%	0.24	C	C	.	.	S	Bend	trans	-178.1	168.9	-177.2	0	0	0	0	0	109.2	S202 Y575	G184-S202 PolarHBondContact O-OG 3.05Å; G184-Y575 VanDerWaalsContact CA-CD1 3.42Å
185	C	94.2	Very high	93.8	Very high	23 Å²	23	49 Å²	49	16%	0.155	23%	0.232	C	C	.	.			trans	-48.2	141.7	-177	-40.7	0	0	0	0	111.7	S202 D203 G572 L573	C185-S202 WeakPolarHBondContact O-CA 3.45Å; C185-S202 WeakPolarHBondContact O-CB 3.43Å; C185-S202 PolarHBondContact O-OG 3.23Å; C185-D203 WeakPolarHBondContact CB-OD2 3.44Å; C185-D203 PolarHBondContact O-N 2.86Å; C185-D203 PolarHBondContact SG-OD2 2.86Å; C185-G572 WeakPolarHBondContact CB-O 3.29Å; C185-L573 HydrophobicContact CB-CD2 4.45Å
186	V	96.2	Very high	93.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.			trans	-108.1	85.6	-177.9	179.9	0	0	0	0	108.9	H182 A188 L189 A571 G572 D574 D576	H182-V186 HydrophobicContact CB-CG2 3.82Å; V186-A188 VanDerWaalsContact C-N 3.34Å; V186-A188 PolarHBondContact O-N 3.26Å; V186-L189 HydrophobicContact CG1-CD2 4.17Å; V186-A571 HydrophobicContact CB-CB 3.87Å; V186-A571 HydrophobicContact CG1-CB 3.74Å; V186-A571 WeakPolarHBondContact O-CB 3.23Å; V186-G572 PolarHBondContact N-O 3.41Å; V186-G572 VanDerWaalsContact N-O 3.07Å; V186-G572 PolarHBondContact O-N 2.73Å; V186-D574 PolarHBondContact N-O 3.39Å; V186-D576 WeakPolarHBondContact CB-O 3.46Å; V186-D576 WeakPolarHBondContact CG2-O 3.38Å
187	N	94.8	Very high	94.1	Very high	28 Å²	28	45 Å²	45	15%	0.15	21%	0.214	C	C	.	.			trans	-79.9	-14.6	-171.5	-46.3	-57.4	0	0	0	113.8	G201 D203 I229	N187-G201 PolarHBondContact N-O 2.85Å; N187-D203 PolarHBondContact ND2-OD1 3.47Å; N187-I229 WeakPolarHBondContact CB-O 3.38Å; N187-I229 PolarHBondContact ND2-O 2.54Å
188	A	96.8	Very high	94.6	Very high	1 Å²	1	42 Å²	42	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.4	-169.7	0	0	0	0	0	112.1	V186 S200 G201 V232	V186-A188 VanDerWaalsContact C-N 3.34Å; V186-A188 PolarHBondContact O-N 3.26Å; A188-S200 CarbonylContact O-C 3.54Å; A188-S200 WeakPolarHBondContact O-CA 3.3Å; A188-G201 PolarHBondContact N-O 3.43Å; A188-G201 PolarHBondContact O-N 3.44Å; A188-V232 HydrophobicContact CB-CB 4.5Å; A188-V232 HydrophobicContact CB-CG1 4.15Å; A188-V232 HydrophobicContact CB-CG2 4.03Å
189	L	97.6	Very high	94.8	Very high	11 Å²	11	37 Å²	37	6%	0.058	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.7	173.3	-65.4	177.1	0	0	0	109.5	V186 I198 A199 V558 E560 A569 A571 F577	V186-L189 HydrophobicContact CG1-CD2 4.17Å; L189-I198 HydrophobicContact CB-CD1 4.26Å; L189-I198 HydrophobicContact CD1-CD1 4.44Å; L189-I198 HydrophobicContact CD2-CD1 4.06Å; L189-I198 HydrophobicContact CD2-CG1 4.39Å; L189-I198 HydrophobicContact CG-CD1 4.49Å; L189-A199 CarbonylContact C-O 3.57Å; L189-A199 WeakPolarHBondContact CA-O 3.37Å; L189-V558 HydrophobicContact CB-CG2 4.32Å; L189-V558 HydrophobicContact CD1-CG1 4.11Å; L189-V558 HydrophobicContact CG-CG1 3.97Å; L189-E560 HydrophobicContact CB-CB 4.47Å; L189-A569 HydrophobicContact CD1-CB 3.9Å; L189-A571 HydrophobicContact CD1-CB 3.83Å; L189-A571 HydrophobicContact CD2-CB 4.39Å; L189-A571 HydrophobicContact CG-CB 4.13Å; L189-F577 HydrophobicContact CD1-CB 4.26Å; L189-F577 HydrophobicContact CD2-CB 3.78Å; L189-F577 HydrophobicContact CD2-CD1 4.32Å; L189-F577 HydrophobicContact CD2-CG 3.98Å
190	N	98	Very high	94.9	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	125.5	163.8	178	-135.5	0	0	0	113.4	A199 V232 K233 F234 E560	N190-A199 PolarHBondContact N-O 3Å; N190-A199 PolarHBondContact O-N 3.48Å; N190-V232 HydrophobicContact CB-CG2 4.32Å; N190-V232 WeakPolarHBondContact CB-O 3.47Å; N190-K233 VanDerWaalsContact OD1-CA 3.3Å; N190-K233 WeakPolarHBondContact OD1-CA 3.41Å; N190-F234 VanDerWaalsContact O-CE2 3.32Å; N190-F234 WeakPolarHBondContact O-CE2 3.32Å; N190-F234 PolarHBondContact OD1-N 3.41Å; N190-E560 VanDerWaalsContact C-OE2 3.22Å; N190-E560 VanDerWaalsContact CA-CD 3.46Å; N190-E560 VanDerWaalsContact CA-OE1 3.29Å; N190-E560 WeakPolarHBondContact CA-OE1 3.32Å; N190-E560 WeakPolarHBondContact CA-OE2 3.3Å; N190-E560 PolarHBondContact ND2-OE1 3.47Å
191	F	96.5	Very high	95.1	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.035	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.3	166.1	-73.5	-73	0	0	0	111.3	G195 L197 I198 W212 E560 H562 A569 I579	F191-G195 WeakPolarHBondContact CD1-O 3.49Å; F191-L197 CarbonylContact C-O 3.57Å; F191-L197 VanDerWaalsContact CA-O 3.27Å; F191-L197 WeakPolarHBondContact CA-O 3.48Å; F191-I198 HydrophobicContact CD1-CB 3.95Å; F191-I198 HydrophobicContact CD1-CD1 4.43Å; F191-I198 HydrophobicContact CD1-CG1 4.38Å; F191-I198 HydrophobicContact CE1-CB 4.03Å; F191-I198 HydrophobicContact CE1-CD1 4.09Å; F191-I198 HydrophobicContact CE1-CG1 4.45Å; F191-I198 HydrophobicContact CE2-CD1 4.24Å; F191-I198 HydrophobicContact CZ-CD1 4Å; F191-W212 AromaticContact CE1-CD1 3.66Å; F191-W212 HydrophobicContact CE1-CG 4.35Å; F191-W212 AromaticContact CE1-NE1 3.57Å; F191-E560 HydrophobicContact CD2-CG 4.2Å; F191-E560 WeakPolarHBondContact CD2-OE2 3.38Å; F191-E560 PolarHBondContact N-OE1 3.28Å; F191-E560 PolarHBondContact N-OE2 2.89Å; F191-H562 HydrophobicContact CD2-CB 4.34Å; F191-H562 AromaticContact CE1-CD2 3.92Å; F191-H562 HydrophobicContact CE2-CB 3.97Å; F191-H562 HydrophobicContact CZ-CB 4.09Å; F191-A569 HydrophobicContact CE2-CB 3.96Å; F191-A569 HydrophobicContact CZ-CB 3.99Å; F191-I579 HydrophobicContact CZ-CD1 4.4Å
192	N	95.4	Very high	95.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.135	C	C	.	.			trans	-69.1	165.7	166.9	73.8	-32.8	0	0	0	111.1	R194 G195 N196 L197 F234 D240	N192-R194 PolarHBondContact O-N 2.97Å; N192-R194 VanDerWaalsContact O-N 3.08Å; N192-G195 WeakPolarHBondContact O-CA 3.42Å; N192-G195 PolarHBondContact O-N 3.37Å; N192-G195 VanDerWaalsContact OD1-C 3.32Å; N192-G195 WeakPolarHBondContact OD1-CA 3.4Å; N192-G195 PolarHBondContact OD1-N 3.45Å; N192-N196 PolarHBondContact ND2-OD1 3.39Å; N192-N196 PolarHBondContact OD1-N 3.12Å; N192-N196 PolarHBondContact OD1-OD1 2.88Å; N192-L197 HydrophobicContact CB-CB 4.24Å; N192-L197 PolarHBondContact N-O 3.04Å; N192-L197 PolarHBondContact OD1-N 3.15Å; N192-L197 PolarHBondContact OD1-O 3.07Å; N192-F234 HydrophobicContact CB-CD1 4.15Å; N192-F234 HydrophobicContact CB-CD2 3.77Å; N192-F234 HydrophobicContact CB-CE1 4.18Å; N192-F234 HydrophobicContact CB-CE2 3.79Å; N192-F234 HydrophobicContact CB-CG 3.94Å; N192-F234 HydrophobicContact CB-CZ 4Å; N192-D240 WeakPolarHBondContact CB-OD1 3.35Å; N192-D240 PolarHBondContact ND2-OD1 2.63Å; N192-D240 PolarHBondContact ND2-OD2 3.27Å
193	S	91.9	Very high	95.4	Very high	81 Å²	81	29.9 Å²	29.9	57%	0.566	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.2	-176.5	-53.9	0	0	0	0	114.2
194	R	89	Confident	95.4	Very high	134 Å²	134	21 Å²	21	51%	0.506	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.6	173.1	-62.4	175	173.8	104.7	0.8	113.3	N192 N196 D240	N192-R194 PolarHBondContact O-N 2.97Å; N192-R194 VanDerWaalsContact O-N 3.08Å; R194-N196 WeakPolarHBondContact CB-OD1 3.48Å; R194-N196 PolarHBondContact O-N 3.28Å; R194-D240 IonicContact CZ-OD2 4Å; R194-D240 IonicContact NH1-OD1 3.42Å; R194-D240 IonicContact NH1-OD2 3.69Å; R194-D240 PolarHBondContact NH1-OD2 2.97Å
195	G	90.6	Very high	95.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	76.8	-11	-178.3	0	0	0	0	0	116.2	F191 N192 L197 W212 H562	F191-G195 WeakPolarHBondContact CD1-O 3.49Å; N192-G195 WeakPolarHBondContact O-CA 3.42Å; N192-G195 PolarHBondContact O-N 3.37Å; N192-G195 VanDerWaalsContact OD1-C 3.32Å; N192-G195 WeakPolarHBondContact OD1-CA 3.4Å; N192-G195 PolarHBondContact OD1-N 3.45Å; G195-L197 VanDerWaalsContact C-N 3.35Å; G195-L197 PolarHBondContact O-N 3.41Å; G195-W212 PolarHBondContact O-NE1 3.4Å; G195-H562 VanDerWaalsContact CA-NE2 3.32Å; G195-H562 WeakPolarHBondContact CA-NE2 3.32Å; G195-H562 PolarHBondContact O-CD2 3.22Å; G195-H562 VanDerWaalsContact O-CD2 3.32Å; G195-H562 PolarHBondContact O-NE2 3.45Å; G195-H562 VanDerWaalsContact O-NE2 3.13Å
196	N	90.6	Very high	95.7	Very high	49 Å²	49	24.2 Å²	24.2	26%	0.262	12%	0.123	S	C	.	.	S	Bend	trans	-77.2	-14.5	-175.3	73.2	-65	0	0	0	115	N192 R194 N211 I213	N192-N196 PolarHBondContact ND2-OD1 3.39Å; N192-N196 PolarHBondContact OD1-N 3.12Å; N192-N196 PolarHBondContact OD1-OD1 2.88Å; R194-N196 WeakPolarHBondContact CB-OD1 3.48Å; R194-N196 PolarHBondContact O-N 3.28Å; N196-N211 WeakPolarHBondContact O-CA 3.47Å; N196-I213 HydrophobicContact CB-CD1 4.25Å
197	L	95.4	Very high	95.8	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.063	12%	0.123	C	C	.	.			trans	-121.6	142	176.5	-60	175.4	0	0	0	110	F191 N192 G195 V209 T210 N211 W219 F234 D240	F191-L197 CarbonylContact C-O 3.57Å; F191-L197 VanDerWaalsContact CA-O 3.27Å; F191-L197 WeakPolarHBondContact CA-O 3.48Å; N192-L197 HydrophobicContact CB-CB 4.24Å; N192-L197 PolarHBondContact N-O 3.04Å; N192-L197 PolarHBondContact OD1-N 3.15Å; N192-L197 PolarHBondContact OD1-O 3.07Å; G195-L197 VanDerWaalsContact C-N 3.35Å; G195-L197 PolarHBondContact O-N 3.41Å; L197-V209 HydrophobicContact CB-CG1 4.09Å; L197-V209 HydrophobicContact CD1-CG1 4.24Å; L197-V209 HydrophobicContact CD2-CG1 4.4Å; L197-V209 HydrophobicContact CG-CG1 4.48Å; L197-T210 WeakPolarHBondContact CA-O 3.22Å; L197-N211 HydrophobicContact CD2-CB 3.84Å; L197-W219 HydrophobicContact CD1-CZ3 3.92Å; L197-F234 HydrophobicContact CB-CZ 4.03Å; L197-D240 HydrophobicContact CD1-CB 4.19Å
198	I	97.7	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.5	168.9	-171.8	166.6	0	0	0	109.7	L189 F191 V209 T210 W212 A569 F577	L189-I198 HydrophobicContact CB-CD1 4.26Å; L189-I198 HydrophobicContact CD1-CD1 4.44Å; L189-I198 HydrophobicContact CD2-CD1 4.06Å; L189-I198 HydrophobicContact CD2-CG1 4.39Å; L189-I198 HydrophobicContact CG-CD1 4.49Å; F191-I198 HydrophobicContact CD1-CB 3.95Å; F191-I198 HydrophobicContact CD1-CD1 4.43Å; F191-I198 HydrophobicContact CD1-CG1 4.38Å; F191-I198 HydrophobicContact CE1-CB 4.03Å; F191-I198 HydrophobicContact CE1-CD1 4.09Å; F191-I198 HydrophobicContact CE1-CG1 4.45Å; F191-I198 HydrophobicContact CE2-CD1 4.24Å; F191-I198 HydrophobicContact CZ-CD1 4Å; I198-V209 WeakPolarHBondContact O-CA 3.43Å; I198-T210 PolarHBondContact N-O 3.01Å; I198-T210 PolarHBondContact O-N 2.82Å; I198-W212 HydrophobicContact CG2-CB 4.34Å; I198-A569 HydrophobicContact CD1-CB 3.45Å; I198-A569 VanDerWaalsContact CD1-CB 3.45Å; I198-F577 HydrophobicContact CD1-CD2 4.37Å; I198-F577 HydrophobicContact CD1-CE2 4.34Å; I198-F577 HydrophobicContact CG2-CE1 4.41Å; I198-F577 HydrophobicContact CG2-CE2 3.61Å; I198-F577 HydrophobicContact CG2-CZ 3.52Å
199	A	98	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.3	172.6	0	0	0	0	0	109.4	L189 N190 V207 V208 V209 V232 F234 I243	L189-A199 CarbonylContact C-O 3.57Å; L189-A199 WeakPolarHBondContact CA-O 3.37Å; N190-A199 PolarHBondContact N-O 3Å; N190-A199 PolarHBondContact O-N 3.48Å; A199-V207 HydrophobicContact CB-CG1 4.37Å; A199-V208 CarbonylContact C-O 3.57Å; A199-V208 WeakPolarHBondContact CA-O 3.42Å; A199-V209 HydrophobicContact CB-CG2 4.18Å; A199-V232 HydrophobicContact CB-CG2 4.2Å; A199-V232 WeakPolarHBondContact O-CG2 3.42Å; A199-F234 HydrophobicContact CB-CD2 4.24Å; A199-F234 HydrophobicContact CB-CE2 3.61Å; A199-F234 HydrophobicContact CB-CZ 4.01Å; A199-I243 HydrophobicContact CB-CD1 3.98Å
200	S	98.3	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.7	175.1	57.3	0	0	0	0	110.9	H182 A188 V207 V208	H182-S200 PolarHBondContact CD2-OG 3.19Å; H182-S200 WeakPolarHBondContact NE2-CB 3.37Å; H182-S200 PolarHBondContact NE2-O 2.76Å; H182-S200 PolarHBondContact NE2-OG 2.93Å; A188-S200 CarbonylContact O-C 3.54Å; A188-S200 WeakPolarHBondContact O-CA 3.3Å; S200-V207 VanDerWaalsContact O-CA 3.24Å; S200-V207 WeakPolarHBondContact O-CA 3.45Å; S200-V208 PolarHBondContact N-O 2.88Å; S200-V208 PolarHBondContact O-N 3.19Å; S200-V208 PolarHBondContact OG-O 3.46Å
201	G	97.6	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.7	178	0	0	0	0	0	111.6	N187 A188	N187-G201 PolarHBondContact N-O 2.85Å; A188-G201 PolarHBondContact N-O 3.43Å; A188-G201 PolarHBondContact O-N 3.44Å
202	S	97.7	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.			trans	-136.3	163.9	-165.7	175	0	0	0	0	114.2	H182 G184 C185 D204 L205 K206	H182-S202 VanDerWaalsContact CE1-CB 3.49Å; H182-S202 WeakPolarHBondContact CE1-CB 3.33Å; H182-S202 VanDerWaalsContact CG-CB 3.43Å; H182-S202 WeakPolarHBondContact ND1-CB 3.3Å; G184-S202 PolarHBondContact O-OG 3.05Å; C185-S202 WeakPolarHBondContact O-CA 3.45Å; C185-S202 WeakPolarHBondContact O-CB 3.43Å; C185-S202 PolarHBondContact O-OG 3.23Å; S202-D204 PolarHBondContact O-N 3.37Å; S202-D204 PolarHBondContact OG-N 2.87Å; S202-L205 PolarHBondContact O-N 3.2Å; S202-K206 PolarHBondContact N-O 3.03Å
203	D	96.5	Very high	95.1	Very high	43 Å²	43	24.4 Å²	24.4	23%	0.23	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.2	165	-69.2	1.5	0	0	0	113.6	C185 N187 L205 N228	C185-D203 WeakPolarHBondContact CB-OD2 3.44Å; C185-D203 PolarHBondContact O-N 2.86Å; C185-D203 PolarHBondContact SG-OD2 2.86Å; N187-D203 PolarHBondContact ND2-OD1 3.47Å; D203-L205 PolarHBondContact O-N 3.34Å; D203-N228 VanDerWaalsContact OD1-CB 3.29Å; D203-N228 WeakPolarHBondContact OD1-CB 3.47Å; D203-N228 VanDerWaalsContact OD1-CG 3.3Å; D203-N228 PolarHBondContact OD1-ND2 2.99Å; D203-N228 PolarHBondContact OD2-ND2 3.03Å
204	D	97	Very high	94.9	Very high	22 Å²	22	23.4 Å²	23.4	12%	0.118	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	4.1	177.8	81.3	-3.9	0	0	0	115.1	H182 R183 S202 K206 R222	H182-D204 IonicContact CE1-OD1 3.86Å; H182-D204 IonicContact CG-OD2 3.88Å; H182-D204 IonicContact ND1-OD1 3.3Å; H182-D204 PolarHBondContact ND1-OD1 3.14Å; H182-D204 VanDerWaalsContact ND1-OD1 3.12Å; H182-D204 IonicContact ND1-OD2 3.03Å; H182-D204 PolarHBondContact ND1-OD2 2.93Å; H182-D204 VanDerWaalsContact ND1-OD2 3.15Å; R183-D204 HydrophobicContact CB-CB 4.21Å; R183-D204 PolarHBondContact N-OD2 3.4Å; S202-D204 PolarHBondContact O-N 3.37Å; S202-D204 PolarHBondContact OG-N 2.87Å; D204-K206 PolarHBondContact O-N 3.04Å; D204-K206 WeakPolarHBondContact OD1-CB 3.5Å; D204-K206 WeakPolarHBondContact OD1-CG 2.91Å; D204-K206 PolarHBondContact OD1-N 3.4Å; D204-R222 PolarHBondContact O-NH1 2.81Å
205	L	97.4	Very high	94.9	Very high	45 Å²	45	18.9 Å²	18.9	24%	0.236	11%	0.108	C	C	.	.	S	Bend	trans	68	13.3	-179.5	-46.5	176.4	0	0	0	114.3	S202 D203 T223 M227	S202-L205 PolarHBondContact O-N 3.2Å; D203-L205 PolarHBondContact O-N 3.34Å; L205-T223 PolarHBondContact O-N 3.48Å; L205-T223 PolarHBondContact O-OG1 3.39Å; L205-M227 VanDerWaalsContact CD2-O 3.23Å; L205-M227 WeakPolarHBondContact CD2-O 3.47Å
206	K	97.2	Very high	94.9	Very high	51 Å²	51	24.5 Å²	24.5	22%	0.222	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	159.9	174.8	-58.2	-180	173.9	-172.1	0	113.3	S202 D204 Y221 R222 I229	S202-K206 PolarHBondContact N-O 3.03Å; D204-K206 PolarHBondContact O-N 3.04Å; D204-K206 WeakPolarHBondContact OD1-CB 3.5Å; D204-K206 WeakPolarHBondContact OD1-CG 2.91Å; D204-K206 PolarHBondContact OD1-N 3.4Å; K206-Y221 WeakPolarHBondContact CA-O 3.44Å; K206-Y221 WeakPolarHBondContact CB-O 3.4Å; K206-R222 HydrophobicContact CG-CG 4.35Å; K206-I229 WeakPolarHBondContact O-CD1 3.46Å
207	V	97.8	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.9	150.3	167.8	0	0	0	0	108.6	A199 S200 V209 Y221 T223 I229 V232 I243	A199-V207 HydrophobicContact CB-CG1 4.37Å; S200-V207 VanDerWaalsContact O-CA 3.24Å; S200-V207 WeakPolarHBondContact O-CA 3.45Å; V207-V209 HydrophobicContact CG1-CG2 4.32Å; V207-Y221 HydrophobicContact CB-CD1 4.48Å; V207-Y221 HydrophobicContact CB-CE1 3.78Å; V207-Y221 HydrophobicContact CB-CE2 4.14Å; V207-Y221 HydrophobicContact CG1-CE1 3.78Å; V207-Y221 PolarHBondContact N-O 3.1Å; V207-Y221 PolarHBondContact O-N 3.19Å; V207-T223 HydrophobicContact CB-CG2 4.2Å; V207-T223 HydrophobicContact CG2-CG2 3.63Å; V207-I229 HydrophobicContact CG2-CD1 4.34Å; V207-V232 HydrophobicContact CG2-CG1 3.64Å; V207-I243 HydrophobicContact CG1-CD1 4.4Å
208	V	97.2	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.2	168.5	-177.9	0	0	0	0	107.7	C181 A199 S200 Q217 W219	C181-V208 HydrophobicContact CB-CG1 4.14Å; C181-V208 HydrophobicContact CB-CG2 4.46Å; A199-V208 CarbonylContact C-O 3.57Å; A199-V208 WeakPolarHBondContact CA-O 3.42Å; S200-V208 PolarHBondContact N-O 2.88Å; S200-V208 PolarHBondContact O-N 3.19Å; S200-V208 PolarHBondContact OG-O 3.46Å; V208-Q217 HydrophobicContact CG1-CB 4.29Å; V208-Q217 HydrophobicContact CG1-CG 4.02Å; V208-W219 CarbonylContact C-O 3.56Å; V208-W219 WeakPolarHBondContact CA-O 3.41Å
209	V	97.5	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.8	173.1	-179.9	0	0	0	0	107.6	L197 I198 A199 V207 Q217 A218 W219 F234 I243 L257	L197-V209 HydrophobicContact CB-CG1 4.09Å; L197-V209 HydrophobicContact CD1-CG1 4.24Å; L197-V209 HydrophobicContact CD2-CG1 4.4Å; L197-V209 HydrophobicContact CG-CG1 4.48Å; I198-V209 WeakPolarHBondContact O-CA 3.43Å; A199-V209 HydrophobicContact CB-CG2 4.18Å; V207-V209 HydrophobicContact CG1-CG2 4.32Å; V209-Q217 CarbonylContact O-C 3.52Å; V209-A218 PolarHBondContact O-N 2.86Å; V209-W219 HydrophobicContact CB-CB 4.09Å; V209-W219 HydrophobicContact CB-CE3 3.86Å; V209-W219 HydrophobicContact CG1-CE3 3.7Å; V209-W219 HydrophobicContact CG1-CZ3 4.15Å; V209-W219 HydrophobicContact CG2-CB 4.25Å; V209-W219 HydrophobicContact CG2-CE3 4.49Å; V209-W219 PolarHBondContact N-O 3.03Å; V209-W219 PolarHBondContact O-N 2.93Å; V209-F234 HydrophobicContact CG1-CE1 4.48Å; V209-F234 HydrophobicContact CG1-CZ 3.83Å; V209-F234 HydrophobicContact CG2-CZ 4.44Å; V209-I243 HydrophobicContact CG2-CD1 3.42Å; V209-I243 VanDerWaalsContact CG2-CD1 3.42Å; V209-L257 HydrophobicContact CG2-CD1 4.44Å
210	T	96.3	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133	-173.7	-55.8	0	0	0	0	110	F179 L197 I198 W212 E216 F577	F179-T210 HydrophobicContact CD1-CG2 4.12Å; F179-T210 HydrophobicContact CE1-CG2 4.29Å; L197-T210 WeakPolarHBondContact CA-O 3.22Å; I198-T210 PolarHBondContact N-O 3.01Å; I198-T210 PolarHBondContact O-N 2.82Å; T210-W212 PolarHBondContact O-N 3.48Å; T210-E216 CarbonylContact C-O 3.56Å; T210-E216 WeakPolarHBondContact CA-O 3.43Å; T210-F577 HydrophobicContact CG2-CZ 4.16Å
211	N	93.3	Very high	94.4	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.15	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	95.5	164.1	177.8	-25.5	0	0	0	108.1	N196 L197 I213 T214 G215 E216	N196-N211 WeakPolarHBondContact O-CA 3.47Å; L197-N211 HydrophobicContact CD2-CB 3.84Å; N211-I213 PolarHBondContact O-N 3.09Å; N211-I213 VanDerWaalsContact O-N 3.09Å; N211-I213 PolarHBondContact OD1-N 3.11Å; N211-T214 VanDerWaalsContact CB-OG1 3.29Å; N211-T214 WeakPolarHBondContact CB-OG1 3.48Å; N211-T214 PolarHBondContact ND2-OG1 3.31Å; N211-T214 PolarHBondContact O-N 2.72Å; N211-T214 VanDerWaalsContact O-N 3.08Å; N211-T214 PolarHBondContact O-OG1 3.17Å; N211-T214 PolarHBondContact OD1-N 3.2Å; N211-T214 PolarHBondContact OD1-OG1 3.3Å; N211-G215 WeakPolarHBondContact O-CA 3.37Å; N211-G215 PolarHBondContact O-N 2.65Å; N211-E216 HydrophobicContact CB-CB 4.44Å; N211-E216 PolarHBondContact N-O 3.18Å; N211-E216 PolarHBondContact O-N 2.78Å
212	W	91.4	Very high	94.4	Very high	13 Å²	13	40.1 Å²	40.1	5%	0.049	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.4	-174.3	67.9	-87.8	0	0	0	114.1	F179 F191 G195 I198 T210 H562 L565 V567 I579	F179-W212 HydrophobicContact CE2-CB 4.3Å; F179-W212 HydrophobicContact CZ-CB 4.4Å; F191-W212 AromaticContact CE1-CD1 3.66Å; F191-W212 HydrophobicContact CE1-CG 4.35Å; F191-W212 AromaticContact CE1-NE1 3.57Å; G195-W212 PolarHBondContact O-NE1 3.4Å; I198-W212 HydrophobicContact CG2-CB 4.34Å; T210-W212 PolarHBondContact O-N 3.48Å; W212-H562 AromaticContact CZ2-CD2 3.6Å; W212-H562 AromaticContact CZ2-NE2 3.76Å; W212-H562 AromaticContact NE1-CD2 3.95Å; W212-L565 HydrophobicContact CH2-CD1 4.38Å; W212-L565 HydrophobicContact CZ2-CD1 4.29Å; W212-V567 HydrophobicContact CH2-CG1 4.38Å; W212-V567 HydrophobicContact CH2-CG2 4.13Å; W212-I579 HydrophobicContact CB-CG1 4.36Å; W212-I579 HydrophobicContact CE3-CG2 4.04Å; W212-I579 HydrophobicContact CZ3-CG2 4.36Å
213	I	87.8	Confident	94.3	Very high	34 Å²	34	40.1 Å²	40.1	17%	0.174	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.9	179.7	-51.4	166.2	0	0	0	111.9	N196 N211 R612 F621 I624	N196-I213 HydrophobicContact CB-CD1 4.25Å; N211-I213 PolarHBondContact O-N 3.09Å; N211-I213 VanDerWaalsContact O-N 3.09Å; N211-I213 PolarHBondContact OD1-N 3.11Å; I213-R612 PolarHBondContact O-NH2 3.33Å; I213-F621 HydrophobicContact CD1-CD1 4.1Å; I213-F621 HydrophobicContact CD1-CE1 3.61Å; I213-F621 HydrophobicContact CD1-CZ 4.39Å; I213-F621 HydrophobicContact CG1-CE1 4.41Å; I213-I624 HydrophobicContact CD1-CD1 4.37Å
214	T	89.4	Confident	94.3	Very high	61 Å²	61	40 Å²	40	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-19.1	178.7	58.1	0	0	0	0	113.3	N211 E216	N211-T214 VanDerWaalsContact CB-OG1 3.29Å; N211-T214 WeakPolarHBondContact CB-OG1 3.48Å; N211-T214 PolarHBondContact ND2-OG1 3.31Å; N211-T214 PolarHBondContact O-N 2.72Å; N211-T214 VanDerWaalsContact O-N 3.08Å; N211-T214 PolarHBondContact O-OG1 3.17Å; N211-T214 PolarHBondContact OD1-N 3.2Å; N211-T214 PolarHBondContact OD1-OG1 3.3Å; T214-E216 VanDerWaalsContact C-N 3.25Å; T214-E216 VanDerWaalsContact OG1-CB 3.32Å; T214-E216 WeakPolarHBondContact OG1-CB 3.37Å; T214-E216 PolarHBondContact OG1-N 3.47Å
215	G	88.3	Confident	94.3	Very high	38 Å²	38	39.3 Å²	39.3	39%	0.392	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	6.4	-169.3	0	0	0	0	0	114.6	N211	N211-G215 WeakPolarHBondContact O-CA 3.37Å; N211-G215 PolarHBondContact O-N 2.65Å
216	E	90.7	Very high	94.3	Very high	119 Å²	119	41.2 Å²	41.2	56%	0.556	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	123	-175.6	-172.8	178.1	-175.8	0	0	112.1	T210 N211 T214 A218	T210-E216 CarbonylContact C-O 3.56Å; T210-E216 WeakPolarHBondContact CA-O 3.43Å; N211-E216 HydrophobicContact CB-CB 4.44Å; N211-E216 PolarHBondContact N-O 3.18Å; N211-E216 PolarHBondContact O-N 2.78Å; T214-E216 VanDerWaalsContact C-N 3.25Å; T214-E216 VanDerWaalsContact OG1-CB 3.32Å; T214-E216 WeakPolarHBondContact OG1-CB 3.37Å; T214-E216 PolarHBondContact OG1-N 3.47Å; E216-A218 PolarHBondContact O-N 2.92Å; E216-A218 VanDerWaalsContact O-N 3.1Å
217	Q	92.5	Very high	94.3	Very high	100 Å²	100	42.4 Å²	42.4	47%	0.467	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	82.4	171.4	-66	-178.7	16.3	0	0	110	V208 V209 W219	V208-Q217 HydrophobicContact CG1-CB 4.29Å; V208-Q217 HydrophobicContact CG1-CG 4.02Å; V209-Q217 CarbonylContact O-C 3.52Å; Q217-W219 VanDerWaalsContact C-N 3.27Å; Q217-W219 PolarHBondContact O-N 2.74Å
218	A	91.3	Very high	94.2	Very high	31 Å²	31	45 Å²	45	26%	0.256	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-31	-176.9	0	0	0	0	0	113.4	V209 E216	V209-A218 PolarHBondContact O-N 2.86Å; E216-A218 PolarHBondContact O-N 2.92Å; E216-A218 VanDerWaalsContact O-N 3.1Å
219	W	95.5	Very high	94.2	Very high	32 Å²	32	45 Å²	45	12%	0.121	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.3	170.4	-61.7	-95.8	0	0	0	112.1	L197 V208 V209 Q217 L241 L257 S258 G262	L197-W219 HydrophobicContact CD1-CZ3 3.92Å; V208-W219 CarbonylContact C-O 3.56Å; V208-W219 WeakPolarHBondContact CA-O 3.41Å; V209-W219 HydrophobicContact CB-CB 4.09Å; V209-W219 HydrophobicContact CB-CE3 3.86Å; V209-W219 HydrophobicContact CG1-CE3 3.7Å; V209-W219 HydrophobicContact CG1-CZ3 4.15Å; V209-W219 HydrophobicContact CG2-CB 4.25Å; V209-W219 HydrophobicContact CG2-CE3 4.49Å; V209-W219 PolarHBondContact N-O 3.03Å; V209-W219 PolarHBondContact O-N 2.93Å; Q217-W219 VanDerWaalsContact C-N 3.27Å; Q217-W219 PolarHBondContact O-N 2.74Å; W219-L241 HydrophobicContact CZ2-CD2 4.27Å; W219-L257 HydrophobicContact CD2-CD1 3.88Å; W219-L257 HydrophobicContact CE3-CD1 4.23Å; W219-L257 HydrophobicContact CG-CD1 4.04Å; W219-L257 HydrophobicContact CG-CD2 4.31Å; W219-S258 PolarHBondContact NE1-O 2.64Å; W219-G262 VanDerWaalsContact CD1-N 3.3Å; W219-G262 VanDerWaalsContact CD1-O 3.27Å
220	S	95.1	Very high	94.2	Very high	50 Å²	50	47.4 Å²	47.4	35%	0.35	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120	166.1	-173.8	0	0	0	0	108.2
221	Y	96.1	Very high	94.3	Very high	11 Å²	11	48.7 Å²	48.7	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.6	-176.4	65.5	-86.1	0	0	0	112.6	K206 V207 T223 A255 L257 L263 T267	K206-Y221 WeakPolarHBondContact CA-O 3.44Å; K206-Y221 WeakPolarHBondContact CB-O 3.4Å; V207-Y221 HydrophobicContact CB-CD1 4.48Å; V207-Y221 HydrophobicContact CB-CE1 3.78Å; V207-Y221 HydrophobicContact CB-CE2 4.14Å; V207-Y221 HydrophobicContact CG1-CE1 3.78Å; V207-Y221 PolarHBondContact N-O 3.1Å; V207-Y221 PolarHBondContact O-N 3.19Å; Y221-T223 HydrophobicContact CE2-CG2 4.07Å; Y221-A255 HydrophobicContact CD2-CB 4.47Å; Y221-A255 HydrophobicContact CE1-CB 4.46Å; Y221-A255 HydrophobicContact CE2-CB 3.54Å; Y221-A255 VanDerWaalsContact OH-CB 3.3Å; Y221-A255 WeakPolarHBondContact OH-CB 3.45Å; Y221-L257 HydrophobicContact CD1-CD2 4Å; Y221-L257 HydrophobicContact CE1-CD2 3.62Å; Y221-L263 HydrophobicContact CD1-CD2 4.49Å; Y221-L263 HydrophobicContact CD2-CD1 3.98Å; Y221-L263 HydrophobicContact CD2-CD2 3.83Å; Y221-L263 HydrophobicContact CD2-CG 4.06Å; Y221-L263 HydrophobicContact CE2-CD2 4.18Å; Y221-L263 HydrophobicContact CG-CD1 4.24Å; Y221-L263 HydrophobicContact CG-CD2 4Å; Y221-L263 HydrophobicContact CG-CG 3.97Å; Y221-T267 HydrophobicContact CE2-CG2 4.47Å
222	R	96.4	Very high	94.5	Very high	164 Å²	164	47.4 Å²	47.4	62%	0.619	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.9	166.3	-71	-164.2	171.9	-71.8	5	108.7	D204 K206 G224	D204-R222 PolarHBondContact O-NH1 2.81Å; K206-R222 HydrophobicContact CG-CG 4.35Å; R222-G224 VanDerWaalsContact C-N 3.25Å; R222-G224 PolarHBondContact O-N 2.96Å
223	T	96.6	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.			trans	-71.4	-19.3	-176.4	56.2	0	0	0	0	114	L205 V207 Y221 H225 I229 R253 T267	L205-T223 PolarHBondContact O-N 3.48Å; L205-T223 PolarHBondContact O-OG1 3.39Å; V207-T223 HydrophobicContact CB-CG2 4.2Å; V207-T223 HydrophobicContact CG2-CG2 3.63Å; Y221-T223 HydrophobicContact CE2-CG2 4.07Å; T223-H225 WeakPolarHBondContact OG1-CB 3.2Å; T223-H225 PolarHBondContact OG1-CD2 3.26Å; T223-H225 VanDerWaalsContact OG1-CD2 3.31Å; T223-H225 PolarHBondContact OG1-N 3.09Å; T223-H225 VanDerWaalsContact OG1-N 3.12Å; T223-I229 HydrophobicContact CG2-CD1 3.54Å; T223-R253 WeakPolarHBondContact O-CD 3.42Å; T223-T267 WeakPolarHBondContact O-CB 3.36Å; T223-T267 VanDerWaalsContact O-CG2 3.3Å; T223-T267 WeakPolarHBondContact O-CG2 3.27Å; T223-T267 PolarHBondContact O-OG1 3.18Å
224	G	95.6	Very high	95.3	Very high	41 Å²	41	48 Å²	48	42%	0.423	26%	0.261	S	S	.	.	S	Bend	trans	79.9	-0.1	-168.2	0	0	0	0	0	114	R222 R253	R222-G224 VanDerWaalsContact C-N 3.25Å; R222-G224 PolarHBondContact O-N 2.96Å; G224-R253 PolarHBondContact O-NH1 3.5Å; G224-R253 PolarHBondContact O-NH2 3.24Å
225	H	97.6	Very high	95.6	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.032	25%	0.245	C	C	.	.			trans	-65	152.4	162.2	-70.5	-66.2	0	0	0	110.5	T223 S245 A247 D249 E251	T223-H225 WeakPolarHBondContact OG1-CB 3.2Å; T223-H225 PolarHBondContact OG1-CD2 3.26Å; T223-H225 VanDerWaalsContact OG1-CD2 3.31Å; T223-H225 PolarHBondContact OG1-N 3.09Å; T223-H225 VanDerWaalsContact OG1-N 3.12Å; H225-S245 PolarHBondContact CD2-OG 3.38Å; H225-S245 PolarHBondContact NE2-OG 2.78Å; H225-A247 HydrophobicContact CB-CB 4.06Å; H225-A247 WeakPolarHBondContact ND1-CB 3.3Å; H225-D249 WeakPolarHBondContact CA-OD2 3.46Å; H225-D249 WeakPolarHBondContact CB-OD2 3.35Å; H225-D249 IonicContact CE1-OD1 3.27Å; H225-D249 IonicContact CG-OD2 3.73Å; H225-D249 IonicContact ND1-OD1 3.73Å; H225-D249 PolarHBondContact ND1-OD1 2.99Å; H225-D249 VanDerWaalsContact ND1-OD1 3.11Å; H225-D249 IonicContact ND1-OD2 2.69Å; H225-D249 PolarHBondContact ND1-OD2 2.84Å; H225-E251 PolarHBondContact CE1-O 3.45Å; H225-E251 VanDerWaalsContact CE1-O 3.32Å
226	C	96.9	Very high	95.9	Very high	86 Å²	86	45.7 Å²	45.7	58%	0.581	24%	0.24	S	C	*	.	S	Bend	trans	-110.5	-5.8	177.7	67.2	0	0	0	0	114.5	D249	C226-D249 PolarHBondContact N-OD2 2.96Å; C226-D249 VanDerWaalsContact SG-CB 3.51Å
227	M	97.2	Very high	95.9	Very high	76 Å²	76	47.6 Å²	47.6	37%	0.374	25%	0.249	S	C	.	.	S	Bend	trans	-136.2	171	175	-56.2	-92.4	84	0	0	110.3	L205 I229 C248 D249	L205-M227 VanDerWaalsContact CD2-O 3.23Å; L205-M227 WeakPolarHBondContact CD2-O 3.47Å; M227-I229 PolarHBondContact O-N 3.23Å; M227-C248 HydrophobicContact CB-CB 3.8Å; M227-D249 HydrophobicContact CB-CB 3.99Å; M227-D249 HydrophobicContact CG-CB 3.95Å
228	N	96	Very high	95.9	Very high	53 Å²	53	43.8 Å²	43.8	28%	0.283	23%	0.233	S	C	.	.			trans	-42.6	128.8	-175.2	-53.2	43.2	0	0	0	113.7	D203 F230 A247 C248	D203-N228 VanDerWaalsContact OD1-CB 3.29Å; D203-N228 WeakPolarHBondContact OD1-CB 3.47Å; D203-N228 VanDerWaalsContact OD1-CG 3.3Å; D203-N228 PolarHBondContact OD1-ND2 2.99Å; D203-N228 PolarHBondContact OD2-ND2 3.03Å; N228-F230 HydrophobicContact CB-CD1 4.47Å; N228-F230 HydrophobicContact CB-CE1 3.97Å; N228-A247 CarbonylContact O-C 3.6Å; N228-A247 VanDerWaalsContact O-CA 3.27Å; N228-A247 WeakPolarHBondContact O-CA 3.18Å; N228-A247 VanDerWaalsContact O-CB 3.23Å; N228-A247 WeakPolarHBondContact O-CB 3.33Å; N228-C248 HydrophobicContact CB-CB 4.5Å; N228-C248 PolarHBondContact O-N 3.08Å
229	I	97.8	Very high	95.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.4	174.1	-62.3	163	0	0	0	108.4	N187 K206 V207 T223 M227 V232	N187-I229 WeakPolarHBondContact CB-O 3.38Å; N187-I229 PolarHBondContact ND2-O 2.54Å; K206-I229 WeakPolarHBondContact O-CD1 3.46Å; V207-I229 HydrophobicContact CG2-CD1 4.34Å; T223-I229 HydrophobicContact CG2-CD1 3.54Å; M227-I229 PolarHBondContact O-N 3.23Å; I229-V232 HydrophobicContact CG2-CG1 3.87Å
230	F	96.7	Very high	95.8	Very high	51 Å²	51	47.2 Å²	47.2	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-22.9	-178.1	-67.5	-33	0	0	0	113.6	N228 C246 C248 A276 H278	N228-F230 HydrophobicContact CB-CD1 4.47Å; N228-F230 HydrophobicContact CB-CE1 3.97Å; F230-C246 PolarHBondContact N-O 3.29Å; F230-C248 HydrophobicContact CD2-CB 4.29Å; F230-C248 HydrophobicContact CE1-CB 4.45Å; F230-C248 HydrophobicContact CE2-CB 3.45Å; F230-C248 VanDerWaalsContact CE2-CB 3.45Å; F230-C248 HydrophobicContact CZ-CB 3.55Å; F230-A276 HydrophobicContact CE2-CB 4.12Å; F230-H278 AromaticContact CD2-CE1 3.9Å; F230-H278 AromaticContact CD2-ND1 3.41Å; F230-H278 WeakPolarHBondContact CD2-ND1 3.06Å; F230-H278 AromaticContact CE2-CE1 3.5Å; F230-H278 VanDerWaalsContact CE2-CE1 3.5Å; F230-H278 WeakPolarHBondContact CE2-CE1 3.48Å; F230-H278 AromaticContact CE2-ND1 3.5Å; F230-H278 WeakPolarHBondContact CE2-ND1 3.18Å
231	H	97.7	Very high	95.8	Very high	28 Å²	28	47.1 Å²	47.1	13%	0.13	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	145.3	178.3	-150.9	-108.6	0	0	0	111.8	S245 C246 K279 L280	H231-S245 VanDerWaalsContact O-CA 3.3Å; H231-S245 WeakPolarHBondContact O-CA 3.37Å; H231-C246 VanDerWaalsContact CB-SG 3.58Å; H231-C246 PolarHBondContact N-O 3.49Å; H231-C246 PolarHBondContact O-N 3.21Å; H231-K279 WeakPolarHBondContact NE2-CG 3.33Å; H231-L280 PolarHBondContact CE1-O 3.01Å; H231-L280 VanDerWaalsContact CE1-O 3.32Å; H231-L280 PolarHBondContact ND1-N 3.07Å
232	V	98.1	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.4	172.7	-57.9	0	0	0	0	109.1	A188 N190 A199 V207 I229 I243 V244	A188-V232 HydrophobicContact CB-CB 4.5Å; A188-V232 HydrophobicContact CB-CG1 4.15Å; A188-V232 HydrophobicContact CB-CG2 4.03Å; N190-V232 HydrophobicContact CB-CG2 4.32Å; N190-V232 WeakPolarHBondContact CB-O 3.47Å; A199-V232 HydrophobicContact CB-CG2 4.2Å; A199-V232 WeakPolarHBondContact O-CG2 3.42Å; V207-V232 HydrophobicContact CG2-CG1 3.64Å; I229-V232 HydrophobicContact CG2-CG1 3.87Å; V232-I243 HydrophobicContact CB-CG2 4.49Å; V232-V244 CarbonylContact C-O 3.47Å; V232-V244 WeakPolarHBondContact CA-O 3.41Å
233	K	98	Very high	95.9	Very high	53 Å²	53	41.2 Å²	41.2	23%	0.23	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	137.9	168.6	-82.4	-169.5	163.6	158.6	0	112.1	N190 I243 V244 L280 I282	N190-K233 VanDerWaalsContact OD1-CA 3.3Å; N190-K233 WeakPolarHBondContact OD1-CA 3.41Å; K233-I243 CarbonylContact O-C 3.51Å; K233-I243 WeakPolarHBondContact O-CA 3.27Å; K233-V244 HydrophobicContact CB-CG1 4.1Å; K233-V244 PolarHBondContact N-O 2.93Å; K233-V244 PolarHBondContact O-N 3.14Å; K233-L280 PolarHBondContact NZ-O 3.14Å; K233-I282 HydrophobicContact CB-CD1 4.07Å; K233-I282 HydrophobicContact CD-CD1 4.19Å; K233-I282 HydrophobicContact CD-CG1 4.28Å
234	F	97.6	Very high	96	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142	158.8	-75.6	-81.8	0	0	0	110.1	N190 N192 L197 A199 V209 D240 I243 I282	N190-F234 VanDerWaalsContact O-CE2 3.32Å; N190-F234 WeakPolarHBondContact O-CE2 3.32Å; N190-F234 PolarHBondContact OD1-N 3.41Å; N192-F234 HydrophobicContact CB-CD1 4.15Å; N192-F234 HydrophobicContact CB-CD2 3.77Å; N192-F234 HydrophobicContact CB-CE1 4.18Å; N192-F234 HydrophobicContact CB-CE2 3.79Å; N192-F234 HydrophobicContact CB-CG 3.94Å; N192-F234 HydrophobicContact CB-CZ 4Å; L197-F234 HydrophobicContact CB-CZ 4.03Å; A199-F234 HydrophobicContact CB-CD2 4.24Å; A199-F234 HydrophobicContact CB-CE2 3.61Å; A199-F234 HydrophobicContact CB-CZ 4.01Å; V209-F234 HydrophobicContact CG1-CE1 4.48Å; V209-F234 HydrophobicContact CG1-CZ 3.83Å; V209-F234 HydrophobicContact CG2-CZ 4.44Å; F234-D240 HydrophobicContact CD1-CB 4.33Å; F234-D240 HydrophobicContact CE1-CB 4.2Å; F234-I243 HydrophobicContact CD1-CD1 4.11Å; F234-I243 HydrophobicContact CD1-CG1 3.74Å; F234-I243 HydrophobicContact CE1-CD1 3.74Å; F234-I243 HydrophobicContact CE1-CG1 3.9Å; F234-I243 HydrophobicContact CG-CG1 4.32Å; F234-I243 HydrophobicContact CZ-CD1 4.08Å; F234-I282 WeakPolarHBondContact O-CD1 3.34Å
235	I	97	Very high	96.1	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-84.2	121.1	168.2	-57.3	-53	0	0	0	107.8	S238 Q242 V244 L254 I282 P287 V290 L304	I235-S238 VanDerWaalsContact O-CB 3.28Å; I235-S238 WeakPolarHBondContact O-CB 3.01Å; I235-S238 PolarHBondContact O-N 2.92Å; I235-S238 PolarHBondContact O-OG 3.27Å; I235-Q242 HydrophobicContact CB-CB 3.91Å; I235-Q242 HydrophobicContact CG1-CB 3.83Å; I235-Q242 PolarHBondContact N-O 3.07Å; I235-V244 HydrophobicContact CD1-CB 4.04Å; I235-V244 HydrophobicContact CD1-CG1 3.64Å; I235-L254 HydrophobicContact CG1-CD1 4.12Å; I235-I282 HydrophobicContact CD1-CD1 3.78Å; I235-P287 WeakPolarHBondContact CG2-O 3.17Å; I235-V290 HydrophobicContact CD1-CG2 3.95Å; I235-L304 HydrophobicContact CB-CD1 4.5Å; I235-L304 HydrophobicContact CD1-CD1 3.76Å; I235-L304 HydrophobicContact CG1-CD1 3.84Å; I235-L304 HydrophobicContact CG2-CD1 3.82Å
236	P	93.4	Very high	96.1	Very high	43 Å²	43	39 Å²	39	28%	0.279	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	158.1	176.1	-18.3	30.3	0	0	0	111.3	S238 I282 P287	P236-S238 PolarHBondContact O-N 3.48Å; P236-I282 HydrophobicContact CG-CG2 4.41Å; P236-P287 HydrophobicContact CB-CB 4.13Å; P236-P287 VanDerWaalsContact O-CB 3.3Å; P236-P287 WeakPolarHBondContact O-CB 3.45Å
237	E	90.7	Very high	96.2	Very high	160 Å²	160	35 Å²	35	75%	0.748	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	1.8	-178.5	-62.4	166.9	-132.7	0	0	115.5	N239 P287	E237-N239 VanDerWaalsContact C-N 3.26Å; E237-N239 PolarHBondContact O-N 3.13Å; E237-P287 HydrophobicContact CB-CB 4.36Å; E237-P287 HydrophobicContact CB-CG 4.37Å; E237-P287 HydrophobicContact CG-CG 4.43Å
238	S	92.3	Very high	96.1	Very high	20 Å²	20	33.2 Å²	33.2	14%	0.14	17%	0.171	C	C	.	.	S	Bend	trans	-82.5	10.2	179.9	73	0	0	0	0	115.4	I235 P236 D240 L241 Q242	I235-S238 VanDerWaalsContact O-CB 3.28Å; I235-S238 WeakPolarHBondContact O-CB 3.01Å; I235-S238 PolarHBondContact O-N 2.92Å; I235-S238 PolarHBondContact O-OG 3.27Å; P236-S238 PolarHBondContact O-N 3.48Å; S238-D240 PolarHBondContact O-N 3.08Å; S238-L241 WeakPolarHBondContact O-CB 3.46Å; S238-L241 PolarHBondContact O-N 3.4Å; S238-L241 VanDerWaalsContact O-N 3.07Å; S238-Q242 PolarHBondContact OG-N 3.46Å
239	N	91.9	Very high	96.2	Very high	116 Å²	116	31.4 Å²	31.4	62%	0.62	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	33.8	-165.9	-76.1	-38.7	0	0	0	113.7	E237 L241	E237-N239 VanDerWaalsContact C-N 3.26Å; E237-N239 PolarHBondContact O-N 3.13Å; N239-L241 PolarHBondContact O-N 3.24Å
240	D	93.5	Very high	96.1	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	9.6	-176.8	-48.1	-42	0	0	0	114.2	N192 R194 L197 F234 S238	N192-D240 WeakPolarHBondContact CB-OD1 3.35Å; N192-D240 PolarHBondContact ND2-OD1 2.63Å; N192-D240 PolarHBondContact ND2-OD2 3.27Å; R194-D240 IonicContact CZ-OD2 4Å; R194-D240 IonicContact NH1-OD1 3.42Å; R194-D240 IonicContact NH1-OD2 3.69Å; R194-D240 PolarHBondContact NH1-OD2 2.97Å; L197-D240 HydrophobicContact CD1-CB 4.19Å; F234-D240 HydrophobicContact CD1-CB 4.33Å; F234-D240 HydrophobicContact CE1-CB 4.2Å; S238-D240 PolarHBondContact O-N 3.08Å
241	L	95.2	Very high	96.2	Very high	49 Å²	49	30.7 Å²	30.7	26%	0.257	16%	0.161	S	C	.	.			trans	-89.9	0.4	-177.6	-59	177.6	0	0	0	114.5	W219 S238 N239 L257 P259	W219-L241 HydrophobicContact CZ2-CD2 4.27Å; S238-L241 WeakPolarHBondContact O-CB 3.46Å; S238-L241 PolarHBondContact O-N 3.4Å; S238-L241 VanDerWaalsContact O-N 3.07Å; N239-L241 PolarHBondContact O-N 3.24Å; L241-L257 HydrophobicContact CD2-CB 4.41Å; L241-L257 PolarHBondContact O-N 3.48Å; L241-P259 HydrophobicContact CD1-CG 3.91Å; L241-P259 HydrophobicContact CD2-CG 4.05Å
242	Q	96.3	Very high	96.2	Very high	50 Å²	50	29.4 Å²	29.4	23%	0.234	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.6	175.8	-65.2	-172.3	29.5	0	0	112.2	I235 S238 L254 A255 Q256	I235-Q242 HydrophobicContact CB-CB 3.91Å; I235-Q242 HydrophobicContact CG1-CB 3.83Å; I235-Q242 PolarHBondContact N-O 3.07Å; S238-Q242 PolarHBondContact OG-N 3.46Å; Q242-L254 HydrophobicContact CB-CD1 4.29Å; Q242-A255 WeakPolarHBondContact CA-O 3.24Å; Q242-Q256 HydrophobicContact CG-CG 4.35Å
243	I	97.8	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.2	176.7	-63.5	178.2	0	0	0	108.7	A199 V207 V209 V232 K233 F234 A255 L257	A199-I243 HydrophobicContact CB-CD1 3.98Å; V207-I243 HydrophobicContact CG1-CD1 4.4Å; V209-I243 HydrophobicContact CG2-CD1 3.42Å; V209-I243 VanDerWaalsContact CG2-CD1 3.42Å; V232-I243 HydrophobicContact CB-CG2 4.49Å; K233-I243 CarbonylContact O-C 3.51Å; K233-I243 WeakPolarHBondContact O-CA 3.27Å; F234-I243 HydrophobicContact CD1-CD1 4.11Å; F234-I243 HydrophobicContact CD1-CG1 3.74Å; F234-I243 HydrophobicContact CE1-CD1 3.74Å; F234-I243 HydrophobicContact CE1-CG1 3.9Å; F234-I243 HydrophobicContact CG-CG1 4.32Å; F234-I243 HydrophobicContact CZ-CD1 4.08Å; I243-A255 PolarHBondContact N-O 2.94Å; I243-A255 PolarHBondContact O-N 3.4Å; I243-L257 HydrophobicContact CD1-CD1 3.96Å; I243-L257 HydrophobicContact CG1-CD1 4.35Å
244	V	98	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.3	171.1	64.3	0	0	0	0	110.5	V232 K233 I235 V252 R253 L254 L270 L280 V290	V232-V244 CarbonylContact C-O 3.47Å; V232-V244 WeakPolarHBondContact CA-O 3.41Å; K233-V244 HydrophobicContact CB-CG1 4.1Å; K233-V244 PolarHBondContact N-O 2.93Å; K233-V244 PolarHBondContact O-N 3.14Å; I235-V244 HydrophobicContact CD1-CB 4.04Å; I235-V244 HydrophobicContact CD1-CG1 3.64Å; V244-V252 HydrophobicContact CG2-CG1 3.74Å; V244-R253 CarbonylContact C-O 3.52Å; V244-R253 WeakPolarHBondContact CA-O 3.24Å; V244-R253 WeakPolarHBondContact CG2-O 3.41Å; V244-L254 HydrophobicContact CB-CD1 4.4Å; V244-L270 HydrophobicContact CG2-CD1 3.77Å; V244-L280 HydrophobicContact CB-CD1 4.34Å; V244-L280 HydrophobicContact CG1-CD1 3.85Å; V244-L280 HydrophobicContact CG2-CD1 3.85Å; V244-V290 HydrophobicContact CG1-CG1 4.32Å; V244-V290 HydrophobicContact CG1-CG2 4.31Å; V244-V290 HydrophobicContact CG2-CG1 4.3Å
245	S	98.4	Very high	96.1	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152	177.7	60.6	0	0	0	0	112	H225 H231 V252 R253	H225-S245 PolarHBondContact CD2-OG 3.38Å; H225-S245 PolarHBondContact NE2-OG 2.78Å; H231-S245 VanDerWaalsContact O-CA 3.3Å; H231-S245 WeakPolarHBondContact O-CA 3.37Å; S245-V252 CarbonylContact O-C 3.58Å; S245-V252 WeakPolarHBondContact O-CA 3.4Å; S245-R253 PolarHBondContact N-O 3.19Å; S245-R253 PolarHBondContact O-N 2.99Å
246	C	98	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.7	167.4	73.7	0	0	0	0	111.8	F230 H231 E251 V252 C277 L280	F230-C246 PolarHBondContact N-O 3.29Å; H231-C246 VanDerWaalsContact CB-SG 3.58Å; H231-C246 PolarHBondContact N-O 3.49Å; H231-C246 PolarHBondContact O-N 3.21Å; C246-E251 WeakPolarHBondContact CA-O 3.09Å; C246-V252 HydrophobicContact CB-CB 4.5Å; C246-V252 HydrophobicContact CB-CG1 4.44Å; C246-V252 HydrophobicContact CB-CG2 3.96Å; C246-C277 HydrophobicContact CB-CB 3.96Å; C246-C277 PolarHBondContact SG-O 3.23Å; C246-C277 VanDerWaalsContact SG-SG 3.69Å; C246-L280 HydrophobicContact CB-CD1 4.11Å; C246-L280 HydrophobicContact CB-CD2 4.01Å; C246-L280 HydrophobicContact CB-CG 4.09Å
247	A	97.9	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	174.4	-167.2	0	0	0	0	0	113.6	H225 N228 D249 E251 C277	H225-A247 HydrophobicContact CB-CB 4.06Å; H225-A247 WeakPolarHBondContact ND1-CB 3.3Å; N228-A247 CarbonylContact O-C 3.6Å; N228-A247 VanDerWaalsContact O-CA 3.27Å; N228-A247 WeakPolarHBondContact O-CA 3.18Å; N228-A247 VanDerWaalsContact O-CB 3.23Å; N228-A247 WeakPolarHBondContact O-CB 3.33Å; A247-D249 PolarHBondContact O-N 3.24Å; A247-E251 PolarHBondContact N-O 3.49Å; A247-C277 PolarHBondContact O-N 3.37Å; A247-C277 VanDerWaalsContact O-N 3.16Å
248	C	96.4	Very high	96.3	Very high	39 Å²	39	23.8 Å²	23.8	26%	0.264	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	174.1	-163.9	0	0	0	0	113	M227 N228 F230 S250	M227-C248 HydrophobicContact CB-CB 3.8Å; N228-C248 HydrophobicContact CB-CB 4.5Å; N228-C248 PolarHBondContact O-N 3.08Å; F230-C248 HydrophobicContact CD2-CB 4.29Å; F230-C248 HydrophobicContact CE1-CB 4.45Å; F230-C248 HydrophobicContact CE2-CB 3.45Å; F230-C248 VanDerWaalsContact CE2-CB 3.45Å; F230-C248 HydrophobicContact CZ-CB 3.55Å; C248-S250 PolarHBondContact O-N 2.9Å
249	D	96.7	Very high	96.2	Very high	16 Å²	16	27.7 Å²	27.7	9%	0.086	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	9.8	-179	68	10.3	0	0	0	115.6	H225 C226 M227 A247 E251	H225-D249 WeakPolarHBondContact CA-OD2 3.46Å; H225-D249 WeakPolarHBondContact CB-OD2 3.35Å; H225-D249 IonicContact CE1-OD1 3.27Å; H225-D249 IonicContact CG-OD2 3.73Å; H225-D249 IonicContact ND1-OD1 3.73Å; H225-D249 PolarHBondContact ND1-OD1 2.99Å; H225-D249 VanDerWaalsContact ND1-OD1 3.11Å; H225-D249 IonicContact ND1-OD2 2.69Å; H225-D249 PolarHBondContact ND1-OD2 2.84Å; C226-D249 PolarHBondContact N-OD2 2.96Å; C226-D249 VanDerWaalsContact SG-CB 3.51Å; M227-D249 HydrophobicContact CB-CB 3.99Å; M227-D249 HydrophobicContact CG-CB 3.95Å; A247-D249 PolarHBondContact O-N 3.24Å; D249-E251 PolarHBondContact O-N 3.29Å; D249-E251 WeakPolarHBondContact OD1-CB 3.2Å; D249-E251 PolarHBondContact OD1-N 2.96Å
250	S	96.8	Very high	95.8	Very high	15 Å²	15	28.4 Å²	28.4	11%	0.105	16%	0.16	C	C	.	.	S	Bend	trans	68.8	2.8	-175.8	73	0	0	0	0	116.3	C248 H273 R275	C248-S250 PolarHBondContact O-N 2.9Å; S250-H273 WeakPolarHBondContact CB-O 3.32Å; S250-H273 PolarHBondContact O-N 3.45Å; S250-H273 PolarHBondContact OG-O 2.87Å; S250-R275 WeakPolarHBondContact CA-O 2.92Å; S250-R275 WeakPolarHBondContact CB-O 3.39Å
251	E	97.7	Very high	95.3	Very high	21 Å²	21	29 Å²	29	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152.9	-177.5	-61.1	-170.5	171.9	0	0	113.1	H225 C246 A247 D249 R253 L269 K272	H225-E251 PolarHBondContact CE1-O 3.45Å; H225-E251 VanDerWaalsContact CE1-O 3.32Å; C246-E251 WeakPolarHBondContact CA-O 3.09Å; A247-E251 PolarHBondContact N-O 3.49Å; D249-E251 PolarHBondContact O-N 3.29Å; D249-E251 WeakPolarHBondContact OD1-CB 3.2Å; D249-E251 PolarHBondContact OD1-N 2.96Å; E251-R253 HydrophobicContact CB-CG 4.48Å; E251-R253 IonicContact OE2-CZ 3.55Å; E251-R253 IonicContact OE2-NE 2.75Å; E251-R253 PolarHBondContact OE2-NE 3.01Å; E251-R253 IonicContact OE2-NH2 3.62Å; E251-R253 PolarHBondContact OE2-NH2 3.25Å; E251-L269 HydrophobicContact CB-CD1 3.67Å; E251-L269 HydrophobicContact CG-CD1 3.77Å; E251-K272 HydrophobicContact CG-CD 4.03Å; E251-K272 HydrophobicContact CG-CG 4.19Å; E251-K272 IonicContact OE1-NZ 2.76Å; E251-K272 PolarHBondContact OE1-NZ 3.25Å
252	V	98.1	Very high	94.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.3	166.9	-173.8	0	0	0	0	107.4	V244 S245 C246 L270 V271 C277 L280	V244-V252 HydrophobicContact CG2-CG1 3.74Å; S245-V252 CarbonylContact O-C 3.58Å; S245-V252 WeakPolarHBondContact O-CA 3.4Å; C246-V252 HydrophobicContact CB-CB 4.5Å; C246-V252 HydrophobicContact CB-CG1 4.44Å; C246-V252 HydrophobicContact CB-CG2 3.96Å; V252-L270 HydrophobicContact CG1-CB 4.48Å; V252-L270 HydrophobicContact CG1-CD1 4.36Å; V252-L270 WeakPolarHBondContact O-CB 3.44Å; V252-L270 PolarHBondContact O-N 3.17Å; V252-V271 HydrophobicContact CB-CB 4.01Å; V252-V271 HydrophobicContact CB-CG2 4.45Å; V252-V271 HydrophobicContact CG2-CB 3.99Å; V252-V271 PolarHBondContact N-O 3.09Å; V252-V271 PolarHBondContact O-N 2.89Å; V252-C277 HydrophobicContact CG2-CB 4.31Å; V252-L280 HydrophobicContact CG1-CD1 4.33Å; V252-L280 HydrophobicContact CG1-CD2 3.92Å; V252-L280 HydrophobicContact CG2-CD2 4.36Å
253	R	97.9	Very high	94.6	Very high	44 Å²	44	28.5 Å²	28.5	17%	0.166	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143	-170.3	-69.7	179.5	167	-115	2.8	111.8	T223 G224 V244 S245 E251 T267 R268 L269	T223-R253 WeakPolarHBondContact O-CD 3.42Å; G224-R253 PolarHBondContact O-NH1 3.5Å; G224-R253 PolarHBondContact O-NH2 3.24Å; V244-R253 CarbonylContact C-O 3.52Å; V244-R253 WeakPolarHBondContact CA-O 3.24Å; V244-R253 WeakPolarHBondContact CG2-O 3.41Å; S245-R253 PolarHBondContact N-O 3.19Å; S245-R253 PolarHBondContact O-N 2.99Å; E251-R253 HydrophobicContact CB-CG 4.48Å; E251-R253 IonicContact OE2-CZ 3.55Å; E251-R253 IonicContact OE2-NE 2.75Å; E251-R253 PolarHBondContact OE2-NE 3.01Å; E251-R253 IonicContact OE2-NH2 3.62Å; E251-R253 PolarHBondContact OE2-NH2 3.25Å; R253-T267 PolarHBondContact NH1-OG1 2.62Å; R253-T267 VanDerWaalsContact NH1-OG1 3.11Å; R253-R268 WeakPolarHBondContact CA-O 3.43Å; R253-L269 HydrophobicContact CG-CD1 4.3Å
254	L	97.4	Very high	94.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.8	171.9	-175.1	74	0	0	0	110	I235 Q242 V244 T267 R268 L270 L304	I235-L254 HydrophobicContact CG1-CD1 4.12Å; Q242-L254 HydrophobicContact CB-CD1 4.29Å; V244-L254 HydrophobicContact CB-CD1 4.4Å; L254-T267 CarbonylContact O-C 3.49Å; L254-T267 VanDerWaalsContact O-CA 3.3Å; L254-T267 WeakPolarHBondContact O-CA 3.4Å; L254-T267 WeakPolarHBondContact O-CB 3.42Å; L254-R268 HydrophobicContact CB-CB 4.4Å; L254-R268 PolarHBondContact N-O 3.07Å; L254-R268 PolarHBondContact O-N 3.06Å; L254-L270 HydrophobicContact CB-CD1 4.1Å; L254-L270 HydrophobicContact CB-CD2 3.94Å; L254-L270 HydrophobicContact CB-CG 4.04Å; L254-L304 HydrophobicContact CD1-CD1 4.43Å; L254-L304 HydrophobicContact CD1-CD2 4.31Å; L254-L304 HydrophobicContact CD2-CD2 4.38Å
255	A	97.5	Very high	94	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.2	164.8	0	0	0	0	0	110.2	Y221 Q242 I243 L257 L263 T267	Y221-A255 HydrophobicContact CD2-CB 4.47Å; Y221-A255 HydrophobicContact CE1-CB 4.46Å; Y221-A255 HydrophobicContact CE2-CB 3.54Å; Y221-A255 VanDerWaalsContact OH-CB 3.3Å; Y221-A255 WeakPolarHBondContact OH-CB 3.45Å; Q242-A255 WeakPolarHBondContact CA-O 3.24Å; I243-A255 PolarHBondContact N-O 2.94Å; I243-A255 PolarHBondContact O-N 3.4Å; A255-L257 HydrophobicContact CB-CD2 4.44Å; A255-L263 HydrophobicContact CB-CD2 3.78Å; A255-T267 HydrophobicContact CB-CG2 4.15Å
256	Q	96.4	Very high	93.7	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.5	164.1	-63.2	-174.3	-39.4	0	0	107.6	Q242 A264 C265	Q242-Q256 HydrophobicContact CG-CG 4.35Å; Q256-A264 HydrophobicContact CB-CB 4.41Å; Q256-A264 PolarHBondContact O-N 3.33Å; Q256-C265 PolarHBondContact OE1-SG 3.3Å
257	L	96	Very high	93.6	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-87.9	143	-178	-53	-177	0	0	0	109.9	V209 W219 Y221 L241 I243 A255 L263	V209-L257 HydrophobicContact CG2-CD1 4.44Å; W219-L257 HydrophobicContact CD2-CD1 3.88Å; W219-L257 HydrophobicContact CE3-CD1 4.23Å; W219-L257 HydrophobicContact CG-CD1 4.04Å; W219-L257 HydrophobicContact CG-CD2 4.31Å; Y221-L257 HydrophobicContact CD1-CD2 4Å; Y221-L257 HydrophobicContact CE1-CD2 3.62Å; L241-L257 HydrophobicContact CD2-CB 4.41Å; L241-L257 PolarHBondContact O-N 3.48Å; I243-L257 HydrophobicContact CD1-CD1 3.96Å; I243-L257 HydrophobicContact CG1-CD1 4.35Å; A255-L257 HydrophobicContact CB-CD2 4.44Å; L257-L263 HydrophobicContact CD2-CD2 4.25Å
258	S	92.6	Very high	93.5	Very high	23 Å²	23	44.7 Å²	44.7	16%	0.161	28%	0.275	C	S	.	.			trans	-85.1	137.7	168.9	-176.9	0	0	0	0	109.9	W219 T260 G261 G262	W219-S258 PolarHBondContact NE1-O 2.64Å; S258-T260 PolarHBondContact O-N 3.09Å; S258-T260 VanDerWaalsContact O-N 3.09Å; S258-T260 PolarHBondContact OG-N 2.98Å; S258-T260 PolarHBondContact OG-OG1 2.92Å; S258-G261 WeakPolarHBondContact CB-O 3.35Å; S258-G261 PolarHBondContact O-N 3.42Å; S258-G262 PolarHBondContact N-O 3.08Å
259	P	89.1	Confident	93.5	Very high	103 Å²	103	46.7 Å²	46.7	67%	0.669	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.1	167.9	-25.2	34.7	0	0	0	114.1	L241 G261	L241-P259 HydrophobicContact CD1-CG 3.91Å; L241-P259 HydrophobicContact CD2-CG 4.05Å; P259-G261 VanDerWaalsContact C-N 3.26Å; P259-G261 PolarHBondContact O-N 3.33Å
260	T	84.8	Confident	93.5	Very high	130 Å²	130	47 Å²	47	80%	0.798	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	11.1	176	66.8	0	0	0	0	113.7	S258	S258-T260 PolarHBondContact O-N 3.09Å; S258-T260 VanDerWaalsContact O-N 3.09Å; S258-T260 PolarHBondContact OG-N 2.98Å; S258-T260 PolarHBondContact OG-OG1 2.92Å
261	G	82.8	Confident	93.5	Very high	31 Å²	31	46.6 Å²	46.6	32%	0.32	28%	0.281	S	S	.	.	S	Bend	trans	82.2	156.3	-168.7	0	0	0	0	0	113.2	S258 P259	S258-G261 WeakPolarHBondContact CB-O 3.35Å; S258-G261 PolarHBondContact O-N 3.42Å; P259-G261 VanDerWaalsContact C-N 3.26Å; P259-G261 PolarHBondContact O-N 3.33Å
262	G	84.9	Confident	93.4	Very high	30 Å²	30	51.3 Å²	51.3	31%	0.309	30%	0.302	S	S	.	.	S	Bend	trans	74	-171.7	-176.7	0	0	0	0	0	115.2	W219 S258	W219-G262 VanDerWaalsContact CD1-N 3.3Å; W219-G262 VanDerWaalsContact CD1-O 3.27Å; S258-G262 PolarHBondContact N-O 3.08Å
263	L	91.6	Very high	93.3	Very high	59 Å²	59	51.6 Å²	51.6	31%	0.309	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-84.4	136.6	176.3	-75.8	171.2	0	0	0	111	Y221 A255 L257 T267	Y221-L263 HydrophobicContact CD1-CD2 4.49Å; Y221-L263 HydrophobicContact CD2-CD1 3.98Å; Y221-L263 HydrophobicContact CD2-CD2 3.83Å; Y221-L263 HydrophobicContact CD2-CG 4.06Å; Y221-L263 HydrophobicContact CE2-CD2 4.18Å; Y221-L263 HydrophobicContact CG-CD1 4.24Å; Y221-L263 HydrophobicContact CG-CD2 4Å; Y221-L263 HydrophobicContact CG-CG 3.97Å; A255-L263 HydrophobicContact CB-CD2 3.78Å; L257-L263 HydrophobicContact CD2-CD2 4.25Å; L263-T267 HydrophobicContact CD1-CG2 4.19Å; L263-T267 HydrophobicContact CD2-CG2 4.36Å
264	A	91.8	Very high	93.2	Very high	67 Å²	67	53.8 Å²	53.8	55%	0.554	33%	0.325	S	S	*	.	S	Bend	trans	-75	-29.4	170.6	0	0	0	0	0	112.3	Q256	Q256-A264 HydrophobicContact CB-CB 4.41Å; Q256-A264 PolarHBondContact O-N 3.33Å
265	C	91.1	Very high	93.1	Very high	41 Å²	41	57.7 Å²	57.7	28%	0.277	34%	0.339	S	S	.	.	S	Bend	trans	-150.2	162.9	176.6	69.8	0	0	0	0	111.2	Q256	Q256-C265 PolarHBondContact OE1-SG 3.3Å
266	P	93	Very high	93	Very high	117 Å²	117	58.3 Å²	58.3	76%	0.76	34%	0.344	S	S	*	.	S	Bend	trans	-55.3	145.7	168.3	-23.6	34.6	0	0	0	111.7	R268	P266-R268 PolarHBondContact O-N 3.33Å
267	T	96.2	Very high	93	Very high	24 Å²	24	54.7 Å²	54.7	15%	0.147	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-64.2	132.4	-174.9	60.2	0	0	0	0	112.3	Y221 T223 R253 L254 A255 L263	Y221-T267 HydrophobicContact CE2-CG2 4.47Å; T223-T267 WeakPolarHBondContact O-CB 3.36Å; T223-T267 VanDerWaalsContact O-CG2 3.3Å; T223-T267 WeakPolarHBondContact O-CG2 3.27Å; T223-T267 PolarHBondContact O-OG1 3.18Å; R253-T267 PolarHBondContact NH1-OG1 2.62Å; R253-T267 VanDerWaalsContact NH1-OG1 3.11Å; L254-T267 CarbonylContact O-C 3.49Å; L254-T267 VanDerWaalsContact O-CA 3.3Å; L254-T267 WeakPolarHBondContact O-CA 3.4Å; L254-T267 WeakPolarHBondContact O-CB 3.42Å; A255-T267 HydrophobicContact CB-CG2 4.15Å; L263-T267 HydrophobicContact CD1-CG2 4.19Å; L263-T267 HydrophobicContact CD2-CG2 4.36Å
268	R	95.3	Very high	92.9	Very high	93 Å²	93	56.2 Å²	56.2	35%	0.351	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.4	-177.6	-173.3	-179.7	75.5	175.7	6.1	109.8	R253 L254 P266 L270 L304	R253-R268 WeakPolarHBondContact CA-O 3.43Å; L254-R268 HydrophobicContact CB-CB 4.4Å; L254-R268 PolarHBondContact N-O 3.07Å; L254-R268 PolarHBondContact O-N 3.06Å; P266-R268 PolarHBondContact O-N 3.33Å; R268-L270 PolarHBondContact O-N 3.37Å; R268-L304 PolarHBondContact NH1-O 2.96Å; R268-L304 VanDerWaalsContact NH1-O 3.12Å; R268-L304 PolarHBondContact NH2-O 2.94Å
269	L	96.5	Very high	93.1	Very high	82 Å²	82	57.4 Å²	57.4	43%	0.429	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	124.9	168.3	-177.8	64	0	0	0	109.5	E251 R253 V271	E251-L269 HydrophobicContact CB-CD1 3.67Å; E251-L269 HydrophobicContact CG-CD1 3.77Å; R253-L269 HydrophobicContact CG-CD1 4.3Å; L269-V271 WeakPolarHBondContact CD1-O 3.38Å
270	L	96.6	Very high	93.5	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-48.7	178.3	-63.2	-173.1	0	0	0	111.7	V244 V252 L254 R268 T302 L304	V244-L270 HydrophobicContact CG2-CD1 3.77Å; V252-L270 HydrophobicContact CG1-CB 4.48Å; V252-L270 HydrophobicContact CG1-CD1 4.36Å; V252-L270 WeakPolarHBondContact O-CB 3.44Å; V252-L270 PolarHBondContact O-N 3.17Å; L254-L270 HydrophobicContact CB-CD1 4.1Å; L254-L270 HydrophobicContact CB-CD2 3.94Å; L254-L270 HydrophobicContact CB-CG 4.04Å; R268-L270 PolarHBondContact O-N 3.37Å; L270-T302 HydrophobicContact CB-CG2 4.25Å; L270-T302 HydrophobicContact CD2-CG2 4.44Å; L270-L304 HydrophobicContact CD1-CD2 3.62Å; L270-L304 HydrophobicContact CD2-CD2 4.07Å
271	V	96.1	Very high	94.1	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.036	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144	-175.1	-174.9	0	0	0	0	108.5	V252 L269 F300 T302 A309	V252-V271 HydrophobicContact CB-CB 4.01Å; V252-V271 HydrophobicContact CB-CG2 4.45Å; V252-V271 HydrophobicContact CG2-CB 3.99Å; V252-V271 PolarHBondContact N-O 3.09Å; V252-V271 PolarHBondContact O-N 2.89Å; L269-V271 WeakPolarHBondContact CD1-O 3.38Å; V271-F300 HydrophobicContact CG1-CB 4.06Å; V271-F300 HydrophobicContact CG1-CD1 4.04Å; V271-F300 HydrophobicContact CG1-CD2 3.47Å; V271-F300 VanDerWaalsContact CG1-CD2 3.47Å; V271-F300 HydrophobicContact CG1-CE1 4.33Å; V271-F300 HydrophobicContact CG1-CE2 3.8Å; V271-F300 HydrophobicContact CG1-CG 3.59Å; V271-F300 HydrophobicContact CG1-CZ 4.22Å; V271-F300 HydrophobicContact CG2-CB 4.03Å; V271-F300 HydrophobicContact CG2-CG 4.35Å; V271-T302 VanDerWaalsContact CG2-OG1 3.27Å; V271-T302 WeakPolarHBondContact CG2-OG1 3.38Å; V271-A309 HydrophobicContact CG2-CB 3.79Å
272	K	96.2	Very high	94.7	Very high	121 Å²	121	46.1 Å²	46.1	53%	0.526	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	110.4	161.7	-170.7	155.9	-167.3	149.2	0	109.1	E251	E251-K272 HydrophobicContact CG-CD 4.03Å; E251-K272 HydrophobicContact CG-CG 4.19Å; E251-K272 IonicContact OE1-NZ 2.76Å; E251-K272 PolarHBondContact OE1-NZ 3.25Å
273	H	96.4	Very high	95.3	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.032	24%	0.244	C	C	.	.			trans	-71.4	175.1	168.1	-75.6	-101.1	0	0	0	109.5	S250 R275 S292 G294 D296 Q298 F300	S250-H273 WeakPolarHBondContact CB-O 3.32Å; S250-H273 PolarHBondContact O-N 3.45Å; S250-H273 PolarHBondContact OG-O 2.87Å; H273-R275 WeakPolarHBondContact CB-O 3.29Å; H273-S292 PolarHBondContact NE2-OG 3.27Å; H273-G294 PolarHBondContact CE1-N 2.81Å; H273-G294 VanDerWaalsContact CE1-N 3.33Å; H273-D296 WeakPolarHBondContact CA-OD2 3.47Å; H273-D296 WeakPolarHBondContact CB-OD2 3.24Å; H273-D296 IonicContact CE1-OD1 3.39Å; H273-D296 IonicContact CG-OD1 3.56Å; H273-D296 IonicContact CG-OD2 3.42Å; H273-D296 IonicContact ND1-OD1 3.92Å; H273-D296 PolarHBondContact ND1-OD1 2.94Å; H273-D296 IonicContact ND1-OD2 3.33Å; H273-D296 PolarHBondContact ND1-OD2 3.43Å; H273-Q298 PolarHBondContact CE1-O 2.77Å; H273-F300 AromaticContact CE1-CD2 3.59Å; H273-F300 AromaticContact CE1-CE2 3.93Å; H273-F300 AromaticContact NE2-CD2 3.68Å
274	S	94	Very high	95.3	Very high	89 Å²	89	46.2 Å²	46.2	62%	0.622	25%	0.252	S	S	*	.	S	Bend	trans	-95.6	-3.5	169.4	58.3	0	0	0	0	114	D296	S274-D296 PolarHBondContact N-OD2 2.88Å; S274-D296 WeakPolarHBondContact OG-CB 3.23Å; S274-D296 PolarHBondContact OG-OD2 3.06Å
275	R	95.4	Very high	95.3	Very high	85 Å²	85	46.6 Å²	46.6	32%	0.321	26%	0.263	S	S	.	.	S	Bend	trans	-145.5	173.9	173.2	-65.1	177.3	66.1	-170.8	5.5	109.8	S250 H273 A295 D296 E319	S250-R275 WeakPolarHBondContact CA-O 2.92Å; S250-R275 WeakPolarHBondContact CB-O 3.39Å; H273-R275 WeakPolarHBondContact CB-O 3.29Å; R275-A295 HydrophobicContact CB-CB 3.99Å; R275-A295 WeakPolarHBondContact CD-O 3.34Å; R275-A295 VanDerWaalsContact CZ-O 3.31Å; R275-A295 PolarHBondContact NH1-O 3.08Å; R275-D296 HydrophobicContact CB-CB 4.09Å; R275-D296 HydrophobicContact CG-CB 4.24Å; R275-E319 IonicContact CZ-OE1 3.49Å; R275-E319 IonicContact CZ-OE2 2.87Å; R275-E319 IonicContact NH1-OE1 3.75Å; R275-E319 PolarHBondContact NH1-OE1 3.41Å; R275-E319 IonicContact NH1-OE2 3.11Å; R275-E319 PolarHBondContact NH1-OE2 2.98Å; R275-E319 VanDerWaalsContact NH2-CD 3.32Å; R275-E319 IonicContact NH2-OE1 3.87Å; R275-E319 PolarHBondContact NH2-OE1 2.86Å; R275-E319 IonicContact NH2-OE2 2.71Å; R275-E319 PolarHBondContact NH2-OE2 3.49Å
276	A	95.7	Very high	95.4	Very high	14 Å²	14	47.8 Å²	47.8	12%	0.116	26%	0.264	C	S	.	.			trans	-45.7	142.2	178.9	0	0	0	0	0	114.1	F230 G294 A295	F230-A276 HydrophobicContact CE2-CB 4.12Å; A276-G294 WeakPolarHBondContact O-CA 3.3Å; A276-A295 PolarHBondContact O-N 2.92Å
277	C	96.8	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.5	172.4	179.3	0	0	0	0	108.9	C246 A247 V252 A293	C246-C277 HydrophobicContact CB-CB 3.96Å; C246-C277 PolarHBondContact SG-O 3.23Å; C246-C277 VanDerWaalsContact SG-SG 3.69Å; A247-C277 PolarHBondContact O-N 3.37Å; A247-C277 VanDerWaalsContact O-N 3.16Å; V252-C277 HydrophobicContact CG2-CB 4.31Å; C277-A293 PolarHBondContact SG-O 3.34Å; C277-A293 VanDerWaalsContact SG-O 3.4Å
278	H	94.4	Very high	95.2	Very high	37 Å²	37	44.4 Å²	44.4	17%	0.171	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-26	-169.3	-68.6	-79.7	0	0	0	114.3	F230 F321	F230-H278 AromaticContact CD2-CE1 3.9Å; F230-H278 AromaticContact CD2-ND1 3.41Å; F230-H278 WeakPolarHBondContact CD2-ND1 3.06Å; F230-H278 AromaticContact CE2-CE1 3.5Å; F230-H278 VanDerWaalsContact CE2-CE1 3.5Å; F230-H278 WeakPolarHBondContact CE2-CE1 3.48Å; F230-H278 AromaticContact CE2-ND1 3.5Å; F230-H278 WeakPolarHBondContact CE2-ND1 3.18Å; H278-F321 WeakPolarHBondContact CB-O 3.31Å; H278-F321 AromaticContact CD2-CD1 3.95Å
279	K	96.1	Very high	95.2	Very high	48 Å²	48	41.1 Å²	41.1	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.6	-174	-144.5	169.6	-168.2	165.1	0	113.8	H231 S322 I323	H231-K279 WeakPolarHBondContact NE2-CG 3.33Å; K279-S322 WeakPolarHBondContact CD-OG 3.41Å; K279-I323 HydrophobicContact CB-CG2 4.31Å; K279-I323 WeakPolarHBondContact O-CG2 3.5Å
280	L	97.4	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139	179.1	-59.1	175.2	0	0	0	112.2	H231 K233 V244 C246 V252 V290	H231-L280 PolarHBondContact CE1-O 3.01Å; H231-L280 VanDerWaalsContact CE1-O 3.32Å; H231-L280 PolarHBondContact ND1-N 3.07Å; K233-L280 PolarHBondContact NZ-O 3.14Å; V244-L280 HydrophobicContact CB-CD1 4.34Å; V244-L280 HydrophobicContact CG1-CD1 3.85Å; V244-L280 HydrophobicContact CG2-CD1 3.85Å; C246-L280 HydrophobicContact CB-CD1 4.11Å; C246-L280 HydrophobicContact CB-CD2 4.01Å; C246-L280 HydrophobicContact CB-CG 4.09Å; V252-L280 HydrophobicContact CG1-CD1 4.33Å; V252-L280 HydrophobicContact CG1-CD2 3.92Å; V252-L280 HydrophobicContact CG2-CD2 4.36Å; L280-V290 HydrophobicContact CD2-CG1 4.3Å
281	S	97.2	Very high	95.3	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.8	172.3	-134.5	0	0	0	0	111.1	L291 S325	S281-L291 PolarHBondContact N-O 3.32Å; S281-L291 PolarHBondContact O-N 3.19Å; S281-S325 WeakPolarHBondContact CB-OG 3.4Å; S281-S325 PolarHBondContact OG-N 3.25Å; S281-S325 PolarHBondContact OG-OG 2.86Å
282	I	96.7	Very high	95.4	Very high	20 Å²	20	36 Å²	36	10%	0.103	20%	0.202	C	C	.	.			trans	-121.3	119	171	-59	176.5	0	0	0	104.3	K233 F234 I235 P236 V290	K233-I282 HydrophobicContact CB-CD1 4.07Å; K233-I282 HydrophobicContact CD-CD1 4.19Å; K233-I282 HydrophobicContact CD-CG1 4.28Å; F234-I282 WeakPolarHBondContact O-CD1 3.34Å; I235-I282 HydrophobicContact CD1-CD1 3.78Å; P236-I282 HydrophobicContact CG-CG2 4.41Å; I282-V290 HydrophobicContact CG1-CG2 4.44Å
283	P	96.2	Very high	95.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	18%	0.179	C	C	.	.			trans	-68.5	138	179.6	-19.6	33.4	0	0	0	111.5	G285 E286 I289 L291 P330	P283-G285 PolarHBondContact O-N 2.79Å; P283-E286 HydrophobicContact CB-CB 4.44Å; P283-E286 PolarHBondContact O-N 3.02Å; P283-E286 VanDerWaalsContact O-N 3.09Å; P283-I289 WeakPolarHBondContact CD-O 3.41Å; P283-I289 HydrophobicContact CG-CG2 4.28Å; P283-L291 HydrophobicContact CG-CD1 4.1Å; P283-L291 HydrophobicContact CG-CG 4.22Å; P283-P330 HydrophobicContact CB-CB 3.9Å
284	N	92.5	Very high	95.3	Very high	89 Å²	89	30.1 Å²	30.1	48%	0.476	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	133.5	177.7	-76.6	9.8	0	0	0	111.1	E286 P327 P330	N284-E286 VanDerWaalsContact C-N 3.28Å; N284-E286 PolarHBondContact O-N 2.96Å; N284-P327 VanDerWaalsContact ND2-CA 3.28Å; N284-P327 WeakPolarHBondContact ND2-CA 3.4Å; N284-P327 VanDerWaalsContact ND2-CB 3.3Å; N284-P327 WeakPolarHBondContact ND2-CB 3.41Å; N284-P327 PolarHBondContact ND2-O 2.97Å; N284-P330 WeakPolarHBondContact O-CB 3.49Å; N284-P330 WeakPolarHBondContact O-CG 3.39Å
285	G	90.9	Very high	95.4	Very high	75 Å²	75	26.1 Å²	26.1	77%	0.773	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	2.3	-176.9	0	0	0	0	0	115.4	P283	P283-G285 PolarHBondContact O-N 2.79Å
286	E	93.1	Very high	95.2	Very high	66 Å²	66	22.8 Å²	22.8	31%	0.308	14%	0.138	S	C	.	.			trans	-131	67.4	177.7	-69.4	-179.3	-166	0	0	111.7	P283 N284 N288 I289 R348	P283-E286 HydrophobicContact CB-CB 4.44Å; P283-E286 PolarHBondContact O-N 3.02Å; P283-E286 VanDerWaalsContact O-N 3.09Å; N284-E286 VanDerWaalsContact C-N 3.28Å; N284-E286 PolarHBondContact O-N 2.96Å; E286-N288 PolarHBondContact O-N 3.42Å; E286-I289 HydrophobicContact CB-CB 4.25Å; E286-I289 HydrophobicContact CB-CG1 4.04Å; E286-I289 PolarHBondContact O-N 3.18Å; E286-R348 IonicContact OE1-CZ 3.21Å; E286-R348 IonicContact OE1-NH1 2.69Å; E286-R348 IonicContact OE1-NH2 3.19Å; E286-R348 PolarHBondContact OE1-NH2 3.07Å; E286-R348 IonicContact OE2-CZ 3.76Å; E286-R348 IonicContact OE2-NH1 2.73Å; E286-R348 PolarHBondContact OE2-NH1 3.27Å; E286-R348 IonicContact OE2-NH2 2.74Å; E286-R348 PolarHBondContact OE2-NH2 2.75Å
287	P	92	Very high	95	Very high	14 Å²	14	22.1 Å²	22.1	9%	0.091	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.8	-175	26.1	-39.1	0	0	0	113.7	I235 P236 E237 I289	I235-P287 WeakPolarHBondContact CG2-O 3.17Å; P236-P287 HydrophobicContact CB-CB 4.13Å; P236-P287 VanDerWaalsContact O-CB 3.3Å; P236-P287 WeakPolarHBondContact O-CB 3.45Å; E237-P287 HydrophobicContact CB-CB 4.36Å; E237-P287 HydrophobicContact CB-CG 4.37Å; E237-P287 HydrophobicContact CG-CG 4.43Å; P287-I289 VanDerWaalsContact C-N 3.26Å; P287-I289 PolarHBondContact O-N 2.88Å
288	N	93.1	Very high	94.9	Very high	57 Å²	57	23.1 Å²	23.1	31%	0.305	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.1	-179.4	-70.4	-79.9	0	0	0	113.7	E286 D303 L304 R305	E286-N288 PolarHBondContact O-N 3.42Å; N288-D303 CarbonylContact O-C 3.59Å; N288-D303 WeakPolarHBondContact O-CA 3.34Å; N288-L304 WeakPolarHBondContact O-CG 3.48Å; N288-L304 PolarHBondContact O-N 3.4Å; N288-R305 HydrophobicContact CB-CG 4.33Å; N288-R305 WeakPolarHBondContact OD1-CD 3.48Å; N288-R305 WeakPolarHBondContact OD1-CG 3.37Å
289	I	96	Very high	94.9	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.118	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.7	-175.8	-56.2	-56.9	0	0	0	110.9	P283 E286 P287 L291 T302 D303	P283-I289 WeakPolarHBondContact CD-O 3.41Å; P283-I289 HydrophobicContact CG-CG2 4.28Å; E286-I289 HydrophobicContact CB-CB 4.25Å; E286-I289 HydrophobicContact CB-CG1 4.04Å; E286-I289 PolarHBondContact O-N 3.18Å; P287-I289 VanDerWaalsContact C-N 3.26Å; P287-I289 PolarHBondContact O-N 2.88Å; I289-L291 HydrophobicContact CG2-CD2 4.07Å; I289-T302 WeakPolarHBondContact CA-O 3.49Å; I289-D303 HydrophobicContact CD1-CB 3.81Å
290	V	97.4	Very high	95	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.6	170.8	-176.1	0	0	0	0	109.9	I235 V244 L280 I282 T302 L304	I235-V290 HydrophobicContact CD1-CG2 3.95Å; V244-V290 HydrophobicContact CG1-CG1 4.32Å; V244-V290 HydrophobicContact CG1-CG2 4.31Å; V244-V290 HydrophobicContact CG2-CG1 4.3Å; L280-V290 HydrophobicContact CD2-CG1 4.3Å; I282-V290 HydrophobicContact CG1-CG2 4.44Å; V290-T302 PolarHBondContact N-O 3.47Å; V290-T302 PolarHBondContact O-N 3.09Å; V290-L304 HydrophobicContact CG2-CD1 4.13Å; V290-L304 HydrophobicContact CG2-CD2 3.97Å; V290-L304 HydrophobicContact CG2-CG 4.15Å
291	L	97.6	Very high	94.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.1	170.1	-53.1	-176.7	0	0	0	110.2	S281 P283 I289 F300 I323 F333	S281-L291 PolarHBondContact N-O 3.32Å; S281-L291 PolarHBondContact O-N 3.19Å; P283-L291 HydrophobicContact CG-CD1 4.1Å; P283-L291 HydrophobicContact CG-CG 4.22Å; I289-L291 HydrophobicContact CG2-CD2 4.07Å; L291-F300 WeakPolarHBondContact CA-O 3.41Å; L291-I323 HydrophobicContact CB-CD1 3.74Å; L291-I323 HydrophobicContact CD1-CD1 4.33Å; L291-F333 HydrophobicContact CD1-CB 4.38Å; L291-F333 HydrophobicContact CD1-CG 4.4Å
292	S	97.7	Very high	94.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.7	173.6	69.8	0	0	0	0	111.1	H273 V299 F300	H273-S292 PolarHBondContact NE2-OG 3.27Å; S292-V299 VanDerWaalsContact O-CA 3.3Å; S292-V299 WeakPolarHBondContact O-CA 3.14Å; S292-V299 WeakPolarHBondContact O-CG1 3.08Å; S292-F300 PolarHBondContact N-O 3.27Å; S292-F300 PolarHBondContact O-N 3.22Å
293	A	96.2	Very high	94.8	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.025	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.9	176.2	0	0	0	0	0	110.2	C277 V299 F320 I323 L335	C277-A293 PolarHBondContact SG-O 3.34Å; C277-A293 VanDerWaalsContact SG-O 3.4Å; A293-V299 HydrophobicContact CB-CG2 4.28Å; A293-F320 HydrophobicContact CB-CB 3.98Å; A293-F320 HydrophobicContact CB-CD2 4.13Å; A293-F320 HydrophobicContact CB-CG 4.37Å; A293-I323 HydrophobicContact CB-CB 3.84Å; A293-I323 HydrophobicContact CB-CD1 4.24Å; A293-I323 HydrophobicContact CB-CG2 3.87Å; A293-L335 HydrophobicContact CB-CD2 4.11Å
294	G	95.4	Very high	94.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	162.8	-176.1	0	0	0	0	0	114.2	H273 A276 D296 G297 Q298 F320	H273-G294 PolarHBondContact CE1-N 2.81Å; H273-G294 VanDerWaalsContact CE1-N 3.33Å; A276-G294 WeakPolarHBondContact O-CA 3.3Å; G294-D296 WeakPolarHBondContact CA-OD1 3.28Å; G294-D296 PolarHBondContact O-N 3.26Å; G294-G297 PolarHBondContact O-N 3.17Å; G294-G297 VanDerWaalsContact O-N 3.1Å; G294-Q298 PolarHBondContact N-O 3.32Å; G294-Q298 VanDerWaalsContact N-O 3.16Å; G294-F320 WeakPolarHBondContact O-CB 3.37Å; G294-F320 PolarHBondContact O-N 3.08Å
295	A	94.7	Very high	94.8	Very high	5 Å²	5	25.8 Å²	25.8	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-1.3	169	0	0	0	0	0	113.2	R275 A276 E319	R275-A295 HydrophobicContact CB-CB 3.99Å; R275-A295 WeakPolarHBondContact CD-O 3.34Å; R275-A295 VanDerWaalsContact CZ-O 3.31Å; R275-A295 PolarHBondContact NH1-O 3.08Å; A276-A295 PolarHBondContact O-N 2.92Å; A295-E319 HydrophobicContact CB-CB 4.31Å
296	D	92.8	Very high	94.9	Very high	15 Å²	15	26.3 Å²	26.3	8%	0.08	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.1	171.5	65.6	-12.4	0	0	0	114	H273 S274 R275 G294 Q298	H273-D296 WeakPolarHBondContact CA-OD2 3.47Å; H273-D296 WeakPolarHBondContact CB-OD2 3.24Å; H273-D296 IonicContact CE1-OD1 3.39Å; H273-D296 IonicContact CG-OD1 3.56Å; H273-D296 IonicContact CG-OD2 3.42Å; H273-D296 IonicContact ND1-OD1 3.92Å; H273-D296 PolarHBondContact ND1-OD1 2.94Å; H273-D296 IonicContact ND1-OD2 3.33Å; H273-D296 PolarHBondContact ND1-OD2 3.43Å; S274-D296 PolarHBondContact N-OD2 2.88Å; S274-D296 WeakPolarHBondContact OG-CB 3.23Å; S274-D296 PolarHBondContact OG-OD2 3.06Å; R275-D296 HydrophobicContact CB-CB 4.09Å; R275-D296 HydrophobicContact CG-CB 4.24Å; G294-D296 WeakPolarHBondContact CA-OD1 3.28Å; G294-D296 PolarHBondContact O-N 3.26Å; D296-Q298 PolarHBondContact O-N 3.19Å; D296-Q298 WeakPolarHBondContact OD1-CB 3.48Å; D296-Q298 PolarHBondContact OD1-N 3.43Å; D296-Q298 VanDerWaalsContact OD1-N 3.14Å; D296-Q298 PolarHBondContact OD2-NE2 3.13Å
297	G	91.2	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	70.9	11.6	-179.8	0	0	0	0	0	113.7	G294 W314 L315 S318 F320	G294-G297 PolarHBondContact O-N 3.17Å; G294-G297 VanDerWaalsContact O-N 3.1Å; G297-W314 CarbonylContact O-C 3.5Å; G297-W314 WeakPolarHBondContact O-CA 3.37Å; G297-L315 WeakPolarHBondContact CA-O 3.2Å; G297-L315 PolarHBondContact O-N 2.85Å; G297-S318 WeakPolarHBondContact CA-O 3.39Å; G297-S318 PolarHBondContact N-O 3.01Å; G297-F320 WeakPolarHBondContact O-CE2 3.29Å
298	Q	94	Very high	94.4	Very high	21 Å²	21	37.1 Å²	37.1	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.3	176.4	-60.2	-176.1	72.6	0	0	110.3	H273 G294 D296 F300 W314	H273-Q298 PolarHBondContact CE1-O 2.77Å; G294-Q298 PolarHBondContact N-O 3.32Å; G294-Q298 VanDerWaalsContact N-O 3.16Å; D296-Q298 PolarHBondContact O-N 3.19Å; D296-Q298 WeakPolarHBondContact OD1-CB 3.48Å; D296-Q298 PolarHBondContact OD1-N 3.43Å; D296-Q298 VanDerWaalsContact OD1-N 3.14Å; D296-Q298 PolarHBondContact OD2-NE2 3.13Å; Q298-F300 HydrophobicContact CB-CD2 4.29Å; Q298-F300 HydrophobicContact CB-CE2 3.75Å; Q298-W314 VanDerWaalsContact CG-CD1 3.49Å; Q298-W314 HydrophobicContact CG-CG 4.2Å
299	V	95.6	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	166.8	-174.3	0	0	0	0	108.5	S292 A293 L312 L313 F320 I323 F333 L335	S292-V299 VanDerWaalsContact O-CA 3.3Å; S292-V299 WeakPolarHBondContact O-CA 3.14Å; S292-V299 WeakPolarHBondContact O-CG1 3.08Å; A293-V299 HydrophobicContact CB-CG2 4.28Å; V299-L312 HydrophobicContact CG1-CD2 4.4Å; V299-L312 PolarHBondContact O-N 3.08Å; V299-L313 HydrophobicContact CB-CB 4.15Å; V299-L313 HydrophobicContact CG2-CB 4.3Å; V299-L313 PolarHBondContact N-O 3.09Å; V299-L313 PolarHBondContact O-N 3.36Å; V299-F320 HydrophobicContact CG2-CD2 4.16Å; V299-F320 HydrophobicContact CG2-CE2 3.8Å; V299-I323 HydrophobicContact CG1-CD1 3.92Å; V299-F333 HydrophobicContact CG1-CE2 4.06Å; V299-L335 HydrophobicContact CG2-CD1 3.74Å; V299-L335 HydrophobicContact CG2-CD2 3.76Å; V299-L335 HydrophobicContact CG2-CG 4.41Å
300	F	96.4	Very high	94.3	Very high	24 Å²	24	38.6 Å²	38.6	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144.8	173.9	-69	-97.6	0	0	0	110.4	V271 H273 L291 S292 Q298 A309 H310 K311	V271-F300 HydrophobicContact CG1-CB 4.06Å; V271-F300 HydrophobicContact CG1-CD1 4.04Å; V271-F300 HydrophobicContact CG1-CD2 3.47Å; V271-F300 VanDerWaalsContact CG1-CD2 3.47Å; V271-F300 HydrophobicContact CG1-CE1 4.33Å; V271-F300 HydrophobicContact CG1-CE2 3.8Å; V271-F300 HydrophobicContact CG1-CG 3.59Å; V271-F300 HydrophobicContact CG1-CZ 4.22Å; V271-F300 HydrophobicContact CG2-CB 4.03Å; V271-F300 HydrophobicContact CG2-CG 4.35Å; H273-F300 AromaticContact CE1-CD2 3.59Å; H273-F300 AromaticContact CE1-CE2 3.93Å; H273-F300 AromaticContact NE2-CD2 3.68Å; L291-F300 WeakPolarHBondContact CA-O 3.41Å; S292-F300 PolarHBondContact N-O 3.27Å; S292-F300 PolarHBondContact O-N 3.22Å; Q298-F300 HydrophobicContact CB-CD2 4.29Å; Q298-F300 HydrophobicContact CB-CE2 3.75Å; F300-A309 HydrophobicContact CD1-CB 4.17Å; F300-H310 WeakPolarHBondContact CA-O 3.47Å; F300-K311 HydrophobicContact CD1-CB 4.05Å; F300-K311 HydrophobicContact CD1-CG 4.43Å; F300-K311 HydrophobicContact CE1-CB 3.8Å; F300-K311 HydrophobicContact CE1-CG 4.09Å; F300-K311 HydrophobicContact CZ-CB 4.39Å; F300-K311 HydrophobicContact CZ-CG 4.19Å
301	S	96.1	Very high	94.1	Very high	25 Å²	25	42.7 Å²	42.7	18%	0.175	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.3	164.3	-178.3	0	0	0	0	107.9	H310	S301-H310 PolarHBondContact N-O 3.36Å; S301-H310 PolarHBondContact O-N 2.65Å
302	T	96.6	Very high	93.8	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.1	-177.9	-51.1	0	0	0	0	109.7	L270 V271 I289 V290 A309	L270-T302 HydrophobicContact CB-CG2 4.25Å; L270-T302 HydrophobicContact CD2-CG2 4.44Å; V271-T302 VanDerWaalsContact CG2-OG1 3.27Å; V271-T302 WeakPolarHBondContact CG2-OG1 3.38Å; I289-T302 WeakPolarHBondContact CA-O 3.49Å; V290-T302 PolarHBondContact N-O 3.47Å; V290-T302 PolarHBondContact O-N 3.09Å; T302-A309 HydrophobicContact CG2-CB 4.11Å; T302-A309 VanDerWaalsContact OG1-CB 3.32Å; T302-A309 WeakPolarHBondContact OG1-CB 3.48Å
303	D	95.4	Very high	93.6	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117	165.7	-171.1	-34.1	0	0	0	108.8	N288 I289 R305 I306	N288-D303 CarbonylContact O-C 3.59Å; N288-D303 WeakPolarHBondContact O-CA 3.34Å; I289-D303 HydrophobicContact CD1-CB 3.81Å; D303-R305 PolarHBondContact O-N 3.05Å; D303-R305 VanDerWaalsContact O-N 3.08Å; D303-R305 WeakPolarHBondContact OD1-CB 3.31Å; D303-R305 WeakPolarHBondContact OD1-CG 3.38Å; D303-R305 IonicContact OD1-CZ 3.05Å; D303-R305 PolarHBondContact OD1-N 3.2Å; D303-R305 IonicContact OD1-NE 2.86Å; D303-R305 PolarHBondContact OD1-NE 2.85Å; D303-R305 IonicContact OD1-NH2 3.43Å; D303-R305 IonicContact OD2-CZ 3.98Å; D303-R305 IonicContact OD2-NE 3.41Å; D303-R305 PolarHBondContact OD2-NE 3.43Å; D303-R305 IonicContact OD2-NH2 3.58Å; D303-R305 PolarHBondContact OD2-NH2 2.89Å; D303-I306 HydrophobicContact CB-CB 4.26Å; D303-I306 HydrophobicContact CB-CD1 4Å; D303-I306 HydrophobicContact CB-CG1 4.04Å; D303-I306 PolarHBondContact O-N 3.05Å
304	L	94.7	Very high	93.3	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.8	-176.5	-62.8	179.2	0	0	0	113.4	I235 L254 R268 L270 N288 V290	I235-L304 HydrophobicContact CB-CD1 4.5Å; I235-L304 HydrophobicContact CD1-CD1 3.76Å; I235-L304 HydrophobicContact CG1-CD1 3.84Å; I235-L304 HydrophobicContact CG2-CD1 3.82Å; L254-L304 HydrophobicContact CD1-CD1 4.43Å; L254-L304 HydrophobicContact CD1-CD2 4.31Å; L254-L304 HydrophobicContact CD2-CD2 4.38Å; R268-L304 PolarHBondContact NH1-O 2.96Å; R268-L304 VanDerWaalsContact NH1-O 3.12Å; R268-L304 PolarHBondContact NH2-O 2.94Å; L270-L304 HydrophobicContact CD1-CD2 3.62Å; L270-L304 HydrophobicContact CD2-CD2 4.07Å; N288-L304 WeakPolarHBondContact O-CG 3.48Å; N288-L304 PolarHBondContact O-N 3.4Å; V290-L304 HydrophobicContact CG2-CD1 4.13Å; V290-L304 HydrophobicContact CG2-CD2 3.97Å; V290-L304 HydrophobicContact CG2-CG 4.15Å
305	R	93	Very high	93	Very high	171 Å²	171	48.3 Å²	48.3	65%	0.645	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-15	176.7	-52.3	169.2	-67.6	-174.3	3.3	112.6	N288 D303	N288-R305 HydrophobicContact CB-CG 4.33Å; N288-R305 WeakPolarHBondContact OD1-CD 3.48Å; N288-R305 WeakPolarHBondContact OD1-CG 3.37Å; D303-R305 PolarHBondContact O-N 3.05Å; D303-R305 VanDerWaalsContact O-N 3.08Å; D303-R305 WeakPolarHBondContact OD1-CB 3.31Å; D303-R305 WeakPolarHBondContact OD1-CG 3.38Å; D303-R305 IonicContact OD1-CZ 3.05Å; D303-R305 PolarHBondContact OD1-N 3.2Å; D303-R305 IonicContact OD1-NE 2.86Å; D303-R305 PolarHBondContact OD1-NE 2.85Å; D303-R305 IonicContact OD1-NH2 3.43Å; D303-R305 IonicContact OD2-CZ 3.98Å; D303-R305 IonicContact OD2-NE 3.41Å; D303-R305 PolarHBondContact OD2-NE 3.43Å; D303-R305 IonicContact OD2-NH2 3.58Å; D303-R305 PolarHBondContact OD2-NH2 2.89Å
306	I	92.8	Very high	92.3	Very high	87 Å²	87	49.9 Å²	49.9	45%	0.446	24%	0.243	S	C	.	.	S	Bend	trans	-117	131.8	-173.7	-53.9	-179.6	0	0	0	109.1	D303 K308	D303-I306 HydrophobicContact CB-CB 4.26Å; D303-I306 HydrophobicContact CB-CD1 4Å; D303-I306 HydrophobicContact CB-CG1 4.04Å; D303-I306 PolarHBondContact O-N 3.05Å; I306-K308 PolarHBondContact O-N 3.24Å
307	P	87.2	Confident	91.8	Very high	134 Å²	134	51.3 Å²	51.3	87%	0.87	25%	0.249	S	C	*	.	S	Bend	trans	-72.5	5.3	-175.2	30.4	-37.5	0	0	0	114.9
308	K	89.3	Confident	91.6	Very high	172 Å²	172	51.5 Å²	51.5	75%	0.748	25%	0.25	S	C	*	.	S	Bend	trans	-133.3	110.6	-173	-178.3	173.3	-179.2	175.3	0	111.3	I306	I306-K308 PolarHBondContact O-N 3.24Å
309	A	93	Very high	91.4	Very high	22 Å²	22	51.7 Å²	51.7	18%	0.182	25%	0.251	C	S	.	.			trans	-62.3	145.9	170	0	0	0	0	0	112.2	V271 F300 T302	V271-A309 HydrophobicContact CG2-CB 3.79Å; F300-A309 HydrophobicContact CD1-CB 4.17Å; T302-A309 HydrophobicContact CG2-CB 4.11Å; T302-A309 VanDerWaalsContact OG1-CB 3.32Å; T302-A309 WeakPolarHBondContact OG1-CB 3.48Å
310	H	92.5	Very high	91.4	Very high	89 Å²	89	51.7 Å²	51.7	41%	0.412	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.8	176.9	179.3	-80.8	0	0	0	110	F300 S301 L312 K353	F300-H310 WeakPolarHBondContact CA-O 3.47Å; S301-H310 PolarHBondContact N-O 3.36Å; S301-H310 PolarHBondContact O-N 2.65Å; H310-L312 PolarHBondContact O-N 3.25Å; H310-L312 VanDerWaalsContact O-N 3.1Å; H310-K353 VanDerWaalsContact CE1-CE 3.43Å; H310-K353 WeakPolarHBondContact CE1-CE 3.28Å; H310-K353 VanDerWaalsContact NE2-CE 3.27Å; H310-K353 WeakPolarHBondContact NE2-CE 3.41Å; H310-K353 PolarHBondContact NE2-NZ 2.8Å
311	K	93.5	Very high	91.3	Very high	88 Å²	88	51.6 Å²	51.6	38%	0.383	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	111.5	169.2	-163.7	-173.1	-51.1	-161.9	0	108.7	F300 W314	F300-K311 HydrophobicContact CD1-CB 4.05Å; F300-K311 HydrophobicContact CD1-CG 4.43Å; F300-K311 HydrophobicContact CE1-CB 3.8Å; F300-K311 HydrophobicContact CE1-CG 4.09Å; F300-K311 HydrophobicContact CZ-CB 4.39Å; F300-K311 HydrophobicContact CZ-CG 4.19Å; K311-W314 HydrophobicContact CD-CB 4.25Å
312	L	92.6	Very high	91.3	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-47.6	-174.3	179	63.4	0	0	0	111.2	V299 H310 F333 R348 I351	V299-L312 HydrophobicContact CG1-CD2 4.4Å; V299-L312 PolarHBondContact O-N 3.08Å; H310-L312 PolarHBondContact O-N 3.25Å; H310-L312 VanDerWaalsContact O-N 3.1Å; L312-F333 HydrophobicContact CD2-CE1 3.92Å; L312-F333 HydrophobicContact CD2-CZ 3.75Å; L312-R348 HydrophobicContact CD1-CB 4.38Å; L312-R348 HydrophobicContact CD2-CB 4.06Å; L312-I351 HydrophobicContact CD1-CD1 4.15Å; L312-I351 HydrophobicContact CD2-CD1 4.4Å; L312-I351 HydrophobicContact CG-CD1 3.99Å; L312-I351 WeakPolarHBondContact O-CG2 3.47Å
313	L	92	Very high	91.3	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154	-179.3	-175.3	66.8	0	0	0	110.2	V299 L315 L335 Y346 I351	V299-L313 HydrophobicContact CB-CB 4.15Å; V299-L313 HydrophobicContact CG2-CB 4.3Å; V299-L313 PolarHBondContact N-O 3.09Å; V299-L313 PolarHBondContact O-N 3.36Å; L313-L315 HydrophobicContact CD1-CD2 4.19Å; L313-L315 HydrophobicContact CD2-CD1 4.45Å; L313-L315 HydrophobicContact CD2-CD2 4.47Å; L313-L315 HydrophobicContact CD2-CG 4.17Å; L313-L315 HydrophobicContact CG-CD2 4.34Å; L313-L315 HydrophobicContact CG-CG 4.29Å; L313-L335 HydrophobicContact CD2-CD1 3.67Å; L313-Y346 HydrophobicContact CD1-CE1 4.18Å; L313-Y346 HydrophobicContact CD2-CD1 4.31Å; L313-Y346 HydrophobicContact CD2-CD2 4.15Å; L313-Y346 HydrophobicContact CD2-CE1 3.87Å; L313-Y346 HydrophobicContact CD2-CE2 3.67Å; L313-Y346 HydrophobicContact CD2-CG 4.45Å; L313-I351 HydrophobicContact CD1-CG2 4.07Å
314	W	90.7	Very high	91.4	Very high	95 Å²	95	50.1 Å²	50.1	36%	0.36	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	116.6	169	179.6	38.1	0	0	0	110.6	G297 Q298 K311 P316 L451	G297-W314 CarbonylContact O-C 3.5Å; G297-W314 WeakPolarHBondContact O-CA 3.37Å; Q298-W314 VanDerWaalsContact CG-CD1 3.49Å; Q298-W314 HydrophobicContact CG-CG 4.2Å; K311-W314 HydrophobicContact CD-CB 4.25Å; W314-P316 HydrophobicContact CZ2-CB 3.81Å; W314-L451 HydrophobicContact CZ3-CD1 4.33Å
315	L	88.5	Confident	91.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.245	C	C	.	.			trans	-114.6	94.9	172.2	-57.2	-171.2	0	0	0	108.3	G297 L313 F317 S318 F320 P356	G297-L315 WeakPolarHBondContact CA-O 3.2Å; G297-L315 PolarHBondContact O-N 2.85Å; L313-L315 HydrophobicContact CD1-CD2 4.19Å; L313-L315 HydrophobicContact CD2-CD1 4.45Å; L313-L315 HydrophobicContact CD2-CD2 4.47Å; L313-L315 HydrophobicContact CD2-CG 4.17Å; L313-L315 HydrophobicContact CG-CD2 4.34Å; L313-L315 HydrophobicContact CG-CG 4.29Å; L315-F317 PolarHBondContact O-N 2.77Å; L315-S318 PolarHBondContact O-N 3.26Å; L315-F320 HydrophobicContact CB-CZ 4.29Å; L315-F320 HydrophobicContact CD1-CE1 4.46Å; L315-F320 HydrophobicContact CD1-CZ 3.95Å; L315-F320 HydrophobicContact CG-CZ 4.23Å; L315-P356 HydrophobicContact CD2-CB 3.49Å; L315-P356 VanDerWaalsContact CD2-CB 3.49Å
316	P	81	Confident	91.7	Very high	37 Å²	37	42.2 Å²	42.2	24%	0.24	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-2.7	-164.2	22	-33	0	0	0	117	W314	W314-P316 HydrophobicContact CZ2-CB 3.81Å
317	F	81.2	Confident	91.7	Very high	46 Å²	46	39.7 Å²	39.7	20%	0.202	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-7.9	-179.7	-46.5	-61.4	0	0	0	114.2	L315 G436 A440 Y457	L315-F317 PolarHBondContact O-N 2.77Å; F317-G436 WeakPolarHBondContact CE1-O 3.16Å; F317-A440 HydrophobicContact CE1-CB 3.83Å; F317-A440 HydrophobicContact CZ-CB 3.53Å; F317-Y457 HydrophobicContact CB-CD2 3.56Å; F317-Y457 HydrophobicContact CB-CE2 3.33Å; F317-Y457 HydrophobicContact CB-CG 4.3Å; F317-Y457 HydrophobicContact CD2-CD1 4.26Å; F317-Y457 HydrophobicContact CD2-CD2 4.02Å; F317-Y457 HydrophobicContact CD2-CE2 4.43Å; F317-Y457 AromaticContact CD2-CG 3.93Å; F317-Y457 HydrophobicContact CD2-CG 3.93Å; F317-Y457 HydrophobicContact CG-CD2 4.16Å; F317-Y457 HydrophobicContact CG-CE2 4.13Å; F317-Y457 HydrophobicContact CG-CG 4.42Å
318	S	87.4	Confident	92	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	18%	0.183	C	C	.	.			trans	-91.1	131.4	177.1	-55.8	0	0	0	0	109.7	G297 L315 E340	G297-S318 WeakPolarHBondContact CA-O 3.39Å; G297-S318 PolarHBondContact N-O 3.01Å; L315-S318 PolarHBondContact O-N 3.26Å; S318-E340 WeakPolarHBondContact CB-OE2 3.4Å; S318-E340 PolarHBondContact OG-OE1 3.3Å; S318-E340 PolarHBondContact OG-OE2 3.03Å
319	E	90.9	Very high	92.3	Very high	26 Å²	26	32 Å²	32	12%	0.121	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	103.5	177.6	-40.4	-168.6	162.1	0	0	108.6	R275 A295 G337 R338 R439	R275-E319 IonicContact CZ-OE1 3.49Å; R275-E319 IonicContact CZ-OE2 2.87Å; R275-E319 IonicContact NH1-OE1 3.75Å; R275-E319 PolarHBondContact NH1-OE1 3.41Å; R275-E319 IonicContact NH1-OE2 3.11Å; R275-E319 PolarHBondContact NH1-OE2 2.98Å; R275-E319 VanDerWaalsContact NH2-CD 3.32Å; R275-E319 IonicContact NH2-OE1 3.87Å; R275-E319 PolarHBondContact NH2-OE1 2.86Å; R275-E319 IonicContact NH2-OE2 2.71Å; R275-E319 PolarHBondContact NH2-OE2 3.49Å; A295-E319 HydrophobicContact CB-CB 4.31Å; E319-G337 CarbonylContact O-C 3.54Å; E319-G337 VanDerWaalsContact O-CA 3.31Å; E319-G337 WeakPolarHBondContact O-CA 3.48Å; E319-R338 HydrophobicContact CB-CB 3.88Å; E319-R338 HydrophobicContact CG-CB 4.36Å; E319-R338 PolarHBondContact O-N 2.92Å; E319-R338 VanDerWaalsContact OE2-CD 3.3Å; E319-R338 WeakPolarHBondContact OE2-CD 3.41Å; E319-R439 IonicContact OE1-NH1 2.68Å; E319-R439 PolarHBondContact OE1-NH1 3.01Å
320	F	94.6	Very high	92.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.7	-171.7	-56.7	-51	0	0	0	113.2	A293 G294 G297 V299 L315 L335 C336	A293-F320 HydrophobicContact CB-CB 3.98Å; A293-F320 HydrophobicContact CB-CD2 4.13Å; A293-F320 HydrophobicContact CB-CG 4.37Å; G294-F320 WeakPolarHBondContact O-CB 3.37Å; G294-F320 PolarHBondContact O-N 3.08Å; G297-F320 WeakPolarHBondContact O-CE2 3.29Å; V299-F320 HydrophobicContact CG2-CD2 4.16Å; V299-F320 HydrophobicContact CG2-CE2 3.8Å; L315-F320 HydrophobicContact CB-CZ 4.29Å; L315-F320 HydrophobicContact CD1-CE1 4.46Å; L315-F320 HydrophobicContact CD1-CZ 3.95Å; L315-F320 HydrophobicContact CG-CZ 4.23Å; F320-L335 HydrophobicContact CD1-CB 4.12Å; F320-L335 HydrophobicContact CE1-CB 3.93Å; F320-L335 HydrophobicContact CE1-CD1 4.15Å; F320-L335 HydrophobicContact CE2-CD1 4.14Å; F320-L335 HydrophobicContact CZ-CB 4.4Å; F320-L335 HydrophobicContact CZ-CD1 3.78Å; F320-C336 WeakPolarHBondContact CA-O 3.49Å
321	F	94.3	Very high	92.3	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.096	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-30.5	172.4	-62.4	-31.3	0	0	0	112.6	H278 C336 R338 I512	H278-F321 WeakPolarHBondContact CB-O 3.31Å; H278-F321 AromaticContact CD2-CD1 3.95Å; F321-C336 PolarHBondContact N-O 3.21Å; F321-R338 HydrophobicContact CE1-CB 4.17Å; F321-R338 HydrophobicContact CE2-CB 3.81Å; F321-R338 HydrophobicContact CE2-CG 4.22Å; F321-R338 HydrophobicContact CZ-CB 3.5Å; F321-R338 HydrophobicContact CZ-CG 3.8Å; F321-I512 HydrophobicContact CD1-CD1 4.09Å; F321-I512 HydrophobicContact CD2-CD1 4.48Å; F321-I512 HydrophobicContact CE1-CD1 4.2Å; F321-I512 HydrophobicContact CG-CD1 4.23Å; F321-I512 HydrophobicContact CZ-CD1 4.43Å
322	S	95.9	Very high	92.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.7	-177.1	-176.9	0	0	0	0	112.5	K279 C336 A469	K279-S322 WeakPolarHBondContact CD-OG 3.41Å; S322-C336 PolarHBondContact N-O 3.2Å; S322-C336 PolarHBondContact O-N 2.81Å; S322-A469 PolarHBondContact OG-N 3.41Å
323	I	97.3	Very high	92.6	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.3	169.1	-178.9	170.2	0	0	0	109.6	K279 L291 A293 V299 F333 A334 L335	K279-I323 HydrophobicContact CB-CG2 4.31Å; K279-I323 WeakPolarHBondContact O-CG2 3.5Å; L291-I323 HydrophobicContact CB-CD1 3.74Å; L291-I323 HydrophobicContact CD1-CD1 4.33Å; A293-I323 HydrophobicContact CB-CB 3.84Å; A293-I323 HydrophobicContact CB-CD1 4.24Å; A293-I323 HydrophobicContact CB-CG2 3.87Å; V299-I323 HydrophobicContact CG1-CD1 3.92Å; I323-F333 HydrophobicContact CD1-CD2 3.83Å; I323-F333 HydrophobicContact CD1-CE2 4.3Å; I323-F333 HydrophobicContact CG1-CD2 4.12Å; I323-A334 WeakPolarHBondContact CA-O 3.28Å; I323-L335 HydrophobicContact CB-CD2 4.01Å; I323-L335 HydrophobicContact CD1-CD2 3.86Å; I323-L335 HydrophobicContact CG1-CD2 3.85Å
324	A	97.2	Very high	92.8	Very high	15 Å²	15	25.8 Å²	25.8	12%	0.124	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.1	177.8	0	0	0	0	0	111	F333 A334 A469 Y471	A324-F333 CarbonylContact O-C 3.53Å; A324-F333 VanDerWaalsContact O-CA 3.22Å; A324-F333 WeakPolarHBondContact O-CA 3.49Å; A324-A334 PolarHBondContact N-O 3.15Å; A324-A334 VanDerWaalsContact N-O 3.12Å; A324-A334 PolarHBondContact O-N 2.99Å; A324-A469 VanDerWaalsContact CB-O 3.32Å; A324-A469 WeakPolarHBondContact CB-O 3.28Å; A324-Y471 HydrophobicContact CB-CD2 4.19Å; A324-Y471 HydrophobicContact CB-CE2 4.42Å
325	S	97.1	Very high	93.1	Very high	16 Å²	16	21.3 Å²	21.3	11%	0.112	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	145.5	172.9	-51.3	0	0	0	0	109.6	S281 Y471	S281-S325 WeakPolarHBondContact CB-OG 3.4Å; S281-S325 PolarHBondContact OG-N 3.25Å; S281-S325 PolarHBondContact OG-OG 2.86Å; S325-Y471 WeakPolarHBondContact O-CD2 3.32Å
326	N	96.7	Very high	93.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.			trans	-72.7	124.3	174	-178.7	-28.3	0	0	0	109.4	T328 R329 E332 Y471 G475	N326-T328 VanDerWaalsContact C-N 3.33Å; N326-T328 PolarHBondContact O-N 2.9Å; N326-T328 PolarHBondContact OD1-N 2.98Å; N326-T328 VanDerWaalsContact OD1-N 3.08Å; N326-T328 PolarHBondContact OD1-OG1 3.16Å; N326-R329 HydrophobicContact CB-CB 4.17Å; N326-R329 CarbonylContact O-C 3.54Å; N326-R329 VanDerWaalsContact O-C 3.27Å; N326-R329 PolarHBondContact O-N 2.99Å; N326-R329 PolarHBondContact OD1-N 2.86Å; N326-E332 HydrophobicContact CB-CB 3.82Å; N326-E332 PolarHBondContact N-O 3.32Å; N326-E332 PolarHBondContact ND2-OE2 3.27Å; N326-Y471 HydrophobicContact CB-CD1 4.34Å; N326-Y471 HydrophobicContact CB-CD2 4.27Å; N326-Y471 HydrophobicContact CB-CE1 4.12Å; N326-Y471 HydrophobicContact CB-CE2 4.05Å; N326-Y471 HydrophobicContact CB-CG 4.41Å; N326-G475 PolarHBondContact ND2-O 2.83Å; N326-G475 VanDerWaalsContact OD1-CA 3.24Å; N326-G475 WeakPolarHBondContact OD1-CA 3.16Å
327	P	93.5	Very high	93.9	Very high	34 Å²	34	19.5 Å²	19.5	22%	0.221	10%	0.103	C	C	.	.	S	Bend	trans	-69.3	-24.8	-173.1	26.4	-34.4	0	0	0	114.6	N284 S472	N284-P327 VanDerWaalsContact ND2-CA 3.28Å; N284-P327 WeakPolarHBondContact ND2-CA 3.4Å; N284-P327 VanDerWaalsContact ND2-CB 3.3Å; N284-P327 WeakPolarHBondContact ND2-CB 3.41Å; N284-P327 PolarHBondContact ND2-O 2.97Å; P327-S472 WeakPolarHBondContact CG-O 3.28Å
328	T	93.2	Very high	94.3	Very high	72 Å²	72	21.9 Å²	21.9	44%	0.442	11%	0.11	S	C	.	.	S	Bend	trans	-101.3	-13.1	176.6	58.1	0	0	0	0	113	N326 Q474	N326-T328 VanDerWaalsContact C-N 3.33Å; N326-T328 PolarHBondContact O-N 2.9Å; N326-T328 PolarHBondContact OD1-N 2.98Å; N326-T328 VanDerWaalsContact OD1-N 3.08Å; N326-T328 PolarHBondContact OD1-OG1 3.16Å; T328-Q474 WeakPolarHBondContact CG2-O 3.42Å; T328-Q474 PolarHBondContact OG1-O 2.56Å
329	R	94.5	Very high	94.1	Very high	74 Å²	74	23.1 Å²	23.1	28%	0.279	12%	0.119	S	C	.	.			trans	-131.3	75.6	176.4	-55.6	178.5	-160.6	148.9	7.7	110.2	N326 H331 E332 N493	N326-R329 HydrophobicContact CB-CB 4.17Å; N326-R329 CarbonylContact O-C 3.54Å; N326-R329 VanDerWaalsContact O-C 3.27Å; N326-R329 PolarHBondContact O-N 2.99Å; N326-R329 PolarHBondContact OD1-N 2.86Å; R329-H331 PolarHBondContact O-N 3.19Å; R329-E332 HydrophobicContact CB-CB 4.41Å; R329-E332 HydrophobicContact CB-CG 4.09Å; R329-E332 VanDerWaalsContact CD-CD 3.4Å; R329-E332 WeakPolarHBondContact CD-OE1 3.31Å; R329-E332 WeakPolarHBondContact CD-OE2 3.4Å; R329-E332 IonicContact CZ-OE1 2.66Å; R329-E332 IonicContact NE-OE1 2.93Å; R329-E332 IonicContact NH1-OE1 3.65Å; R329-E332 PolarHBondContact NH1-OE1 2.86Å; R329-E332 IonicContact NH1-OE2 3.51Å; R329-E332 PolarHBondContact NH1-OE2 3.41Å; R329-E332 PolarHBondContact O-N 3.12Å; R329-N493 PolarHBondContact NH2-OD1 3.4Å
330	P	92.6	Very high	93.6	Very high	35 Å²	35	22.6 Å²	22.6	23%	0.227	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	4.8	-171.3	26.9	-36.9	0	0	0	115.5	P283 N284 R348	P283-P330 HydrophobicContact CB-CB 3.9Å; N284-P330 WeakPolarHBondContact O-CB 3.49Å; N284-P330 WeakPolarHBondContact O-CG 3.39Å; P330-R348 PolarHBondContact O-NE 2.69Å; P330-R348 PolarHBondContact O-NH2 2.85Å
331	H	93.9	Very high	93.4	Very high	43 Å²	43	22.8 Å²	22.8	20%	0.199	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-18.1	168.2	54	-95.5	0	0	0	114	R329 D347 R348 R349	R329-H331 PolarHBondContact O-N 3.19Å; H331-D347 IonicContact CD2-OD1 3.38Å; H331-D347 IonicContact CD2-OD2 2.85Å; H331-D347 WeakPolarHBondContact O-CA 3.41Å; H331-R348 HydrophobicContact CB-CG 4.37Å; H331-R348 WeakPolarHBondContact O-CG 3.23Å; H331-R348 PolarHBondContact O-N 3.4Å; H331-R349 HydrophobicContact CB-CG 4.12Å; H331-R349 PolarHBondContact CD2-NH2 2.95Å; H331-R349 PolarHBondContact NE2-NH2 2.9Å
332	E	95.6	Very high	93.3	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.079	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.3	173	-63.1	178.5	-177.8	0	0	110.7	N326 R329 Y346 L361	N326-E332 HydrophobicContact CB-CB 3.82Å; N326-E332 PolarHBondContact N-O 3.32Å; N326-E332 PolarHBondContact ND2-OE2 3.27Å; R329-E332 HydrophobicContact CB-CB 4.41Å; R329-E332 HydrophobicContact CB-CG 4.09Å; R329-E332 VanDerWaalsContact CD-CD 3.4Å; R329-E332 WeakPolarHBondContact CD-OE1 3.31Å; R329-E332 WeakPolarHBondContact CD-OE2 3.4Å; R329-E332 IonicContact CZ-OE1 2.66Å; R329-E332 IonicContact NE-OE1 2.93Å; R329-E332 IonicContact NH1-OE1 3.65Å; R329-E332 PolarHBondContact NH1-OE1 2.86Å; R329-E332 IonicContact NH1-OE2 3.51Å; R329-E332 PolarHBondContact NH1-OE2 3.41Å; R329-E332 PolarHBondContact O-N 3.12Å; E332-Y346 CarbonylContact C-O 3.53Å; E332-Y346 VanDerWaalsContact CA-O 3.28Å; E332-Y346 WeakPolarHBondContact CA-O 3.44Å; E332-L361 HydrophobicContact CG-CD1 3.88Å
333	F	96.6	Very high	93.2	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.6	170.6	68.8	-75.2	0	0	0	111.7	L291 V299 L312 I323 A324 L335 I345 Y346 R348 I351	L291-F333 HydrophobicContact CD1-CB 4.38Å; L291-F333 HydrophobicContact CD1-CG 4.4Å; V299-F333 HydrophobicContact CG1-CE2 4.06Å; L312-F333 HydrophobicContact CD2-CE1 3.92Å; L312-F333 HydrophobicContact CD2-CZ 3.75Å; I323-F333 HydrophobicContact CD1-CD2 3.83Å; I323-F333 HydrophobicContact CD1-CE2 4.3Å; I323-F333 HydrophobicContact CG1-CD2 4.12Å; A324-F333 CarbonylContact O-C 3.53Å; A324-F333 VanDerWaalsContact O-CA 3.22Å; A324-F333 WeakPolarHBondContact O-CA 3.49Å; F333-L335 HydrophobicContact CD2-CD2 3.98Å; F333-L335 HydrophobicContact CD2-CG 4Å; F333-L335 HydrophobicContact CE2-CD1 3.85Å; F333-L335 HydrophobicContact CE2-CD2 3.9Å; F333-L335 HydrophobicContact CE2-CG 3.81Å; F333-I345 CarbonylContact O-C 3.57Å; F333-I345 WeakPolarHBondContact O-CA 3.29Å; F333-Y346 WeakPolarHBondContact CD1-O 3.33Å; F333-Y346 HydrophobicContact CZ-CG 4.33Å; F333-Y346 PolarHBondContact N-O 3.33Å; F333-Y346 PolarHBondContact O-N 3.44Å; F333-R348 HydrophobicContact CD1-CB 4.08Å; F333-R348 HydrophobicContact CE1-CB 3.73Å; F333-I351 HydrophobicContact CE1-CD1 3.9Å; F333-I351 HydrophobicContact CZ-CD1 3.85Å
334	A	96.9	Very high	93	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.2	178.3	0	0	0	0	0	110.8	I323 A324 V343 R344 I345 Y471 I478	I323-A334 WeakPolarHBondContact CA-O 3.28Å; A324-A334 PolarHBondContact N-O 3.15Å; A324-A334 VanDerWaalsContact N-O 3.12Å; A324-A334 PolarHBondContact O-N 2.99Å; A334-V343 HydrophobicContact CB-CG1 3.71Å; A334-R344 CarbonylContact C-O 3.39Å; A334-R344 WeakPolarHBondContact CA-O 3.33Å; A334-I345 HydrophobicContact CB-CG1 4.27Å; A334-Y471 HydrophobicContact CB-CE2 3.83Å; A334-I478 HydrophobicContact CB-CD1 3.71Å
335	L	95.8	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.3	175.4	-63.4	175	0	0	0	110.9	A293 V299 L313 F320 I323 F333 V343 R344 Y346	A293-L335 HydrophobicContact CB-CD2 4.11Å; V299-L335 HydrophobicContact CG2-CD1 3.74Å; V299-L335 HydrophobicContact CG2-CD2 3.76Å; V299-L335 HydrophobicContact CG2-CG 4.41Å; L313-L335 HydrophobicContact CD2-CD1 3.67Å; F320-L335 HydrophobicContact CD1-CB 4.12Å; F320-L335 HydrophobicContact CE1-CB 3.93Å; F320-L335 HydrophobicContact CE1-CD1 4.15Å; F320-L335 HydrophobicContact CE2-CD1 4.14Å; F320-L335 HydrophobicContact CZ-CB 4.4Å; F320-L335 HydrophobicContact CZ-CD1 3.78Å; I323-L335 HydrophobicContact CB-CD2 4.01Å; I323-L335 HydrophobicContact CD1-CD2 3.86Å; I323-L335 HydrophobicContact CG1-CD2 3.85Å; F333-L335 HydrophobicContact CD2-CD2 3.98Å; F333-L335 HydrophobicContact CD2-CG 4Å; F333-L335 HydrophobicContact CE2-CD1 3.85Å; F333-L335 HydrophobicContact CE2-CD2 3.9Å; F333-L335 HydrophobicContact CE2-CG 3.81Å; L335-V343 WeakPolarHBondContact O-CA 3.5Å; L335-V343 WeakPolarHBondContact O-CG1 3.1Å; L335-R344 PolarHBondContact N-O 3.45Å; L335-R344 PolarHBondContact O-N 2.82Å; L335-Y346 HydrophobicContact CD1-CD2 3.95Å; L335-Y346 HydrophobicContact CD1-CE2 3.93Å
336	C	94.6	Very high	92.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	165.6	175.1	80	0	0	0	0	113	F320 F321 S322 V343 V466	F320-C336 WeakPolarHBondContact CA-O 3.49Å; F321-C336 PolarHBondContact N-O 3.21Å; S322-C336 PolarHBondContact N-O 3.2Å; S322-C336 PolarHBondContact O-N 2.81Å; C336-V343 HydrophobicContact CB-CB 4.27Å; C336-V343 HydrophobicContact CB-CG1 4.34Å; C336-V343 HydrophobicContact CB-CG2 3.56Å; C336-V466 HydrophobicContact CB-CB 3.78Å; C336-V466 HydrophobicContact CB-CG1 3.91Å; C336-V466 WeakPolarHBondContact SG-CG1 3.4Å; C336-V466 PolarHBondContact SG-O 3.38Å; C336-V466 VanDerWaalsContact SG-O 3.33Å
337	G	92.2	Very high	92.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-138.9	176.3	0	0	0	0	0	115.6	E319 S465 V466	E319-G337 CarbonylContact O-C 3.54Å; E319-G337 VanDerWaalsContact O-CA 3.31Å; E319-G337 WeakPolarHBondContact O-CA 3.48Å; G337-S465 WeakPolarHBondContact O-CA 3.43Å; G337-S465 WeakPolarHBondContact O-CB 3.3Å; G337-V466 WeakPolarHBondContact CA-O 3.36Å; G337-V466 PolarHBondContact O-N 2.8Å
338	R	90.1	Very high	92.6	Very high	96 Å²	96	20.8 Å²	20.8	36%	0.362	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.5	-162.8	-160.7	-179.4	179.3	86.2	4.9	113.8	E319 F321 E340	E319-R338 HydrophobicContact CB-CB 3.88Å; E319-R338 HydrophobicContact CG-CB 4.36Å; E319-R338 PolarHBondContact O-N 2.92Å; E319-R338 VanDerWaalsContact OE2-CD 3.3Å; E319-R338 WeakPolarHBondContact OE2-CD 3.41Å; F321-R338 HydrophobicContact CE1-CB 4.17Å; F321-R338 HydrophobicContact CE2-CB 3.81Å; F321-R338 HydrophobicContact CE2-CG 4.22Å; F321-R338 HydrophobicContact CZ-CB 3.5Å; F321-R338 HydrophobicContact CZ-CG 3.8Å; R338-E340 PolarHBondContact O-N 3.36Å
339	S	83.1	Confident	92.6	Very high	30 Å²	30	24.7 Å²	24.7	21%	0.21	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	21.9	172.8	-62.8	0	0	0	0	115.4	T462 S465	S339-T462 WeakPolarHBondContact CA-O 3.42Å; S339-T462 VanDerWaalsContact CB-O 3.25Å; S339-T462 WeakPolarHBondContact CB-O 3.32Å; S339-T462 PolarHBondContact O-N 3.45Å; S339-T462 PolarHBondContact O-OG1 3.01Å; S339-T462 VanDerWaalsContact O-OG1 3.11Å; S339-T462 PolarHBondContact OG-O 2.79Å; S339-S465 PolarHBondContact N-OG 3.32Å
340	E	79.6	Confident	92.5	Very high	15 Å²	15	26.8 Å²	26.8	7%	0.07	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	103.9	170.2	-66.2	-176.3	143.5	0	0	106.3	S318 R338 I342 R344	S318-E340 WeakPolarHBondContact CB-OE2 3.4Å; S318-E340 PolarHBondContact OG-OE1 3.3Å; S318-E340 PolarHBondContact OG-OE2 3.03Å; R338-E340 PolarHBondContact O-N 3.36Å; E340-I342 HydrophobicContact CB-CG1 3.91Å; E340-I342 PolarHBondContact O-N 3.35Å; E340-R344 VanDerWaalsContact CD-NH1 3.25Å; E340-R344 IonicContact OE1-CZ 3Å; E340-R344 IonicContact OE1-NH1 3.86Å; E340-R344 PolarHBondContact OE1-NH1 3.44Å; E340-R344 IonicContact OE1-NH2 3.64Å; E340-R344 PolarHBondContact OE1-NH2 3.42Å; E340-R344 IonicContact OE2-CZ 3.19Å; E340-R344 IonicContact OE2-NH1 2.7Å; E340-R344 PolarHBondContact OE2-NH1 2.94Å; E340-R344 IonicContact OE2-NH2 2.64Å
341	S	90.2	Very high	92.3	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	28.3	-179.2	62.1	0	0	0	0	114.1	L369 R370 T462 Y482	S341-L369 WeakPolarHBondContact CB-O 3.27Å; S341-L369 VanDerWaalsContact OG-C 3.31Å; S341-L369 PolarHBondContact OG-O 2.93Å; S341-R370 WeakPolarHBondContact OG-CA 3.16Å; S341-T462 WeakPolarHBondContact CB-OG1 3.32Å; S341-T462 PolarHBondContact N-OG1 2.96Å; S341-T462 VanDerWaalsContact N-OG1 3.09Å; S341-Y482 WeakPolarHBondContact O-CE1 3.5Å; S341-Y482 PolarHBondContact O-OH 3.02Å
342	I	92	Very high	91.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.9	-168.3	55.5	163.8	0	0	0	111.9	E340 T363 I364 R370 F459	E340-I342 HydrophobicContact CB-CG1 3.91Å; E340-I342 PolarHBondContact O-N 3.35Å; I342-T363 HydrophobicContact CB-CG2 3.82Å; I342-T363 HydrophobicContact CD1-CG2 3.68Å; I342-T363 HydrophobicContact CG1-CG2 4.31Å; I342-T363 HydrophobicContact CG2-CG2 4.06Å; I342-I364 CarbonylContact C-O 3.56Å; I342-I364 VanDerWaalsContact CA-O 3.23Å; I342-I364 WeakPolarHBondContact CA-O 3.3Å; I342-I364 WeakPolarHBondContact CB-O 3.09Å; I342-R370 HydrophobicContact CG2-CG 4.22Å; I342-F459 HydrophobicContact CD1-CD1 3.89Å; I342-F459 HydrophobicContact CD1-CD2 4.2Å; I342-F459 HydrophobicContact CD1-CE1 3.8Å; I342-F459 HydrophobicContact CD1-CE2 4.13Å; I342-F459 HydrophobicContact CD1-CG 4.1Å; I342-F459 HydrophobicContact CD1-CZ 3.93Å; I342-F459 HydrophobicContact CG2-CE1 4.38Å
343	V	93.9	Very high	91.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.5	169.4	-179.2	0	0	0	0	109	A334 L335 C336 T363 I364 V466 A469 I478 L480	A334-V343 HydrophobicContact CB-CG1 3.71Å; L335-V343 WeakPolarHBondContact O-CA 3.5Å; L335-V343 WeakPolarHBondContact O-CG1 3.1Å; C336-V343 HydrophobicContact CB-CB 4.27Å; C336-V343 HydrophobicContact CB-CG1 4.34Å; C336-V343 HydrophobicContact CB-CG2 3.56Å; V343-T363 CarbonylContact O-C 3.55Å; V343-T363 WeakPolarHBondContact O-CA 3.41Å; V343-I364 PolarHBondContact N-O 3.45Å; V343-I364 PolarHBondContact O-N 3.27Å; V343-V466 HydrophobicContact CG2-CB 4.38Å; V343-V466 HydrophobicContact CG2-CG1 3.89Å; V343-V466 HydrophobicContact CG2-CG2 4.23Å; V343-A469 HydrophobicContact CG1-CB 4.16Å; V343-A469 HydrophobicContact CG2-CB 4.13Å; V343-I478 HydrophobicContact CG1-CD1 4.21Å; V343-L480 HydrophobicContact CB-CD2 4.18Å; V343-L480 HydrophobicContact CG2-CD1 3.77Å; V343-L480 HydrophobicContact CG2-CD2 3.32Å; V343-L480 HydrophobicContact CG2-CG 4.17Å
344	R	93.1	Very high	90.1	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.9	175.2	-63.9	-177.1	-173	82.3	-9.5	109	A334 L335 E340 Y346 L360 S456	A334-R344 CarbonylContact C-O 3.39Å; A334-R344 WeakPolarHBondContact CA-O 3.33Å; L335-R344 PolarHBondContact N-O 3.45Å; L335-R344 PolarHBondContact O-N 2.82Å; E340-R344 VanDerWaalsContact CD-NH1 3.25Å; E340-R344 IonicContact OE1-CZ 3Å; E340-R344 IonicContact OE1-NH1 3.86Å; E340-R344 PolarHBondContact OE1-NH1 3.44Å; E340-R344 IonicContact OE1-NH2 3.64Å; E340-R344 PolarHBondContact OE1-NH2 3.42Å; E340-R344 IonicContact OE2-CZ 3.19Å; E340-R344 IonicContact OE2-NH1 2.7Å; E340-R344 PolarHBondContact OE2-NH1 2.94Å; E340-R344 IonicContact OE2-NH2 2.64Å; R344-Y346 HydrophobicContact CB-CD2 4.11Å; R344-Y346 HydrophobicContact CB-CE2 3.55Å; R344-Y346 HydrophobicContact CG-CE2 4.45Å; R344-L360 HydrophobicContact CB-CD1 3.75Å; R344-L360 HydrophobicContact CG-CD1 4.19Å; R344-S456 PolarHBondContact NH2-O 3.31Å; R344-S456 VanDerWaalsContact NH2-O 3.13Å
345	I	94.8	Very high	89.3	Confident	0 Å²	0	48 Å²	48	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.9	176.5	-61	178.2	0	0	0	108.7	F333 A334 L361 H362 I364 Y471 I478 V492	F333-I345 CarbonylContact O-C 3.57Å; F333-I345 WeakPolarHBondContact O-CA 3.29Å; A334-I345 HydrophobicContact CB-CG1 4.27Å; I345-L361 HydrophobicContact CG2-CD1 4.33Å; I345-L361 WeakPolarHBondContact O-CB 3.32Å; I345-L361 PolarHBondContact O-N 2.82Å; I345-H362 HydrophobicContact CB-CB 4.49Å; I345-H362 PolarHBondContact N-O 3.43Å; I345-H362 PolarHBondContact O-N 2.7Å; I345-I364 HydrophobicContact CD1-CD1 3.71Å; I345-I364 HydrophobicContact CD1-CG1 4.4Å; I345-Y471 WeakPolarHBondContact CG2-OH 3.41Å; I345-I478 HydrophobicContact CD1-CD1 4.41Å; I345-V492 HydrophobicContact CD1-CG1 4.21Å
346	Y	95.1	Very high	88	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140	-176.7	-75.7	-92.9	0	0	0	112.1	L313 E332 F333 L335 R344 I351 P356 G359 L360	L313-Y346 HydrophobicContact CD1-CE1 4.18Å; L313-Y346 HydrophobicContact CD2-CD1 4.31Å; L313-Y346 HydrophobicContact CD2-CD2 4.15Å; L313-Y346 HydrophobicContact CD2-CE1 3.87Å; L313-Y346 HydrophobicContact CD2-CE2 3.67Å; L313-Y346 HydrophobicContact CD2-CG 4.45Å; E332-Y346 CarbonylContact C-O 3.53Å; E332-Y346 VanDerWaalsContact CA-O 3.28Å; E332-Y346 WeakPolarHBondContact CA-O 3.44Å; F333-Y346 WeakPolarHBondContact CD1-O 3.33Å; F333-Y346 HydrophobicContact CZ-CG 4.33Å; F333-Y346 PolarHBondContact N-O 3.33Å; F333-Y346 PolarHBondContact O-N 3.44Å; L335-Y346 HydrophobicContact CD1-CD2 3.95Å; L335-Y346 HydrophobicContact CD1-CE2 3.93Å; R344-Y346 HydrophobicContact CB-CD2 4.11Å; R344-Y346 HydrophobicContact CB-CE2 3.55Å; R344-Y346 HydrophobicContact CG-CE2 4.45Å; Y346-I351 HydrophobicContact CD1-CD1 4.07Å; Y346-I351 HydrophobicContact CD1-CG1 4.29Å; Y346-I351 HydrophobicContact CG-CD1 4.42Å; Y346-P356 PolarHBondContact OH-O 2.95Å; Y346-G359 CarbonylContact C-O 3.55Å; Y346-G359 VanDerWaalsContact CA-O 3.3Å; Y346-G359 WeakPolarHBondContact CA-O 3.45Å; Y346-L360 HydrophobicContact CD1-CB 4.08Å; Y346-L360 HydrophobicContact CD1-CD1 4.49Å; Y346-L360 HydrophobicContact CD2-CD1 4.24Å; Y346-L360 HydrophobicContact CE1-CB 3.72Å; Y346-L360 HydrophobicContact CE1-CD1 4.15Å; Y346-L360 HydrophobicContact CE2-CD1 3.88Å
347	D	94.6	Very high	87.1	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.5	162.4	-179.6	-13.3	0	0	0	109.1	H331 R349 K350 G359 L361	H331-D347 IonicContact CD2-OD1 3.38Å; H331-D347 IonicContact CD2-OD2 2.85Å; H331-D347 WeakPolarHBondContact O-CA 3.41Å; D347-R349 PolarHBondContact O-N 3.37Å; D347-R349 WeakPolarHBondContact OD1-CB 3.28Å; D347-R349 IonicContact OD1-CZ 3.01Å; D347-R349 PolarHBondContact OD1-N 3.39Å; D347-R349 VanDerWaalsContact OD1-N 3.1Å; D347-R349 IonicContact OD1-NE 2.86Å; D347-R349 PolarHBondContact OD1-NE 2.91Å; D347-R349 IonicContact OD1-NH2 3.24Å; D347-R349 IonicContact OD2-CZ 3.99Å; D347-R349 IonicContact OD2-NE 2.74Å; D347-R349 PolarHBondContact OD2-NE 2.84Å; D347-R349 IonicContact OD2-NH2 3.75Å; D347-R349 PolarHBondContact OD2-NH2 3.15Å; D347-K350 HydrophobicContact CB-CB 4.43Å; D347-K350 HydrophobicContact CB-CD 4.07Å; D347-K350 HydrophobicContact CB-CG 4.32Å; D347-K350 PolarHBondContact O-N 3.39Å; D347-K350 VanDerWaalsContact OD2-CE 3.23Å; D347-K350 WeakPolarHBondContact OD2-CE 3.36Å; D347-K350 IonicContact OD2-NZ 2.68Å; D347-K350 PolarHBondContact OD2-NZ 2.99Å; D347-G359 PolarHBondContact N-O 3.09Å; D347-L361 HydrophobicContact CB-CD1 4.16Å; D347-L361 HydrophobicContact CB-CD2 3.98Å; D347-L361 HydrophobicContact CB-CG 4.14Å
348	R	92.6	Very high	86.6	Confident	44 Å²	44	51.7 Å²	51.7	17%	0.166	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.7	-21.2	-175	72.8	-170.8	173.6	168.2	-8.2	114.5	E286 L312 P330 H331 F333 K350	E286-R348 IonicContact OE1-CZ 3.21Å; E286-R348 IonicContact OE1-NH1 2.69Å; E286-R348 IonicContact OE1-NH2 3.19Å; E286-R348 PolarHBondContact OE1-NH2 3.07Å; E286-R348 IonicContact OE2-CZ 3.76Å; E286-R348 IonicContact OE2-NH1 2.73Å; E286-R348 PolarHBondContact OE2-NH1 3.27Å; E286-R348 IonicContact OE2-NH2 2.74Å; E286-R348 PolarHBondContact OE2-NH2 2.75Å; L312-R348 HydrophobicContact CD1-CB 4.38Å; L312-R348 HydrophobicContact CD2-CB 4.06Å; P330-R348 PolarHBondContact O-NE 2.69Å; P330-R348 PolarHBondContact O-NH2 2.85Å; H331-R348 HydrophobicContact CB-CG 4.37Å; H331-R348 WeakPolarHBondContact O-CG 3.23Å; H331-R348 PolarHBondContact O-N 3.4Å; F333-R348 HydrophobicContact CD1-CB 4.08Å; F333-R348 HydrophobicContact CE1-CB 3.73Å; R348-K350 VanDerWaalsContact C-N 3.3Å
349	R	92.3	Very high	86.4	Confident	155 Å²	155	47.7 Å²	47.7	59%	0.585	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-78.9	-15.4	-179.9	-54.3	168.9	-62.2	-176.3	3.7	112.7	H331 D347	H331-R349 HydrophobicContact CB-CG 4.12Å; H331-R349 PolarHBondContact CD2-NH2 2.95Å; H331-R349 PolarHBondContact NE2-NH2 2.9Å; D347-R349 PolarHBondContact O-N 3.37Å; D347-R349 WeakPolarHBondContact OD1-CB 3.28Å; D347-R349 IonicContact OD1-CZ 3.01Å; D347-R349 PolarHBondContact OD1-N 3.39Å; D347-R349 VanDerWaalsContact OD1-N 3.1Å; D347-R349 IonicContact OD1-NE 2.86Å; D347-R349 PolarHBondContact OD1-NE 2.91Å; D347-R349 IonicContact OD1-NH2 3.24Å; D347-R349 IonicContact OD2-CZ 3.99Å; D347-R349 IonicContact OD2-NE 2.74Å; D347-R349 PolarHBondContact OD2-NE 2.84Å; D347-R349 IonicContact OD2-NH2 3.75Å; D347-R349 PolarHBondContact OD2-NH2 3.15Å
350	K	91.8	Very high	86.8	Confident	117 Å²	117	48.5 Å²	48.5	51%	0.509	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-108.6	3.2	-173.9	-66	179.1	-176.1	130.6	0	113.3	D347 R348 D352 S358 G359	D347-K350 HydrophobicContact CB-CB 4.43Å; D347-K350 HydrophobicContact CB-CD 4.07Å; D347-K350 HydrophobicContact CB-CG 4.32Å; D347-K350 PolarHBondContact O-N 3.39Å; D347-K350 VanDerWaalsContact OD2-CE 3.23Å; D347-K350 WeakPolarHBondContact OD2-CE 3.36Å; D347-K350 IonicContact OD2-NZ 2.68Å; D347-K350 PolarHBondContact OD2-NZ 2.99Å; R348-K350 VanDerWaalsContact C-N 3.3Å; K350-D352 PolarHBondContact O-N 3.44Å; K350-S358 CarbonylContact O-C 3.57Å; K350-G359 VanDerWaalsContact CB-CA 3.46Å; K350-G359 PolarHBondContact O-N 2.99Å; K350-G359 VanDerWaalsContact O-N 3.11Å
351	I	90.2	Very high	87.4	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.138	23%	0.23	C	C	.	.			trans	-84.2	109.9	-179.7	-51.2	178	0	0	0	109.7	L312 L313 F333 Y346	L312-I351 HydrophobicContact CD1-CD1 4.15Å; L312-I351 HydrophobicContact CD2-CD1 4.4Å; L312-I351 HydrophobicContact CG-CD1 3.99Å; L312-I351 WeakPolarHBondContact O-CG2 3.47Å; L313-I351 HydrophobicContact CD1-CG2 4.07Å; F333-I351 HydrophobicContact CE1-CD1 3.9Å; F333-I351 HydrophobicContact CZ-CD1 3.85Å; Y346-I351 HydrophobicContact CD1-CD1 4.07Å; Y346-I351 HydrophobicContact CD1-CG1 4.29Å; Y346-I351 HydrophobicContact CG-CD1 4.42Å
352	D	85.4	Confident	87.3	Confident	83 Å²	83	53.4 Å²	53.4	44%	0.444	24%	0.244	S	C	.	.			trans	-86	144.9	161.9	-174.2	4.9	0	0	0	109.4	K350 R354 S358	K350-D352 PolarHBondContact O-N 3.44Å; D352-R354 PolarHBondContact O-N 3.4Å; D352-R354 PolarHBondContact OD1-N 3.38Å; D352-S358 PolarHBondContact N-OG 3.08Å; D352-S358 PolarHBondContact O-OG 3.05Å
353	K	77.3	Confident	87.2	Confident	150 Å²	150	55.1 Å²	55.1	65%	0.652	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.5	178.6	-65.1	174.6	-179.7	170.4	0	113.2	H310	H310-K353 VanDerWaalsContact CE1-CE 3.43Å; H310-K353 WeakPolarHBondContact CE1-CE 3.28Å; H310-K353 VanDerWaalsContact NE2-CE 3.27Å; H310-K353 WeakPolarHBondContact NE2-CE 3.41Å; H310-K353 PolarHBondContact NE2-NZ 2.8Å
354	R	77.3	Confident	87.2	Confident	214 Å²	214	55.1 Å²	55.1	81%	0.808	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.7	-176.2	-64	173.3	171.8	165	-2.1	114.6	D352	D352-R354 PolarHBondContact O-N 3.4Å; D352-R354 PolarHBondContact OD1-N 3.38Å
355	D	78.6	Confident	87.1	Confident	67 Å²	67	55.2 Å²	55.2	36%	0.358	26%	0.255	S	S	.	.			trans	-134.9	115.4	-179.5	170.8	21.8	0	0	0	110.5	N357 S358	D355-N357 PolarHBondContact O-N 2.82Å; D355-N357 VanDerWaalsContact O-N 3.15Å; D355-N357 WeakPolarHBondContact OD1-CB 3.43Å; D355-N357 PolarHBondContact OD1-N 3.45Å; D355-N357 PolarHBondContact OD1-ND2 3.03Å; D355-S358 WeakPolarHBondContact O-CB 3.46Å; D355-S358 PolarHBondContact O-N 3.42Å; D355-S358 PolarHBondContact O-OG 3.33Å; D355-S358 PolarHBondContact OD2-N 3.3Å
356	P	70	Confident	86.8	Confident	17 Å²	17	55.2 Å²	55.2	11%	0.11	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.2	179.4	27.4	-34.8	0	0	0	114.6	L315 Y346 D454	L315-P356 HydrophobicContact CD2-CB 3.49Å; L315-P356 VanDerWaalsContact CD2-CB 3.49Å; Y346-P356 PolarHBondContact OH-O 2.95Å; P356-D454 WeakPolarHBondContact CG-OD1 3.4Å
357	N	74.8	Confident	86.4	Confident	43 Å²	43	59.7 Å²	59.7	23%	0.23	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.7	174.5	-47.7	-88.4	0	0	0	112.3	D355 G359 L360 P455	D355-N357 PolarHBondContact O-N 2.82Å; D355-N357 VanDerWaalsContact O-N 3.15Å; D355-N357 WeakPolarHBondContact OD1-CB 3.43Å; D355-N357 PolarHBondContact OD1-N 3.45Å; D355-N357 PolarHBondContact OD1-ND2 3.03Å; N357-G359 PolarHBondContact O-N 3.14Å; N357-L360 WeakPolarHBondContact O-CB 3.48Å; N357-L360 PolarHBondContact O-N 3.45Å; N357-P455 WeakPolarHBondContact ND2-CD 3.29Å
358	S	81.4	Confident	86	Confident	18 Å²	18	64.6 Å²	64.6	13%	0.126	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	131.3	179.8	66.4	0	0	0	0	110.3	K350 D352 D355 L360	K350-S358 CarbonylContact O-C 3.57Å; D352-S358 PolarHBondContact N-OG 3.08Å; D352-S358 PolarHBondContact O-OG 3.05Å; D355-S358 WeakPolarHBondContact O-CB 3.46Å; D355-S358 PolarHBondContact O-N 3.42Å; D355-S358 PolarHBondContact O-OG 3.33Å; D355-S358 PolarHBondContact OD2-N 3.3Å; S358-L360 PolarHBondContact O-N 2.87Å
359	G	86.4	Confident	85.7	Confident	12 Å²	12	62.8 Å²	62.8	12%	0.124	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	-3.9	-172.9	0	0	0	0	0	116.2	Y346 D347 K350 N357 L361	Y346-G359 CarbonylContact C-O 3.55Å; Y346-G359 VanDerWaalsContact CA-O 3.3Å; Y346-G359 WeakPolarHBondContact CA-O 3.45Å; D347-G359 PolarHBondContact N-O 3.09Å; K350-G359 VanDerWaalsContact CB-CA 3.46Å; K350-G359 PolarHBondContact O-N 2.99Å; K350-G359 VanDerWaalsContact O-N 3.11Å; N357-G359 PolarHBondContact O-N 3.14Å; G359-L361 PolarHBondContact O-N 3.23Å; G359-L361 VanDerWaalsContact O-N 3.17Å
360	L	92	Very high	85	Confident	48 Å²	48	57.4 Å²	57.4	25%	0.251	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	116.7	168.2	-179.5	65.8	0	0	0	108.6	R344 Y346 N357 S358	R344-L360 HydrophobicContact CB-CD1 3.75Å; R344-L360 HydrophobicContact CG-CD1 4.19Å; Y346-L360 HydrophobicContact CD1-CB 4.08Å; Y346-L360 HydrophobicContact CD1-CD1 4.49Å; Y346-L360 HydrophobicContact CD2-CD1 4.24Å; Y346-L360 HydrophobicContact CE1-CB 3.72Å; Y346-L360 HydrophobicContact CE1-CD1 4.15Å; Y346-L360 HydrophobicContact CE2-CD1 3.88Å; N357-L360 WeakPolarHBondContact O-CB 3.48Å; N357-L360 PolarHBondContact O-N 3.45Å; S358-L360 PolarHBondContact O-N 2.87Å
361	L	91.2	Very high	83.6	Confident	52 Å²	52	53 Å²	53	27%	0.272	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-61.2	174.8	-58.2	-176.8	0	0	0	109.7	E332 I345 D347 G359	E332-L361 HydrophobicContact CG-CD1 3.88Å; I345-L361 HydrophobicContact CG2-CD1 4.33Å; I345-L361 WeakPolarHBondContact O-CB 3.32Å; I345-L361 PolarHBondContact O-N 2.82Å; D347-L361 HydrophobicContact CB-CD1 4.16Å; D347-L361 HydrophobicContact CB-CD2 3.98Å; D347-L361 HydrophobicContact CB-CG 4.14Å; G359-L361 PolarHBondContact O-N 3.23Å; G359-L361 VanDerWaalsContact O-N 3.17Å
362	H	88.2	Confident	81.7	Confident	70 Å²	70	55.4 Å²	55.4	32%	0.324	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.7	-163.9	-58.6	-28.9	0	0	0	111.5	I345 V492 P495	I345-H362 HydrophobicContact CB-CB 4.49Å; I345-H362 PolarHBondContact N-O 3.43Å; I345-H362 PolarHBondContact O-N 2.7Å; H362-V492 PolarHBondContact CD2-O 2.83Å; H362-P495 HydrophobicContact CB-CB 3.94Å; H362-P495 HydrophobicContact CB-CG 4.09Å
363	T	91.1	Very high	79.8	Confident	37 Å²	37	58.6 Å²	58.6	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	103.2	172.6	-57.8	0	0	0	0	109.8	I342 V343 R370 F459	I342-T363 HydrophobicContact CB-CG2 3.82Å; I342-T363 HydrophobicContact CD1-CG2 3.68Å; I342-T363 HydrophobicContact CG1-CG2 4.31Å; I342-T363 HydrophobicContact CG2-CG2 4.06Å; V343-T363 CarbonylContact O-C 3.55Å; V343-T363 WeakPolarHBondContact O-CA 3.41Å; T363-R370 PolarHBondContact O-NH2 2.87Å; T363-F459 HydrophobicContact CG2-CE1 4.31Å; T363-F459 HydrophobicContact CG2-CZ 4.03Å
364	I	92.6	Very high	77.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	162.5	-176.2	-60.9	-175.6	0	0	0	109.6	I342 V343 I345 R370 I478 L480 F490 P495	I342-I364 CarbonylContact C-O 3.56Å; I342-I364 VanDerWaalsContact CA-O 3.23Å; I342-I364 WeakPolarHBondContact CA-O 3.3Å; I342-I364 WeakPolarHBondContact CB-O 3.09Å; V343-I364 PolarHBondContact N-O 3.45Å; V343-I364 PolarHBondContact O-N 3.27Å; I345-I364 HydrophobicContact CD1-CD1 3.71Å; I345-I364 HydrophobicContact CD1-CG1 4.4Å; I364-R370 PolarHBondContact O-NH2 2.83Å; I364-R370 VanDerWaalsContact O-NH2 3.15Å; I364-I478 HydrophobicContact CD1-CG2 4.01Å; I364-I478 HydrophobicContact CG2-CG2 4.37Å; I364-L480 HydrophobicContact CG2-CD1 4.3Å; I364-F490 HydrophobicContact CG2-CB 3.56Å; I364-F490 HydrophobicContact CG2-CD1 3.54Å; I364-F490 HydrophobicContact CG2-CD2 3.73Å; I364-F490 HydrophobicContact CG2-CE1 4.12Å; I364-F490 HydrophobicContact CG2-CE2 4.3Å; I364-F490 HydrophobicContact CG2-CG 3.32Å; I364-F490 HydrophobicContact CG2-CZ 4.47Å; I364-P495 HydrophobicContact CD1-CB 4.01Å; I364-P495 HydrophobicContact CG1-CB 3.78Å
365	G	90.6	Very high	75.6	Confident	2 Å²	2	57 Å²	57	2%	0.021	29%	0.285	C	S	.	.			trans	145.6	152.7	178.6	0	0	0	0	0	112.4	D367 R370 Y482	G365-D367 PolarHBondContact O-N 2.63Å; G365-R370 VanDerWaalsContact O-CZ 3.23Å; G365-R370 PolarHBondContact O-NE 3.29Å; G365-Y482 VanDerWaalsContact CA-OH 3.24Å; G365-Y482 WeakPolarHBondContact CA-OH 3.34Å
366	A	90	Very high	73.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.			trans	-72	121.2	-173.3	0	0	0	0	0	111.8	H368 L369 R370 Y482 Y488 F490	A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 2.97Å; A366-H368 VanDerWaalsContact O-N 3.15Å; A366-L369 HydrophobicContact CB-CB 4.49Å; A366-L369 HydrophobicContact CB-CD1 4.1Å; A366-L369 HydrophobicContact CB-CG 4.12Å; A366-L369 PolarHBondContact O-N 3.07Å; A366-R370 PolarHBondContact O-N 3.26Å; A366-Y482 PolarHBondContact N-OH 3.14Å; A366-Y488 HydrophobicContact CB-CG 4.47Å; A366-F490 HydrophobicContact CB-CZ 4.15Å
367	D	85	Confident	71.3	Confident	94 Å²	94	60.5 Å²	60.5	50%	0.503	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.4	-170.4	-67.6	-55.9	0	0	0	115	G365 L369 R370	G365-D367 PolarHBondContact O-N 2.63Å; D367-L369 VanDerWaalsContact C-N 3.25Å; D367-L369 PolarHBondContact O-N 2.93Å; D367-R370 PolarHBondContact O-N 3.46Å; D367-R370 WeakPolarHBondContact OD1-CD 3.42Å; D367-R370 IonicContact OD1-CZ 2.95Å; D367-R370 IonicContact OD1-NE 3.51Å; D367-R370 IonicContact OD1-NH1 2.87Å; D367-R370 PolarHBondContact OD1-NH1 3.1Å
368	H	86.6	Confident	69.2	Low	106 Å²	106	67.7 Å²	67.7	49%	0.491	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-75.6	-11.9	175.1	69.1	-85.9	0	0	0	113.7	A366 Y488	A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 2.97Å; A366-H368 VanDerWaalsContact O-N 3.15Å; H368-Y488 AromaticContact CE1-CE1 3.79Å; H368-Y488 AromaticContact CE1-CZ 3.73Å; H368-Y488 PolarHBondContact CE1-OH 3.14Å; H368-Y488 AromaticContact NE2-CZ 3.86Å; H368-Y488 PolarHBondContact NE2-OH 3.23Å
369	L	86.8	Confident	66.6	Low	5 Å²	5	74.9 Å²	74.9	3%	0.026	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-100.4	-5.7	173.8	-53.8	-176.1	0	0	0	112.3	S341 A366 D367 T462 Y464 Y482 E485 Y488	S341-L369 WeakPolarHBondContact CB-O 3.27Å; S341-L369 VanDerWaalsContact OG-C 3.31Å; S341-L369 PolarHBondContact OG-O 2.93Å; A366-L369 HydrophobicContact CB-CB 4.49Å; A366-L369 HydrophobicContact CB-CD1 4.1Å; A366-L369 HydrophobicContact CB-CG 4.12Å; A366-L369 PolarHBondContact O-N 3.07Å; D367-L369 VanDerWaalsContact C-N 3.25Å; D367-L369 PolarHBondContact O-N 2.93Å; L369-T462 WeakPolarHBondContact O-CG2 3.32Å; L369-Y464 HydrophobicContact CB-CD2 3.9Å; L369-Y464 HydrophobicContact CB-CE2 4.48Å; L369-Y464 HydrophobicContact CB-CG 4.45Å; L369-Y464 HydrophobicContact CD2-CD2 3.78Å; L369-Y464 HydrophobicContact CD2-CE1 4.5Å; L369-Y464 HydrophobicContact CD2-CE2 3.66Å; L369-Y464 HydrophobicContact CD2-CG 4.26Å; L369-Y464 HydrophobicContact CG-CD2 4.35Å; L369-Y482 HydrophobicContact CB-CE1 4.47Å; L369-Y482 HydrophobicContact CD1-CD1 3.68Å; L369-Y482 HydrophobicContact CD1-CD2 4.23Å; L369-Y482 HydrophobicContact CD1-CE1 3.74Å; L369-Y482 HydrophobicContact CD1-CE2 4.29Å; L369-Y482 HydrophobicContact CD1-CG 3.92Å; L369-E485 HydrophobicContact CD1-CB 4.26Å; L369-E485 HydrophobicContact CD1-CG 3.95Å; L369-E485 HydrophobicContact CD2-CG 3.74Å; L369-Y488 HydrophobicContact CD1-CE2 4.05Å
370	R	77.7	Confident	63.9	Low	43 Å²	43	75.7 Å²	75.7	16%	0.162	39%	0.386	C	S	.	.	S	Bend	trans	-81.7	153.2	175.5	-68.1	177.9	170.1	167.4	-14	110.6	S341 I342 T363 I364 G365 A366 D367	S341-R370 WeakPolarHBondContact OG-CA 3.16Å; I342-R370 HydrophobicContact CG2-CG 4.22Å; T363-R370 PolarHBondContact O-NH2 2.87Å; I364-R370 PolarHBondContact O-NH2 2.83Å; I364-R370 VanDerWaalsContact O-NH2 3.15Å; G365-R370 VanDerWaalsContact O-CZ 3.23Å; G365-R370 PolarHBondContact O-NE 3.29Å; A366-R370 PolarHBondContact O-N 3.26Å; D367-R370 PolarHBondContact O-N 3.46Å; D367-R370 WeakPolarHBondContact OD1-CD 3.42Å; D367-R370 IonicContact OD1-CZ 2.95Å; D367-R370 IonicContact OD1-NE 3.51Å; D367-R370 IonicContact OD1-NH1 2.87Å; D367-R370 PolarHBondContact OD1-NH1 3.1Å
371	G	62.1	Low	60.9	Low	23 Å²	23	78.6 Å²	78.6	24%	0.237	41%	0.406	C	S	.	.			trans	-57.9	157.7	170.4	0	0	0	0	0	112.9	R373 E460	G371-R373 VanDerWaalsContact C-N 3.28Å; G371-R373 PolarHBondContact O-N 3.47Å; G371-E460 WeakPolarHBondContact CA-OE2 3.39Å
372	D	50.2	Low	58	Low	79 Å²	79	83.4 Å²	83.4	42%	0.422	44%	0.437	S	S	.	.			trans	-80.9	73.7	-165.1	-164.4	-8.7	0	0	0	111.9	R374 S375 R425 E460	D372-R374 PolarHBondContact O-N 3.38Å; D372-S375 WeakPolarHBondContact O-CB 3.19Å; D372-S375 PolarHBondContact O-N 2.91Å; D372-S375 PolarHBondContact O-OG 2.91Å; D372-R425 IonicContact OD2-NH1 3.52Å; D372-E460 PolarHBondContact N-OE2 2.96Å
373	R	46	Very low	55.2	Low	150 Å²	150	85.9 Å²	85.9	57%	0.566	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-50.7	-27.9	-178.1	-79	-176.3	162.1	-164.5	-7.1	113.5	G371 S375 S376	G371-R373 VanDerWaalsContact C-N 3.28Å; G371-R373 PolarHBondContact O-N 3.47Å; R373-S375 PolarHBondContact O-N 3.06Å; R373-S375 VanDerWaalsContact O-N 3.14Å; R373-S376 PolarHBondContact O-N 2.69Å; R373-S376 VanDerWaalsContact O-N 3.07Å; R373-S376 PolarHBondContact O-OG 3.07Å
374	R	35.3	Very low	52.2	Low	241 Å²	241	87.1 Å²	87.1	91%	0.909	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-64.6	-15.7	179.9	-67.5	-176	173	-172.3	-2.6	113.5	D372 S376	D372-R374 PolarHBondContact O-N 3.38Å; R374-S376 VanDerWaalsContact C-N 3.32Å
375	S	30.9	Very low	49.2	Very low	89 Å²	89	94.4 Å²	94.4	62%	0.622	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-79.2	-6.4	173.6	68.2	0	0	0	0	114.8	D372 R373	D372-S375 WeakPolarHBondContact O-CB 3.19Å; D372-S375 PolarHBondContact O-N 2.91Å; D372-S375 PolarHBondContact O-OG 2.91Å; R373-S375 PolarHBondContact O-N 3.06Å; R373-S375 VanDerWaalsContact O-N 3.14Å
376	S	29.3	Very low	46.3	Very low	70 Å²	70	104.9 Å²	104.9	49%	0.49	53%	0.534	S	S	.	.	S	Bend	trans	-134.9	91.6	-172.2	62.8	0	0	0	0	115.1	R373 R374	R373-S376 PolarHBondContact O-N 2.69Å; R373-S376 VanDerWaalsContact O-N 3.07Å; R373-S376 PolarHBondContact O-OG 3.07Å; R374-S376 VanDerWaalsContact C-N 3.32Å
377	N	29.5	Very low	43.4	Very low	87 Å²	87	112.4 Å²	112.4	47%	0.465	56%	0.562	S	S	.	*			trans	81.1	108.8	163.2	-46.2	-87.3	0	0	0	118.5	G380 V381	N377-G380 VanDerWaalsContact OD1-CA 3.24Å; N377-G380 WeakPolarHBondContact OD1-CA 3.45Å; N377-V381 HydrophobicContact CB-CB 4.48Å; N377-V381 VanDerWaalsContact ND2-CG2 3.34Å; N377-V381 WeakPolarHBondContact ND2-CG2 3.39Å; N377-V381 WeakPolarHBondContact OD1-CG2 3.36Å; N377-V381 PolarHBondContact OD1-N 2.87Å; N377-V381 VanDerWaalsContact OD1-N 3.08Å
378	E	29.6	Very low	40.8	Very low	195 Å²	195	113.3 Å²	113.3	91%	0.911	57%	0.566	S	S	*	*	S	Bend	trans	-104.9	-10	135.7	-68.7	-169.6	138.7	0	0	112.6
379	N	27.7	Very low	38.3	Very low	168 Å²	168	115.4 Å²	115.4	90%	0.898	58%	0.58	S	S	*	*	S	Bend	trans	-130.8	5.2	-171	-81.8	-59.3	0	0	0	116.8
380	G	29.1	Very low	35.8	Very low	30 Å²	30	121.4 Å²	121.4	31%	0.309	61%	0.612	S	S	.	*	S	Bend	trans	-113	-63.1	-168.6	0	0	0	0	0	117.4	N377 V382	N377-G380 VanDerWaalsContact OD1-CA 3.24Å; N377-G380 WeakPolarHBondContact OD1-CA 3.45Å; G380-V382 PolarHBondContact O-N 3Å
381	V	29.9	Very low	33.5	Very low	109 Å²	109	123.4 Å²	123.4	66%	0.661	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	-154.3	147.1	0	0	0	0	116.9	N377 Q383	N377-V381 HydrophobicContact CB-CB 4.48Å; N377-V381 VanDerWaalsContact ND2-CG2 3.34Å; N377-V381 WeakPolarHBondContact ND2-CG2 3.39Å; N377-V381 WeakPolarHBondContact OD1-CG2 3.36Å; N377-V381 PolarHBondContact OD1-N 2.87Å; N377-V381 VanDerWaalsContact OD1-N 3.08Å; V381-Q383 VanDerWaalsContact C-N 3.34Å; V381-Q383 PolarHBondContact O-N 2.81Å
382	V	29.5	Very low	32	Very low	153 Å²	153	127.4 Å²	127.4	93%	0.927	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-13.3	-176.5	-177.5	0	0	0	0	113.8	G380	G380-V382 PolarHBondContact O-N 3Å
383	Q	29	Very low	31.1	Very low	121 Å²	121	135.2 Å²	135.2	57%	0.565	68%	0.679	S	S	*	*	S	Bend	trans	-129.7	6.4	-173	-135.5	169.5	37.9	0	0	116.2	V381 R387	V381-Q383 VanDerWaalsContact C-N 3.34Å; V381-Q383 PolarHBondContact O-N 2.81Å; Q383-R387 VanDerWaalsContact OE1-NH2 3.09Å
384	V	28.9	Very low	30.3	Very low	64 Å²	64	132.6 Å²	132.6	39%	0.388	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-71.6	-40.7	-173.7	152	0	0	0	0	113.9	R386 R387 L388	V384-R386 PolarHBondContact O-N 2.64Å; V384-R387 PolarHBondContact O-N 2.7Å; V384-L388 HydrophobicContact CG1-CD1 3.9Å
385	N	29.5	Very low	30	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-68.9	8.9	-173.5	-90.7	-1.1	0	0	0	116.3
386	R	30.6	Very low	29.8	Very low	222 Å²	222	136.3 Å²	136.3	84%	0.838	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-128.1	-8.2	169.1	-81.6	-169.8	176.9	-176	0.8	115.7	V384	V384-R386 PolarHBondContact O-N 2.64Å
387	R	28	Very low	29.7	Very low	158 Å²	158	141.5 Å²	141.5	60%	0.596	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-33.4	-176.5	-72.1	-172.3	177.7	139	6.3	114.3	Q383 V384 I389 N390 S391	Q383-R387 VanDerWaalsContact OE1-NH2 3.09Å; V384-R387 PolarHBondContact O-N 2.7Å; R387-I389 VanDerWaalsContact C-N 3.29Å; R387-I389 PolarHBondContact O-N 2.74Å; R387-N390 PolarHBondContact O-N 2.94Å; R387-S391 PolarHBondContact O-N 2.79Å
388	L	31.1	Very low	29.7	Very low	113 Å²	113	142.7 Å²	142.7	59%	0.592	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-18.5	-174.2	-105.3	150	0	0	0	114.8	V384	V384-L388 HydrophobicContact CG1-CD1 3.9Å
389	I	34.4	Very low	29.8	Very low	151 Å²	151	139 Å²	139	77%	0.774	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-22.8	173.9	-67.3	173.7	0	0	0	112.4	R387	R387-I389 VanDerWaalsContact C-N 3.29Å; R387-I389 PolarHBondContact O-N 2.74Å
390	N	32.9	Very low	29.8	Very low	130 Å²	130	139.1 Å²	139.1	70%	0.695	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-12	-174.1	-71.7	-21.9	0	0	0	114.7	R387	R387-N390 PolarHBondContact O-N 2.94Å
391	S	29.5	Very low	29.9	Very low	86 Å²	86	143.3 Å²	143.3	60%	0.601	75%	0.746	S	S	*	*	S	Bend	trans	-83.7	-26.7	-173.6	-156.1	0	0	0	0	114.3	R387 R393	R387-S391 PolarHBondContact O-N 2.79Å; S391-R393 PolarHBondContact O-N 2.92Å
392	C	30.4	Very low	30	Very low	106 Å²	106	142.5 Å²	142.5	72%	0.716	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	36.3	-170.7	-60.5	0	0	0	0	114.6
393	R	31.2	Very low	30.2	Very low	244 Å²	244	142.1 Å²	142.1	92%	0.921	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	3	-175.3	-87.9	-172.7	171.7	-178	-2.3	116.6	S391	S391-R393 PolarHBondContact O-N 2.92Å
394	S	30.7	Very low	30.7	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	75%	0.748	S	S	*	*	S	Bend	trans	-141.6	8.6	-167.4	63.1	0	0	0	0	118.4
395	R	28.5	Very low	30.8	Very low	242 Å²	242	146 Å²	146	91%	0.913	77%	0.769	S	S	*	*			trans	-134.4	73.3	-178.7	-66	-167.9	-178.7	-164.4	-0.6	114.4
396	L	26.3	Very low	31.2	Very low	165 Å²	165	144.3 Å²	144.3	86%	0.864	77%	0.769	S	S	*	*			trans	-114.7	112.4	150.8	-78.2	168.1	0	0	0	106.8
397	H	27.8	Very low	31.2	Very low	180 Å²	180	140.9 Å²	140.9	83%	0.833	77%	0.768	S	S	*	*			trans	163.7	142.7	152.9	-107.5	-106.2	0	0	0	110.9
398	S	29.6	Very low	31.6	Very low	111 Å²	111	139 Å²	139	78%	0.776	78%	0.779	S	S	*	*			trans	59	145.8	162.4	46.9	0	0	0	0	119.2
399	S	32.1	Very low	31.5	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	79%	0.789	S	S	*	*			cis	-164	167.2	-12.8	42.5	0	0	0	0	110.5
400	I	27.2	Very low	31.5	Very low	171 Å²	171	138.6 Å²	138.6	88%	0.877	79%	0.787	S	S	*	*			trans	-96.4	140.5	-179.3	-62.6	159.8	0	0	0	110.6
401	S	31.3	Very low	31.8	Very low	118 Å²	118	137.8 Å²	137.8	83%	0.825	78%	0.783	S	S	*	*			trans	-162.2	155.3	150.6	57.2	0	0	0	0	111
402	S	32.1	Very low	31.9	Very low	92 Å²	92	136.6 Å²	136.6	64%	0.643	78%	0.775	S	S	*	*			trans	-101.3	165.3	-173.9	41.6	0	0	0	0	113.3
403	D	34.1	Very low	32.3	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	77%	0.768	S	S	*	*				158	158.1	105	-85.7	-55.5	0	0	0	116.7
404	S	37.8	Very low	32.5	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	76%	0.758	S	S	*	*			trans	71.4	148.9	161.8	78	0	0	0	0	122.7
405	D	32.4	Very low	32.7	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	75%	0.754	S	S	*	*			trans	-115.8	163	-155.6	-37.5	-95.8	0	0	0	114.4
406	S	36.9	Very low	33.1	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	74%	0.737	S	S	*	*			trans	-167.9	139.7	148.4	45.6	0	0	0	0	111.5
407	D	31.6	Very low	33.7	Very low	151 Å²	151	123.9 Å²	123.9	81%	0.807	72%	0.723	S	S	*	*			trans	-85	149.3	-167.7	-47.5	-85	0	0	0	115
408	S	35.5	Very low	34.3	Very low	119 Å²	119	118 Å²	118	83%	0.832	70%	0.702	S	S	*	*			trans	-172	103.1	147.8	23.2	0	0	0	0	112
409	D	30.1	Very low	34.8	Very low	151 Å²	151	117.5 Å²	117.5	81%	0.807	69%	0.69	S	S	*	*			trans	-80.5	130	177.6	-76	-61.4	0	0	0	113.4
410	S	33.9	Very low	35.6	Very low	104 Å²	104	114.9 Å²	114.9	73%	0.727	67%	0.672	S	S	*	*	S	Bend	trans	-170.4	-42.5	148.6	6.3	0	0	0	0	114.5
411	D	37.9	Very low	36.6	Very low	113 Å²	113	110.5 Å²	110.5	60%	0.604	65%	0.653	S	S	*	*	S	Bend	trans	-95.7	-3.2	-162	-81.1	-35.6	0	0	0	117	N413 H414 L415	D411-N413 VanDerWaalsContact C-N 3.32Å; D411-N413 PolarHBondContact O-N 3.45Å; D411-H414 PolarHBondContact O-N 3.27Å; D411-L415 PolarHBondContact O-N 3.01Å
412	S	33	Very low	37.2	Very low	61 Å²	61	109.7 Å²	109.7	43%	0.427	64%	0.636	S	S	.	*	H	α-helix	trans	-56.1	-38.7	-170.7	55.5	0	0	0	0	114.4	L415 L416	S412-L415 PolarHBondContact O-N 3.32Å; S412-L416 WeakPolarHBondContact O-CG 3.46Å; S412-L416 PolarHBondContact O-N 2.83Å
413	N	37.7	Very low	38	Very low	110 Å²	110	110.3 Å²	110.3	59%	0.588	63%	0.632	S	S	*	*	H	α-helix	trans	-72.2	-28.1	-177.7	-73.2	-44.1	0	0	0	114.1	D411 N417	D411-N413 VanDerWaalsContact C-N 3.32Å; D411-N413 PolarHBondContact O-N 3.45Å; N413-N417 PolarHBondContact O-N 3.39Å; N413-N417 PolarHBondContact O-ND2 2.75Å
414	H	37	Very low	38.8	Very low	152 Å²	152	104.9 Å²	104.9	70%	0.704	61%	0.61	S	S	*	*	H	α-helix	trans	-75.1	-36.8	172.8	-94.2	-70.6	0	0	0	111.4	D411 S418	D411-H414 PolarHBondContact O-N 3.27Å; H414-S418 WeakPolarHBondContact O-CB 3.34Å; H414-S418 PolarHBondContact O-N 2.98Å
415	L	34.5	Very low	39.2	Very low	109 Å²	109	106.9 Å²	106.9	57%	0.571	60%	0.6	S	S	*	*	H	α-helix	trans	-65.2	-44.8	174	-72.5	173.2	0	0	0	112	D411 S412 N417 S418 L419	D411-L415 PolarHBondContact O-N 3.01Å; S412-L415 PolarHBondContact O-N 3.32Å; L415-N417 PolarHBondContact O-N 2.89Å; L415-S418 PolarHBondContact O-N 3.49Å; L415-L419 WeakPolarHBondContact O-CB 3.4Å; L415-L419 VanDerWaalsContact O-CG 3.27Å; L415-L419 WeakPolarHBondContact O-CG 3.45Å; L415-L419 PolarHBondContact O-N 2.71Å
416	L	35.3	Very low	39.8	Very low	109 Å²	109	108.3 Å²	108.3	57%	0.571	59%	0.594	S	S	*	*	H	α-helix	trans	-62.1	-41	177.5	-75.9	168.8	0	0	0	112.8	S412 L419 S420	S412-L416 WeakPolarHBondContact O-CG 3.46Å; S412-L416 PolarHBondContact O-N 2.83Å; L416-L419 PolarHBondContact O-N 3.1Å; L416-S420 WeakPolarHBondContact O-CB 3.08Å; L416-S420 PolarHBondContact O-N 2.83Å; L416-S420 PolarHBondContact O-OG 2.9Å
417	N	39.5	Very low	40.7	Very low	104 Å²	104	106.7 Å²	106.7	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-70.6	-34.9	175.1	-79.3	-54.9	0	0	0	113.2	N413 L415 S420 V421	N413-N417 PolarHBondContact O-N 3.39Å; N413-N417 PolarHBondContact O-ND2 2.75Å; L415-N417 PolarHBondContact O-N 2.89Å; N417-S420 PolarHBondContact O-OG 2.85Å; N417-S420 VanDerWaalsContact O-OG 3.09Å; N417-V421 WeakPolarHBondContact O-CG2 3.44Å; N417-V421 PolarHBondContact O-N 2.91Å; N417-V421 VanDerWaalsContact O-N 3.15Å
418	S	41.4	Very low	41.4	Very low	58 Å²	58	106.2 Å²	106.2	41%	0.406	56%	0.562	S	S	.	*	H	α-helix	trans	-63.4	-45.6	171.7	-173.4	0	0	0	0	111.2	H414 L415 V421 Q422	H414-S418 WeakPolarHBondContact O-CB 3.34Å; H414-S418 PolarHBondContact O-N 2.98Å; L415-S418 PolarHBondContact O-N 3.49Å; S418-V421 PolarHBondContact O-N 2.87Å; S418-Q422 WeakPolarHBondContact O-CB 3.36Å; S418-Q422 WeakPolarHBondContact O-CG 3.29Å; S418-Q422 PolarHBondContact O-N 2.91Å
419	L	40.5	Very low	41.8	Very low	99 Å²	99	102.7 Å²	102.7	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-66.7	-38.6	178.2	-73.3	168.3	0	0	0	112.6	L415 L416 Q422 L423	L415-L419 WeakPolarHBondContact O-CB 3.4Å; L415-L419 VanDerWaalsContact O-CG 3.27Å; L415-L419 WeakPolarHBondContact O-CG 3.45Å; L415-L419 PolarHBondContact O-N 2.71Å; L416-L419 PolarHBondContact O-N 3.1Å; L419-Q422 PolarHBondContact O-N 3.29Å; L419-L423 WeakPolarHBondContact O-CB 3.48Å; L419-L423 PolarHBondContact O-N 2.99Å
420	S	48	Very low	42.6	Very low	63 Å²	63	99.8 Å²	99.8	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-66.7	-40.9	177.1	73.3	0	0	0	0	111.7	L416 N417 L423 G424	L416-S420 WeakPolarHBondContact O-CB 3.08Å; L416-S420 PolarHBondContact O-N 2.83Å; L416-S420 PolarHBondContact O-OG 2.9Å; N417-S420 PolarHBondContact O-OG 2.85Å; N417-S420 VanDerWaalsContact O-OG 3.09Å; S420-L423 PolarHBondContact O-N 2.81Å; S420-G424 PolarHBondContact O-N 2.82Å
421	V	47.9	Very low	43.3	Very low	80 Å²	80	99.3 Å²	99.3	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-66.3	-43.2	173.8	172.1	0	0	0	0	111.4	N417 S418 G424 R425	N417-V421 WeakPolarHBondContact O-CG2 3.44Å; N417-V421 PolarHBondContact O-N 2.91Å; N417-V421 VanDerWaalsContact O-N 3.15Å; S418-V421 PolarHBondContact O-N 2.87Å; V421-G424 PolarHBondContact O-N 2.77Å; V421-R425 WeakPolarHBondContact O-CG 3.5Å; V421-R425 PolarHBondContact O-N 2.88Å
422	Q	45	Very low	43.8	Very low	101 Å²	101	96 Å²	96	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-44.2	175.1	-75.9	-173.5	6	0	0	112.2	S418 L419 R425 R426	S418-Q422 WeakPolarHBondContact O-CB 3.36Å; S418-Q422 WeakPolarHBondContact O-CG 3.29Å; S418-Q422 PolarHBondContact O-N 2.91Å; L419-Q422 PolarHBondContact O-N 3.29Å; Q422-R425 PolarHBondContact O-N 3.07Å; Q422-R426 VanDerWaalsContact O-CG 3.31Å; Q422-R426 WeakPolarHBondContact O-CG 3.35Å; Q422-R426 PolarHBondContact O-N 3.01Å
423	L	48.4	Very low	44.4	Very low	105 Å²	105	94.4 Å²	94.4	55%	0.55	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-43.4	176.9	-176.1	62.5	0	0	0	110.8	L419 S420 R425 R426 I427	L419-L423 WeakPolarHBondContact O-CB 3.48Å; L419-L423 PolarHBondContact O-N 2.99Å; S420-L423 PolarHBondContact O-N 2.81Å; L423-R425 VanDerWaalsContact C-N 3.34Å; L423-R425 PolarHBondContact O-N 2.95Å; L423-R426 PolarHBondContact O-N 2.92Å; L423-I427 HydrophobicContact CD1-CD1 4.05Å; L423-I427 HydrophobicContact CD1-CG1 4.23Å; L423-I427 HydrophobicContact CD2-CD1 4.47Å; L423-I427 HydrophobicContact CG-CD1 3.82Å; L423-I427 HydrophobicContact CG-CG1 4.39Å; L423-I427 WeakPolarHBondContact O-CB 3.21Å; L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 2.91Å
424	G	50.4	Low	44.9	Very low	30 Å²	30	93.6 Å²	93.6	31%	0.309	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-37.8	174.1	0	0	0	0	0	113.5	S420 V421 R428	S420-G424 PolarHBondContact O-N 2.82Å; V421-G424 PolarHBondContact O-N 2.77Å; G424-R428 VanDerWaalsContact O-CB 3.24Å; G424-R428 WeakPolarHBondContact O-CB 3.38Å; G424-R428 PolarHBondContact O-N 3.17Å; G424-R428 VanDerWaalsContact O-N 3.16Å
425	R	46.3	Very low	45.6	Very low	153 Å²	153	93.9 Å²	93.9	58%	0.577	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-49.6	170.6	-72.2	176.1	-173.1	-165	2.9	111.4	D372 V421 Q422 L423 R428 A429	D372-R425 IonicContact OD2-NH1 3.52Å; V421-R425 WeakPolarHBondContact O-CG 3.5Å; V421-R425 PolarHBondContact O-N 2.88Å; Q422-R425 PolarHBondContact O-N 3.07Å; L423-R425 VanDerWaalsContact C-N 3.34Å; L423-R425 PolarHBondContact O-N 2.95Å; R425-R428 PolarHBondContact O-N 2.9Å; R425-A429 WeakPolarHBondContact O-CB 3.39Å; R425-A429 PolarHBondContact O-N 3.29Å
426	R	44.8	Very low	46.2	Very low	184 Å²	184	89.1 Å²	89.1	69%	0.694	46%	0.459	S	S	*	.	H	α-helix	trans	-65	-41.1	-177.3	-68	176.1	86.6	-176.8	7.1	112.6	Q422 L423 A429 V430	Q422-R426 VanDerWaalsContact O-CG 3.31Å; Q422-R426 WeakPolarHBondContact O-CG 3.35Å; Q422-R426 PolarHBondContact O-N 3.01Å; L423-R426 PolarHBondContact O-N 2.92Å; R426-A429 PolarHBondContact O-N 3.09Å; R426-V430 WeakPolarHBondContact O-CG2 3.49Å; R426-V430 PolarHBondContact O-N 2.88Å
427	I	55.7	Low	46.7	Very low	85 Å²	85	93 Å²	93	44%	0.436	47%	0.466	S	S	.	.	H	α-helix	trans	-61.7	-44.9	172.9	-69.9	171.1	0	0	0	110.2	L423 A429 V430 L431	L423-I427 HydrophobicContact CD1-CD1 4.05Å; L423-I427 HydrophobicContact CD1-CG1 4.23Å; L423-I427 HydrophobicContact CD2-CD1 4.47Å; L423-I427 HydrophobicContact CG-CD1 3.82Å; L423-I427 HydrophobicContact CG-CG1 4.39Å; L423-I427 WeakPolarHBondContact O-CB 3.21Å; L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 2.91Å; I427-A429 PolarHBondContact O-N 3.42Å; I427-V430 PolarHBondContact O-N 2.92Å; I427-L431 HydrophobicContact CG2-CD1 3.78Å; I427-L431 HydrophobicContact CG2-CG 4.25Å; I427-L431 WeakPolarHBondContact O-CB 3.32Å; I427-L431 WeakPolarHBondContact O-CG 3.45Å; I427-L431 PolarHBondContact O-N 2.82Å
428	R	47.4	Very low	46.9	Very low	141 Å²	141	90.6 Å²	90.6	53%	0.532	46%	0.461	S	S	.	.	H	α-helix	trans	-65.1	-38.3	179	-158.3	175.6	-56.1	-128.1	-1.8	112.2	G424 R425 L431 N432	G424-R428 VanDerWaalsContact O-CB 3.24Å; G424-R428 WeakPolarHBondContact O-CB 3.38Å; G424-R428 PolarHBondContact O-N 3.17Å; G424-R428 VanDerWaalsContact O-N 3.16Å; R425-R428 PolarHBondContact O-N 2.9Å; R428-L431 PolarHBondContact O-N 3.02Å; R428-N432 VanDerWaalsContact O-CB 3.3Å; R428-N432 WeakPolarHBondContact O-CB 3.35Å; R428-N432 VanDerWaalsContact O-CG 3.24Å; R428-N432 PolarHBondContact O-N 3.04Å
429	A	44.4	Very low	47.1	Very low	44 Å²	44	94.7 Å²	94.7	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-43.4	172.3	0	0	0	0	0	112.2	R425 R426 I427 N432 G433	R425-A429 WeakPolarHBondContact O-CB 3.39Å; R425-A429 PolarHBondContact O-N 3.29Å; R426-A429 PolarHBondContact O-N 3.09Å; I427-A429 PolarHBondContact O-N 3.42Å; A429-N432 PolarHBondContact O-N 2.73Å; A429-G433 PolarHBondContact O-N 2.98Å
430	V	45.6	Very low	47.2	Very low	91 Å²	91	91.1 Å²	91.1	55%	0.552	45%	0.452	S	S	*	.	H	α-helix	trans	-64.6	-44.1	175	169.6	0	0	0	0	111.5	R426 I427 G433 L434	R426-V430 WeakPolarHBondContact O-CG2 3.49Å; R426-V430 PolarHBondContact O-N 2.88Å; I427-V430 PolarHBondContact O-N 2.92Å; V430-G433 PolarHBondContact O-N 2.85Å; V430-L434 HydrophobicContact CG1-CD1 3.86Å; V430-L434 HydrophobicContact CG1-CG 4.39Å; V430-L434 WeakPolarHBondContact O-CB 3.33Å; V430-L434 VanDerWaalsContact O-CG 3.27Å; V430-L434 WeakPolarHBondContact O-CG 3.49Å; V430-L434 PolarHBondContact O-N 2.86Å
431	L	48	Very low	46.9	Very low	93 Å²	93	91.7 Å²	91.7	49%	0.487	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-38.8	176.7	-72.6	172.7	0	0	0	112.5	I427 R428 L434 R435	I427-L431 HydrophobicContact CG2-CD1 3.78Å; I427-L431 HydrophobicContact CG2-CG 4.25Å; I427-L431 WeakPolarHBondContact O-CB 3.32Å; I427-L431 WeakPolarHBondContact O-CG 3.45Å; I427-L431 PolarHBondContact O-N 2.82Å; R428-L431 PolarHBondContact O-N 3.02Å; L431-L434 PolarHBondContact O-N 3.02Å; L431-R435 WeakPolarHBondContact O-CB 3.48Å; L431-R435 PolarHBondContact O-N 2.92Å
432	N	48.7	Very low	46.8	Very low	44 Å²	44	95 Å²	95	24%	0.235	48%	0.475	C	S	.	.	H	α-helix	trans	-70	-39	174.6	-74.3	-9	0	0	0	111.6	R428 A429 L434 R435 G436 V461	R428-N432 VanDerWaalsContact O-CB 3.3Å; R428-N432 WeakPolarHBondContact O-CB 3.35Å; R428-N432 VanDerWaalsContact O-CG 3.24Å; R428-N432 PolarHBondContact O-N 3.04Å; A429-N432 PolarHBondContact O-N 2.73Å; N432-L434 VanDerWaalsContact C-N 3.33Å; N432-L434 PolarHBondContact O-N 3.32Å; N432-R435 PolarHBondContact O-N 2.87Å; N432-G436 PolarHBondContact O-N 3.4Å; N432-V461 HydrophobicContact CB-CG2 4.19Å
433	G	46.5	Very low	46.9	Very low	28 Å²	28	95.1 Å²	95.1	29%	0.289	48%	0.478	S	S	.	.	H	α-helix	trans	-64.1	-35.1	171.4	0	0	0	0	0	113	A429 V430 R437	A429-G433 PolarHBondContact O-N 2.98Å; V430-G433 PolarHBondContact O-N 2.85Å; G433-R437 WeakPolarHBondContact O-CB 3.45Å; G433-R437 WeakPolarHBondContact O-CG 3.34Å; G433-R437 PolarHBondContact O-N 3.45Å
434	L	48	Very low	46.6	Very low	92 Å²	92	92.9 Å²	92.9	48%	0.482	47%	0.466	S	S	.	.	H	α-helix	trans	-73.2	-40.5	173.3	-73.9	169.7	0	0	0	112.2	V430 L431 N432 G436 R437 A438	V430-L434 HydrophobicContact CG1-CD1 3.86Å; V430-L434 HydrophobicContact CG1-CG 4.39Å; V430-L434 WeakPolarHBondContact O-CB 3.33Å; V430-L434 VanDerWaalsContact O-CG 3.27Å; V430-L434 WeakPolarHBondContact O-CG 3.49Å; V430-L434 PolarHBondContact O-N 2.86Å; L431-L434 PolarHBondContact O-N 3.02Å; N432-L434 VanDerWaalsContact C-N 3.33Å; N432-L434 PolarHBondContact O-N 3.32Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-R437 PolarHBondContact O-N 2.68Å; L434-A438 WeakPolarHBondContact O-CB 3.32Å; L434-A438 PolarHBondContact O-N 2.71Å
435	R	51.8	Low	46.2	Very low	159 Å²	159	94.8 Å²	94.8	60%	0.6	49%	0.485	S	S	*	.	H	α-helix	trans	-61.8	-41.6	170.9	-87.5	-179.3	163.2	172.8	-5.5	111.6	L431 N432 A438 R439	L431-R435 WeakPolarHBondContact O-CB 3.48Å; L431-R435 PolarHBondContact O-N 2.92Å; N432-R435 PolarHBondContact O-N 2.87Å; R435-A438 PolarHBondContact O-N 2.91Å; R435-R439 WeakPolarHBondContact O-CB 3.33Å; R435-R439 PolarHBondContact O-N 2.65Å
436	G	47.8	Very low	45.7	Very low	9 Å²	9	94.5 Å²	94.5	9%	0.093	50%	0.495	C	S	.	.	H	α-helix	trans	-60.3	-51.7	172.5	0	0	0	0	0	111.9	F317 N432 L434 A438 R439 A440	F317-G436 WeakPolarHBondContact CE1-O 3.16Å; N432-G436 PolarHBondContact O-N 3.4Å; L434-G436 VanDerWaalsContact C-N 3.34Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.22Å; G436-R439 PolarHBondContact O-N 3.36Å; G436-A440 WeakPolarHBondContact O-CB 3.47Å; G436-A440 PolarHBondContact O-N 3.26Å
437	R	44.1	Very low	45.6	Very low	189 Å²	189	93.1 Å²	93.1	71%	0.713	50%	0.501	S	S	*	.	H	α-helix	trans	-64.9	-31.4	176.8	-73.8	170	179.8	173.6	1.3	113.9	G433 L434 A440 A441	G433-R437 WeakPolarHBondContact O-CB 3.45Å; G433-R437 WeakPolarHBondContact O-CG 3.34Å; G433-R437 PolarHBondContact O-N 3.45Å; L434-R437 PolarHBondContact O-N 2.68Å; R437-A440 WeakPolarHBondContact O-CB 2.84Å; R437-A440 PolarHBondContact O-N 2.91Å; R437-A441 WeakPolarHBondContact O-CB 2.97Å; R437-A441 PolarHBondContact O-N 3.31Å
438	A	43.6	Very low	44.8	Very low	54 Å²	54	94.3 Å²	94.3	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-72.7	-44.2	174.7	0	0	0	0	0	111.3	L434 R435 G436 A440 A441 L442	L434-A438 WeakPolarHBondContact O-CB 3.32Å; L434-A438 PolarHBondContact O-N 2.71Å; R435-A438 PolarHBondContact O-N 2.91Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.22Å; A438-A440 VanDerWaalsContact C-N 3.29Å; A438-A440 PolarHBondContact O-N 2.82Å; A438-A441 PolarHBondContact O-N 3.08Å; A438-L442 WeakPolarHBondContact O-CB 3.1Å; A438-L442 PolarHBondContact O-N 2.95Å
439	R	47.4	Very low	44.6	Very low	145 Å²	145	92.8 Å²	92.8	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-41.3	168.6	-82.3	-176.1	165.6	-172.5	-5.9	110.9	E319 R435 G436 L442 L443	E319-R439 IonicContact OE1-NH1 2.68Å; E319-R439 PolarHBondContact OE1-NH1 3.01Å; R435-R439 WeakPolarHBondContact O-CB 3.33Å; R435-R439 PolarHBondContact O-N 2.65Å; G436-R439 PolarHBondContact O-N 3.36Å; R439-L442 PolarHBondContact O-N 2.77Å; R439-L443 WeakPolarHBondContact O-CB 3.38Å; R439-L443 VanDerWaalsContact O-CG 3.28Å; R439-L443 WeakPolarHBondContact O-CG 3.32Å; R439-L443 PolarHBondContact O-N 2.8Å
440	A	42.4	Very low	44.5	Very low	23 Å²	23	96.5 Å²	96.5	19%	0.19	53%	0.529	C	S	.	.	H	α-helix	trans	-57.8	-53.4	174.5	0	0	0	0	0	111.1	F317 G436 R437 A438 L442 L443 M444	F317-A440 HydrophobicContact CE1-CB 3.83Å; F317-A440 HydrophobicContact CZ-CB 3.53Å; G436-A440 WeakPolarHBondContact O-CB 3.47Å; G436-A440 PolarHBondContact O-N 3.26Å; R437-A440 WeakPolarHBondContact O-CB 2.84Å; R437-A440 PolarHBondContact O-N 2.91Å; A438-A440 VanDerWaalsContact C-N 3.29Å; A438-A440 PolarHBondContact O-N 2.82Å; A440-L442 VanDerWaalsContact C-N 3.25Å; A440-L442 PolarHBondContact O-N 2.83Å; A440-L443 PolarHBondContact O-N 3.12Å; A440-M444 WeakPolarHBondContact O-CB 3.45Å; A440-M444 WeakPolarHBondContact O-CG 3.43Å; A440-M444 PolarHBondContact O-N 3.22Å
441	A	40.1	Very low	44.2	Very low	75 Å²	75	95.5 Å²	95.5	62%	0.62	52%	0.521	S	S	*	.	H	α-helix	trans	-66	-23.2	179.8	0	0	0	0	0	114.1	R437 A438	R437-A441 WeakPolarHBondContact O-CB 2.97Å; R437-A441 PolarHBondContact O-N 3.31Å; A438-A441 PolarHBondContact O-N 3.08Å
442	L	46.7	Very low	43.5	Very low	150 Å²	150	100.3 Å²	100.3	79%	0.785	53%	0.532	S	S	*	.	H	α-helix	trans	-81.3	-33.1	173.3	-98	155.4	0	0	0	113.4	A438 R439 A440	A438-L442 WeakPolarHBondContact O-CB 3.1Å; A438-L442 PolarHBondContact O-N 2.95Å; R439-L442 PolarHBondContact O-N 2.77Å; A440-L442 VanDerWaalsContact C-N 3.25Å; A440-L442 PolarHBondContact O-N 2.83Å
443	L	46.9	Very low	43	Very low	103 Å²	103	103.8 Å²	103.8	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-82.7	-34.3	176.2	-68.4	168.6	0	0	0	112	R439 A440 G445	R439-L443 WeakPolarHBondContact O-CB 3.38Å; R439-L443 VanDerWaalsContact O-CG 3.28Å; R439-L443 WeakPolarHBondContact O-CG 3.32Å; R439-L443 PolarHBondContact O-N 2.8Å; A440-L443 PolarHBondContact O-N 3.12Å; L443-G445 PolarHBondContact O-N 2.79Å; L443-G445 VanDerWaalsContact O-N 3.13Å
444	M	41.6	Very low	42.8	Very low	59 Å²	59	103.6 Å²	103.6	29%	0.291	55%	0.548	S	S	.	.	S	Bend	trans	-85	75.6	179	-63.5	-68.7	-69	0	0	110.5	A440 N446 D448 L451	A440-M444 WeakPolarHBondContact O-CB 3.45Å; A440-M444 WeakPolarHBondContact O-CG 3.43Å; A440-M444 PolarHBondContact O-N 3.22Å; M444-N446 PolarHBondContact O-N 2.9Å; M444-D448 HydrophobicContact CE-CB 3.74Å; M444-D448 WeakPolarHBondContact CE-O 3.42Å; M444-L451 HydrophobicContact CE-CB 4Å; M444-L451 HydrophobicContact CE-CD1 4.23Å; M444-L451 HydrophobicContact SD-CD1 4.27Å
445	G	43.5	Very low	42.4	Very low	69 Å²	69	102.4 Å²	102.4	71%	0.711	55%	0.545	S	S	*	.			trans	-56	119.5	166.1	0	0	0	0	0	110.4	L443 N447	L443-G445 PolarHBondContact O-N 2.79Å; L443-G445 VanDerWaalsContact O-N 3.13Å; G445-N447 PolarHBondContact O-N 3.24Å
446	N	35.4	Very low	42.2	Very low	148 Å²	148	95 Å²	95	79%	0.791	52%	0.518	S	S	*	.	S	Bend	trans	1.2	103.7	176.8	-59.3	-22.5	0	0	0	117.3	M444	M444-N446 PolarHBondContact O-N 2.9Å
447	N	41.2	Very low	42.4	Very low	154 Å²	154	97.7 Å²	97.7	82%	0.824	53%	0.526	S	S	*	.				150.9	-16.2	128.8	-72	-25	0	0	0	115	G445 D449	G445-N447 PolarHBondContact O-N 3.24Å; N447-D449 PolarHBondContact O-N 2.83Å
448	D	40.2	Very low	42.7	Very low	111 Å²	111	94.8 Å²	94.8	59%	0.594	53%	0.525	S	S	*	.			trans	-83.4	91.8	-178	-81.8	-29.7	0	0	0	113.4	M444 T450	M444-D448 HydrophobicContact CE-CB 3.74Å; M444-D448 WeakPolarHBondContact CE-O 3.42Å; D448-T450 PolarHBondContact O-N 2.91Å
449	D	42.5	Very low	43.3	Very low	108 Å²	108	94.5 Å²	94.5	58%	0.578	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-68.1	-13.1	172.8	-100.3	-39.9	0	0	0	114	N447 L451 R452	N447-D449 PolarHBondContact O-N 2.83Å; D449-L451 PolarHBondContact O-N 2.98Å; D449-R452 VanDerWaalsContact O-CB 3.25Å; D449-R452 WeakPolarHBondContact O-CB 3.2Å; D449-R452 PolarHBondContact O-N 2.86Å; D449-R452 WeakPolarHBondContact OD1-CD 3.48Å; D449-R452 IonicContact OD1-CZ 2.71Å; D449-R452 IonicContact OD1-NE 2.74Å; D449-R452 IonicContact OD1-NH1 3.21Å; D449-R452 PolarHBondContact OD1-NH1 2.82Å; D449-R452 IonicContact OD2-NH1 3.68Å
450	T	42	Very low	44	Very low	122 Å²	122	92.1 Å²	92.1	75%	0.748	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-70.9	-25.5	-172.6	46.9	0	0	0	0	114.7	D448	D448-T450 PolarHBondContact O-N 2.91Å
451	L	38.7	Very low	45.3	Very low	71 Å²	71	94 Å²	94	37%	0.372	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-96.9	5.4	177.5	-67	173.1	0	0	0	113.2	W314 M444 D449 T453	W314-L451 HydrophobicContact CZ3-CD1 4.33Å; M444-L451 HydrophobicContact CE-CB 4Å; M444-L451 HydrophobicContact CE-CD1 4.23Å; M444-L451 HydrophobicContact SD-CD1 4.27Å; D449-L451 PolarHBondContact O-N 2.98Å; L451-T453 PolarHBondContact O-N 2.85Å; L451-T453 VanDerWaalsContact O-N 3.08Å
452	R	34.3	Very low	47.3	Very low	194 Å²	194	91.2 Å²	91.2	73%	0.732	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.1	-168	-152.7	163.6	-172.6	175.2	5.2	114.8	D449	D449-R452 VanDerWaalsContact O-CB 3.25Å; D449-R452 WeakPolarHBondContact O-CB 3.2Å; D449-R452 PolarHBondContact O-N 2.86Å; D449-R452 WeakPolarHBondContact OD1-CD 3.48Å; D449-R452 IonicContact OD1-CZ 2.71Å; D449-R452 IonicContact OD1-NE 2.74Å; D449-R452 IonicContact OD1-NH1 3.21Å; D449-R452 PolarHBondContact OD1-NH1 2.82Å; D449-R452 IonicContact OD2-NH1 3.68Å
453	T	39.2	Very low	49.1	Very low	116 Å²	116	90 Å²	90	71%	0.712	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	78.8	170.1	55.2	0	0	0	0	110.6	L451 P455	L451-T453 PolarHBondContact O-N 2.85Å; L451-T453 VanDerWaalsContact O-N 3.08Å; T453-P455 WeakPolarHBondContact O-CD 3.39Å
454	D	42.2	Very low	51.1	Low	25 Å²	25	88.2 Å²	88.2	13%	0.134	47%	0.468	C	S	.	.			trans	-64.4	111.4	170.6	-178.5	-3.5	0	0	0	110.4	P356 S456 Y457	P356-D454 WeakPolarHBondContact CG-OD1 3.4Å; D454-S456 VanDerWaalsContact CG-OG 3.26Å; D454-S456 PolarHBondContact O-N 3.33Å; D454-S456 WeakPolarHBondContact OD1-CA 3.37Å; D454-S456 VanDerWaalsContact OD1-CB 3.25Å; D454-S456 WeakPolarHBondContact OD1-CB 3.34Å; D454-S456 PolarHBondContact OD1-N 2.89Å; D454-S456 PolarHBondContact OD1-OG 2.8Å; D454-S456 PolarHBondContact OD2-OG 2.82Å; D454-S456 VanDerWaalsContact OD2-OG 3.13Å; D454-Y457 PolarHBondContact O-N 3.42Å
455	P	38	Very low	53.5	Low	66 Å²	66	85.9 Å²	85.9	43%	0.429	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-68.2	-22.1	179.6	-16	31.6	0	0	0	113.1	N357 T453 Y457 N458	N357-P455 WeakPolarHBondContact ND2-CD 3.29Å; T453-P455 WeakPolarHBondContact O-CD 3.39Å; P455-Y457 PolarHBondContact O-N 2.9Å; P455-N458 WeakPolarHBondContact CA-ND2 2.94Å; P455-N458 WeakPolarHBondContact O-CB 3.19Å; P455-N458 PolarHBondContact O-N 2.83Å; P455-N458 PolarHBondContact O-ND2 3.46Å
456	S	48.7	Very low	56	Low	5 Å²	5	82.6 Å²	82.6	4%	0.035	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-78.1	-8	-179	84.1	0	0	0	0	113.3	R344 D454 F459	R344-S456 PolarHBondContact NH2-O 3.31Å; R344-S456 VanDerWaalsContact NH2-O 3.13Å; D454-S456 VanDerWaalsContact CG-OG 3.26Å; D454-S456 PolarHBondContact O-N 3.33Å; D454-S456 WeakPolarHBondContact OD1-CA 3.37Å; D454-S456 VanDerWaalsContact OD1-CB 3.25Å; D454-S456 WeakPolarHBondContact OD1-CB 3.34Å; D454-S456 PolarHBondContact OD1-N 2.89Å; D454-S456 PolarHBondContact OD1-OG 2.8Å; D454-S456 PolarHBondContact OD2-OG 2.82Å; D454-S456 VanDerWaalsContact OD2-OG 3.13Å; S456-F459 VanDerWaalsContact O-CD2 3.3Å; S456-F459 WeakPolarHBondContact O-CD2 3.22Å
457	Y	52.3	Low	58.8	Low	65 Å²	65	75.8 Å²	75.8	26%	0.255	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-101	18.1	171.2	-158.9	-106.6	0	0	0	113.1	F317 D454 P455 F459	F317-Y457 HydrophobicContact CB-CD2 3.56Å; F317-Y457 HydrophobicContact CB-CE2 3.33Å; F317-Y457 HydrophobicContact CB-CG 4.3Å; F317-Y457 HydrophobicContact CD2-CD1 4.26Å; F317-Y457 HydrophobicContact CD2-CD2 4.02Å; F317-Y457 HydrophobicContact CD2-CE2 4.43Å; F317-Y457 AromaticContact CD2-CG 3.93Å; F317-Y457 HydrophobicContact CD2-CG 3.93Å; F317-Y457 HydrophobicContact CG-CD2 4.16Å; F317-Y457 HydrophobicContact CG-CE2 4.13Å; F317-Y457 HydrophobicContact CG-CG 4.42Å; D454-Y457 PolarHBondContact O-N 3.42Å; P455-Y457 PolarHBondContact O-N 2.9Å; Y457-F459 PolarHBondContact O-N 2.85Å
458	N	49.1	Very low	61.3	Low	128 Å²	128	68.6 Å²	68.6	68%	0.684	35%	0.349	S	S	*	.			trans	-75.7	38.5	167.2	-74.7	-53.4	0	0	0	112.9	P455	P455-N458 WeakPolarHBondContact CA-ND2 2.94Å; P455-N458 WeakPolarHBondContact O-CB 3.19Å; P455-N458 PolarHBondContact O-N 2.83Å; P455-N458 PolarHBondContact O-ND2 3.46Å
459	F	57	Low	64	Low	48 Å²	48	63.4 Å²	63.4	21%	0.211	32%	0.321	C	S	.	.	S	Bend	trans	-121	136.5	178.1	-67	-93.7	0	0	0	109.5	I342 T363 S456 Y457	I342-F459 HydrophobicContact CD1-CD1 3.89Å; I342-F459 HydrophobicContact CD1-CD2 4.2Å; I342-F459 HydrophobicContact CD1-CE1 3.8Å; I342-F459 HydrophobicContact CD1-CE2 4.13Å; I342-F459 HydrophobicContact CD1-CG 4.1Å; I342-F459 HydrophobicContact CD1-CZ 3.93Å; I342-F459 HydrophobicContact CG2-CE1 4.38Å; T363-F459 HydrophobicContact CG2-CE1 4.31Å; T363-F459 HydrophobicContact CG2-CZ 4.03Å; S456-F459 VanDerWaalsContact O-CD2 3.3Å; S456-F459 WeakPolarHBondContact O-CD2 3.22Å; Y457-F459 PolarHBondContact O-N 2.85Å
460	E	61.3	Low	66.6	Low	94 Å²	94	59.6 Å²	59.6	44%	0.439	30%	0.302	S	S	.	.			trans	-70.1	135	171.4	-54.5	-170.2	127.9	0	0	109.4	G371 D372 T462	G371-E460 WeakPolarHBondContact CA-OE2 3.39Å; D372-E460 PolarHBondContact N-OE2 2.96Å; E460-T462 PolarHBondContact O-N 3.21Å; E460-T462 VanDerWaalsContact O-N 3.14Å
461	V	70.7	Confident	69.2	Low	64 Å²	64	54.5 Å²	54.5	39%	0.388	27%	0.269	S	S	.	.			trans	-62.2	111.8	176.1	-179.7	0	0	0	0	109.3	N432	N432-V461 HydrophobicContact CB-CG2 4.19Å
462	T	82.1	Confident	71.9	Confident	16 Å²	16	51.3 Å²	51.3	10%	0.098	25%	0.253	C	S	.	.			trans	-89.3	154.5	-175.5	46.3	0	0	0	0	112.4	S339 S341 L369 E460 Y464	S339-T462 WeakPolarHBondContact CA-O 3.42Å; S339-T462 VanDerWaalsContact CB-O 3.25Å; S339-T462 WeakPolarHBondContact CB-O 3.32Å; S339-T462 PolarHBondContact O-N 3.45Å; S339-T462 PolarHBondContact O-OG1 3.01Å; S339-T462 VanDerWaalsContact O-OG1 3.11Å; S339-T462 PolarHBondContact OG-O 2.79Å; S341-T462 WeakPolarHBondContact CB-OG1 3.32Å; S341-T462 PolarHBondContact N-OG1 2.96Å; S341-T462 VanDerWaalsContact N-OG1 3.09Å; L369-T462 WeakPolarHBondContact O-CG2 3.32Å; E460-T462 PolarHBondContact O-N 3.21Å; E460-T462 VanDerWaalsContact O-N 3.14Å; T462-Y464 VanDerWaalsContact C-N 3.26Å; T462-Y464 PolarHBondContact OG1-O 2.94Å
463	K	84.6	Confident	74.6	Confident	124 Å²	124	44.1 Å²	44.1	54%	0.539	24%	0.235	S	C	.	.	S	Bend	trans	-60.5	-42.8	167.3	-170.9	-158.5	171.2	-156.1	0	110.2	D484	K463-D484 WeakPolarHBondContact CE-OD2 3.46Å; K463-D484 IonicContact NZ-OD2 2.68Å; K463-D484 PolarHBondContact NZ-OD2 2.9Å
464	Y	89.3	Confident	77	Confident	66 Å²	66	43.7 Å²	43.7	26%	0.259	23%	0.225	S	C	.	.			trans	-77.1	141.4	-179.5	-45.8	-68.2	0	0	0	111.6	L369 T462 D484 E485	L369-Y464 HydrophobicContact CB-CD2 3.9Å; L369-Y464 HydrophobicContact CB-CE2 4.48Å; L369-Y464 HydrophobicContact CB-CG 4.45Å; L369-Y464 HydrophobicContact CD2-CD2 3.78Å; L369-Y464 HydrophobicContact CD2-CE1 4.5Å; L369-Y464 HydrophobicContact CD2-CE2 3.66Å; L369-Y464 HydrophobicContact CD2-CG 4.26Å; L369-Y464 HydrophobicContact CG-CD2 4.35Å; T462-Y464 VanDerWaalsContact C-N 3.26Å; T462-Y464 PolarHBondContact OG1-O 2.94Å; Y464-D484 HydrophobicContact CD1-CB 4.47Å; Y464-D484 HydrophobicContact CE1-CB 4.39Å; Y464-E485 HydrophobicContact CD1-CB 4.33Å; Y464-E485 HydrophobicContact CD1-CG 4.02Å; Y464-E485 HydrophobicContact CE1-CG 3.85Å
465	S	91.8	Very high	79.5	Confident	9 Å²	9	42.5 Å²	42.5	6%	0.063	22%	0.219	C	C	.	.			trans	-125.3	145.2	175.7	-49	0	0	0	0	108	G337 S339 Y482 N483	G337-S465 WeakPolarHBondContact O-CA 3.43Å; G337-S465 WeakPolarHBondContact O-CB 3.3Å; S339-S465 PolarHBondContact N-OG 3.32Å; S465-Y482 WeakPolarHBondContact O-CA 3.24Å; S465-N483 WeakPolarHBondContact CA-OD1 3.23Å; S465-N483 VanDerWaalsContact CB-OD1 3.27Å; S465-N483 WeakPolarHBondContact CB-OD1 3.35Å; S465-N483 PolarHBondContact N-OD1 3.26Å; S465-N483 PolarHBondContact O-N 2.94Å; S465-N483 PolarHBondContact O-OD1 2.87Å; S465-N483 PolarHBondContact OG-OD1 3.26Å
466	V	94.5	Very high	82.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.8	171.9	-174.5	0	0	0	0	108.3	C336 G337 V343 A468 L480 S481 Y482	C336-V466 HydrophobicContact CB-CB 3.78Å; C336-V466 HydrophobicContact CB-CG1 3.91Å; C336-V466 WeakPolarHBondContact SG-CG1 3.4Å; C336-V466 PolarHBondContact SG-O 3.38Å; C336-V466 VanDerWaalsContact SG-O 3.33Å; G337-V466 WeakPolarHBondContact CA-O 3.36Å; G337-V466 PolarHBondContact O-N 2.8Å; V343-V466 HydrophobicContact CG2-CB 4.38Å; V343-V466 HydrophobicContact CG2-CG1 3.89Å; V343-V466 HydrophobicContact CG2-CG2 4.23Å; V466-A468 WeakPolarHBondContact CG1-O 3.4Å; V466-L480 HydrophobicContact CG1-CB 4.23Å; V466-L480 HydrophobicContact CG1-CD2 4.45Å; V466-S481 CarbonylContact C-O 3.55Å; V466-S481 WeakPolarHBondContact CA-O 3.47Å; V466-S481 WeakPolarHBondContact CG1-O 3.35Å; V466-Y482 HydrophobicContact CG2-CD1 4Å; V466-Y482 HydrophobicContact CG2-CE1 3.53Å; V466-Y482 HydrophobicContact CG2-CE2 4.44Å
467	T	94.1	Very high	84.3	Confident	6 Å²	6	42.3 Å²	42.3	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-40.2	-175.1	46.3	0	0	0	0	112	S481 N483 N508 I512 V513	T467-S481 PolarHBondContact N-O 2.98Å; T467-S481 WeakPolarHBondContact OG1-CB 3.3Å; T467-S481 PolarHBondContact OG1-O 2.88Å; T467-S481 VanDerWaalsContact OG1-O 3.14Å; T467-S481 PolarHBondContact OG1-OG 2.98Å; T467-N483 HydrophobicContact CG2-CB 4.02Å; T467-N508 PolarHBondContact OG1-ND2 3.37Å; T467-I512 HydrophobicContact CG2-CG2 4.1Å; T467-V513 PolarHBondContact OG1-O 3.43Å
468	A	95.2	Very high	86.5	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.3	172.6	0	0	0	0	0	112.3	V466 S481	V466-A468 WeakPolarHBondContact CG1-O 3.4Å; A468-S481 WeakPolarHBondContact CB-OG 3.5Å; A468-S481 PolarHBondContact N-OG 2.74Å; A468-S481 PolarHBondContact O-N 2.71Å
469	A	96.8	Very high	88.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.4	170.3	0	0	0	0	0	108.9	S322 A324 V343 I478 L479 L480	S322-A469 PolarHBondContact OG-N 3.41Å; A324-A469 VanDerWaalsContact CB-O 3.32Å; A324-A469 WeakPolarHBondContact CB-O 3.28Å; V343-A469 HydrophobicContact CG1-CB 4.16Å; V343-A469 HydrophobicContact CG2-CB 4.13Å; A469-I478 HydrophobicContact CB-CD1 4.26Å; A469-L479 WeakPolarHBondContact CA-O 3.5Å; A469-L480 HydrophobicContact CB-CD2 3.85Å
470	V	97	Very high	90.7	Very high	29 Å²	29	30.9 Å²	30.9	18%	0.176	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.5	-176.1	-178.6	0	0	0	0	110.2	I478 L479 A515 F517	V470-I478 WeakPolarHBondContact O-CA 3.43Å; V470-L479 PolarHBondContact N-O 3.36Å; V470-L479 PolarHBondContact O-N 2.74Å; V470-A515 VanDerWaalsContact CG2-O 3.32Å; V470-A515 WeakPolarHBondContact CG2-O 3.33Å; V470-F517 HydrophobicContact CG1-CD2 4.2Å
471	Y	97	Very high	92.3	Very high	14 Å²	14	26.5 Å²	26.5	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	151.3	175.5	-73.8	-83.3	0	0	0	112	A324 S325 N326 A334 I345 A477 I478 V492 F517	A324-Y471 HydrophobicContact CB-CD2 4.19Å; A324-Y471 HydrophobicContact CB-CE2 4.42Å; S325-Y471 WeakPolarHBondContact O-CD2 3.32Å; N326-Y471 HydrophobicContact CB-CD1 4.34Å; N326-Y471 HydrophobicContact CB-CD2 4.27Å; N326-Y471 HydrophobicContact CB-CE1 4.12Å; N326-Y471 HydrophobicContact CB-CE2 4.05Å; N326-Y471 HydrophobicContact CB-CG 4.41Å; A334-Y471 HydrophobicContact CB-CE2 3.83Å; I345-Y471 WeakPolarHBondContact CG2-OH 3.41Å; Y471-A477 CarbonylContact C-O 3.14Å; Y471-A477 WeakPolarHBondContact CA-O 3.13Å; Y471-I478 HydrophobicContact CD1-CB 4.24Å; Y471-I478 HydrophobicContact CD1-CD1 4.44Å; Y471-I478 HydrophobicContact CD1-CG1 4.37Å; Y471-I478 HydrophobicContact CE1-CB 4.39Å; Y471-I478 HydrophobicContact CE1-CD1 4.1Å; Y471-I478 HydrophobicContact CE1-CG1 4.48Å; Y471-I478 HydrophobicContact CE2-CD1 4.29Å; Y471-V492 HydrophobicContact CD1-CG2 3.94Å; Y471-V492 HydrophobicContact CE1-CG1 4.21Å; Y471-V492 HydrophobicContact CE1-CG2 3.71Å; Y471-F517 WeakPolarHBondContact O-CD2 3.43Å
472	S	95.3	Very high	93.4	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.028	12%	0.12	C	C	.	.			trans	-61.3	159.1	164.6	62.1	0	0	0	0	110.8	P327 Q474 G475 D476 A477	P327-S472 WeakPolarHBondContact CG-O 3.28Å; S472-Q474 PolarHBondContact O-N 3.12Å; S472-Q474 VanDerWaalsContact O-N 3.07Å; S472-G475 PolarHBondContact O-N 3.26Å; S472-G475 PolarHBondContact OG-N 2.87Å; S472-D476 WeakPolarHBondContact CB-OD1 3.41Å; S472-D476 PolarHBondContact OG-N 2.84Å; S472-D476 PolarHBondContact OG-OD1 2.96Å; S472-A477 PolarHBondContact N-O 2.84Å; S472-A477 PolarHBondContact OG-N 2.98Å; S472-A477 VanDerWaalsContact OG-N 3.16Å; S472-A477 PolarHBondContact OG-O 3.37Å
473	A	91	Very high	93.9	Very high	44 Å²	44	23.5 Å²	23.5	36%	0.364	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.7	176.7	0	0	0	0	0	113.3	P520 S522	A473-P520 WeakPolarHBondContact CB-O 3.35Å; A473-S522 PolarHBondContact N-OG 2.9Å
474	Q	89.8	Confident	94.1	Very high	107 Å²	107	20.2 Å²	20.2	50%	0.5	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6.8	178.6	-59.7	-62.4	-35.3	0	0	113.6	T328 S472 D476	T328-Q474 WeakPolarHBondContact CG2-O 3.42Å; T328-Q474 PolarHBondContact OG1-O 2.56Å; S472-Q474 PolarHBondContact O-N 3.12Å; S472-Q474 VanDerWaalsContact O-N 3.07Å; Q474-D476 PolarHBondContact O-N 2.77Å
475	G	93.6	Very high	94.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	68.5	12.1	-177.8	0	0	0	0	0	114.9	N326 S472	N326-G475 PolarHBondContact ND2-O 2.83Å; N326-G475 VanDerWaalsContact OD1-CA 3.24Å; N326-G475 WeakPolarHBondContact OD1-CA 3.16Å; S472-G475 PolarHBondContact O-N 3.26Å; S472-G475 PolarHBondContact OG-N 2.87Å
476	D	93.7	Very high	94.2	Very high	64 Å²	64	20.1 Å²	20.1	34%	0.342	11%	0.11	S	C	.	.	S	Bend	trans	-90	-22.8	-176.5	71.6	-31.9	0	0	0	113.4	S472 Q474 V492 N493	S472-D476 WeakPolarHBondContact CB-OD1 3.41Å; S472-D476 PolarHBondContact OG-N 2.84Å; S472-D476 PolarHBondContact OG-OD1 2.96Å; Q474-D476 PolarHBondContact O-N 2.77Å; D476-V492 WeakPolarHBondContact O-CB 3.3Å; D476-V492 PolarHBondContact O-N 3.17Å; D476-N493 PolarHBondContact O-ND2 3.34Å; D476-N493 VanDerWaalsContact O-ND2 3.15Å
477	A	95.2	Very high	94.3	Very high	2 Å²	2	20.1 Å²	20.1	2%	0.017	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.1	-177.9	0	0	0	0	0	111.2	Y471 S472 L489 F490	Y471-A477 CarbonylContact C-O 3.14Å; Y471-A477 WeakPolarHBondContact CA-O 3.13Å; S472-A477 PolarHBondContact N-O 2.84Å; S472-A477 PolarHBondContact OG-N 2.98Å; S472-A477 VanDerWaalsContact OG-N 3.16Å; S472-A477 PolarHBondContact OG-O 3.37Å; A477-L489 HydrophobicContact CB-CD1 3.78Å; A477-F490 CarbonylContact C-O 3.55Å; A477-F490 WeakPolarHBondContact CA-O 3.31Å; A477-F490 WeakPolarHBondContact CB-O 3.3Å
478	I	97.3	Very high	94.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.8	179.5	-165.6	174	0	0	0	111.2	A334 V343 I345 I364 A469 V470 Y471 L480 L489 F490 V492	A334-I478 HydrophobicContact CB-CD1 3.71Å; V343-I478 HydrophobicContact CG1-CD1 4.21Å; I345-I478 HydrophobicContact CD1-CD1 4.41Å; I364-I478 HydrophobicContact CD1-CG2 4.01Å; I364-I478 HydrophobicContact CG2-CG2 4.37Å; A469-I478 HydrophobicContact CB-CD1 4.26Å; V470-I478 WeakPolarHBondContact O-CA 3.43Å; Y471-I478 HydrophobicContact CD1-CB 4.24Å; Y471-I478 HydrophobicContact CD1-CD1 4.44Å; Y471-I478 HydrophobicContact CD1-CG1 4.37Å; Y471-I478 HydrophobicContact CE1-CB 4.39Å; Y471-I478 HydrophobicContact CE1-CD1 4.1Å; Y471-I478 HydrophobicContact CE1-CG1 4.48Å; Y471-I478 HydrophobicContact CE2-CD1 4.29Å; I478-L480 HydrophobicContact CD1-CD2 4.34Å; I478-L480 HydrophobicContact CG1-CD2 4.15Å; I478-L489 WeakPolarHBondContact O-CD1 3.25Å; I478-F490 HydrophobicContact CG2-CB 4.13Å; I478-F490 PolarHBondContact N-O 3.3Å; I478-F490 PolarHBondContact O-N 2.79Å; I478-V492 HydrophobicContact CB-CG2 3.82Å; I478-V492 HydrophobicContact CG2-CG2 3.91Å
479	L	97.4	Very high	94.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.7	179.1	-168.9	75.3	0	0	0	109.7	A469 V470 I487 L489 Y503 A515 F517 V525	A469-L479 WeakPolarHBondContact CA-O 3.5Å; V470-L479 PolarHBondContact N-O 3.36Å; V470-L479 PolarHBondContact O-N 2.74Å; L479-I487 HydrophobicContact CD1-CG2 3.52Å; L479-I487 HydrophobicContact CD2-CG2 4.14Å; L479-I487 HydrophobicContact CG-CG2 3.67Å; L479-L489 HydrophobicContact CB-CD1 4.43Å; L479-L489 HydrophobicContact CD1-CB 4.17Å; L479-L489 HydrophobicContact CD1-CD1 4.35Å; L479-Y503 HydrophobicContact CD1-CD2 4.08Å; L479-Y503 HydrophobicContact CD1-CE2 3.74Å; L479-A515 HydrophobicContact CD2-CB 3.81Å; L479-F517 HydrophobicContact CB-CE1 4.43Å; L479-F517 HydrophobicContact CB-CE2 3.78Å; L479-F517 HydrophobicContact CB-CZ 3.68Å; L479-F517 HydrophobicContact CD1-CE1 4.42Å; L479-F517 HydrophobicContact CD1-CZ 4.36Å; L479-F517 HydrophobicContact CD2-CZ 4.46Å; L479-F517 HydrophobicContact CG-CZ 4.4Å; L479-V525 HydrophobicContact CD1-CG1 4.16Å; L479-V525 HydrophobicContact CD1-CG2 3.96Å; L479-V525 HydrophobicContact CD2-CG1 3.78Å; L479-V525 HydrophobicContact CD2-CG2 4.3Å
480	L	96.9	Very high	94.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.3	-179.5	-53.8	-167.9	0	0	0	110.3	V343 I364 V466 A469 I478 Y482 I487 Y488 F490	V343-L480 HydrophobicContact CB-CD2 4.18Å; V343-L480 HydrophobicContact CG2-CD1 3.77Å; V343-L480 HydrophobicContact CG2-CD2 3.32Å; V343-L480 HydrophobicContact CG2-CG 4.17Å; I364-L480 HydrophobicContact CG2-CD1 4.3Å; V466-L480 HydrophobicContact CG1-CB 4.23Å; V466-L480 HydrophobicContact CG1-CD2 4.45Å; A469-L480 HydrophobicContact CB-CD2 3.85Å; I478-L480 HydrophobicContact CD1-CD2 4.34Å; I478-L480 HydrophobicContact CG1-CD2 4.15Å; L480-Y482 HydrophobicContact CB-CD2 4.33Å; L480-Y482 HydrophobicContact CB-CE2 3.78Å; L480-Y482 HydrophobicContact CD1-CE2 4.2Å; L480-I487 CarbonylContact O-C 3.58Å; L480-I487 WeakPolarHBondContact O-CA 3.13Å; L480-I487 WeakPolarHBondContact O-CG2 3.33Å; L480-Y488 PolarHBondContact N-O 3.45Å; L480-Y488 PolarHBondContact O-N 2.85Å; L480-F490 HydrophobicContact CB-CE2 4.46Å; L480-F490 HydrophobicContact CD1-CD2 3.87Å; L480-F490 HydrophobicContact CD1-CE2 3.56Å; L480-F490 HydrophobicContact CD1-CZ 4.39Å; L480-F490 HydrophobicContact CG-CD2 3.97Å; L480-F490 HydrophobicContact CG-CE2 3.95Å
481	S	95.4	Very high	94.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.8	165.8	60.5	0	0	0	0	110.3	V466 T467 A468	V466-S481 CarbonylContact C-O 3.55Å; V466-S481 WeakPolarHBondContact CA-O 3.47Å; V466-S481 WeakPolarHBondContact CG1-O 3.35Å; T467-S481 PolarHBondContact N-O 2.98Å; T467-S481 WeakPolarHBondContact OG1-CB 3.3Å; T467-S481 PolarHBondContact OG1-O 2.88Å; T467-S481 VanDerWaalsContact OG1-O 3.14Å; T467-S481 PolarHBondContact OG1-OG 2.98Å; A468-S481 WeakPolarHBondContact CB-OG 3.5Å; A468-S481 PolarHBondContact N-OG 2.74Å; A468-S481 PolarHBondContact O-N 2.71Å
482	Y	94.4	Very high	94.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.3	-179.6	-76.3	-97.3	0	0	0	110.5	S341 G365 A366 L369 S465 V466 L480 Y488	S341-Y482 WeakPolarHBondContact O-CE1 3.5Å; S341-Y482 PolarHBondContact O-OH 3.02Å; G365-Y482 VanDerWaalsContact CA-OH 3.24Å; G365-Y482 WeakPolarHBondContact CA-OH 3.34Å; A366-Y482 PolarHBondContact N-OH 3.14Å; L369-Y482 HydrophobicContact CB-CE1 4.47Å; L369-Y482 HydrophobicContact CD1-CD1 3.68Å; L369-Y482 HydrophobicContact CD1-CD2 4.23Å; L369-Y482 HydrophobicContact CD1-CE1 3.74Å; L369-Y482 HydrophobicContact CD1-CE2 4.29Å; L369-Y482 HydrophobicContact CD1-CG 3.92Å; S465-Y482 WeakPolarHBondContact O-CA 3.24Å; V466-Y482 HydrophobicContact CG2-CD1 4Å; V466-Y482 HydrophobicContact CG2-CE1 3.53Å; V466-Y482 HydrophobicContact CG2-CE2 4.44Å; L480-Y482 HydrophobicContact CB-CD2 4.33Å; L480-Y482 HydrophobicContact CB-CE2 3.78Å; L480-Y482 HydrophobicContact CD1-CE2 4.2Å; Y482-Y488 AromaticContact CD2-CD2 3.69Å; Y482-Y488 HydrophobicContact CD2-CD2 3.69Å; Y482-Y488 HydrophobicContact CD2-CE2 4.18Å; Y482-Y488 AromaticContact CE2-CD2 3.78Å; Y482-Y488 HydrophobicContact CE2-CD2 3.78Å; Y482-Y488 HydrophobicContact CE2-CE2 4.48Å
483	N	92.1	Very high	93.9	Very high	18 Å²	18	22.8 Å²	22.8	10%	0.096	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	148.4	166.3	90.1	-80.3	0	0	0	111.1	S465 T467 E485 N508	S465-N483 WeakPolarHBondContact CA-OD1 3.23Å; S465-N483 VanDerWaalsContact CB-OD1 3.27Å; S465-N483 WeakPolarHBondContact CB-OD1 3.35Å; S465-N483 PolarHBondContact N-OD1 3.26Å; S465-N483 PolarHBondContact O-N 2.94Å; S465-N483 PolarHBondContact O-OD1 2.87Å; S465-N483 PolarHBondContact OG-OD1 3.26Å; T467-N483 HydrophobicContact CG2-CB 4.02Å; N483-E485 PolarHBondContact O-N 3.37Å; N483-E485 VanDerWaalsContact O-N 3.1Å; N483-N508 CarbonylContact C-O 3.41Å; N483-N508 WeakPolarHBondContact CA-O 3.25Å
484	D	87.8	Confident	93.9	Very high	54 Å²	54	24.6 Å²	24.6	29%	0.289	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	15.7	-174.1	-60.2	3.2	0	0	0	114.4	K463 Y464 N508	K463-D484 WeakPolarHBondContact CE-OD2 3.46Å; K463-D484 IonicContact NZ-OD2 2.68Å; K463-D484 PolarHBondContact NZ-OD2 2.9Å; Y464-D484 HydrophobicContact CD1-CB 4.47Å; Y464-D484 HydrophobicContact CE1-CB 4.39Å; D484-N508 PolarHBondContact N-O 2.88Å
485	E	90.6	Very high	93.7	Very high	41 Å²	41	21.1 Å²	21.1	19%	0.192	11%	0.111	C	C	.	.	S	Bend	trans	-150.1	-175.2	-169.7	-108.5	-64.4	151.2	0	0	112	L369 Y464 N483 Y488 K502 H506	L369-E485 HydrophobicContact CD1-CB 4.26Å; L369-E485 HydrophobicContact CD1-CG 3.95Å; L369-E485 HydrophobicContact CD2-CG 3.74Å; Y464-E485 HydrophobicContact CD1-CB 4.33Å; Y464-E485 HydrophobicContact CD1-CG 4.02Å; Y464-E485 HydrophobicContact CE1-CG 3.85Å; N483-E485 PolarHBondContact O-N 3.37Å; N483-E485 VanDerWaalsContact O-N 3.1Å; E485-Y488 PolarHBondContact OE2-OH 3.19Å; E485-K502 IonicContact OE2-NZ 2.83Å; E485-H506 PolarHBondContact O-CE1 3.42Å
486	N	93.3	Very high	93.2	Very high	32 Å²	32	26.7 Å²	26.7	17%	0.171	15%	0.15	C	C	.	.			trans	-93.8	173.4	-171.4	-60.1	-92.9	0	0	0	112.2	Y488 K502 S504	N486-Y488 HydrophobicContact CB-CE2 3.93Å; N486-Y488 VanDerWaalsContact O-CD2 3.23Å; N486-Y488 WeakPolarHBondContact O-CD2 3.07Å; N486-Y488 VanDerWaalsContact O-CE2 3.25Å; N486-Y488 WeakPolarHBondContact O-CE2 3.12Å; N486-K502 HydrophobicContact CB-CD 4.43Å; N486-K502 HydrophobicContact CB-CG 4.14Å; N486-K502 WeakPolarHBondContact ND2-CE 3.44Å; N486-K502 PolarHBondContact ND2-NZ 2.84Å; N486-S504 WeakPolarHBondContact OD1-CA 3.49Å; N486-S504 WeakPolarHBondContact OD1-CB 3.14Å; N486-S504 PolarHBondContact OD1-OG 3.38Å
487	I	96.3	Very high	93	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.9	174.9	-55.6	156.2	0	0	0	108.7	L479 L480 K502 Y503 A515 W537	L479-I487 HydrophobicContact CD1-CG2 3.52Å; L479-I487 HydrophobicContact CD2-CG2 4.14Å; L479-I487 HydrophobicContact CG-CG2 3.67Å; L480-I487 CarbonylContact O-C 3.58Å; L480-I487 WeakPolarHBondContact O-CA 3.13Å; L480-I487 WeakPolarHBondContact O-CG2 3.33Å; I487-K502 WeakPolarHBondContact O-CA 3.16Å; I487-Y503 HydrophobicContact CB-CD2 4.26Å; I487-Y503 HydrophobicContact CG2-CD2 4.05Å; I487-Y503 PolarHBondContact N-O 2.87Å; I487-Y503 VanDerWaalsContact N-O 3.14Å; I487-Y503 PolarHBondContact O-N 3.4Å; I487-A515 HydrophobicContact CD1-CB 3.68Å; I487-A515 HydrophobicContact CG1-CB 3.99Å; I487-A515 HydrophobicContact CG2-CB 3.96Å; I487-W537 HydrophobicContact CD1-CH2 3.67Å; I487-W537 HydrophobicContact CD1-CZ2 4.48Å; I487-W537 HydrophobicContact CD1-CZ3 3.87Å
488	Y	96.9	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.2	-177	-62.5	-90.6	0	0	0	111.5	A366 H368 L369 L480 Y482 E485 N486 Y499 H501 K502	A366-Y488 HydrophobicContact CB-CG 4.47Å; H368-Y488 AromaticContact CE1-CE1 3.79Å; H368-Y488 AromaticContact CE1-CZ 3.73Å; H368-Y488 PolarHBondContact CE1-OH 3.14Å; H368-Y488 AromaticContact NE2-CZ 3.86Å; H368-Y488 PolarHBondContact NE2-OH 3.23Å; L369-Y488 HydrophobicContact CD1-CE2 4.05Å; L480-Y488 PolarHBondContact N-O 3.45Å; L480-Y488 PolarHBondContact O-N 2.85Å; Y482-Y488 AromaticContact CD2-CD2 3.69Å; Y482-Y488 HydrophobicContact CD2-CD2 3.69Å; Y482-Y488 HydrophobicContact CD2-CE2 4.18Å; Y482-Y488 AromaticContact CE2-CD2 3.78Å; Y482-Y488 HydrophobicContact CE2-CD2 3.78Å; Y482-Y488 HydrophobicContact CE2-CE2 4.48Å; E485-Y488 PolarHBondContact OE2-OH 3.19Å; N486-Y488 HydrophobicContact CB-CE2 3.93Å; N486-Y488 VanDerWaalsContact O-CD2 3.23Å; N486-Y488 WeakPolarHBondContact O-CD2 3.07Å; N486-Y488 VanDerWaalsContact O-CE2 3.25Å; N486-Y488 WeakPolarHBondContact O-CE2 3.12Å; Y488-Y499 AromaticContact CD1-CD1 3.6Å; Y488-Y499 HydrophobicContact CD1-CD1 3.6Å; Y488-Y499 AromaticContact CD1-CD2 4Å; Y488-Y499 HydrophobicContact CD1-CD2 4Å; Y488-Y499 AromaticContact CD1-CE1 3.86Å; Y488-Y499 HydrophobicContact CD1-CE1 3.86Å; Y488-Y499 HydrophobicContact CD1-CE2 4.23Å; Y488-Y499 AromaticContact CD1-CG 3.68Å; Y488-Y499 HydrophobicContact CD1-CG 3.68Å; Y488-Y499 HydrophobicContact CE1-CD1 4.03Å; Y488-Y499 AromaticContact CE1-CE1 3.8Å; Y488-Y499 HydrophobicContact CE1-CE1 3.8Å; Y488-Y499 HydrophobicContact CE1-CE2 4.4Å; Y488-Y499 HydrophobicContact CE1-CG 4.44Å; Y488-Y499 AromaticContact CE1-CZ 4Å; Y488-H501 WeakPolarHBondContact CA-O 3.24Å; Y488-K502 HydrophobicContact CD1-CB 4.07Å; Y488-K502 HydrophobicContact CD1-CG 4.12Å; Y488-K502 HydrophobicContact CE1-CB 4.04Å; Y488-K502 HydrophobicContact CE1-CD 3.69Å; Y488-K502 HydrophobicContact CE1-CG 3.7Å; Y488-K502 PolarHBondContact OH-NZ 2.88Å
489	L	97	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.7	178.5	179	57.5	0	0	0	111	A477 I478 L479 Y499 L500 H501 Y503 F517 R539	A477-L489 HydrophobicContact CB-CD1 3.78Å; I478-L489 WeakPolarHBondContact O-CD1 3.25Å; L479-L489 HydrophobicContact CB-CD1 4.43Å; L479-L489 HydrophobicContact CD1-CB 4.17Å; L479-L489 HydrophobicContact CD1-CD1 4.35Å; L489-Y499 CarbonylContact O-C 3.59Å; L489-Y499 WeakPolarHBondContact O-CA 3.36Å; L489-Y499 WeakPolarHBondContact O-CB 3.3Å; L489-L500 PolarHBondContact O-N 2.85Å; L489-H501 HydrophobicContact CB-CB 4.14Å; L489-H501 PolarHBondContact N-O 2.84Å; L489-Y503 HydrophobicContact CB-CE2 4.06Å; L489-Y503 WeakPolarHBondContact CD2-OH 3.48Å; L489-F517 HydrophobicContact CD1-CE1 4.36Å; L489-F517 HydrophobicContact CD1-CZ 3.76Å; L489-R539 HydrophobicContact CD2-CG 3.92Å
490	F	96.2	Very high	92.3	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.7	-179.2	-62.5	-100.4	0	0	0	111.8	I364 A366 A477 I478 L480	I364-F490 HydrophobicContact CG2-CB 3.56Å; I364-F490 HydrophobicContact CG2-CD1 3.54Å; I364-F490 HydrophobicContact CG2-CD2 3.73Å; I364-F490 HydrophobicContact CG2-CE1 4.12Å; I364-F490 HydrophobicContact CG2-CE2 4.3Å; I364-F490 HydrophobicContact CG2-CG 3.32Å; I364-F490 HydrophobicContact CG2-CZ 4.47Å; A366-F490 HydrophobicContact CB-CZ 4.15Å; A477-F490 CarbonylContact C-O 3.55Å; A477-F490 WeakPolarHBondContact CA-O 3.31Å; A477-F490 WeakPolarHBondContact CB-O 3.3Å; I478-F490 HydrophobicContact CG2-CB 4.13Å; I478-F490 PolarHBondContact N-O 3.3Å; I478-F490 PolarHBondContact O-N 2.79Å; L480-F490 HydrophobicContact CB-CE2 4.46Å; L480-F490 HydrophobicContact CD1-CD2 3.87Å; L480-F490 HydrophobicContact CD1-CE2 3.56Å; L480-F490 HydrophobicContact CD1-CZ 4.39Å; L480-F490 HydrophobicContact CG-CD2 3.97Å; L480-F490 HydrophobicContact CG-CE2 3.95Å
491	D	94.1	Very high	92.2	Very high	28 Å²	28	40 Å²	40	15%	0.15	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.3	167.1	-175.8	-17	0	0	0	109.5	N493 Q494 L500	D491-N493 PolarHBondContact O-N 3.22Å; D491-N493 WeakPolarHBondContact OD1-CA 3.3Å; D491-N493 VanDerWaalsContact OD1-CB 3.28Å; D491-N493 WeakPolarHBondContact OD1-CB 3.33Å; D491-N493 PolarHBondContact OD1-N 3.48Å; D491-N493 PolarHBondContact OD1-ND2 2.85Å; D491-Q494 HydrophobicContact CB-CB 4.14Å; D491-Q494 CarbonylContact O-C 3.59Å; D491-Q494 PolarHBondContact O-N 2.99Å; D491-Q494 PolarHBondContact OD1-N 2.85Å; D491-Q494 WeakPolarHBondContact OD2-CG 3.44Å; D491-Q494 PolarHBondContact OD2-NE2 2.98Å; D491-L500 HydrophobicContact CB-CD1 4.15Å; D491-L500 HydrophobicContact CB-CD2 4.37Å; D491-L500 HydrophobicContact CB-CG 4.45Å
492	V	92.8	Very high	92.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-29.6	-179.9	174.7	0	0	0	0	111.3	I345 H362 Y471 D476 I478	I345-V492 HydrophobicContact CD1-CG1 4.21Å; H362-V492 PolarHBondContact CD2-O 2.83Å; Y471-V492 HydrophobicContact CD1-CG2 3.94Å; Y471-V492 HydrophobicContact CE1-CG1 4.21Å; Y471-V492 HydrophobicContact CE1-CG2 3.71Å; D476-V492 WeakPolarHBondContact O-CB 3.3Å; D476-V492 PolarHBondContact O-N 3.17Å; I478-V492 HydrophobicContact CB-CG2 3.82Å; I478-V492 HydrophobicContact CG2-CG2 3.91Å
493	N	91.1	Very high	92.3	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12.7	-177.1	-41	-85.7	0	0	0	112.4	R329 D476 D491 P495	R329-N493 PolarHBondContact NH2-OD1 3.4Å; D476-N493 PolarHBondContact O-ND2 3.34Å; D476-N493 VanDerWaalsContact O-ND2 3.15Å; D491-N493 PolarHBondContact O-N 3.22Å; D491-N493 WeakPolarHBondContact OD1-CA 3.3Å; D491-N493 VanDerWaalsContact OD1-CB 3.28Å; D491-N493 WeakPolarHBondContact OD1-CB 3.33Å; D491-N493 PolarHBondContact OD1-N 3.48Å; D491-N493 PolarHBondContact OD1-ND2 2.85Å; N493-P495 VanDerWaalsContact C-CD 3.44Å
494	Q	90.9	Very high	92.3	Very high	83 Å²	83	43.7 Å²	43.7	39%	0.388	24%	0.235	S	C	.	.			trans	-131.1	56.4	-179.5	-61.2	-177.7	86.7	0	0	111.4	D491 S496 K497	D491-Q494 HydrophobicContact CB-CB 4.14Å; D491-Q494 CarbonylContact O-C 3.59Å; D491-Q494 PolarHBondContact O-N 2.99Å; D491-Q494 PolarHBondContact OD1-N 2.85Å; D491-Q494 WeakPolarHBondContact OD2-CG 3.44Å; D491-Q494 PolarHBondContact OD2-NE2 2.98Å; Q494-S496 PolarHBondContact O-N 2.81Å; Q494-K497 HydrophobicContact CB-CD 4.05Å; Q494-K497 HydrophobicContact CB-CG 4.35Å; Q494-K497 WeakPolarHBondContact O-CB 3.18Å; Q494-K497 PolarHBondContact O-N 2.99Å; Q494-K497 VanDerWaalsContact OE1-CE 3.3Å
495	P	85.7	Confident	92.1	Very high	34 Å²	34	42.8 Å²	42.8	22%	0.221	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.8	-169.9	32.8	-41.9	0	0	0	114.9	H362 I364 N493	H362-P495 HydrophobicContact CB-CB 3.94Å; H362-P495 HydrophobicContact CB-CG 4.09Å; I364-P495 HydrophobicContact CD1-CB 4.01Å; I364-P495 HydrophobicContact CG1-CB 3.78Å; N493-P495 VanDerWaalsContact C-CD 3.44Å
496	S	83.1	Confident	92	Very high	117 Å²	117	41.5 Å²	41.5	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.3	174.8	55.2	0	0	0	0	113.7	Q494	Q494-S496 PolarHBondContact O-N 2.81Å
497	K	87.7	Confident	91.8	Very high	60 Å²	60	44.3 Å²	44.3	26%	0.261	24%	0.241	S	C	.	.	S	Bend	trans	-88	156.4	174.1	-73.8	-174.7	172	174.4	0	111.3	Y144 Q494	Y144-K497 VanDerWaalsContact CE1-NZ 3.32Å; Q494-K497 HydrophobicContact CB-CD 4.05Å; Q494-K497 HydrophobicContact CB-CG 4.35Å; Q494-K497 WeakPolarHBondContact O-CB 3.18Å; Q494-K497 PolarHBondContact O-N 2.99Å; Q494-K497 VanDerWaalsContact OE1-CE 3.3Å
498	P	89.9	Confident	91.4	Very high	88 Å²	88	44.4 Å²	44.4	57%	0.571	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-60.1	170.5	165.3	29.4	-37.2	0	0	0	111.2
499	Y	92.8	Very high	90.8	Very high	87 Å²	87	49.6 Å²	49.6	34%	0.341	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-54.7	145	173	57.1	-95.5	0	0	0	111.6	Y488 L489 K502	Y488-Y499 AromaticContact CD1-CD1 3.6Å; Y488-Y499 HydrophobicContact CD1-CD1 3.6Å; Y488-Y499 AromaticContact CD1-CD2 4Å; Y488-Y499 HydrophobicContact CD1-CD2 4Å; Y488-Y499 AromaticContact CD1-CE1 3.86Å; Y488-Y499 HydrophobicContact CD1-CE1 3.86Å; Y488-Y499 HydrophobicContact CD1-CE2 4.23Å; Y488-Y499 AromaticContact CD1-CG 3.68Å; Y488-Y499 HydrophobicContact CD1-CG 3.68Å; Y488-Y499 HydrophobicContact CE1-CD1 4.03Å; Y488-Y499 AromaticContact CE1-CE1 3.8Å; Y488-Y499 HydrophobicContact CE1-CE1 3.8Å; Y488-Y499 HydrophobicContact CE1-CE2 4.4Å; Y488-Y499 HydrophobicContact CE1-CG 4.44Å; Y488-Y499 AromaticContact CE1-CZ 4Å; L489-Y499 CarbonylContact O-C 3.59Å; L489-Y499 WeakPolarHBondContact O-CA 3.36Å; L489-Y499 WeakPolarHBondContact O-CB 3.3Å; Y499-K502 HydrophobicContact CD2-CB 4.34Å; Y499-K502 HydrophobicContact CE2-CB 3.92Å
500	L	93.8	Very high	89.7	Confident	80 Å²	80	57 Å²	57	42%	0.419	30%	0.302	S	S	.	.	S	Bend	trans	-71.7	-43.2	172.7	-59	178.1	0	0	0	111	L489 D491	L489-L500 PolarHBondContact O-N 2.85Å; D491-L500 HydrophobicContact CB-CD1 4.15Å; D491-L500 HydrophobicContact CB-CD2 4.37Å; D491-L500 HydrophobicContact CB-CG 4.45Å
501	H	94.9	Very high	88.9	Confident	33 Å²	33	58.2 Å²	58.2	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.1	-173.7	-71	-66.8	0	0	0	113	Y488 L489 Y503 R539 E540 E542	Y488-H501 WeakPolarHBondContact CA-O 3.24Å; L489-H501 HydrophobicContact CB-CB 4.14Å; L489-H501 PolarHBondContact N-O 2.84Å; H501-Y503 HydrophobicContact CB-CE1 4.23Å; H501-Y503 HydrophobicContact CB-CE2 4.1Å; H501-Y503 WeakPolarHBondContact CB-OH 3.3Å; H501-R539 PolarHBondContact CD2-O 3.03Å; H501-E540 PolarHBondContact CE1-O 3.33Å; H501-E542 WeakPolarHBondContact CA-OE1 3.32Å; H501-E542 HydrophobicContact CB-CG 4.23Å; H501-E542 VanDerWaalsContact CB-OE1 3.28Å; H501-E542 WeakPolarHBondContact CB-OE1 3.36Å; H501-E542 IonicContact CG-OE1 3.95Å; H501-E542 IonicContact ND1-OE1 3.83Å; H501-E542 PolarHBondContact ND1-OE1 3.01Å
502	K	94.9	Very high	88.4	Confident	56 Å²	56	60.5 Å²	60.5	24%	0.243	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.2	174.1	176.1	-179.5	174.8	137.9	0	110.4	E485 N486 I487 Y488 Y499 S504 E542	E485-K502 IonicContact OE2-NZ 2.83Å; N486-K502 HydrophobicContact CB-CD 4.43Å; N486-K502 HydrophobicContact CB-CG 4.14Å; N486-K502 WeakPolarHBondContact ND2-CE 3.44Å; N486-K502 PolarHBondContact ND2-NZ 2.84Å; I487-K502 WeakPolarHBondContact O-CA 3.16Å; Y488-K502 HydrophobicContact CD1-CB 4.07Å; Y488-K502 HydrophobicContact CD1-CG 4.12Å; Y488-K502 HydrophobicContact CE1-CB 4.04Å; Y488-K502 HydrophobicContact CE1-CD 3.69Å; Y488-K502 HydrophobicContact CE1-CG 3.7Å; Y488-K502 PolarHBondContact OH-NZ 2.88Å; Y499-K502 HydrophobicContact CD2-CB 4.34Å; Y499-K502 HydrophobicContact CE2-CB 3.92Å; K502-S504 WeakPolarHBondContact CE-OG 3.46Å; K502-E542 PolarHBondContact N-OE1 2.87Å
503	Y	95.6	Very high	88	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122	175.5	-45	-77.6	0	0	0	109.9	L479 I487 L489 H501 V525 W537 R539 E542	L479-Y503 HydrophobicContact CD1-CD2 4.08Å; L479-Y503 HydrophobicContact CD1-CE2 3.74Å; I487-Y503 HydrophobicContact CB-CD2 4.26Å; I487-Y503 HydrophobicContact CG2-CD2 4.05Å; I487-Y503 PolarHBondContact N-O 2.87Å; I487-Y503 VanDerWaalsContact N-O 3.14Å; I487-Y503 PolarHBondContact O-N 3.4Å; L489-Y503 HydrophobicContact CB-CE2 4.06Å; L489-Y503 WeakPolarHBondContact CD2-OH 3.48Å; H501-Y503 HydrophobicContact CB-CE1 4.23Å; H501-Y503 HydrophobicContact CB-CE2 4.1Å; H501-Y503 WeakPolarHBondContact CB-OH 3.3Å; Y503-V525 HydrophobicContact CD2-CB 4.42Å; Y503-V525 HydrophobicContact CD2-CG1 4.09Å; Y503-V525 HydrophobicContact CD2-CG2 4.25Å; Y503-V525 HydrophobicContact CE1-CG2 4.34Å; Y503-V525 HydrophobicContact CE2-CB 4.37Å; Y503-V525 HydrophobicContact CE2-CG1 4.4Å; Y503-V525 HydrophobicContact CE2-CG2 3.74Å; Y503-V525 HydrophobicContact CG-CG1 4.38Å; Y503-W537 HydrophobicContact CD1-CB 3.73Å; Y503-W537 AromaticContact CD1-CG 3.91Å; Y503-W537 HydrophobicContact CD1-CG 3.91Å; Y503-W537 HydrophobicContact CE1-CB 4.33Å; Y503-W537 HydrophobicContact CG-CB 4.46Å; Y503-W537 HydrophobicContact CG-CD2 4.43Å; Y503-W537 HydrophobicContact CG-CG 4.29Å; Y503-R539 PolarHBondContact OH-O 3.16Å; Y503-E542 HydrophobicContact CD1-CB 4.47Å; Y503-E542 HydrophobicContact CD1-CG 4.41Å; Y503-E542 HydrophobicContact CE1-CG 4.14Å
504	S	92	Very high	87.8	Confident	39 Å²	39	57.6 Å²	57.6	27%	0.273	31%	0.311	S	S	.	.			trans	-117.8	147.5	-176	-48	0	0	0	0	109.9	N486 K502 W537	N486-S504 WeakPolarHBondContact OD1-CA 3.49Å; N486-S504 WeakPolarHBondContact OD1-CB 3.14Å; N486-S504 PolarHBondContact OD1-OG 3.38Å; K502-S504 WeakPolarHBondContact CE-OG 3.46Å; S504-W537 PolarHBondContact O-NE1 3.2Å
505	G	85.2	Confident	87.9	Confident	36 Å²	36	53.9 Å²	53.9	37%	0.371	29%	0.294	S	S	.	.	S	Bend	trans	142.4	-49	175.3	0	0	0	0	0	113.8
506	H	88.1	Confident	88.4	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.065	29%	0.293	C	S	.	.			trans	-67.1	167.4	179.4	82	-24.4	0	0	0	113.4	E485 S527 Y535 W537	E485-H506 PolarHBondContact O-CE1 3.42Å; H506-S527 PolarHBondContact CD2-OG 3.17Å; H506-S527 VanDerWaalsContact CD2-OG 3.26Å; H506-Y535 HydrophobicContact CB-CD2 3.93Å; H506-Y535 HydrophobicContact CB-CE2 4.32Å; H506-W537 HydrophobicContact CB-CH2 4.12Å
507	R	88.5	Confident	89	Confident	91 Å²	91	48.9 Å²	48.9	34%	0.343	26%	0.257	S	S	.	.			trans	-119.4	137.2	171.4	-51.9	-174.1	-150.3	-172.6	12.2	110.6	M509 S529 D530 D531	R507-M509 HydrophobicContact CB-CE 4.28Å; R507-S529 PolarHBondContact N-OG 3.01Å; R507-S529 WeakPolarHBondContact O-CA 3.43Å; R507-D530 HydrophobicContact CB-CB 4.16Å; R507-D530 PolarHBondContact O-N 3.24Å; R507-D531 IonicContact CZ-OD2 3.5Å; R507-D531 IonicContact NE-OD2 3.52Å; R507-D531 PolarHBondContact NE-OD2 3.39Å; R507-D531 IonicContact NH2-OD2 3.35Å; R507-D531 PolarHBondContact NH2-OD2 3.2Å
508	N	88.4	Confident	89.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.011	25%	0.245	C	C	.	.			trans	-146.7	80	-178.4	-164.2	-13.4	0	0	0	107.6	T467 N483 D484 T511 V513	T467-N508 PolarHBondContact OG1-ND2 3.37Å; N483-N508 CarbonylContact C-O 3.41Å; N483-N508 WeakPolarHBondContact CA-O 3.25Å; D484-N508 PolarHBondContact N-O 2.88Å; N508-T511 PolarHBondContact OD1-O 3.12Å; N508-V513 HydrophobicContact CB-CB 4.31Å; N508-V513 PolarHBondContact ND2-O 2.85Å; N508-V513 PolarHBondContact OD1-N 3.15Å
509	M	83.3	Confident	89	Confident	108 Å²	108	42.5 Å²	42.5	53%	0.532	22%	0.223	S	C	.	.	S	Bend	trans	-135.1	-37.2	-167	-56.8	-177.1	-57.3	0	0	112.4	R507 D530	R507-M509 HydrophobicContact CB-CE 4.28Å; M509-D530 PolarHBondContact N-OD2 3.31Å
510	Q	73.5	Confident	88.3	Confident	155 Å²	155	40 Å²	40	72%	0.724	22%	0.217	S	C	*	.	S	Bend	trans	-102	-44.2	-176.2	-61.6	-170.6	4.5	0	0	112.1	D530	Q510-D530 PolarHBondContact N-OD2 3.46Å
511	T	80.7	Confident	87.7	Confident	32 Å²	32	37.9 Å²	37.9	20%	0.196	21%	0.207	C	C	.	.	S	Bend	trans	-106.6	-178.1	-179.2	69.3	0	0	0	0	112.2	N508 V513 D530 A555 N557	N508-T511 PolarHBondContact OD1-O 3.12Å; T511-V513 WeakPolarHBondContact OG1-CG2 3.27Å; T511-D530 WeakPolarHBondContact CB-OD1 3.05Å; T511-D530 PolarHBondContact N-OD1 3.14Å; T511-D530 PolarHBondContact OG1-OD1 3.29Å; T511-A555 HydrophobicContact CG2-CB 3.59Å; T511-N557 WeakPolarHBondContact CB-OD1 3.04Å; T511-N557 PolarHBondContact OG1-OD1 2.84Å
512	I	83.7	Confident	87.6	Confident	75 Å²	75	36.5 Å²	36.5	39%	0.385	20%	0.201	S	C	.	.			trans	-99.2	75.1	171.7	-54.5	-177.6	0	0	0	108	F321 T467	F321-I512 HydrophobicContact CD1-CD1 4.09Å; F321-I512 HydrophobicContact CD2-CD1 4.48Å; F321-I512 HydrophobicContact CE1-CD1 4.2Å; F321-I512 HydrophobicContact CG-CD1 4.23Å; F321-I512 HydrophobicContact CZ-CD1 4.43Å; T467-I512 HydrophobicContact CG2-CG2 4.1Å
513	V	83.8	Confident	87.2	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-71.9	130.8	178	-176.6	0	0	0	0	109.9	T467 N508 T511 G528	T467-V513 PolarHBondContact OG1-O 3.43Å; N508-V513 HydrophobicContact CB-CB 4.31Å; N508-V513 PolarHBondContact ND2-O 2.85Å; N508-V513 PolarHBondContact OD1-N 3.15Å; T511-V513 WeakPolarHBondContact OG1-CG2 3.27Å; V513-G528 VanDerWaalsContact CG1-O 3.3Å; V513-G528 WeakPolarHBondContact CG1-O 3.33Å
514	G	86.1	Confident	87.1	Confident	20 Å²	20	35.3 Å²	35.3	21%	0.206	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-101.8	137	175.8	0	0	0	0	0	113.8
515	A	93.9	Very high	87.3	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.033	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.6	165.2	0	0	0	0	0	111.6	V470 L479 I487 V526	V470-A515 VanDerWaalsContact CG2-O 3.32Å; V470-A515 WeakPolarHBondContact CG2-O 3.33Å; L479-A515 HydrophobicContact CD2-CB 3.81Å; I487-A515 HydrophobicContact CD1-CB 3.68Å; I487-A515 HydrophobicContact CG1-CB 3.99Å; I487-A515 HydrophobicContact CG2-CB 3.96Å; A515-V526 CarbonylContact C-O 3.58Å; A515-V526 WeakPolarHBondContact CA-O 3.14Å
516	T	95.8	Very high	87.9	Confident	34 Å²	34	31.8 Å²	31.8	21%	0.209	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	177.3	-179.6	-166.1	0	0	0	0	111.3	V526	T516-V526 HydrophobicContact CG2-CB 4.36Å; T516-V526 PolarHBondContact N-O 2.97Å; T516-V526 PolarHBondContact O-N 3.47Å
517	F	95.3	Very high	88.2	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.057	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	155.6	172.2	-67	-72.8	0	0	0	112	V470 Y471 L479 L489 Y524 V525	V470-F517 HydrophobicContact CG1-CD2 4.2Å; Y471-F517 WeakPolarHBondContact O-CD2 3.43Å; L479-F517 HydrophobicContact CB-CE1 4.43Å; L479-F517 HydrophobicContact CB-CE2 3.78Å; L479-F517 HydrophobicContact CB-CZ 3.68Å; L479-F517 HydrophobicContact CD1-CE1 4.42Å; L479-F517 HydrophobicContact CD1-CZ 4.36Å; L479-F517 HydrophobicContact CD2-CZ 4.46Å; L479-F517 HydrophobicContact CG-CZ 4.4Å; L489-F517 HydrophobicContact CD1-CE1 4.36Å; L489-F517 HydrophobicContact CD1-CZ 3.76Å; F517-Y524 CarbonylContact C-O 3.51Å; F517-Y524 WeakPolarHBondContact CA-O 3.15Å; F517-V525 HydrophobicContact CD1-CG2 3.81Å; F517-V525 HydrophobicContact CE1-CG2 3.75Å
518	F	93.1	Very high	88.5	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	169.9	-178.9	-99.3	0	0	0	110.5	Q164 V170 S522 E523 Y524 V526 L568	Q164-F518 HydrophobicContact CG-CZ 4.43Å; Q164-F518 WeakPolarHBondContact O-CE1 3.27Å; V170-F518 HydrophobicContact CG2-CD1 4.02Å; V170-F518 HydrophobicContact CG2-CE1 3.67Å; F518-S522 CarbonylContact O-C 3.56Å; F518-E523 PolarHBondContact O-N 3.48Å; F518-Y524 AromaticContact CD1-CD2 3.86Å; F518-Y524 HydrophobicContact CD1-CD2 3.86Å; F518-Y524 HydrophobicContact CD1-CG 4.49Å; F518-Y524 PolarHBondContact N-O 3.06Å; F518-Y524 PolarHBondContact O-N 2.68Å; F518-V526 HydrophobicContact CB-CG2 3.55Å; F518-V526 HydrophobicContact CG-CG2 4.41Å; F518-L568 HydrophobicContact CD2-CD2 3.37Å; F518-L568 HydrophobicContact CD2-CG 4.15Å; F518-L568 HydrophobicContact CE2-CD2 3.65Å; F518-L568 HydrophobicContact CE2-CG 4.04Å; F518-L568 HydrophobicContact CG-CD2 4.19Å
519	G	85.2	Confident	88.8	Confident	11 Å²	11	26.7 Å²	26.7	11%	0.113	15%	0.146	C	C	.	.	S	Bend	trans	82.6	146.9	-166.6	0	0	0	0	0	112.3	N521 S522	G519-N521 VanDerWaalsContact C-N 3.29Å; G519-N521 PolarHBondContact O-N 3.1Å; G519-S522 WeakPolarHBondContact O-CA 3.35Å; G519-S522 PolarHBondContact O-N 2.85Å
520	P	77.9	Confident	89.2	Confident	34 Å²	34	22.8 Å²	22.8	22%	0.221	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.6	-170.1	27.5	-35.3	0	0	0	114.2	E161 A473	E161-P520 HydrophobicContact CB-CB 4.18Å; E161-P520 HydrophobicContact CB-CG 3.68Å; E161-P520 HydrophobicContact CG-CB 3.89Å; E161-P520 HydrophobicContact CG-CG 3.98Å; E161-P520 WeakPolarHBondContact O-CG 3.39Å; A473-P520 WeakPolarHBondContact CB-O 3.35Å
521	N	82.8	Confident	89.9	Confident	37 Å²	37	16.8 Å²	16.8	20%	0.198	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	21.3	172.3	-41.4	-98.7	0	0	0	111	Q157 G519 E523	Q157-N521 PolarHBondContact NE2-ND2 2.98Å; Q157-N521 PolarHBondContact NE2-OD1 3.2Å; G519-N521 VanDerWaalsContact C-N 3.29Å; G519-N521 PolarHBondContact O-N 3.1Å; N521-E523 VanDerWaalsContact C-N 3.28Å; N521-E523 WeakPolarHBondContact CA-OE2 3.43Å; N521-E523 WeakPolarHBondContact CB-OE1 3.49Å; N521-E523 WeakPolarHBondContact CB-OE2 3.33Å; N521-E523 PolarHBondContact N-OE2 2.84Å; N521-E523 PolarHBondContact ND2-OE1 3.26Å; N521-E523 PolarHBondContact ND2-OE2 2.88Å; N521-E523 PolarHBondContact O-N 2.84Å
522	S	91.7	Very high	90.4	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.028	9%	0.091	C	C	.	.			trans	58	36.8	-173.8	-54.4	0	0	0	0	113.1	A473 F518 G519 Y524 R539	A473-S522 PolarHBondContact N-OG 2.9Å; F518-S522 CarbonylContact O-C 3.56Å; G519-S522 WeakPolarHBondContact O-CA 3.35Å; G519-S522 PolarHBondContact O-N 2.85Å; S522-Y524 PolarHBondContact O-N 3.32Å; S522-R539 WeakPolarHBondContact O-CD 3.3Å
523	E	87.1	Confident	90.9	Very high	24 Å²	24	15.2 Å²	15.2	11%	0.112	9%	0.086	C	C	.	.			trans	-49.7	-30.6	177.6	-83	78.3	-171	0	0	114.3	R122 F518 N521 R539	R122-E523 IonicContact CZ-OE1 2.72Å; R122-E523 IonicContact NH1-OE1 3.82Å; R122-E523 IonicContact NH2-OE1 3.84Å; R122-E523 PolarHBondContact NH2-OE1 3.3Å; F518-E523 PolarHBondContact O-N 3.48Å; N521-E523 VanDerWaalsContact C-N 3.28Å; N521-E523 WeakPolarHBondContact CA-OE2 3.43Å; N521-E523 WeakPolarHBondContact CB-OE1 3.49Å; N521-E523 WeakPolarHBondContact CB-OE2 3.33Å; N521-E523 PolarHBondContact N-OE2 2.84Å; N521-E523 PolarHBondContact ND2-OE1 3.26Å; N521-E523 PolarHBondContact ND2-OE2 2.88Å; N521-E523 PolarHBondContact O-N 2.84Å; E523-R539 WeakPolarHBondContact O-CB 3.35Å; E523-R539 PolarHBondContact O-N 3.07Å; E523-R539 VanDerWaalsContact O-N 3.08Å
524	Y	93.1	Very high	91.4	Very high	6 Å²	6	15.2 Å²	15.2	2%	0.024	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.8	-171.8	-54.4	-65.5	0	0	0	111.6	G165 L167 V170 F517 F518 S522 W537 I545	G165-Y524 PolarHBondContact O-OH 3.18Å; L167-Y524 WeakPolarHBondContact CA-OH 3.34Å; L167-Y524 PolarHBondContact N-OH 3Å; V170-Y524 HydrophobicContact CG2-CD2 3.8Å; V170-Y524 HydrophobicContact CG2-CE2 3.58Å; V170-Y524 HydrophobicContact CG2-CG 4.38Å; F517-Y524 CarbonylContact C-O 3.51Å; F517-Y524 WeakPolarHBondContact CA-O 3.15Å; F518-Y524 AromaticContact CD1-CD2 3.86Å; F518-Y524 HydrophobicContact CD1-CD2 3.86Å; F518-Y524 HydrophobicContact CD1-CG 4.49Å; F518-Y524 PolarHBondContact N-O 3.06Å; F518-Y524 PolarHBondContact O-N 2.68Å; S522-Y524 PolarHBondContact O-N 3.32Å; Y524-W537 VanDerWaalsContact CA-O 3.31Å; Y524-W537 WeakPolarHBondContact CA-O 3.47Å; Y524-I545 HydrophobicContact CD1-CD1 3.26Å; Y524-I545 HydrophobicContact CE1-CD1 3.24Å; Y524-I545 HydrophobicContact CG-CD1 4.43Å
525	V	96.6	Very high	91.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.4	167.3	170.7	0	0	0	0	108.1	L479 Y503 F517 L536 W537	L479-V525 HydrophobicContact CD1-CG1 4.16Å; L479-V525 HydrophobicContact CD1-CG2 3.96Å; L479-V525 HydrophobicContact CD2-CG1 3.78Å; L479-V525 HydrophobicContact CD2-CG2 4.3Å; Y503-V525 HydrophobicContact CD2-CB 4.42Å; Y503-V525 HydrophobicContact CD2-CG1 4.09Å; Y503-V525 HydrophobicContact CD2-CG2 4.25Å; Y503-V525 HydrophobicContact CE1-CG2 4.34Å; Y503-V525 HydrophobicContact CE2-CB 4.37Å; Y503-V525 HydrophobicContact CE2-CG1 4.4Å; Y503-V525 HydrophobicContact CE2-CG2 3.74Å; Y503-V525 HydrophobicContact CG-CG1 4.38Å; F517-V525 HydrophobicContact CD1-CG2 3.81Å; F517-V525 HydrophobicContact CE1-CG2 3.75Å; V525-L536 CarbonylContact O-C 3.27Å; V525-L536 WeakPolarHBondContact O-CA 3.38Å; V525-W537 HydrophobicContact CB-CE3 4.32Å; V525-W537 HydrophobicContact CG1-CE3 3.91Å; V525-W537 HydrophobicContact CG1-CZ3 4.26Å; V525-W537 PolarHBondContact N-O 2.98Å; V525-W537 PolarHBondContact O-N 3.31Å
526	V	96.6	Very high	91.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.1	179.6	-173.6	0	0	0	0	109.3	A515 T516 F518 F534 Y535 L536 I559 L568	A515-V526 CarbonylContact C-O 3.58Å; A515-V526 WeakPolarHBondContact CA-O 3.14Å; T516-V526 HydrophobicContact CG2-CB 4.36Å; T516-V526 PolarHBondContact N-O 2.97Å; T516-V526 PolarHBondContact O-N 3.47Å; F518-V526 HydrophobicContact CB-CG2 3.55Å; F518-V526 HydrophobicContact CG-CG2 4.41Å; V526-F534 HydrophobicContact CG1-CD2 4.07Å; V526-Y535 WeakPolarHBondContact CA-O 3.16Å; V526-L536 HydrophobicContact CG1-CG 4.2Å; V526-L536 HydrophobicContact CG2-CB 4.48Å; V526-L536 HydrophobicContact CG2-CD2 4.2Å; V526-L536 HydrophobicContact CG2-CG 4.02Å; V526-I559 HydrophobicContact CG1-CD1 3.94Å; V526-I559 HydrophobicContact CG1-CG2 3.98Å; V526-L568 HydrophobicContact CG1-CD1 4.27Å
527	S	96.3	Very high	91.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	144.8	174.6	-176	0	0	0	0	110.6	H506 F534 Y535 I559	H506-S527 PolarHBondContact CD2-OG 3.17Å; H506-S527 VanDerWaalsContact CD2-OG 3.26Å; S527-F534 VanDerWaalsContact O-CA 3.3Å; S527-F534 WeakPolarHBondContact O-CA 3.21Å; S527-F534 VanDerWaalsContact O-CB 3.31Å; S527-F534 WeakPolarHBondContact O-CB 3.35Å; S527-Y535 PolarHBondContact N-O 3.47Å; S527-Y535 VanDerWaalsContact N-O 3.07Å; S527-Y535 PolarHBondContact O-N 3.11Å; S527-I559 VanDerWaalsContact C-CD1 3.5Å
528	G	94.2	Very high	91.3	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	7%	0.068	C	C	.	.			trans	-69.5	-172.6	161.7	0	0	0	0	0	111.7	V513 V556 I559	V513-G528 VanDerWaalsContact CG1-O 3.3Å; V513-G528 WeakPolarHBondContact CG1-O 3.33Å; G528-V556 WeakPolarHBondContact CA-O 3.07Å; G528-I559 VanDerWaalsContact N-CD1 3.27Å
529	S	94.1	Very high	91.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.			trans	-161.1	150.9	-177.6	-167.2	0	0	0	0	111.1	R507 D531 Y533 V556	R507-S529 PolarHBondContact N-OG 3.01Å; R507-S529 WeakPolarHBondContact O-CA 3.43Å; S529-D531 WeakPolarHBondContact CB-OD1 3.18Å; S529-D531 PolarHBondContact O-N 2.8Å; S529-D531 PolarHBondContact OG-OD1 3.11Å; S529-Y533 WeakPolarHBondContact CB-O 3.18Å; S529-Y533 PolarHBondContact N-O 3.49Å; S529-Y533 VanDerWaalsContact N-O 3.14Å; S529-V556 PolarHBondContact O-N 3Å
530	D	91.6	Very high	91.3	Very high	25 Å²	25	19 Å²	19	13%	0.134	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	5.9	171	-70.1	-36.9	0	0	0	114.2	R507 M509 Q510 T511 A555	R507-D530 HydrophobicContact CB-CB 4.16Å; R507-D530 PolarHBondContact O-N 3.24Å; M509-D530 PolarHBondContact N-OD2 3.31Å; Q510-D530 PolarHBondContact N-OD2 3.46Å; T511-D530 WeakPolarHBondContact CB-OD1 3.05Å; T511-D530 PolarHBondContact N-OD1 3.14Å; T511-D530 PolarHBondContact OG1-OD1 3.29Å; D530-A555 HydrophobicContact CB-CB 4.46Å
531	D	89.4	Confident	91.4	Very high	30 Å²	30	18 Å²	18	16%	0.16	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	22.4	177.2	64.3	-3	0	0	0	114.3	R507 S529 Y533	R507-D531 IonicContact CZ-OD2 3.5Å; R507-D531 IonicContact NE-OD2 3.52Å; R507-D531 PolarHBondContact NE-OD2 3.39Å; R507-D531 IonicContact NH2-OD2 3.35Å; R507-D531 PolarHBondContact NH2-OD2 3.2Å; S529-D531 WeakPolarHBondContact CB-OD1 3.18Å; S529-D531 PolarHBondContact O-N 2.8Å; S529-D531 PolarHBondContact OG-OD1 3.11Å; D531-Y533 WeakPolarHBondContact O-CD2 3.41Å; D531-Y533 PolarHBondContact O-N 3.21Å
532	G	91.1	Very high	91.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	81.4	-13.7	176.8	0	0	0	0	0	115.2	A550 D551 G554 V556	G532-A550 PolarHBondContact O-N 3.35Å; G532-D551 WeakPolarHBondContact CA-O 3.45Å; G532-D551 PolarHBondContact O-N 3.06Å; G532-G554 WeakPolarHBondContact CA-O 2.99Å; G532-G554 PolarHBondContact N-O 3.19Å; G532-G554 VanDerWaalsContact N-O 3.11Å; G532-V556 WeakPolarHBondContact O-CG2 3.36Å
533	Y	93.7	Very high	91.3	Very high	73 Å²	73	19 Å²	19	29%	0.286	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	159.1	179.6	-67.3	-94.6	0	0	0	112.8	S529 D531 L548 H549	S529-Y533 WeakPolarHBondContact CB-O 3.18Å; S529-Y533 PolarHBondContact N-O 3.49Å; S529-Y533 VanDerWaalsContact N-O 3.14Å; D531-Y533 WeakPolarHBondContact O-CD2 3.41Å; D531-Y533 PolarHBondContact O-N 3.21Å; Y533-L548 CarbonylContact C-O 3.5Å; Y533-L548 VanDerWaalsContact CA-O 3.25Å; Y533-L548 WeakPolarHBondContact CA-O 3.34Å; Y533-H549 HydrophobicContact CD1-CB 3.95Å; Y533-H549 HydrophobicContact CE1-CB 3.51Å; Y533-H549 AromaticContact CE1-CG 3.81Å; Y533-H549 AromaticContact CE2-CD2 3.68Å; Y533-H549 AromaticContact CE2-NE2 3.93Å; Y533-H549 AromaticContact CZ-CD2 3.67Å; Y533-H549 AromaticContact CZ-CG 3.61Å; Y533-H549 AromaticContact CZ-ND1 4Å
534	F	94.7	Very high	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.5	153.1	70.5	-83.2	0	0	0	112.1	V526 S527 L536 W547 L548 A550 I559 L568 W580	V526-F534 HydrophobicContact CG1-CD2 4.07Å; S527-F534 VanDerWaalsContact O-CA 3.3Å; S527-F534 WeakPolarHBondContact O-CA 3.21Å; S527-F534 VanDerWaalsContact O-CB 3.31Å; S527-F534 WeakPolarHBondContact O-CB 3.35Å; F534-L536 HydrophobicContact CD2-CD1 3.68Å; F534-L536 HydrophobicContact CD2-CG 4.46Å; F534-L536 HydrophobicContact CE2-CD1 3.69Å; F534-L536 HydrophobicContact CE2-CG 4.48Å; F534-W547 WeakPolarHBondContact O-CA 3.49Å; F534-W547 WeakPolarHBondContact O-CB 3.47Å; F534-L548 HydrophobicContact CD1-CB 3.86Å; F534-L548 WeakPolarHBondContact CD1-O 3.46Å; F534-L548 HydrophobicContact CE1-CB 3.37Å; F534-L548 HydrophobicContact CE1-CD1 4.11Å; F534-L548 HydrophobicContact CE1-CG 4.36Å; F534-L548 HydrophobicContact CE2-CB 4.26Å; F534-L548 HydrophobicContact CE2-CD1 3.88Å; F534-L548 HydrophobicContact CG-CB 4.48Å; F534-L548 HydrophobicContact CZ-CB 3.62Å; F534-L548 HydrophobicContact CZ-CD1 3.43Å; F534-L548 VanDerWaalsContact CZ-CD1 3.43Å; F534-L548 HydrophobicContact CZ-CG 4.14Å; F534-L548 PolarHBondContact N-O 3.08Å; F534-L548 PolarHBondContact O-N 2.98Å; F534-A550 HydrophobicContact CD1-CB 4Å; F534-A550 HydrophobicContact CE1-CB 4.25Å; F534-I559 HydrophobicContact CB-CD1 3.28Å; F534-I559 HydrophobicContact CD2-CD1 3.88Å; F534-I559 HydrophobicContact CG-CD1 3.73Å; F534-L568 HydrophobicContact CE2-CD1 3.69Å; F534-L568 HydrophobicContact CZ-CD1 4.44Å; F534-W580 AromaticContact CE1-CD2 3.72Å; F534-W580 HydrophobicContact CE1-CD2 3.72Å; F534-W580 AromaticContact CE1-CE2 3.48Å; F534-W580 VanDerWaalsContact CE1-CE2 3.48Å; F534-W580 HydrophobicContact CE1-CE3 4.14Å; F534-W580 HydrophobicContact CE1-CG 4.22Å; F534-W580 HydrophobicContact CE1-CH2 4.24Å; F534-W580 AromaticContact CE1-CZ2 3.78Å; F534-W580 HydrophobicContact CE1-CZ2 3.78Å; F534-W580 HydrophobicContact CE1-CZ3 4.38Å; F534-W580 AromaticContact CE1-NE1 3.7Å; F534-W580 HydrophobicContact CZ-CB 4.48Å; F534-W580 AromaticContact CZ-CD1 3.89Å; F534-W580 AromaticContact CZ-CD2 3.64Å; F534-W580 HydrophobicContact CZ-CD2 3.64Å; F534-W580 AromaticContact CZ-CE2 3.86Å; F534-W580 HydrophobicContact CZ-CE3 4.1Å; F534-W580 AromaticContact CZ-CG 3.75Å; F534-W580 HydrophobicContact CZ-CG 3.75Å; F534-W580 AromaticContact CZ-NE1 3.92Å
535	Y	94.7	Very high	91	Very high	18 Å²	18	20.4 Å²	20.4	7%	0.071	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.4	-170.5	-67.6	-91.4	0	0	0	110.3	H506 V526 S527 W537 I544 W547	H506-Y535 HydrophobicContact CB-CD2 3.93Å; H506-Y535 HydrophobicContact CB-CE2 4.32Å; V526-Y535 WeakPolarHBondContact CA-O 3.16Å; S527-Y535 PolarHBondContact N-O 3.47Å; S527-Y535 VanDerWaalsContact N-O 3.07Å; S527-Y535 PolarHBondContact O-N 3.11Å; Y535-W537 VanDerWaalsContact CB-CH2 3.44Å; Y535-W537 HydrophobicContact CG-CH2 4.31Å; Y535-W537 HydrophobicContact CG-CZ2 4.31Å; Y535-W537 WeakPolarHBondContact O-CZ3 3.11Å; Y535-I544 HydrophobicContact CD1-CD1 4.16Å; Y535-I544 HydrophobicContact CD1-CG2 4.42Å; Y535-W547 HydrophobicContact CD1-CB 3.82Å; Y535-W547 HydrophobicContact CD1-CE3 4.11Å; Y535-W547 HydrophobicContact CE1-CB 3.97Å; Y535-W547 HydrophobicContact CE1-CD2 4.27Å; Y535-W547 AromaticContact CE1-CE3 3.91Å; Y535-W547 HydrophobicContact CE1-CE3 3.91Å; Y535-W547 HydrophobicContact CE1-CG 4.3Å; Y535-W547 HydrophobicContact CG-CB 4.41Å
536	L	94.2	Very high	90.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.9	177.7	-57.9	84.3	0	0	0	109.6	V170 L173 V525 V526 F534 I544 I545 Q546 L568	V170-L536 HydrophobicContact CG1-CD2 3.87Å; L173-L536 HydrophobicContact CD1-CD2 3.7Å; V525-L536 CarbonylContact O-C 3.27Å; V525-L536 WeakPolarHBondContact O-CA 3.38Å; V526-L536 HydrophobicContact CG1-CG 4.2Å; V526-L536 HydrophobicContact CG2-CB 4.48Å; V526-L536 HydrophobicContact CG2-CD2 4.2Å; V526-L536 HydrophobicContact CG2-CG 4.02Å; F534-L536 HydrophobicContact CD2-CD1 3.68Å; F534-L536 HydrophobicContact CD2-CG 4.46Å; F534-L536 HydrophobicContact CE2-CD1 3.69Å; F534-L536 HydrophobicContact CE2-CG 4.48Å; L536-I544 CarbonylContact O-C 3.58Å; L536-I544 WeakPolarHBondContact O-CA 3.46Å; L536-I545 PolarHBondContact O-N 2.65Å; L536-Q546 HydrophobicContact CD1-CB 4.18Å; L536-Q546 HydrophobicContact CD1-CG 4.29Å; L536-Q546 WeakPolarHBondContact CD1-O 3.23Å; L536-Q546 PolarHBondContact N-O 3.47Å; L536-L568 HydrophobicContact CD2-CD1 4.03Å
537	W	92.8	Very high	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.7	179.5	-57.5	-101	0	0	0	112	I487 Y503 S504 H506 Y524 V525 Y535 R539 G543 I544	I487-W537 HydrophobicContact CD1-CH2 3.67Å; I487-W537 HydrophobicContact CD1-CZ2 4.48Å; I487-W537 HydrophobicContact CD1-CZ3 3.87Å; Y503-W537 HydrophobicContact CD1-CB 3.73Å; Y503-W537 AromaticContact CD1-CG 3.91Å; Y503-W537 HydrophobicContact CD1-CG 3.91Å; Y503-W537 HydrophobicContact CE1-CB 4.33Å; Y503-W537 HydrophobicContact CG-CB 4.46Å; Y503-W537 HydrophobicContact CG-CD2 4.43Å; Y503-W537 HydrophobicContact CG-CG 4.29Å; S504-W537 PolarHBondContact O-NE1 3.2Å; H506-W537 HydrophobicContact CB-CH2 4.12Å; Y524-W537 VanDerWaalsContact CA-O 3.31Å; Y524-W537 WeakPolarHBondContact CA-O 3.47Å; V525-W537 HydrophobicContact CB-CE3 4.32Å; V525-W537 HydrophobicContact CG1-CE3 3.91Å; V525-W537 HydrophobicContact CG1-CZ3 4.26Å; V525-W537 PolarHBondContact N-O 2.98Å; V525-W537 PolarHBondContact O-N 3.31Å; Y535-W537 VanDerWaalsContact CB-CH2 3.44Å; Y535-W537 HydrophobicContact CG-CH2 4.31Å; Y535-W537 HydrophobicContact CG-CZ2 4.31Å; Y535-W537 WeakPolarHBondContact O-CZ3 3.11Å; W537-R539 PolarHBondContact O-N 3.02Å; W537-G543 WeakPolarHBondContact CA-O 3.41Å; W537-I544 VanDerWaalsContact CD1-CG1 3.46Å; W537-I544 HydrophobicContact CG-CG1 4.33Å; W537-I544 VanDerWaalsContact NE1-CG1 3.31Å
538	D	87	Confident	90.1	Very high	12 Å²	12	24.2 Å²	24.2	6%	0.064	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.4	164.3	-176.9	107	0	0	0	109.2	S117 E540 S541 E542 G543 I545	S117-D538 WeakPolarHBondContact CB-OD1 3.37Å; S117-D538 PolarHBondContact OG-OD1 3.34Å; D538-E540 VanDerWaalsContact C-N 3.25Å; D538-E540 PolarHBondContact O-N 2.86Å; D538-E540 PolarHBondContact OD2-N 2.96Å; D538-S541 WeakPolarHBondContact CB-OG 3.33Å; D538-S541 PolarHBondContact O-N 3.05Å; D538-S541 WeakPolarHBondContact OD2-CB 3.42Å; D538-S541 PolarHBondContact OD2-N 2.88Å; D538-S541 PolarHBondContact OD2-OG 3.32Å; D538-E542 PolarHBondContact O-N 2.83Å; D538-G543 PolarHBondContact N-O 3Å; D538-I545 HydrophobicContact CB-CD1 3.91Å; D538-I545 HydrophobicContact CB-CG1 4.12Å
539	R	89.9	Confident	89.9	Confident	35 Å²	35	27.8 Å²	27.8	13%	0.132	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.4	-171	176	176.8	160.3	-82.6	-1.7	113.1	L489 H501 Y503 S522 E523 W537	L489-R539 HydrophobicContact CD2-CG 3.92Å; H501-R539 PolarHBondContact CD2-O 3.03Å; Y503-R539 PolarHBondContact OH-O 3.16Å; S522-R539 WeakPolarHBondContact O-CD 3.3Å; E523-R539 WeakPolarHBondContact O-CB 3.35Å; E523-R539 PolarHBondContact O-N 3.07Å; E523-R539 VanDerWaalsContact O-N 3.08Å; W537-R539 PolarHBondContact O-N 3.02Å
540	E	87.1	Confident	89.8	Confident	98 Å²	98	28 Å²	28	46%	0.458	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-18.7	-170.3	-65.8	-86.5	146.8	0	0	113.6	H501 D538	H501-E540 PolarHBondContact CE1-O 3.33Å; D538-E540 VanDerWaalsContact C-N 3.25Å; D538-E540 PolarHBondContact O-N 2.86Å; D538-E540 PolarHBondContact OD2-N 2.96Å
541	S	81.6	Confident	89.6	Confident	14 Å²	14	26.9 Å²	26.9	10%	0.098	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	1.8	-176.2	65.5	0	0	0	0	115.2	D538 G543 F870	D538-S541 WeakPolarHBondContact CB-OG 3.33Å; D538-S541 PolarHBondContact O-N 3.05Å; D538-S541 WeakPolarHBondContact OD2-CB 3.42Å; D538-S541 PolarHBondContact OD2-N 2.88Å; D538-S541 PolarHBondContact OD2-OG 3.32Å; S541-G543 PolarHBondContact O-N 3.17Å; S541-F870 WeakPolarHBondContact OG-CE2 3.35Å; S541-F870 WeakPolarHBondContact OG-CZ 2.98Å
542	E	90.9	Very high	88.9	Confident	57 Å²	57	31.2 Å²	31.2	27%	0.266	15%	0.146	S	C	.	.			trans	62	-2.4	169.8	-56	174.6	152	0	0	115.5	H501 K502 Y503 D538	H501-E542 WeakPolarHBondContact CA-OE1 3.32Å; H501-E542 HydrophobicContact CB-CG 4.23Å; H501-E542 VanDerWaalsContact CB-OE1 3.28Å; H501-E542 WeakPolarHBondContact CB-OE1 3.36Å; H501-E542 IonicContact CG-OE1 3.95Å; H501-E542 IonicContact ND1-OE1 3.83Å; H501-E542 PolarHBondContact ND1-OE1 3.01Å; K502-E542 PolarHBondContact N-OE1 2.87Å; Y503-E542 HydrophobicContact CD1-CB 4.47Å; Y503-E542 HydrophobicContact CD1-CG 4.41Å; Y503-E542 HydrophobicContact CE1-CG 4.14Å; D538-E542 PolarHBondContact O-N 2.83Å
543	G	79.8	Confident	87.8	Confident	5 Å²	5	38.7 Å²	38.7	5%	0.052	19%	0.186	C	C	.	.			trans	-71.4	133.7	175.2	0	0	0	0	0	111.5	W537 D538 S541 I545	W537-G543 WeakPolarHBondContact CA-O 3.41Å; D538-G543 PolarHBondContact N-O 3Å; S541-G543 PolarHBondContact O-N 3.17Å; G543-I545 PolarHBondContact O-N 3.27Å
544	I	88.3	Confident	87	Confident	25 Å²	25	35.7 Å²	35.7	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.5	167.2	-55.7	162.3	0	0	0	108.2	Y535 L536 W537 Q546 W547	Y535-I544 HydrophobicContact CD1-CD1 4.16Å; Y535-I544 HydrophobicContact CD1-CG2 4.42Å; L536-I544 CarbonylContact O-C 3.58Å; L536-I544 WeakPolarHBondContact O-CA 3.46Å; W537-I544 VanDerWaalsContact CD1-CG1 3.46Å; W537-I544 HydrophobicContact CG-CG1 4.33Å; W537-I544 VanDerWaalsContact NE1-CG1 3.31Å; I544-Q546 WeakPolarHBondContact CG2-O 3.38Å; I544-W547 HydrophobicContact CD1-CE3 4.18Å; I544-W547 HydrophobicContact CD1-CZ3 4.06Å; I544-W547 HydrophobicContact CG2-CE3 3.76Å; I544-W547 HydrophobicContact CG2-CZ3 4.24Å
545	I	86.5	Confident	86.9	Confident	34 Å²	34	35.8 Å²	35.8	17%	0.174	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-42.7	176.4	-62.1	168	0	0	0	110.2	L167 V170 T171 Y524 L536 D538 G543	L167-I545 HydrophobicContact CD1-CD1 4.02Å; L167-I545 HydrophobicContact CD1-CG1 4.28Å; L167-I545 HydrophobicContact CD1-CG2 3.65Å; V170-I545 HydrophobicContact CG1-CB 4.37Å; V170-I545 HydrophobicContact CG1-CD1 4.31Å; V170-I545 HydrophobicContact CG1-CG2 3.76Å; T171-I545 HydrophobicContact CG2-CG2 3.46Å; T171-I545 VanDerWaalsContact CG2-CG2 3.46Å; Y524-I545 HydrophobicContact CD1-CD1 3.26Å; Y524-I545 HydrophobicContact CE1-CD1 3.24Å; Y524-I545 HydrophobicContact CG-CD1 4.43Å; L536-I545 PolarHBondContact O-N 2.65Å; D538-I545 HydrophobicContact CB-CD1 3.91Å; D538-I545 HydrophobicContact CB-CG1 4.12Å; G543-I545 PolarHBondContact O-N 3.27Å
546	Q	87	Confident	86.9	Confident	11 Å²	11	35 Å²	35	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	149.3	-172	179.5	70.7	-42.1	0	0	109.5	L173 L536 I544 L548	L173-Q546 PolarHBondContact O-NE2 3.3Å; L536-Q546 HydrophobicContact CD1-CB 4.18Å; L536-Q546 HydrophobicContact CD1-CG 4.29Å; L536-Q546 WeakPolarHBondContact CD1-O 3.23Å; L536-Q546 PolarHBondContact N-O 3.47Å; I544-Q546 WeakPolarHBondContact CG2-O 3.38Å; Q546-L548 HydrophobicContact CG-CD1 4.14Å; Q546-L548 HydrophobicContact CG-CG 4.07Å
547	W	90.6	Very high	86.8	Confident	66 Å²	66	36.1 Å²	36.1	25%	0.25	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.7	159.4	56.4	67.5	0	0	0	110.3	F534 Y535 I544 V879 R886	F534-W547 WeakPolarHBondContact O-CA 3.49Å; F534-W547 WeakPolarHBondContact O-CB 3.47Å; Y535-W547 HydrophobicContact CD1-CB 3.82Å; Y535-W547 HydrophobicContact CD1-CE3 4.11Å; Y535-W547 HydrophobicContact CE1-CB 3.97Å; Y535-W547 HydrophobicContact CE1-CD2 4.27Å; Y535-W547 AromaticContact CE1-CE3 3.91Å; Y535-W547 HydrophobicContact CE1-CE3 3.91Å; Y535-W547 HydrophobicContact CE1-CG 4.3Å; Y535-W547 HydrophobicContact CG-CB 4.41Å; I544-W547 HydrophobicContact CD1-CE3 4.18Å; I544-W547 HydrophobicContact CD1-CZ3 4.06Å; I544-W547 HydrophobicContact CG2-CE3 3.76Å; I544-W547 HydrophobicContact CG2-CZ3 4.24Å; W547-V879 HydrophobicContact CH2-CG1 3.56Å; W547-V879 HydrophobicContact CH2-CG2 4.3Å; W547-V879 HydrophobicContact CZ2-CG1 3.7Å; W547-R886 PolarHBondContact O-NH1 2.94Å
548	L	92	Very high	86.9	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.8	-172	-75.7	162	0	0	0	109.2	L173 Y533 F534 Q546 W580	L173-L548 HydrophobicContact CB-CD1 3.78Å; L173-L548 WeakPolarHBondContact O-CD2 3.5Å; Y533-L548 CarbonylContact C-O 3.5Å; Y533-L548 VanDerWaalsContact CA-O 3.25Å; Y533-L548 WeakPolarHBondContact CA-O 3.34Å; F534-L548 HydrophobicContact CD1-CB 3.86Å; F534-L548 WeakPolarHBondContact CD1-O 3.46Å; F534-L548 HydrophobicContact CE1-CB 3.37Å; F534-L548 HydrophobicContact CE1-CD1 4.11Å; F534-L548 HydrophobicContact CE1-CG 4.36Å; F534-L548 HydrophobicContact CE2-CB 4.26Å; F534-L548 HydrophobicContact CE2-CD1 3.88Å; F534-L548 HydrophobicContact CG-CB 4.48Å; F534-L548 HydrophobicContact CZ-CB 3.62Å; F534-L548 HydrophobicContact CZ-CD1 3.43Å; F534-L548 VanDerWaalsContact CZ-CD1 3.43Å; F534-L548 HydrophobicContact CZ-CG 4.14Å; F534-L548 PolarHBondContact N-O 3.08Å; F534-L548 PolarHBondContact O-N 2.98Å; Q546-L548 HydrophobicContact CG-CD1 4.14Å; Q546-L548 HydrophobicContact CG-CG 4.07Å; L548-W580 HydrophobicContact CB-CE3 4.2Å; L548-W580 HydrophobicContact CB-CH2 4.45Å; L548-W580 HydrophobicContact CB-CZ3 3.96Å; L548-W580 HydrophobicContact CD1-CD2 4.46Å; L548-W580 HydrophobicContact CD1-CE3 3.83Å; L548-W580 HydrophobicContact CD1-CZ3 4.36Å; L548-W580 HydrophobicContact CD2-CE3 4.04Å; L548-W580 HydrophobicContact CD2-CZ3 3.85Å; L548-W580 HydrophobicContact CG-CE3 4.23Å; L548-W580 HydrophobicContact CG-CZ3 4.27Å
549	H	91.9	Very high	87.3	Confident	76 Å²	76	37.5 Å²	37.5	35%	0.352	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112.1	179.7	-161.7	-169.5	0	0	0	107.6	Y533 W580	Y533-H549 HydrophobicContact CD1-CB 3.95Å; Y533-H549 HydrophobicContact CE1-CB 3.51Å; Y533-H549 AromaticContact CE1-CG 3.81Å; Y533-H549 AromaticContact CE2-CD2 3.68Å; Y533-H549 AromaticContact CE2-NE2 3.93Å; Y533-H549 AromaticContact CZ-CD2 3.67Å; Y533-H549 AromaticContact CZ-CG 3.61Å; Y533-H549 AromaticContact CZ-ND1 4Å; H549-W580 VanDerWaalsContact O-CH2 3.29Å; H549-W580 WeakPolarHBondContact O-CH2 3.33Å
550	A	91.7	Very high	87.6	Confident	5 Å²	5	37.4 Å²	37.4	4%	0.041	19%	0.191	C	C	.	.			trans	-101.2	-63.4	-175.9	0	0	0	0	0	111.5	G532 F534 V556 K578 W580	G532-A550 PolarHBondContact O-N 3.35Å; F534-A550 HydrophobicContact CD1-CB 4Å; F534-A550 HydrophobicContact CE1-CB 4.25Å; A550-V556 HydrophobicContact CB-CG2 3.88Å; A550-K578 HydrophobicContact CB-CD 4.39Å; A550-K578 WeakPolarHBondContact O-CD 3.43Å; A550-K578 WeakPolarHBondContact O-CE 3.49Å; A550-K578 PolarHBondContact O-NZ 2.61Å; A550-W580 HydrophobicContact CB-CH2 4.39Å; A550-W580 HydrophobicContact CB-CZ2 3.72Å
551	D	87.9	Confident	88	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.			trans	-107.1	111.5	-176.2	-71.1	23.3	0	0	0	108	G532 D553 G554 V556 G572 L573 D574 K578	G532-D551 WeakPolarHBondContact CA-O 3.45Å; G532-D551 PolarHBondContact O-N 3.06Å; D551-D553 PolarHBondContact O-N 3.14Å; D551-G554 PolarHBondContact O-N 2.79Å; D551-V556 HydrophobicContact CB-CG2 4.38Å; D551-G572 WeakPolarHBondContact OD2-CA 3.27Å; D551-G572 PolarHBondContact OD2-N 3.34Å; D551-L573 PolarHBondContact OD2-N 3.42Å; D551-L573 VanDerWaalsContact OD2-N 3.14Å; D551-D574 PolarHBondContact OD2-N 2.9Å; D551-K578 IonicContact OD1-NZ 3.85Å; D551-K578 PolarHBondContact OD1-NZ 3.11Å
552	I	73.8	Confident	88.5	Confident	122 Å²	122	34 Å²	34	63%	0.626	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-39.1	-165.5	-64.6	174.7	0	0	0	112.1
553	D	68.1	Low	88.4	Confident	156 Å²	156	34 Å²	34	83%	0.834	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	13.8	-177.7	-59.8	-61.9	0	0	0	112	D551	D551-D553 PolarHBondContact O-N 3.14Å
554	G	77.7	Confident	88.3	Confident	10 Å²	10	36.4 Å²	36.4	10%	0.103	20%	0.196	C	C	.	.	S	Bend	trans	-136.6	176.6	-160.8	0	0	0	0	0	116.6	G532 D551	G532-G554 WeakPolarHBondContact CA-O 2.99Å; G532-G554 PolarHBondContact N-O 3.19Å; G532-G554 VanDerWaalsContact N-O 3.11Å; D551-G554 PolarHBondContact O-N 2.79Å
555	A	91.3	Very high	88.2	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.025	19%	0.192	C	C	.	.			trans	-103	132.2	172.9	0	0	0	0	0	110.2	T511 D530 N557 G572 L573	T511-A555 HydrophobicContact CG2-CB 3.59Å; D530-A555 HydrophobicContact CB-CB 4.46Å; A555-N557 PolarHBondContact O-N 2.89Å; A555-N557 VanDerWaalsContact O-N 3.08Å; A555-G572 WeakPolarHBondContact O-CA 3.49Å; A555-L573 HydrophobicContact CB-CD1 4.04Å; A555-L573 HydrophobicContact CB-CG 4.21Å; A555-L573 PolarHBondContact O-N 3.39Å
556	V	94.3	Very high	88.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.			trans	-82.4	88.8	-180	-173.2	0	0	0	0	109.3	G528 S529 G532 A550 D551 I559	G528-V556 WeakPolarHBondContact CA-O 3.07Å; S529-V556 PolarHBondContact O-N 3Å; G532-V556 WeakPolarHBondContact O-CG2 3.36Å; A550-V556 HydrophobicContact CB-CG2 3.88Å; D551-V556 HydrophobicContact CB-CG2 4.38Å; V556-I559 HydrophobicContact CG1-CD1 4.18Å; V556-I559 HydrophobicContact CG1-CG1 3.95Å
557	N	92.9	Very high	88.4	Confident	24 Å²	24	34.2 Å²	34.2	13%	0.128	19%	0.186	C	C	.	.			trans	-68.8	-41.2	-173.9	-65.3	-32.4	0	0	0	113	T511 A555 A571	T511-N557 WeakPolarHBondContact CB-OD1 3.04Å; T511-N557 PolarHBondContact OG1-OD1 2.84Å; A555-N557 PolarHBondContact O-N 2.89Å; A555-N557 VanDerWaalsContact O-N 3.08Å; N557-A571 PolarHBondContact N-O 2.72Å; N557-A571 VanDerWaalsContact N-O 3.17Å
558	V	94.9	Very high	88.7	Confident	26 Å²	26	31.1 Å²	31.1	16%	0.158	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.7	-171.8	63.2	0	0	0	0	112.3	L189 S570 A571	L189-V558 HydrophobicContact CB-CG2 4.32Å; L189-V558 HydrophobicContact CD1-CG1 4.11Å; L189-V558 HydrophobicContact CG-CG1 3.97Å; V558-S570 WeakPolarHBondContact O-CA 3.47Å; V558-A571 HydrophobicContact CG1-CB 3.84Å; V558-A571 WeakPolarHBondContact CG1-O 3.43Å; V558-A571 PolarHBondContact N-O 3.15Å; V558-A571 PolarHBondContact O-N 2.82Å
559	I	96.2	Very high	88.9	Confident	16 Å²	16	30.9 Å²	30.9	8%	0.082	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.4	169.8	-57	177.3	0	0	0	108.2	V526 S527 G528 F534 V556 L568 A569	V526-I559 HydrophobicContact CG1-CD1 3.94Å; V526-I559 HydrophobicContact CG1-CG2 3.98Å; S527-I559 VanDerWaalsContact C-CD1 3.5Å; G528-I559 VanDerWaalsContact N-CD1 3.27Å; F534-I559 HydrophobicContact CB-CD1 3.28Å; F534-I559 HydrophobicContact CD2-CD1 3.88Å; F534-I559 HydrophobicContact CG-CD1 3.73Å; V556-I559 HydrophobicContact CG1-CD1 4.18Å; V556-I559 HydrophobicContact CG1-CG1 3.95Å; I559-L568 HydrophobicContact CG2-CD2 4.26Å; I559-A569 CarbonylContact C-O 3.6Å; I559-A569 VanDerWaalsContact CA-O 3.32Å; I559-A569 WeakPolarHBondContact CA-O 3.38Å
560	E	95.9	Very high	89.2	Confident	33 Å²	33	27.3 Å²	27.3	15%	0.154	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.4	175.2	-159.2	-163.2	-167.4	0	0	111.2	L189 N190 F191 L568 A569	L189-E560 HydrophobicContact CB-CB 4.47Å; N190-E560 VanDerWaalsContact C-OE2 3.22Å; N190-E560 VanDerWaalsContact CA-CD 3.46Å; N190-E560 VanDerWaalsContact CA-OE1 3.29Å; N190-E560 WeakPolarHBondContact CA-OE1 3.32Å; N190-E560 WeakPolarHBondContact CA-OE2 3.3Å; N190-E560 PolarHBondContact ND2-OE1 3.47Å; F191-E560 HydrophobicContact CD2-CG 4.2Å; F191-E560 WeakPolarHBondContact CD2-OE2 3.38Å; F191-E560 PolarHBondContact N-OE1 3.28Å; F191-E560 PolarHBondContact N-OE2 2.89Å; E560-L568 CarbonylContact O-C 3.47Å; E560-L568 WeakPolarHBondContact O-CA 3.33Å; E560-A569 PolarHBondContact N-O 3.1Å; E560-A569 PolarHBondContact O-N 3.1Å
561	S	94.2	Very high	89.3	Confident	36 Å²	36	27 Å²	27	25%	0.252	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134	171	57.1	0	0	0	0	111.4
562	H	92.9	Very high	89.6	Confident	5 Å²	5	27 Å²	27	2%	0.023	15%	0.154	C	C	.	.			trans	-57.3	134.6	165.4	-176.6	-76.7	0	0	0	109	Q164 F191 G195 W212 T564 L565 V567	Q164-H562 PolarHBondContact NE2-O 3.08Å; F191-H562 HydrophobicContact CD2-CB 4.34Å; F191-H562 AromaticContact CE1-CD2 3.92Å; F191-H562 HydrophobicContact CE2-CB 3.97Å; F191-H562 HydrophobicContact CZ-CB 4.09Å; G195-H562 VanDerWaalsContact CA-NE2 3.32Å; G195-H562 WeakPolarHBondContact CA-NE2 3.32Å; G195-H562 PolarHBondContact O-CD2 3.22Å; G195-H562 VanDerWaalsContact O-CD2 3.32Å; G195-H562 PolarHBondContact O-NE2 3.45Å; G195-H562 VanDerWaalsContact O-NE2 3.13Å; W212-H562 AromaticContact CZ2-CD2 3.6Å; W212-H562 AromaticContact CZ2-NE2 3.76Å; W212-H562 AromaticContact NE1-CD2 3.95Å; H562-T564 PolarHBondContact CE1-OG1 2.81Å; H562-T564 PolarHBondContact ND1-N 2.79Å; H562-T564 PolarHBondContact O-N 3.04Å; H562-T564 VanDerWaalsContact O-N 3.07Å; H562-L565 HydrophobicContact CB-CB 4.31Å; H562-L565 VanDerWaalsContact CE1-CD1 3.47Å; H562-L565 WeakPolarHBondContact CE1-CD1 3.19Å; H562-L565 VanDerWaalsContact CE1-CG 3.42Å; H562-L565 WeakPolarHBondContact CE1-CG 3.49Å; H562-L565 VanDerWaalsContact ND1-CB 3.34Å; H562-L565 WeakPolarHBondContact ND1-CB 3.46Å; H562-L565 PolarHBondContact ND1-N 2.56Å; H562-L565 VanDerWaalsContact ND1-N 3.13Å; H562-V567 HydrophobicContact CB-CB 3.77Å; H562-V567 HydrophobicContact CB-CG1 4.26Å; H562-V567 PolarHBondContact N-O 2.73Å
563	P	88.8	Confident	90.5	Very high	55 Å²	55	24.5 Å²	24.5	36%	0.357	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.3	-169	19.5	-33.3	0	0	0	113.4	Q164	Q164-P563 PolarHBondContact NE2-O 3.15Å; Q164-P563 VanDerWaalsContact NE2-O 3.14Å
564	T	78.1	Confident	91.6	Very high	57 Å²	57	18.9 Å²	18.9	35%	0.35	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135	14.5	-170.8	59.5	0	0	0	0	115.3	Q160 H562	Q160-T564 VanDerWaalsContact CD-O 3.3Å; Q160-T564 WeakPolarHBondContact CG-O 3.5Å; Q160-T564 PolarHBondContact NE2-O 2.65Å; Q160-T564 PolarHBondContact NE2-OG1 3.08Å; H562-T564 PolarHBondContact CE1-OG1 2.81Å; H562-T564 PolarHBondContact ND1-N 2.79Å; H562-T564 PolarHBondContact O-N 3.04Å; H562-T564 VanDerWaalsContact O-N 3.07Å
565	L	86.5	Confident	92.4	Very high	8 Å²	8	25 Å²	25	4%	0.042	13%	0.133	C	C	.	.	S	Bend	trans	-133.2	157.9	-177.5	-68.2	178.2	0	0	0	110.6	Q164 W212 H562 V567 F620 F621	Q164-L565 WeakPolarHBondContact CG-O 3.35Å; Q164-L565 PolarHBondContact NE2-O 3.46Å; W212-L565 HydrophobicContact CH2-CD1 4.38Å; W212-L565 HydrophobicContact CZ2-CD1 4.29Å; H562-L565 HydrophobicContact CB-CB 4.31Å; H562-L565 VanDerWaalsContact CE1-CD1 3.47Å; H562-L565 WeakPolarHBondContact CE1-CD1 3.19Å; H562-L565 VanDerWaalsContact CE1-CG 3.42Å; H562-L565 WeakPolarHBondContact CE1-CG 3.49Å; H562-L565 VanDerWaalsContact ND1-CB 3.34Å; H562-L565 WeakPolarHBondContact ND1-CB 3.46Å; H562-L565 PolarHBondContact ND1-N 2.56Å; H562-L565 VanDerWaalsContact ND1-N 3.13Å; L565-V567 HydrophobicContact CB-CB 4.41Å; L565-V567 HydrophobicContact CB-CG2 3.99Å; L565-V567 PolarHBondContact O-N 3.01Å; L565-F620 HydrophobicContact CD2-CB 3.93Å; L565-F620 HydrophobicContact CD2-CD1 3.35Å; L565-F620 HydrophobicContact CD2-CE1 4.06Å; L565-F620 HydrophobicContact CD2-CG 3.85Å; L565-F621 HydrophobicContact CD1-CE1 3.85Å; L565-F621 HydrophobicContact CD1-CZ 4.14Å
566	P	86.5	Confident	92.6	Very high	9 Å²	9	25 Å²	25	6%	0.058	13%	0.132	C	C	.	.	S	Bend	trans	-72.1	53.9	173.8	33.9	-40.1	0	0	0	112	V163 A169 P582	V163-P566 HydrophobicContact CG1-CB 4.48Å; V163-P566 HydrophobicContact CG1-CG 3.96Å; A169-P566 HydrophobicContact CB-CB 3.77Å; P566-P582 HydrophobicContact CB-CG 4.25Å; P566-P582 HydrophobicContact CG-CG 4Å; P566-P582 VanDerWaalsContact O-CD 3.27Å; P566-P582 WeakPolarHBondContact O-CD 3.45Å
567	V	91.4	Very high	92.7	Very high	7 Å²	7	25 Å²	25	4%	0.042	13%	0.132	C	C	.	.			trans	-128.9	135.3	-172.9	176	0	0	0	0	109.4	W212 H562 L565 I579 W580 T581	W212-V567 HydrophobicContact CH2-CG1 4.38Å; W212-V567 HydrophobicContact CH2-CG2 4.13Å; H562-V567 HydrophobicContact CB-CB 3.77Å; H562-V567 HydrophobicContact CB-CG1 4.26Å; H562-V567 PolarHBondContact N-O 2.73Å; L565-V567 HydrophobicContact CB-CB 4.41Å; L565-V567 HydrophobicContact CB-CG2 3.99Å; L565-V567 PolarHBondContact O-N 3.01Å; V567-I579 HydrophobicContact CG1-CG2 3.88Å; V567-W580 WeakPolarHBondContact CA-O 3.44Å; V567-T581 HydrophobicContact CG1-CG2 4.18Å; V567-T581 HydrophobicContact CG2-CG2 3.87Å
568	L	95.5	Very high	92.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.2	169.6	-66.8	175.6	0	0	0	110	L173 F518 V526 F534 L536 I559 E560 W580	L173-L568 HydrophobicContact CD1-CD1 3.99Å; F518-L568 HydrophobicContact CD2-CD2 3.37Å; F518-L568 HydrophobicContact CD2-CG 4.15Å; F518-L568 HydrophobicContact CE2-CD2 3.65Å; F518-L568 HydrophobicContact CE2-CG 4.04Å; F518-L568 HydrophobicContact CG-CD2 4.19Å; V526-L568 HydrophobicContact CG1-CD1 4.27Å; F534-L568 HydrophobicContact CE2-CD1 3.69Å; F534-L568 HydrophobicContact CZ-CD1 4.44Å; L536-L568 HydrophobicContact CD2-CD1 4.03Å; I559-L568 HydrophobicContact CG2-CD2 4.26Å; E560-L568 CarbonylContact O-C 3.47Å; E560-L568 WeakPolarHBondContact O-CA 3.33Å; L568-W580 HydrophobicContact CB-CB 4.25Å; L568-W580 PolarHBondContact N-O 2.65Å; L568-W580 PolarHBondContact O-N 2.9Å
569	A	96.8	Very high	92.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.9	164	0	0	0	0	0	109.1	L189 F191 I198 I559 E560 K578 I579	L189-A569 HydrophobicContact CD1-CB 3.9Å; F191-A569 HydrophobicContact CE2-CB 3.96Å; F191-A569 HydrophobicContact CZ-CB 3.99Å; I198-A569 HydrophobicContact CD1-CB 3.45Å; I198-A569 VanDerWaalsContact CD1-CB 3.45Å; I559-A569 CarbonylContact C-O 3.6Å; I559-A569 VanDerWaalsContact CA-O 3.32Å; I559-A569 WeakPolarHBondContact CA-O 3.38Å; E560-A569 PolarHBondContact N-O 3.1Å; E560-A569 PolarHBondContact O-N 3.1Å; A569-K578 CarbonylContact C-O 3.53Å; A569-K578 WeakPolarHBondContact CA-O 3.41Å; A569-I579 HydrophobicContact CB-CD1 3.56Å
570	S	96.9	Very high	92.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.3	174.9	69.2	0	0	0	0	111.8	V558 F577 K578 W580	V558-S570 WeakPolarHBondContact O-CA 3.47Å; S570-F577 WeakPolarHBondContact O-CA 3.37Å; S570-K578 PolarHBondContact N-O 3.34Å; S570-K578 PolarHBondContact O-N 3.4Å; S570-W580 PolarHBondContact OG-NE1 3.39Å
571	A	95.8	Very high	92.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	166.6	171.4	0	0	0	0	0	111.2	V186 L189 N557 V558 F577	V186-A571 HydrophobicContact CB-CB 3.87Å; V186-A571 HydrophobicContact CG1-CB 3.74Å; V186-A571 WeakPolarHBondContact O-CB 3.23Å; L189-A571 HydrophobicContact CD1-CB 3.83Å; L189-A571 HydrophobicContact CD2-CB 4.39Å; L189-A571 HydrophobicContact CG-CB 4.13Å; N557-A571 PolarHBondContact N-O 2.72Å; N557-A571 VanDerWaalsContact N-O 3.17Å; V558-A571 HydrophobicContact CG1-CB 3.84Å; V558-A571 WeakPolarHBondContact CG1-O 3.43Å; V558-A571 PolarHBondContact N-O 3.15Å; V558-A571 PolarHBondContact O-N 2.82Å; A571-F577 HydrophobicContact CB-CB 3.93Å
572	G	93.7	Very high	91.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-166	-124.8	-169.5	0	0	0	0	0	113.4	C185 V186 D551 A555	C185-G572 WeakPolarHBondContact CB-O 3.29Å; V186-G572 PolarHBondContact N-O 3.41Å; V186-G572 VanDerWaalsContact N-O 3.07Å; V186-G572 PolarHBondContact O-N 2.73Å; D551-G572 WeakPolarHBondContact OD2-CA 3.27Å; D551-G572 PolarHBondContact OD2-N 3.34Å; A555-G572 WeakPolarHBondContact O-CA 3.49Å
573	L	92.2	Very high	90.9	Very high	69 Å²	69	24.6 Å²	24.6	36%	0.361	13%	0.127	S	C	.	.	S	Bend	trans	-83.9	-19.4	177.5	-60	-176.5	0	0	0	112.4	C185 D551 A555	C185-L573 HydrophobicContact CB-CD2 4.45Å; D551-L573 PolarHBondContact OD2-N 3.42Å; D551-L573 VanDerWaalsContact OD2-N 3.14Å; A555-L573 HydrophobicContact CB-CD1 4.04Å; A555-L573 HydrophobicContact CB-CG 4.21Å; A555-L573 PolarHBondContact O-N 3.39Å
574	D	92	Very high	89.2	Confident	38 Å²	38	26.5 Å²	26.5	20%	0.203	14%	0.141	C	C	.	.	S	Bend	trans	-64.5	156.2	170	-73.1	2.3	0	0	0	111.2	V186 D551 D576 K578	V186-D574 PolarHBondContact N-O 3.39Å; D551-D574 PolarHBondContact OD2-N 2.9Å; D574-D576 WeakPolarHBondContact CB-OD1 3.18Å; D574-D576 PolarHBondContact O-N 2.69Å; D574-K578 IonicContact OD2-NZ 2.75Å; D574-K578 PolarHBondContact OD2-NZ 3.35Å
575	Y	94.1	Very high	87.6	Confident	139 Å²	139	27 Å²	27	55%	0.545	15%	0.145	S	C	.	.	S	Bend	trans	-90.4	23.4	-175.7	-58.1	-6.2	0	0	0	113	H182 G184	H182-Y575 PolarHBondContact N-O 2.92Å; G184-Y575 VanDerWaalsContact CA-CD1 3.42Å
576	D	94.6	Very high	85.1	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.016	18%	0.175	C	C	.	.	S	Bend	trans	-130.1	-175.3	-173.7	76.5	-20.7	0	0	0	111.6	K178 F179 E180 V186 D574 K578	K178-D576 WeakPolarHBondContact CE-OD2 3.44Å; K178-D576 HydrophobicContact CG-CB 4.37Å; K178-D576 WeakPolarHBondContact CG-OD2 3.37Å; F179-D576 WeakPolarHBondContact O-CA 3.36Å; E180-D576 HydrophobicContact CG-CB 4.23Å; V186-D576 WeakPolarHBondContact CB-O 3.46Å; V186-D576 WeakPolarHBondContact CG2-O 3.38Å; D574-D576 WeakPolarHBondContact CB-OD1 3.18Å; D574-D576 PolarHBondContact O-N 2.69Å; D576-K578 IonicContact OD1-NZ 3.87Å; D576-K578 PolarHBondContact OD1-NZ 3.02Å; D576-K578 WeakPolarHBondContact OD2-CE 3.39Å; D576-K578 WeakPolarHBondContact OD2-CG 3.41Å; D576-K578 IonicContact OD2-NZ 2.6Å; D576-K578 PolarHBondContact OD2-NZ 2.72Å
577	F	96.1	Very high	82.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.			trans	-137	156.1	154.1	67.7	-92.8	0	0	0	110	F179 L189 I198 T210 S570 A571 I579	F179-F577 HydrophobicContact CB-CD1 3.81Å; F179-F577 HydrophobicContact CB-CD2 4.1Å; F179-F577 HydrophobicContact CB-CE1 3.48Å; F179-F577 VanDerWaalsContact CB-CE1 3.48Å; F179-F577 HydrophobicContact CB-CE2 3.78Å; F179-F577 HydrophobicContact CB-CG 4.1Å; F179-F577 HydrophobicContact CB-CZ 3.45Å; F179-F577 VanDerWaalsContact CB-CZ 3.45Å; F179-F577 HydrophobicContact CD1-CZ 4.4Å; F179-F577 AromaticContact CD2-CD2 3.87Å; F179-F577 HydrophobicContact CD2-CD2 3.87Å; F179-F577 AromaticContact CD2-CE2 3.26Å; F179-F577 HydrophobicContact CD2-CE2 3.26Å; F179-F577 AromaticContact CD2-CZ 3.64Å; F179-F577 HydrophobicContact CD2-CZ 3.64Å; F179-F577 HydrophobicContact CE2-CE2 4.06Å; F179-F577 HydrophobicContact CG-CD2 4.36Å; F179-F577 HydrophobicContact CG-CE1 4.13Å; F179-F577 AromaticContact CG-CE2 3.7Å; F179-F577 HydrophobicContact CG-CE2 3.7Å; F179-F577 AromaticContact CG-CZ 3.55Å; F179-F577 HydrophobicContact CG-CZ 3.55Å; F179-F577 PolarHBondContact N-O 2.86Å; F179-F577 PolarHBondContact O-N 3.39Å; L189-F577 HydrophobicContact CD1-CB 4.26Å; L189-F577 HydrophobicContact CD2-CB 3.78Å; L189-F577 HydrophobicContact CD2-CD1 4.32Å; L189-F577 HydrophobicContact CD2-CG 3.98Å; I198-F577 HydrophobicContact CD1-CD2 4.37Å; I198-F577 HydrophobicContact CD1-CE2 4.34Å; I198-F577 HydrophobicContact CG2-CE1 4.41Å; I198-F577 HydrophobicContact CG2-CE2 3.61Å; I198-F577 HydrophobicContact CG2-CZ 3.52Å; T210-F577 HydrophobicContact CG2-CZ 4.16Å; S570-F577 WeakPolarHBondContact O-CA 3.37Å; A571-F577 HydrophobicContact CB-CB 3.93Å; F577-I579 HydrophobicContact CD2-CD1 4.09Å; F577-I579 HydrophobicContact CD2-CG1 4.32Å; F577-I579 HydrophobicContact CE2-CD1 4.02Å; F577-I579 HydrophobicContact CE2-CG1 4.12Å
578	K	95.5	Very high	79.7	Confident	9 Å²	9	44.5 Å²	44.5	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132	-167.1	-59.8	-179	-176.9	81.2	0	109.9	L175 A550 D551 A569 S570 D574 D576 W580	L175-K578 HydrophobicContact CD1-CB 3.77Å; L175-K578 HydrophobicContact CD1-CG 4.35Å; A550-K578 HydrophobicContact CB-CD 4.39Å; A550-K578 WeakPolarHBondContact O-CD 3.43Å; A550-K578 WeakPolarHBondContact O-CE 3.49Å; A550-K578 PolarHBondContact O-NZ 2.61Å; D551-K578 IonicContact OD1-NZ 3.85Å; D551-K578 PolarHBondContact OD1-NZ 3.11Å; A569-K578 CarbonylContact C-O 3.53Å; A569-K578 WeakPolarHBondContact CA-O 3.41Å; S570-K578 PolarHBondContact N-O 3.34Å; S570-K578 PolarHBondContact O-N 3.4Å; D574-K578 IonicContact OD2-NZ 2.75Å; D574-K578 PolarHBondContact OD2-NZ 3.35Å; D576-K578 IonicContact OD1-NZ 3.87Å; D576-K578 PolarHBondContact OD1-NZ 3.02Å; D576-K578 WeakPolarHBondContact OD2-CE 3.39Å; D576-K578 WeakPolarHBondContact OD2-CG 3.41Å; D576-K578 IonicContact OD2-NZ 2.6Å; D576-K578 PolarHBondContact OD2-NZ 2.72Å; K578-W580 HydrophobicContact CB-CZ2 3.99Å; K578-W580 HydrophobicContact CD-CZ2 4.26Å; K578-W580 PolarHBondContact O-NE1 2.82Å
579	I	95	Very high	76.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.5	-178.3	-63.5	-59.3	0	0	0	110.4	E176 N177 F179 F191 W212 V567 A569 F577 T581	E176-I579 PolarHBondContact N-O 3.26Å; N177-I579 HydrophobicContact CB-CB 4.46Å; N177-I579 PolarHBondContact N-O 2.95Å; N177-I579 PolarHBondContact O-N 3.02Å; F179-I579 HydrophobicContact CD2-CG1 3.97Å; F179-I579 HydrophobicContact CE2-CB 4.38Å; F179-I579 HydrophobicContact CE2-CG1 3.62Å; F191-I579 HydrophobicContact CZ-CD1 4.4Å; W212-I579 HydrophobicContact CB-CG1 4.36Å; W212-I579 HydrophobicContact CE3-CG2 4.04Å; W212-I579 HydrophobicContact CZ3-CG2 4.36Å; V567-I579 HydrophobicContact CG1-CG2 3.88Å; A569-I579 HydrophobicContact CB-CD1 3.56Å; F577-I579 HydrophobicContact CD2-CD1 4.09Å; F577-I579 HydrophobicContact CD2-CG1 4.32Å; F577-I579 HydrophobicContact CE2-CD1 4.02Å; F577-I579 HydrophobicContact CE2-CG1 4.12Å; I579-T581 HydrophobicContact CG2-CG2 3.94Å
580	W	93.9	Very high	73.2	Confident	6 Å²	6	61 Å²	61	2%	0.023	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.4	-173.4	-50.7	83.7	0	0	0	110.8	H174 L175 F534 L548 H549 A550 V567 L568 S570 K578	H174-W580 VanDerWaalsContact O-CA 3.23Å; H174-W580 WeakPolarHBondContact O-CA 3.42Å; L175-W580 HydrophobicContact CB-CE3 4.05Å; L175-W580 HydrophobicContact CB-CH2 3.87Å; L175-W580 HydrophobicContact CB-CZ3 3.6Å; L175-W580 HydrophobicContact CD1-CD2 4.48Å; L175-W580 HydrophobicContact CD1-CH2 4.08Å; L175-W580 HydrophobicContact CD1-CZ2 3.96Å; L175-W580 HydrophobicContact CD1-CZ3 4.44Å; L175-W580 HydrophobicContact CG-CH2 4.41Å; L175-W580 VanDerWaalsContact N-CE3 3.35Å; F534-W580 AromaticContact CE1-CD2 3.72Å; F534-W580 HydrophobicContact CE1-CD2 3.72Å; F534-W580 AromaticContact CE1-CE2 3.48Å; F534-W580 VanDerWaalsContact CE1-CE2 3.48Å; F534-W580 HydrophobicContact CE1-CE3 4.14Å; F534-W580 HydrophobicContact CE1-CG 4.22Å; F534-W580 HydrophobicContact CE1-CH2 4.24Å; F534-W580 AromaticContact CE1-CZ2 3.78Å; F534-W580 HydrophobicContact CE1-CZ2 3.78Å; F534-W580 HydrophobicContact CE1-CZ3 4.38Å; F534-W580 AromaticContact CE1-NE1 3.7Å; F534-W580 HydrophobicContact CZ-CB 4.48Å; F534-W580 AromaticContact CZ-CD1 3.89Å; F534-W580 AromaticContact CZ-CD2 3.64Å; F534-W580 HydrophobicContact CZ-CD2 3.64Å; F534-W580 AromaticContact CZ-CE2 3.86Å; F534-W580 HydrophobicContact CZ-CE3 4.1Å; F534-W580 AromaticContact CZ-CG 3.75Å; F534-W580 HydrophobicContact CZ-CG 3.75Å; F534-W580 AromaticContact CZ-NE1 3.92Å; L548-W580 HydrophobicContact CB-CE3 4.2Å; L548-W580 HydrophobicContact CB-CH2 4.45Å; L548-W580 HydrophobicContact CB-CZ3 3.96Å; L548-W580 HydrophobicContact CD1-CD2 4.46Å; L548-W580 HydrophobicContact CD1-CE3 3.83Å; L548-W580 HydrophobicContact CD1-CZ3 4.36Å; L548-W580 HydrophobicContact CD2-CE3 4.04Å; L548-W580 HydrophobicContact CD2-CZ3 3.85Å; L548-W580 HydrophobicContact CG-CE3 4.23Å; L548-W580 HydrophobicContact CG-CZ3 4.27Å; H549-W580 VanDerWaalsContact O-CH2 3.29Å; H549-W580 WeakPolarHBondContact O-CH2 3.33Å; A550-W580 HydrophobicContact CB-CH2 4.39Å; A550-W580 HydrophobicContact CB-CZ2 3.72Å; V567-W580 WeakPolarHBondContact CA-O 3.44Å; L568-W580 HydrophobicContact CB-CB 4.25Å; L568-W580 PolarHBondContact N-O 2.65Å; L568-W580 PolarHBondContact O-N 2.9Å; S570-W580 PolarHBondContact OG-NE1 3.39Å; K578-W580 HydrophobicContact CB-CZ2 3.99Å; K578-W580 HydrophobicContact CD-CZ2 4.26Å; K578-W580 PolarHBondContact O-NE1 2.82Å
581	T	89.4	Confident	69.9	Low	2 Å²	2	66 Å²	66	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	166.1	-176.5	87	0	0	0	0	110.9	L173 H174 E176 V567 I579 L583	L173-T581 WeakPolarHBondContact CA-O 3.41Å; H174-T581 PolarHBondContact CE1-O 3.11Å; H174-T581 PolarHBondContact N-O 3.32Å; H174-T581 PolarHBondContact ND1-O 3.01Å; H174-T581 PolarHBondContact O-N 2.88Å; E176-T581 HydrophobicContact CB-CG2 4.02Å; E176-T581 WeakPolarHBondContact OE2-CB 3.47Å; E176-T581 WeakPolarHBondContact OE2-CG2 3.32Å; E176-T581 PolarHBondContact OE2-OG1 3.03Å; V567-T581 HydrophobicContact CG1-CG2 4.18Å; V567-T581 HydrophobicContact CG2-CG2 3.87Å; I579-T581 HydrophobicContact CG2-CG2 3.94Å; T581-L583 VanDerWaalsContact C-N 3.28Å; T581-L583 PolarHBondContact OG1-N 2.91Å
582	P	81.8	Confident	66.7	Low	12 Å²	12	75.7 Å²	75.7	8%	0.078	39%	0.39	C	S	.	.	S	Bend	trans	-85.5	6.9	174.7	35.2	-37.8	0	0	0	113.7	W168 A169 R172 P566 C584	W168-P582 HydrophobicContact CZ3-CB 4.09Å; W168-P582 HydrophobicContact CZ3-CG 4.44Å; A169-P582 HydrophobicContact CB-CB 4.32Å; A169-P582 HydrophobicContact CB-CG 4.3Å; R172-P582 HydrophobicContact CB-CB 3.7Å; P566-P582 HydrophobicContact CB-CG 4.25Å; P566-P582 HydrophobicContact CG-CG 4Å; P566-P582 VanDerWaalsContact O-CD 3.27Å; P566-P582 WeakPolarHBondContact O-CD 3.45Å; P582-C584 PolarHBondContact O-N 3.31Å
583	L	73.9	Confident	63.8	Low	101 Å²	101	80 Å²	80	53%	0.529	42%	0.416	S	S	.	.			trans	-91.9	88.4	-172.5	-57	178.7	0	0	0	111.3	H174 T581	H174-L583 PolarHBondContact CE1-O 3.12Å; H174-L583 PolarHBondContact NE2-O 2.95Å; T581-L583 VanDerWaalsContact C-N 3.28Å; T581-L583 PolarHBondContact OG1-N 2.91Å
584	C	53.3	Low	60.9	Low	96 Å²	96	83 Å²	83	65%	0.649	43%	0.431	S	S	*	.			trans	-44.9	135.6	-175.8	-169	0	0	0	0	113.5	P582 L586	P582-C584 PolarHBondContact O-N 3.31Å; C584-L586 PolarHBondContact O-N 3.38Å
585	P	44.7	Very low	57.8	Low	67 Å²	67	88.3 Å²	88.3	44%	0.435	46%	0.46	S	S	.	.			trans	-66.9	123.6	177.9	-14	31.2	0	0	0	108.9	H174 F587	H174-P585 WeakPolarHBondContact NE2-CD 3.31Å; P585-F587 PolarHBondContact O-N 3.07Å
586	L	33.4	Very low	54.8	Low	131 Å²	131	89.8 Å²	89.8	69%	0.686	47%	0.472	S	S	*	.	S	Bend	trans	-72.1	6.3	-172.1	-72.3	170.6	0	0	0	114.9	C584	C584-L586 PolarHBondContact O-N 3.38Å
587	F	36.3	Very low	51.6	Low	173 Å²	173	96.8 Å²	96.8	76%	0.759	51%	0.508	S	S	*	.			trans	-141.7	80.5	-175.3	-56.7	-73.4	0	0	0	110.3	P585	P585-F587 PolarHBondContact O-N 3.07Å
588	A	29.9	Very low	48.2	Very low	88 Å²	88	106.5 Å²	106.5	73%	0.727	55%	0.55	S	S	*	*			trans	-140.6	32.4	179.9	0	0	0	0	0	112.7
589	E	27.8	Very low	45	Very low	172 Å²	172	116 Å²	116	80%	0.804	59%	0.588	S	S	*	*	S	Bend	trans	-145	132.2	168.5	-104.8	178.2	-156.8	0	0	108.4
590	Q	26.4	Very low	41.7	Very low	174 Å²	174	119.5 Å²	119.5	81%	0.813	62%	0.616	S	S	*	*			trans	65.5	103.3	172.1	-56.4	170.1	19.8	0	0	116.9
591	D	28.8	Very low	38.5	Very low	107 Å²	107	125.4 Å²	125.4	57%	0.572	66%	0.659	S	S	*	*				179.2	137.9	108.8	-114.3	17	0	0	0	114.3	T593	D591-T593 HydrophobicContact CB-CG2 4.23Å; D591-T593 WeakPolarHBondContact CB-OG1 3.3Å; D591-T593 PolarHBondContact O-N 3.31Å; D591-T593 WeakPolarHBondContact OD2-CB 3.44Å; D591-T593 WeakPolarHBondContact OD2-CG2 3.44Å; D591-T593 PolarHBondContact OD2-OG1 3.19Å
592	E	28.3	Very low	35.6	Very low	203 Å²	203	130.8 Å²	130.8	95%	0.949	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	16.1	168.8	-63.2	-174.6	123.7	0	0	113
593	T	32.2	Very low	33.3	Very low	89 Å²	89	139.5 Å²	139.5	55%	0.546	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.7	1.8	-165.1	68.5	0	0	0	0	114.8	D591 N595	D591-T593 HydrophobicContact CB-CG2 4.23Å; D591-T593 WeakPolarHBondContact CB-OG1 3.3Å; D591-T593 PolarHBondContact O-N 3.31Å; D591-T593 WeakPolarHBondContact OD2-CB 3.44Å; D591-T593 WeakPolarHBondContact OD2-CG2 3.44Å; D591-T593 PolarHBondContact OD2-OG1 3.19Å; T593-N595 PolarHBondContact O-N 3.24Å
594	I	31.5	Very low	31.7	Very low	132 Å²	132	138 Å²	138	68%	0.677	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	56.3	-168.5	-40.1	-177.6	0	0	0	113.3
595	N	27.6	Very low	30.8	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-8.6	167.4	-91.9	-54.4	0	0	0	113.8	T593	T593-N595 PolarHBondContact O-N 3.24Å
596	H	30.2	Very low	30.2	Very low	171 Å²	171	138.9 Å²	138.9	79%	0.792	72%	0.72	S	S	*	*	S	Bend	trans	-108.8	-3.6	-172.9	-80	-71.6	0	0	0	116.6
597	L	27.3	Very low	30.2	Very low	150 Å²	150	135 Å²	135	79%	0.785	70%	0.7	S	S	*	*			trans	-104.8	45.8	-174.7	-69.2	176.4	0	0	0	115.1	Y599	L597-Y599 VanDerWaalsContact C-N 3.32Å; L597-Y599 PolarHBondContact O-N 3.23Å
598	K	25.2	Very low	30.3	Very low	203 Å²	203	129.7 Å²	129.7	88%	0.883	68%	0.682	S	S	*	*			trans	-74.3	79.8	160	-80.6	-176.9	173.4	173.9	0	110.5
599	Y	27.5	Very low	30.5	Very low	209 Å²	209	128.7 Å²	128.7	82%	0.82	66%	0.664	S	S	*	*			trans	-138.3	111	177.6	-101.4	-77.2	0	0	0	116.7	L597	L597-Y599 VanDerWaalsContact C-N 3.32Å; L597-Y599 PolarHBondContact O-N 3.23Å
600	A	26.1	Very low	30.9	Very low	73 Å²	73	129.1 Å²	129.1	60%	0.603	66%	0.658	S	S	*	*			trans	37.7	111.5	148	0	0	0	0	0	120.1	T602	A600-T602 PolarHBondContact O-N 3.32Å
601	S	27	Very low	31.5	Very low	130 Å²	130	125.2 Å²	125.2	91%	0.909	64%	0.642	S	S	*	*	S	Bend	trans	-72.9	52.1	172.1	61.6	0	0	0	0	114.2
602	T	29.7	Very low	31.8	Very low	116 Å²	116	122.3 Å²	122.3	71%	0.712	62%	0.623	S	S	*	*			trans	-130.9	7.6	-169.8	60	0	0	0	0	116	A600	A600-T602 PolarHBondContact O-N 3.32Å
603	K	33.2	Very low	32.2	Very low	195 Å²	195	118.1 Å²	118.1	85%	0.848	60%	0.603	S	S	*	*			trans	-136.1	120.7	170.8	-74.2	-174.9	177.1	177.2	0	111.8	H605	K603-H605 PolarHBondContact O-N 2.95Å
604	V	39.6	Very low	32.8	Very low	70 Å²	70	115.5 Å²	115.5	42%	0.424	59%	0.589	S	S	.	*			trans	-60.3	127.7	162.9	178.8	0	0	0	0	107.9	S606 V608 L609	V604-S606 PolarHBondContact O-N 3.1Å; V604-V608 HydrophobicContact CG1-CB 4.11Å; V604-V608 HydrophobicContact CG1-CG1 3.91Å; V604-L609 HydrophobicContact CG1-CD2 4.5Å; V604-L609 HydrophobicContact CG1-CG 4.16Å
605	H	34	Very low	33.3	Very low	106 Å²	106	119.8 Å²	119.8	49%	0.491	60%	0.596	S	S	.	*			trans	-56.6	139.7	-175.6	-146.5	-91.7	0	0	0	111.3	K603 D607 V608 L609	K603-H605 PolarHBondContact O-N 2.95Å; H605-D607 IonicContact CE1-OD2 3.63Å; H605-D607 PolarHBondContact CE1-OD2 3.45Å; H605-D607 IonicContact ND1-OD2 3.85Å; H605-D607 PolarHBondContact ND1-OD2 2.97Å; H605-D607 PolarHBondContact O-N 2.92Å; H605-V608 HydrophobicContact CB-CB 4.37Å; H605-V608 HydrophobicContact CB-CG2 4.04Å; H605-V608 PolarHBondContact O-N 3.42Å; H605-V608 VanDerWaalsContact O-N 3.08Å; H605-L609 PolarHBondContact O-N 2.8Å
606	S	32.3	Very low	34.1	Very low	75 Å²	75	116 Å²	116	52%	0.524	58%	0.576	S	S	.	*	H	α-helix	trans	-52.2	-27.9	176.7	37.9	0	0	0	0	113.2	V604 L609 R610	V604-S606 PolarHBondContact O-N 3.1Å; S606-L609 WeakPolarHBondContact O-CB 3.25Å; S606-L609 PolarHBondContact O-N 2.78Å; S606-R610 WeakPolarHBondContact O-CG 3.45Å; S606-R610 PolarHBondContact O-N 2.88Å
607	D	34.5	Very low	34.7	Very low	48 Å²	48	108.4 Å²	108.4	26%	0.257	54%	0.543	S	S	.	.	H	α-helix	trans	-93.7	-24.1	-173.8	-53.5	-82.9	0	0	0	112.1	H605 L609 R610 L611	H605-D607 IonicContact CE1-OD2 3.63Å; H605-D607 PolarHBondContact CE1-OD2 3.45Å; H605-D607 IonicContact ND1-OD2 3.85Å; H605-D607 PolarHBondContact ND1-OD2 2.97Å; H605-D607 PolarHBondContact O-N 2.92Å; D607-L609 VanDerWaalsContact C-N 3.3Å; D607-R610 PolarHBondContact O-N 3.25Å; D607-R610 WeakPolarHBondContact OD1-CD 3.34Å; D607-R610 IonicContact OD1-CZ 2.66Å; D607-R610 IonicContact OD1-NE 3.82Å; D607-R610 IonicContact OD1-NH1 3.88Å; D607-R610 PolarHBondContact OD1-NH1 2.82Å; D607-L611 WeakPolarHBondContact O-CB 3.43Å; D607-L611 WeakPolarHBondContact O-CG 3.49Å; D607-L611 PolarHBondContact O-N 2.93Å
608	V	36.9	Very low	35.3	Very low	63 Å²	63	106.2 Å²	106.2	38%	0.382	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-36.8	160.3	175	0	0	0	0	109.8	V604 H605 L611 R612	V604-V608 HydrophobicContact CG1-CB 4.11Å; V604-V608 HydrophobicContact CG1-CG1 3.91Å; H605-V608 HydrophobicContact CB-CB 4.37Å; H605-V608 HydrophobicContact CB-CG2 4.04Å; H605-V608 PolarHBondContact O-N 3.42Å; H605-V608 VanDerWaalsContact O-N 3.08Å; V608-L611 PolarHBondContact O-N 3.16Å; V608-R612 VanDerWaalsContact O-CG 3.3Å; V608-R612 WeakPolarHBondContact O-CG 3.43Å; V608-R612 PolarHBondContact O-N 3.33Å
609	L	34.1	Very low	36.1	Very low	66 Å²	66	98.9 Å²	98.9	35%	0.346	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-43.3	170.7	-70.1	165.5	0	0	0	112.1	V604 H605 S606 D607 L611 R612 H613	V604-L609 HydrophobicContact CG1-CD2 4.5Å; V604-L609 HydrophobicContact CG1-CG 4.16Å; H605-L609 PolarHBondContact O-N 2.8Å; S606-L609 WeakPolarHBondContact O-CB 3.25Å; S606-L609 PolarHBondContact O-N 2.78Å; D607-L609 VanDerWaalsContact C-N 3.3Å; L609-L611 VanDerWaalsContact C-N 3.32Å; L609-L611 PolarHBondContact O-N 3.04Å; L609-R612 CarbonylContact O-C 3.54Å; L609-R612 WeakPolarHBondContact O-CB 3.17Å; L609-R612 PolarHBondContact O-N 2.96Å; L609-R612 VanDerWaalsContact O-N 3.15Å; L609-H613 PolarHBondContact O-CD2 3.18Å; L609-H613 PolarHBondContact O-N 3.4Å
610	R	37.6	Very low	36.6	Very low	182 Å²	182	90.7 Å²	90.7	69%	0.687	47%	0.473	S	S	*	.	H	α-helix	trans	-58.7	-41.8	171.9	-78	165.2	150.4	173.6	-5.6	112.3	S606 D607 H613 S614	S606-R610 WeakPolarHBondContact O-CG 3.45Å; S606-R610 PolarHBondContact O-N 2.88Å; D607-R610 PolarHBondContact O-N 3.25Å; D607-R610 WeakPolarHBondContact OD1-CD 3.34Å; D607-R610 IonicContact OD1-CZ 2.66Å; D607-R610 IonicContact OD1-NE 3.82Å; D607-R610 IonicContact OD1-NH1 3.88Å; D607-R610 PolarHBondContact OD1-NH1 2.82Å; R610-H613 PolarHBondContact O-N 3.15Å; R610-S614 PolarHBondContact O-N 3.03Å; R610-S614 VanDerWaalsContact O-N 3.08Å
611	L	38.7	Very low	37.4	Very low	91 Å²	91	89.7 Å²	89.7	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-58.4	-51.4	172.1	-82.8	166.5	0	0	0	110.4	D607 V608 L609 H613 S614 A617	D607-L611 WeakPolarHBondContact O-CB 3.43Å; D607-L611 WeakPolarHBondContact O-CG 3.49Å; D607-L611 PolarHBondContact O-N 2.93Å; V608-L611 PolarHBondContact O-N 3.16Å; L609-L611 VanDerWaalsContact C-N 3.32Å; L609-L611 PolarHBondContact O-N 3.04Å; L611-H613 PolarHBondContact O-N 3.38Å; L611-H613 VanDerWaalsContact O-N 3.16Å; L611-S614 WeakPolarHBondContact O-CB 3.49Å; L611-S614 PolarHBondContact O-N 2.85Å; L611-S614 PolarHBondContact O-OG 3.06Å; L611-A617 WeakPolarHBondContact O-CB 3.27Å
612	R	34.1	Very low	38	Very low	47 Å²	47	87 Å²	87	18%	0.177	44%	0.435	C	S	.	.	H	α-helix	trans	-55.4	-29.8	175	-71	169.5	-177.6	-172.2	2.8	113.9	I213 V608 L609	I213-R612 PolarHBondContact O-NH2 3.33Å; V608-R612 VanDerWaalsContact O-CG 3.3Å; V608-R612 WeakPolarHBondContact O-CG 3.43Å; V608-R612 PolarHBondContact O-N 3.33Å; L609-R612 CarbonylContact O-C 3.54Å; L609-R612 WeakPolarHBondContact O-CB 3.17Å; L609-R612 PolarHBondContact O-N 2.96Å; L609-R612 VanDerWaalsContact O-N 3.15Å
613	H	36.9	Very low	38.6	Very low	114 Å²	114	86.8 Å²	86.8	53%	0.528	43%	0.429	S	S	.	.	H	α-helix	trans	-85.4	-13.2	174.9	-71.8	-67.6	0	0	0	115	L609 R610 L611 K618	L609-H613 PolarHBondContact O-CD2 3.18Å; L609-H613 PolarHBondContact O-N 3.4Å; R610-H613 PolarHBondContact O-N 3.15Å; L611-H613 PolarHBondContact O-N 3.38Å; L611-H613 VanDerWaalsContact O-N 3.16Å; H613-K618 VanDerWaalsContact O-CE 3.28Å; H613-K618 WeakPolarHBondContact O-CE 3.17Å; H613-K618 PolarHBondContact O-NZ 3.15Å
614	S	45.2	Very low	39	Very low	35 Å²	35	80.2 Å²	80.2	25%	0.245	40%	0.402	C	S	.	.	S	Bend	trans	-64	158.7	-179.1	76.3	0	0	0	0	113.3	R610 L611 L616 A617 K618	R610-S614 PolarHBondContact O-N 3.03Å; R610-S614 VanDerWaalsContact O-N 3.08Å; L611-S614 WeakPolarHBondContact O-CB 3.49Å; L611-S614 PolarHBondContact O-N 2.85Å; L611-S614 PolarHBondContact O-OG 3.06Å; S614-L616 PolarHBondContact O-N 3.1Å; S614-L616 PolarHBondContact OG-N 3.19Å; S614-A617 PolarHBondContact OG-N 2.86Å; S614-A617 VanDerWaalsContact OG-N 3.08Å; S614-K618 WeakPolarHBondContact O-CB 3.46Å; S614-K618 VanDerWaalsContact O-CG 3.31Å; S614-K618 WeakPolarHBondContact O-CG 3.18Å; S614-K618 PolarHBondContact O-N 2.81Å; S614-K618 VanDerWaalsContact O-N 3.08Å
615	R	41.2	Very low	38.7	Very low	221 Å²	221	79.3 Å²	79.3	83%	0.834	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.3	172.8	-69.6	-175.4	178.6	-175.3	-0.8	112.4	A619	R615-A619 PolarHBondContact O-N 3.3Å
616	L	44.3	Very low	38.9	Very low	71 Å²	71	78.4 Å²	78.4	37%	0.372	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-52.2	-179.4	-164.3	83.1	0	0	0	111.2	L62 S614 K618 A619 F620	L62-L616 HydrophobicContact CD2-CD1 4.41Å; S614-L616 PolarHBondContact O-N 3.1Å; S614-L616 PolarHBondContact OG-N 3.19Å; L616-K618 VanDerWaalsContact C-N 3.28Å; L616-K618 PolarHBondContact O-N 2.93Å; L616-A619 WeakPolarHBondContact O-CA 3.36Å; L616-A619 WeakPolarHBondContact O-CB 3.16Å; L616-A619 PolarHBondContact O-N 2.68Å; L616-F620 HydrophobicContact CD1-CE2 4.12Å; L616-F620 HydrophobicContact CD2-CE2 4.08Å; L616-F620 HydrophobicContact CG-CD2 4.11Å; L616-F620 HydrophobicContact CG-CE2 3.72Å; L616-F620 WeakPolarHBondContact O-CD2 3.38Å; L616-F620 PolarHBondContact O-N 2.82Å; L616-F620 VanDerWaalsContact O-N 3.16Å
617	A	42.8	Very low	39.1	Very low	11 Å²	11	78.7 Å²	78.7	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-66	-30.9	176.9	0	0	0	0	0	112.5	L611 S614 A619 F620 F621	L611-A617 WeakPolarHBondContact O-CB 3.27Å; S614-A617 PolarHBondContact OG-N 2.86Å; S614-A617 VanDerWaalsContact OG-N 3.08Å; A617-A619 PolarHBondContact O-N 2.88Å; A617-F620 PolarHBondContact O-N 3.28Å; A617-F621 HydrophobicContact CB-CD2 4.11Å; A617-F621 WeakPolarHBondContact O-CA 3.05Å; A617-F621 WeakPolarHBondContact O-CB 3.23Å; A617-F621 PolarHBondContact O-N 2.68Å
618	K	40.5	Very low	39.1	Very low	105 Å²	105	78.8 Å²	78.8	46%	0.457	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-17	171.1	-75.8	171.4	174	160.4	0	114	H613 S614 L616 T625	H613-K618 VanDerWaalsContact O-CE 3.28Å; H613-K618 WeakPolarHBondContact O-CE 3.17Å; H613-K618 PolarHBondContact O-NZ 3.15Å; S614-K618 WeakPolarHBondContact O-CB 3.46Å; S614-K618 VanDerWaalsContact O-CG 3.31Å; S614-K618 WeakPolarHBondContact O-CG 3.18Å; S614-K618 PolarHBondContact O-N 2.81Å; S614-K618 VanDerWaalsContact O-N 3.08Å; L616-K618 VanDerWaalsContact C-N 3.28Å; L616-K618 PolarHBondContact O-N 2.93Å; K618-T625 HydrophobicContact CG-CG2 4.14Å
619	A	41.8	Very low	39.1	Very low	49 Å²	49	80.5 Å²	80.5	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-89.9	-27.5	170.9	0	0	0	0	0	112.8	R615 L616 A617	R615-A619 PolarHBondContact O-N 3.3Å; L616-A619 WeakPolarHBondContact O-CA 3.36Å; L616-A619 WeakPolarHBondContact O-CB 3.16Å; L616-A619 PolarHBondContact O-N 2.68Å; A617-A619 PolarHBondContact O-N 2.88Å
620	F	37.9	Very low	39.2	Very low	36 Å²	36	82.6 Å²	82.6	16%	0.158	42%	0.416	C	S	.	.	H	α-helix	trans	-92.8	-23.9	178.2	-67.6	-51.1	0	0	0	114.7	F159 V163 L565 L616 A617	F159-F620 HydrophobicContact CE1-CE1 4.39Å; F159-F620 HydrophobicContact CE1-CZ 4.24Å; V163-F620 HydrophobicContact CG1-CE1 4.5Å; V163-F620 HydrophobicContact CG1-CZ 4.15Å; L565-F620 HydrophobicContact CD2-CB 3.93Å; L565-F620 HydrophobicContact CD2-CD1 3.35Å; L565-F620 HydrophobicContact CD2-CE1 4.06Å; L565-F620 HydrophobicContact CD2-CG 3.85Å; L616-F620 HydrophobicContact CD1-CE2 4.12Å; L616-F620 HydrophobicContact CD2-CE2 4.08Å; L616-F620 HydrophobicContact CG-CD2 4.11Å; L616-F620 HydrophobicContact CG-CE2 3.72Å; L616-F620 WeakPolarHBondContact O-CD2 3.38Å; L616-F620 PolarHBondContact O-N 2.82Å; L616-F620 VanDerWaalsContact O-N 3.16Å; A617-F620 PolarHBondContact O-N 3.28Å
621	F	43.7	Very low	39.3	Very low	53 Å²	53	78.7 Å²	78.7	23%	0.232	41%	0.409	C	S	.	.			trans	-136.6	60.2	-174.2	-51.5	-69.1	0	0	0	112.2	I213 L565 A617 D623 I624	I213-F621 HydrophobicContact CD1-CD1 4.1Å; I213-F621 HydrophobicContact CD1-CE1 3.61Å; I213-F621 HydrophobicContact CD1-CZ 4.39Å; I213-F621 HydrophobicContact CG1-CE1 4.41Å; L565-F621 HydrophobicContact CD1-CE1 3.85Å; L565-F621 HydrophobicContact CD1-CZ 4.14Å; A617-F621 HydrophobicContact CB-CD2 4.11Å; A617-F621 WeakPolarHBondContact O-CA 3.05Å; A617-F621 WeakPolarHBondContact O-CB 3.23Å; A617-F621 PolarHBondContact O-N 2.68Å; F621-D623 PolarHBondContact O-N 2.83Å; F621-I624 HydrophobicContact CB-CB 4.33Å; F621-I624 HydrophobicContact CB-CD1 3.95Å; F621-I624 HydrophobicContact CB-CG1 4.16Å; F621-I624 HydrophobicContact CD1-CD1 4.08Å; F621-I624 HydrophobicContact CG-CD1 4.17Å
622	P	40	Very low	39.2	Very low	74 Å²	74	79.1 Å²	79.1	48%	0.481	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-51.1	-178.1	22.5	-32.6	0	0	0	112.2	I624 T625	P622-I624 VanDerWaalsContact C-N 3.31Å; P622-I624 PolarHBondContact O-N 2.63Å; P622-T625 PolarHBondContact O-N 3.24Å; P622-T625 VanDerWaalsContact O-N 3.11Å; P622-T625 PolarHBondContact O-OG1 2.7Å
623	D	41.2	Very low	39.5	Very low	111 Å²	111	83.2 Å²	83.2	59%	0.594	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.8	-172.5	-59.4	-3.8	0	0	0	113.6	F621 T625 T626	F621-D623 PolarHBondContact O-N 2.83Å; D623-T625 PolarHBondContact O-N 3.32Å; D623-T625 VanDerWaalsContact O-N 3.12Å; D623-T626 PolarHBondContact O-N 3.13Å; D623-T626 PolarHBondContact O-OG1 2.74Å
624	I	41.1	Very low	39.4	Very low	57 Å²	57	84.8 Å²	84.8	29%	0.292	45%	0.448	S	S	.	.	H	α-helix	trans	-61.9	-25.8	-179.6	-60.8	-173.1	0	0	0	111	I213 F621 P622 I628	I213-I624 HydrophobicContact CD1-CD1 4.37Å; F621-I624 HydrophobicContact CB-CB 4.33Å; F621-I624 HydrophobicContact CB-CD1 3.95Å; F621-I624 HydrophobicContact CB-CG1 4.16Å; F621-I624 HydrophobicContact CD1-CD1 4.08Å; F621-I624 HydrophobicContact CG-CD1 4.17Å; P622-I624 VanDerWaalsContact C-N 3.31Å; P622-I624 PolarHBondContact O-N 2.63Å; I624-I628 HydrophobicContact CG2-CD1 3.79Å; I624-I628 HydrophobicContact CG2-CG1 4.5Å; I624-I628 WeakPolarHBondContact O-CG1 3.36Å; I624-I628 PolarHBondContact O-N 2.73Å
625	T	34.6	Very low	38.9	Very low	50 Å²	50	87 Å²	87	31%	0.307	46%	0.463	S	S	.	.	H	α-helix	trans	-76.4	-23.8	-178.6	66.9	0	0	0	0	114.6	K618 P622 D623	K618-T625 HydrophobicContact CG-CG2 4.14Å; P622-T625 PolarHBondContact O-N 3.24Å; P622-T625 VanDerWaalsContact O-N 3.11Å; P622-T625 PolarHBondContact O-OG1 2.7Å; D623-T625 PolarHBondContact O-N 3.32Å; D623-T625 VanDerWaalsContact O-N 3.12Å
626	T	37.8	Very low	38.4	Very low	87 Å²	87	83 Å²	83	53%	0.534	46%	0.459	S	S	.	.	H	α-helix	trans	-77.6	-44.8	177.7	61.3	0	0	0	0	110.9	D623 I628 N629 N630	D623-T626 PolarHBondContact O-N 3.13Å; D623-T626 PolarHBondContact O-OG1 2.74Å; T626-I628 VanDerWaalsContact C-N 3.33Å; T626-I628 PolarHBondContact O-N 3.21Å; T626-N629 PolarHBondContact O-N 3Å; T626-N630 PolarHBondContact O-N 3.49Å
627	T	36	Very low	38	Very low	81 Å²	81	87 Å²	87	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-38.8	179.1	-43.3	0	0	0	0	112.6	N631	T627-N631 PolarHBondContact O-N 2.76Å
628	I	35	Very low	37.7	Very low	51 Å²	51	94 Å²	94	26%	0.262	52%	0.516	S	S	.	.	H	α-helix	trans	-68.9	-38.4	179.7	-69	173.4	0	0	0	111.7	I624 T626 N631 N632	I624-I628 HydrophobicContact CG2-CD1 3.79Å; I624-I628 HydrophobicContact CG2-CG1 4.5Å; I624-I628 WeakPolarHBondContact O-CG1 3.36Å; I624-I628 PolarHBondContact O-N 2.73Å; T626-I628 VanDerWaalsContact C-N 3.33Å; T626-I628 PolarHBondContact O-N 3.21Å; I628-N631 PolarHBondContact O-N 2.91Å; I628-N632 WeakPolarHBondContact O-CB 3.46Å; I628-N632 PolarHBondContact O-N 3.04Å
629	N	36.1	Very low	37.3	Very low	99 Å²	99	96.2 Å²	96.2	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-45.4	178.6	-75.5	-5.4	0	0	0	111.5	T626 N631 N632 I633	T626-N629 PolarHBondContact O-N 3Å; N629-N631 VanDerWaalsContact C-N 3.31Å; N629-N631 PolarHBondContact O-N 3.22Å; N629-N632 PolarHBondContact O-N 3.32Å; N629-I633 WeakPolarHBondContact O-CD1 3.35Å; N629-I633 WeakPolarHBondContact O-CG1 3.11Å; N629-I633 PolarHBondContact O-N 2.92Å
630	N	37.6	Very low	37.1	Very low	110 Å²	110	99.5 Å²	99.5	59%	0.588	54%	0.54	S	S	*	.	H	α-helix	trans	-64.7	-34.1	-179.8	-69.7	-4.3	0	0	0	112.7	T626	T626-N630 PolarHBondContact O-N 3.49Å
631	N	37.8	Very low	36.9	Very low	100 Å²	100	99.7 Å²	99.7	54%	0.535	54%	0.542	S	S	.	.	H	α-helix	trans	-80.2	-29	179.3	-70.3	-9.9	0	0	0	113.4	T627 I628 N629 S635	T627-N631 PolarHBondContact O-N 2.76Å; I628-N631 PolarHBondContact O-N 2.91Å; N629-N631 VanDerWaalsContact C-N 3.31Å; N629-N631 PolarHBondContact O-N 3.22Å; N631-S635 WeakPolarHBondContact O-CB 3.46Å; N631-S635 PolarHBondContact O-OG 3.09Å
632	N	37.8	Very low	36.3	Very low	99 Å²	99	101 Å²	101	53%	0.529	56%	0.555	S	S	.	*	H	α-helix	trans	-80.2	-25.2	178.6	-80	-20	0	0	0	113.9	I628 N629 S635	I628-N632 WeakPolarHBondContact O-CB 3.46Å; I628-N632 PolarHBondContact O-N 3.04Å; N629-N632 PolarHBondContact O-N 3.32Å; N632-S635 PolarHBondContact O-N 2.75Å
633	I	39.8	Very low	35.7	Very low	133 Å²	133	103.3 Å²	103.3	68%	0.682	56%	0.56	S	S	*	*	H	α-helix	trans	-69.7	-33.5	179.3	-71.7	167.2	0	0	0	112.1	N629 S635	N629-I633 WeakPolarHBondContact O-CD1 3.35Å; N629-I633 WeakPolarHBondContact O-CG1 3.11Å; N629-I633 PolarHBondContact O-N 2.92Å; I633-S635 VanDerWaalsContact C-N 3.3Å; I633-S635 PolarHBondContact O-N 3.32Å
634	N	36.2	Very low	35	Very low	148 Å²	148	105.3 Å²	105.3	79%	0.791	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	1.3	177.6	-71.8	-30.2	0	0	0	114.4
635	S	33.2	Very low	34.3	Very low	80 Å²	80	110.1 Å²	110.1	56%	0.559	59%	0.588	S	S	*	*	S	Bend	trans	-119.9	23.1	-164.2	-58.3	0	0	0	0	114.7	N631 N632 I633	N631-S635 WeakPolarHBondContact O-CB 3.46Å; N631-S635 PolarHBondContact O-OG 3.09Å; N632-S635 PolarHBondContact O-N 2.75Å; I633-S635 VanDerWaalsContact C-N 3.3Å; I633-S635 PolarHBondContact O-N 3.32Å
636	N	32.1	Very low	34	Very low	138 Å²	138	112 Å²	112	74%	0.738	60%	0.604	S	S	*	*			trans	-148.2	76.7	175.7	-91	-57.5	0	0	0	113
637	N	35.5	Very low	33.6	Very low	156 Å²	156	115.9 Å²	115.9	83%	0.834	62%	0.616	S	S	*	*			trans	-159.4	155.6	156.5	-103.7	-47.4	0	0	0	110.8
638	N	35	Very low	33.1	Very low	156 Å²	156	117.8 Å²	117.8	83%	0.834	62%	0.622	S	S	*	*			trans	72.8	54.3	174.9	-52.5	-36.9	0	0	0	118.1	H640	N638-H640 PolarHBondContact O-N 2.78Å
639	N	32.7	Very low	32.8	Very low	153 Å²	153	123 Å²	123	82%	0.818	65%	0.646	S	S	*	*			trans	-68.3	116.9	146.2	-85.1	-25.8	0	0	0	109.1
640	H	36.8	Very low	32.3	Very low	118 Å²	118	125 Å²	125	55%	0.546	65%	0.65	S	S	.	*			trans	163.1	112.9	130	-95.4	-70.4	0	0	0	114.4	N638 R730	N638-H640 PolarHBondContact O-N 2.78Å; H640-R730 PolarHBondContact O-NE 2.68Å; H640-R730 VanDerWaalsContact O-NE 3.14Å
641	D	33.8	Very low	31.7	Very low	39 Å²	39	124.7 Å²	124.7	21%	0.209	65%	0.648	C	S	.	*			trans	82.5	94.9	138.9	-38.3	-28.5	0	0	0	120	R730 H732	D641-R730 HydrophobicContact CB-CG 4.02Å; D641-R730 VanDerWaalsContact O-CA 3.3Å; D641-R730 WeakPolarHBondContact O-CA 3.42Å; D641-R730 WeakPolarHBondContact O-CG 3.4Å; D641-R730 IonicContact OD2-CZ 2.8Å; D641-R730 IonicContact OD2-NE 3.76Å; D641-R730 IonicContact OD2-NH1 2.79Å; D641-R730 PolarHBondContact OD2-NH1 2.86Å; D641-H732 IonicContact OD1-CE1 2.73Å; D641-H732 PolarHBondContact OD1-CE1 3.06Å; D641-H732 IonicContact OD1-ND1 3.13Å; D641-H732 PolarHBondContact OD1-ND1 2.69Å; D641-H732 IonicContact OD1-NE2 2.79Å; D641-H732 IonicContact OD2-CE1 3.84Å; D641-H732 IonicContact OD2-NE2 2.68Å
642	T	31.8	Very low	31.1	Very low	82 Å²	82	123.2 Å²	123.2	50%	0.503	65%	0.645	S	S	.	*				50.2	160.5	112.9	51.1	0	0	0	0	123.3	R731 H732	T642-R731 CarbonylContact C-O 3.6Å; T642-R731 WeakPolarHBondContact CB-O 3.11Å; T642-R731 PolarHBondContact O-N 2.82Å; T642-R731 VanDerWaalsContact O-O 3.12Å; T642-R731 PolarHBondContact OG1-O 2.85Å; T642-H732 PolarHBondContact OG1-ND1 2.94Å
643	E	28	Very low	30.5	Very low	122 Å²	122	125 Å²	125	57%	0.57	65%	0.648	S	S	*	*			trans	71.8	138.6	-175	-74	166.1	-163.4	0	0	116	R731 H732	E643-R731 WeakPolarHBondContact CG-O 3.44Å; E643-R731 WeakPolarHBondContact OE2-CA 3.44Å; E643-R731 WeakPolarHBondContact OE2-CB 3.3Å; E643-R731 PolarHBondContact OE2-N 3.24Å; E643-H732 PolarHBondContact OE1-N 3.35Å
644	M	26.8	Very low	29.8	Very low	152 Å²	152	122.8 Å²	122.8	75%	0.749	63%	0.634	S	S	*	*			cis	-177.2	176.7	-27	-118.3	-77.3	-91.3	0	0	106.7
645	E	26.6	Very low	29.6	Very low	158 Å²	158	121.1 Å²	121.1	74%	0.738	63%	0.634	S	S	*	*			trans	46.5	105.4	159.5	-75.7	172.6	-156.1	0	0	118.1
646	S	26.7	Very low	29.3	Very low	91 Å²	91	120.4 Å²	120.4	64%	0.636	63%	0.629	S	S	*	*				149.2	171.2	59.2	54.7	0	0	0	0	107.5
647	H	29.9	Very low	29.1	Very low	168 Å²	168	122.4 Å²	122.4	78%	0.778	64%	0.637	S	S	*	*			trans	54.3	131.5	160.7	-69	-12.4	0	0	0	118.4
648	N	26.4	Very low	28.9	Very low	120 Å²	120	118.3 Å²	118.3	64%	0.642	63%	0.632	S	S	*	*			cis	167.8	175.7	-6.3	-124.7	-25.8	0	0	0	104.1
649	Q	28.8	Very low	28.4	Very low	160 Å²	160	119.8 Å²	119.8	75%	0.748	64%	0.636	S	S	*	*			trans	71.3	116.2	152	-72.7	164.8	23.4	0	0	120.8
650	F	25.9	Very low	28.3	Very low	142 Å²	142	120.6 Å²	120.6	62%	0.623	64%	0.639	S	S	*	*			trans	66.1	100.2	130.9	-80.4	-111.1	0	0	0	120.5
651	L	25.1	Very low	27.7	Very low	104 Å²	104	120.1 Å²	120.1	55%	0.545	65%	0.649	S	S	.	*				39.2	97.6	102.2	-71.9	153.8	0	0	0	117.6
652	S	24.7	Very low	27.5	Very low	68 Å²	68	122.9 Å²	122.9	48%	0.476	67%	0.671	S	S	.	*				78	156.3	129.8	85.7	0	0	0	0	119.5	I810	S652-I810 WeakPolarHBondContact OG-CG2 3.34Å
653	K	24.9	Very low	27.5	Very low	137 Å²	137	126.3 Å²	126.3	60%	0.596	69%	0.687	S	S	*	*			trans	158	112.9	-176.4	-49.5	172.1	173.6	154.5	0	112.8	I810	K653-I810 HydrophobicContact CD-CG2 4.19Å; K653-I810 WeakPolarHBondContact CE-O 3.18Å; K653-I810 HydrophobicContact CG-CB 4.4Å; K653-I810 HydrophobicContact CG-CG2 3.65Å; K653-I810 PolarHBondContact NZ-O 3.05Å
654	K	25.5	Very low	27.8	Very low	86 Å²	86	125.4 Å²	125.4	37%	0.374	69%	0.693	S	S	.	*			trans	-62.9	145.8	175.3	-64.4	138	133.1	159.5	0	113.9	K808 T809	K654-K808 VanDerWaalsContact CE-C 3.47Å; K654-K808 VanDerWaalsContact CE-CB 3.48Å; K654-K808 WeakPolarHBondContact CE-O 3.25Å; K654-K808 PolarHBondContact NZ-O 3.37Å; K654-T809 WeakPolarHBondContact CE-O 3.5Å; K654-T809 WeakPolarHBondContact CE-OG1 3.5Å; K654-T809 WeakPolarHBondContact CG-OG1 3.21Å; K654-T809 PolarHBondContact NZ-O 3.07Å
655	S	30.5	Very low	28.1	Very low	113 Å²	113	122.2 Å²	122.2	79%	0.79	69%	0.686	S	S	*	*				-176.8	143.3	128.8	46.8	0	0	0	0	108.8
656	S	26.9	Very low	28.4	Very low	66 Å²	66	121.6 Å²	121.6	46%	0.462	69%	0.688	S	S	.	*			cis	79.2	91	3.3	97.8	0	0	0	0	118.5	K808	S656-K808 WeakPolarHBondContact OG-CE 3.01Å; S656-K808 PolarHBondContact OG-NZ 3.34Å
657	I	29.6	Very low	28.7	Very low	179 Å²	179	122 Å²	122	92%	0.918	69%	0.691	S	S	*	*			trans	-174.5	142.1	154.4	-92.7	143.5	0	0	0	104.8
658	G	30	Very low	28.7	Very low	70 Å²	70	118.8 Å²	118.8	72%	0.722	69%	0.687	S	S	*	*			cis	-174.3	169.5	-6.4	0	0	0	0	0	110.6
659	M	24.5	Very low	29	Very low	187 Å²	187	118.3 Å²	118.3	92%	0.921	69%	0.693	S	S	*	*			trans	-71.6	158.4	166.6	-62.9	171.3	173	0	0	110.5
660	I	30.7	Very low	29	Very low	171 Å²	171	115.5 Å²	115.5	88%	0.877	69%	0.692	S	S	*	*			trans	-166.4	144.2	132.2	-101.5	152	0	0	0	110.3
661	S	25.3	Very low	29.3	Very low	108 Å²	108	113 Å²	113	76%	0.755	69%	0.691	S	S	*	*			trans	-94.9	153.2	178	51.8	0	0	0	0	112.5
662	S	30	Very low	29.4	Very low	96 Å²	96	113.1 Å²	113.1	67%	0.671	70%	0.701	S	S	*	*			trans	-171.6	132	142.1	29.2	0	0	0	0	111.8
663	D	31.2	Very low	29.6	Very low	155 Å²	155	114.2 Å²	114.2	83%	0.829	71%	0.709	S	S	*	*				58.5	139.4	127.2	-51.9	-16.9	0	0	0	120.4
664	S	33.8	Very low	29.6	Very low	102 Å²	102	112.8 Å²	112.8	71%	0.713	72%	0.716	S	S	*	*			cis	-162.7	167.3	4.2	39	0	0	0	0	113.8
665	S	34.2	Very low	29.7	Very low	86 Å²	86	113.1 Å²	113.1	60%	0.601	73%	0.729	S	S	*	*			trans	62.1	110	142.2	63.4	0	0	0	0	121.5
666	D	32	Very low	29.4	Very low	145 Å²	145	114 Å²	114	78%	0.775	73%	0.73	S	S	*	*				80.4	97.9	112.5	-57.3	-16.6	0	0	0	122.1
667	S	32.1	Very low	29.4	Very low	99 Å²	99	115.4 Å²	115.4	69%	0.692	74%	0.74	S	S	*	*				121.2	118.1	92.8	68.2	0	0	0	0	119.7
668	S	31.4	Very low	29.2	Very low	100 Å²	100	112.1 Å²	112.1	70%	0.699	73%	0.733	S	S	*	*				76.6	133.2	128.8	73.6	0	0	0	0	122.3
669	S	31.9	Very low	29.1	Very low	111 Å²	111	113.8 Å²	113.8	78%	0.776	73%	0.733	S	S	*	*			trans	68.6	146.3	148	68.2	0	0	0	0	119.5
670	S	29.7	Very low	29.3	Very low	101 Å²	101	110.7 Å²	110.7	71%	0.706	73%	0.725	S	S	*	*			cis	-166.4	178.3	-22.5	52.7	0	0	0	0	110.3
671	S	30.4	Very low	29.3	Very low	89 Å²	89	109.7 Å²	109.7	62%	0.622	72%	0.721	S	S	*	*			trans	56	87.6	143.6	58.5	0	0	0	0	119.8
672	S	27.1	Very low	29.5	Very low	106 Å²	106	110.2 Å²	110.2	74%	0.741	72%	0.715	S	S	*	*				72.5	165.9	112.6	69.5	0	0	0	0	122.7
673	S	29.2	Very low	29.5	Very low	91 Å²	91	111.7 Å²	111.7	64%	0.636	72%	0.715	S	S	*	*			trans	67.4	81.7	148.7	48.5	0	0	0	0	120
674	S	25.4	Very low	29.5	Very low	107 Å²	107	110.2 Å²	110.2	75%	0.748	71%	0.708	S	S	*	*				65.7	167.4	110.8	66.7	0	0	0	0	122.5
675	S	27.8	Very low	29.3	Very low	94 Å²	94	112.1 Å²	112.1	66%	0.657	71%	0.708	S	S	*	*			trans	75.4	93.4	154.4	44.8	0	0	0	0	120.8
676	T	25	Very low	29.2	Very low	131 Å²	131	117.5 Å²	117.5	80%	0.804	72%	0.717	S	S	*	*				69.5	159.4	120.7	53.7	0	0	0	0	123
677	S	25.6	Very low	29	Very low	95 Å²	95	116.7 Å²	116.7	66%	0.664	71%	0.713	S	S	*	*			trans	70.5	91.1	150	43.8	0	0	0	0	119.8
678	S	25.9	Very low	28.9	Very low	111 Å²	111	116.6 Å²	116.6	78%	0.776	71%	0.712	S	S	*	*				36.9	131.8	114.8	63.4	0	0	0	0	120.9
679	S	28.4	Very low	28.9	Very low	105 Å²	105	116.8 Å²	116.8	73%	0.734	71%	0.713	S	S	*	*				-172.8	126.3	110.3	51.7	0	0	0	0	113.9
680	T	27.7	Very low	29	Very low	122 Å²	122	117.2 Å²	117.2	75%	0.748	71%	0.711	S	S	*	*			trans	17.2	163.8	136.8	56.1	0	0	0	0	123.3
681	L	30.2	Very low	28.8	Very low	150 Å²	150	118.7 Å²	118.7	79%	0.785	71%	0.711	S	S	*	*			trans	110.6	135.4	157.6	-61.7	174.6	0	0	0	114.4
682	N	29.7	Very low	29	Very low	118 Å²	118	121 Å²	121	63%	0.631	72%	0.717	S	S	*	*			cis	-164.6	-175.7	-20.7	-143.1	45.3	0	0	0	111.2
683	D	31.8	Very low	29.1	Very low	127 Å²	127	123.3 Å²	123.3	68%	0.679	72%	0.715	S	S	*	*			trans	73.7	143.2	151.6	-63.9	-31.8	0	0	0	120.5
684	N	30.1	Very low	29.2	Very low	125 Å²	125	125.9 Å²	125.9	67%	0.668	72%	0.72	S	S	*	*			cis	-168.3	178.9	-29.9	-137.5	-53.5	0	0	0	110.5
685	I	30.5	Very low	29.4	Very low	142 Å²	142	125.5 Å²	125.5	73%	0.728	71%	0.714	S	S	*	*			trans	72	131.8	158	-65.4	151.5	0	0	0	117.2
686	Y	30.4	Very low	29.5	Very low	199 Å²	199	127.1 Å²	127.1	78%	0.78	72%	0.72	S	S	*	*			cis	-150.4	162.8	-3.6	-132.9	-137.7	0	0	0	112.9
687	N	28.3	Very low	29.8	Very low	128 Å²	128	125.7 Å²	125.7	68%	0.684	72%	0.715	S	S	*	*			trans	-30.1	159.1	168.9	-51.1	-67.9	0	0	0	117.8
688	S	31.2	Very low	30	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	71%	0.714	S	S	*	*			cis	-168.6	139	39.6	59.4	0	0	0	0	116.9
689	S	30.6	Very low	30.3	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	72%	0.721	S	S	*	*				48.1	146.1	129.3	77.3	0	0	0	0	122.7
690	T	33	Very low	30.3	Very low	119 Å²	119	131 Å²	131	73%	0.73	72%	0.718	S	S	*	*			cis	-143.9	131.1	15.5	47.3	0	0	0	0	114.6
691	N	27.5	Very low	30.3	Very low	133 Å²	133	133.2 Å²	133.2	71%	0.711	72%	0.719	S	S	*	*				25.9	129.6	129.4	-51.7	-6.2	0	0	0	121.2
692	N	33	Very low	30.2	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	72%	0.724	S	S	*	*				-169.6	122.4	98.4	-89.6	-23.8	0	0	0	112.7
693	H	30	Very low	30	Very low	154 Å²	154	133.3 Å²	133.3	71%	0.713	72%	0.721	S	S	*	*				39.2	140.1	129.7	-62.2	-58.5	0	0	0	120.6
694	I	30.6	Very low	29.7	Very low	144 Å²	144	135 Å²	135	74%	0.738	73%	0.729	S	S	*	*			cis	-166.4	156.1	14.7	-123.9	161.7	0	0	0	107.8
695	T	31.2	Very low	29.4	Very low	100 Å²	100	135.1 Å²	135.1	61%	0.613	73%	0.734	S	S	*	*			cis	-168.4	156.1	-28.3	26.2	0	0	0	0	108
696	T	28.7	Very low	29.1	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	74%	0.738	S	S	*	*			trans	60.6	146	159	52.1	0	0	0	0	119
697	S	31.3	Very low	28.8	Very low	100 Å²	100	133.3 Å²	133.3	70%	0.699	73%	0.733	S	S	*	*			cis	-142.1	126.8	6.3	55.2	0	0	0	0	110
698	D	29.9	Very low	28.7	Very low	121 Å²	121	132.6 Å²	132.6	65%	0.647	73%	0.734	S	S	*	*				75.2	97.3	91.2	-51.7	-49.1	0	0	0	114.8
699	D	32.8	Very low	28.5	Very low	171 Å²	171	135.8 Å²	135.8	91%	0.914	74%	0.735	S	S	*	*				-160.1	151.2	119	-120.3	-27.1	0	0	0	110.6
700	I	28.4	Very low	28.3	Very low	132 Å²	132	135.6 Å²	135.6	68%	0.677	73%	0.73	S	S	*	*			trans	-130.8	134.5	-141.6	-82	172	0	0	0	116.8
701	H	26.9	Very low	28.1	Very low	168 Å²	168	137 Å²	137	78%	0.778	73%	0.733	S	S	*	*			trans	28.8	131.4	151	-69.6	-118.3	0	0	0	122.6
702	Q	28.9	Very low	27.9	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	73%	0.734	S	S	*	*				-141.2	108.5	119.5	-87.7	-178.3	3.2	0	0	107.4
703	S	26	Very low	27.7	Very low	80 Å²	80	141.6 Å²	141.6	56%	0.559	74%	0.742	S	S	*	*				66.5	96.7	80.8	71.9	0	0	0	0	112.9
704	L	24.2	Very low	27.5	Very low	163 Å²	163	138.7 Å²	138.7	85%	0.853	74%	0.739	S	S	*	*				86.5	98.4	85.7	-91	166.6	0	0	0	114.4
705	T	24	Very low	27.2	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	74%	0.742	S	S	*	*			trans	-158.3	128.3	136.6	15.8	0	0	0	0	109.6
706	I	24.3	Very low	27.1	Very low	155 Å²	155	139.7 Å²	139.7	80%	0.795	74%	0.744	S	S	*	*			trans	-98.3	95.8	163.2	-64	173.9	0	0	0	106	T708	I706-T708 HydrophobicContact CG2-CG2 4.24Å
707	E	24.5	Very low	26.9	Very low	148 Å²	148	140.5 Å²	140.5	69%	0.692	74%	0.744	S	S	*	*			trans	-91.4	97.2	166.5	-76.2	-164.8	175.5	0	0	109.6	K709	E707-K709 VanDerWaalsContact C-N 3.35Å; E707-K709 PolarHBondContact O-N 3.14Å
708	T	25.1	Very low	26.9	Very low	113 Å²	113	141.7 Å²	141.7	69%	0.693	75%	0.746	S	S	*	*			trans	-69.7	92.5	162.4	47.9	0	0	0	0	109	I706 T710	I706-T708 HydrophobicContact CG2-CG2 4.24Å; T708-T710 VanDerWaalsContact C-N 3.28Å; T708-T710 PolarHBondContact O-N 2.99Å
709	K	27.3	Very low	26.6	Very low	164 Å²	164	143.4 Å²	143.4	71%	0.713	76%	0.756	S	S	*	*			trans	-71.2	87.9	169	-77.9	-166.3	172.6	-174.9	0	110.7	E707 D711	E707-K709 VanDerWaalsContact C-N 3.35Å; E707-K709 PolarHBondContact O-N 3.14Å; K709-D711 PolarHBondContact O-N 2.69Å; K709-D711 VanDerWaalsContact O-N 3.16Å
710	T	25.8	Very low	26.5	Very low	99 Å²	99	140.6 Å²	140.6	61%	0.607	75%	0.75	S	S	*	*			trans	-73.8	89	163	52.5	0	0	0	0	108.8	T708 N712	T708-T710 VanDerWaalsContact C-N 3.28Å; T708-T710 PolarHBondContact O-N 2.99Å; T710-N712 PolarHBondContact O-N 3.25Å
711	D	28.7	Very low	26.3	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	75%	0.751	S	S	*	*			trans	-71	86.9	167.6	-79.9	-15.7	0	0	0	108.9	K709 Y713	K709-D711 PolarHBondContact O-N 2.69Å; K709-D711 VanDerWaalsContact O-N 3.16Å; D711-Y713 PolarHBondContact O-N 3.5Å
712	N	24.4	Very low	26.5	Very low	136 Å²	136	140.4 Å²	140.4	73%	0.727	76%	0.757	S	S	*	*			trans	-66.9	111	175.3	-69	-41.5	0	0	0	109.9	T710	T710-N712 PolarHBondContact O-N 3.25Å
713	Y	28.1	Very low	26.3	Very low	231 Å²	231	137 Å²	137	91%	0.906	75%	0.749	S	S	*	*			trans	-110.5	112.1	149.6	-93.2	-84.8	0	0	0	109.2	D711	D711-Y713 PolarHBondContact O-N 3.5Å
714	S	26.7	Very low	26.4	Very low	92 Å²	92	141.4 Å²	141.4	64%	0.643	76%	0.764	S	S	*	*			trans	-70.8	136.3	-172.8	49.6	0	0	0	0	112.3	T716	S714-T716 PolarHBondContact O-N 3.02Å
715	I	23.4	Very low	26.5	Very low	157 Å²	157	136.3 Å²	136.3	81%	0.805	75%	0.751	S	S	*	*			trans	-63.1	127.6	156.3	-61.9	169.1	0	0	0	107.6
716	T	30.1	Very low	26.8	Very low	109 Å²	109	138.6 Å²	138.6	67%	0.669	76%	0.758	S	S	*	*			trans	-138.7	100.8	168.7	54.9	0	0	0	0	109.9	S714 V718	S714-T716 PolarHBondContact O-N 3.02Å; T716-V718 PolarHBondContact O-N 2.85Å
717	D	24.1	Very low	27	Very low	144 Å²	144	135.3 Å²	135.3	77%	0.77	75%	0.748	S	S	*	*			trans	-65.9	127.2	166	-65.4	-71.7	0	0	0	110.5
718	V	30.5	Very low	27.1	Very low	125 Å²	125	138.6 Å²	138.6	76%	0.758	75%	0.754	S	S	*	*			trans	-138.7	101.7	158.2	-175.3	0	0	0	0	109.4	T716	T716-V718 PolarHBondContact O-N 2.85Å
719	N	23.7	Very low	27.3	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	76%	0.757	S	S	*	*			trans	-69.4	129.5	161.4	-77.3	-63.4	0	0	0	109.8
720	S	30.6	Very low	27.3	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	75%	0.749	S	S	*	*			trans	-170.2	148.5	138.6	41.2	0	0	0	0	111.4
721	S	25.5	Very low	27.4	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	75%	0.753	S	S	*	*			trans	-99.5	154.9	-179.3	52.7	0	0	0	0	111.2
722	H	29.6	Very low	27.4	Very low	196 Å²	196	142.6 Å²	142.6	91%	0.907	74%	0.739	S	S	*	*			trans	-147.9	139.8	139.9	-118.7	-72	0	0	0	112.3
723	V	25.5	Very low	27.9	Very low	119 Å²	119	140.8 Å²	140.8	72%	0.721	74%	0.735	S	S	*	*			trans	-106.7	140.2	-175.5	172	0	0	0	0	110.1
724	I	28.8	Very low	27.9	Very low	172 Å²	172	137.4 Å²	137.4	88%	0.882	73%	0.733	S	S	*	*			trans	175.3	137.9	145.4	-88.7	146.6	0	0	0	105.8
725	G	25.9	Very low	27.8	Very low	56 Å²	56	138.8 Å²	138.8	58%	0.577	74%	0.737	S	S	*	*			cis	153.2	158.5	-2.7	0	0	0	0	0	111.1
726	L	30.2	Very low	28	Very low	175 Å²	175	138 Å²	138	92%	0.916	73%	0.733	S	S	*	*			trans	79.6	146.3	178.5	-48.1	169.4	0	0	0	117.3
727	S	28.1	Very low	27.8	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	74%	0.743	S	S	*	*			cis	-172	134.7	-48	-126.3	0	0	0	0	113.1
728	R	27.1	Very low	28	Very low	217 Å²	217	137 Å²	137	82%	0.819	74%	0.739	S	S	*	*			trans	68.5	156	149.6	-64.2	162.4	179	-179.7	-0.7	116.6
729	K	29.2	Very low	27.8	Very low	174 Å²	174	136.1 Å²	136.1	76%	0.757	74%	0.739	S	S	*	*			cis	-161.5	124.1	-3.4	-116.3	169.2	178.8	-174.8	0	106.5
730	R	26.8	Very low	27.8	Very low	141 Å²	141	134 Å²	134	53%	0.532	74%	0.737	S	S	.	*				33.2	119.5	98.1	-68	-150.8	-173.2	-177.6	19.9	119.3	H640 D641	H640-R730 PolarHBondContact O-NE 2.68Å; H640-R730 VanDerWaalsContact O-NE 3.14Å; D641-R730 HydrophobicContact CB-CG 4.02Å; D641-R730 VanDerWaalsContact O-CA 3.3Å; D641-R730 WeakPolarHBondContact O-CA 3.42Å; D641-R730 WeakPolarHBondContact O-CG 3.4Å; D641-R730 IonicContact OD2-CZ 2.8Å; D641-R730 IonicContact OD2-NE 3.76Å; D641-R730 IonicContact OD2-NH1 2.79Å; D641-R730 PolarHBondContact OD2-NH1 2.86Å
731	R	28.3	Very low	27.8	Very low	185 Å²	185	137.4 Å²	137.4	70%	0.698	75%	0.745	S	S	*	*				-165.6	-178.1	115	-108.3	172.6	-177.3	-164.2	-2.8	114.8	T642 E643	T642-R731 CarbonylContact C-O 3.6Å; T642-R731 WeakPolarHBondContact CB-O 3.11Å; T642-R731 PolarHBondContact O-N 2.82Å; T642-R731 VanDerWaalsContact O-O 3.12Å; T642-R731 PolarHBondContact OG1-O 2.85Å; E643-R731 WeakPolarHBondContact CG-O 3.44Å; E643-R731 WeakPolarHBondContact OE2-CA 3.44Å; E643-R731 WeakPolarHBondContact OE2-CB 3.3Å; E643-R731 PolarHBondContact OE2-N 3.24Å
732	H	28.3	Very low	27.7	Very low	110 Å²	110	137.3 Å²	137.3	51%	0.509	74%	0.744	S	S	.	*			trans	-127.1	161.7	-135.6	-131.7	14.1	0	0	0	113.6	D641 T642 E643	D641-H732 IonicContact OD1-CE1 2.73Å; D641-H732 PolarHBondContact OD1-CE1 3.06Å; D641-H732 IonicContact OD1-ND1 3.13Å; D641-H732 PolarHBondContact OD1-ND1 2.69Å; D641-H732 IonicContact OD1-NE2 2.79Å; D641-H732 IonicContact OD2-CE1 3.84Å; D641-H732 IonicContact OD2-NE2 2.68Å; T642-H732 PolarHBondContact OG1-ND1 2.94Å; E643-H732 PolarHBondContact OE1-N 3.35Å
733	P	35.1	Very low	27.5	Very low	98 Å²	98	132.3 Å²	132.3	64%	0.636	73%	0.731	S	S	*	*			trans	-86	178.8	-164.3	37.8	-39.1	0	0	0	114.9
734	N	28.6	Very low	27.6	Very low	161 Å²	161	134.5 Å²	134.5	86%	0.861	74%	0.739	S	S	*	*			trans	-142.3	152.3	160.8	-105.3	-40	0	0	0	112.7
735	T	24.7	Very low	27.3	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	74%	0.736	S	S	*	*			trans	-90.5	171.3	175.6	47.6	0	0	0	0	111.8
736	I	27.1	Very low	27.3	Very low	141 Å²	141	138.2 Å²	138.2	72%	0.723	75%	0.746	S	S	*	*				159.1	125.6	129	-84	162.2	0	0	0	113.4
737	N	25.2	Very low	27	Very low	163 Å²	163	139.4 Å²	139.4	87%	0.872	74%	0.74	S	S	*	*			trans	53.1	149.2	153.4	-59.2	-4.9	0	0	0	122.9
738	G	28.7	Very low	26.8	Very low	67 Å²	67	140.9 Å²	140.9	69%	0.691	75%	0.745	S	S	*	*			trans	146.5	41.8	173.2	0	0	0	0	0	115.6
739	S	27.5	Very low	26.6	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	74%	0.738	S	S	*	*				63.4	94.2	112.4	68	0	0	0	0	117.9
740	S	24.2	Very low	26.5	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	74%	0.74	S	S	*	*			trans	36	118.9	132.8	60.6	0	0	0	0	120.9
741	L	29.3	Very low	26.2	Very low	183 Å²	183	136.9 Å²	136.9	96%	0.958	75%	0.746	S	S	*	*				-147.5	143.4	129.9	-111.3	161.3	0	0	0	108.7
742	S	24.8	Very low	26.2	Very low	98 Å²	98	135 Å²	135	69%	0.685	75%	0.749	S	S	*	*			trans	-115.5	170.8	-162.8	60.8	0	0	0	0	113.5
743	S	23.5	Very low	26	Very low	91 Å²	91	138 Å²	138	64%	0.636	76%	0.764	S	S	*	*			trans	51.5	108.6	145.5	58.3	0	0	0	0	118.4
744	N	28.2	Very low	25.5	Very low	166 Å²	166	144.1 Å²	144.1	89%	0.888	78%	0.776	S	S	*	*				-151.3	128.2	113.3	-96.8	-25.2	0	0	0	110.4
745	E	23.3	Very low	25.2	Very low	173 Å²	173	143.3 Å²	143.3	81%	0.808	77%	0.77	S	S	*	*			trans	-88.9	146.9	174.8	-58.4	166.5	118.6	0	0	109.6
746	V	26.3	Very low	25.3	Very low	132 Å²	132	145.3 Å²	145.3	80%	0.8	77%	0.771	S	S	*	*			trans	-138.6	111.6	154.2	-180	0	0	0	0	108.3	V748	V746-V748 HydrophobicContact CG1-CG2 4.49Å
747	Y	22.1	Very low	25.2	Very low	201 Å²	201	146.4 Å²	146.4	79%	0.788	78%	0.779	S	S	*	*			trans	-61.7	136	165.1	-101.1	-118.4	0	0	0	109.9
748	V	25.4	Very low	25.2	Very low	116 Å²	116	142.8 Å²	142.8	70%	0.703	77%	0.766	S	S	*	*			trans	-126.1	83.6	155	-176.6	0	0	0	0	108.2	V746 K750	V746-V748 HydrophobicContact CG1-CG2 4.49Å; V748-K750 HydrophobicContact CG1-CG 4.28Å; V748-K750 PolarHBondContact O-N 3Å
749	Q	22.6	Very low	25	Very low	143 Å²	143	145.5 Å²	145.5	67%	0.668	77%	0.773	S	S	*	*			trans	-67.7	114.4	167.1	-175.4	173.8	-1.3	0	0	108.1
750	K	25.9	Very low	24.8	Very low	182 Å²	182	147 Å²	147	79%	0.791	77%	0.772	S	S	*	*			trans	-105.1	77.7	168.8	-86.2	-164.5	171.8	-170.3	0	110.3	V748	V748-K750 HydrophobicContact CG1-CG 4.28Å; V748-K750 PolarHBondContact O-N 3Å
751	N	22.3	Very low	25	Very low	123 Å²	123	149.3 Å²	149.3	66%	0.658	78%	0.776	S	S	*	*			trans	-62.4	133.9	140.6	-67.1	16.1	0	0	0	106.4
752	N	27.2	Very low	24.8	Very low	144 Å²	144	149 Å²	149	77%	0.77	77%	0.772	S	S	*	*			trans	-160.3	104.1	153.5	-113.5	22.3	0	0	0	106.2
753	E	23.3	Very low	24.8	Very low	175 Å²	175	151.4 Å²	151.4	82%	0.818	78%	0.777	S	S	*	*			trans	-55.6	144.3	155.3	-56.7	155	122.9	0	0	107.7
754	Y	26.3	Very low	25	Very low	226 Å²	226	154.1 Å²	154.1	89%	0.886	78%	0.784	S	S	*	*			trans	-151.4	122.8	138.4	-108.3	-69.2	0	0	0	109.8
755	L	22.4	Very low	24.9	Very low	143 Å²	143	153 Å²	153	75%	0.749	78%	0.777	S	S	*	*			trans	-74.5	162.3	174.1	-73.2	135.6	0	0	0	110.8
756	H	25.7	Very low	24.9	Very low	164 Å²	164	152.5 Å²	152.5	76%	0.759	78%	0.778	S	S	*	*			trans	44.3	101.2	150.5	-85.4	-93.5	0	0	0	118.4
757	D	24.5	Very low	24.9	Very low	164 Å²	164	153.9 Å²	153.9	88%	0.877	78%	0.776	S	S	*	*				-161.5	137.3	129.3	-100.9	-24.1	0	0	0	109.8
758	S	25.2	Very low	25.1	Very low	86 Å²	86	151.3 Å²	151.3	60%	0.601	77%	0.771	S	S	*	*			cis	-149.1	141.8	-16.6	42.8	0	0	0	0	110.2
759	C	24.8	Very low	25	Very low	124 Å²	124	154.5 Å²	154.5	84%	0.838	78%	0.778	S	S	*	*			trans	-83.6	126.3	157.1	-66.3	0	0	0	0	107.6
760	N	24	Very low	25.2	Very low	139 Å²	139	152.6 Å²	152.6	74%	0.743	78%	0.781	S	S	*	*			trans	-150.9	168.9	159.4	-90.8	-42.9	0	0	0	109.7	M762	N760-M762 PolarHBondContact O-N 3.29Å
761	D	27.9	Very low	25.1	Very low	162 Å²	162	150.4 Å²	150.4	87%	0.866	78%	0.777	S	S	*	*			trans	64.1	34.6	174.8	-56.5	-3.3	0	0	0	116.3
762	M	25.1	Very low	25.2	Very low	177 Å²	177	150.9 Å²	150.9	87%	0.872	79%	0.785	S	S	*	*			trans	-94	83.9	144	-101.8	-85.7	-76.8	0	0	108.8	N760	N760-M762 PolarHBondContact O-N 3.29Å
763	N	24.7	Very low	25.1	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	78%	0.775	S	S	*	*			trans	-177.5	107.3	153.1	-91	-33.4	0	0	0	109.7
764	D	27.8	Very low	25.1	Very low	147 Å²	147	146 Å²	146	79%	0.786	77%	0.768	S	S	*	*				-159.8	106.7	119.3	-111.8	-17.1	0	0	0	113
765	I	25.4	Very low	25.1	Very low	142 Å²	142	142.9 Å²	142.9	73%	0.728	77%	0.765	S	S	*	*			trans	40	104.9	136.8	-56.6	176.4	0	0	0	118.1
766	I	25	Very low	25.2	Very low	164 Å²	164	142 Å²	142	84%	0.841	76%	0.759	S	S	*	*			trans	-34.1	127.8	153.6	-61	156.1	0	0	0	113.2
767	Q	25.6	Very low	25.3	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	76%	0.758	S	S	*	*			trans	-141.2	140.7	147.1	-122.4	179.6	-43.3	0	0	112
768	E	25.8	Very low	25.3	Very low	148 Å²	148	137.4 Å²	137.4	69%	0.692	75%	0.747	S	S	*	*			trans	58.7	92.9	152.4	-72.7	160.2	-143	0	0	120.5
769	E	24.4	Very low	25.4	Very low	183 Å²	183	142.4 Å²	142.4	86%	0.855	76%	0.758	S	S	*	*				39.9	136.3	123.2	-56.1	-162.6	148.1	0	0	122.1
770	S	25.2	Very low	25.4	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	75%	0.745	S	S	*	*			trans	79.6	157.9	168.5	82.4	0	0	0	0	117.9
771	N	24	Very low	25.5	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	74%	0.74	S	S	*	*			trans	69.5	52.1	170.9	-52.2	-52.2	0	0	0	119.1	T773	N771-T773 PolarHBondContact O-N 2.92Å
772	T	25.7	Very low	25.4	Very low	134 Å²	134	139.7 Å²	139.7	82%	0.822	74%	0.736	S	S	*	*			trans	-72.1	71.9	164.8	45.5	0	0	0	0	113.2
773	T	24.6	Very low	25.5	Very low	91 Å²	91	136.9 Å²	136.9	56%	0.558	73%	0.731	S	S	*	*			trans	-125.5	131.6	167	50.1	0	0	0	0	110.7	N771	N771-T773 PolarHBondContact O-N 2.92Å
774	N	24.1	Very low	25.7	Very low	125 Å²	125	135.3 Å²	135.3	67%	0.668	73%	0.732	S	S	*	*			trans	70.7	105.4	-172.3	-35.3	-56.6	0	0	0	113.7
775	I	24.6	Very low	25.6	Very low	161 Å²	161	138.3 Å²	138.3	83%	0.826	74%	0.737	S	S	*	*			trans	-172.7	103.4	133.7	-88.7	148.7	0	0	0	104
776	M	26.1	Very low	25.9	Very low	124 Å²	124	140 Å²	140	61%	0.611	74%	0.743	S	S	*	*	S	Bend	trans	-155.3	104.8	170.7	-162.3	179	-164.5	0	0	104.4
777	N	27	Very low	26	Very low	139 Å²	139	137.8 Å²	137.8	74%	0.743	74%	0.739	S	S	*	*			trans	-63.9	141.5	-150.8	-73.5	-10.2	0	0	0	113.9	F779	N777-F779 PolarHBondContact O-N 3.16Å
778	S	24.6	Very low	25.9	Very low	93 Å²	93	139.9 Å²	139.9	65%	0.65	75%	0.745	S	S	*	*			trans	-80	109	-179.7	50.5	0	0	0	0	111	D780	S778-D780 PolarHBondContact O-N 2.72Å
779	F	26.7	Very low	25.9	Very low	191 Å²	191	145 Å²	145	84%	0.838	76%	0.758	S	S	*	*			trans	-78.8	59.1	152	-81.5	-76.6	0	0	0	110	N777	N777-F779 PolarHBondContact O-N 3.16Å
780	D	25.3	Very low	25.9	Very low	105 Å²	105	141.8 Å²	141.8	56%	0.561	76%	0.756	S	S	*	*			trans	-112.6	99.9	163.1	-80.5	-54.7	0	0	0	106.6	S778 H782	S778-D780 PolarHBondContact O-N 2.72Å; D780-H782 PolarHBondContact O-N 2.87Å
781	C	25.6	Very low	26.2	Very low	93 Å²	93	142 Å²	142	63%	0.628	76%	0.758	S	S	*	*			trans	-73	73.9	178.9	-67.7	0	0	0	0	111.2
782	H	25.9	Very low	26.4	Very low	170 Å²	170	144.9 Å²	144.9	79%	0.787	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65.4	125.7	170.7	-95.4	-58.9	0	0	0	110.5	D780	D780-H782 PolarHBondContact O-N 2.87Å
783	P	28.4	Very low	26.4	Very low	118 Å²	118	143.2 Å²	143.2	77%	0.766	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.3	144.1	177	27.7	-34.3	0	0	0	111.1
784	S	28.6	Very low	26.4	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-66.4	147.6	-179.3	52.4	0	0	0	0	112.4	Q786	S784-Q786 PolarHBondContact O-N 3.38Å
785	K	25.9	Very low	26.5	Very low	209 Å²	209	142.1 Å²	142.1	91%	0.909	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-69.9	129.3	-175.5	-62.9	167.6	-176.8	166.2	0	111.1
786	Q	30.2	Very low	26.6	Very low	179 Å²	179	140.3 Å²	140.3	84%	0.836	76%	0.755	S	S	*	*			trans	-118.6	148.4	156.9	-80.9	-76.2	-19.1	0	0	108.8	S784	S784-Q786 PolarHBondContact O-N 3.38Å
787	P	27.4	Very low	26.8	Very low	117 Å²	117	140 Å²	140	76%	0.76	76%	0.76	S	S	*	*			trans	-83.4	157.6	-161.7	32.4	-34.9	0	0	0	114.7
788	K	23	Very low	26.7	Very low	204 Å²	204	139 Å²	139	89%	0.887	76%	0.759	S	S	*	*			trans	-64.9	130.9	-179.6	-56.3	170.7	-178.2	175.4	0	112.5
789	R	27.2	Very low	26.9	Very low	254 Å²	254	140.9 Å²	140.9	96%	0.958	77%	0.767	S	S	*	*			trans	-136.8	154.1	136.7	-81	-162.7	170	179.4	-2.3	109.7
790	S	24.9	Very low	27	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	76%	0.761	S	S	*	*			trans	-134.2	139.8	-156.8	53.9	0	0	0	0	113.1
791	S	30	Very low	27	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	77%	0.771	S	S	*	*			trans	-160.7	109.4	152	52.6	0	0	0	0	114.2
792	F	27.7	Very low	27.2	Very low	195 Å²	195	142.2 Å²	142.2	86%	0.855	78%	0.784	S	S	*	*			trans	54.4	116.8	135.9	-78.4	-96.1	0	0	0	123.3
793	C	26.1	Very low	27.2	Very low	100 Å²	100	138.6 Å²	138.6	68%	0.676	78%	0.777	S	S	*	*				76.9	96.7	124.9	-79	0	0	0	0	123.6
794	S	24.7	Very low	27.2	Very low	96 Å²	96	141.1 Å²	141.1	67%	0.671	78%	0.779	S	S	*	*				70.5	117	107	68.8	0	0	0	0	123
795	S	26.9	Very low	27.2	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	78%	0.775	S	S	*	*				75.7	128.2	126.8	64.6	0	0	0	0	122.4
796	N	26.3	Very low	27.3	Very low	123 Å²	123	137.6 Å²	137.6	66%	0.658	77%	0.768	S	S	*	*			trans	72.5	150.8	150.7	-60.4	15.3	0	0	0	116.4
797	T	29.8	Very low	27.3	Very low	118 Å²	118	134.5 Å²	134.5	72%	0.724	76%	0.761	S	S	*	*			cis	-146.5	171.8	8.9	-21.4	0	0	0	0	111.7
798	T	26.4	Very low	27.4	Very low	117 Å²	117	135.2 Å²	135.2	72%	0.718	75%	0.752	S	S	*	*			trans	-77.1	150.4	178	52.4	0	0	0	0	115.2
799	T	28.9	Very low	27.7	Very low	132 Å²	132	129.1 Å²	129.1	81%	0.81	73%	0.733	S	S	*	*				-170.1	129.4	123.5	23.5	0	0	0	0	115.6
800	T	27.8	Very low	27.8	Very low	116 Å²	116	120.9 Å²	120.9	71%	0.712	71%	0.707	S	S	*	*			trans	9.3	118.3	144.4	47.6	0	0	0	0	123.3
801	T	25.2	Very low	28.4	Very low	126 Å²	126	118.7 Å²	118.7	77%	0.773	69%	0.69	S	S	*	*				34.9	131.1	121.4	60.1	0	0	0	0	122.8
802	I	29.1	Very low	28.5	Very low	176 Å²	176	117.6 Å²	117.6	90%	0.903	68%	0.675	S	S	*	*				-158.9	168.6	125.5	-101	155.8	0	0	0	108.5
803	S	26.5	Very low	28.6	Very low	93 Å²	93	112.5 Å²	112.5	65%	0.65	66%	0.657	S	S	*	*			trans	-115.5	179.2	-156	51	0	0	0	0	116.8
804	E	28.8	Very low	29	Very low	171 Å²	171	113.4 Å²	113.4	80%	0.799	66%	0.655	S	S	*	*			trans	88.7	108.2	155.2	-72.7	167.8	-157.6	0	0	122.2
805	C	27.5	Very low	29.4	Very low	109 Å²	109	116.1 Å²	116.1	74%	0.736	66%	0.657	S	S	*	*				84.7	129.8	122.4	-70.4	0	0	0	0	125.1
806	D	29.1	Very low	29.5	Very low	142 Å²	142	120.1 Å²	120.1	76%	0.759	67%	0.665	S	S	*	*			trans	81.8	95.1	136.5	-65.3	3.6	0	0	0	124.9
807	V	29.6	Very low	29.7	Very low	115 Å²	115	119.1 Å²	119.1	70%	0.697	67%	0.666	S	S	*	*				41.2	120	121.5	-172.1	0	0	0	0	119.3
808	K	29.6	Very low	29.8	Very low	131 Å²	131	121.5 Å²	121.5	57%	0.57	67%	0.672	S	S	*	*			trans	-176.1	66.1	130.6	-100	163.7	-176.5	175.6	0	118.1	K654 S656	K654-K808 VanDerWaalsContact CE-C 3.47Å; K654-K808 VanDerWaalsContact CE-CB 3.48Å; K654-K808 WeakPolarHBondContact CE-O 3.25Å; K654-K808 PolarHBondContact NZ-O 3.37Å; S656-K808 WeakPolarHBondContact OG-CE 3.01Å; S656-K808 PolarHBondContact OG-NZ 3.34Å
809	T	29.8	Very low	29.9	Very low	77 Å²	77	121.1 Å²	121.1	47%	0.472	67%	0.672	S	S	.	*				40.1	136.9	127.1	33.2	0	0	0	0	125.6	K654	K654-T809 WeakPolarHBondContact CE-O 3.5Å; K654-T809 WeakPolarHBondContact CE-OG1 3.5Å; K654-T809 WeakPolarHBondContact CG-OG1 3.21Å; K654-T809 PolarHBondContact NZ-O 3.07Å
810	I	30.1	Very low	29.7	Very low	81 Å²	81	120 Å²	120	42%	0.415	67%	0.669	S	S	.	*			trans	78.4	139.4	136.3	-65.1	164.6	0	0	0	119.6	S652 K653	S652-I810 WeakPolarHBondContact OG-CG2 3.34Å; K653-I810 HydrophobicContact CD-CG2 4.19Å; K653-I810 WeakPolarHBondContact CE-O 3.18Å; K653-I810 HydrophobicContact CG-CB 4.4Å; K653-I810 HydrophobicContact CG-CG2 3.65Å; K653-I810 PolarHBondContact NZ-O 3.05Å
811	P	37.1	Very low	29.7	Very low	69 Å²	69	119.5 Å²	119.5	45%	0.448	67%	0.67	S	S	.	*			cis	-153.4	-153.9	-29.2	46.4	-24.4	0	0	0	115.4
812	N	31.9	Very low	29.9	Very low	85 Å²	85	119.4 Å²	119.4	46%	0.455	67%	0.67	S	S	.	*			trans	72.1	152.8	149.2	-72.2	12.5	0	0	0	119.4
813	N	30.6	Very low	29.7	Very low	88 Å²	88	117.2 Å²	117.2	47%	0.471	66%	0.664	S	S	.	*			cis	-156.7	174	4.7	-132.2	27.8	0	0	0	112.9
814	N	33.6	Very low	29.7	Very low	119 Å²	119	122.5 Å²	122.5	64%	0.636	68%	0.676	S	S	*	*			trans	70.6	150.2	162.9	-59.5	17.3	0	0	0	116.5
815	E	32.9	Very low	29.5	Very low	154 Å²	154	122.8 Å²	122.8	72%	0.72	68%	0.677	S	S	*	*			cis	-155.9	137.6	-3.8	-124.7	157.7	-133.1	0	0	113.6
816	Q	29.9	Very low	29.6	Very low	180 Å²	180	125.9 Å²	125.9	84%	0.841	69%	0.686	S	S	*	*			trans	42.3	150.3	144.8	-70.6	-76.2	-37.6	0	0	124.8
817	P	30.4	Very low	29.3	Very low	103 Å²	103	124 Å²	124	67%	0.669	68%	0.684	S	S	*	*			trans	-116	163.9	-177	42.3	-30.4	0	0	0	115.9
818	I	30.5	Very low	29.1	Very low	168 Å²	168	123.8 Å²	123.8	86%	0.862	69%	0.686	S	S	*	*			trans	-139.5	139.5	168.3	-59.5	-177.8	0	0	0	110.3
819	P	29.2	Very low	29	Very low	109 Å²	109	125 Å²	125	71%	0.708	70%	0.699	S	S	*	*			trans	-109.8	174.5	-172.5	41.4	-36.4	0	0	0	116.4
820	S	25.4	Very low	28.8	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	71%	0.713	S	S	*	*			trans	88.7	155.6	146.9	82.9	0	0	0	0	121.8
821	S	28	Very low	28.8	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	73%	0.733	S	S	*	*			trans	105.7	124.4	153.1	76.3	0	0	0	0	121.4
822	T	28.6	Very low	28.1	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	75%	0.749	S	S	*	*			trans	58.9	97.1	145.7	47.5	0	0	0	0	122.5
823	V	24.5	Very low	27.9	Very low	130 Å²	130	139 Å²	139	79%	0.788	77%	0.768	S	S	*	*				40.2	118.4	107.8	-179.6	0	0	0	0	118.4
824	K	27.9	Very low	27.7	Very low	205 Å²	205	140.1 Å²	140.1	89%	0.891	78%	0.782	S	S	*	*				-158.3	137.9	124.8	-110.9	166	-173.8	177.3	0	111.9
825	Q	24.4	Very low	27.5	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	79%	0.786	S	S	*	*			trans	-77.1	156.9	164.5	-64.9	162	-75.3	0	0	109.5
826	N	28.1	Very low	27.4	Very low	173 Å²	173	138.7 Å²	138.7	93%	0.925	79%	0.793	S	S	*	*			trans	-158	150.9	141.4	-100.4	-7.5	0	0	0	108.6
827	S	23.1	Very low	27.6	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	79%	0.787	S	S	*	*			trans	-132.2	170.7	-174.9	54.4	0	0	0	0	110.5
828	C	25.5	Very low	27.5	Very low	110 Å²	110	137.7 Å²	137.7	74%	0.743	79%	0.794	S	S	*	*			trans	72.3	153.7	-178.5	-49.9	0	0	0	0	112.3
829	D	28.6	Very low	27.5	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	79%	0.79	S	S	*	*			cis	-124.1	165.9	30.1	-69.1	-45.3	0	0	0	116.8
830	I	24.1	Very low	27.5	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	79%	0.787	S	S	*	*			trans	-100.1	149	172.9	-65.3	167.4	0	0	0	108.8	E832	I830-E832 HydrophobicContact CG2-CG 4.12Å
831	I	30.2	Very low	27.4	Very low	162 Å²	162	139.1 Å²	139.1	83%	0.831	79%	0.786	S	S	*	*			trans	-126.8	108.4	163.8	-59.6	179.7	0	0	0	108.8
832	E	23.4	Very low	27.2	Very low	171 Å²	171	142.2 Å²	142.2	80%	0.799	79%	0.786	S	S	*	*			trans	-85.1	166.1	167.5	-65.8	-173.9	117.7	0	0	111.5	I830	I830-E832 HydrophobicContact CG2-CG 4.12Å
833	C	27.7	Very low	27	Very low	124 Å²	124	142.3 Å²	142.3	84%	0.838	78%	0.782	S	S	*	*			trans	-138.2	98.2	161.7	-83.1	0	0	0	0	110.9
834	S	25.9	Very low	27	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	77%	0.773	S	S	*	*			trans	-45.9	165.7	161.1	54.1	0	0	0	0	115.3
835	S	29.3	Very low	26.8	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	77%	0.766	S	S	*	*			cis	172.5	150.8	-16.5	58.1	0	0	0	0	109.2
836	T	30.8	Very low	26.8	Very low	142 Å²	142	135.3 Å²	135.3	87%	0.871	76%	0.756	S	S	*	*			trans	-170.8	135.8	151.9	33	0	0	0	0	112.1
837	P	34.3	Very low	26.7	Very low	109 Å²	109	134 Å²	134	71%	0.708	76%	0.755	S	S	*	*			trans	-119.4	176	176	41.9	-32.5	0	0	0	115.5
838	N	27.6	Very low	26.8	Very low	152 Å²	152	138 Å²	138	81%	0.813	76%	0.759	S	S	*	*			trans	72.2	144.4	170.1	-56.1	-14	0	0	0	115.6
839	E	30.9	Very low	26.8	Very low	168 Å²	168	140.2 Å²	140.2	79%	0.785	76%	0.762	S	S	*	*			cis	-138.1	-161.6	0.9	-66.6	-167.9	-177.3	0	0	109.9
840	T	28.9	Very low	26.6	Very low	106 Å²	106	140 Å²	140	65%	0.65	76%	0.761	S	S	*	*			cis	-147.3	121.9	1.3	-45.6	0	0	0	0	113.3
841	I	23.7	Very low	26.6	Very low	142 Å²	142	138.8 Å²	138.8	73%	0.728	77%	0.766	S	S	*	*			trans	4.4	113	140.9	-61.1	167.4	0	0	0	118.5
842	K	24.3	Very low	26.3	Very low	169 Å²	169	137.1 Å²	137.1	74%	0.735	76%	0.763	S	S	*	*				162	148.5	107.6	-113.4	164.5	-173.9	176.6	0	117.6
843	D	24.9	Very low	26.5	Very low	127 Å²	127	136.8 Å²	136.8	68%	0.679	77%	0.766	S	S	*	*			trans	50.9	141.8	141.8	-63.3	-22.5	0	0	0	122.7
844	C	23.9	Very low	26.3	Very low	89 Å²	89	139.3 Å²	139.3	60%	0.601	77%	0.771	S	S	*	*			cis	-163.6	135.7	-19	-123.4	0	0	0	0	112.6
845	Q	24.3	Very low	26.3	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.734	77%	0.768	S	S	*	*			trans	56.7	139	140.3	-65.3	-176.6	30.7	0	0	124.3
846	N	24.2	Very low	26.1	Very low	118 Å²	118	143.9 Å²	143.9	63%	0.631	78%	0.778	S	S	*	*			trans	75.4	91.4	146.9	-65	-37.9	0	0	0	120.7
847	T	26.1	Very low	25.9	Very low	145 Å²	145	143.8 Å²	143.8	89%	0.89	77%	0.772	S	S	*	*				-119.2	128.2	122.3	47.8	0	0	0	0	109.5
848	K	24.7	Very low	25.5	Very low	187 Å²	187	148.2 Å²	148.2	81%	0.813	78%	0.78	S	S	*	*			trans	-110.8	121.2	176.4	-88	-176.4	175.7	176.3	0	109.8
849	I	25.8	Very low	25.5	Very low	157 Å²	157	148.5 Å²	148.5	81%	0.805	78%	0.78	S	S	*	*			trans	-130.2	99.1	163.2	-58.8	-176.6	0	0	0	109.4
850	N	24.7	Very low	25.2	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	78%	0.778	S	S	*	*			trans	43.5	79.3	153.8	-59.8	-20	0	0	0	119.1	T852	N850-T852 PolarHBondContact O-N 2.92Å
851	S	23.9	Very low	25.1	Very low	123 Å²	123	147.1 Å²	147.1	86%	0.86	77%	0.774	S	S	*	*			trans	-77.1	111.2	159.3	44.4	0	0	0	0	112.2
852	T	23.7	Very low	25.3	Very low	127 Å²	127	151.8 Å²	151.8	78%	0.779	78%	0.782	S	S	*	*			trans	-144.9	156.3	156.2	44.2	0	0	0	0	109.5	N850	N850-T852 PolarHBondContact O-N 2.92Å
853	L	26.7	Very low	25.7	Very low	165 Å²	165	149.2 Å²	149.2	86%	0.864	78%	0.776	S	S	*	*			trans	70.8	43.6	179.5	-60.9	165.6	0	0	0	116.9
854	L	23.9	Very low	25.9	Very low	177 Å²	177	148.3 Å²	148.3	93%	0.927	78%	0.777	S	S	*	*			trans	-90.8	107.5	135	-95.1	164	0	0	0	107.2
855	N	25.6	Very low	26.2	Very low	137 Å²	137	151.9 Å²	151.9	73%	0.733	79%	0.785	S	S	*	*			trans	-152.3	141.6	174.1	-121.4	9.5	0	0	0	109.3	D857	N855-D857 PolarHBondContact O-N 3.14Å
856	N	25.5	Very low	26.5	Very low	171 Å²	171	151.9 Å²	151.9	91%	0.914	79%	0.785	S	S	*	*			trans	-80.8	83.5	-172	-65.1	-32	0	0	0	112.4
857	D	25.7	Very low	26.8	Very low	141 Å²	141	155 Å²	155	75%	0.754	79%	0.793	S	S	*	*			trans	-95.4	112.8	170.7	-86.9	-32.9	0	0	0	111.4	N855 I859	N855-D857 PolarHBondContact O-N 3.14Å; D857-I859 PolarHBondContact O-N 2.92Å
858	K	26.3	Very low	27	Very low	201 Å²	201	152.4 Å²	152.4	87%	0.874	77%	0.773	S	S	*	*			trans	-62.9	106.9	164.4	-73.8	-177.3	177.4	-179.8	0	108.3	Q860	K858-Q860 PolarHBondContact O-N 3.05Å
859	I	26.8	Very low	27.3	Very low	158 Å²	158	147.8 Å²	147.8	81%	0.81	76%	0.763	S	S	*	*			trans	-70	87.9	-173.4	-52.7	-179.5	0	0	0	110.8	D857	D857-I859 PolarHBondContact O-N 2.92Å
860	Q	26.2	Very low	27.8	Very low	160 Å²	160	143.8 Å²	143.8	75%	0.748	74%	0.739	S	S	*	*			trans	-67.5	143.9	170.2	-70.9	-161.8	-2.4	0	0	111.4	K858 R862	K858-Q860 PolarHBondContact O-N 3.05Å; Q860-R862 PolarHBondContact O-N 3.26Å; Q860-R862 VanDerWaalsContact O-N 3.1Å
861	P	26.7	Very low	28.5	Very low	85 Å²	85	141 Å²	141	55%	0.552	72%	0.724	S	S	*	*			trans	-67.7	108.7	179.4	27.4	-34	0	0	0	111.3	L863	P861-L863 PolarHBondContact O-N 3.23Å
862	R	27.4	Very low	29.3	Very low	240 Å²	240	140 Å²	140	91%	0.906	71%	0.707	S	S	*	*			trans	-76.1	108.7	170.6	-72.2	-174	176	176.8	2.3	110	Q860	Q860-R862 PolarHBondContact O-N 3.26Å; Q860-R862 VanDerWaalsContact O-N 3.1Å
863	L	32	Very low	30.2	Very low	115 Å²	115	138 Å²	138	60%	0.602	69%	0.69	S	S	*	*			trans	-58.8	136.3	173.2	-76.1	98.7	0	0	0	111.6	P861 Q865	P861-L863 PolarHBondContact O-N 3.23Å; L863-Q865 PolarHBondContact O-N 2.79Å
864	P	28.9	Very low	31	Very low	109 Å²	109	133.4 Å²	133.4	71%	0.708	67%	0.666	S	S	*	*			trans	-59.2	125.2	165.4	-21.8	33.6	0	0	0	110.6	Q866	P864-Q866 PolarHBondContact O-N 3.13Å
865	Q	31.6	Very low	32	Very low	164 Å²	164	127.5 Å²	127.5	77%	0.766	64%	0.635	S	S	*	*			trans	-88.6	9.9	-169.4	-67.9	-171	-20.6	0	0	115.3	L863	L863-Q865 PolarHBondContact O-N 2.79Å
866	Q	29.6	Very low	32.8	Very low	157 Å²	157	126 Å²	126	73%	0.734	62%	0.624	S	S	*	*	S	Bend	trans	-118.6	135.9	-168.2	-63	-178.6	-1.3	0	0	111.5	P864	P864-Q866 PolarHBondContact O-N 3.13Å
867	F	30.5	Very low	33.9	Very low	183 Å²	183	119.5 Å²	119.5	80%	0.803	59%	0.589	S	S	*	*			trans	67.6	87.8	179.9	-48.7	-78.1	0	0	0	116.2
868	L	30.1	Very low	34.9	Very low	90 Å²	90	120 Å²	120	47%	0.471	58%	0.581	S	S	.	*			trans	-139.4	133	157.2	-77.8	177.8	0	0	0	110.2	F870 L875	L868-F870 PolarHBondContact O-N 2.87Å; L868-F870 VanDerWaalsContact O-N 3.09Å; L868-L875 HydrophobicContact CD1-CD2 3.91Å
869	P	31.7	Very low	35.9	Very low	91 Å²	91	113 Å²	113	59%	0.591	56%	0.555	S	S	*	*	S	Bend	trans	-84.6	30.1	-173.8	35.6	-37.7	0	0	0	114.3
870	F	36.1	Very low	36.8	Very low	72 Å²	72	107 Å²	107	32%	0.316	53%	0.528	S	S	.	.	S	Bend	trans	-123.6	160	178	-64.3	-76.5	0	0	0	111	P116 S541 L868 Q872	P116-F870 HydrophobicContact CB-CE1 4.37Å; P116-F870 HydrophobicContact CG-CE1 4.49Å; S541-F870 WeakPolarHBondContact OG-CE2 3.35Å; S541-F870 WeakPolarHBondContact OG-CZ 2.98Å; L868-F870 PolarHBondContact O-N 2.87Å; L868-F870 VanDerWaalsContact O-N 3.09Å; F870-Q872 PolarHBondContact O-N 3.17Å
871	N	40.4	Very low	37.7	Very low	94 Å²	94	104.4 Å²	104.4	50%	0.503	52%	0.516	S	S	.	.			trans	-66.4	104	169.1	-171.1	6.5	0	0	0	108.8	I873 D874	N871-I873 PolarHBondContact O-N 3.34Å; N871-D874 PolarHBondContact O-N 2.95Å
872	Q	39.8	Very low	38.5	Very low	104 Å²	104	103.4 Å²	103.4	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-47.4	-37	-168.9	-169.7	174.5	14.3	0	0	113.5	F870 D874 L875 Q876	F870-Q872 PolarHBondContact O-N 3.17Å; Q872-D874 PolarHBondContact O-N 3.11Å; Q872-L875 PolarHBondContact O-N 2.6Å; Q872-Q876 WeakPolarHBondContact O-CB 3.42Å; Q872-Q876 VanDerWaalsContact O-CG 3.31Å; Q872-Q876 WeakPolarHBondContact O-CG 3.34Å; Q872-Q876 PolarHBondContact O-N 3.23Å
873	I	42.5	Very low	39.4	Very low	83 Å²	83	99.5 Å²	99.5	43%	0.426	49%	0.491	S	S	.	.	H	α-helix	trans	-57.4	-41.4	177.2	-62.9	167.3	0	0	0	112.5	N871 Q876 L877	N871-I873 PolarHBondContact O-N 3.34Å; I873-Q876 PolarHBondContact O-N 3.41Å; I873-L877 HydrophobicContact CG2-CD1 3.79Å; I873-L877 HydrophobicContact CG2-CG 4.36Å; I873-L877 WeakPolarHBondContact O-CB 3.24Å; I873-L877 VanDerWaalsContact O-CG 3.24Å; I873-L877 WeakPolarHBondContact O-CG 3.48Å; I873-L877 PolarHBondContact O-N 3.08Å
874	D	44.4	Very low	39.9	Very low	69 Å²	69	95.4 Å²	95.4	37%	0.369	47%	0.471	S	S	.	.	H	α-helix	trans	-80.8	-25.1	-172.5	-66.4	-16.2	0	0	0	112.3	N871 Q872 R878 R914	N871-D874 PolarHBondContact O-N 2.95Å; Q872-D874 PolarHBondContact O-N 3.11Å; D874-R878 WeakPolarHBondContact O-CG 3.25Å; D874-R878 PolarHBondContact O-N 3.27Å; D874-R914 IonicContact OD1-CZ 3.11Å; D874-R914 VanDerWaalsContact OD1-CZ 3.24Å; D874-R914 IonicContact OD1-NH1 3.9Å; D874-R914 PolarHBondContact OD1-NH1 2.98Å; D874-R914 IonicContact OD1-NH2 3.46Å; D874-R914 PolarHBondContact OD1-NH2 3.14Å; D874-R914 IonicContact OD2-NH2 3.01Å
875	L	43.8	Very low	40.7	Very low	53 Å²	53	93.8 Å²	93.8	28%	0.277	46%	0.457	S	S	.	.	H	α-helix	trans	-74.5	-46.4	167.5	-171.6	69.3	0	0	0	110.4	L868 Q872 L877 R878 V879	L868-L875 HydrophobicContact CD1-CD2 3.91Å; Q872-L875 PolarHBondContact O-N 2.6Å; L875-L877 VanDerWaalsContact C-N 3.31Å; L875-L877 PolarHBondContact O-N 3.38Å; L875-R878 PolarHBondContact O-N 3.02Å; L875-V879 HydrophobicContact CG-CG2 4.49Å; L875-V879 WeakPolarHBondContact O-CG2 3.45Å; L875-V879 PolarHBondContact O-N 2.84Å
876	Q	43.1	Very low	41.4	Very low	106 Å²	106	89.8 Å²	89.8	50%	0.495	44%	0.435	S	S	.	.	H	α-helix	trans	-57.4	-41.5	175.6	-77.1	174.2	-25.8	0	0	112.3	Q872 I873 A880	Q872-Q876 WeakPolarHBondContact O-CB 3.42Å; Q872-Q876 VanDerWaalsContact O-CG 3.31Å; Q872-Q876 WeakPolarHBondContact O-CG 3.34Å; Q872-Q876 PolarHBondContact O-N 3.23Å; I873-Q876 PolarHBondContact O-N 3.41Å; Q876-A880 WeakPolarHBondContact O-CB 3.3Å; Q876-A880 PolarHBondContact O-N 3.33Å
877	L	47.5	Very low	42	Very low	35 Å²	35	83.9 Å²	83.9	18%	0.183	41%	0.413	C	S	.	.	H	α-helix	trans	-65.6	-39.5	176.2	-77.6	168	0	0	0	112.8	I873 L875 Q881 I907	I873-L877 HydrophobicContact CG2-CD1 3.79Å; I873-L877 HydrophobicContact CG2-CG 4.36Å; I873-L877 WeakPolarHBondContact O-CB 3.24Å; I873-L877 VanDerWaalsContact O-CG 3.24Å; I873-L877 WeakPolarHBondContact O-CG 3.48Å; I873-L877 PolarHBondContact O-N 3.08Å; L875-L877 VanDerWaalsContact C-N 3.31Å; L875-L877 PolarHBondContact O-N 3.38Å; L877-Q881 VanDerWaalsContact O-CB 3.24Å; L877-Q881 WeakPolarHBondContact O-CB 3.5Å; L877-Q881 PolarHBondContact O-N 2.79Å; L877-I907 HydrophobicContact CD2-CG1 4.4Å; L877-I907 HydrophobicContact CD2-CG2 4.3Å
878	R	46.9	Very low	42.5	Very low	152 Å²	152	80.3 Å²	80.3	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-69.8	-42.1	176.4	-73.9	-175.6	-176.6	-157.1	4.2	112.3	D874 L875 Q881 N882	D874-R878 WeakPolarHBondContact O-CG 3.25Å; D874-R878 PolarHBondContact O-N 3.27Å; L875-R878 PolarHBondContact O-N 3.02Å; R878-Q881 PolarHBondContact O-N 3.35Å; R878-N882 PolarHBondContact O-N 2.83Å
879	V	48.3	Very low	42.9	Very low	54 Å²	54	82.7 Å²	82.7	33%	0.327	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-47.5	174.5	168.5	0	0	0	0	110.5	W547 L875 Q881 N882 W883	W547-V879 HydrophobicContact CH2-CG1 3.56Å; W547-V879 HydrophobicContact CH2-CG2 4.3Å; W547-V879 HydrophobicContact CZ2-CG1 3.7Å; L875-V879 HydrophobicContact CG-CG2 4.49Å; L875-V879 WeakPolarHBondContact O-CG2 3.45Å; L875-V879 PolarHBondContact O-N 2.84Å; V879-Q881 VanDerWaalsContact C-N 3.33Å; V879-Q881 PolarHBondContact O-N 2.76Å; V879-N882 PolarHBondContact O-N 3.07Å; V879-W883 VanDerWaalsContact O-CB 3.31Å; V879-W883 WeakPolarHBondContact O-CB 3.14Å; V879-W883 PolarHBondContact O-N 3.42Å
880	A	44.6	Very low	43.1	Very low	31 Å²	31	80.7 Å²	80.7	26%	0.256	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-39.4	176.2	0	0	0	0	0	112	Q876 W883 V884 I907	Q876-A880 WeakPolarHBondContact O-CB 3.3Å; Q876-A880 PolarHBondContact O-N 3.33Å; A880-W883 PolarHBondContact O-N 3.33Å; A880-V884 WeakPolarHBondContact O-CB 3.31Å; A880-V884 VanDerWaalsContact O-CG2 3.28Å; A880-V884 WeakPolarHBondContact O-CG2 3.35Å; A880-V884 PolarHBondContact O-N 3.3Å; A880-I907 HydrophobicContact CB-CD1 4.39Å
881	Q	45.7	Very low	43.1	Very low	106 Å²	106	83.1 Å²	83.1	50%	0.495	43%	0.432	S	S	.	.	H	α-helix	trans	-72.4	-39.3	179.6	-168.1	153	21.7	0	0	112.7	L877 R878 V879 W883 V884 N885	L877-Q881 VanDerWaalsContact O-CB 3.24Å; L877-Q881 WeakPolarHBondContact O-CB 3.5Å; L877-Q881 PolarHBondContact O-N 2.79Å; R878-Q881 PolarHBondContact O-N 3.35Å; V879-Q881 VanDerWaalsContact C-N 3.33Å; V879-Q881 PolarHBondContact O-N 2.76Å; Q881-W883 VanDerWaalsContact C-N 3.29Å; Q881-W883 PolarHBondContact O-N 3.43Å; Q881-V884 PolarHBondContact O-N 3.08Å; Q881-N885 WeakPolarHBondContact O-CB 3.36Å; Q881-N885 PolarHBondContact O-N 2.91Å; Q881-N885 PolarHBondContact O-OD1 3.2Å; Q881-N885 VanDerWaalsContact O-OD1 3.09Å
882	N	44.3	Very low	42.9	Very low	64 Å²	64	87.2 Å²	87.2	34%	0.342	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-35.2	169.9	-85.7	15.9	0	0	0	112.1	R878 V879 R886	R878-N882 PolarHBondContact O-N 2.83Å; V879-N882 PolarHBondContact O-N 3.07Å; N882-R886 WeakPolarHBondContact O-CG 3.45Å; N882-R886 PolarHBondContact O-N 3.18Å
883	W	45.9	Very low	42.7	Very low	157 Å²	157	86.8 Å²	86.8	60%	0.595	45%	0.448	S	S	*	.	H	α-helix	trans	-69.9	-43.2	176.3	-174.8	82.1	0	0	0	112.1	V879 A880 Q881 R886 A887	V879-W883 VanDerWaalsContact O-CB 3.31Å; V879-W883 WeakPolarHBondContact O-CB 3.14Å; V879-W883 PolarHBondContact O-N 3.42Å; A880-W883 PolarHBondContact O-N 3.33Å; Q881-W883 VanDerWaalsContact C-N 3.29Å; Q881-W883 PolarHBondContact O-N 3.43Å; W883-R886 PolarHBondContact O-N 2.92Å; W883-A887 WeakPolarHBondContact O-CB 3.34Å; W883-A887 PolarHBondContact O-N 3.42Å
884	V	42.9	Very low	42.1	Very low	30 Å²	30	90.9 Å²	90.9	18%	0.182	47%	0.471	C	S	.	.	H	α-helix	trans	-61.3	-47.6	174.3	164.1	0	0	0	0	111.1	A880 Q881 R886 A887 C888 L904	A880-V884 WeakPolarHBondContact O-CB 3.31Å; A880-V884 VanDerWaalsContact O-CG2 3.28Å; A880-V884 WeakPolarHBondContact O-CG2 3.35Å; A880-V884 PolarHBondContact O-N 3.3Å; Q881-V884 PolarHBondContact O-N 3.08Å; V884-R886 VanDerWaalsContact C-N 3.34Å; V884-R886 PolarHBondContact O-N 3.2Å; V884-A887 PolarHBondContact O-N 3.44Å; V884-C888 PolarHBondContact O-N 2.91Å; V884-C888 PolarHBondContact O-SG 3.42Å; V884-L904 HydrophobicContact CB-CD2 4.41Å; V884-L904 HydrophobicContact CG1-CD2 3.66Å; V884-L904 HydrophobicContact CG2-CD2 3.77Å
885	N	45.7	Very low	41.7	Very low	74 Å²	74	91.1 Å²	91.1	40%	0.396	49%	0.49	S	S	.	.	H	α-helix	trans	-55.9	-49.6	177.5	-69.3	7.9	0	0	0	110.9	Q881 A887 C888 E889	Q881-N885 WeakPolarHBondContact O-CB 3.36Å; Q881-N885 PolarHBondContact O-N 2.91Å; Q881-N885 PolarHBondContact O-OD1 3.2Å; Q881-N885 VanDerWaalsContact O-OD1 3.09Å; N885-A887 VanDerWaalsContact C-N 3.35Å; N885-A887 PolarHBondContact O-N 3.47Å; N885-C888 PolarHBondContact O-N 3.41Å; N885-C888 VanDerWaalsContact O-N 3.12Å; N885-E889 VanDerWaalsContact O-CG 3.29Å; N885-E889 WeakPolarHBondContact O-CG 3.35Å; N885-E889 PolarHBondContact O-N 2.86Å
886	R	45.2	Very low	41.3	Very low	81 Å²	81	93.2 Å²	93.2	31%	0.306	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-34.3	177.6	-74.2	-178.6	-179.5	159.9	6.3	114	W547 N882 W883 V884 C888 E889 S890	W547-R886 PolarHBondContact O-NH1 2.94Å; N882-R886 WeakPolarHBondContact O-CG 3.45Å; N882-R886 PolarHBondContact O-N 3.18Å; W883-R886 PolarHBondContact O-N 2.92Å; V884-R886 VanDerWaalsContact C-N 3.34Å; V884-R886 PolarHBondContact O-N 3.2Å; R886-C888 VanDerWaalsContact C-N 3.29Å; R886-E889 PolarHBondContact O-N 3.42Å; R886-S890 PolarHBondContact O-N 3.46Å; R886-S890 PolarHBondContact O-OG 3.28Å
887	A	42.3	Very low	41.4	Very low	33 Å²	33	94.1 Å²	94.1	27%	0.273	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-27.1	175.2	0	0	0	0	0	112.6	W883 V884 N885 S890	W883-A887 WeakPolarHBondContact O-CB 3.34Å; W883-A887 PolarHBondContact O-N 3.42Å; V884-A887 PolarHBondContact O-N 3.44Å; N885-A887 VanDerWaalsContact C-N 3.35Å; N885-A887 PolarHBondContact O-N 3.47Å; A887-S890 PolarHBondContact O-OG 3.15Å; A887-S890 VanDerWaalsContact O-OG 3.09Å
888	C	41	Very low	40.9	Very low	108 Å²	108	97.6 Å²	97.6	73%	0.73	52%	0.524	S	S	*	.	H	α-helix	trans	-81.6	-30.3	170.5	-65.3	0	0	0	0	112.9	V884 N885 R886	V884-C888 PolarHBondContact O-N 2.91Å; V884-C888 PolarHBondContact O-SG 3.42Å; N885-C888 PolarHBondContact O-N 3.41Å; N885-C888 VanDerWaalsContact O-N 3.12Å; R886-C888 VanDerWaalsContact C-N 3.29Å
889	E	39.5	Very low	40.4	Very low	139 Å²	139	93.1 Å²	93.1	65%	0.65	52%	0.52	S	S	*	.	H	α-helix	trans	-71.2	-28.2	173.7	-69.4	155.6	-164.3	0	0	112.1	N885 R886 S891	N885-E889 VanDerWaalsContact O-CG 3.29Å; N885-E889 WeakPolarHBondContact O-CG 3.35Å; N885-E889 PolarHBondContact O-N 2.86Å; R886-E889 PolarHBondContact O-N 3.42Å; E889-S891 PolarHBondContact O-N 3.09Å
890	S	34.8	Very low	40.3	Very low	50 Å²	50	93 Å²	93	35%	0.35	52%	0.517	S	S	.	.			trans	-80.6	100.2	176.3	60.2	0	0	0	0	112.6	R886 A887 Q892	R886-S890 PolarHBondContact O-N 3.46Å; R886-S890 PolarHBondContact O-OG 3.28Å; A887-S890 PolarHBondContact O-OG 3.15Å; A887-S890 VanDerWaalsContact O-OG 3.09Å; S890-Q892 PolarHBondContact O-N 3.45Å
891	S	37.4	Very low	40.3	Very low	123 Å²	123	98.4 Å²	98.4	86%	0.86	54%	0.535	S	S	*	.	S	Bend	trans	-72.8	48.1	176.8	66.3	0	0	0	0	114	E889	E889-S891 PolarHBondContact O-N 3.09Å
892	Q	35.5	Very low	40.1	Very low	179 Å²	179	101.3 Å²	101.3	84%	0.836	54%	0.542	S	S	*	.			trans	-144.9	17.4	-168.1	-99.8	-171.5	-7.6	0	0	114.8	S890	S890-Q892 PolarHBondContact O-N 3.45Å
893	I	36.3	Very low	40.2	Very low	96 Å²	96	102.4 Å²	102.4	49%	0.492	55%	0.547	S	S	.	.			trans	-126.7	79	-177.8	-45.6	-179.3	0	0	0	111.5	L896	I893-L896 HydrophobicContact CG2-CD1 3.83Å
894	D	29	Very low	40.2	Very low	168 Å²	168	97.9 Å²	97.9	90%	0.898	53%	0.534	S	S	*	.			trans	-65	144.2	157.3	-76.6	-51.8	0	0	0	110.4
895	G	36.1	Very low	40.4	Very low	74 Å²	74	99.7 Å²	99.7	76%	0.763	55%	0.548	S	S	*	.			trans	85	42.3	173	0	0	0	0	0	116	D897	G895-D897 PolarHBondContact O-N 2.85Å
896	L	35.9	Very low	40.3	Very low	98 Å²	98	98.3 Å²	98.3	51%	0.513	55%	0.547	S	S	.	.			trans	-76.7	100.9	175.5	-147.6	81.2	0	0	0	112.2	I893 N900	I893-L896 HydrophobicContact CG2-CD1 3.83Å; L896-N900 HydrophobicContact CD2-CB 3.99Å; L896-N900 HydrophobicContact CG-CB 4.06Å
897	D	45	Very low	40.5	Very low	124 Å²	124	96.1 Å²	96.1	66%	0.663	54%	0.541	S	S	*	.			trans	-53.5	149.1	-177.8	-93.5	-37.8	0	0	0	115.4	G895 A899 N900	G895-D897 PolarHBondContact O-N 2.85Å; D897-A899 PolarHBondContact O-N 3.44Å; D897-N900 PolarHBondContact O-N 2.97Å
898	E	36.4	Very low	40.6	Very low	108 Å²	108	100 Å²	100	51%	0.505	55%	0.553	S	S	.	*	H	α-helix	trans	-41.6	-32.8	171.7	171.3	68.9	-177.6	0	0	114.1	N900 F901 R902	E898-N900 VanDerWaalsContact C-N 3.34Å; E898-N900 PolarHBondContact O-N 3.35Å; E898-F901 PolarHBondContact O-N 3.17Å; E898-R902 WeakPolarHBondContact O-CG 3.15Å; E898-R902 PolarHBondContact O-N 3.43Å; E898-R902 IonicContact OE1-CZ 3.73Å; E898-R902 IonicContact OE1-NE 3.83Å; E898-R902 PolarHBondContact OE1-NE 3.27Å; E898-R902 IonicContact OE1-NH2 2.92Å; E898-R902 PolarHBondContact OE1-NH2 3.34Å
899	A	36	Very low	40.8	Very low	59 Å²	59	97.4 Å²	97.4	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-60.1	-40.6	176.7	0	0	0	0	0	112.8	D897 R902 I903	D897-A899 PolarHBondContact O-N 3.44Å; A899-R902 PolarHBondContact O-N 3.13Å; A899-I903 WeakPolarHBondContact O-CG1 3.28Å; A899-I903 PolarHBondContact O-N 3.18Å; A899-I903 VanDerWaalsContact O-N 3.08Å
900	N	46.6	Very low	41.1	Very low	51 Å²	51	93.5 Å²	93.5	27%	0.273	52%	0.522	S	S	.	.	H	α-helix	trans	-71.3	-37.4	178.3	-71.1	-30	0	0	0	111.2	L896 D897 E898 R902 I903 L904	L896-N900 HydrophobicContact CD2-CB 3.99Å; L896-N900 HydrophobicContact CG-CB 4.06Å; D897-N900 PolarHBondContact O-N 2.97Å; E898-N900 VanDerWaalsContact C-N 3.34Å; E898-N900 PolarHBondContact O-N 3.35Å; N900-R902 VanDerWaalsContact C-N 3.29Å; N900-R902 PolarHBondContact O-N 3.17Å; N900-I903 PolarHBondContact O-N 3.18Å; N900-I903 VanDerWaalsContact O-N 3.15Å; N900-L904 WeakPolarHBondContact O-CG 3.42Å; N900-L904 PolarHBondContact O-N 2.82Å
901	F	45.4	Very low	41.5	Very low	145 Å²	145	93.8 Å²	93.8	64%	0.636	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-38.8	174	-135.7	-79.2	0	0	0	112	E898 L904 S905	E898-F901 PolarHBondContact O-N 3.17Å; F901-L904 PolarHBondContact O-N 2.79Å; F901-S905 PolarHBondContact O-N 2.93Å
902	R	40.4	Very low	41.9	Very low	166 Å²	166	92.3 Å²	92.3	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-68.8	-34.8	173.8	-69.2	177.8	-174.9	-159.3	2.8	113.2	E898 A899 N900 A906	E898-R902 WeakPolarHBondContact O-CG 3.15Å; E898-R902 PolarHBondContact O-N 3.43Å; E898-R902 IonicContact OE1-CZ 3.73Å; E898-R902 IonicContact OE1-NE 3.83Å; E898-R902 PolarHBondContact OE1-NE 3.27Å; E898-R902 IonicContact OE1-NH2 2.92Å; E898-R902 PolarHBondContact OE1-NH2 3.34Å; A899-R902 PolarHBondContact O-N 3.13Å; N900-R902 VanDerWaalsContact C-N 3.29Å; N900-R902 PolarHBondContact O-N 3.17Å; R902-A906 WeakPolarHBondContact O-CB 3.37Å; R902-A906 PolarHBondContact O-N 3.29Å
903	I	47.9	Very low	42.2	Very low	88 Å²	88	87.9 Å²	87.9	45%	0.451	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-43.7	173.4	-70	164.6	0	0	0	110.7	A899 N900 A906 I907	A899-I903 WeakPolarHBondContact O-CG1 3.28Å; A899-I903 PolarHBondContact O-N 3.18Å; A899-I903 VanDerWaalsContact O-N 3.08Å; N900-I903 PolarHBondContact O-N 3.18Å; N900-I903 VanDerWaalsContact O-N 3.15Å; I903-A906 WeakPolarHBondContact O-CB 3.44Å; I903-A906 PolarHBondContact O-N 3.33Å; I903-I907 HydrophobicContact CG2-CD1 3.95Å; I903-I907 WeakPolarHBondContact O-CG1 3.33Å; I903-I907 PolarHBondContact O-N 3.48Å
904	L	45.1	Very low	42.2	Very low	61 Å²	61	87.8 Å²	87.8	32%	0.319	48%	0.475	S	S	.	.	H	α-helix	trans	-59.4	-49.1	174.7	-69.1	168.8	0	0	0	111.4	V884 N900 F901 A906 I907 E908	V884-L904 HydrophobicContact CB-CD2 4.41Å; V884-L904 HydrophobicContact CG1-CD2 3.66Å; V884-L904 HydrophobicContact CG2-CD2 3.77Å; N900-L904 WeakPolarHBondContact O-CG 3.42Å; N900-L904 PolarHBondContact O-N 2.82Å; F901-L904 PolarHBondContact O-N 2.79Å; L904-A906 VanDerWaalsContact C-N 3.29Å; L904-A906 PolarHBondContact O-N 2.9Å; L904-I907 PolarHBondContact O-N 2.78Å; L904-I907 VanDerWaalsContact O-N 3.07Å; L904-E908 PolarHBondContact O-N 3.29Å
905	S	47.1	Very low	42.7	Very low	68 Å²	68	83.5 Å²	83.5	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-33.7	176.7	-169.4	0	0	0	0	113.2	F901 S909	F901-S905 PolarHBondContact O-N 2.93Å; S905-S909 WeakPolarHBondContact O-CB 3.15Å; S905-S909 PolarHBondContact O-N 3.33Å; S905-S909 PolarHBondContact O-OG 3.22Å
906	A	43.6	Very low	42.7	Very low	45 Å²	45	88.9 Å²	88.9	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-38.4	172.8	0	0	0	0	0	112.6	R902 I903 L904 S909 V910	R902-A906 WeakPolarHBondContact O-CB 3.37Å; R902-A906 PolarHBondContact O-N 3.29Å; I903-A906 WeakPolarHBondContact O-CB 3.44Å; I903-A906 PolarHBondContact O-N 3.33Å; L904-A906 VanDerWaalsContact C-N 3.29Å; L904-A906 PolarHBondContact O-N 2.9Å; A906-S909 WeakPolarHBondContact CA-OG 3.41Å; A906-S909 PolarHBondContact O-OG 3.46Å; A906-V910 WeakPolarHBondContact O-CB 2.97Å; A906-V910 VanDerWaalsContact O-CG2 3.27Å; A906-V910 WeakPolarHBondContact O-CG2 3.22Å; A906-V910 PolarHBondContact O-N 2.9Å; A906-V910 VanDerWaalsContact O-N 3.09Å
907	I	49.1	Very low	42.6	Very low	35 Å²	35	93 Å²	93	18%	0.179	46%	0.462	C	S	.	.	H	α-helix	trans	-69.4	-42.9	176.5	-67.4	165.5	0	0	0	110.8	L877 A880 I903 L904 T911	L877-I907 HydrophobicContact CD2-CG1 4.4Å; L877-I907 HydrophobicContact CD2-CG2 4.3Å; A880-I907 HydrophobicContact CB-CD1 4.39Å; I903-I907 HydrophobicContact CG2-CD1 3.95Å; I903-I907 WeakPolarHBondContact O-CG1 3.33Å; I903-I907 PolarHBondContact O-N 3.48Å; L904-I907 PolarHBondContact O-N 2.78Å; L904-I907 VanDerWaalsContact O-N 3.07Å; I907-T911 WeakPolarHBondContact O-CG2 3.19Å; I907-T911 PolarHBondContact O-N 2.77Å; I907-T911 PolarHBondContact O-OG1 2.89Å
908	E	45	Very low	42.3	Very low	116 Å²	116	97.8 Å²	97.8	54%	0.542	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-49.6	173.8	-75.4	-153.4	108.2	0	0	112.2	L904 V910 T911 Q912	L904-E908 PolarHBondContact O-N 3.29Å; E908-V910 VanDerWaalsContact C-N 3.35Å; E908-V910 PolarHBondContact O-N 2.68Å; E908-T911 WeakPolarHBondContact CA-OG1 3.46Å; E908-T911 PolarHBondContact O-N 3.45Å; E908-T911 PolarHBondContact O-OG1 2.83Å; E908-Q912 WeakPolarHBondContact O-CB 3.37Å; E908-Q912 VanDerWaalsContact O-CG 3.32Å; E908-Q912 WeakPolarHBondContact O-CG 3.42Å; E908-Q912 PolarHBondContact O-N 3.38Å
909	S	44.4	Very low	42.3	Very low	53 Å²	53	103 Å²	103	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-38.5	-179.2	52.4	0	0	0	0	112.4	S905 A906 Q912 I913	S905-S909 WeakPolarHBondContact O-CB 3.15Å; S905-S909 PolarHBondContact O-N 3.33Å; S905-S909 PolarHBondContact O-OG 3.22Å; A906-S909 WeakPolarHBondContact CA-OG 3.41Å; A906-S909 PolarHBondContact O-OG 3.46Å; S909-Q912 PolarHBondContact O-N 2.81Å; S909-I913 WeakPolarHBondContact O-CB 3.35Å; S909-I913 WeakPolarHBondContact O-CD1 3.24Å; S909-I913 WeakPolarHBondContact O-CG1 3.33Å; S909-I913 PolarHBondContact O-N 3.49Å
910	V	46	Very low	42.1	Very low	56 Å²	56	103.4 Å²	103.4	34%	0.339	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-39	173.7	168.1	0	0	0	0	112.4	A906 E908 R914	A906-V910 WeakPolarHBondContact O-CB 2.97Å; A906-V910 VanDerWaalsContact O-CG2 3.27Å; A906-V910 WeakPolarHBondContact O-CG2 3.22Å; A906-V910 PolarHBondContact O-N 2.9Å; A906-V910 VanDerWaalsContact O-N 3.09Å; E908-V910 VanDerWaalsContact C-N 3.35Å; E908-V910 PolarHBondContact O-N 2.68Å; V910-R914 WeakPolarHBondContact O-CB 3.43Å; V910-R914 PolarHBondContact O-N 3.41Å; V910-R914 VanDerWaalsContact O-N 3.1Å
911	T	43.5	Very low	41.5	Very low	57 Å²	57	105.4 Å²	105.4	35%	0.35	51%	0.513	S	S	.	.	H	α-helix	trans	-74.4	-36.1	177.5	52.4	0	0	0	0	112.5	I907 E908 R914 T915	I907-T911 WeakPolarHBondContact O-CG2 3.19Å; I907-T911 PolarHBondContact O-N 2.77Å; I907-T911 PolarHBondContact O-OG1 2.89Å; E908-T911 WeakPolarHBondContact CA-OG1 3.46Å; E908-T911 PolarHBondContact O-N 3.45Å; E908-T911 PolarHBondContact O-OG1 2.83Å; T911-R914 PolarHBondContact O-N 3.38Å; T911-T915 WeakPolarHBondContact O-CG2 3.33Å; T911-T915 PolarHBondContact O-N 2.8Å; T911-T915 PolarHBondContact O-OG1 3.45Å
912	Q	45.1	Very low	40.7	Very low	91 Å²	91	105.9 Å²	105.9	43%	0.425	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-41.7	171	-71.8	-174.1	30.3	0	0	112.3	E908 S909 T915 R916	E908-Q912 WeakPolarHBondContact O-CB 3.37Å; E908-Q912 VanDerWaalsContact O-CG 3.32Å; E908-Q912 WeakPolarHBondContact O-CG 3.42Å; E908-Q912 PolarHBondContact O-N 3.38Å; S909-Q912 PolarHBondContact O-N 2.81Å; Q912-T915 WeakPolarHBondContact CA-OG1 3.17Å; Q912-T915 PolarHBondContact O-N 3.33Å; Q912-T915 PolarHBondContact O-OG1 2.89Å; Q912-R916 WeakPolarHBondContact O-CB 3.27Å; Q912-R916 WeakPolarHBondContact O-CG 3.42Å; Q912-R916 PolarHBondContact O-N 2.82Å
913	I	41.6	Very low	40.3	Very low	86 Å²	86	103.5 Å²	103.5	44%	0.441	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.7	-70.9	164.2	0	0	0	110.9	S909 R917	S909-I913 WeakPolarHBondContact O-CB 3.35Å; S909-I913 WeakPolarHBondContact O-CD1 3.24Å; S909-I913 WeakPolarHBondContact O-CG1 3.33Å; S909-I913 PolarHBondContact O-N 3.49Å; I913-R917 WeakPolarHBondContact O-CB 3.27Å; I913-R917 WeakPolarHBondContact O-CG 3.35Å; I913-R917 PolarHBondContact O-N 3.49Å
914	R	36.3	Very low	39.5	Very low	94 Å²	94	106.9 Å²	106.9	36%	0.355	55%	0.55	S	S	.	*	H	α-helix	trans	-68.9	-31.3	177.2	-82.4	170	152.4	-174.6	-18.1	113.5	D874 V910 T911 R918	D874-R914 IonicContact OD1-CZ 3.11Å; D874-R914 VanDerWaalsContact OD1-CZ 3.24Å; D874-R914 IonicContact OD1-NH1 3.9Å; D874-R914 PolarHBondContact OD1-NH1 2.98Å; D874-R914 IonicContact OD1-NH2 3.46Å; D874-R914 PolarHBondContact OD1-NH2 3.14Å; D874-R914 IonicContact OD2-NH2 3.01Å; V910-R914 WeakPolarHBondContact O-CB 3.43Å; V910-R914 PolarHBondContact O-N 3.41Å; V910-R914 VanDerWaalsContact O-N 3.1Å; T911-R914 PolarHBondContact O-N 3.38Å; R914-R918 PolarHBondContact O-N 3.39Å
915	T	39.9	Very low	38.8	Very low	78 Å²	78	108.6 Å²	108.6	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-78.2	-39.4	174.2	49.1	0	0	0	0	112.4	T911 Q912 R918 R919	T911-T915 WeakPolarHBondContact O-CG2 3.33Å; T911-T915 PolarHBondContact O-N 2.8Å; T911-T915 PolarHBondContact O-OG1 3.45Å; Q912-T915 WeakPolarHBondContact CA-OG1 3.17Å; Q912-T915 PolarHBondContact O-N 3.33Å; Q912-T915 PolarHBondContact O-OG1 2.89Å; T915-R918 PolarHBondContact O-N 2.85Å; T915-R918 VanDerWaalsContact O-N 3.15Å; T915-R919 PolarHBondContact O-N 2.94Å
916	R	36.1	Very low	38	Very low	188 Å²	188	112.3 Å²	112.3	71%	0.709	58%	0.582	S	S	*	*	H	α-helix	trans	-60.8	-46.8	171.6	-75	-179.6	176.2	174.6	1	111.9	Q912 R918 R919 G920	Q912-R916 WeakPolarHBondContact O-CB 3.27Å; Q912-R916 WeakPolarHBondContact O-CG 3.42Å; Q912-R916 PolarHBondContact O-N 2.82Å; R916-R918 PolarHBondContact O-N 3.25Å; R916-R918 VanDerWaalsContact O-N 3.12Å; R916-R919 PolarHBondContact O-N 3.16Å; R916-G920 PolarHBondContact O-N 3.3Å
917	R	34.7	Very low	37.8	Very low	185 Å²	185	117.3 Å²	117.3	70%	0.698	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-12.5	174.4	-77.3	-175.1	173.6	172.6	0.3	114.9	I913	I913-R917 WeakPolarHBondContact O-CB 3.27Å; I913-R917 WeakPolarHBondContact O-CG 3.35Å; I913-R917 PolarHBondContact O-N 3.49Å
918	R	39.1	Very low	37.1	Very low	223 Å²	223	122.8 Å²	122.8	84%	0.842	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-2.9	171.9	-78	-179	169.7	167.3	-1.4	114.1	R914 T915 R916	R914-R918 PolarHBondContact O-N 3.39Å; T915-R918 PolarHBondContact O-N 2.85Å; T915-R918 VanDerWaalsContact O-N 3.15Å; R916-R918 PolarHBondContact O-N 3.25Å; R916-R918 VanDerWaalsContact O-N 3.12Å
919	R	35.2	Very low	36.8	Very low	218 Å²	218	124 Å²	124	82%	0.823	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-24.8	175	-75.7	-178.2	169.9	171.7	-3	113.3	T915 R916 S921	T915-R919 PolarHBondContact O-N 2.94Å; R916-R919 PolarHBondContact O-N 3.16Å; R919-S921 PolarHBondContact O-N 3.18Å
920	G	32.1	Very low	36.5	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	66%	0.658	S	S	*	*	S	Bend	trans	-76.3	41.9	176.2	0	0	0	0	0	115.2	R916	R916-G920 PolarHBondContact O-N 3.3Å
921	S	33.2	Very low	36.2	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	68%	0.676	S	S	*	*	S	Bend	trans	-153.3	46.5	-178.5	-54.8	0	0	0	0	112.3	R919	R919-S921 PolarHBondContact O-N 3.18Å
922	N	28.9	Very low	36	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	69%	0.694	S	S	*	*			trans	-169.4	95.8	163.3	-101	-13.8	0	0	0	109.1
923	S	33.4	Very low	35.7	Very low	117 Å²	117	138 Å²	138	82%	0.818	71%	0.706	S	S	*	*			trans	-155.5	80.2	170.9	55.8	0	0	0	0	109.1
924	N	30.1	Very low	35.5	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	72%	0.722	S	S	*	*			trans	-84	127.5	170.4	-69	3.3	0	0	0	109.4
925	S	31.2	Very low	35.4	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	74%	0.741	S	S	*	*			trans	175	122.9	133.8	53.7	0	0	0	0	109.1
926	N	29.8	Very low	35.2	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	76%	0.755	S	S	*	*			trans	56	128.4	152.5	-42.5	2.5	0	0	0	116
927	D	38.6	Very low	35.1	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	75%	0.751	S	S	*	*				-152.3	167.8	67	-72.9	-34.9	0	0	0	111.5
928	D	35.9	Very low	35.2	Very low	150 Å²	150	137.4 Å²	137.4	80%	0.802	75%	0.754	S	S	*	*			trans	-82.6	-168.1	-175.1	-52.1	-76.6	0	0	0	114.2
929	N	38.5	Very low	35	Very low	141 Å²	141	132.9 Å²	132.9	75%	0.754	75%	0.746	S	S	*	*			trans	110.2	77.5	174.1	-59.1	-77.6	0	0	0	115.8
930	D	38.3	Very low	35.1	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	74%	0.74	S	S	*	*				51	137.3	113	-51.4	-10	0	0	0	122.4
931	D	39.5	Very low	35.2	Very low	136 Å²	136	131.9 Å²	131.9	73%	0.727	74%	0.741	S	S	*	*			trans	65	141.2	151.5	-58.8	-9.8	0	0	0	120.4
932	H	39.8	Very low	35.2	Very low	157 Å²	157	134.1 Å²	134.1	73%	0.727	75%	0.745	S	S	*	*			cis	-153.2	177.7	-1.8	-123.8	-49.9	0	0	0	110.7
933	D	36.8	Very low	35.2	Very low	127 Å²	127	134.5 Å²	134.5	68%	0.679	74%	0.742	S	S	*	*			trans	-66.3	171.8	-173.9	-46.6	-93.3	0	0	0	114.1
934	D	37.7	Very low	35.1	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	73%	0.733	S	S	*	*				-163.3	162.3	52.8	-107	-39.7	0	0	0	116.7
935	I	34	Very low	35	Very low	150 Å²	150	132.6 Å²	132.6	77%	0.769	73%	0.73	S	S	*	*			trans	-39.9	159.1	164.4	-6.8	179.3	0	0	0	114.5
936	V	36.1	Very low	34.9	Very low	125 Å²	125	133 Å²	133	76%	0.758	73%	0.733	S	S	*	*			cis	-158.2	141.6	44	177.4	0	0	0	0	108.6
937	G	34.4	Very low	34.8	Very low	62 Å²	62	131.1 Å²	131.1	64%	0.639	73%	0.731	S	S	*	*				69.1	152.2	86.8	0	0	0	0	0	114.2
938	D	36.3	Very low	34.3	Very low	140 Å²	140	129 Å²	129	75%	0.749	73%	0.728	S	S	*	*			cis	-165.1	158.3	-1.5	-104	-5.3	0	0	0	109.3
939	N	35.1	Very low	33.8	Very low	127 Å²	127	126.5 Å²	126.5	68%	0.679	72%	0.722	S	S	*	*			trans	63.3	161.1	152.2	-62.1	7	0	0	0	119.6
940	D	37.3	Very low	33.2	Very low	129 Å²	129	124.9 Å²	124.9	69%	0.69	72%	0.722	S	S	*	*			cis	-158.9	155.4	-19.3	-100.1	-23.8	0	0	0	110.9
941	D	33.9	Very low	32.6	Very low	136 Å²	136	123.4 Å²	123.4	73%	0.727	72%	0.722	S	S	*	*			trans	41.7	141.6	145.6	-84.3	-9.6	0	0	0	127.1
942	L	32.9	Very low	31.9	Very low	140 Å²	140	122.2 Å²	122.2	73%	0.733	72%	0.724	S	S	*	*			trans	66.3	157	143.6	-65.7	168.1	0	0	0	120.1
943	E	29.5	Very low	31.2	Very low	163 Å²	163	120.4 Å²	120.4	76%	0.762	73%	0.729	S	S	*	*			cis	-160.5	150.5	-30.7	-159.2	-178.7	-145.1	0	0	110.9
944	S	30.8	Very low	30.7	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	74%	0.742	S	S	*	*			trans	79.9	145.8	152.1	88.5	0	0	0	0	123.2
945	N	28.8	Very low	30.3	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	74%	0.741	S	S	*	*			trans	74.8	112.7	141.7	-66.1	-30.9	0	0	0	125.1
946	S	29.3	Very low	29.9	Very low	106 Å²	106	121.7 Å²	121.7	74%	0.741	74%	0.74	S	S	*	*			trans	89.3	120.4	131.2	71.5	0	0	0	0	121.7
947	S	27.8	Very low	29.5	Very low	106 Å²	106	124.3 Å²	124.3	74%	0.741	74%	0.743	S	S	*	*			trans	7	133.7	145.2	58	0	0	0	0	118.6
948	S	27.3	Very low	29.4	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	75%	0.751	S	S	*	*			cis	-173.1	174.5	46.4	49.2	0	0	0	0	113.9
949	S	26.1	Very low	29	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	75%	0.75	S	S	*	*			trans	60.6	113.8	157	50.5	0	0	0	0	121.8
950	S	25.1	Very low	28.9	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	75%	0.751	S	S	*	*			trans	79.1	139.2	134.4	58.2	0	0	0	0	123.3
951	S	25.4	Very low	28.7	Very low	100 Å²	100	124.8 Å²	124.8	70%	0.699	75%	0.747	S	S	*	*			trans	66.3	93.8	154.3	36.9	0	0	0	0	120.7
952	S	24.7	Very low	28.7	Very low	111 Å²	111	122.6 Å²	122.6	78%	0.776	73%	0.734	S	S	*	*				53.1	99.8	127.1	61.3	0	0	0	0	120.2
953	S	26.2	Very low	28.7	Very low	119 Å²	119	119.6 Å²	119.6	83%	0.832	72%	0.719	S	S	*	*				-176.8	134.4	101	43.3	0	0	0	0	111.7
954	Q	26.3	Very low	28.9	Very low	204 Å²	204	117.6 Å²	117.6	95%	0.953	71%	0.712	S	S	*	*			trans	-148.3	145.2	166.6	-89.4	-165.4	-16.4	0	0	110.3
955	S	28.5	Very low	29	Very low	106 Å²	106	117.5 Å²	117.5	74%	0.741	71%	0.708	S	S	*	*			trans	-116.7	141.5	-168.6	42.1	0	0	0	0	113
956	N	26.9	Very low	29.1	Very low	137 Å²	137	118.1 Å²	118.1	73%	0.733	70%	0.699	S	S	*	*			trans	28.8	117.6	144.2	-55.8	-24.6	0	0	0	119.3
957	H	27.8	Very low	29.2	Very low	179 Å²	179	116.5 Å²	116.5	83%	0.829	69%	0.688	S	S	*	*				-162.6	170.8	95.9	-92	-61	0	0	0	111.8	R959	H957-R959 PolarHBondContact O-N 3.27Å
958	S	31.1	Very low	29.5	Very low	115 Å²	115	116.3 Å²	116.3	80%	0.804	68%	0.683	S	S	*	*	S	Bend	trans	66.5	19.7	166.6	76.9	0	0	0	0	122.1
959	R	28.4	Very low	29.6	Very low	195 Å²	195	118.2 Å²	118.2	74%	0.736	68%	0.683	S	S	*	*			trans	-76.3	-13.5	173.1	-84.7	-171.6	176	174.8	0.9	117.3	H957 G961 I962	H957-R959 PolarHBondContact O-N 3.27Å; R959-G961 PolarHBondContact O-N 2.82Å; R959-I962 PolarHBondContact O-N 2.84Å
960	S	33.2	Very low	29.8	Very low	100 Å²	100	118.1 Å²	118.1	70%	0.699	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	1.9	-163.8	57.2	0	0	0	0	118.2
961	G	32.3	Very low	30	Very low	59 Å²	59	120.6 Å²	120.6	61%	0.608	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-6.9	172.3	0	0	0	0	0	115.2	R959	R959-G961 PolarHBondContact O-N 2.82Å
962	I	35	Very low	30.1	Very low	89 Å²	89	119.2 Å²	119.2	46%	0.456	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.6	-27.5	-164.3	-71.6	170.7	0	0	0	112.8	R959	R959-I962 PolarHBondContact O-N 2.84Å
963	D	32.4	Very low	30.2	Very low	78 Å²	78	125.1 Å²	125.1	42%	0.417	69%	0.69	S	S	.	*	H	α-helix	trans	-81.9	-31.3	-169.6	-59.1	-47.9	0	0	0	113.4	V965 R966 S967	D963-V965 VanDerWaalsContact C-N 3.33Å; D963-V965 PolarHBondContact O-N 3.47Å; D963-R966 CarbonylContact O-C 3.59Å; D963-R966 PolarHBondContact O-N 3.46Å; D963-S967 PolarHBondContact O-N 3.49Å; D963-S967 PolarHBondContact O-OG 2.8Å
964	I	34	Very low	30.1	Very low	120 Å²	120	131.5 Å²	131.5	62%	0.615	70%	0.696	S	S	*	*	H	α-helix	trans	-57.2	-44.3	-179.9	-60.8	175	0	0	0	111.7	R966 S967 V968	I964-R966 VanDerWaalsContact C-N 3.31Å; I964-R966 PolarHBondContact O-N 3.27Å; I964-S967 PolarHBondContact O-N 2.96Å; I964-V968 PolarHBondContact O-N 3.49Å
965	V	33.2	Very low	30	Very low	90 Å²	90	125.9 Å²	125.9	55%	0.545	69%	0.693	S	S	.	*	H	α-helix	trans	-69.9	-29.5	179.6	-178	0	0	0	0	111.5	D963 L969	D963-V965 VanDerWaalsContact C-N 3.33Å; D963-V965 PolarHBondContact O-N 3.47Å; V965-L969 HydrophobicContact CG1-CD1 4.23Å; V965-L969 PolarHBondContact O-N 2.86Å
966	R	29.7	Very low	29.9	Very low	155 Å²	155	124.3 Å²	124.3	59%	0.585	69%	0.693	S	S	*	*	H	α-helix	trans	-77.2	-37.2	173.4	-70.9	-170	178.1	126.5	3.1	112.7	D963 I964 V968 L969 T970	D963-R966 CarbonylContact O-C 3.59Å; D963-R966 PolarHBondContact O-N 3.46Å; I964-R966 VanDerWaalsContact C-N 3.31Å; I964-R966 PolarHBondContact O-N 3.27Å; R966-V968 VanDerWaalsContact C-N 3.28Å; R966-V968 PolarHBondContact O-N 2.99Å; R966-L969 PolarHBondContact O-N 3.47Å; R966-T970 VanDerWaalsContact O-CB 3.29Å; R966-T970 WeakPolarHBondContact O-CB 3.45Å; R966-T970 PolarHBondContact O-N 2.82Å; R966-T970 PolarHBondContact O-OG1 2.96Å
967	S	32.1	Very low	29.9	Very low	72 Å²	72	125 Å²	125	50%	0.503	70%	0.695	S	S	.	*	H	α-helix	trans	-57.1	-42.3	176.1	-62.7	0	0	0	0	111.7	D963 I964 L971	D963-S967 PolarHBondContact O-N 3.49Å; D963-S967 PolarHBondContact O-OG 2.8Å; I964-S967 PolarHBondContact O-N 2.96Å; S967-L971 WeakPolarHBondContact O-CD1 3.41Å; S967-L971 WeakPolarHBondContact O-CG 3.42Å
968	V	33.4	Very low	29.8	Very low	103 Å²	103	124.4 Å²	124.4	62%	0.624	70%	0.698	S	S	*	*	H	α-helix	trans	-70.8	-35.6	178.4	178.3	0	0	0	0	112.5	I964 R966	I964-V968 PolarHBondContact O-N 3.49Å; R966-V968 VanDerWaalsContact C-N 3.28Å; R966-V968 PolarHBondContact O-N 2.99Å
969	L	30	Very low	29.5	Very low	144 Å²	144	122.7 Å²	122.7	75%	0.754	70%	0.699	S	S	*	*	H	α-helix	trans	-93.6	-5.1	-176.2	-70.1	171.5	0	0	0	115.4	V965 R966	V965-L969 HydrophobicContact CG1-CD1 4.23Å; V965-L969 PolarHBondContact O-N 2.86Å; R966-L969 PolarHBondContact O-N 3.47Å
970	T	30.9	Very low	29.4	Very low	97 Å²	97	118.4 Å²	118.4	60%	0.595	71%	0.705	S	S	*	*	H	α-helix	trans	-108.1	-12.2	-180	-38.7	0	0	0	0	113.1	R966 G972	R966-T970 VanDerWaalsContact O-CB 3.29Å; R966-T970 WeakPolarHBondContact O-CB 3.45Å; R966-T970 PolarHBondContact O-N 2.82Å; R966-T970 PolarHBondContact O-OG1 2.96Å; T970-G972 PolarHBondContact O-N 2.99Å
971	L	28.4	Very low	29	Very low	160 Å²	160	123.7 Å²	123.7	84%	0.838	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	69.3	173	-77.8	170.8	0	0	0	111.7	S967	S967-L971 WeakPolarHBondContact O-CD1 3.41Å; S967-L971 WeakPolarHBondContact O-CG 3.42Å
972	G	28.3	Very low	28.6	Very low	71 Å²	71	132 Å²	132	73%	0.732	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	-16.4	175.6	0	0	0	0	0	115.7	T970	T970-G972 PolarHBondContact O-N 2.99Å
973	R	25.8	Very low	28.2	Very low	235 Å²	235	131.8 Å²	131.8	89%	0.887	74%	0.735	S	S	*	*	S	Bend	trans	-144.3	121.4	178.4	-67.4	-172.3	172.6	-172.3	-4.7	113
974	R	24.8	Very low	28	Very low	252 Å²	252	137 Å²	137	95%	0.951	76%	0.757	S	S	*	*			trans	84	97	165.5	-62.4	-177.3	165.2	-174.6	-4.9	120.9
975	G	24.6	Very low	27.7	Very low	87 Å²	87	139.7 Å²	139.7	90%	0.897	77%	0.767	S	S	*	*				92.3	143.2	122.1	0	0	0	0	0	120.2
976	G	25.3	Very low	27.3	Very low	73 Å²	73	141.2 Å²	141.2	75%	0.753	78%	0.777	S	S	*	*			trans	171.5	35.7	176.4	0	0	0	0	0	123
977	I	26.6	Very low	27.1	Very low	151 Å²	151	141.8 Å²	141.8	77%	0.774	79%	0.79	S	S	*	*			trans	38.5	133.2	136.6	-65.7	165.8	0	0	0	122.2
978	N	26	Very low	27	Very low	166 Å²	166	143.4 Å²	143.4	89%	0.888	81%	0.808	S	S	*	*			trans	75.2	144.4	158.2	-69.1	-13.7	0	0	0	122
979	G	25.3	Very low	26.9	Very low	79 Å²	79	144.1 Å²	144.1	81%	0.814	82%	0.818	S	S	*	*			trans	150.4	105.7	159.2	0	0	0	0	0	116.8
980	A	25.6	Very low	26.9	Very low	105 Å²	105	148.1 Å²	148.1	87%	0.868	82%	0.823	S	S	*	*			trans	-49.3	143.2	-174.7	0	0	0	0	0	118.6
981	K	26	Very low	27.1	Very low	211 Å²	211	149.3 Å²	149.3	92%	0.917	83%	0.825	S	S	*	*			trans	-82.3	146.9	151.3	-99.5	-167.8	175	-171.5	0	110.1
982	R	24.2	Very low	27.4	Very low	233 Å²	233	149.8 Å²	149.8	88%	0.879	82%	0.816	S	S	*	*			trans	-107.5	144.1	174	-135.5	178.6	-172.4	175.4	0.3	109.8
983	S	26.1	Very low	27.6	Very low	85 Å²	85	152.5 Å²	152.5	59%	0.594	81%	0.81	S	S	*	*			trans	43.5	115.8	151	54.2	0	0	0	0	121
984	E	27	Very low	27.9	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.883	81%	0.81	S	S	*	*				93.4	139.3	120.2	-72.3	167.8	173.7	0	0	122.8
985	E	27.9	Very low	28.2	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	80%	0.798	S	S	*	*			trans	-75.8	140.4	155.5	-58.3	153.8	118.2	0	0	107.5
986	T	25	Very low	28.5	Very low	123 Å²	123	143 Å²	143	76%	0.755	79%	0.794	S	S	*	*				-174.1	150.6	80.9	26.3	0	0	0	0	112.3
987	L	26.5	Very low	28.8	Very low	167 Å²	167	145.6 Å²	145.6	87%	0.874	79%	0.791	S	S	*	*			trans	25.1	122.9	144	-60.2	164.2	0	0	0	120.4
988	A	29.5	Very low	29	Very low	105 Å²	105	145.2 Å²	145.2	87%	0.868	79%	0.786	S	S	*	*				-169.2	143.3	110.8	0	0	0	0	0	113.5
989	S	30.6	Very low	29.3	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	78%	0.775	S	S	*	*			trans	-77.7	165.2	-164.8	41.9	0	0	0	0	119.2
990	R	31.6	Very low	29.5	Very low	227 Å²	227	144.4 Å²	144.4	86%	0.857	77%	0.77	S	S	*	*			trans	-49.7	161.2	158.5	-68.7	171.5	149.2	116.4	-8.6	115.1
991	D	35.1	Very low	29.7	Very low	122 Å²	122	143.7 Å²	143.7	65%	0.652	76%	0.759	S	S	*	*				-177.8	153.8	114.6	-95.8	7.4	0	0	0	109.5
992	R	33.5	Very low	30	Very low	171 Å²	171	140.5 Å²	140.5	65%	0.645	75%	0.752	S	S	*	*			cis	-163.2	155.4	-4.3	-126.7	173.5	159.1	93.5	9.2	113.9
993	E	33.4	Very low	30.3	Very low	128 Å²	128	138.1 Å²	138.1	60%	0.598	75%	0.751	S	S	*	*			trans	59.1	129.3	143.3	-78.9	149.4	-164.2	0	0	126.9
994	E	30.9	Very low	30.4	Very low	190 Å²	190	137.6 Å²	137.6	89%	0.888	76%	0.759	S	S	*	*			trans	76.8	148.9	138.7	-67.1	179.1	-171.1	0	0	124
995	G	31.7	Very low	30.4	Very low	69 Å²	69	132.2 Å²	132.2	71%	0.711	75%	0.754	S	S	*	*			trans	174.1	-29.3	178.6	0	0	0	0	0	122
996	S	30.4	Very low	30.2	Very low	114 Å²	114	132 Å²	132	80%	0.797	76%	0.757	S	S	*	*			trans	61.6	143.9	169.7	67.3	0	0	0	0	122.8
997	N	33	Very low	30.2	Very low	129 Å²	129	131 Å²	131	69%	0.69	76%	0.755	S	S	*	*			trans	88.7	100	144.9	-79.2	30.4	0	0	0	125.3
998	E	30.5	Very low	30.3	Very low	143 Å²	143	127.4 Å²	127.4	67%	0.668	74%	0.744	S	S	*	*				97.7	123.5	112	-80.8	-174	-132.4	0	0	124.3
999	N	30.8	Very low	30.2	Very low	126 Å²	126	133.1 Å²	133.1	67%	0.674	74%	0.743	S	S	*	*			trans	87	86.3	139.9	-55.8	-18.7	0	0	0	122.7
1000	S	29.8	Very low	30	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	74%	0.74	S	S	*	*				88.5	127.5	108.5	67.5	0	0	0	0	123.1
1001	S	31.2	Very low	29.8	Very low	91 Å²	91	129.2 Å²	129.2	64%	0.636	74%	0.737	S	S	*	*			trans	60.4	126.7	145.8	53.5	0	0	0	0	119.7
1002	D	31.5	Very low	29.6	Very low	144 Å²	144	128.8 Å²	128.8	77%	0.77	74%	0.744	S	S	*	*			cis	-145	132.9	-3.4	-78.1	-40.9	0	0	0	107.5
1003	E	29.5	Very low	29.2	Very low	182 Å²	182	129.7 Å²	129.7	85%	0.85	75%	0.753	S	S	*	*				56.1	120	80.1	-70.8	-68.5	171	0	0	113.5
1004	G	28.8	Very low	28.9	Very low	74 Å²	74	130.5 Å²	130.5	76%	0.763	76%	0.76	S	S	*	*			cis	178.2	177.3	-0.2	0	0	0	0	0	109.4
1005	G	26.9	Very low	28.8	Very low	76 Å²	76	125.2 Å²	125.2	78%	0.784	75%	0.749	S	S	*	*			cis	179.5	147.9	-1.9	0	0	0	0	0	110.2
1006	I	24.1	Very low	28.6	Very low	172 Å²	172	130.2 Å²	130.2	88%	0.882	75%	0.751	S	S	*	*			trans	-108.1	122.5	-169.9	-67.1	170.1	0	0	0	112.5
1007	S	25.4	Very low	28.4	Very low	102 Å²	102	131 Å²	131	71%	0.713	74%	0.742	S	S	*	*			trans	69.3	144.1	150.2	-163.3	0	0	0	0	122
1008	S	28	Very low	28	Very low	90 Å²	90	130.9 Å²	130.9	63%	0.629	74%	0.741	S	S	*	*			trans	101.3	146.8	139.1	81.9	0	0	0	0	121.8
1009	R	27.3	Very low	27.7	Very low	225 Å²	225	134.9 Å²	134.9	85%	0.849	75%	0.75	S	S	*	*			trans	99	144.1	158.1	-59.4	170.4	-171.3	-149.4	-1.9	117.6
1010	I	25.7	Very low	27.4	Very low	152 Å²	152	134.7 Å²	134.7	78%	0.779	76%	0.757	S	S	*	*			cis	-176.4	133.8	-34.9	-109.3	165.6	0	0	0	106.6
1011	S	28.6	Very low	27.2	Very low	112 Å²	112	135 Å²	135	78%	0.783	76%	0.76	S	S	*	*			trans	2.2	131.9	160.8	-45.6	0	0	0	0	123.7
1012	S	30.3	Very low	27	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	77%	0.766	S	S	*	*			trans	-175.5	156	137.4	53	0	0	0	0	110.4
1013	F	25.7	Very low	26.7	Very low	190 Å²	190	138.2 Å²	138.2	83%	0.833	76%	0.764	S	S	*	*			cis	-153.1	-177.9	-15.1	-135.4	-117.5	0	0	0	111
1014	L	26.2	Very low	26.5	Very low	144 Å²	144	135.1 Å²	135.1	75%	0.754	76%	0.757	S	S	*	*			trans	-46.6	170.2	175.1	-60.4	172.3	0	0	0	117.1
1015	A	29.7	Very low	26.4	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	76%	0.757	S	S	*	*			cis	178.6	-174.2	-23.5	0	0	0	0	0	109.1
1016	K	27.9	Very low	26.4	Very low	174 Å²	174	137.4 Å²	137.4	76%	0.757	75%	0.75	S	S	*	*			trans	72.8	153.3	172.8	-65.9	172.8	156.7	-93.7	0	116.4
1017	E	26.1	Very low	26.6	Very low	130 Å²	130	135.3 Å²	135.3	61%	0.607	74%	0.74	S	S	*	*			cis	-158.3	164.7	-18.1	-116.3	167.8	148.6	0	0	111.6
1018	L	25	Very low	26.8	Very low	126 Å²	126	135.1 Å²	135.1	66%	0.66	74%	0.739	S	S	*	*			trans	9.5	143.7	140.7	-59.4	169.5	0	0	0	118.7
1019	R	23.5	Very low	26.8	Very low	227 Å²	227	138.8 Å²	138.8	86%	0.857	75%	0.746	S	S	*	*			cis	-170.1	-179.4	36.7	-129.1	156.6	-156.9	-143.6	8.1	112.5
1020	C	25.3	Very low	26.8	Very low	123 Å²	123	133.6 Å²	133.6	83%	0.831	74%	0.739	S	S	*	*			trans	-103.2	150.4	-176.3	-40.6	0	0	0	0	115.2
1021	S	25.2	Very low	26.9	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	73%	0.734	S	S	*	*			trans	-172.9	135.5	142.8	47.9	0	0	0	0	108.2
1022	H	26.8	Very low	26.9	Very low	167 Å²	167	130.6 Å²	130.6	77%	0.773	73%	0.727	S	S	*	*				55.2	126.7	75.3	-82.7	-87.9	0	0	0	111.7
1023	D	24.9	Very low	26.9	Very low	134 Å²	134	130.2 Å²	130.2	72%	0.717	73%	0.725	S	S	*	*			cis	-153.6	-175.2	34.3	-100.2	-42.9	0	0	0	117.3
1024	T	25.8	Very low	27.1	Very low	117 Å²	117	125.9 Å²	125.9	72%	0.718	72%	0.718	S	S	*	*			trans	-59.9	-178.8	-175.5	56	0	0	0	0	119.4
1025	S	26.3	Very low	27.2	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	71%	0.713	S	S	*	*			trans	84.1	148.8	155.8	77.4	0	0	0	0	117.2
1026	S	27.4	Very low	27.2	Very low	90 Å²	90	124.7 Å²	124.7	63%	0.629	72%	0.717	S	S	*	*			cis	-163.6	-174.4	-23.4	47.2	0	0	0	0	108.9
1027	D	28.2	Very low	27.3	Very low	128 Å²	128	121.2 Å²	121.2	68%	0.684	72%	0.715	S	S	*	*			trans	73.5	126.3	162.9	-60.8	-60.3	0	0	0	116.2
1028	S	28.3	Very low	27.5	Very low	97 Å²	97	119.9 Å²	119.9	68%	0.678	72%	0.72	S	S	*	*				70.7	135.8	55.7	93.3	0	0	0	0	111
1029	E	28.8	Very low	27.9	Very low	168 Å²	168	118.8 Å²	118.8	79%	0.785	72%	0.723	S	S	*	*			cis	-133.2	163.4	29.7	-63.9	-175.6	115.4	0	0	114.7
1030	T	28.2	Very low	28.3	Very low	115 Å²	115	114.1 Å²	114.1	71%	0.706	72%	0.719	S	S	*	*			trans	19.7	173.1	136	78.2	0	0	0	0	122
1031	T	27.9	Very low	28.7	Very low	110 Å²	110	113.9 Å²	113.9	68%	0.675	72%	0.719	S	S	*	*			cis	-155.5	120.5	14.1	-9.2	0	0	0	0	107
1032	S	28.6	Very low	29.1	Very low	91 Å²	91	113.7 Å²	113.7	64%	0.636	72%	0.718	S	S	*	*				83.4	151.3	97.7	74.5	0	0	0	0	117.6
1033	S	29	Very low	29.5	Very low	106 Å²	106	111.2 Å²	111.2	74%	0.741	72%	0.719	S	S	*	*			trans	66.1	143.8	152	49.5	0	0	0	0	120.6
1034	S	29.1	Very low	30	Very low	100 Å²	100	109.4 Å²	109.4	70%	0.699	72%	0.717	S	S	*	*			cis	-169.9	159.9	-16.4	52.9	0	0	0	0	113.8
1035	S	29.1	Very low	30.5	Very low	91 Å²	91	108.8 Å²	108.8	64%	0.636	72%	0.718	S	S	*	*			trans	62.6	120.6	135.3	63.4	0	0	0	0	123.4
1036	S	29.7	Very low	31	Very low	108 Å²	108	108.2 Å²	108.2	76%	0.755	71%	0.714	S	S	*	*				74.2	163.3	129.1	74.2	0	0	0	0	119.2
1037	S	30.2	Very low	31.4	Very low	101 Å²	101	109 Å²	109	71%	0.706	72%	0.719	S	S	*	*			cis	-149.2	171.5	8.7	-34.1	0	0	0	0	114.5
1038	S	30.8	Very low	31.8	Very low	101 Å²	101	107.8 Å²	107.8	71%	0.706	72%	0.721	S	S	*	*			trans	-34.5	154.2	158.8	52.3	0	0	0	0	117.5
1039	S	33.9	Very low	32.2	Very low	104 Å²	104	107.6 Å²	107.6	73%	0.727	72%	0.719	S	S	*	*				-178.7	138.1	79.5	34	0	0	0	0	109.8
1040	T	30.4	Very low	32.6	Very low	128 Å²	128	104.7 Å²	104.7	79%	0.785	72%	0.718	S	S	*	*				74.8	102	55.1	65.4	0	0	0	0	116.9
1041	S	35.2	Very low	32.9	Very low	119 Å²	119	103.9 Å²	103.9	83%	0.832	72%	0.717	S	S	*	*			trans	169.7	169.6	146.9	43.5	0	0	0	0	111.4
1042	S	32	Very low	33.3	Very low	103 Å²	103	103.7 Å²	103.7	72%	0.72	72%	0.72	S	S	*	*				-171.1	171.7	-67.3	48.6	0	0	0	0	110.8
1043	S	36.7	Very low	33.7	Very low	115 Å²	115	103.9 Å²	103.9	80%	0.804	72%	0.721	S	S	*	*			trans	72.5	153.9	166.4	78.8	0	0	0	0	118.5
1044	S	33.8	Very low	34	Very low	96 Å²	96	110.2 Å²	110.2	67%	0.671	73%	0.729	S	S	*	*			cis	-171.1	169.4	-27	54.3	0	0	0	0	111.3
1045	S	36.6	Very low	34.3	Very low	105 Å²	105	110.1 Å²	110.1	73%	0.734	73%	0.728	S	S	*	*			trans	63.9	149.6	152.6	43.4	0	0	0	0	120.1
1046	S	36.6	Very low	34.6	Very low	96 Å²	96	110.3 Å²	110.3	67%	0.671	73%	0.73	S	S	*	*			cis	-171.7	166.8	-18.3	52.9	0	0	0	0	110.9
1047	S	36.4	Very low	34.9	Very low	107 Å²	107	110.3 Å²	110.3	75%	0.748	73%	0.729	S	S	*	*			trans	62.5	146.3	151.6	45.9	0	0	0	0	120.6
1048	S	36.9	Very low	35.1	Very low	102 Å²	102	110 Å²	110	71%	0.713	73%	0.727	S	S	*	*			cis	-168.8	170.9	-15.4	53.4	0	0	0	0	112.8
1049	S	36.8	Very low	35.3	Very low	93 Å²	93	110.2 Å²	110.2	65%	0.65	73%	0.729	S	S	*	*			trans	70	110.5	139.1	58.4	0	0	0	0	122.7
1050	S	36.1	Very low	35.4	Very low	108 Å²	108	110 Å²	110	76%	0.755	73%	0.727	S	S	*	*				70	151.5	125.2	63.5	0	0	0	0	122.3
1051	S	36.1	Very low	35.6	Very low	97 Å²	97	109 Å²	109	68%	0.678	73%	0.725	S	S	*	*			cis	-175.8	162.1	-25.5	55.5	0	0	0	0	110.1
1052	S	36.4	Very low	35.7	Very low	106 Å²	106	108.2 Å²	108.2	74%	0.741	72%	0.72	S	S	*	*			trans	60.4	150.3	151.2	50.5	0	0	0	0	120.3
1053	S	36.4	Very low	35.9	Very low	95 Å²	95	108.2 Å²	108.2	66%	0.664	72%	0.72	S	S	*	*			cis	-178	148.6	-19.8	55.3	0	0	0	0	110.2
1054	R	34.1	Very low	36	Very low	240 Å²	240	107.6 Å²	107.6	91%	0.906	72%	0.715	S	S	*	*			trans	63.8	150.6	156.5	-71.6	172.7	173.5	-179.1	-3.5	116.2
1055	S	36.3	Very low	36.1	Very low	97 Å²	97	108.9 Å²	108.9	68%	0.678	72%	0.72	S	S	*	*			cis	-167.9	173.8	-4	43.1	0	0	0	0	111.2
1056	S	35.9	Very low	36	Very low	96 Å²	96	109 Å²	109	67%	0.671	72%	0.72	S	S	*	*			trans	64.6	99.1	144.6	54.6	0	0	0	0	121.3
1057	S	34.9	Very low	36	Very low	107 Å²	107	111.7 Å²	111.7	75%	0.748	74%	0.739	S	S	*	*				84.2	156.6	114.6	67.7	0	0	0	0	123.6
1058	S	35.5	Very low	36	Very low	94 Å²	94	112 Å²	112	66%	0.657	74%	0.739	S	S	*	*			trans	71.7	84.2	153.6	43.1	0	0	0	0	120.4
1059	S	35	Very low	35.9	Very low	107 Å²	107	112.5 Å²	112.5	75%	0.748	74%	0.74	S	S	*	*				76.1	150.5	112.6	63	0	0	0	0	123.4
1060	S	35.3	Very low	35.9	Very low	99 Å²	99	113.6 Å²	113.6	69%	0.692	75%	0.745	S	S	*	*			trans	72.8	104	150.1	47	0	0	0	0	121.2
1061	S	35.2	Very low	35.9	Very low	107 Å²	107	113.9 Å²	113.9	75%	0.748	75%	0.745	S	S	*	*				95.2	162	118.2	75.6	0	0	0	0	120.9
1062	S	37	Very low	35.9	Very low	103 Å²	103	114.9 Å²	114.9	72%	0.72	75%	0.749	S	S	*	*			trans	66.1	97.6	169.5	33.2	0	0	0	0	119.7
1063	S	36.9	Very low	35.8	Very low	102 Å²	102	115.5 Å²	115.5	71%	0.713	75%	0.749	S	S	*	*				71	120	118.4	66.8	0	0	0	0	122.9
1064	S	37.3	Very low	35.8	Very low	102 Å²	102	117 Å²	117	71%	0.713	76%	0.755	S	S	*	*				82.9	151.4	124.6	61.9	0	0	0	0	122.8
1065	T	35.7	Very low	35.9	Very low	124 Å²	124	107.5 Å²	107.5	76%	0.761	74%	0.744	S	S	*	*			trans	69.8	88	157.4	40.4	0	0	0	0	120
1066	S	35.5	Very low	35.9	Very low	107 Å²	107	108.4 Å²	108.4	75%	0.748	75%	0.749	S	S	*	*				61.2	113.1	119.6	62.6	0	0	0	0	121.6
1067	S	36.5	Very low	35.9	Very low	153 Å²	153	109.5 Å²	109.5	100%	1.07	76%	0.756	S	S	*	*				-142.1	0	129.9	66.9	0	0	0	0	109.5

Retrieved 1,067 of 1,067 residues in 201.9 ms (Link to these results)

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