A0A077YWC5_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWC5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 827 aa.

						>A0A077YWC5_TRITR|A0A077YWC5
MRTCTERLDNPCAQAADGNTIDSQVPELRDLKEKRNIFSQTETTEKAKKTPSELTKSATELRSTARIIELHGKTYSVGKRIGEGGTAKVYIVTDMDSNREYALKWIDLINCDKLQMKVLNREIEILEKLKQVDLVVKLIDHKYKQNEYLIMLLERGRVDLSTHFKTFDYKMSPRMIVRYWLGMLRAVNEIHKIGVIHADLKPSNFVLSEGKVKLIDFGISNLLQSEHRSVTQIALLGTVGYMSPEALCARQEGDMEKIKVSTKTDVWSLGTILYRLIYGKLPFDHIGNIAAQIMATCNPKIPIALPDTSYPFARDALACCLHRNPRKRSTVENLISHPYVTQYFPNSADLHGKTGPAMTTLAPPRENLKYTKPWLYYKSGVEFLNDFWPMSPIETDERMLYGPGHVQRMLKRFAEIAEQSVDSRRGRSDVSHSRRLRSADNLPCSNSTSITPSHRHSSCPTVSADISATPSSVQQLKRKFEYLSASAVAHGMSKPKSRNTSSDRMDKANSPSRPTARRSSEMTTSSTSNSSSYCLSDVFGDVSYLSTDRDESSTSESTASKYAVQKLTKKIASGDKPKMATKAQEPASGLTEMNALLEKFRQNRSRRASSESVNGRDPAPTVQMKCDIAKSTNECTSSPEHPDSGGSGSASRASHHQSTLRPSTPMKSRQILADRYNEQNSRLDVTSSTCPSSMKELRQIAFVVASYLSQPRRDSSSYHYECPFADSDSECSSYGPEERDKHYDFDGAYVVPRKSSLISRKDVVKYKENYVGFSAEPPVAYVYLEETEAEVAGLWQAGKDISIDLYFHIKEQMRQERSSVTDDDYSQ
					

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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	29.7	Very low	35.3	Very low	239 Å²	239	162.5 Å²	162.5	100%	1.177	83%	0.833	S	S	*	*				0	92.9	0	-49.1	174.4	-163.9	0	0	105.3
2	R	29.6	Very low	35	Very low	239 Å²	239	160.5 Å²	160.5	90%	0.902	84%	0.841	S	S	*	*				56.4	96.6	63.9	-76	-165.3	-176.6	177.9	2.9	113.9
3	T	33.9	Very low	34.8	Very low	126 Å²	126	154.6 Å²	154.6	77%	0.773	83%	0.83	S	S	*	*			trans	52.7	117.4	138.5	53.3	0	0	0	0	119.9
4	C	33.8	Very low	34.8	Very low	127 Å²	127	157.6 Å²	157.6	86%	0.858	84%	0.836	S	S	*	*				-168.4	152.8	91.5	-93.9	0	0	0	0	112
5	T	34.9	Very low	34.5	Very low	131 Å²	131	153.9 Å²	153.9	80%	0.804	84%	0.836	S	S	*	*			trans	-121	-178.5	-176.2	39.8	0	0	0	0	110.9
6	E	36.3	Very low	34.6	Very low	141 Å²	141	150.3 Å²	150.3	66%	0.659	83%	0.834	S	S	*	*			trans	85.1	119.3	164.3	-47.7	-151.4	108.9	0	0	113.5
7	R	34.7	Very low	34.6	Very low	203 Å²	203	151.6 Å²	151.6	77%	0.766	84%	0.839	S	S	*	*			cis	117.6	127.9	41.4	-98.7	172.1	163.2	154.8	-9.2	105.6
8	L	37.4	Very low	34.6	Very low	171 Å²	171	147.3 Å²	147.3	90%	0.895	84%	0.835	S	S	*	*				177.5	152.3	117.1	-92.9	167.4	0	0	0	110.6
9	D	37.5	Very low	34.6	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	84%	0.835	S	S	*	*			trans	-101.8	157.8	-163.6	-64.2	-75.4	0	0	0	115.1
10	N	38.5	Very low	34.5	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	83%	0.829	S	S	*	*			trans	80.1	155.7	142.3	-84	-20	0	0	0	122.1
11	P	42	Very low	34.5	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	83%	0.826	S	S	*	*			trans	-128	175.1	-150.5	42.5	-26.5	0	0	0	115
12	C	31.6	Very low	34.6	Very low	138 Å²	138	142.1 Å²	142.1	93%	0.932	81%	0.808	S	S	*	*			trans	-147.8	175.7	151.7	-138.7	0	0	0	0	111.7
13	A	32.7	Very low	35	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	80%	0.8	S	S	*	*			trans	-110	-177.4	-158.2	0	0	0	0	0	114.7
14	Q	35	Very low	34.9	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	80%	0.803	S	S	*	*			trans	98.9	128.1	159.1	-62	174.2	-8.2	0	0	118.2
15	A	29.2	Very low	34.9	Very low	101 Å²	101	138.8 Å²	138.8	84%	0.835	80%	0.802	S	S	*	*			trans	-73.3	156.7	-173.8	0	0	0	0	0	114.8
16	A	36.5	Very low	34.7	Very low	97 Å²	97	137.7 Å²	137.7	80%	0.802	80%	0.797	S	S	*	*				-166.5	152.9	128.2	0	0	0	0	0	111.1
17	D	34.3	Very low	34.4	Very low	173 Å²	173	139.6 Å²	139.6	93%	0.925	81%	0.806	S	S	*	*			trans	-62.7	158.7	-174.7	-50.9	-64	0	0	0	116
18	G	34.6	Very low	34.2	Very low	74 Å²	74	138 Å²	138	76%	0.763	81%	0.812	S	S	*	*			trans	149.6	86.8	153.9	0	0	0	0	0	119.2
19	N	34.7	Very low	33.9	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	81%	0.813	S	S	*	*			trans	50.5	120.6	145.3	-78.6	-3.7	0	0	0	123
20	T	32.4	Very low	33.6	Very low	119 Å²	119	141.9 Å²	141.9	73%	0.73	82%	0.816	S	S	*	*			trans	62.6	124.5	133.3	-25.9	0	0	0	0	116.9
21	I	35.2	Very low	33.4	Very low	150 Å²	150	142.7 Å²	142.7	77%	0.769	82%	0.819	S	S	*	*				-163.1	123.1	71.5	-75.2	150.7	0	0	0	110
22	D	32.5	Very low	33	Very low	148 Å²	148	146.8 Å²	146.8	79%	0.791	83%	0.825	S	S	*	*			trans	43.1	111.2	133.7	-154.1	6.6	0	0	0	121.8
23	S	36.2	Very low	32.9	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	82%	0.823	S	S	*	*				-175.6	129.9	130	41.2	0	0	0	0	114
24	Q	33.5	Very low	33	Very low	179 Å²	179	155.1 Å²	155.1	84%	0.836	83%	0.833	S	S	*	*			trans	77.6	107.6	147.1	-66.9	-179.4	19.8	0	0	122.3
25	V	32.8	Very low	32.8	Very low	139 Å²	139	157.6 Å²	157.6	84%	0.842	83%	0.834	S	S	*	*			trans	90.4	130.6	142.2	-176.5	0	0	0	0	118.5
26	P	29.9	Very low	32.8	Very low	108 Å²	108	160.2 Å²	160.2	70%	0.701	83%	0.834	S	S	*	*			trans	-127.9	175.9	-152.6	36.5	-15.1	0	0	0	117.1
27	E	30.9	Very low	32.6	Very low	182 Å²	182	163.1 Å²	163.1	85%	0.85	83%	0.834	S	S	*	*			trans	63.5	113.1	155.9	-75	-179.4	146.6	0	0	121.2
28	L	31.5	Very low	32.5	Very low	170 Å²	170	164.2 Å²	164.2	89%	0.89	83%	0.831	S	S	*	*			trans	-155.9	82.8	134.7	-109.1	170.4	0	0	0	110.7
29	R	30.4	Very low	32.2	Very low	239 Å²	239	165.2 Å²	165.2	90%	0.902	83%	0.827	S	S	*	*			trans	-121.7	90.2	163.5	-79	-175	177.3	176.8	1.1	108.4
30	D	32	Very low	32.2	Very low	153 Å²	153	165.5 Å²	165.5	82%	0.818	82%	0.823	S	S	*	*			trans	-176.4	88.6	158.7	-103.4	-13.9	0	0	0	112.3
31	L	34.3	Very low	32.2	Very low	175 Å²	175	165.6 Å²	165.6	92%	0.916	82%	0.824	S	S	*	*			trans	-139.4	50.1	168.4	-77.7	179.3	0	0	0	111.8
32	K	32.2	Very low	32	Very low	199 Å²	199	168 Å²	168	87%	0.865	83%	0.831	S	S	*	*	S	Bend	trans	-141.3	52.3	168.8	-83.9	-166.5	176.5	178.9	0	112.8
33	E	30.4	Very low	31.8	Very low	187 Å²	187	167.4 Å²	167.4	87%	0.874	83%	0.833	S	S	*	*			trans	179.3	106.2	156.4	-107.1	164.4	-158.4	0	0	110.5
34	K	33.9	Very low	31.8	Very low	210 Å²	210	169.2 Å²	169.2	91%	0.913	84%	0.841	S	S	*	*			trans	175.8	89	161.6	-102.7	159.6	-174.1	176	0	112
35	R	30.8	Very low	31.7	Very low	248 Å²	248	169.8 Å²	169.8	94%	0.936	84%	0.843	S	S	*	*			trans	-174.6	66.8	148.8	-107.5	171.7	-176.2	152.9	1.9	111.5
36	N	30.2	Very low	31.8	Very low	157 Å²	157	172.9 Å²	172.9	84%	0.84	85%	0.845	S	S	*	*	S	Bend	trans	-152.3	155.8	148.6	-109.7	-16.4	0	0	0	106.2
37	I	31.5	Very low	31.9	Very low	158 Å²	158	172.5 Å²	172.5	81%	0.81	85%	0.851	S	S	*	*			trans	78.3	91.5	-170.1	-46.3	161.1	0	0	0	113.8
38	F	31.8	Very low	31.9	Very low	195 Å²	195	173.9 Å²	173.9	86%	0.855	85%	0.854	S	S	*	*				-153.3	111.3	116.4	-132.9	-88.8	0	0	0	109.5	Q40	F38-Q40 WeakPolarHBondContact CE1-O 3.41Å
39	S	29.6	Very low	32.1	Very low	96 Å²	96	173.2 Å²	173.2	67%	0.671	84%	0.844	S	S	*	*			trans	-134.3	137.3	173.7	55.2	0	0	0	0	106.4
40	Q	34.2	Very low	32.1	Very low	160 Å²	160	165.5 Å²	165.5	75%	0.748	82%	0.824	S	S	*	*			trans	72.8	140.3	-167.8	-47	171.2	7	0	0	113.4	F38	F38-Q40 WeakPolarHBondContact CE1-O 3.41Å
41	T	31.7	Very low	32.3	Very low	121 Å²	121	163.3 Å²	163.3	74%	0.742	82%	0.818	S	S	*	*			cis	-166.1	132.2	-26.4	22.9	0	0	0	0	105.4
42	E	32.5	Very low	32.3	Very low	199 Å²	199	158.4 Å²	158.4	93%	0.93	80%	0.798	S	S	*	*			trans	-147.1	137.7	155.2	-127.7	168.2	-142.8	0	0	110.2
43	T	28.2	Very low	32.4	Very low	136 Å²	136	152.6 Å²	152.6	83%	0.834	77%	0.774	S	S	*	*			trans	-105	109.2	-164.2	44.2	0	0	0	0	111.3
44	T	35.7	Very low	32.7	Very low	143 Å²	143	150.1 Å²	150.1	88%	0.877	77%	0.766	S	S	*	*			trans	-131.9	121	157.6	52.2	0	0	0	0	109.5
45	E	30.3	Very low	32.7	Very low	190 Å²	190	144 Å²	144	89%	0.888	75%	0.747	S	S	*	*			trans	-67.1	129.2	-177.2	-61.8	172.1	110	0	0	112.1
46	K	34.9	Very low	32.8	Very low	205 Å²	205	137.7 Å²	137.7	89%	0.891	73%	0.726	S	S	*	*			trans	-165.4	108.1	146.9	-104.9	146.3	-170.3	176.4	0	111.3
47	A	32.8	Very low	33.3	Very low	100 Å²	100	133.9 Å²	133.9	83%	0.826	71%	0.712	S	S	*	*			trans	33.6	85.8	160.9	0	0	0	0	0	118.3	K49	A47-K49 PolarHBondContact O-N 3.19Å
48	K	31.3	Very low	33.7	Very low	210 Å²	210	129.8 Å²	129.8	91%	0.913	70%	0.701	S	S	*	*			trans	-69.8	106.4	161.3	-76.5	179.4	177.6	173.3	0	110.5
49	K	34.8	Very low	34	Very low	157 Å²	157	123.9 Å²	123.9	68%	0.683	68%	0.682	S	S	*	*			trans	-69.7	139.2	157.4	-78.9	179.6	156.8	-119.7	0	109.6	A47 E53	A47-K49 PolarHBondContact O-N 3.19Å; K49-E53 VanDerWaalsContact CD-OE2 3.23Å; K49-E53 WeakPolarHBondContact CD-OE2 3.4Å; K49-E53 WeakPolarHBondContact CE-OE2 3.35Å; K49-E53 WeakPolarHBondContact CG-OE2 3.23Å; K49-E53 IonicContact NZ-OE2 2.78Å; K49-E53 PolarHBondContact NZ-OE2 2.78Å
50	T	31.6	Very low	34.5	Very low	77 Å²	77	126 Å²	126	47%	0.472	68%	0.681	S	S	.	*			trans	-75.9	153.7	-171.6	40.1	0	0	0	0	112.6	S52 E53	T50-S52 PolarHBondContact O-N 3.24Å; T50-S52 PolarHBondContact OG1-OG 2.98Å; T50-E53 PolarHBondContact O-N 3.14Å
51	P	35.8	Very low	35.1	Very low	107 Å²	107	120.7 Å²	120.7	70%	0.695	66%	0.657	S	S	*	*	H	α-helix	trans	-58.2	-14	177.7	-26.2	35.6	0	0	0	115.4	E53 T55	P51-E53 VanDerWaalsContact C-N 3.33Å; P51-T55 PolarHBondContact O-OG1 2.96Å; P51-T55 VanDerWaalsContact O-OG1 3.14Å
52	S	33.4	Very low	35.6	Very low	72 Å²	72	124.2 Å²	124.2	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-79	-6.4	174.3	54.1	0	0	0	0	114.6	T50 K56	T50-S52 PolarHBondContact O-N 3.24Å; T50-S52 PolarHBondContact OG1-OG 2.98Å; S52-K56 WeakPolarHBondContact O-CE 3.28Å
53	E	34.5	Very low	35.8	Very low	77 Å²	77	119.9 Å²	119.9	36%	0.36	65%	0.649	S	S	.	*	H	α-helix	trans	-94.3	-38.5	171.5	-62.2	-159.1	142.5	0	0	112.3	K49 T50 P51 T55 K56	K49-E53 VanDerWaalsContact CD-OE2 3.23Å; K49-E53 WeakPolarHBondContact CD-OE2 3.4Å; K49-E53 WeakPolarHBondContact CE-OE2 3.35Å; K49-E53 WeakPolarHBondContact CG-OE2 3.23Å; K49-E53 IonicContact NZ-OE2 2.78Å; K49-E53 PolarHBondContact NZ-OE2 2.78Å; T50-E53 PolarHBondContact O-N 3.14Å; P51-E53 VanDerWaalsContact C-N 3.33Å; E53-T55 PolarHBondContact O-N 2.79Å; E53-K56 WeakPolarHBondContact O-CB 3.33Å; E53-K56 PolarHBondContact O-N 2.7Å
54	L	36.5	Very low	36.3	Very low	134 Å²	134	118.7 Å²	118.7	70%	0.702	64%	0.641	S	S	*	*	H	α-helix	trans	-63.5	-24.1	177.3	-79.1	141.4	0	0	0	113.3
55	T	34.8	Very low	37.1	Very low	82 Å²	82	116.1 Å²	116.1	50%	0.503	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-17.4	174.7	33.7	0	0	0	0	113.8	P51 E53 T59	P51-T55 PolarHBondContact O-OG1 2.96Å; P51-T55 VanDerWaalsContact O-OG1 3.14Å; E53-T55 PolarHBondContact O-N 2.79Å; T55-T59 VanDerWaalsContact O-CB 3.23Å; T55-T59 WeakPolarHBondContact O-CB 3.27Å; T55-T59 PolarHBondContact O-N 3.23Å; T55-T59 PolarHBondContact O-OG1 3.44Å
56	K	33.7	Very low	39.4	Very low	115 Å²	115	110.3 Å²	110.3	50%	0.5	61%	0.605	S	S	.	*	H	α-helix	trans	-70	-48.8	-176.5	-68.9	179.3	-179.7	177.2	0	112.6	S52 E53 A58 T59 E60	S52-K56 WeakPolarHBondContact O-CE 3.28Å; E53-K56 WeakPolarHBondContact O-CB 3.33Å; E53-K56 PolarHBondContact O-N 2.7Å; K56-A58 VanDerWaalsContact C-N 3.26Å; K56-A58 PolarHBondContact O-N 3.44Å; K56-T59 PolarHBondContact O-N 3.37Å; K56-E60 WeakPolarHBondContact O-CG 3.43Å; K56-E60 PolarHBondContact O-N 3.35Å
57	S	40.6	Very low	42	Very low	78 Å²	78	105.2 Å²	105.2	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-58.2	-34.1	-178.5	-176.9	0	0	0	0	113.7
58	A	39.9	Very low	44.8	Very low	71 Å²	71	101.4 Å²	101.4	59%	0.587	55%	0.552	S	S	*	*	H	α-helix	trans	-83.3	-14	175.7	0	0	0	0	0	114.4	K56	K56-A58 VanDerWaalsContact C-N 3.26Å; K56-A58 PolarHBondContact O-N 3.44Å
59	T	38.2	Very low	47.8	Very low	72 Å²	72	96.8 Å²	96.8	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-105.7	-29.4	-173.2	-54.7	0	0	0	0	112.9	T55 K56 L61 R62	T55-T59 VanDerWaalsContact O-CB 3.23Å; T55-T59 WeakPolarHBondContact O-CB 3.27Å; T55-T59 PolarHBondContact O-N 3.23Å; T55-T59 PolarHBondContact O-OG1 3.44Å; K56-T59 PolarHBondContact O-N 3.37Å; T59-L61 PolarHBondContact O-N 3.08Å; T59-R62 WeakPolarHBondContact O-CB 3.46Å; T59-R62 PolarHBondContact O-N 3.01Å
60	E	38.3	Very low	50.5	Low	139 Å²	139	89.3 Å²	89.3	65%	0.65	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-56.7	-25.4	-179.7	-81.5	170.7	172.4	0	0	114.3	K56 R62	K56-E60 WeakPolarHBondContact O-CG 3.43Å; K56-E60 PolarHBondContact O-N 3.35Å; E60-R62 PolarHBondContact O-N 3.15Å
61	L	48.5	Very low	53.5	Low	49 Å²	49	92.2 Å²	92.2	26%	0.257	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-67.8	-15.7	172.9	-82.9	157.4	0	0	0	113.4	T59 R66	T59-L61 PolarHBondContact O-N 3.08Å; L61-R66 HydrophobicContact CD2-CB 4.4Å; L61-R66 HydrophobicContact CD2-CG 3.97Å; L61-R66 VanDerWaalsContact O-CG 3.31Å; L61-R66 WeakPolarHBondContact O-CG 3.35Å; L61-R66 PolarHBondContact O-NE 3.05Å; L61-R66 PolarHBondContact O-NH2 3.11Å
62	R	42.3	Very low	56.1	Low	195 Å²	195	90 Å²	90	74%	0.736	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-84.4	-17	-160.9	-69.9	-173.1	178	-167.6	-2.2	118.2	T59 E60	T59-R62 WeakPolarHBondContact O-CB 3.46Å; T59-R62 PolarHBondContact O-N 3.01Å; E60-R62 PolarHBondContact O-N 3.15Å
63	S	36.6	Very low	59	Low	109 Å²	109	91.2 Å²	91.2	76%	0.762	50%	0.502	S	S	*	.	S	Bend	trans	-130	-3.5	-163	51.8	0	0	0	0	118.2
64	T	37.3	Very low	61.9	Low	110 Å²	110	89.8 Å²	89.8	68%	0.675	50%	0.498	S	S	*	.	S	Bend	trans	-129.1	163.2	172.8	52	0	0	0	0	110.7	R66	T64-R66 PolarHBondContact O-N 3Å
65	A	52.5	Low	64.8	Low	90 Å²	90	83.7 Å²	83.7	74%	0.744	47%	0.466	S	S	*	.			trans	-57	107.9	175.1	0	0	0	0	0	109.1	I67	A65-I67 PolarHBondContact O-N 2.7Å
66	R	78	Confident	67.7	Low	68 Å²	68	82 Å²	82	26%	0.257	46%	0.458	S	S	.	.			trans	-69	86.3	-170.1	-66.2	172.6	-176.3	-141.5	-11.6	110.5	L61 T64 V77	L61-R66 HydrophobicContact CD2-CB 4.4Å; L61-R66 HydrophobicContact CD2-CG 3.97Å; L61-R66 VanDerWaalsContact O-CG 3.31Å; L61-R66 WeakPolarHBondContact O-CG 3.35Å; L61-R66 PolarHBondContact O-NE 3.05Å; L61-R66 PolarHBondContact O-NH2 3.11Å; T64-R66 PolarHBondContact O-N 3Å; R66-V77 HydrophobicContact CB-CB 3.75Å; R66-V77 HydrophobicContact CB-CG2 4.32Å; R66-V77 WeakPolarHBondContact O-CB 3.36Å; R66-V77 WeakPolarHBondContact O-CG2 3.49Å; R66-V77 PolarHBondContact O-N 2.94Å
67	I	90.5	Very high	70.6	Confident	98 Å²	98	77.6 Å²	77.6	50%	0.503	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.2	171.9	-60.4	171.5	0	0	0	108.4	A65 T74 Y75 M95	A65-I67 PolarHBondContact O-N 2.7Å; I67-T74 HydrophobicContact CG2-CG2 4.31Å; I67-Y75 WeakPolarHBondContact CA-O 3.28Å; I67-M95 HydrophobicContact CD1-CE 3.96Å; I67-M95 HydrophobicContact CD1-SD 3.97Å; I67-M95 HydrophobicContact CG1-SD 3.95Å; I67-M95 HydrophobicContact CG2-SD 3.98Å
68	I	92.4	Very high	73.1	Confident	20 Å²	20	75.8 Å²	75.8	10%	0.103	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151	168.5	62	171.7	0	0	0	109.8	L70 T74 Y75 V77 L103 W105	I68-L70 HydrophobicContact CD1-CD1 4.25Å; I68-L70 HydrophobicContact CD1-CG 4.4Å; I68-T74 WeakPolarHBondContact O-CA 3.06Å; I68-Y75 PolarHBondContact N-O 3.47Å; I68-Y75 PolarHBondContact O-N 3.15Å; I68-V77 HydrophobicContact CB-CG2 4.43Å; I68-V77 HydrophobicContact CD1-CG2 4.05Å; I68-V77 HydrophobicContact CG1-CG2 3.97Å; I68-V77 HydrophobicContact CG2-CG2 3.74Å; I68-L103 HydrophobicContact CD1-CD1 3.44Å; I68-L103 VanDerWaalsContact CD1-CD1 3.44Å; I68-L103 HydrophobicContact CD1-CD2 3.54Å; I68-L103 HydrophobicContact CD1-CG 4.11Å; I68-W105 HydrophobicContact CG2-CZ3 4.33Å
69	E	92.8	Very high	75.6	Confident	112 Å²	112	80.1 Å²	80.1	52%	0.523	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.4	175.6	-162.8	-157.8	136.2	0	0	110.9	G72 K73 T74 K142	E69-G72 PolarHBondContact OE1-N 3.48Å; E69-K73 WeakPolarHBondContact CA-O 3.25Å; E69-T74 HydrophobicContact CG-CG2 4.43Å; E69-K142 PolarHBondContact O-NZ 2.62Å
70	L	93.2	Very high	78.2	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.005	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.4	175.8	-55.1	176.7	0	0	0	107.8	I68 G72 K73 Y75 L103 D140 K142 I150 L152	I68-L70 HydrophobicContact CD1-CD1 4.25Å; I68-L70 HydrophobicContact CD1-CG 4.4Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 3Å; L70-G72 VanDerWaalsContact O-N 3.15Å; L70-K73 PolarHBondContact N-O 2.72Å; L70-K73 PolarHBondContact O-N 3.49Å; L70-Y75 HydrophobicContact CB-CD2 4.48Å; L70-Y75 HydrophobicContact CB-CE2 4.05Å; L70-Y75 HydrophobicContact CD1-CD2 4.3Å; L70-Y75 HydrophobicContact CD1-CE2 4.2Å; L70-Y75 HydrophobicContact CG-CD2 4.37Å; L70-Y75 HydrophobicContact CG-CE2 4.35Å; L70-L103 HydrophobicContact CD1-CD1 4.03Å; L70-D140 WeakPolarHBondContact CB-OD2 3.35Å; L70-K142 HydrophobicContact CD2-CB 3.71Å; L70-K142 HydrophobicContact CD2-CD 3.8Å; L70-K142 HydrophobicContact CD2-CG 4.43Å; L70-I150 HydrophobicContact CD1-CG2 4.27Å; L70-I150 HydrophobicContact CD2-CG2 3.99Å; L70-L152 HydrophobicContact CD1-CB 3.98Å; L70-L152 HydrophobicContact CD1-CD1 4.4Å; L70-L152 HydrophobicContact CD1-CD2 4.26Å; L70-L152 HydrophobicContact CD1-CG 4.45Å
71	H	93.3	Very high	80.6	Confident	137 Å²	137	79.4 Å²	79.4	63%	0.634	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.3	50.3	-179.6	-59.4	118	0	0	0	115.2	K73 D140 H141	H71-K73 VanDerWaalsContact C-N 3.29Å; H71-K73 PolarHBondContact O-N 3.21Å; H71-D140 IonicContact CE1-OD1 3.36Å; H71-D140 PolarHBondContact CE1-OD1 3Å; H71-D140 VanDerWaalsContact CE1-OD1 3.27Å; H71-D140 IonicContact CE1-OD2 3.86Å; H71-D140 IonicContact CG-OD2 2.79Å; H71-D140 IonicContact ND1-OD1 3.27Å; H71-D140 PolarHBondContact ND1-OD1 3.06Å; H71-D140 IonicContact ND1-OD2 3.99Å; H71-D140 PolarHBondContact ND1-OD2 3.23Å; H71-H141 PolarHBondContact CE1-O 2.68Å
72	G	91.1	Very high	82.3	Confident	60 Å²	60	78.4 Å²	78.4	62%	0.619	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-1.3	178.8	0	0	0	0	0	115.6	E69 L70	E69-G72 PolarHBondContact OE1-N 3.48Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 3Å; L70-G72 VanDerWaalsContact O-N 3.15Å
73	K	94	Very high	84.2	Confident	99 Å²	99	74 Å²	74	43%	0.43	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.3	172.7	-70.5	-169	173.1	-164.5	0	111.7	E69 L70 H71 Y75	E69-K73 WeakPolarHBondContact CA-O 3.25Å; L70-K73 PolarHBondContact N-O 2.72Å; L70-K73 PolarHBondContact O-N 3.49Å; H71-K73 VanDerWaalsContact C-N 3.29Å; H71-K73 PolarHBondContact O-N 3.21Å; K73-Y75 HydrophobicContact CB-CD2 4.49Å; K73-Y75 HydrophobicContact CB-CE2 3.59Å
74	T	95.6	Very high	85.7	Confident	47 Å²	47	71 Å²	71	29%	0.288	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.5	179.2	58.4	0	0	0	0	111.6	I67 I68 E69 M95	I67-T74 HydrophobicContact CG2-CG2 4.31Å; I68-T74 WeakPolarHBondContact O-CA 3.06Å; E69-T74 HydrophobicContact CG-CG2 4.43Å; T74-M95 PolarHBondContact O-N 2.65Å
75	Y	96.8	Very high	87.1	Confident	6 Å²	6	68.5 Å²	68.5	2%	0.024	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.2	179.2	-57.1	-100.1	0	0	0	109.7	I67 I68 L70 K73 V92 T93 D94 Y101 L152	I67-Y75 WeakPolarHBondContact CA-O 3.28Å; I68-Y75 PolarHBondContact N-O 3.47Å; I68-Y75 PolarHBondContact O-N 3.15Å; L70-Y75 HydrophobicContact CB-CD2 4.48Å; L70-Y75 HydrophobicContact CB-CE2 4.05Å; L70-Y75 HydrophobicContact CD1-CD2 4.3Å; L70-Y75 HydrophobicContact CD1-CE2 4.2Å; L70-Y75 HydrophobicContact CG-CD2 4.37Å; L70-Y75 HydrophobicContact CG-CE2 4.35Å; K73-Y75 HydrophobicContact CB-CD2 4.49Å; K73-Y75 HydrophobicContact CB-CE2 3.59Å; Y75-V92 HydrophobicContact CD1-CG2 4.13Å; Y75-T93 CarbonylContact C-O 3.51Å; Y75-T93 WeakPolarHBondContact CA-O 3.28Å; Y75-D94 HydrophobicContact CD1-CB 3.86Å; Y75-D94 HydrophobicContact CE1-CB 3.71Å; Y75-Y101 HydrophobicContact CD1-CD2 4.34Å; Y75-Y101 AromaticContact CE1-CD2 4Å; Y75-Y101 HydrophobicContact CE1-CD2 4Å; Y75-Y101 HydrophobicContact CE1-CE2 4.09Å; Y75-L152 HydrophobicContact CD1-CD1 4.32Å; Y75-L152 HydrophobicContact CD1-CD2 4.44Å; Y75-L152 HydrophobicContact CE1-CD1 4.22Å; Y75-L152 HydrophobicContact CE1-CD2 3.59Å; Y75-L152 HydrophobicContact CE2-CD2 4.2Å; Y75-L152 VanDerWaalsContact CZ-CD2 3.46Å; Y75-L152 WeakPolarHBondContact OH-CD2 3.24Å
76	S	96.2	Very high	88	Confident	47 Å²	47	66.4 Å²	66.4	33%	0.329	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.6	169.8	57.8	0	0	0	0	109.7	V92 T93	S76-V92 CarbonylContact O-C 3.6Å; S76-V92 VanDerWaalsContact O-CA 3.23Å; S76-V92 WeakPolarHBondContact O-CA 3.43Å; S76-T93 PolarHBondContact N-O 3.15Å; S76-T93 PolarHBondContact O-N 2.86Å; S76-T93 PolarHBondContact OG-O 2.93Å; S76-T93 VanDerWaalsContact OG-O 3.14Å
77	V	95.2	Very high	88.3	Confident	21 Å²	21	63.8 Å²	63.8	13%	0.127	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.7	179.3	-177.5	0	0	0	0	109.8	R66 I68 Y90 V92	R66-V77 HydrophobicContact CB-CB 3.75Å; R66-V77 HydrophobicContact CB-CG2 4.32Å; R66-V77 WeakPolarHBondContact O-CB 3.36Å; R66-V77 WeakPolarHBondContact O-CG2 3.49Å; R66-V77 PolarHBondContact O-N 2.94Å; I68-V77 HydrophobicContact CB-CG2 4.43Å; I68-V77 HydrophobicContact CD1-CG2 4.05Å; I68-V77 HydrophobicContact CG1-CG2 3.97Å; I68-V77 HydrophobicContact CG2-CG2 3.74Å; V77-Y90 HydrophobicContact CG1-CD1 3.73Å; V77-Y90 HydrophobicContact CG1-CG 3.73Å; V77-V92 HydrophobicContact CB-CG1 4.19Å; V77-V92 HydrophobicContact CG1-CG1 4.15Å; V77-V92 HydrophobicContact CG2-CG1 3.83Å
78	G	92.6	Very high	88.3	Confident	41 Å²	41	62.9 Å²	62.9	42%	0.423	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-142.8	177.6	0	0	0	0	0	113.1	I91	G78-I91 WeakPolarHBondContact CA-O 3.31Å; G78-I91 PolarHBondContact N-O 2.95Å
79	K	92.6	Very high	88.3	Confident	162 Å²	162	63.6 Å²	63.6	70%	0.704	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.4	-172.9	-178.7	177.8	176.5	-176.7	0	112.4	I81 I91	K79-I81 PolarHBondContact O-N 3.38Å; K79-I91 PolarHBondContact O-N 2.95Å
80	R	92	Very high	88.4	Confident	103 Å²	103	59.4 Å²	59.4	39%	0.389	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124	165.9	-166.4	174.5	65.7	167.6	15.8	110.8	G82 E83 V89 Y90	R80-G82 WeakPolarHBondContact CG-O 3.43Å; R80-E83 IonicContact CZ-OE1 3.94Å; R80-E83 IonicContact CZ-OE2 3.34Å; R80-E83 IonicContact NH1-OE1 3.67Å; R80-E83 PolarHBondContact NH1-OE1 2.93Å; R80-E83 IonicContact NH1-OE2 3.25Å; R80-E83 PolarHBondContact NH1-OE2 3.46Å; R80-E83 IonicContact NH2-OE2 2.78Å; R80-E83 PolarHBondContact NH2-OE2 2.9Å; R80-V89 CarbonylContact C-O 3.58Å; R80-V89 WeakPolarHBondContact CA-O 3.49Å; R80-V89 WeakPolarHBondContact CG-O 3.44Å; R80-Y90 HydrophobicContact CB-CD1 3.76Å; R80-Y90 HydrophobicContact CB-CE1 3.65Å; R80-Y90 HydrophobicContact CG-CD1 4.11Å; R80-Y90 HydrophobicContact CG-CE1 3.85Å
81	I	89.5	Confident	88.5	Confident	93 Å²	93	60.6 Å²	60.6	48%	0.477	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-16.6	-179.4	54.5	169.9	0	0	0	113.7	K79 V89 I91 A102	K79-I81 PolarHBondContact O-N 3.38Å; I81-V89 HydrophobicContact CD1-CG1 3.91Å; I81-V89 HydrophobicContact CG1-CB 4.14Å; I81-V89 HydrophobicContact CG1-CG1 3.8Å; I81-V89 WeakPolarHBondContact CG1-O 3.24Å; I81-V89 PolarHBondContact N-O 3.19Å; I81-I91 HydrophobicContact CD1-CG1 4.22Å; I81-I91 HydrophobicContact CG2-CD1 3.49Å; I81-I91 VanDerWaalsContact CG2-CD1 3.49Å; I81-I91 HydrophobicContact CG2-CG1 3.62Å; I81-A102 HydrophobicContact CD1-CB 4.48Å
82	G	83.5	Confident	88.6	Confident	27 Å²	27	54 Å²	54	28%	0.278	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.9	175.9	0	0	0	0	0	112.9	R80 V89	R80-G82 WeakPolarHBondContact CG-O 3.43Å; G82-V89 PolarHBondContact N-O 3.09Å; G82-V89 VanDerWaalsContact N-O 3.12Å; G82-V89 PolarHBondContact O-N 3.46Å
83	E	82	Confident	88.9	Confident	104 Å²	104	52.6 Å²	52.6	49%	0.486	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	129.4	171.5	-179.3	159.7	-120.3	0	0	108.3	R80 K88	R80-E83 IonicContact CZ-OE1 3.94Å; R80-E83 IonicContact CZ-OE2 3.34Å; R80-E83 IonicContact NH1-OE1 3.67Å; R80-E83 PolarHBondContact NH1-OE1 2.93Å; R80-E83 IonicContact NH1-OE2 3.25Å; R80-E83 PolarHBondContact NH1-OE2 3.46Å; R80-E83 IonicContact NH2-OE2 2.78Å; R80-E83 PolarHBondContact NH2-OE2 2.9Å; E83-K88 HydrophobicContact CG-CG 4.21Å; E83-K88 WeakPolarHBondContact OE1-CE 3.37Å
84	G	69.5	Low	89	Confident	44 Å²	44	48 Å²	48	45%	0.454	28%	0.283	S	S	.	.			trans	-126.3	-173.3	172	0	0	0	0	0	110.1	T86 A87	G84-T86 VanDerWaalsContact C-N 3.32Å; G84-T86 PolarHBondContact O-N 3.32Å; G84-A87 PolarHBondContact N-O 2.96Å
85	G	66.1	Low	88.9	Confident	58 Å²	58	49.6 Å²	49.6	60%	0.598	29%	0.288	S	S	*	.	S	Bend	trans	-59.5	-36.9	-173.1	0	0	0	0	0	114.9
86	T	70.5	Confident	88.8	Confident	46 Å²	46	54.5 Å²	54.5	28%	0.282	32%	0.315	S	S	.	.	S	Bend	trans	-120.9	-7.9	-176.9	52.7	0	0	0	0	113.9	G84 I106 D107	G84-T86 VanDerWaalsContact C-N 3.32Å; G84-T86 PolarHBondContact O-N 3.32Å; T86-I106 WeakPolarHBondContact O-CA 3.43Å; T86-D107 PolarHBondContact O-N 3.22Å
87	A	84.8	Confident	88.7	Confident	14 Å²	14	55 Å²	55	12%	0.116	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141	-167.7	0	0	0	0	0	112.9	G84 K104 W105 I106	G84-A87 PolarHBondContact N-O 2.96Å; A87-K104 HydrophobicContact CB-CG 4.37Å; A87-W105 CarbonylContact C-O 3.48Å; A87-W105 VanDerWaalsContact CA-O 3.24Å; A87-W105 WeakPolarHBondContact CA-O 3.47Å; A87-I106 HydrophobicContact CB-CG1 3.97Å
88	K	90.2	Very high	88.6	Confident	78 Å²	78	58.5 Å²	58.5	34%	0.339	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.1	175.1	-67.9	160.7	-173.8	157.5	0	108.4	E83 Y90 W105	E83-K88 HydrophobicContact CG-CG 4.21Å; E83-K88 WeakPolarHBondContact OE1-CE 3.37Å; K88-Y90 HydrophobicContact CB-CD2 4.44Å; K88-Y90 HydrophobicContact CB-CE2 3.59Å; K88-W105 PolarHBondContact N-O 3.27Å; K88-W105 PolarHBondContact O-N 3.46Å
89	V	92.7	Very high	88.7	Confident	35 Å²	35	63.2 Å²	63.2	21%	0.212	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.1	-178.4	-169.1	0	0	0	0	109.9	R80 I81 G82 A102 L103 K104	R80-V89 CarbonylContact C-O 3.58Å; R80-V89 WeakPolarHBondContact CA-O 3.49Å; R80-V89 WeakPolarHBondContact CG-O 3.44Å; I81-V89 HydrophobicContact CD1-CG1 3.91Å; I81-V89 HydrophobicContact CG1-CB 4.14Å; I81-V89 HydrophobicContact CG1-CG1 3.8Å; I81-V89 WeakPolarHBondContact CG1-O 3.24Å; I81-V89 PolarHBondContact N-O 3.19Å; G82-V89 PolarHBondContact N-O 3.09Å; G82-V89 VanDerWaalsContact N-O 3.12Å; G82-V89 PolarHBondContact O-N 3.46Å; V89-A102 HydrophobicContact CG1-CB 4.35Å; V89-L103 CarbonylContact C-O 3.58Å; V89-L103 VanDerWaalsContact CA-O 3.28Å; V89-L103 WeakPolarHBondContact CA-O 3.35Å; V89-K104 HydrophobicContact CG2-CB 4.37Å; V89-K104 HydrophobicContact CG2-CG 4.35Å
90	Y	95	Very high	88.9	Confident	24 Å²	24	59.8 Å²	59.8	9%	0.094	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.4	179.6	-61.3	-93.4	0	0	0	111.2	V77 R80 K88 A102 L103 W105	V77-Y90 HydrophobicContact CG1-CD1 3.73Å; V77-Y90 HydrophobicContact CG1-CG 3.73Å; R80-Y90 HydrophobicContact CB-CD1 3.76Å; R80-Y90 HydrophobicContact CB-CE1 3.65Å; R80-Y90 HydrophobicContact CG-CD1 4.11Å; R80-Y90 HydrophobicContact CG-CE1 3.85Å; K88-Y90 HydrophobicContact CB-CD2 4.44Å; K88-Y90 HydrophobicContact CB-CE2 3.59Å; Y90-A102 CarbonylContact O-C 3.57Å; Y90-A102 WeakPolarHBondContact O-CA 3.32Å; Y90-L103 PolarHBondContact N-O 3.18Å; Y90-L103 PolarHBondContact O-N 3.05Å; Y90-W105 HydrophobicContact CE2-CB 4.48Å
91	I	94.8	Very high	89.1	Confident	26 Å²	26	55.8 Å²	55.8	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.6	155.2	-71	163.7	0	0	0	107.2	G78 K79 I81 R155	G78-I91 WeakPolarHBondContact CA-O 3.31Å; G78-I91 PolarHBondContact N-O 2.95Å; K79-I91 PolarHBondContact O-N 2.95Å; I81-I91 HydrophobicContact CD1-CG1 4.22Å; I81-I91 HydrophobicContact CG2-CD1 3.49Å; I81-I91 VanDerWaalsContact CG2-CD1 3.49Å; I81-I91 HydrophobicContact CG2-CG1 3.62Å; I91-R155 VanDerWaalsContact CD1-NH1 3.32Å; I91-R155 VanDerWaalsContact CG1-NH1 3.31Å
92	V	96.7	Very high	89.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.9	169.5	-53	0	0	0	0	110.2	Y75 S76 V77 E100 Y101 L103 L152	Y75-V92 HydrophobicContact CD1-CG2 4.13Å; S76-V92 CarbonylContact O-C 3.6Å; S76-V92 VanDerWaalsContact O-CA 3.23Å; S76-V92 WeakPolarHBondContact O-CA 3.43Å; V77-V92 HydrophobicContact CB-CG1 4.19Å; V77-V92 HydrophobicContact CG1-CG1 4.15Å; V77-V92 HydrophobicContact CG2-CG1 3.83Å; V92-E100 CarbonylContact O-C 3.53Å; V92-E100 WeakPolarHBondContact O-CA 3.23Å; V92-Y101 PolarHBondContact N-O 3.45Å; V92-Y101 PolarHBondContact O-N 3.24Å; V92-L103 HydrophobicContact CB-CB 4.45Å; V92-L103 HydrophobicContact CG1-CB 3.43Å; V92-L103 VanDerWaalsContact CG1-CB 3.43Å; V92-L103 HydrophobicContact CG1-CD1 4.34Å; V92-L103 HydrophobicContact CG1-CD2 3.98Å; V92-L103 HydrophobicContact CG1-CG 4.12Å; V92-L103 HydrophobicContact CG2-CB 4.12Å; V92-L103 HydrophobicContact CG2-CD1 4.44Å; V92-L152 HydrophobicContact CG2-CD1 3.47Å; V92-L152 VanDerWaalsContact CG2-CD1 3.47Å
93	T	97.1	Very high	89.9	Confident	29 Å²	29	50.6 Å²	50.6	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.3	179.5	-54.5	0	0	0	0	109.3	Y75 S76 M95 R99	Y75-T93 CarbonylContact C-O 3.51Å; Y75-T93 WeakPolarHBondContact CA-O 3.28Å; S76-T93 PolarHBondContact N-O 3.15Å; S76-T93 PolarHBondContact O-N 2.86Å; S76-T93 PolarHBondContact OG-O 2.93Å; S76-T93 VanDerWaalsContact OG-O 3.14Å; T93-M95 PolarHBondContact O-N 2.9Å; T93-R99 WeakPolarHBondContact CA-O 3.47Å
94	D	96.4	Very high	90.5	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	122.4	170.4	170.1	-22.9	0	0	0	109	Y75 D96 S97 N98 R99 Y101	Y75-D94 HydrophobicContact CD1-CB 3.86Å; Y75-D94 HydrophobicContact CE1-CB 3.71Å; D94-D96 VanDerWaalsContact C-N 3.31Å; D94-D96 PolarHBondContact O-N 2.7Å; D94-D96 PolarHBondContact OD1-N 3.34Å; D94-S97 WeakPolarHBondContact CB-OG 3.48Å; D94-S97 PolarHBondContact OD1-N 2.9Å; D94-S97 PolarHBondContact OD1-OG 2.71Å; D94-S97 PolarHBondContact OD2-OG 3.18Å; D94-N98 WeakPolarHBondContact O-CA 3.36Å; D94-N98 PolarHBondContact O-N 2.95Å; D94-R99 PolarHBondContact N-O 3.22Å; D94-Y101 HydrophobicContact CB-CD2 4.28Å; D94-Y101 HydrophobicContact CB-CE2 3.73Å
95	M	93.8	Very high	91.6	Very high	80 Å²	80	46.8 Å²	46.8	39%	0.394	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.4	-170.4	-65.8	-179.3	57.8	0	0	113.3	I67 T74 T93	I67-M95 HydrophobicContact CD1-CE 3.96Å; I67-M95 HydrophobicContact CD1-SD 3.97Å; I67-M95 HydrophobicContact CG1-SD 3.95Å; I67-M95 HydrophobicContact CG2-SD 3.98Å; T74-M95 PolarHBondContact O-N 2.65Å; T93-M95 PolarHBondContact O-N 2.9Å
96	D	93.8	Very high	92.7	Very high	108 Å²	108	44.2 Å²	44.2	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-52.1	177.1	-57.3	-43.7	0	0	0	110.1	D94 R365	D94-D96 VanDerWaalsContact C-N 3.31Å; D94-D96 PolarHBondContact O-N 2.7Å; D94-D96 PolarHBondContact OD1-N 3.34Å; D96-R365 PolarHBondContact O-NH2 2.82Å
97	S	94.6	Very high	93.5	Very high	59 Å²	59	45.4 Å²	45.4	41%	0.413	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15	-173.1	74.9	0	0	0	0	114.4	D94 R99	D94-S97 WeakPolarHBondContact CB-OG 3.48Å; D94-S97 PolarHBondContact OD1-N 2.9Å; D94-S97 PolarHBondContact OD1-OG 2.71Å; D94-S97 PolarHBondContact OD2-OG 3.18Å; S97-R99 PolarHBondContact O-N 3.23Å; S97-R99 VanDerWaalsContact OG-CB 3.29Å; S97-R99 WeakPolarHBondContact OG-CB 3.23Å; S97-R99 PolarHBondContact OG-N 3.06Å
98	N	93.2	Very high	93.7	Very high	93 Å²	93	45 Å²	45	50%	0.497	22%	0.222	S	C	.	.			trans	56.2	20.9	-167.4	-74.3	-26	0	0	0	114	D94	D94-N98 WeakPolarHBondContact O-CA 3.36Å; D94-N98 PolarHBondContact O-N 2.95Å
99	R	94.8	Very high	93.4	Very high	141 Å²	141	45.7 Å²	45.7	53%	0.532	23%	0.228	S	C	.	.			trans	-83.7	132.9	177.6	-173.9	167.9	179.1	-176.6	6.6	111.2	T93 D94 S97 Y101	T93-R99 WeakPolarHBondContact CA-O 3.47Å; D94-R99 PolarHBondContact N-O 3.22Å; S97-R99 PolarHBondContact O-N 3.23Å; S97-R99 VanDerWaalsContact OG-CB 3.29Å; S97-R99 WeakPolarHBondContact OG-CB 3.23Å; S97-R99 PolarHBondContact OG-N 3.06Å; R99-Y101 HydrophobicContact CB-CE2 3.87Å; R99-Y101 WeakPolarHBondContact CD-OH 3.48Å; R99-Y101 HydrophobicContact CG-CE1 4.45Å; R99-Y101 HydrophobicContact CG-CE2 3.92Å; R99-Y101 VanDerWaalsContact O-CD2 3.27Å; R99-Y101 WeakPolarHBondContact O-CD2 3.43Å; R99-Y101 WeakPolarHBondContact O-CE2 3.26Å
100	E	95.2	Very high	92.7	Very high	89 Å²	89	51.1 Å²	51.1	42%	0.416	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.1	176.2	-55.3	-170.7	104.8	0	0	112	V92 R155	V92-E100 CarbonylContact O-C 3.53Å; V92-E100 WeakPolarHBondContact O-CA 3.23Å; E100-R155 IonicContact OE1-CZ 3.01Å; E100-R155 IonicContact OE1-NH1 2.84Å; E100-R155 PolarHBondContact OE1-NH1 2.87Å; E100-R155 IonicContact OE1-NH2 2.98Å; E100-R155 IonicContact OE2-CZ 2.71Å; E100-R155 IonicContact OE2-NH1 2.71Å; E100-R155 PolarHBondContact OE2-NH1 2.91Å; E100-R155 IonicContact OE2-NH2 2.8Å; E100-R155 PolarHBondContact OE2-NH2 2.81Å
101	Y	96.1	Very high	92	Very high	20 Å²	20	51.3 Å²	51.3	8%	0.078	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	170.6	177.4	-61.5	-85.5	0	0	0	110.3	Y75 V92 D94 R99 I139 L152	Y75-Y101 HydrophobicContact CD1-CD2 4.34Å; Y75-Y101 AromaticContact CE1-CD2 4Å; Y75-Y101 HydrophobicContact CE1-CD2 4Å; Y75-Y101 HydrophobicContact CE1-CE2 4.09Å; V92-Y101 PolarHBondContact N-O 3.45Å; V92-Y101 PolarHBondContact O-N 3.24Å; D94-Y101 HydrophobicContact CB-CD2 4.28Å; D94-Y101 HydrophobicContact CB-CE2 3.73Å; R99-Y101 HydrophobicContact CB-CE2 3.87Å; R99-Y101 WeakPolarHBondContact CD-OH 3.48Å; R99-Y101 HydrophobicContact CG-CE1 4.45Å; R99-Y101 HydrophobicContact CG-CE2 3.92Å; R99-Y101 VanDerWaalsContact O-CD2 3.27Å; R99-Y101 WeakPolarHBondContact O-CD2 3.43Å; R99-Y101 WeakPolarHBondContact O-CE2 3.26Å; Y101-I139 HydrophobicContact CD1-CG1 3.86Å; Y101-I139 HydrophobicContact CE1-CD1 4.28Å; Y101-I139 HydrophobicContact CE1-CG1 3.89Å; Y101-I139 HydrophobicContact CE1-CG2 4.15Å; Y101-L152 HydrophobicContact CG-CD1 4.15Å; Y101-L152 HydrophobicContact CG-CG 4.36Å
102	A	95.4	Very high	91.4	Very high	10 Å²	10	53 Å²	53	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	171	0	0	0	0	0	109.7	I81 V89 Y90 L153 R155	I81-A102 HydrophobicContact CD1-CB 4.48Å; V89-A102 HydrophobicContact CG1-CB 4.35Å; Y90-A102 CarbonylContact O-C 3.57Å; Y90-A102 WeakPolarHBondContact O-CA 3.32Å; A102-L153 HydrophobicContact CB-CB 4.35Å; A102-L153 PolarHBondContact N-O 3.5Å; A102-L153 PolarHBondContact O-N 3.3Å; A102-R155 HydrophobicContact CB-CB 4.39Å
103	L	95.7	Very high	90.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	107	-179.1	-169.6	92.8	0	0	0	109.9	I68 L70 V89 Y90 V92 W105 I150 M151 L152	I68-L103 HydrophobicContact CD1-CD1 3.44Å; I68-L103 VanDerWaalsContact CD1-CD1 3.44Å; I68-L103 HydrophobicContact CD1-CD2 3.54Å; I68-L103 HydrophobicContact CD1-CG 4.11Å; L70-L103 HydrophobicContact CD1-CD1 4.03Å; V89-L103 CarbonylContact C-O 3.58Å; V89-L103 VanDerWaalsContact CA-O 3.28Å; V89-L103 WeakPolarHBondContact CA-O 3.35Å; Y90-L103 PolarHBondContact N-O 3.18Å; Y90-L103 PolarHBondContact O-N 3.05Å; V92-L103 HydrophobicContact CB-CB 4.45Å; V92-L103 HydrophobicContact CG1-CB 3.43Å; V92-L103 VanDerWaalsContact CG1-CB 3.43Å; V92-L103 HydrophobicContact CG1-CD1 4.34Å; V92-L103 HydrophobicContact CG1-CD2 3.98Å; V92-L103 HydrophobicContact CG1-CG 4.12Å; V92-L103 HydrophobicContact CG2-CB 4.12Å; V92-L103 HydrophobicContact CG2-CD1 4.44Å; L103-W105 HydrophobicContact CD2-CE3 4.2Å; L103-W105 PolarHBondContact O-N 3.36Å; L103-I150 HydrophobicContact CD1-CG2 3.39Å; L103-I150 HydrophobicContact CD2-CG2 4.22Å; L103-I150 HydrophobicContact CG-CG2 3.82Å; L103-M151 CarbonylContact C-O 3.5Å; L103-M151 WeakPolarHBondContact CA-O 3.43Å; L103-L152 HydrophobicContact CD1-CB 4.46Å; L103-L152 HydrophobicContact CD1-CD1 3.88Å
104	K	93.3	Very high	90	Very high	13 Å²	13	65.2 Å²	65.2	6%	0.057	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	102.4	173.4	-177.5	166.3	166.5	-171.6	0	107.8	A87 V89 I106 E122 M151 L153 D216	A87-K104 HydrophobicContact CB-CG 4.37Å; V89-K104 HydrophobicContact CG2-CB 4.37Å; V89-K104 HydrophobicContact CG2-CG 4.35Å; K104-I106 HydrophobicContact CG-CD1 4.38Å; K104-I106 HydrophobicContact CG-CG1 4.25Å; K104-E122 VanDerWaalsContact NZ-CD 3.3Å; K104-E122 IonicContact NZ-OE1 3.03Å; K104-E122 PolarHBondContact NZ-OE1 3.3Å; K104-E122 IonicContact NZ-OE2 3.47Å; K104-E122 PolarHBondContact NZ-OE2 2.86Å; K104-M151 HydrophobicContact CB-CB 4.46Å; K104-M151 HydrophobicContact CB-CE 4.26Å; K104-M151 HydrophobicContact CD-CE 3.66Å; K104-M151 HydrophobicContact CG-CE 3.91Å; K104-M151 PolarHBondContact N-O 3.2Å; K104-M151 PolarHBondContact O-N 3.3Å; K104-L153 HydrophobicContact CB-CD1 4.15Å; K104-D216 IonicContact NZ-OD2 2.65Å; K104-D216 PolarHBondContact NZ-OD2 3.43Å
105	W	93.2	Very high	89.2	Confident	55 Å²	55	66.5 Å²	66.5	21%	0.208	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.4	174.8	-173.3	-61.6	0	0	0	109.2	I68 A87 K88 Y90 L103 Y148 I150	I68-W105 HydrophobicContact CG2-CZ3 4.33Å; A87-W105 CarbonylContact C-O 3.48Å; A87-W105 VanDerWaalsContact CA-O 3.24Å; A87-W105 WeakPolarHBondContact CA-O 3.47Å; K88-W105 PolarHBondContact N-O 3.27Å; K88-W105 PolarHBondContact O-N 3.46Å; Y90-W105 HydrophobicContact CE2-CB 4.48Å; L103-W105 HydrophobicContact CD2-CE3 4.2Å; L103-W105 PolarHBondContact O-N 3.36Å; W105-Y148 HydrophobicContact CH2-CD1 4.37Å; W105-Y148 AromaticContact CZ2-CD1 3.8Å; W105-Y148 HydrophobicContact CZ2-CD1 3.8Å; W105-Y148 HydrophobicContact CZ2-CE1 4.35Å; W105-Y148 AromaticContact CZ2-CG 3.93Å; W105-Y148 HydrophobicContact CZ2-CG 3.93Å; W105-I150 HydrophobicContact CD2-CD1 4.22Å; W105-I150 HydrophobicContact CD2-CG1 3.95Å; W105-I150 HydrophobicContact CE3-CD1 3.62Å; W105-I150 HydrophobicContact CE3-CG1 3.73Å; W105-I150 HydrophobicContact CG-CG1 4.44Å; W105-I150 HydrophobicContact CH2-CD1 3.86Å; W105-I150 HydrophobicContact CZ2-CD1 4.41Å; W105-I150 HydrophobicContact CZ3-CD1 3.43Å; W105-I150 VanDerWaalsContact CZ3-CD1 3.43Å; W105-I150 HydrophobicContact CZ3-CG1 4.08Å
106	I	90.1	Very high	88.8	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.4	-179.4	-51.8	-175.5	0	0	0	108	T86 A87 K104 L108 L119 Y148 L149 M151	T86-I106 WeakPolarHBondContact O-CA 3.43Å; A87-I106 HydrophobicContact CB-CG1 3.97Å; K104-I106 HydrophobicContact CG-CD1 4.38Å; K104-I106 HydrophobicContact CG-CG1 4.25Å; I106-L108 HydrophobicContact CG2-CD2 4.07Å; I106-L119 HydrophobicContact CD1-CD2 3.49Å; I106-L119 VanDerWaalsContact CD1-CD2 3.49Å; I106-L119 HydrophobicContact CG2-CD1 4.14Å; I106-L119 HydrophobicContact CG2-CD2 4.32Å; I106-Y148 CarbonylContact O-C 3.54Å; I106-Y148 VanDerWaalsContact O-CA 3.23Å; I106-Y148 WeakPolarHBondContact O-CA 3.43Å; I106-Y148 WeakPolarHBondContact O-CB 3.24Å; I106-L149 HydrophobicContact CB-CB 4.3Å; I106-L149 HydrophobicContact CD1-CD2 4.27Å; I106-L149 PolarHBondContact N-O 3.13Å; I106-L149 PolarHBondContact O-N 3.02Å; I106-M151 HydrophobicContact CD1-CE 3.84Å
107	D	87.6	Confident	88.4	Confident	71 Å²	71	66 Å²	66	38%	0.38	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.1	176.1	-169	-38.1	0	0	0	109.1	T86 I109	T86-D107 PolarHBondContact O-N 3.22Å; D107-I109 WeakPolarHBondContact OD1-CB 3.12Å; D107-I109 VanDerWaalsContact OD1-CG1 3.28Å; D107-I109 WeakPolarHBondContact OD1-CG1 3.34Å; D107-I109 PolarHBondContact OD1-N 2.79Å
108	L	88.3	Confident	87.9	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	31%	0.31	C	S	.	.			trans	-110.5	3.9	-176.1	-58.2	-176.7	0	0	0	114.3	I106 N110 C111 M116 L119 Y143 E147 Y148 L149	I106-L108 HydrophobicContact CG2-CD2 4.07Å; L108-N110 PolarHBondContact O-N 2.94Å; L108-N110 VanDerWaalsContact O-N 3.15Å; L108-C111 HydrophobicContact CB-CB 4.02Å; L108-C111 HydrophobicContact CD2-CB 3.86Å; L108-C111 WeakPolarHBondContact O-CB 3.32Å; L108-C111 PolarHBondContact O-N 3.12Å; L108-M116 HydrophobicContact CD1-SD 3.85Å; L108-M116 HydrophobicContact CD2-SD 3.85Å; L108-M116 HydrophobicContact CG-SD 4.43Å; L108-L119 HydrophobicContact CD2-CD1 3.56Å; L108-Y143 HydrophobicContact CD1-CD2 3.76Å; L108-Y143 HydrophobicContact CD1-CE2 3.43Å; L108-Y143 VanDerWaalsContact CD1-CE2 3.43Å; L108-E147 PolarHBondContact N-O 3.16Å; L108-Y148 WeakPolarHBondContact CD1-O 3.47Å; L108-L149 HydrophobicContact CD1-CB 4.04Å; L108-L149 HydrophobicContact CD2-CB 4.35Å; L108-L149 HydrophobicContact CG-CB 4.4Å
109	I	83.9	Confident	87.7	Confident	93 Å²	93	60 Å²	60	48%	0.477	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.2	-175.8	-66.4	168.6	0	0	0	111.6	D107	D107-I109 WeakPolarHBondContact OD1-CB 3.12Å; D107-I109 VanDerWaalsContact OD1-CG1 3.28Å; D107-I109 WeakPolarHBondContact OD1-CG1 3.34Å; D107-I109 PolarHBondContact OD1-N 2.79Å
110	N	78.6	Confident	87.4	Confident	149 Å²	149	56.9 Å²	56.9	80%	0.797	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	22.2	178	-56.6	-59.6	0	0	0	112.8	L108 Q115	L108-N110 PolarHBondContact O-N 2.94Å; L108-N110 VanDerWaalsContact O-N 3.15Å; N110-Q115 PolarHBondContact O-OE1 3.29Å
111	C	79.1	Confident	87.1	Confident	29 Å²	29	57.9 Å²	57.9	20%	0.196	28%	0.28	C	S	.	.			trans	-90.7	119.4	-175.4	-169.5	0	0	0	0	111.6	L108 Q115 M116	L108-C111 HydrophobicContact CB-CB 4.02Å; L108-C111 HydrophobicContact CD2-CB 3.86Å; L108-C111 WeakPolarHBondContact O-CB 3.32Å; L108-C111 PolarHBondContact O-N 3.12Å; C111-Q115 VanDerWaalsContact CA-OE1 3.28Å; C111-Q115 WeakPolarHBondContact SG-CB 3.43Å; C111-M116 VanDerWaalsContact SG-SD 3.67Å
112	D	82.6	Confident	86.8	Confident	60 Å²	60	57.1 Å²	57.1	32%	0.321	28%	0.277	S	S	.	.			trans	-82.4	178.5	177.7	74.2	46.6	0	0	0	113.6	L114 Q115 M116	D112-L114 PolarHBondContact O-N 2.84Å; D112-L114 VanDerWaalsContact OD1-CA 3.28Å; D112-L114 WeakPolarHBondContact OD1-CA 3.24Å; D112-L114 VanDerWaalsContact OD1-CB 3.27Å; D112-L114 WeakPolarHBondContact OD1-CB 3.36Å; D112-L114 PolarHBondContact OD1-N 2.87Å; D112-Q115 PolarHBondContact O-N 2.92Å; D112-Q115 PolarHBondContact OD1-N 3.08Å; D112-M116 WeakPolarHBondContact O-CB 3.43Å; D112-M116 WeakPolarHBondContact O-CG 3.35Å; D112-M116 PolarHBondContact O-N 3.4Å
113	K	83.9	Confident	86.7	Confident	184 Å²	184	57.2 Å²	57.2	80%	0.8	28%	0.277	S	S	*	.	H	α-helix	trans	-66.4	-30.6	-179.8	-68.6	-176.3	180	178.2	0	114	K117	K113-K117 WeakPolarHBondContact O-CG 3.38Å; K113-K117 PolarHBondContact O-N 3Å
114	L	79.5	Confident	86.6	Confident	103 Å²	103	60.8 Å²	60.8	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-74.8	-44.7	176.4	179.7	62	0	0	0	110	D112 M116 K117 V118	D112-L114 PolarHBondContact O-N 2.84Å; D112-L114 VanDerWaalsContact OD1-CA 3.28Å; D112-L114 WeakPolarHBondContact OD1-CA 3.24Å; D112-L114 VanDerWaalsContact OD1-CB 3.27Å; D112-L114 WeakPolarHBondContact OD1-CB 3.36Å; D112-L114 PolarHBondContact OD1-N 2.87Å; L114-M116 VanDerWaalsContact C-N 3.35Å; L114-M116 PolarHBondContact O-N 3.15Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 PolarHBondContact O-N 3.48Å; L114-K117 VanDerWaalsContact O-N 3.15Å; L114-V118 WeakPolarHBondContact O-CG2 3.34Å; L114-V118 PolarHBondContact O-N 2.95Å
115	Q	81.2	Confident	86.6	Confident	31 Å²	31	60.3 Å²	60.3	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-42.6	174	-71.1	177.2	-28.5	0	0	111.8	N110 C111 D112 K117 V118 L119 L223	N110-Q115 PolarHBondContact O-OE1 3.29Å; C111-Q115 VanDerWaalsContact CA-OE1 3.28Å; C111-Q115 WeakPolarHBondContact SG-CB 3.43Å; D112-Q115 PolarHBondContact O-N 2.92Å; D112-Q115 PolarHBondContact OD1-N 3.08Å; Q115-K117 PolarHBondContact O-N 3.45Å; Q115-V118 WeakPolarHBondContact O-CB 3.19Å; Q115-V118 PolarHBondContact O-N 3.28Å; Q115-L119 WeakPolarHBondContact O-CG 3.16Å; Q115-L119 PolarHBondContact O-N 2.88Å; Q115-L223 VanDerWaalsContact CA-CD2 3.44Å; Q115-L223 HydrophobicContact CB-CD2 3.65Å; Q115-L223 HydrophobicContact CG-CB 4.46Å; Q115-L223 HydrophobicContact CG-CD2 3.91Å; Q115-L223 PolarHBondContact NE2-O 3.14Å; Q115-L223 VanDerWaalsContact O-CD2 3.24Å; Q115-L223 WeakPolarHBondContact O-CD2 3.19Å
116	M	84.8	Confident	86.7	Confident	25 Å²	25	57.9 Å²	57.9	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-39.4	172.5	-79.3	-55	-45.2	0	0	113.4	L108 C111 D112 L114 V118 L119 N120 Y143	L108-M116 HydrophobicContact CD1-SD 3.85Å; L108-M116 HydrophobicContact CD2-SD 3.85Å; L108-M116 HydrophobicContact CG-SD 4.43Å; C111-M116 VanDerWaalsContact SG-SD 3.67Å; D112-M116 WeakPolarHBondContact O-CB 3.43Å; D112-M116 WeakPolarHBondContact O-CG 3.35Å; D112-M116 PolarHBondContact O-N 3.4Å; L114-M116 VanDerWaalsContact C-N 3.35Å; L114-M116 PolarHBondContact O-N 3.15Å; M116-V118 VanDerWaalsContact C-N 3.33Å; M116-V118 PolarHBondContact O-N 2.79Å; M116-L119 PolarHBondContact O-N 2.97Å; M116-L119 HydrophobicContact SD-CD1 4.17Å; M116-N120 WeakPolarHBondContact O-CB 3.43Å; M116-N120 VanDerWaalsContact O-CG 3.27Å; M116-N120 PolarHBondContact O-N 3.27Å; M116-Y143 HydrophobicContact CE-CD2 4Å; M116-Y143 HydrophobicContact CE-CE2 3.33Å; M116-Y143 HydrophobicContact SD-CE2 3.95Å
117	K	85.7	Confident	86.9	Confident	153 Å²	153	62.3 Å²	62.3	67%	0.665	30%	0.303	S	S	*	.	H	α-helix	trans	-62.4	-41.1	173.7	-75.3	172	179	-175.7	0	111.8	K113 L114 Q115 R121	K113-K117 WeakPolarHBondContact O-CG 3.38Å; K113-K117 PolarHBondContact O-N 3Å; L114-K117 WeakPolarHBondContact O-CB 3.24Å; L114-K117 PolarHBondContact O-N 3.48Å; L114-K117 VanDerWaalsContact O-N 3.15Å; Q115-K117 PolarHBondContact O-N 3.45Å; K117-R121 WeakPolarHBondContact O-CB 3.47Å; K117-R121 PolarHBondContact O-N 3.43Å
118	V	84.1	Confident	87.2	Confident	23 Å²	23	65.2 Å²	65.2	14%	0.139	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-40.7	177.9	168.9	0	0	0	0	111.1	L114 Q115 M116 R121 E122 I219 L222 L223	L114-V118 WeakPolarHBondContact O-CG2 3.34Å; L114-V118 PolarHBondContact O-N 2.95Å; Q115-V118 WeakPolarHBondContact O-CB 3.19Å; Q115-V118 PolarHBondContact O-N 3.28Å; M116-V118 VanDerWaalsContact C-N 3.33Å; M116-V118 PolarHBondContact O-N 2.79Å; V118-R121 PolarHBondContact O-N 2.81Å; V118-E122 PolarHBondContact O-N 3.48Å; V118-I219 HydrophobicContact CB-CG2 4.46Å; V118-I219 HydrophobicContact CG1-CG2 3.47Å; V118-I219 VanDerWaalsContact CG1-CG2 3.47Å; V118-I219 VanDerWaalsContact CG1-O 3.24Å; V118-I219 WeakPolarHBondContact CG1-O 3.34Å; V118-I219 WeakPolarHBondContact O-CG2 3.47Å; V118-L222 HydrophobicContact CG1-CB 4.22Å; V118-L223 HydrophobicContact CB-CD2 3.59Å; V118-L223 HydrophobicContact CG1-CD2 3.38Å; V118-L223 HydrophobicContact CG1-CG 3.79Å
119	L	87.6	Confident	87.4	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-47.5	174.3	-72.9	174.1	0	0	0	113.2	I106 L108 Q115 M116 R121 E122 I123 L149 L223	I106-L119 HydrophobicContact CD1-CD2 3.49Å; I106-L119 VanDerWaalsContact CD1-CD2 3.49Å; I106-L119 HydrophobicContact CG2-CD1 4.14Å; I106-L119 HydrophobicContact CG2-CD2 4.32Å; L108-L119 HydrophobicContact CD2-CD1 3.56Å; Q115-L119 WeakPolarHBondContact O-CG 3.16Å; Q115-L119 PolarHBondContact O-N 2.88Å; M116-L119 PolarHBondContact O-N 2.97Å; M116-L119 HydrophobicContact SD-CD1 4.17Å; L119-R121 PolarHBondContact O-N 3.04Å; L119-E122 WeakPolarHBondContact O-CB 3.38Å; L119-E122 PolarHBondContact O-N 3.22Å; L119-I123 PolarHBondContact O-N 2.87Å; L119-L149 HydrophobicContact CB-CD2 4.01Å; L119-L149 HydrophobicContact CD1-CD2 4.31Å; L119-L149 HydrophobicContact CD2-CD2 4.31Å; L119-L149 HydrophobicContact CG-CD2 4.45Å; L119-L223 HydrophobicContact CD2-CD1 3.55Å; L119-L223 HydrophobicContact CG-CD1 3.97Å; L119-L223 HydrophobicContact CG-CD2 4.17Å
120	N	89.9	Confident	87.8	Confident	76 Å²	76	65.6 Å²	65.6	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-37.3	176.5	-70.6	-6.1	0	0	0	111.1	M116 E122 I123 E124	M116-N120 WeakPolarHBondContact O-CB 3.43Å; M116-N120 VanDerWaalsContact O-CG 3.27Å; M116-N120 PolarHBondContact O-N 3.27Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 PolarHBondContact O-N 2.85Å; N120-I123 WeakPolarHBondContact O-CB 3.25Å; N120-I123 PolarHBondContact O-N 2.65Å; N120-E124 WeakPolarHBondContact O-CG 3.44Å; N120-E124 PolarHBondContact O-N 3.07Å
121	R	89.2	Confident	88.5	Confident	109 Å²	109	66.9 Å²	66.9	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-32.8	175.6	-173.4	53.5	173.9	-155.8	-6.3	113.2	K117 V118 L119 E124 I125	K117-R121 WeakPolarHBondContact O-CB 3.47Å; K117-R121 PolarHBondContact O-N 3.43Å; V118-R121 PolarHBondContact O-N 2.81Å; L119-R121 PolarHBondContact O-N 3.04Å; R121-E124 VanDerWaalsContact CD-OE2 3.26Å; R121-E124 WeakPolarHBondContact CD-OE2 3.39Å; R121-E124 IonicContact CZ-OE2 2.7Å; R121-E124 IonicContact NE-OE2 3.62Å; R121-E124 IonicContact NH1-OE2 2.72Å; R121-E124 PolarHBondContact NH1-OE2 3.29Å; R121-I125 HydrophobicContact CG-CD1 3.92Å; R121-I125 WeakPolarHBondContact O-CD1 3.35Å; R121-I125 VanDerWaalsContact O-CG1 3.24Å; R121-I125 WeakPolarHBondContact O-CG1 3.44Å; R121-I125 PolarHBondContact O-N 2.9Å
122	E	89.9	Confident	89.2	Confident	4 Å²	4	67 Å²	67	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-44.3	172.6	-160.5	-173	132.3	0	0	110.7	K104 V118 L119 N120 I125 L126 F217	K104-E122 VanDerWaalsContact NZ-CD 3.3Å; K104-E122 IonicContact NZ-OE1 3.03Å; K104-E122 PolarHBondContact NZ-OE1 3.3Å; K104-E122 IonicContact NZ-OE2 3.47Å; K104-E122 PolarHBondContact NZ-OE2 2.86Å; V118-E122 PolarHBondContact O-N 3.48Å; L119-E122 WeakPolarHBondContact O-CB 3.38Å; L119-E122 PolarHBondContact O-N 3.22Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 PolarHBondContact O-N 2.85Å; E122-I125 PolarHBondContact O-N 2.55Å; E122-L126 WeakPolarHBondContact O-CG 3.39Å; E122-L126 PolarHBondContact O-N 3Å; E122-F217 HydrophobicContact CG-CD2 4.22Å
123	I	92.9	Very high	89.7	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-52.4	175.8	-61.4	169.4	0	0	0	111	L119 N120 I125 L126 E127 L138 L149 M151	L119-I123 PolarHBondContact O-N 2.87Å; N120-I123 WeakPolarHBondContact O-CB 3.25Å; N120-I123 PolarHBondContact O-N 2.65Å; I123-I125 PolarHBondContact O-N 2.99Å; I123-I125 VanDerWaalsContact O-N 3.11Å; I123-L126 PolarHBondContact O-N 3.41Å; I123-L126 VanDerWaalsContact O-N 3.07Å; I123-E127 HydrophobicContact CG2-CG 4.26Å; I123-E127 WeakPolarHBondContact O-CG 3.47Å; I123-E127 PolarHBondContact O-N 3.39Å; I123-L138 HydrophobicContact CG2-CD2 3.94Å; I123-L149 HydrophobicContact CD1-CD1 3.86Å; I123-L149 HydrophobicContact CD1-CD2 3.94Å; I123-M151 HydrophobicContact CG1-SD 3.78Å
124	E	93.6	Very high	90.3	Very high	76 Å²	76	58.7 Å²	58.7	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-52.3	-37.7	178.8	-74.7	175.4	-153.8	0	0	112.8	N120 R121 K128	N120-E124 WeakPolarHBondContact O-CG 3.44Å; N120-E124 PolarHBondContact O-N 3.07Å; R121-E124 VanDerWaalsContact CD-OE2 3.26Å; R121-E124 WeakPolarHBondContact CD-OE2 3.39Å; R121-E124 IonicContact CZ-OE2 2.7Å; R121-E124 IonicContact NE-OE2 3.62Å; R121-E124 IonicContact NH1-OE2 2.72Å; R121-E124 PolarHBondContact NH1-OE2 3.29Å; E124-K128 WeakPolarHBondContact O-CB 3.32Å; E124-K128 WeakPolarHBondContact O-CD 3.37Å; E124-K128 VanDerWaalsContact O-CG 3.25Å; E124-K128 WeakPolarHBondContact O-CG 3.49Å; E124-K128 PolarHBondContact O-N 3.37Å; E124-K128 IonicContact OE2-NZ 2.7Å
125	I	93.2	Very high	91	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-76.4	-41.7	-178.9	-66.9	164.5	0	0	0	110.4	R121 E122 I123 E127 K128 L129 I193 V195 F217 I219	R121-I125 HydrophobicContact CG-CD1 3.92Å; R121-I125 WeakPolarHBondContact O-CD1 3.35Å; R121-I125 VanDerWaalsContact O-CG1 3.24Å; R121-I125 WeakPolarHBondContact O-CG1 3.44Å; R121-I125 PolarHBondContact O-N 2.9Å; E122-I125 PolarHBondContact O-N 2.55Å; I123-I125 PolarHBondContact O-N 2.99Å; I123-I125 VanDerWaalsContact O-N 3.11Å; I125-E127 VanDerWaalsContact C-N 3.28Å; I125-E127 PolarHBondContact O-N 3.47Å; I125-K128 PolarHBondContact O-N 2.97Å; I125-L129 HydrophobicContact CG2-CD1 3.72Å; I125-L129 WeakPolarHBondContact O-CB 3.46Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.46Å; I125-I193 HydrophobicContact CG2-CD1 3.95Å; I125-V195 HydrophobicContact CD1-CG1 4.34Å; I125-V195 HydrophobicContact CD1-CG2 3.61Å; I125-V195 HydrophobicContact CG1-CG2 3.98Å; I125-V195 HydrophobicContact CG2-CG2 4.08Å; I125-F217 HydrophobicContact CB-CD2 4.06Å; I125-F217 HydrophobicContact CB-CE2 3.87Å; I125-F217 HydrophobicContact CG2-CD1 4.33Å; I125-F217 HydrophobicContact CG2-CD2 3.63Å; I125-F217 HydrophobicContact CG2-CE1 4.11Å; I125-F217 HydrophobicContact CG2-CE2 3.34Å; I125-F217 HydrophobicContact CG2-CG 4.13Å; I125-F217 HydrophobicContact CG2-CZ 3.62Å; I125-I219 HydrophobicContact CD1-CD1 3.32Å
126	L	94.5	Very high	91.7	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-39	172.9	-72.4	174.8	0	0	0	111.9	E122 I123 L129 K130 V136 L138 M151 L153 F217	E122-L126 WeakPolarHBondContact O-CG 3.39Å; E122-L126 PolarHBondContact O-N 3Å; I123-L126 PolarHBondContact O-N 3.41Å; I123-L126 VanDerWaalsContact O-N 3.07Å; L126-L129 CarbonylContact O-C 3.48Å; L126-L129 PolarHBondContact O-N 3.07Å; L126-K130 PolarHBondContact O-N 3.06Å; L126-K130 VanDerWaalsContact O-N 3.1Å; L126-V136 HydrophobicContact CD2-CG1 3.98Å; L126-L138 HydrophobicContact CB-CB 3.84Å; L126-L138 HydrophobicContact CB-CD2 4.19Å; L126-L138 HydrophobicContact CD1-CB 4.2Å; L126-L138 HydrophobicContact CD1-CD1 4.18Å; L126-L138 HydrophobicContact CD1-CD2 4.45Å; L126-M151 HydrophobicContact CD1-SD 4.25Å; L126-L153 HydrophobicContact CD1-CD2 3.86Å; L126-F217 HydrophobicContact CB-CE2 4.45Å; L126-F217 HydrophobicContact CD2-CE2 3.5Å; L126-F217 HydrophobicContact CD2-CZ 3.75Å; L126-F217 HydrophobicContact CG-CE2 3.69Å; L126-F217 HydrophobicContact CG-CZ 4.38Å
127	E	94.4	Very high	92.1	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-68	-46.1	177.5	-70.6	-175.8	154.7	0	0	112.1	I123 I125 L129 K130 L138 H141	I123-E127 HydrophobicContact CG2-CG 4.26Å; I123-E127 WeakPolarHBondContact O-CG 3.47Å; I123-E127 PolarHBondContact O-N 3.39Å; I125-E127 VanDerWaalsContact C-N 3.28Å; I125-E127 PolarHBondContact O-N 3.47Å; E127-L129 PolarHBondContact O-N 3.4Å; E127-K130 WeakPolarHBondContact O-CB 3.37Å; E127-K130 PolarHBondContact O-N 3.07Å; E127-K130 VanDerWaalsContact O-N 3.16Å; E127-L138 HydrophobicContact CG-CD2 3.94Å; E127-H141 IonicContact OE1-CE1 3.82Å; E127-H141 PolarHBondContact OE1-CE1 2.9Å; E127-H141 IonicContact OE1-ND1 3.97Å
128	K	93.9	Very high	92.6	Very high	132 Å²	132	47.3 Å²	47.3	57%	0.574	22%	0.221	S	C	*	.	H	α-helix	trans	-59.7	-33.5	174.5	-76.4	167.3	-177.1	166.6	0	112.7	E124 I125	E124-K128 WeakPolarHBondContact O-CB 3.32Å; E124-K128 WeakPolarHBondContact O-CD 3.37Å; E124-K128 VanDerWaalsContact O-CG 3.25Å; E124-K128 WeakPolarHBondContact O-CG 3.49Å; E124-K128 PolarHBondContact O-N 3.37Å; E124-K128 IonicContact OE2-NZ 2.7Å; I125-K128 PolarHBondContact O-N 2.97Å
129	L	93.9	Very high	93.1	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.6	-180	-64	170.2	0	0	0	113.7	I125 L126 E127 Q131 V132 V135 I190 I193 F217	I125-L129 HydrophobicContact CG2-CD1 3.72Å; I125-L129 WeakPolarHBondContact O-CB 3.46Å; I125-L129 WeakPolarHBondContact O-CG 3.5Å; I125-L129 PolarHBondContact O-N 3.46Å; L126-L129 CarbonylContact O-C 3.48Å; L126-L129 PolarHBondContact O-N 3.07Å; E127-L129 PolarHBondContact O-N 3.4Å; L129-Q131 PolarHBondContact O-N 3.35Å; L129-V132 HydrophobicContact CB-CB 4.39Å; L129-V132 HydrophobicContact CB-CG2 4.47Å; L129-V132 HydrophobicContact CD2-CB 4.33Å; L129-V132 HydrophobicContact CD2-CG2 3.79Å; L129-V132 WeakPolarHBondContact O-CB 3.43Å; L129-V132 PolarHBondContact O-N 3.44Å; L129-V135 HydrophobicContact CB-CB 4.4Å; L129-V135 HydrophobicContact CB-CG1 4.18Å; L129-V135 HydrophobicContact CD1-CG1 4.26Å; L129-V135 HydrophobicContact CD1-CG2 4.27Å; L129-I190 HydrophobicContact CD1-CG2 3.8Å; L129-I193 HydrophobicContact CD1-CD1 3.82Å; L129-I193 HydrophobicContact CD2-CD1 3.89Å; L129-I193 HydrophobicContact CD2-CG1 4.45Å; L129-I193 HydrophobicContact CG-CD1 3.83Å; L129-F217 HydrophobicContact CD1-CE1 3.82Å; L129-F217 HydrophobicContact CD1-CZ 3.66Å
130	K	92.2	Very high	93.5	Very high	100 Å²	100	50.6 Å²	50.6	44%	0.435	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.9	-176.2	-171.4	168	-173.2	163.2	0	114.5	L126 E127 L138	L126-K130 PolarHBondContact O-N 3.06Å; L126-K130 VanDerWaalsContact O-N 3.1Å; E127-K130 WeakPolarHBondContact O-CB 3.37Å; E127-K130 PolarHBondContact O-N 3.07Å; E127-K130 VanDerWaalsContact O-N 3.16Å; K130-L138 WeakPolarHBondContact CE-O 3.22Å
131	Q	92.2	Very high	93.7	Very high	177 Å²	177	49.7 Å²	49.7	83%	0.827	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.4	175.9	-56.6	-58.3	-19.1	0	0	113.8	L129 D133	L129-Q131 PolarHBondContact O-N 3.35Å; Q131-D133 PolarHBondContact O-N 3.11Å
132	V	94.3	Very high	94	Very high	30 Å²	30	47.7 Å²	47.7	18%	0.182	23%	0.225	C	C	.	.			trans	-85.5	105	179.8	177.5	0	0	0	0	109.6	L129 L134 V135 E189	L129-V132 HydrophobicContact CB-CB 4.39Å; L129-V132 HydrophobicContact CB-CG2 4.47Å; L129-V132 HydrophobicContact CD2-CB 4.33Å; L129-V132 HydrophobicContact CD2-CG2 3.79Å; L129-V132 WeakPolarHBondContact O-CB 3.43Å; L129-V132 PolarHBondContact O-N 3.44Å; V132-L134 HydrophobicContact CG1-CB 4.25Å; V132-L134 PolarHBondContact O-N 3.38Å; V132-L134 VanDerWaalsContact O-N 3.07Å; V132-V135 HydrophobicContact CB-CG2 4.45Å; V132-V135 HydrophobicContact CG1-CB 4.43Å; V132-V135 HydrophobicContact CG1-CG2 3.91Å; V132-V135 PolarHBondContact O-N 3.2Å; V132-V135 VanDerWaalsContact O-N 3.12Å; V132-E189 HydrophobicContact CG1-CB 3.73Å; V132-E189 HydrophobicContact CG1-CG 3.64Å
133	D	93.6	Very high	94.1	Very high	46 Å²	46	52.3 Å²	52.3	25%	0.246	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.1	-175.9	-164.5	51	0	0	0	114.7	Q131 V135 K137 K211 K213	Q131-D133 PolarHBondContact O-N 3.11Å; D133-V135 VanDerWaalsContact C-N 3.33Å; D133-K137 IonicContact OD1-NZ 3.63Å; D133-K137 PolarHBondContact OD1-NZ 3.48Å; D133-K211 WeakPolarHBondContact OD2-CD 3.47Å; D133-K211 WeakPolarHBondContact OD2-CE 3.41Å; D133-K211 IonicContact OD2-NZ 3.3Å; D133-K211 PolarHBondContact OD2-NZ 2.9Å; D133-K213 WeakPolarHBondContact O-CD 3.25Å; D133-K213 WeakPolarHBondContact O-CE 3.2Å; D133-K213 PolarHBondContact O-NZ 3.01Å; D133-K213 IonicContact OD1-NZ 2.79Å; D133-K213 PolarHBondContact OD1-NZ 3.45Å
134	L	95.6	Very high	94	Very high	24 Å²	24	56 Å²	56	13%	0.126	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.7	174	-59.3	178.8	0	0	0	113.5	V132 R185 A186 E189 K213 L214	V132-L134 HydrophobicContact CG1-CB 4.25Å; V132-L134 PolarHBondContact O-N 3.38Å; V132-L134 VanDerWaalsContact O-N 3.07Å; L134-R185 HydrophobicContact CD1-CB 3.43Å; L134-R185 VanDerWaalsContact CD1-CB 3.43Å; L134-A186 HydrophobicContact CB-CB 4.08Å; L134-A186 WeakPolarHBondContact O-CB 3.26Å; L134-E189 HydrophobicContact CD1-CG 4.41Å; L134-K213 CarbonylContact O-C 3.55Å; L134-K213 VanDerWaalsContact O-CA 3.26Å; L134-K213 WeakPolarHBondContact O-CA 3.43Å; L134-L214 PolarHBondContact O-N 3.32Å
135	V	95.2	Very high	93.6	Very high	1 Å²	1	59 Å²	59	1%	0.006	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-125	148.3	178.8	179.2	0	0	0	0	108.3	L129 V132 D133 K137 F217	L129-V135 HydrophobicContact CB-CB 4.4Å; L129-V135 HydrophobicContact CB-CG1 4.18Å; L129-V135 HydrophobicContact CD1-CG1 4.26Å; L129-V135 HydrophobicContact CD1-CG2 4.27Å; V132-V135 HydrophobicContact CB-CG2 4.45Å; V132-V135 HydrophobicContact CG1-CB 4.43Å; V132-V135 HydrophobicContact CG1-CG2 3.91Å; V132-V135 PolarHBondContact O-N 3.2Å; V132-V135 VanDerWaalsContact O-N 3.12Å; D133-V135 VanDerWaalsContact C-N 3.33Å; V135-K137 PolarHBondContact O-N 3.16Å; V135-F217 HydrophobicContact CG1-CE1 3.95Å; V135-F217 HydrophobicContact CG1-CZ 3.72Å
136	V	94.6	Very high	93.1	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.042	30%	0.3	C	S	.	.			trans	-63.7	130.4	175.8	75	0	0	0	0	110.3	L126 L153 E154 L214 I215	L126-V136 HydrophobicContact CD2-CG1 3.98Å; V136-L153 HydrophobicContact CG1-CD2 4.49Å; V136-L153 HydrophobicContact CG2-CB 4.1Å; V136-E154 HydrophobicContact CG2-CB 3.86Å; V136-E154 WeakPolarHBondContact CG2-O 3.32Å; V136-L214 PolarHBondContact N-O 3.28Å; V136-I215 HydrophobicContact CB-CB 4.47Å; V136-I215 HydrophobicContact CB-CG2 4.15Å; V136-I215 HydrophobicContact CG1-CB 4.38Å; V136-I215 HydrophobicContact CG2-CG2 4.43Å
137	K	94.4	Very high	92.8	Very high	61 Å²	61	67.8 Å²	67.8	27%	0.265	32%	0.317	S	S	.	.			trans	-81.2	128.4	-177.9	-66	170.6	-174.2	160.8	0	110.4	D133 V135 I139 L153 E154	D133-K137 IonicContact OD1-NZ 3.63Å; D133-K137 PolarHBondContact OD1-NZ 3.48Å; V135-K137 PolarHBondContact O-N 3.16Å; K137-I139 HydrophobicContact CB-CD1 4.17Å; K137-I139 PolarHBondContact O-N 2.94Å; K137-L153 CarbonylContact O-C 3.58Å; K137-L153 WeakPolarHBondContact O-CA 3.37Å; K137-E154 HydrophobicContact CB-CB 4.24Å; K137-E154 PolarHBondContact O-N 2.92Å
138	L	95.2	Very high	92.6	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	115.9	162.8	-174.9	67.6	0	0	0	108.9	I123 L126 E127 K130 D140 H141 M151 L153	I123-L138 HydrophobicContact CG2-CD2 3.94Å; L126-L138 HydrophobicContact CB-CB 3.84Å; L126-L138 HydrophobicContact CB-CD2 4.19Å; L126-L138 HydrophobicContact CD1-CB 4.2Å; L126-L138 HydrophobicContact CD1-CD1 4.18Å; L126-L138 HydrophobicContact CD1-CD2 4.45Å; E127-L138 HydrophobicContact CG-CD2 3.94Å; K130-L138 WeakPolarHBondContact CE-O 3.22Å; L138-D140 WeakPolarHBondContact CD1-O 3.28Å; L138-H141 HydrophobicContact CD1-CB 4.35Å; L138-M151 HydrophobicContact CD1-CB 3.92Å; L138-M151 HydrophobicContact CD1-CG 4.29Å; L138-L153 HydrophobicContact CB-CD2 4.38Å; L138-L153 HydrophobicContact CD1-CD2 3.7Å
139	I	95.2	Very high	92.6	Very high	63 Å²	63	58.9 Å²	58.9	32%	0.323	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-49.6	179.6	-50.6	-56.6	0	0	0	109	Y101 K137 L152	Y101-I139 HydrophobicContact CD1-CG1 3.86Å; Y101-I139 HydrophobicContact CE1-CD1 4.28Å; Y101-I139 HydrophobicContact CE1-CG1 3.89Å; Y101-I139 HydrophobicContact CE1-CG2 4.15Å; K137-I139 HydrophobicContact CB-CD1 4.17Å; K137-I139 PolarHBondContact O-N 2.94Å; I139-L152 HydrophobicContact CB-CB 4.42Å; I139-L152 HydrophobicContact CB-CD2 4.01Å; I139-L152 HydrophobicContact CB-CG 4.11Å; I139-L152 WeakPolarHBondContact CB-O 3.35Å; I139-L152 HydrophobicContact CG2-CD2 3.86Å; I139-L152 HydrophobicContact CG2-CG 4.49Å; I139-L152 PolarHBondContact N-O 2.79Å
140	D	95.1	Very high	92.6	Very high	31 Å²	31	58.8 Å²	58.8	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	161.8	-179.1	-163.2	9.1	0	0	0	111	L70 H71 L138 L152	L70-D140 WeakPolarHBondContact CB-OD2 3.35Å; H71-D140 IonicContact CE1-OD1 3.36Å; H71-D140 PolarHBondContact CE1-OD1 3Å; H71-D140 VanDerWaalsContact CE1-OD1 3.27Å; H71-D140 IonicContact CE1-OD2 3.86Å; H71-D140 IonicContact CG-OD2 2.79Å; H71-D140 IonicContact ND1-OD1 3.27Å; H71-D140 PolarHBondContact ND1-OD1 3.06Å; H71-D140 IonicContact ND1-OD2 3.99Å; H71-D140 PolarHBondContact ND1-OD2 3.23Å; L138-D140 WeakPolarHBondContact CD1-O 3.28Å; D140-L152 HydrophobicContact CB-CB 4.12Å; D140-L152 HydrophobicContact CB-CD2 4.14Å; D140-L152 PolarHBondContact N-O 2.97Å; D140-L152 WeakPolarHBondContact O-CB 3.31Å; D140-L152 PolarHBondContact O-N 2.89Å
141	H	94.8	Very high	92.7	Very high	57 Å²	57	54 Å²	54	26%	0.264	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	149	171	69	-85.7	0	0	0	112	H71 E127 L138 I150 M151	H71-H141 PolarHBondContact CE1-O 2.68Å; E127-H141 IonicContact OE1-CE1 3.82Å; E127-H141 PolarHBondContact OE1-CE1 2.9Å; E127-H141 IonicContact OE1-ND1 3.97Å; L138-H141 HydrophobicContact CD1-CB 4.35Å; H141-I150 CarbonylContact C-O 3.6Å; H141-I150 WeakPolarHBondContact CA-O 3.47Å; H141-I150 WeakPolarHBondContact CB-O 3.47Å; H141-M151 HydrophobicContact CB-CG 4.18Å
142	K	94.5	Very high	92.9	Very high	67 Å²	67	45.6 Å²	45.6	29%	0.291	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.5	178.8	-175.4	172	178.3	170	0	110.3	E69 L70 I150	E69-K142 PolarHBondContact O-NZ 2.62Å; L70-K142 HydrophobicContact CD2-CB 3.71Å; L70-K142 HydrophobicContact CD2-CD 3.8Å; L70-K142 HydrophobicContact CD2-CG 4.43Å; K142-I150 PolarHBondContact N-O 3.43Å; K142-I150 PolarHBondContact O-N 3.19Å
143	Y	92.2	Very high	92.9	Very high	102 Å²	102	44.8 Å²	44.8	40%	0.4	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.2	175.3	173.3	-108.9	0	0	0	109.8	L108 M116 Q145	L108-Y143 HydrophobicContact CD1-CD2 3.76Å; L108-Y143 HydrophobicContact CD1-CE2 3.43Å; L108-Y143 VanDerWaalsContact CD1-CE2 3.43Å; M116-Y143 HydrophobicContact CE-CD2 4Å; M116-Y143 HydrophobicContact CE-CE2 3.33Å; M116-Y143 HydrophobicContact SD-CE2 3.95Å; Y143-Q145 HydrophobicContact CE1-CB 3.94Å; Y143-Q145 HydrophobicContact CE1-CG 4.46Å
144	K	90.5	Very high	93	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.387	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116	166.9	-169.4	174.9	175.4	-153.7	0	108.5	N146 E147 Y148	K144-N146 PolarHBondContact O-N 3.34Å; K144-E147 HydrophobicContact CB-CB 4.39Å; K144-E147 HydrophobicContact CD-CB 4.41Å; K144-E147 VanDerWaalsContact CD-OE2 3.28Å; K144-E147 WeakPolarHBondContact CD-OE2 3.34Å; K144-E147 WeakPolarHBondContact CE-OE1 3.38Å; K144-E147 VanDerWaalsContact CE-OE2 3.25Å; K144-E147 WeakPolarHBondContact CE-OE2 3.42Å; K144-E147 HydrophobicContact CG-CB 4.29Å; K144-E147 IonicContact NZ-OE1 3.26Å; K144-E147 PolarHBondContact NZ-OE1 3.41Å; K144-E147 IonicContact NZ-OE2 2.7Å; K144-E147 PolarHBondContact NZ-OE2 2.86Å; K144-E147 PolarHBondContact O-N 3.4Å; K144-Y148 HydrophobicContact CB-CD1 4.27Å; K144-Y148 HydrophobicContact CB-CD2 4.05Å; K144-Y148 HydrophobicContact CB-CE1 3.97Å; K144-Y148 HydrophobicContact CB-CE2 3.72Å; K144-Y148 HydrophobicContact CB-CG 4.33Å; K144-Y148 HydrophobicContact CD-CE1 3.76Å; K144-Y148 HydrophobicContact CG-CE1 4.46Å; K144-Y148 PolarHBondContact N-O 3.26Å; K144-Y148 PolarHBondContact O-N 2.8Å; K144-Y148 VanDerWaalsContact O-N 3.11Å
145	Q	85.8	Confident	92.8	Very high	140 Å²	140	46 Å²	46	65%	0.654	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	128.7	-170.2	-173.9	171.2	6.6	0	0	112.1	Y143 E147	Y143-Q145 HydrophobicContact CE1-CB 3.94Å; Y143-Q145 HydrophobicContact CE1-CG 4.46Å; Q145-E147 PolarHBondContact O-N 2.88Å; Q145-E147 VanDerWaalsContact O-N 3.08Å
146	N	83.3	Confident	92.5	Very high	111 Å²	111	46.7 Å²	46.7	59%	0.594	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	12.4	-178.5	-55.5	-2.8	0	0	0	115.9	K144	K144-N146 PolarHBondContact O-N 3.34Å
147	E	88	Confident	92.2	Very high	80 Å²	80	56.8 Å²	56.8	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-63.6	176.1	-72.1	-174.5	-147.3	0	0	112	L108 K144 Q145	L108-E147 PolarHBondContact N-O 3.16Å; K144-E147 HydrophobicContact CB-CB 4.39Å; K144-E147 HydrophobicContact CD-CB 4.41Å; K144-E147 VanDerWaalsContact CD-OE2 3.28Å; K144-E147 WeakPolarHBondContact CD-OE2 3.34Å; K144-E147 WeakPolarHBondContact CE-OE1 3.38Å; K144-E147 VanDerWaalsContact CE-OE2 3.25Å; K144-E147 WeakPolarHBondContact CE-OE2 3.42Å; K144-E147 HydrophobicContact CG-CB 4.29Å; K144-E147 IonicContact NZ-OE1 3.26Å; K144-E147 PolarHBondContact NZ-OE1 3.41Å; K144-E147 IonicContact NZ-OE2 2.7Å; K144-E147 PolarHBondContact NZ-OE2 2.86Å; K144-E147 PolarHBondContact O-N 3.4Å; Q145-E147 PolarHBondContact O-N 2.88Å; Q145-E147 VanDerWaalsContact O-N 3.08Å
148	Y	91	Very high	92	Very high	40 Å²	40	55.8 Å²	55.8	16%	0.157	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	155.1	-175	59.3	-105.1	0	0	0	114.2	W105 I106 L108 K144 I150	W105-Y148 HydrophobicContact CH2-CD1 4.37Å; W105-Y148 AromaticContact CZ2-CD1 3.8Å; W105-Y148 HydrophobicContact CZ2-CD1 3.8Å; W105-Y148 HydrophobicContact CZ2-CE1 4.35Å; W105-Y148 AromaticContact CZ2-CG 3.93Å; W105-Y148 HydrophobicContact CZ2-CG 3.93Å; I106-Y148 CarbonylContact O-C 3.54Å; I106-Y148 VanDerWaalsContact O-CA 3.23Å; I106-Y148 WeakPolarHBondContact O-CA 3.43Å; I106-Y148 WeakPolarHBondContact O-CB 3.24Å; L108-Y148 WeakPolarHBondContact CD1-O 3.47Å; K144-Y148 HydrophobicContact CB-CD1 4.27Å; K144-Y148 HydrophobicContact CB-CD2 4.05Å; K144-Y148 HydrophobicContact CB-CE1 3.97Å; K144-Y148 HydrophobicContact CB-CE2 3.72Å; K144-Y148 HydrophobicContact CB-CG 4.33Å; K144-Y148 HydrophobicContact CD-CE1 3.76Å; K144-Y148 HydrophobicContact CG-CE1 4.46Å; K144-Y148 PolarHBondContact N-O 3.26Å; K144-Y148 PolarHBondContact O-N 2.8Å; K144-Y148 VanDerWaalsContact O-N 3.11Å; Y148-I150 HydrophobicContact CD2-CD1 3.59Å; Y148-I150 HydrophobicContact CD2-CG1 3.68Å; Y148-I150 HydrophobicContact CE2-CD1 3.5Å; Y148-I150 HydrophobicContact CE2-CG1 4.09Å; Y148-I150 HydrophobicContact CG-CD1 4.42Å; Y148-I150 HydrophobicContact CG-CG1 4.46Å
149	L	92.5	Very high	91.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127	159.8	167.9	63.1	0	0	0	108.3	I106 L108 L119 I123 M151	I106-L149 HydrophobicContact CB-CB 4.3Å; I106-L149 HydrophobicContact CD1-CD2 4.27Å; I106-L149 PolarHBondContact N-O 3.13Å; I106-L149 PolarHBondContact O-N 3.02Å; L108-L149 HydrophobicContact CD1-CB 4.04Å; L108-L149 HydrophobicContact CD2-CB 4.35Å; L108-L149 HydrophobicContact CG-CB 4.4Å; L119-L149 HydrophobicContact CB-CD2 4.01Å; L119-L149 HydrophobicContact CD1-CD2 4.31Å; L119-L149 HydrophobicContact CD2-CD2 4.31Å; L119-L149 HydrophobicContact CG-CD2 4.45Å; I123-L149 HydrophobicContact CD1-CD1 3.86Å; I123-L149 HydrophobicContact CD1-CD2 3.94Å; L149-M151 HydrophobicContact CD1-CG 4.39Å; L149-M151 HydrophobicContact CG-CG 4.38Å
150	I	93.7	Very high	91.8	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.4	175.9	-66	168	0	0	0	108.4	L70 L103 W105 H141 K142 Y148	L70-I150 HydrophobicContact CD1-CG2 4.27Å; L70-I150 HydrophobicContact CD2-CG2 3.99Å; L103-I150 HydrophobicContact CD1-CG2 3.39Å; L103-I150 HydrophobicContact CD2-CG2 4.22Å; L103-I150 HydrophobicContact CG-CG2 3.82Å; W105-I150 HydrophobicContact CD2-CD1 4.22Å; W105-I150 HydrophobicContact CD2-CG1 3.95Å; W105-I150 HydrophobicContact CE3-CD1 3.62Å; W105-I150 HydrophobicContact CE3-CG1 3.73Å; W105-I150 HydrophobicContact CG-CG1 4.44Å; W105-I150 HydrophobicContact CH2-CD1 3.86Å; W105-I150 HydrophobicContact CZ2-CD1 4.41Å; W105-I150 HydrophobicContact CZ3-CD1 3.43Å; W105-I150 VanDerWaalsContact CZ3-CD1 3.43Å; W105-I150 HydrophobicContact CZ3-CG1 4.08Å; H141-I150 CarbonylContact C-O 3.6Å; H141-I150 WeakPolarHBondContact CA-O 3.47Å; H141-I150 WeakPolarHBondContact CB-O 3.47Å; K142-I150 PolarHBondContact N-O 3.43Å; K142-I150 PolarHBondContact O-N 3.19Å; Y148-I150 HydrophobicContact CD2-CD1 3.59Å; Y148-I150 HydrophobicContact CD2-CG1 3.68Å; Y148-I150 HydrophobicContact CE2-CD1 3.5Å; Y148-I150 HydrophobicContact CE2-CG1 4.09Å; Y148-I150 HydrophobicContact CG-CD1 4.42Å; Y148-I150 HydrophobicContact CG-CG1 4.46Å
151	M	94.9	Very high	91.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	171.4	-63.4	-178.1	-66.6	0	0	110	L103 K104 I106 I123 L126 L138 H141 L149 L153	L103-M151 CarbonylContact C-O 3.5Å; L103-M151 WeakPolarHBondContact CA-O 3.43Å; K104-M151 HydrophobicContact CB-CB 4.46Å; K104-M151 HydrophobicContact CB-CE 4.26Å; K104-M151 HydrophobicContact CD-CE 3.66Å; K104-M151 HydrophobicContact CG-CE 3.91Å; K104-M151 PolarHBondContact N-O 3.2Å; K104-M151 PolarHBondContact O-N 3.3Å; I106-M151 HydrophobicContact CD1-CE 3.84Å; I123-M151 HydrophobicContact CG1-SD 3.78Å; L126-M151 HydrophobicContact CD1-SD 4.25Å; L138-M151 HydrophobicContact CD1-CB 3.92Å; L138-M151 HydrophobicContact CD1-CG 4.29Å; H141-M151 HydrophobicContact CB-CG 4.18Å; L149-M151 HydrophobicContact CD1-CG 4.39Å; L149-M151 HydrophobicContact CG-CG 4.38Å; M151-L153 HydrophobicContact CB-CD2 4.43Å; M151-L153 HydrophobicContact CB-CG 4.48Å
152	L	96.3	Very high	91.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.5	175.1	-173.4	74	0	0	0	109.1	L70 Y75 V92 Y101 L103 I139 D140	L70-L152 HydrophobicContact CD1-CB 3.98Å; L70-L152 HydrophobicContact CD1-CD1 4.4Å; L70-L152 HydrophobicContact CD1-CD2 4.26Å; L70-L152 HydrophobicContact CD1-CG 4.45Å; Y75-L152 HydrophobicContact CD1-CD1 4.32Å; Y75-L152 HydrophobicContact CD1-CD2 4.44Å; Y75-L152 HydrophobicContact CE1-CD1 4.22Å; Y75-L152 HydrophobicContact CE1-CD2 3.59Å; Y75-L152 HydrophobicContact CE2-CD2 4.2Å; Y75-L152 VanDerWaalsContact CZ-CD2 3.46Å; Y75-L152 WeakPolarHBondContact OH-CD2 3.24Å; V92-L152 HydrophobicContact CG2-CD1 3.47Å; V92-L152 VanDerWaalsContact CG2-CD1 3.47Å; Y101-L152 HydrophobicContact CG-CD1 4.15Å; Y101-L152 HydrophobicContact CG-CG 4.36Å; L103-L152 HydrophobicContact CD1-CB 4.46Å; L103-L152 HydrophobicContact CD1-CD1 3.88Å; I139-L152 HydrophobicContact CB-CB 4.42Å; I139-L152 HydrophobicContact CB-CD2 4.01Å; I139-L152 HydrophobicContact CB-CG 4.11Å; I139-L152 WeakPolarHBondContact CB-O 3.35Å; I139-L152 HydrophobicContact CG2-CD2 3.86Å; I139-L152 HydrophobicContact CG2-CG 4.49Å; I139-L152 PolarHBondContact N-O 2.79Å; D140-L152 HydrophobicContact CB-CB 4.12Å; D140-L152 HydrophobicContact CB-CD2 4.14Å; D140-L152 PolarHBondContact N-O 2.97Å; D140-L152 WeakPolarHBondContact O-CB 3.31Å; D140-L152 PolarHBondContact O-N 2.89Å
153	L	95.4	Very high	91	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.1	-168.9	-57.8	172.2	0	0	0	111.3	A102 K104 L126 V136 K137 L138 M151 R155	A102-L153 HydrophobicContact CB-CB 4.35Å; A102-L153 PolarHBondContact N-O 3.5Å; A102-L153 PolarHBondContact O-N 3.3Å; K104-L153 HydrophobicContact CB-CD1 4.15Å; L126-L153 HydrophobicContact CD1-CD2 3.86Å; V136-L153 HydrophobicContact CG1-CD2 4.49Å; V136-L153 HydrophobicContact CG2-CB 4.1Å; K137-L153 CarbonylContact O-C 3.58Å; K137-L153 WeakPolarHBondContact O-CA 3.37Å; L138-L153 HydrophobicContact CB-CD2 4.38Å; L138-L153 HydrophobicContact CD1-CD2 3.7Å; M151-L153 HydrophobicContact CB-CD2 4.43Å; M151-L153 HydrophobicContact CB-CG 4.48Å; L153-R155 PolarHBondContact O-N 2.77Å
154	E	94.4	Very high	90.9	Very high	21 Å²	21	49.4 Å²	49.4	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	131.3	164.2	-179	-171.2	149	0	0	110.1	V136 K137 S208 K213	V136-E154 HydrophobicContact CG2-CB 3.86Å; V136-E154 WeakPolarHBondContact CG2-O 3.32Å; K137-E154 HydrophobicContact CB-CB 4.24Å; K137-E154 PolarHBondContact O-N 2.92Å; E154-S208 PolarHBondContact OE1-OG 2.8Å; E154-S208 VanDerWaalsContact OE1-OG 3.11Å; E154-K213 VanDerWaalsContact CD-NZ 3.26Å; E154-K213 WeakPolarHBondContact OE1-CD 3.49Å; E154-K213 VanDerWaalsContact OE1-CE 3.29Å; E154-K213 WeakPolarHBondContact OE1-CE 3.15Å; E154-K213 IonicContact OE1-NZ 3.73Å; E154-K213 PolarHBondContact OE1-NZ 2.85Å; E154-K213 IonicContact OE2-NZ 3.77Å; E154-K213 PolarHBondContact OE2-NZ 3.43Å
155	R	92.2	Very high	90.6	Very high	74 Å²	74	51.5 Å²	51.5	28%	0.279	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-88.6	119.2	175.8	173.7	167.8	158.5	-157.4	-25	111.4	I91 E100 A102 L153	I91-R155 VanDerWaalsContact CD1-NH1 3.32Å; I91-R155 VanDerWaalsContact CG1-NH1 3.31Å; E100-R155 IonicContact OE1-CZ 3.01Å; E100-R155 IonicContact OE1-NH1 2.84Å; E100-R155 PolarHBondContact OE1-NH1 2.87Å; E100-R155 IonicContact OE1-NH2 2.98Å; E100-R155 IonicContact OE2-CZ 2.71Å; E100-R155 IonicContact OE2-NH1 2.71Å; E100-R155 PolarHBondContact OE2-NH1 2.91Å; E100-R155 IonicContact OE2-NH2 2.8Å; E100-R155 PolarHBondContact OE2-NH2 2.81Å; A102-R155 HydrophobicContact CB-CB 4.39Å; L153-R155 PolarHBondContact O-N 2.77Å
156	G	89.1	Confident	90.1	Very high	16 Å²	16	49.3 Å²	49.3	17%	0.165	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.4	160.8	164.3	0	0	0	0	0	113
157	R	88.6	Confident	89.4	Confident	219 Å²	219	46.2 Å²	46.2	83%	0.826	22%	0.221	S	C	*	.	S	Bend	trans	-75.9	-45	-179.6	-180	176.6	170.8	156	-3.1	112.7	L207	R157-L207 VanDerWaalsContact CB-O 3.31Å; R157-L207 WeakPolarHBondContact CB-O 3.2Å; R157-L207 PolarHBondContact N-O 2.95Å
158	V	90.1	Very high	87.7	Confident	40 Å²	40	49.7 Å²	49.7	24%	0.242	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	143.6	-178.1	63.6	0	0	0	0	109.5	T162 H163 V206 L207	V158-T162 HydrophobicContact CG2-CG2 3.83Å; V158-H163 HydrophobicContact CG1-CB 4.18Å; V158-H163 HydrophobicContact CG2-CB 4.41Å; V158-V206 CarbonylContact O-C 3.56Å; V158-V206 VanDerWaalsContact O-CA 3.29Å; V158-V206 WeakPolarHBondContact O-CA 3.35Å; V158-L207 HydrophobicContact CG1-CB 4.19Å; V158-L207 PolarHBondContact O-N 3.39Å
159	D	92.3	Very high	86.1	Confident	40 Å²	40	53 Å²	53	21%	0.214	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	151.4	172.6	73	98.6	0	0	0	111.6	S161 T162 H163 F205 V206	D159-S161 VanDerWaalsContact C-N 3.26Å; D159-S161 PolarHBondContact O-N 2.95Å; D159-S161 WeakPolarHBondContact OD1-CA 3.18Å; D159-S161 WeakPolarHBondContact OD1-CB 3.41Å; D159-S161 PolarHBondContact OD1-N 2.83Å; D159-S161 PolarHBondContact OD1-OG 3.46Å; D159-T162 PolarHBondContact O-N 3.27Å; D159-T162 PolarHBondContact OD1-N 2.84Å; D159-T162 PolarHBondContact OD1-OG1 2.93Å; D159-T162 WeakPolarHBondContact OD2-CB 3.5Å; D159-T162 PolarHBondContact OD2-OG1 2.91Å; D159-H163 WeakPolarHBondContact O-CB 3.49Å; D159-H163 PolarHBondContact O-N 3.06Å; D159-F205 CarbonylContact C-O 3.55Å; D159-F205 VanDerWaalsContact CA-O 3.25Å; D159-F205 WeakPolarHBondContact CA-O 3.4Å; D159-V206 HydrophobicContact CB-CG1 4.34Å
160	L	93	Very high	85	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-22.9	-176.5	-61.5	-173.3	0	0	0	113	H163 F164 Y179 M183 P202 F205 L207 V212	L160-H163 HydrophobicContact CD2-CB 4.42Å; L160-F164 HydrophobicContact CB-CD2 4.29Å; L160-F164 HydrophobicContact CB-CE1 4.31Å; L160-F164 HydrophobicContact CB-CE2 3.8Å; L160-F164 HydrophobicContact CB-CZ 3.81Å; L160-F164 HydrophobicContact CD1-CE2 4.43Å; L160-F164 HydrophobicContact CD1-CZ 3.91Å; L160-F164 HydrophobicContact CD2-CE1 4.42Å; L160-F164 HydrophobicContact CD2-CZ 4.43Å; L160-F164 HydrophobicContact CG-CZ 4.28Å; L160-F164 VanDerWaalsContact O-CB 3.29Å; L160-F164 WeakPolarHBondContact O-CB 3.19Å; L160-F164 WeakPolarHBondContact O-CD2 3.45Å; L160-F164 WeakPolarHBondContact O-CG 3.36Å; L160-F164 PolarHBondContact O-N 3.24Å; L160-Y179 HydrophobicContact CD2-CD1 4.37Å; L160-M183 HydrophobicContact CD1-CG 4.11Å; L160-M183 HydrophobicContact CD1-SD 3.86Å; L160-P202 HydrophobicContact CB-CB 4.21Å; L160-P202 WeakPolarHBondContact CB-O 3.2Å; L160-P202 PolarHBondContact N-O 2.81Å; L160-F205 HydrophobicContact CB-CB 4.34Å; L160-F205 HydrophobicContact CD1-CB 3.6Å; L160-F205 HydrophobicContact CD1-CG 4.35Å; L160-F205 HydrophobicContact CG-CB 3.78Å; L160-F205 PolarHBondContact N-O 3.46Å; L160-L207 HydrophobicContact CD2-CB 4.49Å; L160-V212 HydrophobicContact CD1-CG1 3.85Å; L160-V212 HydrophobicContact CD1-CG2 4.14Å
161	S	90.9	Very high	84.5	Confident	27 Å²	27	62.9 Å²	62.9	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-45.7	173	123.8	0	0	0	0	111.3	D159 K165 P202	D159-S161 VanDerWaalsContact C-N 3.26Å; D159-S161 PolarHBondContact O-N 2.95Å; D159-S161 WeakPolarHBondContact OD1-CA 3.18Å; D159-S161 WeakPolarHBondContact OD1-CB 3.41Å; D159-S161 PolarHBondContact OD1-N 2.83Å; D159-S161 PolarHBondContact OD1-OG 3.46Å; S161-K165 WeakPolarHBondContact O-CB 3.21Å; S161-K165 WeakPolarHBondContact O-CD 3.2Å; S161-K165 WeakPolarHBondContact O-CG 3.44Å; S161-K165 PolarHBondContact O-N 3.03Å; S161-K165 PolarHBondContact OG-NZ 2.84Å; S161-P202 PolarHBondContact N-O 2.94Å
162	T	89.3	Confident	84.1	Confident	65 Å²	65	65.2 Å²	65.2	40%	0.399	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-44	174.4	-61	0	0	0	0	110.7	V158 D159 K165 T166	V158-T162 HydrophobicContact CG2-CG2 3.83Å; D159-T162 PolarHBondContact O-N 3.27Å; D159-T162 PolarHBondContact OD1-N 2.84Å; D159-T162 PolarHBondContact OD1-OG1 2.93Å; D159-T162 WeakPolarHBondContact OD2-CB 3.5Å; D159-T162 PolarHBondContact OD2-OG1 2.91Å; T162-K165 PolarHBondContact O-N 2.71Å; T162-T166 PolarHBondContact O-N 3.28Å
163	H	88.5	Confident	83.8	Confident	27 Å²	27	65.5 Å²	65.5	13%	0.125	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-53.7	177.8	-169.7	60.5	0	0	0	111.5	V158 D159 L160 K165 T166 F167 Y179	V158-H163 HydrophobicContact CG1-CB 4.18Å; V158-H163 HydrophobicContact CG2-CB 4.41Å; D159-H163 WeakPolarHBondContact O-CB 3.49Å; D159-H163 PolarHBondContact O-N 3.06Å; L160-H163 HydrophobicContact CD2-CB 4.42Å; H163-K165 PolarHBondContact O-N 3.44Å; H163-T166 PolarHBondContact O-N 3.45Å; H163-T166 PolarHBondContact O-OG1 2.71Å; H163-F167 AromaticContact CD2-CE2 3.71Å; H163-F167 AromaticContact CE1-CE2 3.6Å; H163-F167 AromaticContact CE1-CZ 3.77Å; H163-F167 AromaticContact NE2-CE2 3.41Å; H163-F167 WeakPolarHBondContact NE2-CE2 3.39Å; H163-F167 AromaticContact NE2-CZ 3.61Å; H163-F167 WeakPolarHBondContact O-CD2 3.27Å; H163-F167 WeakPolarHBondContact O-CE2 3.43Å; H163-Y179 AromaticContact CD2-CZ 3.88Å; H163-Y179 AromaticContact NE2-CE2 3.94Å; H163-Y179 AromaticContact NE2-CZ 3.39Å; H163-Y179 PolarHBondContact NE2-OH 3.45Å
164	F	89	Confident	83.6	Confident	30 Å²	30	70.7 Å²	70.7	13%	0.132	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-27.7	179.4	-59.5	-24.5	0	0	0	113.2	L160 T166 F167 M171 Y179 P202 I272 L276	L160-F164 HydrophobicContact CB-CD2 4.29Å; L160-F164 HydrophobicContact CB-CE1 4.31Å; L160-F164 HydrophobicContact CB-CE2 3.8Å; L160-F164 HydrophobicContact CB-CZ 3.81Å; L160-F164 HydrophobicContact CD1-CE2 4.43Å; L160-F164 HydrophobicContact CD1-CZ 3.91Å; L160-F164 HydrophobicContact CD2-CE1 4.42Å; L160-F164 HydrophobicContact CD2-CZ 4.43Å; L160-F164 HydrophobicContact CG-CZ 4.28Å; L160-F164 VanDerWaalsContact O-CB 3.29Å; L160-F164 WeakPolarHBondContact O-CB 3.19Å; L160-F164 WeakPolarHBondContact O-CD2 3.45Å; L160-F164 WeakPolarHBondContact O-CG 3.36Å; L160-F164 PolarHBondContact O-N 3.24Å; F164-T166 PolarHBondContact O-N 2.86Å; F164-F167 PolarHBondContact O-N 2.91Å; F164-M171 HydrophobicContact CD1-CE 3.96Å; F164-M171 HydrophobicContact CE1-CE 4.16Å; F164-Y179 AromaticContact CE1-CD2 3.87Å; F164-Y179 HydrophobicContact CE1-CD2 3.87Å; F164-Y179 HydrophobicContact CE1-CE2 4.31Å; F164-Y179 HydrophobicContact CE1-CG 4.14Å; F164-Y179 HydrophobicContact CZ-CG 4.43Å; F164-P202 HydrophobicContact CD2-CB 4.05Å; F164-P202 HydrophobicContact CD2-CG 4.37Å; F164-P202 HydrophobicContact CE2-CB 4.07Å; F164-P202 HydrophobicContact CE2-CG 4.38Å; F164-I272 HydrophobicContact CE2-CG2 4.44Å; F164-L276 HydrophobicContact CD1-CD2 3.88Å; F164-L276 HydrophobicContact CD2-CD2 3.84Å; F164-L276 HydrophobicContact CE1-CD2 3.8Å; F164-L276 HydrophobicContact CE2-CD1 4.26Å; F164-L276 HydrophobicContact CE2-CD2 3.75Å; F164-L276 HydrophobicContact CE2-CG 4.27Å; F164-L276 HydrophobicContact CG-CD2 3.91Å; F164-L276 HydrophobicContact CZ-CD1 4.04Å; F164-L276 HydrophobicContact CZ-CD2 3.73Å; F164-L276 HydrophobicContact CZ-CG 4.38Å
165	K	83.7	Confident	83.4	Confident	133 Å²	133	70.8 Å²	70.8	58%	0.578	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.9	172.3	-73.5	165.9	-174.2	166.7	0	114.2	S161 T162 H163	S161-K165 WeakPolarHBondContact O-CB 3.21Å; S161-K165 WeakPolarHBondContact O-CD 3.2Å; S161-K165 WeakPolarHBondContact O-CG 3.44Å; S161-K165 PolarHBondContact O-N 3.03Å; S161-K165 PolarHBondContact OG-NZ 2.84Å; T162-K165 PolarHBondContact O-N 2.71Å; H163-K165 PolarHBondContact O-N 3.44Å
166	T	75.4	Confident	83.4	Confident	94 Å²	94	67.7 Å²	67.7	58%	0.577	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.4	175.8	62.7	0	0	0	0	114.1	T162 H163 F164	T162-T166 PolarHBondContact O-N 3.28Å; H163-T166 PolarHBondContact O-N 3.45Å; H163-T166 PolarHBondContact O-OG1 2.71Å; F164-T166 PolarHBondContact O-N 2.86Å
167	F	68.4	Low	83.7	Confident	46 Å²	46	67 Å²	67	20%	0.202	32%	0.318	C	S	.	.			trans	-95	95.8	175.1	-66.5	-96	0	0	0	110.2	H163 F164 Y169 M171	H163-F167 AromaticContact CD2-CE2 3.71Å; H163-F167 AromaticContact CE1-CE2 3.6Å; H163-F167 AromaticContact CE1-CZ 3.77Å; H163-F167 AromaticContact NE2-CE2 3.41Å; H163-F167 WeakPolarHBondContact NE2-CE2 3.39Å; H163-F167 AromaticContact NE2-CZ 3.61Å; H163-F167 WeakPolarHBondContact O-CD2 3.27Å; H163-F167 WeakPolarHBondContact O-CE2 3.43Å; F164-F167 PolarHBondContact O-N 2.91Å; F167-Y169 HydrophobicContact CD1-CD1 4.45Å; F167-Y169 AromaticContact CD1-CE1 3.78Å; F167-Y169 HydrophobicContact CD1-CE1 3.78Å; F167-Y169 AromaticContact CD1-CE2 3.9Å; F167-Y169 HydrophobicContact CD1-CE2 3.9Å; F167-Y169 AromaticContact CD1-CZ 3.48Å; F167-Y169 VanDerWaalsContact CD1-CZ 3.48Å; F167-Y169 HydrophobicContact CE1-CE1 4.4Å; F167-Y169 HydrophobicContact CE1-CE2 4.34Å; F167-Y169 AromaticContact CE1-CZ 3.81Å; F167-Y169 WeakPolarHBondContact CE1-OH 3.36Å; F167-Y169 PolarHBondContact O-N 3.29Å; F167-M171 HydrophobicContact CD1-CE 4.19Å; F167-M171 HydrophobicContact CD2-CE 3.87Å; F167-M171 HydrophobicContact CE1-CE 4.09Å; F167-M171 HydrophobicContact CE2-CE 3.78Å; F167-M171 HydrophobicContact CG-CE 4.09Å; F167-M171 HydrophobicContact CZ-CE 3.9Å
168	D	53.7	Low	83.9	Confident	153 Å²	153	60.9 Å²	60.9	82%	0.818	30%	0.295	S	S	*	.			trans	-69.1	-14.5	166.7	-72.4	-36.5	0	0	0	112.3
169	Y	56.1	Low	84.2	Confident	110 Å²	110	60 Å²	60	43%	0.431	29%	0.287	S	S	.	.	S	Bend	trans	-107	153	179.5	64.4	-86.2	0	0	0	112.4	F167 M171	F167-Y169 HydrophobicContact CD1-CD1 4.45Å; F167-Y169 AromaticContact CD1-CE1 3.78Å; F167-Y169 HydrophobicContact CD1-CE1 3.78Å; F167-Y169 AromaticContact CD1-CE2 3.9Å; F167-Y169 HydrophobicContact CD1-CE2 3.9Å; F167-Y169 AromaticContact CD1-CZ 3.48Å; F167-Y169 VanDerWaalsContact CD1-CZ 3.48Å; F167-Y169 HydrophobicContact CE1-CE1 4.4Å; F167-Y169 HydrophobicContact CE1-CE2 4.34Å; F167-Y169 AromaticContact CE1-CZ 3.81Å; F167-Y169 WeakPolarHBondContact CE1-OH 3.36Å; F167-Y169 PolarHBondContact O-N 3.29Å; Y169-M171 PolarHBondContact O-N 2.9Å; Y169-M171 VanDerWaalsContact O-N 3.15Å
170	K	70.8	Confident	84.4	Confident	192 Å²	192	58.1 Å²	58.1	84%	0.835	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-62.2	117.5	173.3	-69.1	-175.3	178.3	-178.2	0	109.9
171	M	82.6	Confident	84.6	Confident	21 Å²	21	58.2 Å²	58.2	10%	0.103	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.1	141.2	174.7	-175.2	177.4	-68.2	0	0	110.8	F164 F167 Y169 M175 I176 Y179 L276	F164-M171 HydrophobicContact CD1-CE 3.96Å; F164-M171 HydrophobicContact CE1-CE 4.16Å; F167-M171 HydrophobicContact CD1-CE 4.19Å; F167-M171 HydrophobicContact CD2-CE 3.87Å; F167-M171 HydrophobicContact CE1-CE 4.09Å; F167-M171 HydrophobicContact CE2-CE 3.78Å; F167-M171 HydrophobicContact CG-CE 4.09Å; F167-M171 HydrophobicContact CZ-CE 3.9Å; Y169-M171 PolarHBondContact O-N 2.9Å; Y169-M171 VanDerWaalsContact O-N 3.15Å; M171-M175 HydrophobicContact CG-CB 3.71Å; M171-M175 HydrophobicContact CG-CG 3.67Å; M171-M175 HydrophobicContact SD-CB 4.2Å; M171-M175 HydrophobicContact SD-CG 3.72Å; M171-I176 HydrophobicContact CB-CD1 4.42Å; M171-I176 HydrophobicContact CB-CG1 3.96Å; M171-I176 HydrophobicContact CG-CG1 3.87Å; M171-I176 HydrophobicContact SD-CG1 3.93Å; M171-Y179 HydrophobicContact CE-CD2 3.97Å; M171-Y179 HydrophobicContact CE-CE2 3.65Å; M171-Y179 HydrophobicContact SD-CD2 3.53Å; M171-Y179 VanDerWaalsContact SD-CD2 3.53Å; M171-Y179 HydrophobicContact SD-CE2 3.64Å; M171-L276 HydrophobicContact SD-CD2 4.47Å
172	S	86.9	Confident	84.9	Confident	48 Å²	48	57.1 Å²	57.1	34%	0.336	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.2	150.7	-179.8	70	0	0	0	0	111.7	R174 M175 I176	S172-R174 VanDerWaalsContact C-N 3.31Å; S172-R174 PolarHBondContact O-N 2.96Å; S172-M175 WeakPolarHBondContact O-CA 3.44Å; S172-M175 WeakPolarHBondContact O-CB 3.28Å; S172-M175 PolarHBondContact O-N 3.31Å; S172-M175 WeakPolarHBondContact OG-CB 3.19Å; S172-I176 PolarHBondContact O-N 3.33Å
173	P	88.8	Confident	85.3	Confident	6 Å²	6	54 Å²	54	4%	0.039	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-43	-175.8	-26	36.3	0	0	0	112.7	M175 I176 V177 Y310 Y343	P173-M175 PolarHBondContact O-N 3.2Å; P173-I176 PolarHBondContact O-N 2.88Å; P173-V177 WeakPolarHBondContact O-CG2 3.35Å; P173-V177 PolarHBondContact O-N 3.21Å; P173-Y310 HydrophobicContact CB-CD1 4.19Å; P173-Y310 HydrophobicContact CB-CE1 3.97Å; P173-Y310 HydrophobicContact CG-CD1 3.98Å; P173-Y310 HydrophobicContact CG-CE1 3.27Å; P173-Y310 HydrophobicContact CG-CE2 3.87Å; P173-Y310 VanDerWaalsContact CG-OH 3.29Å; P173-Y310 WeakPolarHBondContact CG-OH 3.29Å; P173-Y343 HydrophobicContact CB-CE1 4.41Å; P173-Y343 HydrophobicContact CB-CE2 4.3Å; P173-Y343 VanDerWaalsContact CB-OH 3.25Å; P173-Y343 WeakPolarHBondContact CB-OH 3.46Å
174	R	90.7	Very high	85.7	Confident	123 Å²	123	52.8 Å²	52.8	46%	0.464	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-35.3	175.9	-170.7	172.6	-167.3	175.9	5	112.3	S172 R178 Y343 F344	S172-R174 VanDerWaalsContact C-N 3.31Å; S172-R174 PolarHBondContact O-N 2.96Å; R174-R178 WeakPolarHBondContact O-CB 3.07Å; R174-R178 PolarHBondContact O-N 2.98Å; R174-Y343 HydrophobicContact CB-CD1 3.96Å; R174-Y343 HydrophobicContact CB-CE1 4.33Å; R174-Y343 HydrophobicContact CB-CG 4.46Å; R174-Y343 HydrophobicContact CG-CD1 4.14Å; R174-Y343 HydrophobicContact CG-CG 4.42Å; R174-F344 HydrophobicContact CG-CE2 4.27Å; R174-F344 HydrophobicContact CG-CZ 3.95Å
175	M	90.6	Very high	86.1	Confident	22 Å²	22	52.6 Å²	52.6	11%	0.108	24%	0.244	C	C	.	.	H	α-helix	trans	-77.2	-39	177.8	-172.3	62.7	64.7	0	0	112.3	M171 S172 P173 V177 R178 Y179 F387	M171-M175 HydrophobicContact CG-CB 3.71Å; M171-M175 HydrophobicContact CG-CG 3.67Å; M171-M175 HydrophobicContact SD-CB 4.2Å; M171-M175 HydrophobicContact SD-CG 3.72Å; S172-M175 WeakPolarHBondContact O-CA 3.44Å; S172-M175 WeakPolarHBondContact O-CB 3.28Å; S172-M175 PolarHBondContact O-N 3.31Å; S172-M175 WeakPolarHBondContact OG-CB 3.19Å; P173-M175 PolarHBondContact O-N 3.2Å; M175-V177 VanDerWaalsContact C-N 3.32Å; M175-V177 PolarHBondContact O-N 3.3Å; M175-R178 WeakPolarHBondContact O-CB 3.48Å; M175-R178 PolarHBondContact O-N 3.26Å; M175-R178 HydrophobicContact SD-CB 4.37Å; M175-Y179 HydrophobicContact CG-CD2 4.01Å; M175-Y179 HydrophobicContact CG-CE2 3.49Å; M175-Y179 VanDerWaalsContact CG-CE2 3.49Å; M175-Y179 VanDerWaalsContact O-CD2 3.28Å; M175-Y179 WeakPolarHBondContact O-CD2 3.46Å; M175-Y179 PolarHBondContact O-N 3.49Å; M175-Y179 HydrophobicContact SD-CD2 4.24Å; M175-Y179 HydrophobicContact SD-CE2 3.58Å; M175-Y179 VanDerWaalsContact SD-CE2 3.58Å; M175-F387 HydrophobicContact CE-CD1 4.48Å; M175-F387 HydrophobicContact CE-CE1 3.51Å; M175-F387 HydrophobicContact CE-CE2 4.24Å; M175-F387 HydrophobicContact CE-CZ 3.37Å
176	I	93	Very high	86.8	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-55.6	-50.4	170.5	-67.5	172.8	0	0	0	109.7	M171 S172 P173 R178 Y179 W180 L273 L276 I277	M171-I176 HydrophobicContact CB-CD1 4.42Å; M171-I176 HydrophobicContact CB-CG1 3.96Å; M171-I176 HydrophobicContact CG-CG1 3.87Å; M171-I176 HydrophobicContact SD-CG1 3.93Å; S172-I176 PolarHBondContact O-N 3.33Å; P173-I176 PolarHBondContact O-N 2.88Å; I176-R178 PolarHBondContact O-N 3.02Å; I176-Y179 PolarHBondContact O-N 3.49Å; I176-W180 WeakPolarHBondContact O-CB 3.37Å; I176-W180 PolarHBondContact O-N 3.3Å; I176-L273 HydrophobicContact CG2-CD1 3.63Å; I176-L276 HydrophobicContact CD1-CB 4.5Å; I176-L276 WeakPolarHBondContact CD1-O 3.45Å; I176-L276 HydrophobicContact CG1-CB 4.25Å; I176-L276 HydrophobicContact CG2-CB 3.83Å; I176-L276 HydrophobicContact CG2-CD1 4.21Å; I176-I277 HydrophobicContact CG2-CG1 4.4Å
177	V	94.6	Very high	87.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-37.1	177.9	175.1	0	0	0	0	111.7	P173 M175 Y179 W180 L181 Y339 V340 Y343 F344	P173-V177 WeakPolarHBondContact O-CG2 3.35Å; P173-V177 PolarHBondContact O-N 3.21Å; M175-V177 VanDerWaalsContact C-N 3.32Å; M175-V177 PolarHBondContact O-N 3.3Å; V177-Y179 PolarHBondContact O-N 3.22Å; V177-W180 PolarHBondContact O-N 3.16Å; V177-L181 WeakPolarHBondContact O-CB 3.4Å; V177-L181 PolarHBondContact O-N 3.1Å; V177-Y339 HydrophobicContact CG2-CD1 4.07Å; V177-Y339 HydrophobicContact CG2-CD2 4.27Å; V177-Y339 HydrophobicContact CG2-CE1 3.53Å; V177-Y339 HydrophobicContact CG2-CE2 3.74Å; V177-Y339 HydrophobicContact CG2-CG 4.41Å; V177-V340 HydrophobicContact CG1-CB 4.45Å; V177-V340 HydrophobicContact CG1-CG1 4.41Å; V177-V340 HydrophobicContact CG1-CG2 4.4Å; V177-Y343 HydrophobicContact CB-CD2 3.93Å; V177-Y343 HydrophobicContact CG1-CD2 4.05Å; V177-Y343 HydrophobicContact CG2-CD2 3.65Å; V177-Y343 HydrophobicContact CG2-CE2 3.83Å; V177-F344 HydrophobicContact CB-CE2 4.26Å; V177-F344 HydrophobicContact CG1-CD2 3.8Å; V177-F344 HydrophobicContact CG1-CE2 3.86Å
178	R	94.2	Very high	89.2	Confident	92 Å²	92	40.3 Å²	40.3	35%	0.347	18%	0.184	S	C	.	.	H	α-helix	trans	-58.3	-48.5	175.3	-167.9	-176.8	174.6	145.7	-0.9	111.8	R174 M175 I176 G182 F344 L350	R174-R178 WeakPolarHBondContact O-CB 3.07Å; R174-R178 PolarHBondContact O-N 2.98Å; M175-R178 WeakPolarHBondContact O-CB 3.48Å; M175-R178 PolarHBondContact O-N 3.26Å; M175-R178 HydrophobicContact SD-CB 4.37Å; I176-R178 PolarHBondContact O-N 3.02Å; R178-G182 PolarHBondContact O-N 2.84Å; R178-G182 VanDerWaalsContact O-N 3.15Å; R178-F344 HydrophobicContact CB-CE2 4.2Å; R178-F344 HydrophobicContact CB-CZ 3.86Å; R178-F344 HydrophobicContact CG-CZ 4.14Å; R178-L350 HydrophobicContact CG-CD2 3.71Å
179	Y	95.2	Very high	91.2	Very high	22 Å²	22	35.1 Å²	35.1	9%	0.086	15%	0.154	C	C	.	.	H	α-helix	trans	-68.8	-43	177.4	-68.5	-54.1	0	0	0	112	L160 H163 F164 M171 M175 I176 V177 G182 M183 L207 V212	L160-Y179 HydrophobicContact CD2-CD1 4.37Å; H163-Y179 AromaticContact CD2-CZ 3.88Å; H163-Y179 AromaticContact NE2-CE2 3.94Å; H163-Y179 AromaticContact NE2-CZ 3.39Å; H163-Y179 PolarHBondContact NE2-OH 3.45Å; F164-Y179 AromaticContact CE1-CD2 3.87Å; F164-Y179 HydrophobicContact CE1-CD2 3.87Å; F164-Y179 HydrophobicContact CE1-CE2 4.31Å; F164-Y179 HydrophobicContact CE1-CG 4.14Å; F164-Y179 HydrophobicContact CZ-CG 4.43Å; M171-Y179 HydrophobicContact CE-CD2 3.97Å; M171-Y179 HydrophobicContact CE-CE2 3.65Å; M171-Y179 HydrophobicContact SD-CD2 3.53Å; M171-Y179 VanDerWaalsContact SD-CD2 3.53Å; M171-Y179 HydrophobicContact SD-CE2 3.64Å; M175-Y179 HydrophobicContact CG-CD2 4.01Å; M175-Y179 HydrophobicContact CG-CE2 3.49Å; M175-Y179 VanDerWaalsContact CG-CE2 3.49Å; M175-Y179 VanDerWaalsContact O-CD2 3.28Å; M175-Y179 WeakPolarHBondContact O-CD2 3.46Å; M175-Y179 PolarHBondContact O-N 3.49Å; M175-Y179 HydrophobicContact SD-CD2 4.24Å; M175-Y179 HydrophobicContact SD-CE2 3.58Å; M175-Y179 VanDerWaalsContact SD-CE2 3.58Å; I176-Y179 PolarHBondContact O-N 3.49Å; V177-Y179 PolarHBondContact O-N 3.22Å; Y179-G182 PolarHBondContact O-N 3.06Å; Y179-M183 WeakPolarHBondContact O-CG 3.38Å; Y179-M183 PolarHBondContact O-N 3.31Å; Y179-L207 HydrophobicContact CE1-CD1 4.19Å; Y179-V212 HydrophobicContact CD1-CG2 3.88Å
180	W	96.9	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-40.5	-178.1	-171.3	65.4	0	0	0	112.9	I176 V177 G182 M183 L184 L269 L273 A316 L334 Y339 V340	I176-W180 WeakPolarHBondContact O-CB 3.37Å; I176-W180 PolarHBondContact O-N 3.3Å; V177-W180 PolarHBondContact O-N 3.16Å; W180-G182 VanDerWaalsContact C-N 3.32Å; W180-G182 PolarHBondContact O-N 2.92Å; W180-M183 HydrophobicContact CB-CE 4.35Å; W180-M183 PolarHBondContact O-N 3.21Å; W180-L184 HydrophobicContact CD2-CD1 3.81Å; W180-L184 HydrophobicContact CD2-CG 4.29Å; W180-L184 HydrophobicContact CE3-CD1 3.63Å; W180-L184 HydrophobicContact CH2-CD1 3.84Å; W180-L184 HydrophobicContact CZ2-CD1 3.99Å; W180-L184 HydrophobicContact CZ2-CD2 4.29Å; W180-L184 HydrophobicContact CZ2-CG 4.36Å; W180-L184 HydrophobicContact CZ3-CD1 3.64Å; W180-L184 WeakPolarHBondContact O-CB 3.37Å; W180-L184 WeakPolarHBondContact O-CG 3.49Å; W180-L184 PolarHBondContact O-N 2.84Å; W180-L269 PolarHBondContact NE1-O 3.45Å; W180-L269 VanDerWaalsContact NE1-O 3.1Å; W180-L273 HydrophobicContact CB-CD1 4.38Å; W180-L273 HydrophobicContact CD2-CB 4.43Å; W180-L273 HydrophobicContact CD2-CD1 4.24Å; W180-L273 HydrophobicContact CD2-CD2 3.95Å; W180-L273 HydrophobicContact CD2-CG 4.42Å; W180-L273 HydrophobicContact CE3-CD2 4.18Å; W180-L273 HydrophobicContact CG-CB 4.29Å; W180-L273 HydrophobicContact CG-CD1 4.09Å; W180-L273 HydrophobicContact CH2-CD2 4.02Å; W180-L273 HydrophobicContact CZ2-CD2 3.79Å; W180-L273 HydrophobicContact CZ3-CD2 4.21Å; W180-A316 HydrophobicContact CH2-CB 4.16Å; W180-A316 HydrophobicContact CZ3-CB 4.49Å; W180-L334 HydrophobicContact CH2-CB 4.17Å; W180-L334 HydrophobicContact CH2-CD2 4.09Å; W180-Y339 HydrophobicContact CE3-CD1 4.15Å; W180-Y339 HydrophobicContact CE3-CE1 4.25Å; W180-Y339 AromaticContact CZ3-CD1 3.86Å; W180-Y339 HydrophobicContact CZ3-CD1 3.86Å; W180-Y339 HydrophobicContact CZ3-CE1 4.37Å; W180-V340 HydrophobicContact CE3-CG2 4.08Å; W180-V340 HydrophobicContact CZ3-CG2 3.72Å
181	L	97.1	Very high	94.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-64.6	-35.2	171.5	178.8	53.6	0	0	0	112.2	V177 R185 I335 V340 F344 L350	V177-L181 WeakPolarHBondContact O-CB 3.4Å; V177-L181 PolarHBondContact O-N 3.1Å; L181-R185 HydrophobicContact CD1-CG 4.18Å; L181-R185 VanDerWaalsContact O-CG 3.29Å; L181-R185 WeakPolarHBondContact O-CG 3.34Å; L181-R185 PolarHBondContact O-N 2.77Å; L181-I335 HydrophobicContact CD1-CB 4.4Å; L181-I335 HydrophobicContact CD1-CG1 4.09Å; L181-I335 HydrophobicContact CD1-CG2 4.07Å; L181-V340 HydrophobicContact CB-CG1 4.37Å; L181-V340 HydrophobicContact CD1-CG1 3.87Å; L181-V340 HydrophobicContact CD2-CG1 3.5Å; L181-V340 VanDerWaalsContact CD2-CG1 3.5Å; L181-V340 HydrophobicContact CG-CG1 4.11Å; L181-F344 HydrophobicContact CD2-CB 4.09Å; L181-F344 HydrophobicContact CD2-CD2 4.21Å; L181-F344 HydrophobicContact CD2-CG 4.25Å; L181-L350 HydrophobicContact CB-CD1 4.16Å; L181-L350 HydrophobicContact CD2-CD1 3.2Å; L181-L350 HydrophobicContact CG-CD1 3.52Å
182	G	96.7	Very high	94.7	Very high	5 Å²	5	26.7 Å²	26.7	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-47.6	170.2	0	0	0	0	0	112.6	R178 Y179 W180 R185 A186	R178-G182 PolarHBondContact O-N 2.84Å; R178-G182 VanDerWaalsContact O-N 3.15Å; Y179-G182 PolarHBondContact O-N 3.06Å; W180-G182 VanDerWaalsContact C-N 3.32Å; W180-G182 PolarHBondContact O-N 2.92Å; G182-R185 PolarHBondContact O-N 3.28Å; G182-A186 PolarHBondContact O-N 2.91Å; G182-A186 VanDerWaalsContact O-N 3.1Å
183	M	98.2	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-45.3	176.3	-68	-177.3	-75	0	0	112.2	L160 Y179 W180 R185 A186 V187 F205 V212 L269 I272 L276	L160-M183 HydrophobicContact CD1-CG 4.11Å; L160-M183 HydrophobicContact CD1-SD 3.86Å; Y179-M183 WeakPolarHBondContact O-CG 3.38Å; Y179-M183 PolarHBondContact O-N 3.31Å; W180-M183 HydrophobicContact CB-CE 4.35Å; W180-M183 PolarHBondContact O-N 3.21Å; M183-R185 PolarHBondContact O-N 3.02Å; M183-A186 PolarHBondContact O-N 3.33Å; M183-V187 WeakPolarHBondContact O-CG2 3.47Å; M183-V187 PolarHBondContact O-N 2.79Å; M183-F205 HydrophobicContact CB-CD1 4.44Å; M183-F205 HydrophobicContact CB-CE1 3.96Å; M183-F205 HydrophobicContact CB-CE2 4.25Å; M183-F205 HydrophobicContact CB-CZ 3.85Å; M183-F205 HydrophobicContact CG-CD1 3.86Å; M183-F205 HydrophobicContact CG-CD2 3.87Å; M183-F205 HydrophobicContact CG-CE1 3.87Å; M183-F205 HydrophobicContact CG-CE2 3.88Å; M183-F205 HydrophobicContact CG-CG 3.84Å; M183-F205 HydrophobicContact CG-CZ 3.87Å; M183-F205 HydrophobicContact SD-CD2 3.69Å; M183-F205 HydrophobicContact SD-CE2 3.81Å; M183-F205 HydrophobicContact SD-CG 4.17Å; M183-F205 HydrophobicContact SD-CZ 4.38Å; M183-V212 HydrophobicContact CG-CG1 3.81Å; M183-L269 HydrophobicContact CB-CD2 3.71Å; M183-I272 HydrophobicContact CE-CG2 3.59Å; M183-I272 HydrophobicContact SD-CD1 4.29Å; M183-I272 HydrophobicContact SD-CG2 3.92Å; M183-L276 HydrophobicContact CE-CD1 4.3Å
184	L	98.1	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-53.3	-51.8	175.1	-80.3	167.5	0	0	0	110.9	W180 A186 V187 N188 L269 V331 L334 I335	W180-L184 HydrophobicContact CD2-CD1 3.81Å; W180-L184 HydrophobicContact CD2-CG 4.29Å; W180-L184 HydrophobicContact CE3-CD1 3.63Å; W180-L184 HydrophobicContact CH2-CD1 3.84Å; W180-L184 HydrophobicContact CZ2-CD1 3.99Å; W180-L184 HydrophobicContact CZ2-CD2 4.29Å; W180-L184 HydrophobicContact CZ2-CG 4.36Å; W180-L184 HydrophobicContact CZ3-CD1 3.64Å; W180-L184 WeakPolarHBondContact O-CB 3.37Å; W180-L184 WeakPolarHBondContact O-CG 3.49Å; W180-L184 PolarHBondContact O-N 2.84Å; L184-A186 PolarHBondContact O-N 3.22Å; L184-V187 PolarHBondContact O-N 3.35Å; L184-N188 WeakPolarHBondContact O-CB 2.98Å; L184-N188 PolarHBondContact O-N 3.3Å; L184-L269 HydrophobicContact CD2-CD1 4.06Å; L184-V331 HydrophobicContact CB-CG1 4.24Å; L184-V331 HydrophobicContact CD2-CG1 3.93Å; L184-V331 WeakPolarHBondContact O-CG1 3.26Å; L184-L334 HydrophobicContact CD1-CB 4.15Å; L184-L334 HydrophobicContact CD2-CB 3.75Å; L184-L334 HydrophobicContact CD2-CD1 4.14Å; L184-I335 HydrophobicContact CB-CD1 4.36Å; L184-I335 HydrophobicContact CB-CG1 3.85Å; L184-I335 HydrophobicContact CD1-CG1 4.34Å
185	R	97.2	Very high	95	Very high	26 Å²	26	25.1 Å²	25.1	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-44.2	-179	-66.9	169.9	-169.5	-149.6	-1.6	112.8	L134 L181 G182 M183 V187 N188 E189 I335 S347	L134-R185 HydrophobicContact CD1-CB 3.43Å; L134-R185 VanDerWaalsContact CD1-CB 3.43Å; L181-R185 HydrophobicContact CD1-CG 4.18Å; L181-R185 VanDerWaalsContact O-CG 3.29Å; L181-R185 WeakPolarHBondContact O-CG 3.34Å; L181-R185 PolarHBondContact O-N 2.77Å; G182-R185 PolarHBondContact O-N 3.28Å; M183-R185 PolarHBondContact O-N 3.02Å; R185-V187 PolarHBondContact O-N 3.43Å; R185-N188 VanDerWaalsContact O-CB 3.27Å; R185-N188 WeakPolarHBondContact O-CB 3.42Å; R185-N188 PolarHBondContact O-N 3.25Å; R185-N188 VanDerWaalsContact O-N 3.08Å; R185-E189 WeakPolarHBondContact O-CG 3.27Å; R185-E189 PolarHBondContact O-N 3.44Å; R185-E189 VanDerWaalsContact O-N 3.08Å; R185-I335 HydrophobicContact CG-CD1 4.08Å; R185-S347 PolarHBondContact NH1-O 3.3Å; R185-S347 PolarHBondContact NH2-O 3.3Å
186	A	97.2	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-38	177.9	0	0	0	0	0	111.9	L134 G182 M183 L184 F205 L214	L134-A186 HydrophobicContact CB-CB 4.08Å; L134-A186 WeakPolarHBondContact O-CB 3.26Å; G182-A186 PolarHBondContact O-N 2.91Å; G182-A186 VanDerWaalsContact O-N 3.1Å; M183-A186 PolarHBondContact O-N 3.33Å; L184-A186 PolarHBondContact O-N 3.22Å; A186-F205 HydrophobicContact CB-CE1 4.2Å; A186-L214 HydrophobicContact CB-CB 4.16Å
187	V	97.5	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.9	-35.3	174.6	176.4	0	0	0	0	111.9	M183 L184 R185 E189 I190 H191 L200 F205 D265 L269 V331	M183-V187 WeakPolarHBondContact O-CG2 3.47Å; M183-V187 PolarHBondContact O-N 2.79Å; L184-V187 PolarHBondContact O-N 3.35Å; R185-V187 PolarHBondContact O-N 3.43Å; V187-E189 VanDerWaalsContact C-N 3.29Å; V187-E189 PolarHBondContact O-N 2.81Å; V187-I190 HydrophobicContact CG1-CG1 4.49Å; V187-I190 WeakPolarHBondContact O-CG1 3.07Å; V187-I190 PolarHBondContact O-N 3.39Å; V187-H191 VanDerWaalsContact CG1-CE1 3.44Å; V187-H191 WeakPolarHBondContact CG1-CE1 3.41Å; V187-H191 WeakPolarHBondContact CG1-NE2 3.25Å; V187-H191 PolarHBondContact O-CD2 3.25Å; V187-H191 PolarHBondContact O-N 2.8Å; V187-L200 HydrophobicContact CG1-CD1 4.23Å; V187-L200 HydrophobicContact CG2-CD1 3.59Å; V187-L200 HydrophobicContact CG2-CD2 4.19Å; V187-F205 HydrophobicContact CG2-CE1 4.3Å; V187-F205 HydrophobicContact CG2-CZ 3.91Å; V187-D265 HydrophobicContact CG1-CB 4.01Å; V187-L269 HydrophobicContact CB-CD1 4.12Å; V187-L269 HydrophobicContact CG1-CD1 4.11Å; V187-L269 HydrophobicContact CG2-CD1 4.11Å; V187-L269 HydrophobicContact CG2-CD2 4.3Å; V187-V331 HydrophobicContact CG1-CG2 4.1Å
188	N	96.9	Very high	94.6	Very high	16 Å²	16	28 Å²	28	9%	0.086	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-39.8	175.7	-155.8	60.2	0	0	0	112.1	L184 R185 I190 H191 K192 V331 E332 I335	L184-N188 WeakPolarHBondContact O-CB 2.98Å; L184-N188 PolarHBondContact O-N 3.3Å; R185-N188 VanDerWaalsContact O-CB 3.27Å; R185-N188 WeakPolarHBondContact O-CB 3.42Å; R185-N188 PolarHBondContact O-N 3.25Å; R185-N188 VanDerWaalsContact O-N 3.08Å; N188-I190 PolarHBondContact O-N 2.96Å; N188-H191 PolarHBondContact O-N 3.14Å; N188-K192 WeakPolarHBondContact O-CG 3.47Å; N188-K192 PolarHBondContact O-N 2.77Å; N188-V331 HydrophobicContact CB-CG1 3.66Å; N188-E332 WeakPolarHBondContact OD1-CG 3.31Å; N188-E332 PolarHBondContact OD1-OE1 2.89Å; N188-I335 HydrophobicContact CB-CD1 4.06Å
189	E	96	Very high	94.3	Very high	43 Å²	43	24.2 Å²	24.2	20%	0.201	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-33.2	178.9	-59	-50	128.7	0	0	113.1	V132 L134 R185 V187 K192	V132-E189 HydrophobicContact CG1-CB 3.73Å; V132-E189 HydrophobicContact CG1-CG 3.64Å; L134-E189 HydrophobicContact CD1-CG 4.41Å; R185-E189 WeakPolarHBondContact O-CG 3.27Å; R185-E189 PolarHBondContact O-N 3.44Å; R185-E189 VanDerWaalsContact O-N 3.08Å; V187-E189 VanDerWaalsContact C-N 3.29Å; V187-E189 PolarHBondContact O-N 2.81Å; E189-K192 IonicContact OE1-NZ 3.95Å; E189-K192 PolarHBondContact OE1-NZ 2.65Å; E189-K192 IonicContact OE2-NZ 2.77Å; E189-K192 PolarHBondContact OE2-NZ 2.75Å
190	I	94.9	Very high	94.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-75.9	-34.2	172.8	69	164.8	0	0	0	111.8	L129 V187 N188 K192 I193 G194 V195 H197 L214 F217	L129-I190 HydrophobicContact CD1-CG2 3.8Å; V187-I190 HydrophobicContact CG1-CG1 4.49Å; V187-I190 WeakPolarHBondContact O-CG1 3.07Å; V187-I190 PolarHBondContact O-N 3.39Å; N188-I190 PolarHBondContact O-N 2.96Å; I190-K192 PolarHBondContact O-N 2.75Å; I190-I193 WeakPolarHBondContact O-CG1 3.38Å; I190-I193 PolarHBondContact O-N 3.33Å; I190-G194 PolarHBondContact O-N 3.2Å; I190-V195 CarbonylContact C-O 3.54Å; I190-V195 HydrophobicContact CB-CB 4.12Å; I190-V195 HydrophobicContact CB-CG1 4.27Å; I190-V195 HydrophobicContact CD1-CG1 4.35Å; I190-V195 WeakPolarHBondContact O-CB 3.38Å; I190-V195 PolarHBondContact O-N 3.32Å; I190-H197 HydrophobicContact CD1-CB 3.85Å; I190-L214 HydrophobicContact CD1-CD2 4.01Å; I190-L214 HydrophobicContact CG2-CD2 3.83Å; I190-F217 HydrophobicContact CG2-CD1 4.03Å; I190-F217 HydrophobicContact CG2-CE1 3.73Å
191	H	94.7	Very high	94	Very high	18 Å²	18	25 Å²	25	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-39.5	177	-73.8	-172.5	0	0	0	111.9	V187 N188 I193 G194 V195 T262 D265	V187-H191 VanDerWaalsContact CG1-CE1 3.44Å; V187-H191 WeakPolarHBondContact CG1-CE1 3.41Å; V187-H191 WeakPolarHBondContact CG1-NE2 3.25Å; V187-H191 PolarHBondContact O-CD2 3.25Å; V187-H191 PolarHBondContact O-N 2.8Å; N188-H191 PolarHBondContact O-N 3.14Å; H191-I193 PolarHBondContact O-N 3.32Å; H191-G194 PolarHBondContact O-N 3.3Å; H191-V195 PolarHBondContact CD2-O 3.31Å; H191-V195 VanDerWaalsContact CD2-O 3.3Å; H191-T262 HydrophobicContact CB-CG2 4.07Å; H191-T262 VanDerWaalsContact CE1-CB 3.49Å; H191-T262 WeakPolarHBondContact CE1-CB 3.48Å; H191-T262 PolarHBondContact CE1-O 2.99Å; H191-T262 VanDerWaalsContact CE1-O 3.25Å; H191-D265 IonicContact CD2-OD2 2.67Å; H191-D265 IonicContact CE1-OD2 3.79Å; H191-D265 IonicContact NE2-OD2 3.7Å; H191-D265 PolarHBondContact NE2-OD2 2.75Å
192	K	94.5	Very high	93.8	Very high	128 Å²	128	25.1 Å²	25.1	56%	0.557	14%	0.142	S	C	*	.	H	α-helix	trans	-55.9	-31.3	174.6	-75.8	171.1	-176	172.8	0	114.2	N188 E189 I190	N188-K192 WeakPolarHBondContact O-CG 3.47Å; N188-K192 PolarHBondContact O-N 2.77Å; E189-K192 IonicContact OE1-NZ 3.95Å; E189-K192 PolarHBondContact OE1-NZ 2.65Å; E189-K192 IonicContact OE2-NZ 2.77Å; E189-K192 PolarHBondContact OE2-NZ 2.75Å; I190-K192 PolarHBondContact O-N 2.75Å
193	I	92.8	Very high	93.6	Very high	71 Å²	71	26.9 Å²	26.9	36%	0.364	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.4	178.1	65	158.9	0	0	0	113.1	I125 L129 I190 H191 V195	I125-I193 HydrophobicContact CG2-CD1 3.95Å; L129-I193 HydrophobicContact CD1-CD1 3.82Å; L129-I193 HydrophobicContact CD2-CD1 3.89Å; L129-I193 HydrophobicContact CD2-CG1 4.45Å; L129-I193 HydrophobicContact CG-CD1 3.83Å; I190-I193 WeakPolarHBondContact O-CG1 3.38Å; I190-I193 PolarHBondContact O-N 3.33Å; H191-I193 PolarHBondContact O-N 3.32Å; I193-V195 VanDerWaalsContact C-N 3.35Å; I193-V195 HydrophobicContact CD1-CG2 3.78Å; I193-V195 HydrophobicContact CG1-CB 4.32Å; I193-V195 HydrophobicContact CG1-CG2 3.9Å; I193-V195 PolarHBondContact O-N 3.41Å
194	G	89.8	Confident	93.4	Very high	63 Å²	63	27.6 Å²	27.6	65%	0.649	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	16.2	177.4	0	0	0	0	0	115.2	I190 H191	I190-G194 PolarHBondContact O-N 3.2Å; H191-G194 PolarHBondContact O-N 3.3Å
195	V	90.1	Very high	93.3	Very high	10 Å²	10	27.6 Å²	27.6	6%	0.061	16%	0.157	C	C	.	.			trans	-92.7	133.5	177.5	175.1	0	0	0	0	109.7	I125 I190 H191 I193	I125-V195 HydrophobicContact CD1-CG1 4.34Å; I125-V195 HydrophobicContact CD1-CG2 3.61Å; I125-V195 HydrophobicContact CG1-CG2 3.98Å; I125-V195 HydrophobicContact CG2-CG2 4.08Å; I190-V195 CarbonylContact C-O 3.54Å; I190-V195 HydrophobicContact CB-CB 4.12Å; I190-V195 HydrophobicContact CB-CG1 4.27Å; I190-V195 HydrophobicContact CD1-CG1 4.35Å; I190-V195 WeakPolarHBondContact O-CB 3.38Å; I190-V195 PolarHBondContact O-N 3.32Å; H191-V195 PolarHBondContact CD2-O 3.31Å; H191-V195 VanDerWaalsContact CD2-O 3.3Å; I193-V195 VanDerWaalsContact C-N 3.35Å; I193-V195 HydrophobicContact CD1-CG2 3.78Å; I193-V195 HydrophobicContact CG1-CB 4.32Å; I193-V195 HydrophobicContact CG1-CG2 3.9Å; I193-V195 PolarHBondContact O-N 3.41Å
196	I	90.6	Very high	93.1	Very high	57 Å²	57	27 Å²	27	29%	0.292	16%	0.156	S	C	.	.			trans	-116.6	129.1	174.2	-57.2	156.3	0	0	0	106.6	A198 V260 S261 T262	I196-A198 HydrophobicContact CG2-CB 4.45Å; I196-V260 HydrophobicContact CG2-CG1 4.05Å; I196-S261 WeakPolarHBondContact CG2-O 3.3Å; I196-T262 HydrophobicContact CG1-CG2 4.04Å
197	H	91.2	Very high	92.9	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	16%	0.164	C	C	.	.			trans	-81.4	-35.9	-175	-177.2	-63	0	0	0	112.4	I190 D199 L200 N204 D216 F217 D265	I190-H197 HydrophobicContact CD1-CB 3.85Å; H197-D199 VanDerWaalsContact CE1-C 3.44Å; H197-D199 PolarHBondContact CE1-O 2.91Å; H197-D199 VanDerWaalsContact CE1-O 3.32Å; H197-D199 VanDerWaalsContact ND1-C 3.31Å; H197-D199 PolarHBondContact ND1-N 2.92Å; H197-D199 PolarHBondContact O-N 3.15Å; H197-L200 HydrophobicContact CB-CD2 3.87Å; H197-L200 HydrophobicContact CB-CG 3.86Å; H197-L200 VanDerWaalsContact CG-CD2 3.42Å; H197-L200 PolarHBondContact ND1-N 3.27Å; H197-N204 PolarHBondContact CE1-ND2 2.77Å; H197-N204 PolarHBondContact NE2-ND2 2.67Å; H197-D216 PolarHBondContact CD2-O 3.34Å; H197-D216 PolarHBondContact NE2-O 2.85Å; H197-F217 WeakPolarHBondContact CA-O 3.44Å; H197-F217 VanDerWaalsContact CD2-CA 3.47Å; H197-F217 WeakPolarHBondContact CD2-CA 3.2Å; H197-D265 PolarHBondContact N-OD1 3.18Å; H197-D265 PolarHBondContact N-OD2 3.08Å
198	A	87.7	Confident	92.5	Very high	32 Å²	32	28.9 Å²	28.9	26%	0.264	17%	0.167	S	C	.	.	S	Bend	trans	59.7	-15	177.1	0	0	0	0	0	117.7	I196 V260 T264 D265	I196-A198 HydrophobicContact CG2-CB 4.45Å; A198-V260 HydrophobicContact CB-CG1 4.03Å; A198-T264 HydrophobicContact CB-CG2 4.41Å; A198-D265 WeakPolarHBondContact CA-OD1 3.45Å; A198-D265 PolarHBondContact N-OD1 3.4Å
199	D	86.3	Confident	91.9	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.07	20%	0.197	C	C	.	.			trans	-125	36.1	178.4	-163.5	63.5	0	0	0	113.5	H197 K201 N204 N221 T238 M242	H197-D199 VanDerWaalsContact CE1-C 3.44Å; H197-D199 PolarHBondContact CE1-O 2.91Å; H197-D199 VanDerWaalsContact CE1-O 3.32Å; H197-D199 VanDerWaalsContact ND1-C 3.31Å; H197-D199 PolarHBondContact ND1-N 2.92Å; H197-D199 PolarHBondContact O-N 3.15Å; D199-K201 PolarHBondContact O-N 3.49Å; D199-K201 IonicContact OD1-NZ 3.09Å; D199-K201 IonicContact OD2-NZ 3.81Å; D199-K201 PolarHBondContact OD2-NZ 3.02Å; D199-N204 PolarHBondContact O-OD1 2.85Å; D199-N221 WeakPolarHBondContact CB-ND2 3.21Å; D199-N221 PolarHBondContact OD2-ND2 2.78Å; D199-T238 WeakPolarHBondContact OD1-CG2 3.43Å; D199-M242 WeakPolarHBondContact OD1-CE 3.38Å
200	L	94	Very high	91.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.			trans	-67.5	126.9	-177.1	-73.1	175.6	0	0	0	112.2	V187 H197 F205 L214 Y241 D265 S268 L269	V187-L200 HydrophobicContact CG1-CD1 4.23Å; V187-L200 HydrophobicContact CG2-CD1 3.59Å; V187-L200 HydrophobicContact CG2-CD2 4.19Å; H197-L200 HydrophobicContact CB-CD2 3.87Å; H197-L200 HydrophobicContact CB-CG 3.86Å; H197-L200 VanDerWaalsContact CG-CD2 3.42Å; H197-L200 PolarHBondContact ND1-N 3.27Å; L200-F205 HydrophobicContact CD2-CE2 4.05Å; L200-F205 HydrophobicContact CD2-CZ 3.83Å; L200-L214 HydrophobicContact CD2-CD1 3.93Å; L200-Y241 WeakPolarHBondContact O-CB 3.37Å; L200-D265 HydrophobicContact CD1-CB 3.56Å; L200-S268 WeakPolarHBondContact O-CB 3.44Å; L200-L269 HydrophobicContact CD1-CD2 4.43Å; L200-L269 HydrophobicContact CD1-CG 4.1Å
201	K	92.7	Very high	91.2	Very high	38 Å²	38	37.9 Å²	37.9	17%	0.165	22%	0.219	C	C	.	.			trans	-146.7	165.5	171.7	49.1	171.2	170.3	-93.3	0	109.5	D199 S203 N204 T238 Y241	D199-K201 PolarHBondContact O-N 3.49Å; D199-K201 IonicContact OD1-NZ 3.09Å; D199-K201 IonicContact OD2-NZ 3.81Å; D199-K201 PolarHBondContact OD2-NZ 3.02Å; K201-S203 VanDerWaalsContact CD-OG 3.3Å; K201-S203 WeakPolarHBondContact CD-OG 3.43Å; K201-S203 WeakPolarHBondContact CE-OG 3.41Å; K201-S203 WeakPolarHBondContact CG-OG 3.23Å; K201-S203 PolarHBondContact O-N 3.44Å; K201-N204 WeakPolarHBondContact CG-OD1 3.41Å; K201-N204 PolarHBondContact N-OD1 3.01Å; K201-N204 WeakPolarHBondContact O-CB 3.47Å; K201-N204 PolarHBondContact O-N 3.34Å; K201-N204 PolarHBondContact O-OD1 2.65Å; K201-T238 HydrophobicContact CD-CG2 3.89Å; K201-T238 HydrophobicContact CG-CG2 4.41Å; K201-T238 PolarHBondContact NZ-OG1 3.44Å; K201-Y241 HydrophobicContact CB-CD1 4.42Å; K201-Y241 HydrophobicContact CB-CD2 3.79Å; K201-Y241 HydrophobicContact CB-CE2 4.02Å; K201-Y241 HydrophobicContact CB-CG 4.02Å
202	P	93.4	Very high	91.2	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.026	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58.4	-23.3	-175.8	-27.5	36.9	0	0	0	114.8	L160 S161 F164 N204 F205 Y241 I272	L160-P202 HydrophobicContact CB-CB 4.21Å; L160-P202 WeakPolarHBondContact CB-O 3.2Å; L160-P202 PolarHBondContact N-O 2.81Å; S161-P202 PolarHBondContact N-O 2.94Å; F164-P202 HydrophobicContact CD2-CB 4.05Å; F164-P202 HydrophobicContact CD2-CG 4.37Å; F164-P202 HydrophobicContact CE2-CB 4.07Å; F164-P202 HydrophobicContact CE2-CG 4.38Å; P202-N204 VanDerWaalsContact C-N 3.29Å; P202-N204 PolarHBondContact O-N 2.72Å; P202-F205 PolarHBondContact O-N 3.37Å; P202-Y241 HydrophobicContact CG-CE1 4.11Å; P202-I272 HydrophobicContact CG-CD1 4.36Å; P202-I272 HydrophobicContact CG-CG1 4.04Å; P202-I272 HydrophobicContact CG-CG2 4.17Å
203	S	91	Very high	91.3	Very high	43 Å²	43	31.3 Å²	31.3	30%	0.301	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-73.3	-14.7	175.4	58.2	0	0	0	0	114.4	K201 F205	K201-S203 VanDerWaalsContact CD-OG 3.3Å; K201-S203 WeakPolarHBondContact CD-OG 3.43Å; K201-S203 WeakPolarHBondContact CE-OG 3.41Å; K201-S203 WeakPolarHBondContact CG-OG 3.23Å; K201-S203 PolarHBondContact O-N 3.44Å; S203-F205 PolarHBondContact O-N 3.34Å
204	N	94	Very high	91.5	Very high	14 Å²	14	28 Å²	28	8%	0.075	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-81.4	-2.2	174.2	-65.4	89.6	0	0	0	112.9	H197 D199 K201 P202 L214 I215	H197-N204 PolarHBondContact CE1-ND2 2.77Å; H197-N204 PolarHBondContact NE2-ND2 2.67Å; D199-N204 PolarHBondContact O-OD1 2.85Å; K201-N204 WeakPolarHBondContact CG-OD1 3.41Å; K201-N204 PolarHBondContact N-OD1 3.01Å; K201-N204 WeakPolarHBondContact O-CB 3.47Å; K201-N204 PolarHBondContact O-N 3.34Å; K201-N204 PolarHBondContact O-OD1 2.65Å; P202-N204 VanDerWaalsContact C-N 3.29Å; P202-N204 PolarHBondContact O-N 2.72Å; N204-L214 HydrophobicContact CB-CD1 4.27Å; N204-I215 VanDerWaalsContact O-CG1 3.28Å; N204-I215 WeakPolarHBondContact O-CG1 3.46Å; N204-I215 PolarHBondContact O-N 3.13Å
205	F	96.2	Very high	91.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140	179.9	-64.1	-77.7	0	0	0	110.5	D159 L160 M183 A186 V187 L200 P202 S203 V212 K213 L214 L269 I272	D159-F205 CarbonylContact C-O 3.55Å; D159-F205 VanDerWaalsContact CA-O 3.25Å; D159-F205 WeakPolarHBondContact CA-O 3.4Å; L160-F205 HydrophobicContact CB-CB 4.34Å; L160-F205 HydrophobicContact CD1-CB 3.6Å; L160-F205 HydrophobicContact CD1-CG 4.35Å; L160-F205 HydrophobicContact CG-CB 3.78Å; L160-F205 PolarHBondContact N-O 3.46Å; M183-F205 HydrophobicContact CB-CD1 4.44Å; M183-F205 HydrophobicContact CB-CE1 3.96Å; M183-F205 HydrophobicContact CB-CE2 4.25Å; M183-F205 HydrophobicContact CB-CZ 3.85Å; M183-F205 HydrophobicContact CG-CD1 3.86Å; M183-F205 HydrophobicContact CG-CD2 3.87Å; M183-F205 HydrophobicContact CG-CE1 3.87Å; M183-F205 HydrophobicContact CG-CE2 3.88Å; M183-F205 HydrophobicContact CG-CG 3.84Å; M183-F205 HydrophobicContact CG-CZ 3.87Å; M183-F205 HydrophobicContact SD-CD2 3.69Å; M183-F205 HydrophobicContact SD-CE2 3.81Å; M183-F205 HydrophobicContact SD-CG 4.17Å; M183-F205 HydrophobicContact SD-CZ 4.38Å; A186-F205 HydrophobicContact CB-CE1 4.2Å; V187-F205 HydrophobicContact CG2-CE1 4.3Å; V187-F205 HydrophobicContact CG2-CZ 3.91Å; L200-F205 HydrophobicContact CD2-CE2 4.05Å; L200-F205 HydrophobicContact CD2-CZ 3.83Å; P202-F205 PolarHBondContact O-N 3.37Å; S203-F205 PolarHBondContact O-N 3.34Å; F205-V212 HydrophobicContact CB-CG1 3.88Å; F205-V212 HydrophobicContact CD1-CG1 3.71Å; F205-V212 HydrophobicContact CG-CG1 4.08Å; F205-K213 CarbonylContact C-O 3.56Å; F205-K213 VanDerWaalsContact CA-O 3.29Å; F205-K213 WeakPolarHBondContact CA-O 3.5Å; F205-L214 HydrophobicContact CD1-CB 4.38Å; F205-L214 HydrophobicContact CD1-CD1 4.08Å; F205-L214 HydrophobicContact CE1-CB 4.29Å; F205-L214 HydrophobicContact CE1-CD1 3.68Å; F205-L214 HydrophobicContact CZ-CD1 4.02Å; F205-L269 HydrophobicContact CZ-CD2 4.33Å; F205-I272 HydrophobicContact CE2-CD1 4.31Å
206	V	94.5	Very high	91.4	Very high	13 Å²	13	28.5 Å²	28.5	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.7	172.8	-62.4	0	0	0	0	111.5	V158 D159 V212 K213 I215	V158-V206 CarbonylContact O-C 3.56Å; V158-V206 VanDerWaalsContact O-CA 3.29Å; V158-V206 WeakPolarHBondContact O-CA 3.35Å; D159-V206 HydrophobicContact CB-CG1 4.34Å; V206-V212 WeakPolarHBondContact O-CA 3.47Å; V206-K213 HydrophobicContact CG2-CB 4.12Å; V206-K213 PolarHBondContact N-O 2.96Å; V206-K213 PolarHBondContact O-N 2.94Å; V206-I215 HydrophobicContact CB-CG2 4.08Å; V206-I215 HydrophobicContact CG1-CD1 4.08Å; V206-I215 HydrophobicContact CG1-CG1 4.43Å; V206-I215 HydrophobicContact CG1-CG2 3.57Å; V206-I215 HydrophobicContact CG2-CG2 3.44Å; V206-I215 VanDerWaalsContact CG2-CG2 3.44Å
207	L	92.4	Very high	91	Very high	30 Å²	30	25.8 Å²	25.8	16%	0.157	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.1	165.9	-169.5	63.8	0	0	0	108.8	R157 V158 L160 Y179 K211	R157-L207 VanDerWaalsContact CB-O 3.31Å; R157-L207 WeakPolarHBondContact CB-O 3.2Å; R157-L207 PolarHBondContact N-O 2.95Å; V158-L207 HydrophobicContact CG1-CB 4.19Å; V158-L207 PolarHBondContact O-N 3.39Å; L160-L207 HydrophobicContact CD2-CB 4.49Å; Y179-L207 HydrophobicContact CE1-CD1 4.19Å; L207-K211 WeakPolarHBondContact CA-O 3.27Å
208	S	88.5	Confident	90.1	Very high	10 Å²	10	26 Å²	26	7%	0.07	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.2	173.7	-168.8	0	0	0	0	108.2	E154 G210 K211	E154-S208 PolarHBondContact OE1-OG 2.8Å; E154-S208 VanDerWaalsContact OE1-OG 3.11Å; S208-G210 PolarHBondContact O-N 3Å; S208-G210 VanDerWaalsContact O-N 3.1Å; S208-K211 PolarHBondContact N-O 3.37Å; S208-K211 WeakPolarHBondContact O-CA 3Å; S208-K211 WeakPolarHBondContact O-CB 3.41Å; S208-K211 PolarHBondContact O-N 3.06Å; S208-K211 VanDerWaalsContact O-O 3.1Å
209	E	85.1	Confident	89.2	Confident	151 Å²	151	25.6 Å²	25.6	71%	0.706	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	40.1	177.7	-59.9	176	-180	0	0	114.4	K211	E209-K211 PolarHBondContact O-N 3.36Å
210	G	83.2	Confident	87.8	Confident	42 Å²	42	25.7 Å²	25.7	43%	0.433	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	2.7	-179.1	0	0	0	0	0	115.5	S208	S208-G210 PolarHBondContact O-N 3Å; S208-G210 VanDerWaalsContact O-N 3.1Å
211	K	91.5	Very high	86	Confident	56 Å²	56	27.8 Å²	27.8	24%	0.243	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.7	177.7	-59.6	162.9	-171.6	159.2	0	110.7	D133 L207 S208 E209	D133-K211 WeakPolarHBondContact OD2-CD 3.47Å; D133-K211 WeakPolarHBondContact OD2-CE 3.41Å; D133-K211 IonicContact OD2-NZ 3.3Å; D133-K211 PolarHBondContact OD2-NZ 2.9Å; L207-K211 WeakPolarHBondContact CA-O 3.27Å; S208-K211 PolarHBondContact N-O 3.37Å; S208-K211 WeakPolarHBondContact O-CA 3Å; S208-K211 WeakPolarHBondContact O-CB 3.41Å; S208-K211 PolarHBondContact O-N 3.06Å; S208-K211 VanDerWaalsContact O-O 3.1Å; E209-K211 PolarHBondContact O-N 3.36Å
212	V	95.8	Very high	84.3	Confident	6 Å²	6	31.2 Å²	31.2	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.4	167.4	178.2	0	0	0	0	108.2	L160 Y179 M183 F205 V206	L160-V212 HydrophobicContact CD1-CG1 3.85Å; L160-V212 HydrophobicContact CD1-CG2 4.14Å; Y179-V212 HydrophobicContact CD1-CG2 3.88Å; M183-V212 HydrophobicContact CG-CG1 3.81Å; F205-V212 HydrophobicContact CB-CG1 3.88Å; F205-V212 HydrophobicContact CD1-CG1 3.71Å; F205-V212 HydrophobicContact CG-CG1 4.08Å; V206-V212 WeakPolarHBondContact O-CA 3.47Å
213	K	96.8	Very high	82.3	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.9	175	-57.8	-165.1	179.7	-158.8	0	111.4	D133 L134 E154 F205 V206	D133-K213 WeakPolarHBondContact O-CD 3.25Å; D133-K213 WeakPolarHBondContact O-CE 3.2Å; D133-K213 PolarHBondContact O-NZ 3.01Å; D133-K213 IonicContact OD1-NZ 2.79Å; D133-K213 PolarHBondContact OD1-NZ 3.45Å; L134-K213 CarbonylContact O-C 3.55Å; L134-K213 VanDerWaalsContact O-CA 3.26Å; L134-K213 WeakPolarHBondContact O-CA 3.43Å; E154-K213 VanDerWaalsContact CD-NZ 3.26Å; E154-K213 WeakPolarHBondContact OE1-CD 3.49Å; E154-K213 VanDerWaalsContact OE1-CE 3.29Å; E154-K213 WeakPolarHBondContact OE1-CE 3.15Å; E154-K213 IonicContact OE1-NZ 3.73Å; E154-K213 PolarHBondContact OE1-NZ 2.85Å; E154-K213 IonicContact OE2-NZ 3.77Å; E154-K213 PolarHBondContact OE2-NZ 3.43Å; F205-K213 CarbonylContact C-O 3.56Å; F205-K213 VanDerWaalsContact CA-O 3.29Å; F205-K213 WeakPolarHBondContact CA-O 3.5Å; V206-K213 HydrophobicContact CG2-CB 4.12Å; V206-K213 PolarHBondContact N-O 2.96Å; V206-K213 PolarHBondContact O-N 2.94Å
214	L	96.3	Very high	80.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.9	172.3	-176	72.3	0	0	0	110.4	L134 V136 A186 I190 L200 N204 F205 D216 F217	L134-L214 PolarHBondContact O-N 3.32Å; V136-L214 PolarHBondContact N-O 3.28Å; A186-L214 HydrophobicContact CB-CB 4.16Å; I190-L214 HydrophobicContact CD1-CD2 4.01Å; I190-L214 HydrophobicContact CG2-CD2 3.83Å; L200-L214 HydrophobicContact CD2-CD1 3.93Å; N204-L214 HydrophobicContact CB-CD1 4.27Å; F205-L214 HydrophobicContact CD1-CB 4.38Å; F205-L214 HydrophobicContact CD1-CD1 4.08Å; F205-L214 HydrophobicContact CE1-CB 4.29Å; F205-L214 HydrophobicContact CE1-CD1 3.68Å; F205-L214 HydrophobicContact CZ-CD1 4.02Å; L214-D216 WeakPolarHBondContact CG-O 3.46Å; L214-F217 HydrophobicContact CD2-CD1 3.91Å; L214-F217 HydrophobicContact CD2-CE1 3.94Å
215	I	92.7	Very high	78.3	Confident	58 Å²	58	33.5 Å²	33.5	30%	0.297	19%	0.188	S	C	.	.			trans	-114.5	-9.2	-173.7	62.3	157.1	0	0	0	116.8	V136 N204 V206	V136-I215 HydrophobicContact CB-CB 4.47Å; V136-I215 HydrophobicContact CB-CG2 4.15Å; V136-I215 HydrophobicContact CG1-CB 4.38Å; V136-I215 HydrophobicContact CG2-CG2 4.43Å; N204-I215 VanDerWaalsContact O-CG1 3.28Å; N204-I215 WeakPolarHBondContact O-CG1 3.46Å; N204-I215 PolarHBondContact O-N 3.13Å; V206-I215 HydrophobicContact CB-CG2 4.08Å; V206-I215 HydrophobicContact CG1-CD1 4.08Å; V206-I215 HydrophobicContact CG1-CG1 4.43Å; V206-I215 HydrophobicContact CG1-CG2 3.57Å; V206-I215 HydrophobicContact CG2-CG2 3.44Å; V206-I215 VanDerWaalsContact CG2-CG2 3.44Å
216	D	85.8	Confident	75.8	Confident	26 Å²	26	39.5 Å²	39.5	14%	0.139	22%	0.216	C	C	.	.			trans	-148	165.3	175.7	-159.1	-64.8	0	0	0	107.5	K104 H197 L214 G218 S220	K104-D216 IonicContact NZ-OD2 2.65Å; K104-D216 PolarHBondContact NZ-OD2 3.43Å; H197-D216 PolarHBondContact CD2-O 3.34Å; H197-D216 PolarHBondContact NE2-O 2.85Å; L214-D216 WeakPolarHBondContact CG-O 3.46Å; D216-G218 PolarHBondContact OD1-N 3.07Å; D216-S220 PolarHBondContact OD1-OG 2.96Å; D216-S220 PolarHBondContact OD2-OG 2.89Å
217	F	82.7	Confident	73.3	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.248	C	C	.	.			trans	-112.4	5.4	177.6	-57.5	-55.4	0	0	0	113.1	E122 I125 L126 L129 V135 I190 H197 L214 I219	E122-F217 HydrophobicContact CG-CD2 4.22Å; I125-F217 HydrophobicContact CB-CD2 4.06Å; I125-F217 HydrophobicContact CB-CE2 3.87Å; I125-F217 HydrophobicContact CG2-CD1 4.33Å; I125-F217 HydrophobicContact CG2-CD2 3.63Å; I125-F217 HydrophobicContact CG2-CE1 4.11Å; I125-F217 HydrophobicContact CG2-CE2 3.34Å; I125-F217 HydrophobicContact CG2-CG 4.13Å; I125-F217 HydrophobicContact CG2-CZ 3.62Å; L126-F217 HydrophobicContact CB-CE2 4.45Å; L126-F217 HydrophobicContact CD2-CE2 3.5Å; L126-F217 HydrophobicContact CD2-CZ 3.75Å; L126-F217 HydrophobicContact CG-CE2 3.69Å; L126-F217 HydrophobicContact CG-CZ 4.38Å; L129-F217 HydrophobicContact CD1-CE1 3.82Å; L129-F217 HydrophobicContact CD1-CZ 3.66Å; V135-F217 HydrophobicContact CG1-CE1 3.95Å; V135-F217 HydrophobicContact CG1-CZ 3.72Å; I190-F217 HydrophobicContact CG2-CD1 4.03Å; I190-F217 HydrophobicContact CG2-CE1 3.73Å; H197-F217 WeakPolarHBondContact CA-O 3.44Å; H197-F217 VanDerWaalsContact CD2-CA 3.47Å; H197-F217 WeakPolarHBondContact CD2-CA 3.2Å; L214-F217 HydrophobicContact CD2-CD1 3.91Å; L214-F217 HydrophobicContact CD2-CE1 3.94Å; F217-I219 HydrophobicContact CB-CD1 3.78Å; F217-I219 HydrophobicContact CB-CG1 3.98Å; F217-I219 PolarHBondContact O-N 2.88Å
218	G	71.2	Confident	71	Confident	7 Å²	7	47.8 Å²	47.8	7%	0.072	25%	0.251	C	S	.	.	S	Bend	trans	72.2	-9.9	-179.4	0	0	0	0	0	114.3	D216 S220 N221	D216-G218 PolarHBondContact OD1-N 3.07Å; G218-S220 PolarHBondContact O-N 3.12Å; G218-N221 VanDerWaalsContact O-CB 3.25Å; G218-N221 WeakPolarHBondContact O-CB 3.26Å; G218-N221 PolarHBondContact O-N 3.01Å; G218-N221 PolarHBondContact O-ND2 2.87Å
219	I	68.3	Low	68.9	Low	24 Å²	24	50.2 Å²	50.2	12%	0.123	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-54.2	-39	175	-65.7	173.3	0	0	0	110.8	V118 I125 F217 N221 L222	V118-I219 HydrophobicContact CB-CG2 4.46Å; V118-I219 HydrophobicContact CG1-CG2 3.47Å; V118-I219 VanDerWaalsContact CG1-CG2 3.47Å; V118-I219 VanDerWaalsContact CG1-O 3.24Å; V118-I219 WeakPolarHBondContact CG1-O 3.34Å; V118-I219 WeakPolarHBondContact O-CG2 3.47Å; I125-I219 HydrophobicContact CD1-CD1 3.32Å; F217-I219 HydrophobicContact CB-CD1 3.78Å; F217-I219 HydrophobicContact CB-CG1 3.98Å; F217-I219 PolarHBondContact O-N 2.88Å; I219-N221 PolarHBondContact O-N 3.46Å; I219-N221 VanDerWaalsContact O-N 3.12Å; I219-L222 WeakPolarHBondContact O-CB 3.34Å; I219-L222 PolarHBondContact O-N 3.14Å
220	S	57.3	Low	66.8	Low	14 Å²	14	47 Å²	47	10%	0.098	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.6	175.4	62.6	0	0	0	0	114.7	D216 G218 L223	D216-S220 PolarHBondContact OD1-OG 2.96Å; D216-S220 PolarHBondContact OD2-OG 2.89Å; G218-S220 PolarHBondContact O-N 3.12Å; S220-L223 VanDerWaalsContact O-CB 3.31Å; S220-L223 WeakPolarHBondContact O-CB 3.35Å; S220-L223 WeakPolarHBondContact O-CG 3.41Å; S220-L223 PolarHBondContact O-N 2.78Å
221	N	57.8	Low	64.6	Low	45 Å²	45	49.5 Å²	49.5	24%	0.241	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74.7	-24.3	173.6	-67.5	-46.7	0	0	0	112.9	D199 G218 I219 L223 Q224 S225	D199-N221 WeakPolarHBondContact CB-ND2 3.21Å; D199-N221 PolarHBondContact OD2-ND2 2.78Å; G218-N221 VanDerWaalsContact O-CB 3.25Å; G218-N221 WeakPolarHBondContact O-CB 3.26Å; G218-N221 PolarHBondContact O-N 3.01Å; G218-N221 PolarHBondContact O-ND2 2.87Å; I219-N221 PolarHBondContact O-N 3.46Å; I219-N221 VanDerWaalsContact O-N 3.12Å; N221-L223 PolarHBondContact O-N 2.89Å; N221-Q224 PolarHBondContact O-N 2.86Å; N221-Q224 VanDerWaalsContact O-N 3.09Å; N221-S225 PolarHBondContact O-N 3.12Å
222	L	55.2	Low	62.3	Low	110 Å²	110	51.1 Å²	51.1	58%	0.576	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.8	-28.9	173.4	-62.5	170.7	0	0	0	111.4	V118 I219 Q224 S225	V118-L222 HydrophobicContact CG1-CB 4.22Å; I219-L222 WeakPolarHBondContact O-CB 3.34Å; I219-L222 PolarHBondContact O-N 3.14Å; L222-Q224 PolarHBondContact O-N 2.86Å; L222-S225 PolarHBondContact O-N 2.82Å; L222-S225 PolarHBondContact O-OG 2.92Å
223	L	51.1	Low	59.9	Low	9 Å²	9	52.4 Å²	52.4	5%	0.047	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.7	-25.6	172	-51	173.1	0	0	0	112.4	Q115 V118 L119 S220 N221	Q115-L223 VanDerWaalsContact CA-CD2 3.44Å; Q115-L223 HydrophobicContact CB-CD2 3.65Å; Q115-L223 HydrophobicContact CG-CB 4.46Å; Q115-L223 HydrophobicContact CG-CD2 3.91Å; Q115-L223 PolarHBondContact NE2-O 3.14Å; Q115-L223 VanDerWaalsContact O-CD2 3.24Å; Q115-L223 WeakPolarHBondContact O-CD2 3.19Å; V118-L223 HydrophobicContact CB-CD2 3.59Å; V118-L223 HydrophobicContact CG1-CD2 3.38Å; V118-L223 HydrophobicContact CG1-CG 3.79Å; L119-L223 HydrophobicContact CD2-CD1 3.55Å; L119-L223 HydrophobicContact CG-CD1 3.97Å; L119-L223 HydrophobicContact CG-CD2 4.17Å; S220-L223 VanDerWaalsContact O-CB 3.31Å; S220-L223 WeakPolarHBondContact O-CB 3.35Å; S220-L223 WeakPolarHBondContact O-CG 3.41Å; S220-L223 PolarHBondContact O-N 2.78Å; N221-L223 PolarHBondContact O-N 2.89Å
224	Q	51.6	Low	57.2	Low	31 Å²	31	52.9 Å²	52.9	15%	0.145	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-102.9	-7.8	-169	-58.7	173.3	24.4	0	0	111.8	N221 L222 R228	N221-Q224 PolarHBondContact O-N 2.86Å; N221-Q224 VanDerWaalsContact O-N 3.09Å; L222-Q224 PolarHBondContact O-N 2.86Å; Q224-R228 WeakPolarHBondContact O-CG 3.46Å
225	S	49.3	Very low	54.5	Low	69 Å²	69	59.6 Å²	59.6	48%	0.483	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-72.1	-29.8	-171.4	46.2	0	0	0	0	115.1	N221 L222 H227	N221-S225 PolarHBondContact O-N 3.12Å; L222-S225 PolarHBondContact O-N 2.82Å; L222-S225 PolarHBondContact O-OG 2.92Å; S225-H227 PolarHBondContact O-N 3.21Å; S225-H227 VanDerWaalsContact O-N 3.15Å
226	E	45.4	Very low	52.1	Low	125 Å²	125	61.2 Å²	61.2	58%	0.584	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-67.9	-15.7	-175.2	-62.1	-159.7	167	0	0	114.6
227	H	42.3	Very low	50.4	Low	159 Å²	159	62.7 Å²	62.7	74%	0.736	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-123.2	-0.3	-176	-60.9	-18.7	0	0	0	113.9	S225	S225-H227 PolarHBondContact O-N 3.21Å; S225-H227 VanDerWaalsContact O-N 3.15Å
228	R	44.3	Very low	49.8	Very low	58 Å²	58	63 Å²	63	22%	0.219	35%	0.352	C	S	.	.			trans	-99.2	112	178.3	-70.5	-143.9	177.1	114.5	11.1	111.9	Q224 Q232 I233 L236	Q224-R228 WeakPolarHBondContact O-CG 3.46Å; R228-Q232 HydrophobicContact CB-CB 4.06Å; R228-Q232 HydrophobicContact CG-CB 4.03Å; R228-I233 HydrophobicContact CB-CG1 4.2Å; R228-L236 VanDerWaalsContact NH1-CD1 3.32Å
229	S	43.3	Very low	50.4	Low	61 Å²	61	62.9 Å²	62.9	43%	0.427	35%	0.349	S	S	.	.			trans	-59.3	158.5	159.7	65.6	0	0	0	0	110.8	T231 Q232 I233	S229-T231 PolarHBondContact O-N 3.46Å; S229-Q232 PolarHBondContact O-N 3.34Å; S229-I233 PolarHBondContact O-N 3.28Å
230	V	41.9	Very low	51.4	Low	83 Å²	83	62.6 Å²	62.6	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-50.5	-33.3	172.6	-179.9	0	0	0	0	111.3	Q232 I233 A234 I293	V230-Q232 PolarHBondContact O-N 3.4Å; V230-I233 PolarHBondContact O-N 2.92Å; V230-A234 WeakPolarHBondContact O-CB 3.41Å; V230-A234 PolarHBondContact O-N 3.36Å; V230-I293 HydrophobicContact CG1-CD1 4.28Å
231	T	37.2	Very low	53.1	Low	95 Å²	95	62.9 Å²	62.9	58%	0.583	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-37.8	174.6	-33.9	0	0	0	0	113.6	S229 A234 L235	S229-T231 PolarHBondContact O-N 3.46Å; T231-A234 WeakPolarHBondContact O-CB 3.47Å; T231-A234 PolarHBondContact O-N 3.41Å; T231-L235 WeakPolarHBondContact O-CG 3.29Å; T231-L235 PolarHBondContact O-N 3.01Å
232	Q	42.3	Very low	54.7	Low	91 Å²	91	61 Å²	61	43%	0.425	34%	0.341	S	S	.	.	H	α-helix	trans	-76.8	-29.1	176.4	-67.1	-171.5	-2	0	0	112.4	R228 S229 V230 A234 L236	R228-Q232 HydrophobicContact CB-CB 4.06Å; R228-Q232 HydrophobicContact CG-CB 4.03Å; S229-Q232 PolarHBondContact O-N 3.34Å; V230-Q232 PolarHBondContact O-N 3.4Å; Q232-A234 VanDerWaalsContact C-N 3.34Å; Q232-L236 WeakPolarHBondContact O-CG 3.07Å
233	I	44.9	Very low	56.5	Low	32 Å²	32	55.8 Å²	55.8	16%	0.164	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-40.6	169.5	-59.6	177	0	0	0	110	R228 S229 V230 L236 V239 M242	R228-I233 HydrophobicContact CB-CG1 4.2Å; S229-I233 PolarHBondContact O-N 3.28Å; V230-I233 PolarHBondContact O-N 2.92Å; I233-L236 PolarHBondContact O-N 3.04Å; I233-V239 HydrophobicContact CG2-CG2 4.4Å; I233-M242 HydrophobicContact CG2-CE 3.81Å; I233-M242 HydrophobicContact CG2-SD 4.19Å
234	A	40	Very low	58.4	Low	12 Å²	12	55.8 Å²	55.8	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.8	0	0	0	0	0	113	V230 T231 Q232 L236 G237 V239 I289	V230-A234 WeakPolarHBondContact O-CB 3.41Å; V230-A234 PolarHBondContact O-N 3.36Å; T231-A234 WeakPolarHBondContact O-CB 3.47Å; T231-A234 PolarHBondContact O-N 3.41Å; Q232-A234 VanDerWaalsContact C-N 3.34Å; A234-L236 PolarHBondContact O-N 3.41Å; A234-G237 PolarHBondContact O-N 3.35Å; A234-V239 HydrophobicContact CB-CG2 4.43Å; A234-I289 HydrophobicContact CB-CB 4.15Å; A234-I289 HydrophobicContact CB-CD1 3.79Å; A234-I289 HydrophobicContact CB-CG2 3.63Å
235	L	40	Very low	60	Low	141 Å²	141	54.5 Å²	54.5	74%	0.738	31%	0.309	S	S	*	.	H	α-helix	trans	-59.8	-17.9	-179.9	-84.4	158.3	0	0	0	115	T231 G237	T231-L235 WeakPolarHBondContact O-CG 3.29Å; T231-L235 PolarHBondContact O-N 3.01Å; L235-G237 VanDerWaalsContact C-N 3.26Å; L235-G237 PolarHBondContact O-N 3.44Å
236	L	42.9	Very low	61.7	Low	92 Å²	92	51.6 Å²	51.6	48%	0.482	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	11.8	-179.2	-68.3	165.3	0	0	0	114	R228 Q232 I233 A234 T238	R228-L236 VanDerWaalsContact NH1-CD1 3.32Å; Q232-L236 WeakPolarHBondContact O-CG 3.07Å; I233-L236 PolarHBondContact O-N 3.04Å; A234-L236 PolarHBondContact O-N 3.41Å; L236-T238 PolarHBondContact O-N 3.26Å; L236-T238 PolarHBondContact O-OG1 3.44Å
237	G	49.6	Very low	63.6	Low	58 Å²	58	46.1 Å²	46.1	60%	0.598	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	13.3	175.1	0	0	0	0	0	115	A234 L235	A234-G237 PolarHBondContact O-N 3.35Å; L235-G237 VanDerWaalsContact C-N 3.26Å; L235-G237 PolarHBondContact O-N 3.44Å
238	T	70.4	Confident	64.9	Low	7 Å²	7	40.1 Å²	40.1	4%	0.043	24%	0.239	C	C	.	.			trans	-99.4	-18	-171.1	-54.7	0	0	0	0	112.4	D199 K201 L236 G240 Y241 M242	D199-T238 WeakPolarHBondContact OD1-CG2 3.43Å; K201-T238 HydrophobicContact CD-CG2 3.89Å; K201-T238 HydrophobicContact CG-CG2 4.41Å; K201-T238 PolarHBondContact NZ-OG1 3.44Å; L236-T238 PolarHBondContact O-N 3.26Å; L236-T238 PolarHBondContact O-OG1 3.44Å; T238-G240 PolarHBondContact O-N 2.9Å; T238-G240 VanDerWaalsContact O-N 3.14Å; T238-Y241 PolarHBondContact O-N 3.01Å; T238-M242 HydrophobicContact CG2-CE 3.78Å
239	V	83.3	Confident	65.6	Low	4 Å²	4	40.6 Å²	40.6	2%	0.024	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-54	-36.8	-177.8	170.2	0	0	0	0	113.3	I233 A234 Y241 M242 L247 I289 I293	I233-V239 HydrophobicContact CG2-CG2 4.4Å; A234-V239 HydrophobicContact CB-CG2 4.43Å; V239-Y241 PolarHBondContact O-N 2.68Å; V239-Y241 VanDerWaalsContact O-N 3.12Å; V239-M242 HydrophobicContact CG2-SD 4.32Å; V239-M242 WeakPolarHBondContact O-CB 3.45Å; V239-M242 PolarHBondContact O-N 3.22Å; V239-L247 HydrophobicContact CG1-CD2 4.34Å; V239-I289 HydrophobicContact CB-CG2 3.96Å; V239-I289 HydrophobicContact CG1-CG2 3.78Å; V239-I289 HydrophobicContact CG2-CG2 3.99Å; V239-I293 HydrophobicContact CG1-CD1 4.08Å; V239-I293 HydrophobicContact CG1-CG1 3.51Å
240	G	89.7	Confident	66.3	Low	18 Å²	18	43 Å²	43	19%	0.186	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-66.5	-9.2	178.3	0	0	0	0	0	115.5	T238	T238-G240 PolarHBondContact O-N 2.9Å; T238-G240 VanDerWaalsContact O-N 3.14Å
241	Y	93.4	Very high	66.7	Low	20 Å²	20	44.6 Å²	44.6	8%	0.078	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-102.8	-9.2	171.5	-54.9	-85	0	0	0	113.3	L200 K201 P202 T238 V239 S268 T271 I272 L281	L200-Y241 WeakPolarHBondContact O-CB 3.37Å; K201-Y241 HydrophobicContact CB-CD1 4.42Å; K201-Y241 HydrophobicContact CB-CD2 3.79Å; K201-Y241 HydrophobicContact CB-CE2 4.02Å; K201-Y241 HydrophobicContact CB-CG 4.02Å; P202-Y241 HydrophobicContact CG-CE1 4.11Å; T238-Y241 PolarHBondContact O-N 3.01Å; V239-Y241 PolarHBondContact O-N 2.68Å; V239-Y241 VanDerWaalsContact O-N 3.12Å; Y241-S268 WeakPolarHBondContact O-CA 3.09Å; Y241-S268 WeakPolarHBondContact O-CB 3.24Å; Y241-S268 PolarHBondContact O-OG 3.49Å; Y241-T271 WeakPolarHBondContact CA-OG1 3.41Å; Y241-T271 WeakPolarHBondContact CD1-OG1 3.24Å; Y241-I272 HydrophobicContact CD1-CG1 3.77Å; Y241-I272 HydrophobicContact CE1-CG1 3.81Å; Y241-L281 HydrophobicContact CD1-CD2 4.01Å; Y241-L281 HydrophobicContact CE1-CD1 4.48Å; Y241-L281 HydrophobicContact CE1-CD2 3.53Å; Y241-L281 HydrophobicContact CE2-CD1 4.14Å
242	M	91.2	Very high	67	Low	6 Å²	6	49.8 Å²	49.8	3%	0.03	28%	0.275	C	S	.	.			trans	-78.8	143.9	-176	-64.1	-178.4	-179.7	0	0	111.2	D199 I233 T238 V239 L247 R250 W267	D199-M242 WeakPolarHBondContact OD1-CE 3.38Å; I233-M242 HydrophobicContact CG2-CE 3.81Å; I233-M242 HydrophobicContact CG2-SD 4.19Å; T238-M242 HydrophobicContact CG2-CE 3.78Å; V239-M242 HydrophobicContact CG2-SD 4.32Å; V239-M242 WeakPolarHBondContact O-CB 3.45Å; V239-M242 PolarHBondContact O-N 3.22Å; M242-L247 HydrophobicContact CB-CD1 4.37Å; M242-L247 HydrophobicContact CB-CD2 3.88Å; M242-L247 HydrophobicContact CB-CG 3.94Å; M242-L247 HydrophobicContact SD-CD2 3.97Å; M242-R250 PolarHBondContact SD-NH1 3.27Å; M242-W267 PolarHBondContact O-NE1 3.34Å
243	S	91.9	Very high	66.9	Low	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.			trans	-81	160.3	179.2	72.4	0	0	0	0	112.7	E245 A246 L247 T264 W267	S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 WeakPolarHBondContact CB-OE1 3.35Å; S243-E245 WeakPolarHBondContact CB-OE2 3.44Å; S243-E245 PolarHBondContact O-N 2.72Å; S243-E245 PolarHBondContact OG-OE1 3.27Å; S243-E245 PolarHBondContact OG-OE2 3.49Å; S243-A246 PolarHBondContact O-N 3.35Å; S243-A246 VanDerWaalsContact O-N 3.16Å; S243-A246 WeakPolarHBondContact OG-CB 3.29Å; S243-A246 PolarHBondContact OG-N 3.38Å; S243-L247 WeakPolarHBondContact O-CG 3.49Å; S243-L247 PolarHBondContact O-N 3.06Å; S243-T264 WeakPolarHBondContact OG-CG2 3.43Å; S243-W267 VanDerWaalsContact CA-CD1 3.4Å
244	P	91.4	Very high	66.5	Low	10 Å²	10	54.9 Å²	54.9	7%	0.065	32%	0.318	C	S	.	.	H	α-helix	trans	-53.7	-45.1	175.3	-25.7	34.7	0	0	0	112.2	A246 L247 C248 W267 T296 R323	P244-A246 PolarHBondContact O-N 3.24Å; P244-L247 PolarHBondContact O-N 3.04Å; P244-C248 WeakPolarHBondContact O-CB 3.28Å; P244-C248 PolarHBondContact O-N 3.37Å; P244-C248 PolarHBondContact O-SG 3.39Å; P244-C248 VanDerWaalsContact O-SG 3.41Å; P244-W267 HydrophobicContact CG-CE3 4.28Å; P244-W267 HydrophobicContact CG-CH2 3.73Å; P244-W267 HydrophobicContact CG-CZ2 4.16Å; P244-W267 HydrophobicContact CG-CZ3 3.8Å; P244-T296 HydrophobicContact CG-CG2 3.93Å; P244-R323 HydrophobicContact CG-CB 4.24Å; P244-R323 HydrophobicContact CG-CG 4.01Å
245	E	86.4	Confident	66.6	Low	4 Å²	4	60.9 Å²	60.9	2%	0.019	35%	0.345	C	S	.	.	H	α-helix	trans	-69.9	-31.6	-179.6	71.6	-74	169.8	0	0	113.3	S243 L247 A249 I258 T264 P325 R328	S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 WeakPolarHBondContact CB-OE1 3.35Å; S243-E245 WeakPolarHBondContact CB-OE2 3.44Å; S243-E245 PolarHBondContact O-N 2.72Å; S243-E245 PolarHBondContact OG-OE1 3.27Å; S243-E245 PolarHBondContact OG-OE2 3.49Å; E245-L247 VanDerWaalsContact C-N 3.34Å; E245-A249 WeakPolarHBondContact O-CB 3.35Å; E245-A249 PolarHBondContact O-N 2.69Å; E245-I258 HydrophobicContact CB-CB 3.94Å; E245-I258 HydrophobicContact CB-CG2 3.56Å; E245-I258 HydrophobicContact CG-CG2 4.09Å; E245-T264 VanDerWaalsContact OE1-CA 3.28Å; E245-T264 WeakPolarHBondContact OE1-CA 3.3Å; E245-T264 WeakPolarHBondContact OE1-CB 3.36Å; E245-T264 PolarHBondContact OE1-OG1 3.22Å; E245-P325 HydrophobicContact CB-CG 4.3Å; E245-P325 HydrophobicContact CG-CG 3.91Å; E245-P325 WeakPolarHBondContact OE2-CG 3.34Å; E245-R328 IonicContact OE1-CZ 3.19Å; E245-R328 IonicContact OE1-NH1 2.62Å; E245-R328 PolarHBondContact OE1-NH1 3.31Å; E245-R328 IonicContact OE1-NH2 3.74Å; E245-R328 IonicContact OE2-CZ 2.76Å; E245-R328 IonicContact OE2-NH1 2.93Å; E245-R328 PolarHBondContact OE2-NH1 3.08Å; E245-R328 IonicContact OE2-NH2 2.94Å; E245-R328 PolarHBondContact OE2-NH2 2.93Å
246	A	84.4	Confident	66.8	Low	8 Å²	8	62.4 Å²	62.4	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-72.6	-26.5	173.8	0	0	0	0	0	113.2	S243 P244 T264	S243-A246 PolarHBondContact O-N 3.35Å; S243-A246 VanDerWaalsContact O-N 3.16Å; S243-A246 WeakPolarHBondContact OG-CB 3.29Å; S243-A246 PolarHBondContact OG-N 3.38Å; P244-A246 PolarHBondContact O-N 3.24Å; A246-T264 HydrophobicContact CB-CG2 4.1Å
247	L	84.1	Confident	67	Low	10 Å²	10	67.8 Å²	67.8	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-81	-45.8	174.6	-67.8	172	0	0	0	111.6	V239 M242 S243 P244 E245 R250 I293 T296	V239-L247 HydrophobicContact CG1-CD2 4.34Å; M242-L247 HydrophobicContact CB-CD1 4.37Å; M242-L247 HydrophobicContact CB-CD2 3.88Å; M242-L247 HydrophobicContact CB-CG 3.94Å; M242-L247 HydrophobicContact SD-CD2 3.97Å; S243-L247 WeakPolarHBondContact O-CG 3.49Å; S243-L247 PolarHBondContact O-N 3.06Å; P244-L247 PolarHBondContact O-N 3.04Å; E245-L247 VanDerWaalsContact C-N 3.34Å; L247-R250 PolarHBondContact O-N 2.84Å; L247-I293 HydrophobicContact CB-CG2 4.34Å; L247-I293 HydrophobicContact CD1-CG1 4.36Å; L247-I293 HydrophobicContact CD1-CG2 4.29Å; L247-I293 HydrophobicContact CD2-CD1 4.47Å; L247-I293 HydrophobicContact CD2-CG1 4.11Å; L247-I293 HydrophobicContact CD2-CG2 4.5Å; L247-T296 HydrophobicContact CD1-CG2 3.6Å
248	C	71.5	Confident	67.3	Low	33 Å²	33	69 Å²	69	22%	0.223	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-37.8	177	-69.4	0	0	0	0	112.7	P244 R250 Q251 C297	P244-C248 WeakPolarHBondContact O-CB 3.28Å; P244-C248 PolarHBondContact O-N 3.37Å; P244-C248 PolarHBondContact O-SG 3.39Å; P244-C248 VanDerWaalsContact O-SG 3.41Å; C248-R250 PolarHBondContact O-N 2.93Å; C248-R250 VanDerWaalsContact O-N 3.08Å; C248-Q251 PolarHBondContact O-N 3.02Å; C248-C297 VanDerWaalsContact SG-SG 3.68Å
249	A	58.9	Low	67	Low	68 Å²	68	77.2 Å²	77.2	56%	0.562	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.4	176.7	0	0	0	0	0	114	E245	E245-A249 WeakPolarHBondContact O-CB 3.35Å; E245-A249 PolarHBondContact O-N 2.69Å
250	R	56.2	Low	66.6	Low	110 Å²	110	79.6 Å²	79.6	42%	0.415	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	0	172.5	-69.6	176.9	174.4	157.6	0.7	113.4	M242 L247 C248	M242-R250 PolarHBondContact SD-NH1 3.27Å; L247-R250 PolarHBondContact O-N 2.84Å; C248-R250 PolarHBondContact O-N 2.93Å; C248-R250 VanDerWaalsContact O-N 3.08Å
251	Q	51.9	Low	66.5	Low	118 Å²	118	80.5 Å²	80.5	55%	0.551	41%	0.413	S	S	*	.	S	Bend	trans	-101.7	108.1	170.6	-65.9	-176.8	-18.6	0	0	107.7	C248 G253	C248-Q251 PolarHBondContact O-N 3.02Å; Q251-G253 PolarHBondContact O-N 3.12Å
252	E	42	Very low	66.4	Low	204 Å²	204	81.9 Å²	81.9	95%	0.953	42%	0.423	S	S	*	.			trans	-67.4	119.9	176.1	-65.7	178.2	144	0	0	110
253	G	41.6	Very low	66.6	Low	52 Å²	52	83.5 Å²	83.5	54%	0.536	43%	0.431	S	S	.	.	S	Bend	trans	144.5	112.3	174.2	0	0	0	0	0	113.3	Q251 M255	Q251-G253 PolarHBondContact O-N 3.12Å; G253-M255 PolarHBondContact O-N 3.44Å
254	D	36.3	Very low	66.6	Low	178 Å²	178	83.5 Å²	83.5	95%	0.952	43%	0.431	S	S	*	.	S	Bend	trans	31	-4.3	159.9	-61.2	-15.4	0	0	0	123.8	E256	D254-E256 PolarHBondContact O-N 2.96Å
255	M	40.7	Very low	66.8	Low	138 Å²	138	83 Å²	83	68%	0.68	43%	0.427	S	S	*	.	S	Bend	trans	-65.3	132.5	168.3	-70.9	-90.9	-79.7	0	0	109.1	G253 K257	G253-M255 PolarHBondContact O-N 3.44Å; M255-K257 PolarHBondContact O-N 3.07Å
256	E	44.1	Very low	67.4	Low	172 Å²	172	82.9 Å²	82.9	80%	0.804	43%	0.427	S	S	*	.			trans	-42	120.4	175.8	-79.5	-162.7	135.7	0	0	109.9	D254 I258	D254-E256 PolarHBondContact O-N 2.96Å; E256-I258 PolarHBondContact O-N 2.85Å
257	K	47.7	Very low	68	Low	205 Å²	205	82.7 Å²	82.7	89%	0.891	42%	0.424	S	S	*	.			trans	-68.9	80.9	-176.6	-69.6	179.9	179.9	175.4	0	109.9	M255 K259	M255-K257 PolarHBondContact O-N 3.07Å; K257-K259 VanDerWaalsContact C-N 3.29Å; K257-K259 PolarHBondContact O-N 2.86Å
258	I	56.9	Low	68.6	Low	83 Å²	83	82.2 Å²	82.2	43%	0.426	42%	0.422	S	S	.	.			trans	-63	95.4	170.9	-59.7	179.8	0	0	0	106.7	E245 E256 V260 P325	E245-I258 HydrophobicContact CB-CB 3.94Å; E245-I258 HydrophobicContact CB-CG2 3.56Å; E245-I258 HydrophobicContact CG-CG2 4.09Å; E256-I258 PolarHBondContact O-N 2.85Å; I258-V260 PolarHBondContact O-N 3.35Å; I258-P325 HydrophobicContact CG2-CG 3.83Å
259	K	64.4	Low	69.8	Low	181 Å²	181	80.7 Å²	80.7	79%	0.787	41%	0.411	S	S	*	.			trans	-60.1	131.4	-175.4	-168.9	177	179.6	179.5	0	109.9	K257 S261	K257-K259 VanDerWaalsContact C-N 3.29Å; K257-K259 PolarHBondContact O-N 2.86Å; K259-S261 PolarHBondContact O-N 3.4Å
260	V	74.7	Confident	71.7	Confident	53 Å²	53	77.4 Å²	77.4	32%	0.321	39%	0.385	S	S	.	.			trans	-51.2	131.7	170	174.7	0	0	0	0	108.9	I196 A198 I258 T264	I196-V260 HydrophobicContact CG2-CG1 4.05Å; A198-V260 HydrophobicContact CB-CG1 4.03Å; I258-V260 PolarHBondContact O-N 3.35Å; V260-T264 HydrophobicContact CG1-CG2 4.21Å
261	S	86	Confident	73.6	Confident	37 Å²	37	72.2 Å²	72.2	26%	0.259	37%	0.365	S	S	.	.			trans	-143.2	174.7	-173.1	58.8	0	0	0	0	109.9	I196 K259 K263 T264	I196-S261 WeakPolarHBondContact CG2-O 3.3Å; K259-S261 PolarHBondContact O-N 3.4Å; S261-K263 PolarHBondContact O-N 2.89Å; S261-T264 PolarHBondContact N-OG1 3.44Å; S261-T264 WeakPolarHBondContact O-CB 3.36Å; S261-T264 PolarHBondContact O-N 2.86Å; S261-T264 PolarHBondContact O-OG1 2.88Å
262	T	92.5	Very high	75.7	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.301	34%	0.339	S	S	.	.	H	α-helix	trans	-53.5	-25.9	173.7	51.6	0	0	0	0	113	H191 I196 T264 D265 V266	H191-T262 HydrophobicContact CB-CG2 4.07Å; H191-T262 VanDerWaalsContact CE1-CB 3.49Å; H191-T262 WeakPolarHBondContact CE1-CB 3.48Å; H191-T262 PolarHBondContact CE1-O 2.99Å; H191-T262 VanDerWaalsContact CE1-O 3.25Å; I196-T262 HydrophobicContact CG1-CG2 4.04Å; T262-T264 PolarHBondContact O-N 2.86Å; T262-D265 PolarHBondContact O-N 3.42Å; T262-V266 PolarHBondContact O-N 3.42Å
263	K	94.8	Very high	78.3	Confident	41 Å²	41	57 Å²	57	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-26.8	173.1	-55.7	-66.2	-175.8	167.5	0	113.3	S261 V266 W267 P325 R328 S329	S261-K263 PolarHBondContact O-N 2.89Å; K263-V266 WeakPolarHBondContact O-CB 3.16Å; K263-V266 PolarHBondContact O-N 3.24Å; K263-W267 PolarHBondContact O-N 2.95Å; K263-P325 HydrophobicContact CB-CB 3.85Å; K263-P325 HydrophobicContact CG-CB 4.29Å; K263-P325 WeakPolarHBondContact CG-O 3.19Å; K263-R328 HydrophobicContact CD-CB 4.42Å; K263-R328 PolarHBondContact NZ-O 3.34Å; K263-R328 WeakPolarHBondContact O-CD 3.4Å; K263-R328 PolarHBondContact O-NH1 2.92Å; K263-S329 WeakPolarHBondContact CD-O 3.32Å; K263-S329 PolarHBondContact NZ-O 2.91Å
264	T	92.7	Very high	80.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-44.9	176.2	-61.7	0	0	0	0	110.7	A198 S243 E245 A246 V260 S261 T262 V266 W267 S268	A198-T264 HydrophobicContact CB-CG2 4.41Å; S243-T264 WeakPolarHBondContact OG-CG2 3.43Å; E245-T264 VanDerWaalsContact OE1-CA 3.28Å; E245-T264 WeakPolarHBondContact OE1-CA 3.3Å; E245-T264 WeakPolarHBondContact OE1-CB 3.36Å; E245-T264 PolarHBondContact OE1-OG1 3.22Å; A246-T264 HydrophobicContact CB-CG2 4.1Å; V260-T264 HydrophobicContact CG1-CG2 4.21Å; S261-T264 PolarHBondContact N-OG1 3.44Å; S261-T264 WeakPolarHBondContact O-CB 3.36Å; S261-T264 PolarHBondContact O-N 2.86Å; S261-T264 PolarHBondContact O-OG1 2.88Å; T262-T264 PolarHBondContact O-N 2.86Å; T264-V266 VanDerWaalsContact C-N 3.31Å; T264-V266 PolarHBondContact O-N 2.74Å; T264-W267 WeakPolarHBondContact O-CB 3.15Å; T264-W267 PolarHBondContact O-N 3.29Å; T264-S268 PolarHBondContact O-N 3.37Å
265	D	95.5	Very high	83.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-35.4	175.3	-68.3	-23.5	0	0	0	112.4	V187 H191 H197 A198 L200 T262 W267 S268 L269	V187-D265 HydrophobicContact CG1-CB 4.01Å; H191-D265 IonicContact CD2-OD2 2.67Å; H191-D265 IonicContact CE1-OD2 3.79Å; H191-D265 IonicContact NE2-OD2 3.7Å; H191-D265 PolarHBondContact NE2-OD2 2.75Å; H197-D265 PolarHBondContact N-OD1 3.18Å; H197-D265 PolarHBondContact N-OD2 3.08Å; A198-D265 WeakPolarHBondContact CA-OD1 3.45Å; A198-D265 PolarHBondContact N-OD1 3.4Å; L200-D265 HydrophobicContact CD1-CB 3.56Å; T262-D265 PolarHBondContact O-N 3.42Å; D265-W267 VanDerWaalsContact C-N 3.32Å; D265-W267 PolarHBondContact O-N 3.44Å; D265-S268 PolarHBondContact O-N 3.13Å; D265-L269 WeakPolarHBondContact O-CG 3.15Å; D265-L269 PolarHBondContact O-N 3.39Å
266	V	98	Very high	86	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-37.9	175.4	173.9	0	0	0	0	112.1	T262 K263 T264 G270 C320 R328 V331 L334	T262-V266 PolarHBondContact O-N 3.42Å; K263-V266 WeakPolarHBondContact O-CB 3.16Å; K263-V266 PolarHBondContact O-N 3.24Å; T264-V266 VanDerWaalsContact C-N 3.31Å; T264-V266 PolarHBondContact O-N 2.74Å; V266-G270 PolarHBondContact O-N 2.89Å; V266-C320 HydrophobicContact CG1-CB 4.26Å; V266-R328 HydrophobicContact CB-CG 4.48Å; V266-R328 HydrophobicContact CG1-CG 3.91Å; V266-V331 HydrophobicContact CG2-CG2 3.69Å; V266-L334 HydrophobicContact CG1-CD1 3.61Å
267	W	97.2	Very high	88.2	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.011	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-48.6	174.3	174.2	-79.2	0	0	0	111	M242 S243 P244 K263 T264 D265 L269 G270 T271 T296 I303 L321 R323	M242-W267 PolarHBondContact O-NE1 3.34Å; S243-W267 VanDerWaalsContact CA-CD1 3.4Å; P244-W267 HydrophobicContact CG-CE3 4.28Å; P244-W267 HydrophobicContact CG-CH2 3.73Å; P244-W267 HydrophobicContact CG-CZ2 4.16Å; P244-W267 HydrophobicContact CG-CZ3 3.8Å; K263-W267 PolarHBondContact O-N 2.95Å; T264-W267 WeakPolarHBondContact O-CB 3.15Å; T264-W267 PolarHBondContact O-N 3.29Å; D265-W267 VanDerWaalsContact C-N 3.32Å; D265-W267 PolarHBondContact O-N 3.44Å; W267-L269 VanDerWaalsContact C-N 3.34Å; W267-L269 PolarHBondContact O-N 3.21Å; W267-G270 CarbonylContact O-C 3.59Å; W267-G270 WeakPolarHBondContact O-CA 3.33Å; W267-G270 PolarHBondContact O-N 2.72Å; W267-T271 PolarHBondContact O-N 2.98Å; W267-T296 HydrophobicContact CH2-CG2 4.37Å; W267-T296 HydrophobicContact CZ2-CG2 3.75Å; W267-I303 HydrophobicContact CH2-CD1 3.82Å; W267-I303 HydrophobicContact CZ3-CD1 4.4Å; W267-L321 HydrophobicContact CD2-CD2 4.05Å; W267-L321 HydrophobicContact CE3-CD2 4.27Å; W267-L321 HydrophobicContact CG-CD2 4.46Å; W267-L321 HydrophobicContact CZ2-CD2 4.49Å; W267-L321 HydrophobicContact CZ3-CB 4.41Å; W267-L321 WeakPolarHBondContact CZ3-O 3.32Å; W267-R323 HydrophobicContact CH2-CG 4.16Å; W267-R323 HydrophobicContact CZ3-CG 4.05Å
268	S	96.6	Very high	90.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-45	178.8	-58.8	0	0	0	0	111.5	L200 Y241 T264 D265 G270 T271 I272	L200-S268 WeakPolarHBondContact O-CB 3.44Å; Y241-S268 WeakPolarHBondContact O-CA 3.09Å; Y241-S268 WeakPolarHBondContact O-CB 3.24Å; Y241-S268 PolarHBondContact O-OG 3.49Å; T264-S268 PolarHBondContact O-N 3.37Å; D265-S268 PolarHBondContact O-N 3.13Å; S268-G270 VanDerWaalsContact C-N 3.27Å; S268-G270 PolarHBondContact O-N 3.27Å; S268-T271 PolarHBondContact O-N 3.03Å; S268-T271 VanDerWaalsContact O-N 3.13Å; S268-T271 PolarHBondContact O-OG1 3.03Å; S268-I272 WeakPolarHBondContact O-CG1 3.38Å; S268-I272 PolarHBondContact O-N 2.94Å
269	L	98.2	Very high	91.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-35.8	171.8	-70.9	169.2	0	0	0	113	W180 M183 L184 V187 L200 F205 D265 W267 L273 V331	W180-L269 PolarHBondContact NE1-O 3.45Å; W180-L269 VanDerWaalsContact NE1-O 3.1Å; M183-L269 HydrophobicContact CB-CD2 3.71Å; L184-L269 HydrophobicContact CD2-CD1 4.06Å; V187-L269 HydrophobicContact CB-CD1 4.12Å; V187-L269 HydrophobicContact CG1-CD1 4.11Å; V187-L269 HydrophobicContact CG2-CD1 4.11Å; V187-L269 HydrophobicContact CG2-CD2 4.3Å; L200-L269 HydrophobicContact CD1-CD2 4.43Å; L200-L269 HydrophobicContact CD1-CG 4.1Å; F205-L269 HydrophobicContact CZ-CD2 4.33Å; D265-L269 WeakPolarHBondContact O-CG 3.15Å; D265-L269 PolarHBondContact O-N 3.39Å; W267-L269 VanDerWaalsContact C-N 3.34Å; W267-L269 PolarHBondContact O-N 3.21Å; L269-L273 PolarHBondContact O-N 3.3Å; L269-V331 HydrophobicContact CD1-CG2 4.3Å
270	G	97.9	Very high	92.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-43.6	172	0	0	0	0	0	113.3	V266 W267 S268 I272 L273 Y274 L317 C320	V266-G270 PolarHBondContact O-N 2.89Å; W267-G270 CarbonylContact O-C 3.59Å; W267-G270 WeakPolarHBondContact O-CA 3.33Å; W267-G270 PolarHBondContact O-N 2.72Å; S268-G270 VanDerWaalsContact C-N 3.27Å; S268-G270 PolarHBondContact O-N 3.27Å; G270-I272 VanDerWaalsContact C-N 3.34Å; G270-I272 PolarHBondContact O-N 2.79Å; G270-L273 PolarHBondContact O-N 3.27Å; G270-Y274 WeakPolarHBondContact O-CB 3.31Å; G270-Y274 PolarHBondContact O-N 2.86Å; G270-L317 WeakPolarHBondContact O-CD2 3.19Å; G270-C320 VanDerWaalsContact CA-CB 3.48Å
271	T	96.5	Very high	93.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-67.7	-33.4	177	61.6	0	0	0	0	112.4	Y241 W267 S268 Y274 R275 P282 L321	Y241-T271 WeakPolarHBondContact CA-OG1 3.41Å; Y241-T271 WeakPolarHBondContact CD1-OG1 3.24Å; W267-T271 PolarHBondContact O-N 2.98Å; S268-T271 PolarHBondContact O-N 3.03Å; S268-T271 VanDerWaalsContact O-N 3.13Å; S268-T271 PolarHBondContact O-OG1 3.03Å; T271-Y274 PolarHBondContact O-N 2.92Å; T271-R275 PolarHBondContact O-N 2.84Å; T271-P282 HydrophobicContact CG2-CG 4.34Å; T271-L321 HydrophobicContact CG2-CD2 3.74Å
272	I	96.1	Very high	94	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-46.9	171.3	-63.5	169.3	0	0	0	110.5	F164 M183 P202 F205 Y241 S268 G270 Y274 R275 L276	F164-I272 HydrophobicContact CE2-CG2 4.44Å; M183-I272 HydrophobicContact CE-CG2 3.59Å; M183-I272 HydrophobicContact SD-CD1 4.29Å; M183-I272 HydrophobicContact SD-CG2 3.92Å; P202-I272 HydrophobicContact CG-CD1 4.36Å; P202-I272 HydrophobicContact CG-CG1 4.04Å; P202-I272 HydrophobicContact CG-CG2 4.17Å; F205-I272 HydrophobicContact CE2-CD1 4.31Å; Y241-I272 HydrophobicContact CD1-CG1 3.77Å; Y241-I272 HydrophobicContact CE1-CG1 3.81Å; S268-I272 WeakPolarHBondContact O-CG1 3.38Å; S268-I272 PolarHBondContact O-N 2.94Å; G270-I272 VanDerWaalsContact C-N 3.34Å; G270-I272 PolarHBondContact O-N 2.79Å; I272-Y274 VanDerWaalsContact C-N 3.32Å; I272-Y274 PolarHBondContact O-N 3.14Å; I272-R275 WeakPolarHBondContact O-CB 3.36Å; I272-R275 PolarHBondContact O-N 3.39Å; I272-L276 HydrophobicContact CG2-CD1 4.34Å; I272-L276 WeakPolarHBondContact O-CG 3.42Å; I272-L276 PolarHBondContact O-N 2.6Å
273	L	96.2	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-43.2	176	178.7	59.8	0	0	0	111.8	I176 W180 L269 G270 R275 L276 I277 A316 L317 Y339	I176-L273 HydrophobicContact CG2-CD1 3.63Å; W180-L273 HydrophobicContact CB-CD1 4.38Å; W180-L273 HydrophobicContact CD2-CB 4.43Å; W180-L273 HydrophobicContact CD2-CD1 4.24Å; W180-L273 HydrophobicContact CD2-CD2 3.95Å; W180-L273 HydrophobicContact CD2-CG 4.42Å; W180-L273 HydrophobicContact CE3-CD2 4.18Å; W180-L273 HydrophobicContact CG-CB 4.29Å; W180-L273 HydrophobicContact CG-CD1 4.09Å; W180-L273 HydrophobicContact CH2-CD2 4.02Å; W180-L273 HydrophobicContact CZ2-CD2 3.79Å; W180-L273 HydrophobicContact CZ3-CD2 4.21Å; L269-L273 PolarHBondContact O-N 3.3Å; G270-L273 PolarHBondContact O-N 3.27Å; L273-R275 VanDerWaalsContact C-N 3.29Å; L273-R275 PolarHBondContact O-N 2.92Å; L273-L276 PolarHBondContact O-N 2.71Å; L273-L276 VanDerWaalsContact O-N 3.1Å; L273-I277 HydrophobicContact CD1-CD1 3.73Å; L273-I277 HydrophobicContact CD1-CG1 4.14Å; L273-I277 HydrophobicContact CD2-CD1 4.37Å; L273-I277 HydrophobicContact CG-CD1 3.74Å; L273-I277 WeakPolarHBondContact O-CG1 3.39Å; L273-I277 PolarHBondContact O-N 3.36Å; L273-A316 HydrophobicContact CD2-CB 4.3Å; L273-L317 HydrophobicContact CB-CD2 4Å; L273-L317 HydrophobicContact CD2-CD2 3.91Å; L273-L317 HydrophobicContact CD2-CG 4.15Å; L273-L317 HydrophobicContact CG-CD2 3.86Å; L273-L317 HydrophobicContact CG-CG 4.37Å; L273-Y339 HydrophobicContact CD1-CE1 3.81Å; L273-Y339 HydrophobicContact CD2-CD1 4.31Å; L273-Y339 HydrophobicContact CD2-CE1 3.85Å; L273-Y339 HydrophobicContact CG-CE1 4.45Å
274	Y	94.9	Very high	93.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-44.5	177	-174.8	-77.7	0	0	0	110.6	G270 T271 I272 L276 I277 Y278 K280 P282 I303 A304 L305 L317 L321	G270-Y274 WeakPolarHBondContact O-CB 3.31Å; G270-Y274 PolarHBondContact O-N 2.86Å; T271-Y274 PolarHBondContact O-N 2.92Å; I272-Y274 VanDerWaalsContact C-N 3.32Å; I272-Y274 PolarHBondContact O-N 3.14Å; Y274-L276 PolarHBondContact O-N 2.91Å; Y274-I277 PolarHBondContact O-N 3.01Å; Y274-Y278 AromaticContact CD1-CD2 3.93Å; Y274-Y278 HydrophobicContact CD1-CD2 3.93Å; Y274-Y278 AromaticContact CD2-CD2 3.64Å; Y274-Y278 HydrophobicContact CD2-CD2 3.64Å; Y274-Y278 AromaticContact CD2-CE2 3.75Å; Y274-Y278 HydrophobicContact CD2-CE2 3.75Å; Y274-Y278 AromaticContact CE1-CD2 3.83Å; Y274-Y278 HydrophobicContact CE1-CD2 3.83Å; Y274-Y278 HydrophobicContact CE1-CG 4.38Å; Y274-Y278 AromaticContact CE2-CD2 3.55Å; Y274-Y278 HydrophobicContact CE2-CD2 3.55Å; Y274-Y278 AromaticContact CE2-CE2 3.65Å; Y274-Y278 HydrophobicContact CE2-CE2 3.65Å; Y274-Y278 AromaticContact CG-CD2 3.82Å; Y274-Y278 HydrophobicContact CG-CD2 3.82Å; Y274-Y278 HydrophobicContact CG-CE2 4.35Å; Y274-Y278 AromaticContact CZ-CD2 3.64Å; Y274-Y278 WeakPolarHBondContact O-CB 3.37Å; Y274-Y278 WeakPolarHBondContact O-CD2 3.4Å; Y274-Y278 PolarHBondContact O-N 2.83Å; Y274-K280 WeakPolarHBondContact CD1-O 3.21Å; Y274-K280 WeakPolarHBondContact CE1-O 3.08Å; Y274-P282 HydrophobicContact CD1-CG 3.84Å; Y274-P282 HydrophobicContact CD2-CG 4.05Å; Y274-P282 HydrophobicContact CE1-CB 4.4Å; Y274-P282 HydrophobicContact CE1-CG 4.12Å; Y274-P282 HydrophobicContact CE2-CG 4.29Å; Y274-P282 HydrophobicContact CG-CG 3.83Å; Y274-I303 HydrophobicContact CE2-CG2 4.23Å; Y274-A304 VanDerWaalsContact CE2-O 3.27Å; Y274-A304 WeakPolarHBondContact CE2-O 3.46Å; Y274-A304 PolarHBondContact OH-O 3.5Å; Y274-A304 VanDerWaalsContact OH-O 3.09Å; Y274-L305 HydrophobicContact CD2-CD2 4.04Å; Y274-L305 HydrophobicContact CE2-CD2 3.97Å; Y274-L317 HydrophobicContact CD2-CD1 4.16Å; Y274-L317 HydrophobicContact CD2-CD2 4.44Å; Y274-L321 HydrophobicContact CD2-CD1 4.03Å
275	R	92.5	Very high	93.4	Very high	84 Å²	84	26.8 Å²	26.8	32%	0.317	14%	0.138	S	C	.	.	H	α-helix	trans	-62.1	-39.6	174.9	-170.1	-177.5	-179.7	99.4	10.2	112.8	T271 I272 L273 G279 K280 L281	T271-R275 PolarHBondContact O-N 2.84Å; I272-R275 WeakPolarHBondContact O-CB 3.36Å; I272-R275 PolarHBondContact O-N 3.39Å; L273-R275 VanDerWaalsContact C-N 3.29Å; L273-R275 PolarHBondContact O-N 2.92Å; R275-G279 WeakPolarHBondContact O-CA 3.47Å; R275-G279 PolarHBondContact O-N 3.14Å; R275-K280 WeakPolarHBondContact CA-O 3.29Å; R275-L281 HydrophobicContact CB-CD2 3.97Å; R275-L281 HydrophobicContact CG-CD2 4.43Å
276	L	92	Very high	93	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.141	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-35.2	178.3	-72.7	173.1	0	0	0	112.9	F164 M171 I176 M183 I272 L273 Y274	F164-L276 HydrophobicContact CD1-CD2 3.88Å; F164-L276 HydrophobicContact CD2-CD2 3.84Å; F164-L276 HydrophobicContact CE1-CD2 3.8Å; F164-L276 HydrophobicContact CE2-CD1 4.26Å; F164-L276 HydrophobicContact CE2-CD2 3.75Å; F164-L276 HydrophobicContact CE2-CG 4.27Å; F164-L276 HydrophobicContact CG-CD2 3.91Å; F164-L276 HydrophobicContact CZ-CD1 4.04Å; F164-L276 HydrophobicContact CZ-CD2 3.73Å; F164-L276 HydrophobicContact CZ-CG 4.38Å; M171-L276 HydrophobicContact SD-CD2 4.47Å; I176-L276 HydrophobicContact CD1-CB 4.5Å; I176-L276 WeakPolarHBondContact CD1-O 3.45Å; I176-L276 HydrophobicContact CG1-CB 4.25Å; I176-L276 HydrophobicContact CG2-CB 3.83Å; I176-L276 HydrophobicContact CG2-CD1 4.21Å; M183-L276 HydrophobicContact CE-CD1 4.3Å; I272-L276 HydrophobicContact CG2-CD1 4.34Å; I272-L276 WeakPolarHBondContact O-CG 3.42Å; I272-L276 PolarHBondContact O-N 2.6Å; L273-L276 PolarHBondContact O-N 2.71Å; L273-L276 VanDerWaalsContact O-N 3.1Å; Y274-L276 PolarHBondContact O-N 2.91Å
277	I	91.2	Very high	92	Very high	29 Å²	29	32.4 Å²	32.4	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-80.6	-45.4	179.7	-65.9	164.7	0	0	0	111.7	I176 L273 Y274 T308 A313 L317	I176-I277 HydrophobicContact CG2-CG1 4.4Å; L273-I277 HydrophobicContact CD1-CD1 3.73Å; L273-I277 HydrophobicContact CD1-CG1 4.14Å; L273-I277 HydrophobicContact CD2-CD1 4.37Å; L273-I277 HydrophobicContact CG-CD1 3.74Å; L273-I277 WeakPolarHBondContact O-CG1 3.39Å; L273-I277 PolarHBondContact O-N 3.36Å; Y274-I277 PolarHBondContact O-N 3.01Å; I277-T308 HydrophobicContact CG2-CG2 3.98Å; I277-A313 HydrophobicContact CD1-CB 3.87Å; I277-L317 HydrophobicContact CD1-CD1 3.89Å; I277-L317 HydrophobicContact CD1-CG 4.36Å
278	Y	89.5	Confident	91.3	Very high	46 Å²	46	37.3 Å²	37.3	18%	0.18	21%	0.213	C	C	.	.	H	α-helix	trans	-107	-3.1	-169.2	-59.3	-65.8	0	0	0	114.7	Y274 K280 L305 P306 T308 L317	Y274-Y278 AromaticContact CD1-CD2 3.93Å; Y274-Y278 HydrophobicContact CD1-CD2 3.93Å; Y274-Y278 AromaticContact CD2-CD2 3.64Å; Y274-Y278 HydrophobicContact CD2-CD2 3.64Å; Y274-Y278 AromaticContact CD2-CE2 3.75Å; Y274-Y278 HydrophobicContact CD2-CE2 3.75Å; Y274-Y278 AromaticContact CE1-CD2 3.83Å; Y274-Y278 HydrophobicContact CE1-CD2 3.83Å; Y274-Y278 HydrophobicContact CE1-CG 4.38Å; Y274-Y278 AromaticContact CE2-CD2 3.55Å; Y274-Y278 HydrophobicContact CE2-CD2 3.55Å; Y274-Y278 AromaticContact CE2-CE2 3.65Å; Y274-Y278 HydrophobicContact CE2-CE2 3.65Å; Y274-Y278 AromaticContact CG-CD2 3.82Å; Y274-Y278 HydrophobicContact CG-CD2 3.82Å; Y274-Y278 HydrophobicContact CG-CE2 4.35Å; Y274-Y278 AromaticContact CZ-CD2 3.64Å; Y274-Y278 WeakPolarHBondContact O-CB 3.37Å; Y274-Y278 WeakPolarHBondContact O-CD2 3.4Å; Y274-Y278 PolarHBondContact O-N 2.83Å; Y278-K280 PolarHBondContact O-N 3.41Å; Y278-L305 HydrophobicContact CE2-CD2 4.41Å; Y278-P306 HydrophobicContact CD1-CG 4.35Å; Y278-P306 HydrophobicContact CE1-CB 3.93Å; Y278-P306 HydrophobicContact CE1-CG 3.96Å; Y278-P306 PolarHBondContact OH-O 2.82Å; Y278-T308 HydrophobicContact CD1-CG2 4.47Å; Y278-T308 HydrophobicContact CE1-CG2 3.49Å; Y278-T308 VanDerWaalsContact CE1-CG2 3.49Å; Y278-L317 HydrophobicContact CE2-CD1 3.67Å
279	G	87.8	Confident	90.8	Very high	59 Å²	59	39.8 Å²	39.8	61%	0.608	23%	0.226	S	C	*	.	S	Bend	trans	77.9	-10.6	179.7	0	0	0	0	0	115.8	R275	R275-G279 WeakPolarHBondContact O-CA 3.47Å; R275-G279 PolarHBondContact O-N 3.14Å
280	K	89.4	Confident	90.1	Very high	96 Å²	96	42.3 Å²	42.3	42%	0.417	25%	0.246	S	C	.	.	S	Bend	trans	-138.4	160.9	-176.7	62.4	179	172.9	178	0	110.4	Y274 R275 Y278 D284	Y274-K280 WeakPolarHBondContact CD1-O 3.21Å; Y274-K280 WeakPolarHBondContact CE1-O 3.08Å; R275-K280 WeakPolarHBondContact CA-O 3.29Å; Y278-K280 PolarHBondContact O-N 3.41Å; K280-D284 WeakPolarHBondContact CA-OD2 3.44Å; K280-D284 HydrophobicContact CB-CB 4.14Å
281	L	92.1	Very high	89.7	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.047	26%	0.258	C	S	.	.			trans	-77.3	165	171.7	-58	165.3	0	0	0	111.1	Y241 R275 F283 D284	Y241-L281 HydrophobicContact CD1-CD2 4.01Å; Y241-L281 HydrophobicContact CE1-CD1 4.48Å; Y241-L281 HydrophobicContact CE1-CD2 3.53Å; Y241-L281 HydrophobicContact CE2-CD1 4.14Å; R275-L281 HydrophobicContact CB-CD2 3.97Å; R275-L281 HydrophobicContact CG-CD2 4.43Å; L281-F283 VanDerWaalsContact C-N 3.29Å; L281-F283 PolarHBondContact O-N 3.13Å; L281-D284 WeakPolarHBondContact CB-OD1 3.49Å; L281-D284 PolarHBondContact N-OD2 2.97Å; L281-D284 PolarHBondContact O-N 3.45Å
282	P	93	Very high	89.3	Confident	3 Å²	3	45 Å²	45	2%	0.019	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-40.9	-175.6	-32.1	38.5	0	0	0	115.1	T271 Y274 H285 I303 L321	T271-P282 HydrophobicContact CG2-CG 4.34Å; Y274-P282 HydrophobicContact CD1-CG 3.84Å; Y274-P282 HydrophobicContact CD2-CG 4.05Å; Y274-P282 HydrophobicContact CE1-CB 4.4Å; Y274-P282 HydrophobicContact CE1-CG 4.12Å; Y274-P282 HydrophobicContact CE2-CG 4.29Å; Y274-P282 HydrophobicContact CG-CG 3.83Å; P282-H285 PolarHBondContact O-CE1 2.98Å; P282-H285 VanDerWaalsContact O-CE1 3.26Å; P282-H285 PolarHBondContact O-ND1 2.9Å; P282-I303 HydrophobicContact CB-CG2 4.2Å; P282-L321 HydrophobicContact CG-CD1 4.2Å
283	F	92.7	Very high	89	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.048	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	14.3	-173.3	-55.5	-66.1	0	0	0	114.3	L281 H285 I286 Q292 A295 T296 I301 I303	L281-F283 VanDerWaalsContact C-N 3.29Å; L281-F283 PolarHBondContact O-N 3.13Å; F283-H285 PolarHBondContact O-N 2.96Å; F283-I286 HydrophobicContact CB-CD1 4.28Å; F283-I286 HydrophobicContact CD1-CD1 4.11Å; F283-I286 WeakPolarHBondContact O-CB 3.47Å; F283-I286 PolarHBondContact O-N 3.43Å; F283-Q292 HydrophobicContact CB-CB 4.48Å; F283-Q292 HydrophobicContact CB-CG 4.37Å; F283-A295 HydrophobicContact CD1-CB 3.73Å; F283-A295 HydrophobicContact CE1-CB 3.98Å; F283-A295 HydrophobicContact CG-CB 4.1Å; F283-T296 VanDerWaalsContact CD2-OG1 3.25Å; F283-T296 WeakPolarHBondContact CD2-OG1 3.47Å; F283-T296 WeakPolarHBondContact CE2-OG1 3.47Å; F283-I301 HydrophobicContact CE1-CG2 4.06Å; F283-I303 HydrophobicContact CE1-CG1 4.39Å; F283-I303 HydrophobicContact CE2-CG1 4.33Å; F283-I303 HydrophobicContact CZ-CD1 4.35Å; F283-I303 HydrophobicContact CZ-CG1 3.65Å
284	D	86.9	Confident	88.6	Confident	63 Å²	63	51.6 Å²	51.6	34%	0.337	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.1	178.5	-83.8	-5	0	0	0	113.4	K280 L281 I286	K280-D284 WeakPolarHBondContact CA-OD2 3.44Å; K280-D284 HydrophobicContact CB-CB 4.14Å; L281-D284 WeakPolarHBondContact CB-OD1 3.49Å; L281-D284 PolarHBondContact N-OD2 2.97Å; L281-D284 PolarHBondContact O-N 3.45Å; D284-I286 PolarHBondContact O-N 2.93Å
285	H	87.6	Confident	88.5	Confident	125 Å²	125	51.4 Å²	51.4	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.2	175.9	64.8	-85	0	0	0	113.9	P282 F283	P282-H285 PolarHBondContact O-CE1 2.98Å; P282-H285 VanDerWaalsContact O-CE1 3.26Å; P282-H285 PolarHBondContact O-ND1 2.9Å; F283-H285 PolarHBondContact O-N 2.96Å
286	I	87.4	Confident	88.5	Confident	36 Å²	36	47.7 Å²	47.7	19%	0.185	28%	0.283	C	S	.	.	S	Bend	trans	-101.9	106.8	177.3	-57.4	179	0	0	0	107.5	F283 D284 N288 A291 Q292 A295	F283-I286 HydrophobicContact CB-CD1 4.28Å; F283-I286 HydrophobicContact CD1-CD1 4.11Å; F283-I286 WeakPolarHBondContact O-CB 3.47Å; F283-I286 PolarHBondContact O-N 3.43Å; D284-I286 PolarHBondContact O-N 2.93Å; I286-N288 PolarHBondContact O-N 2.99Å; I286-A291 HydrophobicContact CG2-CB 3.44Å; I286-A291 VanDerWaalsContact CG2-CB 3.44Å; I286-Q292 HydrophobicContact CB-CG 4Å; I286-Q292 HydrophobicContact CG2-CG 4.21Å; I286-Q292 WeakPolarHBondContact O-CG 3.37Å; I286-Q292 PolarHBondContact O-NE2 3.34Å; I286-A295 HydrophobicContact CD1-CB 3.41Å; I286-A295 VanDerWaalsContact CD1-CB 3.41Å
287	G	76.3	Confident	88.4	Confident	82 Å²	82	48 Å²	48	85%	0.845	29%	0.287	S	S	*	.			trans	-68	-26.8	-167.1	0	0	0	0	0	116.5
288	N	83.3	Confident	88.3	Confident	106 Å²	106	49.3 Å²	49.3	57%	0.567	29%	0.294	S	S	*	.	S	Bend	trans	-96.5	126.8	178.2	-176.9	-11.1	0	0	0	111	I286 A290 A291 Q292	I286-N288 PolarHBondContact O-N 2.99Å; N288-A290 VanDerWaalsContact C-N 3.25Å; N288-A290 PolarHBondContact O-N 3.15Å; N288-A290 PolarHBondContact OD1-N 2.93Å; N288-A291 HydrophobicContact CB-CB 4.32Å; N288-A291 CarbonylContact O-C 3.54Å; N288-A291 WeakPolarHBondContact O-CA 3.4Å; N288-A291 WeakPolarHBondContact O-CB 3.47Å; N288-A291 PolarHBondContact O-N 3.5Å; N288-Q292 PolarHBondContact O-N 2.95Å
289	I	84.8	Confident	88.3	Confident	54 Å²	54	52 Å²	52	28%	0.277	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-35.4	179.3	-53.7	170	0	0	0	112.1	A234 V239 A291 Q292 I293	A234-I289 HydrophobicContact CB-CB 4.15Å; A234-I289 HydrophobicContact CB-CD1 3.79Å; A234-I289 HydrophobicContact CB-CG2 3.63Å; V239-I289 HydrophobicContact CB-CG2 3.96Å; V239-I289 HydrophobicContact CG1-CG2 3.78Å; V239-I289 HydrophobicContact CG2-CG2 3.99Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 2.99Å; I289-Q292 WeakPolarHBondContact O-CB 3.47Å; I289-Q292 PolarHBondContact O-N 2.68Å; I289-I293 HydrophobicContact CG2-CD1 4.3Å; I289-I293 VanDerWaalsContact O-CG1 3.32Å; I289-I293 WeakPolarHBondContact O-CG1 2.95Å; I289-I293 PolarHBondContact O-N 3.14Å
290	A	84.9	Confident	88.4	Confident	52 Å²	52	58 Å²	58	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-38.2	174.2	0	0	0	0	0	112	N288 I293 M294	N288-A290 VanDerWaalsContact C-N 3.25Å; N288-A290 PolarHBondContact O-N 3.15Å; N288-A290 PolarHBondContact OD1-N 2.93Å; A290-I293 PolarHBondContact O-N 3.29Å; A290-M294 WeakPolarHBondContact O-CG 3.33Å; A290-M294 PolarHBondContact O-N 3.39Å
291	A	87.9	Confident	88.5	Confident	30 Å²	30	56.2 Å²	56.2	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-74.2	-32.4	174.9	0	0	0	0	0	112.3	I286 N288 I289 M294 A295	I286-A291 HydrophobicContact CG2-CB 3.44Å; I286-A291 VanDerWaalsContact CG2-CB 3.44Å; N288-A291 HydrophobicContact CB-CB 4.32Å; N288-A291 CarbonylContact O-C 3.54Å; N288-A291 WeakPolarHBondContact O-CA 3.4Å; N288-A291 WeakPolarHBondContact O-CB 3.47Å; N288-A291 PolarHBondContact O-N 3.5Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 2.99Å; A291-M294 HydrophobicContact CB-CE 4.27Å; A291-M294 PolarHBondContact O-N 2.73Å; A291-A295 VanDerWaalsContact O-CB 3.3Å; A291-A295 WeakPolarHBondContact O-CB 3.3Å; A291-A295 PolarHBondContact O-N 2.87Å
292	Q	89.9	Confident	88.5	Confident	27 Å²	27	60.9 Å²	60.9	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-43.2	169	-65.5	-179.4	-2.7	0	0	111.7	F283 I286 N288 I289 A295 T296	F283-Q292 HydrophobicContact CB-CB 4.48Å; F283-Q292 HydrophobicContact CB-CG 4.37Å; I286-Q292 HydrophobicContact CB-CG 4Å; I286-Q292 HydrophobicContact CG2-CG 4.21Å; I286-Q292 WeakPolarHBondContact O-CG 3.37Å; I286-Q292 PolarHBondContact O-NE2 3.34Å; N288-Q292 PolarHBondContact O-N 2.95Å; I289-Q292 WeakPolarHBondContact O-CB 3.47Å; I289-Q292 PolarHBondContact O-N 2.68Å; Q292-A295 PolarHBondContact O-N 3.32Å; Q292-T296 WeakPolarHBondContact O-CB 3.45Å; Q292-T296 PolarHBondContact O-N 3.19Å; Q292-T296 PolarHBondContact O-OG1 3.16Å; Q292-T296 VanDerWaalsContact O-OG1 3.13Å
293	I	88.4	Confident	88.5	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.087	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-49.2	175.6	-69.3	169.9	0	0	0	110.1	V230 V239 L247 I289 A290 A295 T296 C297	V230-I293 HydrophobicContact CG1-CD1 4.28Å; V239-I293 HydrophobicContact CG1-CD1 4.08Å; V239-I293 HydrophobicContact CG1-CG1 3.51Å; L247-I293 HydrophobicContact CB-CG2 4.34Å; L247-I293 HydrophobicContact CD1-CG1 4.36Å; L247-I293 HydrophobicContact CD1-CG2 4.29Å; L247-I293 HydrophobicContact CD2-CD1 4.47Å; L247-I293 HydrophobicContact CD2-CG1 4.11Å; L247-I293 HydrophobicContact CD2-CG2 4.5Å; I289-I293 HydrophobicContact CG2-CD1 4.3Å; I289-I293 VanDerWaalsContact O-CG1 3.32Å; I289-I293 WeakPolarHBondContact O-CG1 2.95Å; I289-I293 PolarHBondContact O-N 3.14Å; A290-I293 PolarHBondContact O-N 3.29Å; I293-A295 VanDerWaalsContact C-N 3.34Å; I293-A295 PolarHBondContact O-N 3.18Å; I293-T296 PolarHBondContact O-N 3.49Å; I293-C297 PolarHBondContact O-N 2.97Å; I293-C297 PolarHBondContact O-SG 2.9Å
294	M	89	Confident	88.5	Confident	123 Å²	123	64.3 Å²	64.3	61%	0.606	38%	0.378	S	S	*	.	H	α-helix	trans	-59.7	-42.4	175.9	-71	-171.2	-66.4	0	0	112.1	A290 A291 C297 N298	A290-M294 WeakPolarHBondContact O-CG 3.33Å; A290-M294 PolarHBondContact O-N 3.39Å; A291-M294 HydrophobicContact CB-CE 4.27Å; A291-M294 PolarHBondContact O-N 2.73Å; M294-C297 PolarHBondContact O-N 3.32Å; M294-N298 WeakPolarHBondContact O-CB 3.29Å; M294-N298 PolarHBondContact O-N 3.48Å
295	A	92.2	Very high	88.6	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-65.5	-42	177.7	0	0	0	0	0	112.8	F283 I286 A291 Q292 I293 C297 N298 I301 R323	F283-A295 HydrophobicContact CD1-CB 3.73Å; F283-A295 HydrophobicContact CE1-CB 3.98Å; F283-A295 HydrophobicContact CG-CB 4.1Å; I286-A295 HydrophobicContact CD1-CB 3.41Å; I286-A295 VanDerWaalsContact CD1-CB 3.41Å; A291-A295 VanDerWaalsContact O-CB 3.3Å; A291-A295 WeakPolarHBondContact O-CB 3.3Å; A291-A295 PolarHBondContact O-N 2.87Å; Q292-A295 PolarHBondContact O-N 3.32Å; I293-A295 VanDerWaalsContact C-N 3.34Å; I293-A295 PolarHBondContact O-N 3.18Å; A295-C297 VanDerWaalsContact C-N 3.33Å; A295-C297 PolarHBondContact O-N 3.08Å; A295-N298 PolarHBondContact O-N 3.42Å; A295-I301 HydrophobicContact CB-CD1 4.04Å; A295-I301 HydrophobicContact CB-CG2 4.22Å; A295-R323 PolarHBondContact O-NH2 3.29Å
296	T	91.8	Very high	88.4	Confident	6 Å²	6	60.4 Å²	60.4	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-58	-45.4	173	-67.3	0	0	0	0	111.2	P244 L247 W267 F283 Q292 I293 R323	P244-T296 HydrophobicContact CG-CG2 3.93Å; L247-T296 HydrophobicContact CD1-CG2 3.6Å; W267-T296 HydrophobicContact CH2-CG2 4.37Å; W267-T296 HydrophobicContact CZ2-CG2 3.75Å; F283-T296 VanDerWaalsContact CD2-OG1 3.25Å; F283-T296 WeakPolarHBondContact CD2-OG1 3.47Å; F283-T296 WeakPolarHBondContact CE2-OG1 3.47Å; Q292-T296 WeakPolarHBondContact O-CB 3.45Å; Q292-T296 PolarHBondContact O-N 3.19Å; Q292-T296 PolarHBondContact O-OG1 3.16Å; Q292-T296 VanDerWaalsContact O-OG1 3.13Å; I293-T296 PolarHBondContact O-N 3.49Å; T296-R323 PolarHBondContact O-NE 3.29Å
297	C	89.8	Confident	87.9	Confident	34 Å²	34	65 Å²	65	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-77.7	-31	-176.8	-56.7	0	0	0	0	113.6	C248 I293 M294 A295 P299	C248-C297 VanDerWaalsContact SG-SG 3.68Å; I293-C297 PolarHBondContact O-N 2.97Å; I293-C297 PolarHBondContact O-SG 2.9Å; M294-C297 PolarHBondContact O-N 3.32Å; A295-C297 VanDerWaalsContact C-N 3.33Å; A295-C297 PolarHBondContact O-N 3.08Å; C297-P299 WeakPolarHBondContact O-CD 3.35Å
298	N	90.2	Very high	87.8	Confident	56 Å²	56	63 Å²	63	30%	0.299	36%	0.361	S	S	.	.			trans	-81.4	113.7	-172.2	-176.6	-2.5	0	0	0	112.8	M294 A295 K300 I301 R323	M294-N298 WeakPolarHBondContact O-CB 3.29Å; M294-N298 PolarHBondContact O-N 3.48Å; A295-N298 PolarHBondContact O-N 3.42Å; N298-K300 PolarHBondContact O-N 3.43Å; N298-K300 VanDerWaalsContact OD1-CB 3.26Å; N298-K300 WeakPolarHBondContact OD1-CB 3.49Å; N298-K300 WeakPolarHBondContact OD1-CG 3.48Å; N298-K300 PolarHBondContact OD1-N 3.41Å; N298-I301 HydrophobicContact CB-CD1 4.25Å; N298-I301 HydrophobicContact CB-CG1 4.49Å; N298-I301 PolarHBondContact O-N 3.07Å; N298-R323 PolarHBondContact O-NE 2.86Å; N298-R323 PolarHBondContact O-NH2 2.87Å; N298-R323 VanDerWaalsContact O-NH2 3.08Å
299	P	89.5	Confident	87.2	Confident	102 Å²	102	62.9 Å²	62.9	66%	0.662	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.2	178.7	29.1	-35.8	0	0	0	113.9	C297 I301	C297-P299 WeakPolarHBondContact O-CD 3.35Å; P299-I301 PolarHBondContact O-N 3.21Å
300	K	90.2	Very high	86.7	Confident	185 Å²	185	64.2 Å²	64.2	80%	0.804	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17	176.9	-57.4	-178.5	178.4	-179.1	0	113.1	N298 P302	N298-K300 PolarHBondContact O-N 3.43Å; N298-K300 VanDerWaalsContact OD1-CB 3.26Å; N298-K300 WeakPolarHBondContact OD1-CB 3.49Å; N298-K300 WeakPolarHBondContact OD1-CG 3.48Å; N298-K300 PolarHBondContact OD1-N 3.41Å; K300-P302 WeakPolarHBondContact O-CD 3.37Å
301	I	90.9	Very high	86.3	Confident	59 Å²	59	66.3 Å²	66.3	30%	0.303	38%	0.38	S	S	.	.	S	Bend	trans	-96.1	107	176.2	-64.6	170.5	0	0	0	107.4	F283 A295 N298 P299 R323	F283-I301 HydrophobicContact CE1-CG2 4.06Å; A295-I301 HydrophobicContact CB-CD1 4.04Å; A295-I301 HydrophobicContact CB-CG2 4.22Å; N298-I301 HydrophobicContact CB-CD1 4.25Å; N298-I301 HydrophobicContact CB-CG1 4.49Å; N298-I301 PolarHBondContact O-N 3.07Å; P299-I301 PolarHBondContact O-N 3.21Å; I301-R323 VanDerWaalsContact O-CZ 3.24Å; I301-R323 PolarHBondContact O-NH1 3.25Å; I301-R323 PolarHBondContact O-NH2 2.89Å
302	P	91.2	Very high	86.4	Confident	106 Å²	106	69 Å²	69	69%	0.688	39%	0.387	S	S	*	.			trans	-67.9	148.2	-178.6	28.6	-34.6	0	0	0	111	K300 A304	K300-P302 WeakPolarHBondContact O-CD 3.37Å; P302-A304 PolarHBondContact O-N 3.47Å
303	I	93.9	Very high	86.5	Confident	29 Å²	29	67.8 Å²	67.8	15%	0.149	38%	0.381	C	S	.	.			trans	-80.6	114.7	165.9	-66.7	172.7	0	0	0	106.5	W267 Y274 P282 F283 L305 L321	W267-I303 HydrophobicContact CH2-CD1 3.82Å; W267-I303 HydrophobicContact CZ3-CD1 4.4Å; Y274-I303 HydrophobicContact CE2-CG2 4.23Å; P282-I303 HydrophobicContact CB-CG2 4.2Å; F283-I303 HydrophobicContact CE1-CG1 4.39Å; F283-I303 HydrophobicContact CE2-CG1 4.33Å; F283-I303 HydrophobicContact CZ-CD1 4.35Å; F283-I303 HydrophobicContact CZ-CG1 3.65Å; I303-L305 HydrophobicContact CG2-CD2 4.29Å; I303-L305 HydrophobicContact CG2-CG 4.42Å; I303-L305 PolarHBondContact O-N 3.05Å; I303-L321 HydrophobicContact CD1-CB 3.81Å; I303-L321 HydrophobicContact CD1-CD1 4.46Å; I303-L321 HydrophobicContact CG2-CD1 4.12Å
304	A	91.5	Very high	86.7	Confident	57 Å²	57	71.2 Å²	71.2	47%	0.471	39%	0.393	S	S	.	.			trans	-64.9	118.8	176.9	0	0	0	0	0	109.4	Y274 P302 P306	Y274-A304 VanDerWaalsContact CE2-O 3.27Å; Y274-A304 WeakPolarHBondContact CE2-O 3.46Å; Y274-A304 PolarHBondContact OH-O 3.5Å; Y274-A304 VanDerWaalsContact OH-O 3.09Å; P302-A304 PolarHBondContact O-N 3.47Å; A304-P306 VanDerWaalsContact C-CD 3.44Å; A304-P306 VanDerWaalsContact O-CD 3.3Å; A304-P306 WeakPolarHBondContact O-CD 3.25Å
305	L	89	Confident	86.9	Confident	40 Å²	40	69.1 Å²	69.1	21%	0.209	38%	0.384	C	S	.	.			trans	-114.7	79	171.1	-65.9	174.3	0	0	0	108.4	Y274 Y278 I303 R314 L317 A318	Y274-L305 HydrophobicContact CD2-CD2 4.04Å; Y274-L305 HydrophobicContact CE2-CD2 3.97Å; Y278-L305 HydrophobicContact CE2-CD2 4.41Å; I303-L305 HydrophobicContact CG2-CD2 4.29Å; I303-L305 HydrophobicContact CG2-CG 4.42Å; I303-L305 PolarHBondContact O-N 3.05Å; L305-R314 PolarHBondContact O-NE 3.1Å; L305-R314 PolarHBondContact O-NH2 2.94Å; L305-L317 HydrophobicContact CD2-CB 3.83Å; L305-L317 HydrophobicContact CD2-CD1 3.79Å; L305-L317 HydrophobicContact CD2-CG 4.44Å; L305-A318 HydrophobicContact CD1-CB 4.39Å
306	P	84.2	Confident	87.1	Confident	67 Å²	67	69.1 Å²	69.1	44%	0.435	38%	0.384	S	S	.	.			trans	-51.9	148.7	178.2	-24.9	32.1	0	0	0	111.9	Y278 A304 T308	Y278-P306 HydrophobicContact CD1-CG 4.35Å; Y278-P306 HydrophobicContact CE1-CB 3.93Å; Y278-P306 HydrophobicContact CE1-CG 3.96Å; Y278-P306 PolarHBondContact OH-O 2.82Å; A304-P306 VanDerWaalsContact C-CD 3.44Å; A304-P306 VanDerWaalsContact O-CD 3.3Å; A304-P306 WeakPolarHBondContact O-CD 3.25Å; P306-T308 PolarHBondContact O-N 3.34Å
307	D	77.2	Confident	87.3	Confident	133 Å²	133	68.8 Å²	68.8	71%	0.711	38%	0.382	S	S	*	.			trans	-57	138.5	172.9	-63.3	-43.7	0	0	0	110.1	R314	D307-R314 IonicContact OD1-CZ 2.65Å; D307-R314 IonicContact OD1-NE 2.68Å; D307-R314 IonicContact OD1-NH1 2.9Å; D307-R314 PolarHBondContact OD1-NH1 3.02Å; D307-R314 IonicContact OD1-NH2 2.68Å; D307-R314 PolarHBondContact OD1-NH2 3.24Å; D307-R314 VanDerWaalsContact OD1-NH2 3.09Å
308	T	73.2	Confident	87.5	Confident	38 Å²	38	69.4 Å²	69.4	23%	0.233	39%	0.39	C	S	.	.			trans	-134.9	160.6	174.6	70.8	0	0	0	0	107.6	I277 Y278 P306 Y310	I277-T308 HydrophobicContact CG2-CG2 3.98Å; Y278-T308 HydrophobicContact CD1-CG2 4.47Å; Y278-T308 HydrophobicContact CE1-CG2 3.49Å; Y278-T308 VanDerWaalsContact CE1-CG2 3.49Å; P306-T308 PolarHBondContact O-N 3.34Å; T308-Y310 PolarHBondContact O-N 3.1Å; T308-Y310 PolarHBondContact OG1-N 2.91Å; T308-Y310 PolarHBondContact OG1-O 3.25Å
309	S	70.6	Confident	87.8	Confident	105 Å²	105	68.5 Å²	68.5	73%	0.734	39%	0.387	S	S	*	.	S	Bend	trans	-64.2	6.9	172.6	-42.6	0	0	0	0	114.1
310	Y	74.7	Confident	88.2	Confident	81 Å²	81	63.7 Å²	63.7	32%	0.318	36%	0.356	S	S	.	.			trans	-126.2	83.1	-172.8	-42.7	-59	0	0	0	110	P173 T308 F312 A313	P173-Y310 HydrophobicContact CB-CD1 4.19Å; P173-Y310 HydrophobicContact CB-CE1 3.97Å; P173-Y310 HydrophobicContact CG-CD1 3.98Å; P173-Y310 HydrophobicContact CG-CE1 3.27Å; P173-Y310 HydrophobicContact CG-CE2 3.87Å; P173-Y310 VanDerWaalsContact CG-OH 3.29Å; P173-Y310 WeakPolarHBondContact CG-OH 3.29Å; T308-Y310 PolarHBondContact O-N 3.1Å; T308-Y310 PolarHBondContact OG1-N 2.91Å; T308-Y310 PolarHBondContact OG1-O 3.25Å; Y310-F312 VanDerWaalsContact C-N 3.34Å; Y310-F312 PolarHBondContact O-N 2.68Å; Y310-A313 WeakPolarHBondContact O-CB 3.41Å; Y310-A313 PolarHBondContact O-N 3.12Å
311	P	76.4	Confident	88.5	Confident	96 Å²	96	55.4 Å²	55.4	62%	0.623	32%	0.32	S	S	*	.	H	α-helix	trans	-54.3	-47.4	-174.9	-27.5	35.3	0	0	0	113	A313 R314 D315	P311-A313 PolarHBondContact O-N 2.8Å; P311-R314 PolarHBondContact O-N 2.91Å; P311-R314 VanDerWaalsContact O-N 3.16Å; P311-D315 PolarHBondContact O-N 2.87Å
312	F	90.7	Very high	88.7	Confident	88 Å²	88	55.9 Å²	55.9	39%	0.386	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-21	178.7	-57.2	-59.7	0	0	0	114	Y310 D315 A316 P338 Y339	Y310-F312 VanDerWaalsContact C-N 3.34Å; Y310-F312 PolarHBondContact O-N 2.68Å; F312-D315 PolarHBondContact O-N 2.82Å; F312-A316 WeakPolarHBondContact O-CB 3.2Å; F312-A316 PolarHBondContact O-N 3.21Å; F312-P338 HydrophobicContact CB-CB 4.49Å; F312-P338 HydrophobicContact CD1-CB 3.51Å; F312-P338 HydrophobicContact CD1-CG 4.38Å; F312-P338 HydrophobicContact CD2-CB 4.3Å; F312-P338 HydrophobicContact CE1-CB 3.62Å; F312-P338 HydrophobicContact CE1-CG 4.37Å; F312-P338 HydrophobicContact CE2-CB 4.39Å; F312-P338 HydrophobicContact CG-CB 3.87Å; F312-P338 HydrophobicContact CZ-CB 4.07Å; F312-Y339 HydrophobicContact CB-CD2 4.15Å; F312-Y339 HydrophobicContact CB-CG 4.38Å; F312-Y339 WeakPolarHBondContact O-CB 3.31Å
313	A	92	Very high	88.8	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-38.2	176.5	0	0	0	0	0	111.4	I277 Y310 P311 L317 Y339	I277-A313 HydrophobicContact CD1-CB 3.87Å; Y310-A313 WeakPolarHBondContact O-CB 3.41Å; Y310-A313 PolarHBondContact O-N 3.12Å; P311-A313 PolarHBondContact O-N 2.8Å; A313-L317 WeakPolarHBondContact O-CB 3.05Å; A313-L317 VanDerWaalsContact O-CG 3.26Å; A313-L317 WeakPolarHBondContact O-CG 3.11Å; A313-L317 PolarHBondContact O-N 2.85Å; A313-Y339 HydrophobicContact CB-CD2 3.79Å; A313-Y339 HydrophobicContact CB-CE1 4.38Å; A313-Y339 HydrophobicContact CB-CE2 3.37Å; A313-Y339 HydrophobicContact CB-CG 4.48Å
314	R	92.1	Very high	88.7	Confident	88 Å²	88	54.9 Å²	54.9	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-40.3	176.1	-62.8	178.9	73.8	-166.2	17.2	111.4	L305 D307 P311 L317 A318	L305-R314 PolarHBondContact O-NE 3.1Å; L305-R314 PolarHBondContact O-NH2 2.94Å; D307-R314 IonicContact OD1-CZ 2.65Å; D307-R314 IonicContact OD1-NE 2.68Å; D307-R314 IonicContact OD1-NH1 2.9Å; D307-R314 PolarHBondContact OD1-NH1 3.02Å; D307-R314 IonicContact OD1-NH2 2.68Å; D307-R314 PolarHBondContact OD1-NH2 3.24Å; D307-R314 VanDerWaalsContact OD1-NH2 3.09Å; P311-R314 PolarHBondContact O-N 2.91Å; P311-R314 VanDerWaalsContact O-N 3.16Å; R314-L317 PolarHBondContact O-N 3.33Å; R314-A318 WeakPolarHBondContact O-CB 3.01Å; R314-A318 PolarHBondContact O-N 3.29Å
315	D	93.6	Very high	88.7	Confident	80 Å²	80	52.5 Å²	52.5	43%	0.428	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-46.3	176.6	-172.2	39.5	0	0	0	111.9	P311 F312 L317 A318 C319 H337	P311-D315 PolarHBondContact O-N 2.87Å; F312-D315 PolarHBondContact O-N 2.82Å; D315-L317 VanDerWaalsContact C-N 3.31Å; D315-L317 PolarHBondContact O-N 3.11Å; D315-A318 PolarHBondContact O-N 2.94Å; D315-A318 VanDerWaalsContact O-N 3.17Å; D315-C319 WeakPolarHBondContact O-CB 3.29Å; D315-C319 PolarHBondContact O-N 3.49Å; D315-C319 PolarHBondContact O-SG 3.24Å; D315-C319 VanDerWaalsContact O-SG 3.34Å; D315-H337 IonicContact OD2-CE1 2.77Å; D315-H337 PolarHBondContact OD2-CE1 3.31Å; D315-H337 IonicContact OD2-NE2 3.72Å; D315-H337 PolarHBondContact OD2-NE2 3.2Å
316	A	96.3	Very high	88.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-42.5	173.2	0	0	0	0	0	111.9	W180 L273 F312 C319 C320 H337 Y339	W180-A316 HydrophobicContact CH2-CB 4.16Å; W180-A316 HydrophobicContact CZ3-CB 4.49Å; L273-A316 HydrophobicContact CD2-CB 4.3Å; F312-A316 WeakPolarHBondContact O-CB 3.2Å; F312-A316 PolarHBondContact O-N 3.21Å; A316-C319 WeakPolarHBondContact O-CB 3.36Å; A316-C319 PolarHBondContact O-N 3.45Å; A316-C320 PolarHBondContact O-N 3.47Å; A316-C320 VanDerWaalsContact O-N 3.07Å; A316-C320 PolarHBondContact O-SG 2.89Å; A316-H337 PolarHBondContact N-CE1 2.96Å; A316-Y339 HydrophobicContact CB-CD1 3.83Å; A316-Y339 HydrophobicContact CB-CG 4.15Å
317	L	96.7	Very high	89.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-42.1	175.3	-76	175.2	0	0	0	112.7	G270 L273 Y274 I277 Y278 L305 A313 R314 D315 C319 C320 L321	G270-L317 WeakPolarHBondContact O-CD2 3.19Å; L273-L317 HydrophobicContact CB-CD2 4Å; L273-L317 HydrophobicContact CD2-CD2 3.91Å; L273-L317 HydrophobicContact CD2-CG 4.15Å; L273-L317 HydrophobicContact CG-CD2 3.86Å; L273-L317 HydrophobicContact CG-CG 4.37Å; Y274-L317 HydrophobicContact CD2-CD1 4.16Å; Y274-L317 HydrophobicContact CD2-CD2 4.44Å; I277-L317 HydrophobicContact CD1-CD1 3.89Å; I277-L317 HydrophobicContact CD1-CG 4.36Å; Y278-L317 HydrophobicContact CE2-CD1 3.67Å; L305-L317 HydrophobicContact CD2-CB 3.83Å; L305-L317 HydrophobicContact CD2-CD1 3.79Å; L305-L317 HydrophobicContact CD2-CG 4.44Å; A313-L317 WeakPolarHBondContact O-CB 3.05Å; A313-L317 VanDerWaalsContact O-CG 3.26Å; A313-L317 WeakPolarHBondContact O-CG 3.11Å; A313-L317 PolarHBondContact O-N 2.85Å; R314-L317 PolarHBondContact O-N 3.33Å; D315-L317 VanDerWaalsContact C-N 3.31Å; D315-L317 PolarHBondContact O-N 3.11Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.01Å; L317-C320 PolarHBondContact O-N 3Å; L317-L321 HydrophobicContact CD2-CD1 4.25Å; L317-L321 VanDerWaalsContact O-CB 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 WeakPolarHBondContact O-CG 3.36Å; L317-L321 PolarHBondContact O-N 2.91Å
318	A	94.3	Very high	90.3	Very high	47 Å²	47	59.3 Å²	59.3	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-41.3	175.5	0	0	0	0	0	111.6	L305 R314 D315 C320 H322	L305-A318 HydrophobicContact CD1-CB 4.39Å; R314-A318 WeakPolarHBondContact O-CB 3.01Å; R314-A318 PolarHBondContact O-N 3.29Å; D315-A318 PolarHBondContact O-N 2.94Å; D315-A318 VanDerWaalsContact O-N 3.17Å; A318-C320 VanDerWaalsContact C-N 3.31Å; A318-C320 PolarHBondContact O-N 2.83Å; A318-H322 PolarHBondContact O-N 3.45Å
319	C	96.4	Very high	91.4	Very high	37 Å²	37	58.5 Å²	58.5	25%	0.25	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-33.4	174.4	-74.7	0	0	0	0	113.5	D315 A316 L317 R328 S329 L334	D315-C319 WeakPolarHBondContact O-CB 3.29Å; D315-C319 PolarHBondContact O-N 3.49Å; D315-C319 PolarHBondContact O-SG 3.24Å; D315-C319 VanDerWaalsContact O-SG 3.34Å; A316-C319 WeakPolarHBondContact O-CB 3.36Å; A316-C319 PolarHBondContact O-N 3.45Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.01Å; C319-R328 WeakPolarHBondContact O-CG 3.37Å; C319-S329 PolarHBondContact O-N 2.91Å; C319-L334 HydrophobicContact CB-CD2 4.06Å
320	C	97.7	Very high	92.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-86.6	-39.8	179.2	-61.4	0	0	0	0	113.6	V266 G270 A316 L317 A318 H322 R328 L334	V266-C320 HydrophobicContact CG1-CB 4.26Å; G270-C320 VanDerWaalsContact CA-CB 3.48Å; A316-C320 PolarHBondContact O-N 3.47Å; A316-C320 VanDerWaalsContact O-N 3.07Å; A316-C320 PolarHBondContact O-SG 2.89Å; L317-C320 PolarHBondContact O-N 3Å; A318-C320 VanDerWaalsContact C-N 3.31Å; A318-C320 PolarHBondContact O-N 2.83Å; C320-H322 VanDerWaalsContact C-N 3.31Å; C320-H322 PolarHBondContact O-N 3.18Å; C320-R328 WeakPolarHBondContact O-CD 3.2Å; C320-R328 WeakPolarHBondContact O-CG 3.02Å; C320-L334 WeakPolarHBondContact SG-CD1 3.23Å
321	L	96.8	Very high	93.8	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.058	25%	0.251	C	S	.	.	S	Bend	trans	-95.2	20.7	-171.4	-60.1	179.7	0	0	0	113	W267 T271 Y274 P282 I303 L317 R323	W267-L321 HydrophobicContact CD2-CD2 4.05Å; W267-L321 HydrophobicContact CE3-CD2 4.27Å; W267-L321 HydrophobicContact CG-CD2 4.46Å; W267-L321 HydrophobicContact CZ2-CD2 4.49Å; W267-L321 HydrophobicContact CZ3-CB 4.41Å; W267-L321 WeakPolarHBondContact CZ3-O 3.32Å; T271-L321 HydrophobicContact CG2-CD2 3.74Å; Y274-L321 HydrophobicContact CD2-CD1 4.03Å; P282-L321 HydrophobicContact CG-CD1 4.2Å; I303-L321 HydrophobicContact CD1-CB 3.81Å; I303-L321 HydrophobicContact CD1-CD1 4.46Å; I303-L321 HydrophobicContact CG2-CD1 4.12Å; L317-L321 HydrophobicContact CD2-CD1 4.25Å; L317-L321 VanDerWaalsContact O-CB 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 WeakPolarHBondContact O-CG 3.36Å; L317-L321 PolarHBondContact O-N 2.91Å; L321-R323 PolarHBondContact O-N 2.74Å
322	H	94.9	Very high	94.7	Very high	69 Å²	69	50.8 Å²	50.8	32%	0.319	24%	0.24	S	C	.	.			trans	-69.5	121.5	171.1	-164.4	-66.9	0	0	0	110.5	A318 C320 N324 K327 R328	A318-H322 PolarHBondContact O-N 3.45Å; C320-H322 VanDerWaalsContact C-N 3.31Å; C320-H322 PolarHBondContact O-N 3.18Å; H322-N324 PolarHBondContact ND1-N 3.25Å; H322-N324 PolarHBondContact ND1-O 3.39Å; H322-K327 VanDerWaalsContact CE1-CD 3.5Å; H322-K327 WeakPolarHBondContact CE1-CD 3.3Å; H322-K327 WeakPolarHBondContact ND1-CB 3.4Å; H322-R328 HydrophobicContact CB-CB 4.29Å; H322-R328 PolarHBondContact O-NE 3.26Å; H322-R328 PolarHBondContact O-NH2 3.1Å; H322-R328 VanDerWaalsContact O-NH2 3.14Å
323	R	93.1	Very high	95	Very high	43 Å²	43	51 Å²	51	16%	0.162	25%	0.246	C	C	.	.	S	Bend	trans	-61	-49	-175.4	-72.7	-173.7	170.1	99.5	-5.3	113.5	P244 W267 A295 T296 N298 I301 L321 P325 R328	P244-R323 HydrophobicContact CG-CB 4.24Å; P244-R323 HydrophobicContact CG-CG 4.01Å; W267-R323 HydrophobicContact CH2-CG 4.16Å; W267-R323 HydrophobicContact CZ3-CG 4.05Å; A295-R323 PolarHBondContact O-NH2 3.29Å; T296-R323 PolarHBondContact O-NE 3.29Å; N298-R323 PolarHBondContact O-NE 2.86Å; N298-R323 PolarHBondContact O-NH2 2.87Å; N298-R323 VanDerWaalsContact O-NH2 3.08Å; I301-R323 VanDerWaalsContact O-CZ 3.24Å; I301-R323 PolarHBondContact O-NH1 3.25Å; I301-R323 PolarHBondContact O-NH2 2.89Å; L321-R323 PolarHBondContact O-N 2.74Å; R323-P325 VanDerWaalsContact O-CD 3.27Å; R323-P325 WeakPolarHBondContact O-CD 3.23Å; R323-R328 PolarHBondContact O-NH2 2.87Å
324	N	91.1	Very high	95.2	Very high	71 Å²	71	51 Å²	51	38%	0.38	25%	0.245	S	C	.	.	S	Bend	trans	-68.1	118.2	171.9	-179.2	-25.6	0	0	0	109.9	H322 R326 K327 R328	H322-N324 PolarHBondContact ND1-N 3.25Å; H322-N324 PolarHBondContact ND1-O 3.39Å; N324-R326 VanDerWaalsContact C-N 3.29Å; N324-R326 PolarHBondContact O-N 3.24Å; N324-R326 WeakPolarHBondContact OD1-CB 3.25Å; N324-R326 PolarHBondContact OD1-N 3.2Å; N324-K327 PolarHBondContact O-N 3.34Å; N324-R328 PolarHBondContact O-N 2.8Å
325	P	92	Very high	95.4	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.045	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-64.6	-27.4	-177.1	-24.4	36.6	0	0	0	114.5	E245 I258 K263 R323 K327 R328	E245-P325 HydrophobicContact CB-CG 4.3Å; E245-P325 HydrophobicContact CG-CG 3.91Å; E245-P325 WeakPolarHBondContact OE2-CG 3.34Å; I258-P325 HydrophobicContact CG2-CG 3.83Å; K263-P325 HydrophobicContact CB-CB 3.85Å; K263-P325 HydrophobicContact CG-CB 4.29Å; K263-P325 WeakPolarHBondContact CG-O 3.19Å; R323-P325 VanDerWaalsContact O-CD 3.27Å; R323-P325 WeakPolarHBondContact O-CD 3.23Å; P325-K327 PolarHBondContact O-N 2.94Å; P325-R328 WeakPolarHBondContact O-CB 3.5Å; P325-R328 PolarHBondContact O-N 2.97Å
326	R	91.8	Very high	95.5	Very high	231 Å²	231	48.1 Å²	48.1	87%	0.872	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-65.6	-28	178.3	-58.9	-173.7	-175.3	175.6	4.7	112.4	N324	N324-R326 VanDerWaalsContact C-N 3.29Å; N324-R326 PolarHBondContact O-N 3.24Å; N324-R326 WeakPolarHBondContact OD1-CB 3.25Å; N324-R326 PolarHBondContact OD1-N 3.2Å
327	K	94.4	Very high	95.5	Very high	150 Å²	150	48.9 Å²	48.9	65%	0.652	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-94.3	-9.6	176.9	-70.3	-175.5	173.4	-170.9	0	113.5	H322 N324 P325	H322-K327 VanDerWaalsContact CE1-CD 3.5Å; H322-K327 WeakPolarHBondContact CE1-CD 3.3Å; H322-K327 WeakPolarHBondContact ND1-CB 3.4Å; N324-K327 PolarHBondContact O-N 3.34Å; P325-K327 PolarHBondContact O-N 2.94Å
328	R	96.5	Very high	95.4	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.011	26%	0.263	C	S	.	.	S	Bend	trans	-74.1	145.8	176.1	-160.7	-178.4	-62.1	154.4	4	109.1	E245 K263 V266 C319 C320 H322 R323 N324 P325	E245-R328 IonicContact OE1-CZ 3.19Å; E245-R328 IonicContact OE1-NH1 2.62Å; E245-R328 PolarHBondContact OE1-NH1 3.31Å; E245-R328 IonicContact OE1-NH2 3.74Å; E245-R328 IonicContact OE2-CZ 2.76Å; E245-R328 IonicContact OE2-NH1 2.93Å; E245-R328 PolarHBondContact OE2-NH1 3.08Å; E245-R328 IonicContact OE2-NH2 2.94Å; E245-R328 PolarHBondContact OE2-NH2 2.93Å; K263-R328 HydrophobicContact CD-CB 4.42Å; K263-R328 PolarHBondContact NZ-O 3.34Å; K263-R328 WeakPolarHBondContact O-CD 3.4Å; K263-R328 PolarHBondContact O-NH1 2.92Å; V266-R328 HydrophobicContact CB-CG 4.48Å; V266-R328 HydrophobicContact CG1-CG 3.91Å; C319-R328 WeakPolarHBondContact O-CG 3.37Å; C320-R328 WeakPolarHBondContact O-CD 3.2Å; C320-R328 WeakPolarHBondContact O-CG 3.02Å; H322-R328 HydrophobicContact CB-CB 4.29Å; H322-R328 PolarHBondContact O-NE 3.26Å; H322-R328 PolarHBondContact O-NH2 3.1Å; H322-R328 VanDerWaalsContact O-NH2 3.14Å; R323-R328 PolarHBondContact O-NH2 2.87Å; N324-R328 PolarHBondContact O-N 2.8Å; P325-R328 WeakPolarHBondContact O-CB 3.5Å; P325-R328 PolarHBondContact O-N 2.97Å
329	S	97.3	Very high	95.4	Very high	20 Å²	20	49.4 Å²	49.4	14%	0.14	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.3	171.2	-179.3	-161.4	0	0	0	0	112.7	K263 C319 N333	K263-S329 WeakPolarHBondContact CD-O 3.32Å; K263-S329 PolarHBondContact NZ-O 2.91Å; C319-S329 PolarHBondContact O-N 2.91Å; S329-N333 VanDerWaalsContact OG-CB 3.31Å; S329-N333 WeakPolarHBondContact OG-CB 3.38Å
330	T	97.3	Very high	95.3	Very high	35 Å²	35	47.7 Å²	47.7	22%	0.215	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-96.6	168.8	166.6	75.4	0	0	0	0	110.4	E332 N333 L334	T330-E332 WeakPolarHBondContact CB-OE2 3.43Å; T330-E332 PolarHBondContact OG1-N 3.22Å; T330-E332 PolarHBondContact OG1-OE2 3.04Å; T330-N333 PolarHBondContact OG1-N 3.36Å; T330-L334 WeakPolarHBondContact O-CD1 3.4Å; T330-L334 WeakPolarHBondContact O-CG 3.47Å; T330-L334 PolarHBondContact O-N 2.7Å
331	V	97.4	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-40.3	177.1	174.1	0	0	0	0	111	L184 V187 N188 V266 L269 N333 L334 I335	L184-V331 HydrophobicContact CB-CG1 4.24Å; L184-V331 HydrophobicContact CD2-CG1 3.93Å; L184-V331 WeakPolarHBondContact O-CG1 3.26Å; V187-V331 HydrophobicContact CG1-CG2 4.1Å; N188-V331 HydrophobicContact CB-CG1 3.66Å; V266-V331 HydrophobicContact CG2-CG2 3.69Å; L269-V331 HydrophobicContact CD1-CG2 4.3Å; V331-N333 PolarHBondContact O-N 2.7Å; V331-L334 PolarHBondContact O-N 3.49Å; V331-I335 HydrophobicContact CG1-CD1 4.02Å; V331-I335 WeakPolarHBondContact O-CG1 3.35Å; V331-I335 PolarHBondContact O-N 3.19Å
332	E	95.8	Very high	94.8	Very high	86 Å²	86	53.8 Å²	53.8	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-57.3	-50.6	177	-55.7	79.9	176.8	0	0	111	N188 T330 L334 I335 S336	N188-E332 WeakPolarHBondContact OD1-CG 3.31Å; N188-E332 PolarHBondContact OD1-OE1 2.89Å; T330-E332 WeakPolarHBondContact CB-OE2 3.43Å; T330-E332 PolarHBondContact OG1-N 3.22Å; T330-E332 PolarHBondContact OG1-OE2 3.04Å; E332-L334 VanDerWaalsContact C-N 3.27Å; E332-L334 PolarHBondContact O-N 3.01Å; E332-I335 WeakPolarHBondContact O-CB 3.3Å; E332-I335 PolarHBondContact O-N 3.34Å; E332-I335 VanDerWaalsContact O-N 3.16Å; E332-S336 PolarHBondContact O-N 2.9Å; E332-S336 PolarHBondContact O-OG 3.45Å
333	N	96.7	Very high	94.6	Very high	93 Å²	93	52.7 Å²	52.7	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-34.2	178.7	-72.1	3.5	0	0	0	112.3	S329 T330 V331 S336 H337	S329-N333 VanDerWaalsContact OG-CB 3.31Å; S329-N333 WeakPolarHBondContact OG-CB 3.38Å; T330-N333 PolarHBondContact OG1-N 3.36Å; V331-N333 PolarHBondContact O-N 2.7Å; N333-S336 WeakPolarHBondContact CA-OG 3.41Å; N333-S336 PolarHBondContact O-N 2.9Å; N333-S336 PolarHBondContact O-OG 3.31Å; N333-H337 PolarHBondContact O-N 3.44Å
334	L	97.5	Very high	94.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-73.9	-29.9	177.6	-68.5	167.2	0	0	0	112.6	W180 L184 V266 C319 C320 T330 V331 E332 S336 H337 V340	W180-L334 HydrophobicContact CH2-CB 4.17Å; W180-L334 HydrophobicContact CH2-CD2 4.09Å; L184-L334 HydrophobicContact CD1-CB 4.15Å; L184-L334 HydrophobicContact CD2-CB 3.75Å; L184-L334 HydrophobicContact CD2-CD1 4.14Å; V266-L334 HydrophobicContact CG1-CD1 3.61Å; C319-L334 HydrophobicContact CB-CD2 4.06Å; C320-L334 WeakPolarHBondContact SG-CD1 3.23Å; T330-L334 WeakPolarHBondContact O-CD1 3.4Å; T330-L334 WeakPolarHBondContact O-CG 3.47Å; T330-L334 PolarHBondContact O-N 2.7Å; V331-L334 PolarHBondContact O-N 3.49Å; E332-L334 VanDerWaalsContact C-N 3.27Å; E332-L334 PolarHBondContact O-N 3.01Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-H337 WeakPolarHBondContact O-CB 3.25Å; L334-H337 PolarHBondContact O-N 2.88Å; L334-V340 WeakPolarHBondContact O-CG2 3.15Å
335	I	96.6	Very high	93.9	Very high	32 Å²	32	52.4 Å²	52.4	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-36.5	172.2	-70.9	165.7	0	0	0	111	L181 L184 R185 N188 V331 E332 H337 V340	L181-I335 HydrophobicContact CD1-CB 4.4Å; L181-I335 HydrophobicContact CD1-CG1 4.09Å; L181-I335 HydrophobicContact CD1-CG2 4.07Å; L184-I335 HydrophobicContact CB-CD1 4.36Å; L184-I335 HydrophobicContact CB-CG1 3.85Å; L184-I335 HydrophobicContact CD1-CG1 4.34Å; R185-I335 HydrophobicContact CG-CD1 4.08Å; N188-I335 HydrophobicContact CB-CD1 4.06Å; V331-I335 HydrophobicContact CG1-CD1 4.02Å; V331-I335 WeakPolarHBondContact O-CG1 3.35Å; V331-I335 PolarHBondContact O-N 3.19Å; E332-I335 WeakPolarHBondContact O-CB 3.3Å; E332-I335 PolarHBondContact O-N 3.34Å; E332-I335 VanDerWaalsContact O-N 3.16Å; I335-H337 VanDerWaalsContact C-N 3.35Å; I335-V340 WeakPolarHBondContact O-CG1 3.44Å
336	S	94.9	Very high	93	Very high	76 Å²	76	56.7 Å²	56.7	53%	0.531	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.2	175.4	50.8	0	0	0	0	114.9	E332 N333 L334	E332-S336 PolarHBondContact O-N 2.9Å; E332-S336 PolarHBondContact O-OG 3.45Å; N333-S336 WeakPolarHBondContact CA-OG 3.41Å; N333-S336 PolarHBondContact O-N 2.9Å; N333-S336 PolarHBondContact O-OG 3.31Å; L334-S336 VanDerWaalsContact C-N 3.32Å
337	H	96	Very high	91.3	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.074	27%	0.271	C	S	.	.	S	Bend	trans	-66.1	143.9	-172.3	-165.5	-94.5	0	0	0	112.3	D315 A316 N333 L334 I335 Y339 V340 T341	D315-H337 IonicContact OD2-CE1 2.77Å; D315-H337 PolarHBondContact OD2-CE1 3.31Å; D315-H337 IonicContact OD2-NE2 3.72Å; D315-H337 PolarHBondContact OD2-NE2 3.2Å; A316-H337 PolarHBondContact N-CE1 2.96Å; N333-H337 PolarHBondContact O-N 3.44Å; L334-H337 WeakPolarHBondContact O-CB 3.25Å; L334-H337 PolarHBondContact O-N 2.88Å; I335-H337 VanDerWaalsContact C-N 3.35Å; H337-Y339 VanDerWaalsContact ND1-CB 3.32Å; H337-Y339 WeakPolarHBondContact ND1-CB 3.21Å; H337-Y339 PolarHBondContact ND1-N 3Å; H337-Y339 PolarHBondContact O-N 3.29Å; H337-V340 WeakPolarHBondContact O-CA 3.4Å; H337-V340 WeakPolarHBondContact O-CB 3.47Å; H337-V340 PolarHBondContact O-N 2.87Å; H337-T341 PolarHBondContact O-N 3.15Å; H337-T341 PolarHBondContact O-OG1 3.32Å
338	P	94.5	Very high	89.5	Confident	56 Å²	56	45 Å²	45	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-49.8	-36.1	176.8	-32	37.7	0	0	0	114.7	F312 V340 T341 Q342	F312-P338 HydrophobicContact CB-CB 4.49Å; F312-P338 HydrophobicContact CD1-CB 3.51Å; F312-P338 HydrophobicContact CD1-CG 4.38Å; F312-P338 HydrophobicContact CD2-CB 4.3Å; F312-P338 HydrophobicContact CE1-CB 3.62Å; F312-P338 HydrophobicContact CE1-CG 4.37Å; F312-P338 HydrophobicContact CE2-CB 4.39Å; F312-P338 HydrophobicContact CG-CB 3.87Å; F312-P338 HydrophobicContact CZ-CB 4.07Å; P338-V340 PolarHBondContact O-N 3.39Å; P338-T341 WeakPolarHBondContact CA-OG1 3.45Å; P338-T341 PolarHBondContact O-N 3.03Å; P338-Q342 WeakPolarHBondContact O-CB 3.32Å; P338-Q342 VanDerWaalsContact O-CG 3.28Å; P338-Q342 WeakPolarHBondContact O-CG 3.36Å; P338-Q342 PolarHBondContact O-N 2.91Å
339	Y	94.5	Very high	87.5	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-32.5	175.3	-175	-129.9	0	0	0	113.6	V177 W180 L273 F312 A313 A316 H337 Q342 Y343	V177-Y339 HydrophobicContact CG2-CD1 4.07Å; V177-Y339 HydrophobicContact CG2-CD2 4.27Å; V177-Y339 HydrophobicContact CG2-CE1 3.53Å; V177-Y339 HydrophobicContact CG2-CE2 3.74Å; V177-Y339 HydrophobicContact CG2-CG 4.41Å; W180-Y339 HydrophobicContact CE3-CD1 4.15Å; W180-Y339 HydrophobicContact CE3-CE1 4.25Å; W180-Y339 AromaticContact CZ3-CD1 3.86Å; W180-Y339 HydrophobicContact CZ3-CD1 3.86Å; W180-Y339 HydrophobicContact CZ3-CE1 4.37Å; L273-Y339 HydrophobicContact CD1-CE1 3.81Å; L273-Y339 HydrophobicContact CD2-CD1 4.31Å; L273-Y339 HydrophobicContact CD2-CE1 3.85Å; L273-Y339 HydrophobicContact CG-CE1 4.45Å; F312-Y339 HydrophobicContact CB-CD2 4.15Å; F312-Y339 HydrophobicContact CB-CG 4.38Å; F312-Y339 WeakPolarHBondContact O-CB 3.31Å; A313-Y339 HydrophobicContact CB-CD2 3.79Å; A313-Y339 HydrophobicContact CB-CE1 4.38Å; A313-Y339 HydrophobicContact CB-CE2 3.37Å; A313-Y339 HydrophobicContact CB-CG 4.48Å; A316-Y339 HydrophobicContact CB-CD1 3.83Å; A316-Y339 HydrophobicContact CB-CG 4.15Å; H337-Y339 VanDerWaalsContact ND1-CB 3.32Å; H337-Y339 WeakPolarHBondContact ND1-CB 3.21Å; H337-Y339 PolarHBondContact ND1-N 3Å; H337-Y339 PolarHBondContact O-N 3.29Å; Y339-Q342 PolarHBondContact O-NE2 2.97Å; Y339-Q342 VanDerWaalsContact O-NE2 3.13Å; Y339-Y343 HydrophobicContact CE2-CE2 4.35Å; Y339-Y343 WeakPolarHBondContact O-CD2 3.36Å
340	V	94.5	Very high	85.4	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-88.7	-52.6	178.9	178.7	0	0	0	0	110.7	V177 W180 L181 L334 I335 H337 P338 Q342 Y343 F344	V177-V340 HydrophobicContact CG1-CB 4.45Å; V177-V340 HydrophobicContact CG1-CG1 4.41Å; V177-V340 HydrophobicContact CG1-CG2 4.4Å; W180-V340 HydrophobicContact CE3-CG2 4.08Å; W180-V340 HydrophobicContact CZ3-CG2 3.72Å; L181-V340 HydrophobicContact CB-CG1 4.37Å; L181-V340 HydrophobicContact CD1-CG1 3.87Å; L181-V340 HydrophobicContact CD2-CG1 3.5Å; L181-V340 VanDerWaalsContact CD2-CG1 3.5Å; L181-V340 HydrophobicContact CG-CG1 4.11Å; L334-V340 WeakPolarHBondContact O-CG2 3.15Å; I335-V340 WeakPolarHBondContact O-CG1 3.44Å; H337-V340 WeakPolarHBondContact O-CA 3.4Å; H337-V340 WeakPolarHBondContact O-CB 3.47Å; H337-V340 PolarHBondContact O-N 2.87Å; P338-V340 PolarHBondContact O-N 3.39Å; V340-Q342 VanDerWaalsContact C-N 3.29Å; V340-Q342 PolarHBondContact O-N 3.34Å; V340-Y343 PolarHBondContact O-N 3.49Å; V340-F344 PolarHBondContact O-N 3.4Å
341	T	93.5	Very high	83.1	Confident	52 Å²	52	52.2 Å²	52.2	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-24.7	-171	54.2	0	0	0	0	113.2	H337 P338 Y343 F344 P345	H337-T341 PolarHBondContact O-N 3.15Å; H337-T341 PolarHBondContact O-OG1 3.32Å; P338-T341 WeakPolarHBondContact CA-OG1 3.45Å; P338-T341 PolarHBondContact O-N 3.03Å; T341-Y343 VanDerWaalsContact C-N 3.25Å; T341-Y343 PolarHBondContact O-N 3.08Å; T341-F344 CarbonylContact O-C 3.58Å; T341-P345 WeakPolarHBondContact O-CA 3.43Å; T341-P345 VanDerWaalsContact O-N 3.15Å
342	Q	91.4	Very high	80.3	Confident	86 Å²	86	55.6 Å²	55.6	40%	0.402	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30	170.9	71.5	-177.5	-26.9	0	0	113.6	P338 Y339 V340	P338-Q342 WeakPolarHBondContact O-CB 3.32Å; P338-Q342 VanDerWaalsContact O-CG 3.28Å; P338-Q342 WeakPolarHBondContact O-CG 3.36Å; P338-Q342 PolarHBondContact O-N 2.91Å; Y339-Q342 PolarHBondContact O-NE2 2.97Å; Y339-Q342 VanDerWaalsContact O-NE2 3.13Å; V340-Q342 VanDerWaalsContact C-N 3.29Å; V340-Q342 PolarHBondContact O-N 3.34Å
343	Y	90	Very high	77.2	Confident	46 Å²	46	60.7 Å²	60.7	18%	0.18	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-26.6	-179.2	-65.1	-64.7	0	0	0	113.2	P173 R174 V177 Y339 V340 T341	P173-Y343 HydrophobicContact CB-CE1 4.41Å; P173-Y343 HydrophobicContact CB-CE2 4.3Å; P173-Y343 VanDerWaalsContact CB-OH 3.25Å; P173-Y343 WeakPolarHBondContact CB-OH 3.46Å; R174-Y343 HydrophobicContact CB-CD1 3.96Å; R174-Y343 HydrophobicContact CB-CE1 4.33Å; R174-Y343 HydrophobicContact CB-CG 4.46Å; R174-Y343 HydrophobicContact CG-CD1 4.14Å; R174-Y343 HydrophobicContact CG-CG 4.42Å; V177-Y343 HydrophobicContact CB-CD2 3.93Å; V177-Y343 HydrophobicContact CG1-CD2 4.05Å; V177-Y343 HydrophobicContact CG2-CD2 3.65Å; V177-Y343 HydrophobicContact CG2-CE2 3.83Å; Y339-Y343 HydrophobicContact CE2-CE2 4.35Å; Y339-Y343 WeakPolarHBondContact O-CD2 3.36Å; V340-Y343 PolarHBondContact O-N 3.49Å; T341-Y343 VanDerWaalsContact C-N 3.25Å; T341-Y343 PolarHBondContact O-N 3.08Å
344	F	90.1	Very high	74	Confident	18 Å²	18	62.9 Å²	62.9	8%	0.079	37%	0.368	C	S	.	.			trans	-139.9	73.5	-176.8	-58.2	-78.8	0	0	0	109.4	R174 V177 R178 L181 V340 T341 N346	R174-F344 HydrophobicContact CG-CE2 4.27Å; R174-F344 HydrophobicContact CG-CZ 3.95Å; V177-F344 HydrophobicContact CB-CE2 4.26Å; V177-F344 HydrophobicContact CG1-CD2 3.8Å; V177-F344 HydrophobicContact CG1-CE2 3.86Å; R178-F344 HydrophobicContact CB-CE2 4.2Å; R178-F344 HydrophobicContact CB-CZ 3.86Å; R178-F344 HydrophobicContact CG-CZ 4.14Å; L181-F344 HydrophobicContact CD2-CB 4.09Å; L181-F344 HydrophobicContact CD2-CD2 4.21Å; L181-F344 HydrophobicContact CD2-CG 4.25Å; V340-F344 PolarHBondContact O-N 3.4Å; T341-F344 CarbonylContact O-C 3.58Å; F344-N346 VanDerWaalsContact C-N 3.32Å; F344-N346 PolarHBondContact O-N 3.23Å
345	P	79.2	Confident	70.7	Confident	91 Å²	91	65.4 Å²	65.4	59%	0.591	39%	0.393	S	S	*	.	S	Bend	trans	-64.8	-34.4	-172.5	24.2	-34	0	0	0	112.7	T341	T341-P345 WeakPolarHBondContact O-CA 3.43Å; T341-P345 VanDerWaalsContact O-N 3.15Å
346	N	73	Confident	67.3	Low	96 Å²	96	70.2 Å²	70.2	51%	0.513	43%	0.427	S	S	.	.	S	Bend	trans	-94.2	126.4	166.5	-40.7	-74.6	0	0	0	109.2	F344 A348 D349	F344-N346 VanDerWaalsContact C-N 3.32Å; F344-N346 PolarHBondContact O-N 3.23Å; N346-A348 PolarHBondContact O-N 3.45Å; N346-A348 VanDerWaalsContact O-N 3.11Å; N346-D349 WeakPolarHBondContact CB-OD2 3.26Å; N346-D349 PolarHBondContact ND2-OD2 3.28Å; N346-D349 WeakPolarHBondContact O-CB 3.42Å; N346-D349 PolarHBondContact O-N 2.68Å
347	S	56.3	Low	63.9	Low	78 Å²	78	70.8 Å²	70.8	55%	0.545	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21.9	170.9	60.6	0	0	0	0	112.1	R185 D349	R185-S347 PolarHBondContact NH1-O 3.3Å; R185-S347 PolarHBondContact NH2-O 3.3Å; S347-D349 VanDerWaalsContact C-N 3.29Å; S347-D349 PolarHBondContact O-N 2.73Å
348	A	57.5	Low	60.6	Low	58 Å²	58	77.9 Å²	77.9	48%	0.479	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-63	-27.7	172.7	0	0	0	0	0	114.4	N346 L350 H351	N346-A348 PolarHBondContact O-N 3.45Å; N346-A348 VanDerWaalsContact O-N 3.11Å; A348-L350 PolarHBondContact O-N 3.34Å; A348-H351 WeakPolarHBondContact O-CB 3.33Å; A348-H351 PolarHBondContact O-N 3.17Å
349	D	53.1	Low	57.3	Low	74 Å²	74	81 Å²	81	40%	0.396	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-70.6	-7	-160.5	-66.2	-21.9	0	0	0	116.1	N346 S347	N346-D349 WeakPolarHBondContact CB-OD2 3.26Å; N346-D349 PolarHBondContact ND2-OD2 3.28Å; N346-D349 WeakPolarHBondContact O-CB 3.42Å; N346-D349 PolarHBondContact O-N 2.68Å; S347-D349 VanDerWaalsContact C-N 3.29Å; S347-D349 PolarHBondContact O-N 2.73Å
350	L	54.3	Low	53.9	Low	31 Å²	31	87.4 Å²	87.4	16%	0.162	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-80.3	-21.2	168.8	-94.8	138.2	0	0	0	113.4	R178 L181 A348 G352	R178-L350 HydrophobicContact CG-CD2 3.71Å; L181-L350 HydrophobicContact CB-CD1 4.16Å; L181-L350 HydrophobicContact CD2-CD1 3.2Å; L181-L350 HydrophobicContact CG-CD1 3.52Å; A348-L350 PolarHBondContact O-N 3.34Å; L350-G352 VanDerWaalsContact C-N 3.32Å; L350-G352 PolarHBondContact O-N 3.26Å; L350-G352 VanDerWaalsContact O-N 3.09Å
351	H	48.7	Very low	50.6	Low	104 Å²	104	94.9 Å²	94.9	48%	0.481	57%	0.568	S	S	.	*	S	Bend	trans	-78.8	91	166.7	-59.8	-83.3	0	0	0	106.7	A348 K353	A348-H351 WeakPolarHBondContact O-CB 3.33Å; A348-H351 PolarHBondContact O-N 3.17Å; H351-K353 PolarHBondContact O-N 3.35Å
352	G	37.4	Very low	47.3	Very low	71 Å²	71	96 Å²	96	73%	0.732	58%	0.582	S	S	*	*			trans	-51.3	106.7	171.6	0	0	0	0	0	108.8	L350 T354	L350-G352 VanDerWaalsContact C-N 3.32Å; L350-G352 PolarHBondContact O-N 3.26Å; L350-G352 VanDerWaalsContact O-N 3.09Å; G352-T354 PolarHBondContact O-N 3.47Å
353	K	32.5	Very low	44.5	Very low	194 Å²	194	97.2 Å²	97.2	84%	0.843	60%	0.598	S	S	*	*			trans	-54.5	130.4	175.9	-74.1	179.2	178.4	174	0	106.9	H351 G355	H351-K353 PolarHBondContact O-N 3.35Å; K353-G355 PolarHBondContact O-N 3.37Å
354	T	29.4	Very low	41.4	Very low	139 Å²	139	100.7 Å²	100.7	85%	0.853	63%	0.626	S	S	*	*			trans	-49.7	109.1	-179.6	47.4	0	0	0	0	110	G352	G352-T354 PolarHBondContact O-N 3.47Å
355	G	27.5	Very low	38.5	Very low	52 Å²	52	108.4 Å²	108.4	54%	0.536	65%	0.654	S	S	.	*			trans	-55.7	157.7	155.1	0	0	0	0	0	109.2	K353 A357	K353-G355 PolarHBondContact O-N 3.37Å; G355-A357 PolarHBondContact O-N 3.25Å
356	P	25.2	Very low	36	Very low	134 Å²	134	111.7 Å²	111.7	87%	0.87	66%	0.662	S	S	*	*	S	Bend	trans	-52.7	134.4	-175.3	23.8	-34.2	0	0	0	110	M358	P356-M358 PolarHBondContact O-N 3.2Å
357	A	23.9	Very low	33.8	Very low	88 Å²	88	114.8 Å²	114.8	73%	0.727	68%	0.679	S	S	*	*			trans	-44.6	121.8	-164.2	0	0	0	0	0	112.6	G355 T359	G355-A357 PolarHBondContact O-N 3.25Å; A357-T359 VanDerWaalsContact C-N 3.28Å; A357-T359 PolarHBondContact O-N 2.93Å
358	M	25.5	Very low	32.5	Very low	164 Å²	164	116.6 Å²	116.6	81%	0.808	68%	0.682	S	S	*	*			trans	-64.4	99	158.5	-83.9	-162.2	-176.6	0	0	107	P356 T360	P356-M358 PolarHBondContact O-N 3.2Å; M358-T360 PolarHBondContact O-N 3.15Å; M358-T360 VanDerWaalsContact O-N 3.1Å
359	T	24.7	Very low	31.1	Very low	123 Å²	123	123 Å²	123	76%	0.755	70%	0.699	S	S	*	*			trans	-50.1	119.2	168	-56.6	0	0	0	0	108.3	A357 L361	A357-T359 VanDerWaalsContact C-N 3.28Å; A357-T359 PolarHBondContact O-N 2.93Å; T359-L361 PolarHBondContact O-N 3.47Å
360	T	24.2	Very low	29.9	Very low	134 Å²	134	128.8 Å²	128.8	82%	0.822	72%	0.716	S	S	*	*			trans	-69.4	78.3	-178.6	-45.7	0	0	0	0	110.3	M358 A362	M358-T360 PolarHBondContact O-N 3.15Å; M358-T360 VanDerWaalsContact O-N 3.1Å; T360-A362 PolarHBondContact O-N 2.87Å
361	L	24.8	Very low	28.8	Very low	160 Å²	160	130.8 Å²	130.8	84%	0.838	73%	0.73	S	S	*	*			trans	-65.6	102.6	158.1	-81.2	166.1	0	0	0	106.5	T359	T359-L361 PolarHBondContact O-N 3.47Å
362	A	25.4	Very low	28.5	Very low	74 Å²	74	133.2 Å²	133.2	61%	0.612	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-51.6	135.2	173.8	0	0	0	0	0	109.2	T360	T360-A362 PolarHBondContact O-N 2.87Å
363	P	32.2	Very low	28.3	Very low	112 Å²	112	132.1 Å²	132.1	73%	0.727	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-60.1	130	175.7	25.6	-32.8	0	0	0	108.3	R365	P363-R365 PolarHBondContact O-N 3.36Å; P363-R365 VanDerWaalsContact O-N 3.16Å
364	P	24.9	Very low	28.6	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-55.1	123.9	177.3	-25.8	34.4	0	0	0	110.1	E366	P364-E366 PolarHBondContact O-N 3.01Å
365	R	28.6	Very low	29.1	Very low	180 Å²	180	129.7 Å²	129.7	68%	0.679	70%	0.696	S	S	*	*			trans	-73.4	74.4	173.7	-75.8	-174.9	172.4	-170.2	-4.2	109	D96 P363	D96-R365 PolarHBondContact O-NH2 2.82Å; P363-R365 PolarHBondContact O-N 3.36Å; P363-R365 VanDerWaalsContact O-N 3.16Å
366	E	27.7	Very low	29.8	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	70%	0.7	S	S	*	*			trans	-149.7	147.9	177.3	-117.4	159.9	-142.3	0	0	114.4	P364 L368	P364-E366 PolarHBondContact O-N 3.01Å; E366-L368 PolarHBondContact O-N 2.82Å
367	N	25.7	Very low	30.5	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	68%	0.676	S	S	*	*			trans	-55.1	111.4	-168.6	-60.9	-60.6	0	0	0	115
368	L	28.5	Very low	31.4	Very low	116 Å²	116	132.9 Å²	132.9	61%	0.607	66%	0.66	S	S	*	*			trans	-134.7	99.3	168.7	-84.6	106.4	0	0	0	115	E366 Y370 T371	E366-L368 PolarHBondContact O-N 2.82Å; L368-Y370 PolarHBondContact O-N 2.92Å; L368-T371 HydrophobicContact CD2-CG2 3.51Å
369	K	29	Very low	32.2	Very low	193 Å²	193	127.9 Å²	127.9	84%	0.839	64%	0.641	S	S	*	*	S	Bend	trans	-69.3	2.5	159.9	-95.6	-179.5	174.2	177.3	0	113.7
370	Y	28.3	Very low	33.1	Very low	194 Å²	194	122.9 Å²	122.9	76%	0.761	61%	0.614	S	S	*	*			trans	-139.7	40.3	-157.2	-62.9	-74.3	0	0	0	117.2	L368	L368-Y370 PolarHBondContact O-N 2.92Å
371	T	31.4	Very low	34.1	Very low	73 Å²	73	119 Å²	119	45%	0.448	59%	0.59	S	S	.	*			trans	-135.2	67.5	176.9	34.5	0	0	0	0	114.1	L368 L375	L368-T371 HydrophobicContact CD2-CG2 3.51Å; T371-L375 VanDerWaalsContact O-CD1 3.29Å; T371-L375 WeakPolarHBondContact O-CD1 3.46Å
372	K	42.7	Very low	35.1	Very low	156 Å²	156	114.9 Å²	114.9	68%	0.678	57%	0.567	S	S	*	*	S	Bend	trans	-95.5	-50.1	172.2	-69.3	-175.9	178.5	178.8	0	114.9	W374 L375 Y376	K372-W374 PolarHBondContact O-N 3.37Å; K372-L375 PolarHBondContact O-N 3.48Å; K372-Y376 HydrophobicContact CB-CE2 4.48Å; K372-Y376 VanDerWaalsContact O-CD2 3.25Å; K372-Y376 WeakPolarHBondContact O-CD2 3.48Å; K372-Y376 PolarHBondContact O-N 3.24Å
373	P	32.6	Very low	36	Very low	47 Å²	47	116.1 Å²	116.1	31%	0.305	56%	0.558	S	S	.	*	H	α-helix	trans	-63.2	-42.8	-169.2	-26.1	35.9	0	0	0	115.4	L375 Y376 Y377	P373-L375 VanDerWaalsContact C-N 3.33Å; P373-L375 PolarHBondContact O-N 3.03Å; P373-Y376 PolarHBondContact O-N 2.87Å; P373-Y377 PolarHBondContact O-N 3.1Å; P373-Y377 VanDerWaalsContact O-N 3.1Å
374	W	38.4	Very low	36.5	Very low	180 Å²	180	114 Å²	114	68%	0.682	54%	0.54	S	S	*	.	H	α-helix	trans	-70.1	-30	-176.4	-161.6	87	0	0	0	113	K372 Y377 K378	K372-W374 PolarHBondContact O-N 3.37Å; W374-Y377 PolarHBondContact O-N 3.47Å; W374-K378 HydrophobicContact CE3-CB 4.38Å; W374-K378 HydrophobicContact CE3-CD 4.46Å; W374-K378 HydrophobicContact CH2-CD 4.01Å; W374-K378 HydrophobicContact CZ3-CB 4.31Å; W374-K378 HydrophobicContact CZ3-CD 3.65Å; W374-K378 WeakPolarHBondContact O-CB 3.45Å; W374-K378 PolarHBondContact O-N 3.37Å
375	L	39.9	Very low	37.3	Very low	103 Å²	103	113.9 Å²	113.9	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-39.9	172.9	-102.2	143.8	0	0	0	111.5	T371 K372 P373 S379	T371-L375 VanDerWaalsContact O-CD1 3.29Å; T371-L375 WeakPolarHBondContact O-CD1 3.46Å; K372-L375 PolarHBondContact O-N 3.48Å; P373-L375 VanDerWaalsContact C-N 3.33Å; P373-L375 PolarHBondContact O-N 3.03Å; L375-S379 WeakPolarHBondContact O-CB 3.28Å; L375-S379 PolarHBondContact O-N 3.34Å; L375-S379 PolarHBondContact O-OG 3.1Å; L375-S379 VanDerWaalsContact O-OG 3.06Å
376	Y	42.3	Very low	37.9	Very low	157 Å²	157	111.6 Å²	111.6	62%	0.616	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-41.8	172.3	-75.5	-72.5	0	0	0	112.6	K372 P373 G380	K372-Y376 HydrophobicContact CB-CE2 4.48Å; K372-Y376 VanDerWaalsContact O-CD2 3.25Å; K372-Y376 WeakPolarHBondContact O-CD2 3.48Å; K372-Y376 PolarHBondContact O-N 3.24Å; P373-Y376 PolarHBondContact O-N 2.87Å; Y376-G380 PolarHBondContact O-N 3.38Å
377	Y	39.6	Very low	38.5	Very low	91 Å²	91	108.9 Å²	108.9	36%	0.357	52%	0.521	S	S	.	.	H	α-helix	trans	-61.2	-49.4	175.8	179.1	-96.3	0	0	0	111.7	P373 W374 G380 V381	P373-Y377 PolarHBondContact O-N 3.1Å; P373-Y377 VanDerWaalsContact O-N 3.1Å; W374-Y377 PolarHBondContact O-N 3.47Å; Y377-G380 PolarHBondContact O-N 3.16Å; Y377-V381 HydrophobicContact CD1-CG2 4.4Å; Y377-V381 HydrophobicContact CE1-CG2 4Å; Y377-V381 HydrophobicContact CE2-CG2 4.22Å; Y377-V381 WeakPolarHBondContact O-CG2 3.3Å; Y377-V381 PolarHBondContact O-N 2.89Å
378	K	42	Very low	39.1	Very low	92 Å²	92	110.9 Å²	110.9	40%	0.4	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-48.5	177.8	-179.1	170.7	171.7	178.7	0	111.4	W374 G380 V381 E382	W374-K378 HydrophobicContact CE3-CB 4.38Å; W374-K378 HydrophobicContact CE3-CD 4.46Å; W374-K378 HydrophobicContact CH2-CD 4.01Å; W374-K378 HydrophobicContact CZ3-CB 4.31Å; W374-K378 HydrophobicContact CZ3-CD 3.65Å; W374-K378 WeakPolarHBondContact O-CB 3.45Å; W374-K378 PolarHBondContact O-N 3.37Å; K378-G380 VanDerWaalsContact C-N 3.3Å; K378-G380 PolarHBondContact O-N 3.09Å; K378-V381 PolarHBondContact O-N 3Å; K378-E382 WeakPolarHBondContact CE-OE1 3.47Å; K378-E382 HydrophobicContact CG-CG 4.37Å; K378-E382 IonicContact NZ-OE1 3.75Å; K378-E382 WeakPolarHBondContact O-CB 3.27Å; K378-E382 VanDerWaalsContact O-CG 3.29Å; K378-E382 WeakPolarHBondContact O-CG 3.44Å; K378-E382 PolarHBondContact O-N 2.87Å
379	S	43.9	Very low	39.3	Very low	60 Å²	60	109.5 Å²	109.5	42%	0.42	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-32.6	175.7	-65.5	0	0	0	0	113.8	L375 F383	L375-S379 WeakPolarHBondContact O-CB 3.28Å; L375-S379 PolarHBondContact O-N 3.34Å; L375-S379 PolarHBondContact O-OG 3.1Å; L375-S379 VanDerWaalsContact O-OG 3.06Å; S379-F383 WeakPolarHBondContact O-CB 3.18Å; S379-F383 PolarHBondContact O-N 2.68Å
380	G	42.8	Very low	39.2	Very low	18 Å²	18	108.9 Å²	108.9	19%	0.186	52%	0.516	C	S	.	.	H	α-helix	trans	-71.5	-38.6	175.6	0	0	0	0	0	113.2	Y376 Y377 K378 L384	Y376-G380 PolarHBondContact O-N 3.38Å; Y377-G380 PolarHBondContact O-N 3.16Å; K378-G380 VanDerWaalsContact C-N 3.3Å; K378-G380 PolarHBondContact O-N 3.09Å; G380-L384 VanDerWaalsContact O-CG 3.31Å; G380-L384 WeakPolarHBondContact O-CG 3.41Å; G380-L384 PolarHBondContact O-N 2.89Å
381	V	45.1	Very low	39.2	Very low	52 Å²	52	103.9 Å²	103.9	32%	0.315	51%	0.51	S	S	.	.	H	α-helix	trans	-72.2	-39.4	175.2	173.5	0	0	0	0	111.4	Y377 K378 L384 N385	Y377-V381 HydrophobicContact CD1-CG2 4.4Å; Y377-V381 HydrophobicContact CE1-CG2 4Å; Y377-V381 HydrophobicContact CE2-CG2 4.22Å; Y377-V381 WeakPolarHBondContact O-CG2 3.3Å; Y377-V381 PolarHBondContact O-N 2.89Å; K378-V381 PolarHBondContact O-N 3Å; V381-L384 PolarHBondContact O-N 3.23Å; V381-N385 WeakPolarHBondContact O-CB 3.42Å; V381-N385 PolarHBondContact O-N 3.46Å; V381-N385 PolarHBondContact O-ND2 3.47Å
382	E	46.2	Very low	38.9	Very low	73 Å²	73	106.6 Å²	106.6	34%	0.341	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-46.1	172.2	-72.3	168.7	162.3	0	0	110.9	K378 L384 N385 D386	K378-E382 WeakPolarHBondContact CE-OE1 3.47Å; K378-E382 HydrophobicContact CG-CG 4.37Å; K378-E382 IonicContact NZ-OE1 3.75Å; K378-E382 WeakPolarHBondContact O-CB 3.27Å; K378-E382 VanDerWaalsContact O-CG 3.29Å; K378-E382 WeakPolarHBondContact O-CG 3.44Å; K378-E382 PolarHBondContact O-N 2.87Å; E382-L384 VanDerWaalsContact C-N 3.34Å; E382-L384 PolarHBondContact O-N 2.95Å; E382-N385 PolarHBondContact O-N 3.25Å; E382-D386 WeakPolarHBondContact O-CB 3.2Å; E382-D386 PolarHBondContact O-N 3.38Å
383	F	44.9	Very low	38.2	Very low	100 Å²	100	105.1 Å²	105.1	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-56	-44.2	173.4	175.6	-95.7	0	0	0	112.5	S379 F387	S379-F383 WeakPolarHBondContact O-CB 3.18Å; S379-F383 PolarHBondContact O-N 2.68Å; F383-F387 AromaticContact CD2-CD2 3.97Å; F383-F387 HydrophobicContact CD2-CD2 3.97Å; F383-F387 AromaticContact CD2-CE2 3.76Å; F383-F387 HydrophobicContact CD2-CE2 3.76Å; F383-F387 AromaticContact CE2-CD2 3.89Å; F383-F387 HydrophobicContact CE2-CD2 3.89Å; F383-F387 HydrophobicContact CE2-CE1 4.48Å; F383-F387 AromaticContact CE2-CE2 3.46Å; F383-F387 HydrophobicContact CE2-CE2 3.46Å; F383-F387 VanDerWaalsContact CE2-CE2 3.46Å; F383-F387 AromaticContact CE2-CZ 3.78Å; F383-F387 HydrophobicContact CE2-CZ 3.78Å; F383-F387 HydrophobicContact CG-CD2 4.46Å; F383-F387 HydrophobicContact CZ-CD2 4.33Å; F383-F387 HydrophobicContact CZ-CE2 4.17Å; F383-F387 HydrophobicContact CZ-CZ 4.25Å; F383-F387 WeakPolarHBondContact O-CB 3.49Å; F383-F387 VanDerWaalsContact O-CD2 3.29Å; F383-F387 WeakPolarHBondContact O-CD2 3.31Å; F383-F387 PolarHBondContact O-N 3.22Å
384	L	41.2	Very low	38.2	Very low	67 Å²	67	111.2 Å²	111.2	35%	0.351	55%	0.552	S	S	.	*	H	α-helix	trans	-70.6	-36.3	178.6	-72.9	168.5	0	0	0	113.1	G380 V381 E382 W388 L410	G380-L384 VanDerWaalsContact O-CG 3.31Å; G380-L384 WeakPolarHBondContact O-CG 3.41Å; G380-L384 PolarHBondContact O-N 2.89Å; V381-L384 PolarHBondContact O-N 3.23Å; E382-L384 VanDerWaalsContact C-N 3.34Å; E382-L384 PolarHBondContact O-N 2.95Å; L384-W388 WeakPolarHBondContact O-CB 3.47Å; L384-W388 PolarHBondContact O-N 3.29Å; L384-L410 HydrophobicContact CD1-CD2 3.76Å
385	N	42.9	Very low	37.7	Very low	118 Å²	118	108 Å²	108	63%	0.631	55%	0.552	S	S	*	*	H	α-helix	trans	-70.5	-40.6	176.4	-75.2	-28.2	0	0	0	112.2	V381 E382 F387	V381-N385 WeakPolarHBondContact O-CB 3.42Å; V381-N385 PolarHBondContact O-N 3.46Å; V381-N385 PolarHBondContact O-ND2 3.47Å; E382-N385 PolarHBondContact O-N 3.25Å; N385-F387 VanDerWaalsContact C-N 3.29Å; N385-F387 PolarHBondContact O-N 3.37Å
386	D	41.8	Very low	37.4	Very low	132 Å²	132	109.9 Å²	109.9	71%	0.706	56%	0.562	S	S	*	*	H	α-helix	trans	-72	-21.9	179.6	-74.1	-11.5	0	0	0	113	E382	E382-D386 WeakPolarHBondContact O-CB 3.2Å; E382-D386 PolarHBondContact O-N 3.38Å
387	F	39.2	Very low	37.2	Very low	103 Å²	103	108.5 Å²	108.5	45%	0.452	56%	0.562	S	S	.	*	H	α-helix	trans	-96.6	-11	179.7	-90.7	-107	0	0	0	115.1	M175 F383 N385 P389	M175-F387 HydrophobicContact CE-CD1 4.48Å; M175-F387 HydrophobicContact CE-CE1 3.51Å; M175-F387 HydrophobicContact CE-CE2 4.24Å; M175-F387 HydrophobicContact CE-CZ 3.37Å; F383-F387 AromaticContact CD2-CD2 3.97Å; F383-F387 HydrophobicContact CD2-CD2 3.97Å; F383-F387 AromaticContact CD2-CE2 3.76Å; F383-F387 HydrophobicContact CD2-CE2 3.76Å; F383-F387 AromaticContact CE2-CD2 3.89Å; F383-F387 HydrophobicContact CE2-CD2 3.89Å; F383-F387 HydrophobicContact CE2-CE1 4.48Å; F383-F387 AromaticContact CE2-CE2 3.46Å; F383-F387 HydrophobicContact CE2-CE2 3.46Å; F383-F387 VanDerWaalsContact CE2-CE2 3.46Å; F383-F387 AromaticContact CE2-CZ 3.78Å; F383-F387 HydrophobicContact CE2-CZ 3.78Å; F383-F387 HydrophobicContact CG-CD2 4.46Å; F383-F387 HydrophobicContact CZ-CD2 4.33Å; F383-F387 HydrophobicContact CZ-CE2 4.17Å; F383-F387 HydrophobicContact CZ-CZ 4.25Å; F383-F387 WeakPolarHBondContact O-CB 3.49Å; F383-F387 VanDerWaalsContact O-CD2 3.29Å; F383-F387 WeakPolarHBondContact O-CD2 3.31Å; F383-F387 PolarHBondContact O-N 3.22Å; N385-F387 VanDerWaalsContact C-N 3.29Å; N385-F387 PolarHBondContact O-N 3.37Å; F387-P389 WeakPolarHBondContact O-CD 3.3Å
388	W	37.9	Very low	36.8	Very low	203 Å²	203	112.6 Å²	112.6	77%	0.769	58%	0.576	S	S	*	*			trans	-113.7	70	-173.7	-161.4	-85.4	0	0	0	113.9	L384 M390	L384-W388 WeakPolarHBondContact O-CB 3.47Å; L384-W388 PolarHBondContact O-N 3.29Å; W388-M390 PolarHBondContact O-N 3.25Å
389	P	34	Very low	36.1	Very low	87 Å²	87	116.3 Å²	116.3	57%	0.565	60%	0.597	S	S	*	*			trans	-72.8	121.1	166.1	30.8	-30.9	0	0	0	109.7	F387 S391	F387-P389 WeakPolarHBondContact O-CD 3.3Å; P389-S391 PolarHBondContact O-N 3.1Å; P389-S391 VanDerWaalsContact O-N 3.17Å
390	M	25.6	Very low	35.7	Very low	180 Å²	180	119.9 Å²	119.9	89%	0.887	61%	0.611	S	S	*	*			trans	-67.5	112	172	-63.7	-154.9	-63.5	0	0	110.5	W388	W388-M390 PolarHBondContact O-N 3.25Å
391	S	28.2	Very low	35.4	Very low	89 Å²	89	124.4 Å²	124.4	62%	0.622	62%	0.623	S	S	*	*			trans	-150.1	130.2	164.9	-175.6	0	0	0	0	109.7	P389 I393	P389-S391 PolarHBondContact O-N 3.1Å; P389-S391 VanDerWaalsContact O-N 3.17Å; S391-I393 PolarHBondContact O-N 3.14Å
392	P	25.8	Very low	34.6	Very low	131 Å²	131	123.4 Å²	123.4	85%	0.851	62%	0.624	S	S	*	*			trans	-95.5	72.1	-174.7	37.4	-34.6	0	0	0	112.6
393	I	27	Very low	34	Very low	124 Å²	124	124.2 Å²	124.2	64%	0.636	64%	0.635	S	S	*	*			trans	-133.7	135.3	166.6	-70.1	93.8	0	0	0	110.1	S391	S391-I393 PolarHBondContact O-N 3.14Å
394	E	33.2	Very low	33.7	Very low	176 Å²	176	120.8 Å²	120.8	82%	0.822	63%	0.628	S	S	*	*			trans	67.2	135.1	170.8	-74.7	162.9	-156.1	0	0	119
395	T	28.8	Very low	33.8	Very low	111 Å²	111	121.8 Å²	121.8	68%	0.681	63%	0.631	S	S	*	*	S	Bend	trans	-117.3	6.9	-152.4	37	0	0	0	0	116.2
396	D	33.1	Very low	33.7	Very low	143 Å²	143	118.9 Å²	118.9	77%	0.765	62%	0.617	S	S	*	*	S	Bend	trans	-92	-27.1	-177.1	-107.5	-36.1	0	0	0	114.8	R398	D396-R398 PolarHBondContact O-N 3.13Å
397	E	37.9	Very low	33.9	Very low	129 Å²	129	116.7 Å²	116.7	60%	0.603	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-69.6	-8.5	-175.6	-66.2	-161.4	144.9	0	0	114.3	M399	E397-M399 PolarHBondContact O-N 3.07Å; E397-M399 VanDerWaalsContact O-N 3.12Å
398	R	31.1	Very low	34.3	Very low	176 Å²	176	119.3 Å²	119.3	66%	0.664	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-67.3	-9.7	-179.1	-65.2	-176.2	-178.1	-177.9	1.7	114.6	D396	D396-R398 PolarHBondContact O-N 3.13Å
399	M	28.6	Very low	34.7	Very low	170 Å²	170	114 Å²	114	84%	0.837	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-82.3	-25.6	-178.1	-73	-87.7	-171.5	0	0	114.4	E397 Y401	E397-M399 PolarHBondContact O-N 3.07Å; E397-M399 VanDerWaalsContact O-N 3.12Å; M399-Y401 PolarHBondContact O-N 3.15Å
400	L	35.2	Very low	35.4	Very low	135 Å²	135	112.9 Å²	112.9	71%	0.707	58%	0.583	S	S	*	*	S	Bend	trans	-73.5	-28.8	-172.1	-94.3	153.9	0	0	0	114
401	Y	35.1	Very low	36.8	Very low	113 Å²	113	110.4 Å²	110.4	44%	0.443	57%	0.567	S	S	.	*	S	Bend	trans	-135	88.3	170.4	-63.3	-80.2	0	0	0	109.3	M399	M399-Y401 PolarHBondContact O-N 3.15Å
402	G	29	Very low	37.9	Very low	32 Å²	32	112.6 Å²	112.6	33%	0.33	56%	0.562	S	S	.	*			trans	-55.2	148.6	173.3	0	0	0	0	0	111.3	G404 H405	G402-G404 PolarHBondContact O-N 3.24Å; G402-H405 WeakPolarHBondContact O-CB 3.4Å; G402-H405 PolarHBondContact O-N 2.96Å
403	P	33.6	Very low	39.1	Very low	90 Å²	90	109.8 Å²	109.8	58%	0.584	54%	0.537	S	S	*	.	H	α-helix	trans	-51.1	-35.4	-173.3	-30	35.1	0	0	0	114.5	H405 V406 Q407	P403-H405 VanDerWaalsContact C-N 3.3Å; P403-H405 PolarHBondContact O-N 3.31Å; P403-V406 PolarHBondContact O-N 3.12Å; P403-Q407 WeakPolarHBondContact O-CG 3.48Å; P403-Q407 PolarHBondContact O-N 3.03Å
404	G	37.9	Very low	40.2	Very low	28 Å²	28	106.1 Å²	106.1	29%	0.289	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-25.2	175.7	0	0	0	0	0	114.9	G402 R408	G402-G404 PolarHBondContact O-N 3.24Å; G404-R408 WeakPolarHBondContact O-CB 3.48Å; G404-R408 VanDerWaalsContact O-CG 3.25Å; G404-R408 WeakPolarHBondContact O-CG 3.48Å; G404-R408 PolarHBondContact O-N 2.94Å
405	H	43.3	Very low	41.2	Very low	88 Å²	88	100.2 Å²	100.2	41%	0.407	50%	0.497	S	S	.	.	H	α-helix	trans	-74.2	-44.5	177.6	-150	129.6	0	0	0	110.9	G402 P403 R408 M409	G402-H405 WeakPolarHBondContact O-CB 3.4Å; G402-H405 PolarHBondContact O-N 2.96Å; P403-H405 VanDerWaalsContact C-N 3.3Å; P403-H405 PolarHBondContact O-N 3.31Å; H405-R408 PolarHBondContact O-N 3.13Å; H405-M409 WeakPolarHBondContact O-CB 3.38Å; H405-M409 PolarHBondContact O-N 2.69Å
406	V	42.3	Very low	42.1	Very low	56 Å²	56	98.4 Å²	98.4	34%	0.339	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-42.2	174.1	-177.6	0	0	0	0	110.6	P403 M409 L410	P403-V406 PolarHBondContact O-N 3.12Å; V406-M409 PolarHBondContact O-N 2.92Å; V406-L410 HydrophobicContact CG1-CD1 3.95Å; V406-L410 HydrophobicContact CG1-CG 4.42Å; V406-L410 WeakPolarHBondContact O-CB 3.33Å; V406-L410 WeakPolarHBondContact O-CG 3.37Å; V406-L410 PolarHBondContact O-N 3.15Å
407	Q	44.7	Very low	42.9	Very low	86 Å²	86	93.3 Å²	93.3	40%	0.402	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-44.5	173.1	-79	-179.4	-25.4	0	0	112.9	P403 K411	P403-Q407 WeakPolarHBondContact O-CG 3.48Å; P403-Q407 PolarHBondContact O-N 3.03Å; Q407-K411 WeakPolarHBondContact O-CB 3.49Å; Q407-K411 PolarHBondContact O-N 3.14Å
408	R	48.8	Very low	43.6	Very low	159 Å²	159	93.2 Å²	93.2	60%	0.6	46%	0.46	S	S	*	.	H	α-helix	trans	-61.4	-43.7	175.7	-79.9	-175	-58.8	-100.6	6.1	111.9	G404 H405 K411 R412	G404-R408 WeakPolarHBondContact O-CB 3.48Å; G404-R408 VanDerWaalsContact O-CG 3.25Å; G404-R408 WeakPolarHBondContact O-CG 3.48Å; G404-R408 PolarHBondContact O-N 2.94Å; H405-R408 PolarHBondContact O-N 3.13Å; R408-K411 PolarHBondContact O-N 3.12Å; R408-R412 WeakPolarHBondContact O-CB 3.47Å; R408-R412 PolarHBondContact O-N 3.42Å
409	M	45.8	Very low	44.5	Very low	92 Å²	92	90.1 Å²	90.1	45%	0.453	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-47.8	179.5	-164.2	-173.7	-64	0	0	111.5	H405 V406 R412 F413	H405-M409 WeakPolarHBondContact O-CB 3.38Å; H405-M409 PolarHBondContact O-N 2.69Å; V406-M409 PolarHBondContact O-N 2.92Å; M409-R412 PolarHBondContact O-N 3.13Å; M409-F413 HydrophobicContact CG-CD2 4.08Å; M409-F413 HydrophobicContact CG-CE2 3.69Å; M409-F413 WeakPolarHBondContact O-CD2 3.44Å; M409-F413 PolarHBondContact O-N 2.86Å; M409-F413 HydrophobicContact SD-CE2 4.21Å
410	L	48.2	Very low	45.3	Very low	62 Å²	62	83.3 Å²	83.3	33%	0.325	42%	0.422	S	S	.	.	H	α-helix	trans	-62.3	-43.2	175.6	-73.9	171.7	0	0	0	112.5	L384 V406 R412 F413 A414 F480	L384-L410 HydrophobicContact CD1-CD2 3.76Å; V406-L410 HydrophobicContact CG1-CD1 3.95Å; V406-L410 HydrophobicContact CG1-CG 4.42Å; V406-L410 WeakPolarHBondContact O-CB 3.33Å; V406-L410 WeakPolarHBondContact O-CG 3.37Å; V406-L410 PolarHBondContact O-N 3.15Å; L410-R412 VanDerWaalsContact C-N 3.34Å; L410-R412 PolarHBondContact O-N 3.41Å; L410-F413 PolarHBondContact O-N 2.98Å; L410-A414 PolarHBondContact O-N 3.5Å; L410-F480 HydrophobicContact CB-CE2 4.45Å
411	K	54.4	Low	45.7	Very low	128 Å²	128	80.6 Å²	80.6	56%	0.557	41%	0.411	S	S	*	.	H	α-helix	trans	-60.3	-44	175.2	-172.8	-173.4	177.2	-167.1	0	111	Q407 R408 F413 A414 E415	Q407-K411 WeakPolarHBondContact O-CB 3.49Å; Q407-K411 PolarHBondContact O-N 3.14Å; R408-K411 PolarHBondContact O-N 3.12Å; K411-F413 PolarHBondContact O-N 2.96Å; K411-A414 WeakPolarHBondContact O-CB 3.47Å; K411-A414 PolarHBondContact O-N 2.94Å; K411-A414 VanDerWaalsContact O-N 3.15Å; K411-E415 VanDerWaalsContact CE-OE1 3.24Å; K411-E415 WeakPolarHBondContact CE-OE1 3.43Å; K411-E415 IonicContact NZ-OE1 3.87Å; K411-E415 WeakPolarHBondContact O-CG 3.36Å; K411-E415 PolarHBondContact O-N 3.3Å
412	R	51.6	Low	46	Very low	136 Å²	136	79.9 Å²	79.9	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-37.9	178.6	-171.1	54.5	169.7	177.8	-0.8	112.6	R408 M409 L410 A414 E415 I416	R408-R412 WeakPolarHBondContact O-CB 3.47Å; R408-R412 PolarHBondContact O-N 3.42Å; M409-R412 PolarHBondContact O-N 3.13Å; L410-R412 VanDerWaalsContact C-N 3.34Å; L410-R412 PolarHBondContact O-N 3.41Å; R412-A414 VanDerWaalsContact C-N 3.35Å; R412-E415 VanDerWaalsContact CD-OE2 3.27Å; R412-E415 WeakPolarHBondContact CD-OE2 3.21Å; R412-E415 IonicContact CZ-OE2 2.71Å; R412-E415 IonicContact NE-OE2 2.91Å; R412-E415 IonicContact NH1-OE2 2.81Å; R412-E415 PolarHBondContact NH1-OE2 2.94Å; R412-E415 PolarHBondContact O-N 2.88Å; R412-I416 HydrophobicContact CG-CD1 4.13Å; R412-I416 WeakPolarHBondContact O-CD1 3.34Å; R412-I416 VanDerWaalsContact O-CG1 3.27Å; R412-I416 WeakPolarHBondContact O-CG1 3.42Å; R412-I416 PolarHBondContact O-N 3.48Å; R412-I416 VanDerWaalsContact O-N 3.08Å
413	F	50.7	Low	46.5	Very low	72 Å²	72	82.2 Å²	82.2	32%	0.316	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-36	172.2	-77.7	-59	0	0	0	112.7	M409 L410 K411 A417	M409-F413 HydrophobicContact CG-CD2 4.08Å; M409-F413 HydrophobicContact CG-CE2 3.69Å; M409-F413 WeakPolarHBondContact O-CD2 3.44Å; M409-F413 PolarHBondContact O-N 2.86Å; M409-F413 HydrophobicContact SD-CE2 4.21Å; L410-F413 PolarHBondContact O-N 2.98Å; K411-F413 PolarHBondContact O-N 2.96Å; F413-A417 WeakPolarHBondContact O-CB 3.45Å; F413-A417 PolarHBondContact O-N 3.36Å; F413-A417 VanDerWaalsContact O-N 3.09Å
414	A	51.5	Low	46.6	Very low	46 Å²	46	85.9 Å²	85.9	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-46.2	173.5	0	0	0	0	0	112.2	L410 K411 R412 I416 A417 E418	L410-A414 PolarHBondContact O-N 3.5Å; K411-A414 WeakPolarHBondContact O-CB 3.47Å; K411-A414 PolarHBondContact O-N 2.94Å; K411-A414 VanDerWaalsContact O-N 3.15Å; R412-A414 VanDerWaalsContact C-N 3.35Å; A414-I416 VanDerWaalsContact C-N 3.33Å; A414-I416 PolarHBondContact O-N 2.92Å; A414-A417 WeakPolarHBondContact O-CB 3.42Å; A414-A417 PolarHBondContact O-N 3.11Å; A414-A417 VanDerWaalsContact O-N 3.1Å; A414-E418 PolarHBondContact O-N 3.16Å
415	E	53.1	Low	46.5	Very low	53 Å²	53	93.8 Å²	93.8	25%	0.248	45%	0.449	C	S	.	.	H	α-helix	trans	-56.3	-44.3	175.6	-71.8	167.6	-170.2	0	0	112.2	K411 R412 A417 E418 Q419	K411-E415 VanDerWaalsContact CE-OE1 3.24Å; K411-E415 WeakPolarHBondContact CE-OE1 3.43Å; K411-E415 IonicContact NZ-OE1 3.87Å; K411-E415 WeakPolarHBondContact O-CG 3.36Å; K411-E415 PolarHBondContact O-N 3.3Å; R412-E415 VanDerWaalsContact CD-OE2 3.27Å; R412-E415 WeakPolarHBondContact CD-OE2 3.21Å; R412-E415 IonicContact CZ-OE2 2.71Å; R412-E415 IonicContact NE-OE2 2.91Å; R412-E415 IonicContact NH1-OE2 2.81Å; R412-E415 PolarHBondContact NH1-OE2 2.94Å; R412-E415 PolarHBondContact O-N 2.88Å; E415-A417 VanDerWaalsContact C-N 3.34Å; E415-E418 PolarHBondContact O-N 3.19Å; E415-Q419 WeakPolarHBondContact O-CB 3.35Å; E415-Q419 VanDerWaalsContact O-CG 3.24Å; E415-Q419 WeakPolarHBondContact O-CG 3.28Å; E415-Q419 PolarHBondContact O-N 2.81Å
416	I	49	Very low	46.2	Very low	72 Å²	72	93 Å²	93	37%	0.369	47%	0.465	S	S	.	.	H	α-helix	trans	-66.3	-36.8	177.7	-68.7	165.8	0	0	0	111.1	R412 A414 S420	R412-I416 HydrophobicContact CG-CD1 4.13Å; R412-I416 WeakPolarHBondContact O-CD1 3.34Å; R412-I416 VanDerWaalsContact O-CG1 3.27Å; R412-I416 WeakPolarHBondContact O-CG1 3.42Å; R412-I416 PolarHBondContact O-N 3.48Å; R412-I416 VanDerWaalsContact O-N 3.08Å; A414-I416 VanDerWaalsContact C-N 3.33Å; A414-I416 PolarHBondContact O-N 2.92Å; I416-S420 WeakPolarHBondContact O-CB 3.47Å; I416-S420 PolarHBondContact O-N 3.35Å
417	A	48.5	Very low	45.7	Very low	36 Å²	36	100.9 Å²	100.9	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-48.2	175.1	0	0	0	0	0	111.4	F413 A414 E415 S420 V421	F413-A417 WeakPolarHBondContact O-CB 3.45Å; F413-A417 PolarHBondContact O-N 3.36Å; F413-A417 VanDerWaalsContact O-N 3.09Å; A414-A417 WeakPolarHBondContact O-CB 3.42Å; A414-A417 PolarHBondContact O-N 3.11Å; A414-A417 VanDerWaalsContact O-N 3.1Å; E415-A417 VanDerWaalsContact C-N 3.34Å; A417-S420 PolarHBondContact O-N 3.1Å; A417-S420 PolarHBondContact O-OG 3.11Å; A417-V421 PolarHBondContact O-N 3.32Å
418	E	53.1	Low	45.1	Very low	127 Å²	127	101.7 Å²	101.7	59%	0.593	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-46.7	178.9	-71.6	179.7	161.7	0	0	112.3	A414 E415 S420 V421 D422	A414-E418 PolarHBondContact O-N 3.16Å; E415-E418 PolarHBondContact O-N 3.19Å; E418-S420 PolarHBondContact O-N 3.15Å; E418-V421 WeakPolarHBondContact O-CA 3.45Å; E418-V421 WeakPolarHBondContact O-CB 3.45Å; E418-V421 PolarHBondContact O-N 3Å; E418-D422 PolarHBondContact O-N 3.44Å
419	Q	50.2	Low	44.2	Very low	112 Å²	112	98.8 Å²	98.8	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-58.1	-32.6	175.5	-71.7	168.6	22.3	0	0	112.4	E415 V421 S423	E415-Q419 WeakPolarHBondContact O-CB 3.35Å; E415-Q419 VanDerWaalsContact O-CG 3.24Å; E415-Q419 WeakPolarHBondContact O-CG 3.28Å; E415-Q419 PolarHBondContact O-N 2.81Å; Q419-V421 VanDerWaalsContact C-N 3.28Å; Q419-V421 PolarHBondContact O-N 3.44Å; Q419-S423 WeakPolarHBondContact O-CB 3.36Å; Q419-S423 PolarHBondContact O-N 3.38Å; Q419-S423 PolarHBondContact O-OG 3.39Å
420	S	45.6	Very low	43.4	Very low	27 Å²	27	100.5 Å²	100.5	19%	0.189	52%	0.516	C	S	.	.	H	α-helix	trans	-78	-6.5	176	83.6	0	0	0	0	114.9	I416 A417 E418 R424	I416-S420 WeakPolarHBondContact O-CB 3.47Å; I416-S420 PolarHBondContact O-N 3.35Å; A417-S420 PolarHBondContact O-N 3.1Å; A417-S420 PolarHBondContact O-OG 3.11Å; E418-S420 PolarHBondContact O-N 3.15Å; S420-R424 PolarHBondContact O-NE 3.02Å
421	V	43	Very low	42.5	Very low	77 Å²	77	102.1 Å²	102.1	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-100	-45.4	173.3	174.8	0	0	0	0	110.7	A417 E418 Q419 S423 R424 R425	A417-V421 PolarHBondContact O-N 3.32Å; E418-V421 WeakPolarHBondContact O-CA 3.45Å; E418-V421 WeakPolarHBondContact O-CB 3.45Å; E418-V421 PolarHBondContact O-N 3Å; Q419-V421 VanDerWaalsContact C-N 3.28Å; Q419-V421 PolarHBondContact O-N 3.44Å; V421-S423 VanDerWaalsContact C-N 3.3Å; V421-S423 PolarHBondContact O-N 3.06Å; V421-R424 WeakPolarHBondContact O-CB 3.29Å; V421-R424 PolarHBondContact O-N 3Å; V421-R425 PolarHBondContact O-N 2.85Å
422	D	41.5	Very low	41.3	Very low	98 Å²	98	105.6 Å²	105.6	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-65.4	-33.4	177.1	-82.2	-26	0	0	0	112.6	E418 R424 R425 G426	E418-D422 PolarHBondContact O-N 3.44Å; D422-R424 PolarHBondContact O-N 3.33Å; D422-R425 PolarHBondContact O-N 2.9Å; D422-G426 PolarHBondContact O-N 2.82Å
423	S	38.7	Very low	40.1	Very low	82 Å²	82	104.6 Å²	104.6	57%	0.573	56%	0.564	S	S	*	*	H	α-helix	trans	-59.8	-14.1	170.9	-60.3	0	0	0	0	114	Q419 V421	Q419-S423 WeakPolarHBondContact O-CB 3.36Å; Q419-S423 PolarHBondContact O-N 3.38Å; Q419-S423 PolarHBondContact O-OG 3.39Å; V421-S423 VanDerWaalsContact C-N 3.3Å; V421-S423 PolarHBondContact O-N 3.06Å
424	R	36.2	Very low	39.1	Very low	166 Å²	166	112.5 Å²	112.5	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-93.6	-29.3	174.1	-50.6	-176.8	-160.1	-155.9	3.5	112.6	S420 V421 D422 G426	S420-R424 PolarHBondContact O-NE 3.02Å; V421-R424 WeakPolarHBondContact O-CB 3.29Å; V421-R424 PolarHBondContact O-N 3Å; D422-R424 PolarHBondContact O-N 3.33Å; R424-G426 VanDerWaalsContact C-N 3.33Å
425	R	37.4	Very low	38	Very low	195 Å²	195	121.5 Å²	121.5	74%	0.736	62%	0.616	S	S	*	*	H	α-helix	trans	-71.8	-26.5	176.5	-73.8	-179	164.9	-173.6	-5.7	112.9	V421 D422	V421-R425 PolarHBondContact O-N 2.85Å; D422-R425 PolarHBondContact O-N 2.9Å
426	G	36	Very low	36.7	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	3.6	175.9	0	0	0	0	0	116.1	D422 R424	D422-G426 PolarHBondContact O-N 2.82Å; R424-G426 VanDerWaalsContact C-N 3.33Å
427	R	32.1	Very low	35.6	Very low	221 Å²	221	135.1 Å²	135.1	83%	0.834	67%	0.671	S	S	*	*	S	Bend	trans	-124.4	15.7	-173.1	-91.6	-174.1	175.7	-180	0.4	115	D429	R427-D429 VanDerWaalsContact C-N 3.35Å
428	S	32.1	Very low	34.7	Very low	104 Å²	104	139 Å²	139	73%	0.727	70%	0.696	S	S	*	*	S	Bend	trans	-93.2	15.3	178.5	60.8	0	0	0	0	114.4
429	D	29.1	Very low	33.8	Very low	98 Å²	98	137.3 Å²	137.3	52%	0.524	70%	0.704	S	S	.	*			trans	-122.9	149.1	-179.1	-123.3	15.2	0	0	0	109	R427 R661	R427-D429 VanDerWaalsContact C-N 3.35Å; D429-R661 IonicContact OD2-CZ 2.89Å; D429-R661 IonicContact OD2-NH1 2.7Å; D429-R661 PolarHBondContact OD2-NH1 3.37Å; D429-R661 IonicContact OD2-NH2 3.11Å; D429-R661 PolarHBondContact OD2-NH2 3.27Å
430	V	29.3	Very low	32.8	Very low	128 Å²	128	138.8 Å²	138.8	78%	0.776	72%	0.716	S	S	*	*	S	Bend	trans	89.6	89.9	179.3	-168.8	0	0	0	0	116.5
431	S	28.9	Very low	32.2	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	74%	0.744	S	S	*	*			trans	59.8	103.1	147.1	64.2	0	0	0	0	120.7
432	H	29.6	Very low	31.8	Very low	200 Å²	200	148.7 Å²	148.7	93%	0.926	76%	0.763	S	S	*	*			trans	-162.6	67.9	130.9	-108.3	73.9	0	0	0	110.4
433	S	27.5	Very low	31.5	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	77%	0.772	S	S	*	*			trans	-154	89.3	177	53.3	0	0	0	0	113.1
434	R	28.6	Very low	31.1	Very low	238 Å²	238	151.2 Å²	151.2	90%	0.898	78%	0.784	S	S	*	*			trans	-142.4	134.3	161.7	-83.1	-167.5	178.9	-173.6	0.6	110.5
435	R	27.5	Very low	31	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	79%	0.79	S	S	*	*			trans	68.6	118.3	178.3	-50	-179.1	-179.9	-166.7	-0.6	112.1
436	L	27.4	Very low	30.9	Very low	160 Å²	160	146.1 Å²	146.1	84%	0.838	79%	0.792	S	S	*	*			cis	-147.8	138.3	33.4	-72.3	160.9	0	0	0	111.9
437	R	24.7	Very low	30.8	Very low	251 Å²	251	147.7 Å²	147.7	95%	0.947	79%	0.792	S	S	*	*			trans	-150.3	108.6	157.3	-80.6	-162.2	-171.3	-139.7	4.2	109.9
438	S	30	Very low	31	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	79%	0.79	S	S	*	*			trans	171.2	136.4	165.8	52.7	0	0	0	0	106.2
439	A	33.4	Very low	31	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	79%	0.785	S	S	*	*			cis	-152.8	176.1	-6.2	0	0	0	0	0	108.8
440	D	30.5	Very low	31.4	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	80%	0.801	S	S	*	*			trans	-66.7	155.5	-175	-44.7	-88.8	0	0	0	114.1
441	N	33.2	Very low	31.5	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	80%	0.801	S	S	*	*				164.3	153.3	115.1	-89.1	-60.4	0	0	0	116.4
442	L	34.6	Very low	32.2	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	81%	0.805	S	S	*	*			trans	87.1	146.4	156.2	-67.2	147	0	0	0	120.6
443	P	34.1	Very low	32.2	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	80%	0.796	S	S	*	*			trans	-141.7	172	-134.4	39.2	-16.9	0	0	0	119.5
444	C	30.9	Very low	32.7	Very low	122 Å²	122	145 Å²	145	82%	0.824	80%	0.796	S	S	*	*			trans	9.3	138.3	157	-61.2	0	0	0	0	124.7
445	S	34.2	Very low	32.7	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	79%	0.791	S	S	*	*			trans	152.1	150.7	130.4	54.1	0	0	0	0	110.9
446	N	35.7	Very low	32.8	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	79%	0.786	S	S	*	*			cis	-161.9	150.2	-3.6	-115.9	-8.2	0	0	0	112
447	S	33.6	Very low	32.9	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	78%	0.783	S	S	*	*			trans	57.6	152.2	147.1	64.9	0	0	0	0	121.3
448	T	36	Very low	33	Very low	130 Å²	130	131.8 Å²	131.8	80%	0.798	78%	0.777	S	S	*	*			cis	-153.8	162.6	16.8	-22.8	0	0	0	0	113.7
449	S	32.7	Very low	32.7	Very low	89 Å²	89	132 Å²	132	62%	0.622	78%	0.777	S	S	*	*			trans	-59.8	160.2	-176.1	55.9	0	0	0	0	121
450	I	36.4	Very low	32.3	Very low	166 Å²	166	132.8 Å²	132.8	85%	0.851	77%	0.774	S	S	*	*				-167.5	160	108.4	-91.1	155.7	0	0	0	110.1
451	T	32.9	Very low	32.1	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	78%	0.782	S	S	*	*			trans	-120.7	-160.3	-153.9	59.7	0	0	0	0	114.2
452	P	41.6	Very low	31.8	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	78%	0.778	S	S	*	*				-133.3	174.3	-108.9	39.9	-19.5	0	0	0	116.9
453	S	31	Very low	31.3	Very low	105 Å²	105	128.9 Å²	128.9	73%	0.734	77%	0.772	S	S	*	*			trans	-176.5	164.4	141.3	50.7	0	0	0	0	114.5
454	H	37.2	Very low	31	Very low	172 Å²	172	128 Å²	128	80%	0.796	77%	0.774	S	S	*	*			trans	73.8	66.9	169.1	-68.7	-74.9	0	0	0	121.4
455	R	28.7	Very low	30.8	Very low	211 Å²	211	129.6 Å²	129.6	80%	0.796	77%	0.774	S	S	*	*				41.8	108.6	122.2	-67.6	-168.1	174.4	-167.2	-0.9	121.1
456	H	30.9	Very low	30.6	Very low	169 Å²	169	132.9 Å²	132.9	78%	0.782	78%	0.781	S	S	*	*				62.6	135.7	125.6	-55.8	-57.1	0	0	0	120.7
457	S	28.7	Very low	30.2	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	78%	0.776	S	S	*	*			cis	-161.5	123.1	-7.4	46.8	0	0	0	0	111.2
458	S	26.5	Very low	30.2	Very low	118 Å²	118	130 Å²	130	83%	0.825	78%	0.778	S	S	*	*			trans	-82.7	167.9	167.8	42.9	0	0	0	0	112.2
459	C	23.9	Very low	29.9	Very low	120 Å²	120	127.5 Å²	127.5	81%	0.811	76%	0.763	S	S	*	*			trans	-34	135.6	-174.4	-61.4	0	0	0	0	117.7
460	P	25.7	Very low	29.8	Very low	110 Å²	110	128.2 Å²	128.2	71%	0.714	77%	0.766	S	S	*	*			trans	-89.7	117.9	152.9	34.2	-27.4	0	0	0	110.4	V462	P460-V462 HydrophobicContact CB-CG2 3.9Å; P460-V462 HydrophobicContact CG-CG2 4.24Å; P460-V462 PolarHBondContact O-N 3.27Å
461	T	26	Very low	29.7	Very low	151 Å²	151	123.5 Å²	123.5	93%	0.926	75%	0.747	S	S	*	*			trans	-64.8	112.4	159.4	-45.8	0	0	0	0	107.8
462	V	26	Very low	30.1	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.715	73%	0.726	S	S	*	*			trans	-118.4	123.5	-179	-176.9	0	0	0	0	110.9	P460	P460-V462 HydrophobicContact CB-CG2 3.9Å; P460-V462 HydrophobicContact CG-CG2 4.24Å; P460-V462 PolarHBondContact O-N 3.27Å
463	S	25.5	Very low	30	Very low	103 Å²	103	118.6 Å²	118.6	72%	0.72	72%	0.716	S	S	*	*			trans	-45.6	138.7	174.5	-169.2	0	0	0	0	113.1	D465	S463-D465 PolarHBondContact O-N 3.48Å
464	A	27.5	Very low	30.5	Very low	92 Å²	92	119.7 Å²	119.7	76%	0.76	71%	0.71	S	S	*	*			trans	-66.1	118.5	164.3	0	0	0	0	0	109.6
465	D	26.5	Very low	30.9	Very low	155 Å²	155	118.3 Å²	118.3	83%	0.829	70%	0.704	S	S	*	*			trans	-173.2	86.7	152.8	-101.8	-26.5	0	0	0	110.1	S463	S463-D465 PolarHBondContact O-N 3.48Å
466	I	29.1	Very low	31.5	Very low	177 Å²	177	112.6 Å²	112.6	91%	0.908	69%	0.689	S	S	*	*			trans	-97.5	88.8	170.8	-58	-179.5	0	0	0	108.6
467	S	28.8	Very low	32	Very low	97 Å²	97	110.9 Å²	110.9	68%	0.678	68%	0.679	S	S	*	*			trans	-80.1	132	164.8	62.4	0	0	0	0	110.1	T469	S467-T469 PolarHBondContact O-N 3.19Å
468	A	31.8	Very low	33	Very low	92 Å²	92	114.6 Å²	114.6	76%	0.76	68%	0.676	S	S	*	*			trans	-72.4	112.1	177.3	0	0	0	0	0	109.9
469	T	30.3	Very low	33.9	Very low	79 Å²	79	115.9 Å²	115.9	49%	0.485	67%	0.667	S	S	.	*			trans	-77.6	144.7	-175.9	55.6	0	0	0	0	112.3	S467 S471 S472	S467-T469 PolarHBondContact O-N 3.19Å; T469-S471 PolarHBondContact O-N 3.01Å; T469-S471 VanDerWaalsContact O-N 3.08Å; T469-S472 PolarHBondContact O-N 3.1Å; T469-S472 PolarHBondContact O-OG 3.18Å
470	P	31.5	Very low	34.8	Very low	104 Å²	104	115 Å²	115	68%	0.675	65%	0.649	S	S	*	*	H	α-helix	trans	-58.7	-24.2	-174	-27.6	35.4	0	0	0	116.3	S472 V473 Q474	P470-S472 VanDerWaalsContact C-N 3.34Å; P470-S472 PolarHBondContact O-N 3.46Å; P470-V473 PolarHBondContact O-N 2.96Å; P470-Q474 PolarHBondContact O-N 3.13Å
471	S	33.1	Very low	35.8	Very low	66 Å²	66	114.6 Å²	114.6	46%	0.462	64%	0.638	S	S	.	*	H	α-helix	trans	-67.6	-32.9	-178.4	61.6	0	0	0	0	112.9	T469 V473 Q474 Q475	T469-S471 PolarHBondContact O-N 3.01Å; T469-S471 VanDerWaalsContact O-N 3.08Å; S471-V473 VanDerWaalsContact C-N 3.34Å; S471-V473 PolarHBondContact O-N 3.29Å; S471-Q474 PolarHBondContact O-N 3.07Å; S471-Q475 WeakPolarHBondContact O-CG 3.31Å; S471-Q475 PolarHBondContact O-N 3.09Å
472	S	42.5	Very low	36.9	Very low	46 Å²	46	115.7 Å²	115.7	32%	0.322	63%	0.626	S	S	.	*	H	α-helix	trans	-62.9	-40.3	177.5	63.6	0	0	0	0	112.1	T469 P470 Q475 L476	T469-S472 PolarHBondContact O-N 3.1Å; T469-S472 PolarHBondContact O-OG 3.18Å; P470-S472 VanDerWaalsContact C-N 3.34Å; P470-S472 PolarHBondContact O-N 3.46Å; S472-Q475 PolarHBondContact O-N 3.16Å; S472-L476 PolarHBondContact O-N 2.92Å; S472-L476 VanDerWaalsContact O-N 3.12Å
473	V	38.9	Very low	37.7	Very low	94 Å²	94	115.4 Å²	115.4	57%	0.57	62%	0.62	S	S	*	*	H	α-helix	trans	-68	-41	176.3	-177.7	0	0	0	0	111.1	P470 S471 L476 K477	P470-V473 PolarHBondContact O-N 2.96Å; S471-V473 VanDerWaalsContact C-N 3.34Å; S471-V473 PolarHBondContact O-N 3.29Å; V473-L476 PolarHBondContact O-N 3.46Å; V473-K477 WeakPolarHBondContact O-CB 3.21Å; V473-K477 PolarHBondContact O-N 3.3Å
474	Q	42.5	Very low	38.5	Very low	129 Å²	129	111.8 Å²	111.8	60%	0.603	60%	0.595	S	S	*	*	H	α-helix	trans	-65.8	-37.4	176.2	-73.7	-174.4	-18.3	0	0	113.1	P470 S471 K477 R478	P470-Q474 PolarHBondContact O-N 3.13Å; S471-Q474 PolarHBondContact O-N 3.07Å; Q474-K477 PolarHBondContact O-N 3.24Å; Q474-R478 PolarHBondContact O-N 2.76Å; Q474-R478 VanDerWaalsContact O-N 3.11Å
475	Q	43.5	Very low	39.3	Very low	142 Å²	142	110.5 Å²	110.5	66%	0.664	58%	0.584	S	S	*	*	H	α-helix	trans	-65.3	-42.1	174.3	-74.7	-178.2	-8.9	0	0	112	S471 S472 K477 R478 K479	S471-Q475 WeakPolarHBondContact O-CG 3.31Å; S471-Q475 PolarHBondContact O-N 3.09Å; S472-Q475 PolarHBondContact O-N 3.16Å; Q475-K477 VanDerWaalsContact C-N 3.34Å; Q475-K477 PolarHBondContact O-N 3.38Å; Q475-R478 PolarHBondContact O-N 2.92Å; Q475-K479 PolarHBondContact O-N 3.2Å; Q475-K479 VanDerWaalsContact O-N 3.13Å
476	L	41.3	Very low	40.2	Very low	92 Å²	92	105.4 Å²	105.4	48%	0.482	56%	0.561	S	S	.	*	H	α-helix	trans	-62.2	-40	173.4	-85.2	159.7	0	0	0	112.1	S472 V473 K479 F480	S472-L476 PolarHBondContact O-N 2.92Å; S472-L476 VanDerWaalsContact O-N 3.12Å; V473-L476 PolarHBondContact O-N 3.46Å; L476-K479 PolarHBondContact O-N 3.09Å; L476-F480 WeakPolarHBondContact O-CB 3.41Å; L476-F480 PolarHBondContact O-N 3.19Å
477	K	42.3	Very low	40.6	Very low	133 Å²	133	99.4 Å²	99.4	58%	0.578	54%	0.538	S	S	*	.	H	α-helix	trans	-60.7	-46	176.8	-163.3	175.8	-179.3	179.1	0	112.2	V473 Q474 Q475 K479 F480 E481	V473-K477 WeakPolarHBondContact O-CB 3.21Å; V473-K477 PolarHBondContact O-N 3.3Å; Q474-K477 PolarHBondContact O-N 3.24Å; Q475-K477 VanDerWaalsContact C-N 3.34Å; Q475-K477 PolarHBondContact O-N 3.38Å; K477-K479 VanDerWaalsContact C-N 3.32Å; K477-K479 PolarHBondContact O-N 2.78Å; K477-F480 WeakPolarHBondContact O-CB 3.31Å; K477-F480 PolarHBondContact O-N 2.79Å; K477-E481 WeakPolarHBondContact O-CG 3.4Å; K477-E481 PolarHBondContact O-N 3.45Å
478	R	49	Very low	41.1	Very low	188 Å²	188	98.7 Å²	98.7	71%	0.709	53%	0.529	S	S	*	.	H	α-helix	trans	-60.8	-38.4	173.7	-70.5	-178.1	-178.9	-173.9	1.1	112.8	Q474 Q475 E481 Y482	Q474-R478 PolarHBondContact O-N 2.76Å; Q474-R478 VanDerWaalsContact O-N 3.11Å; Q475-R478 PolarHBondContact O-N 2.92Å; R478-E481 PolarHBondContact O-N 3.04Å; R478-Y482 PolarHBondContact O-N 3.26Å
479	K	46.1	Very low	41.6	Very low	146 Å²	146	97.7 Å²	97.7	64%	0.635	52%	0.521	S	S	*	.	H	α-helix	trans	-69.3	-35.2	178.7	-152.4	171.4	-173.8	179	0	111.9	Q475 L476 K477 L483	Q475-K479 PolarHBondContact O-N 3.2Å; Q475-K479 VanDerWaalsContact O-N 3.13Å; L476-K479 PolarHBondContact O-N 3.09Å; K477-K479 VanDerWaalsContact C-N 3.32Å; K477-K479 PolarHBondContact O-N 2.78Å; K479-L483 WeakPolarHBondContact O-CG 3.35Å; K479-L483 PolarHBondContact O-N 2.65Å
480	F	42.8	Very low	42.1	Very low	101 Å²	101	100.2 Å²	100.2	44%	0.443	53%	0.527	S	S	.	.	H	α-helix	trans	-68.8	-42.4	172.9	177.8	-94	0	0	0	112.7	L410 L476 K477 L483 S484	L410-F480 HydrophobicContact CB-CE2 4.45Å; L476-F480 WeakPolarHBondContact O-CB 3.41Å; L476-F480 PolarHBondContact O-N 3.19Å; K477-F480 WeakPolarHBondContact O-CB 3.31Å; K477-F480 PolarHBondContact O-N 2.79Å; F480-L483 PolarHBondContact O-N 3.15Å; F480-S484 WeakPolarHBondContact O-CB 3.43Å; F480-S484 PolarHBondContact O-N 3.37Å; F480-S484 PolarHBondContact O-OG 3.42Å
481	E	46.3	Very low	42.3	Very low	102 Å²	102	98.3 Å²	98.3	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-44.2	175.1	-73.9	162.4	-178.2	0	0	111.3	K477 R478 S484 A485	K477-E481 WeakPolarHBondContact O-CG 3.4Å; K477-E481 PolarHBondContact O-N 3.45Å; R478-E481 PolarHBondContact O-N 3.04Å; E481-S484 PolarHBondContact O-N 2.99Å; E481-A485 WeakPolarHBondContact O-CB 3.1Å; E481-A485 PolarHBondContact O-N 3.03Å
482	Y	50.1	Low	42.2	Very low	173 Å²	173	102.6 Å²	102.6	68%	0.678	54%	0.541	S	S	*	.	H	α-helix	trans	-60.8	-49	175.9	179.3	-97.4	0	0	0	113.2	R478 S484 A485 S486	R478-Y482 PolarHBondContact O-N 3.26Å; Y482-S484 VanDerWaalsContact C-N 3.32Å; Y482-S484 PolarHBondContact O-N 2.94Å; Y482-A485 PolarHBondContact O-N 2.86Å; Y482-S486 WeakPolarHBondContact O-CB 3.44Å; Y482-S486 PolarHBondContact O-N 3.44Å
483	L	43.1	Very low	41.6	Very low	112 Å²	112	105.1 Å²	105.1	59%	0.586	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-37.6	178.9	-71	169.3	0	0	0	111.9	K479 F480 A487	K479-L483 WeakPolarHBondContact O-CG 3.35Å; K479-L483 PolarHBondContact O-N 2.65Å; F480-L483 PolarHBondContact O-N 3.15Å; L483-A487 PolarHBondContact O-N 3.09Å; L483-A487 VanDerWaalsContact O-N 3.11Å
484	S	42.2	Very low	41.2	Very low	28 Å²	28	109.9 Å²	109.9	20%	0.196	57%	0.572	C	S	.	*	H	α-helix	trans	-67.2	-43.9	176.5	-60.2	0	0	0	0	112.2	F480 E481 Y482 A487 V488	F480-S484 WeakPolarHBondContact O-CB 3.43Å; F480-S484 PolarHBondContact O-N 3.37Å; F480-S484 PolarHBondContact O-OG 3.42Å; E481-S484 PolarHBondContact O-N 2.99Å; Y482-S484 VanDerWaalsContact C-N 3.32Å; Y482-S484 PolarHBondContact O-N 2.94Å; S484-A487 PolarHBondContact O-N 3.12Å; S484-V488 WeakPolarHBondContact O-CG2 3.48Å; S484-V488 PolarHBondContact O-N 2.98Å
485	A	44.2	Very low	40.6	Very low	64 Å²	64	109.7 Å²	109.7	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-63.2	-41.9	176.6	0	0	0	0	0	112	E481 Y482 A487 V488 A489	E481-A485 WeakPolarHBondContact O-CB 3.1Å; E481-A485 PolarHBondContact O-N 3.03Å; Y482-A485 PolarHBondContact O-N 2.86Å; A485-A487 PolarHBondContact O-N 3.3Å; A485-V488 PolarHBondContact O-N 3.41Å; A485-A489 PolarHBondContact O-N 3.23Å
486	S	43.9	Very low	40.1	Very low	48 Å²	48	112.6 Å²	112.6	34%	0.336	59%	0.592	S	S	.	*	H	α-helix	trans	-64.2	-39.9	177.9	-163.7	0	0	0	0	112.2	Y482 V488 A489 H490	Y482-S486 WeakPolarHBondContact O-CB 3.44Å; Y482-S486 PolarHBondContact O-N 3.44Å; S486-V488 PolarHBondContact O-N 2.78Å; S486-A489 PolarHBondContact O-N 3.25Å; S486-H490 PolarHBondContact O-N 3.28Å; S486-H490 PolarHBondContact O-ND1 3.38Å
487	A	39.2	Very low	39.6	Very low	52 Å²	52	113.8 Å²	113.8	43%	0.43	61%	0.608	S	S	.	*	H	α-helix	trans	-65	-35	175.8	0	0	0	0	0	113.4	L483 S484 A485	L483-A487 PolarHBondContact O-N 3.09Å; L483-A487 VanDerWaalsContact O-N 3.11Å; S484-A487 PolarHBondContact O-N 3.12Å; A485-A487 PolarHBondContact O-N 3.3Å
488	V	38.6	Very low	39	Very low	82 Å²	82	118.1 Å²	118.1	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-72.2	-43.6	175.6	174.1	0	0	0	0	111.2	S484 A485 S486 H490 G491 M492	S484-V488 WeakPolarHBondContact O-CG2 3.48Å; S484-V488 PolarHBondContact O-N 2.98Å; A485-V488 PolarHBondContact O-N 3.41Å; S486-V488 PolarHBondContact O-N 2.78Å; V488-H490 VanDerWaalsContact C-N 3.28Å; V488-H490 PolarHBondContact O-N 2.91Å; V488-G491 PolarHBondContact O-N 3.14Å; V488-M492 HydrophobicContact CG1-SD 4.45Å
489	A	41.5	Very low	38	Very low	71 Å²	71	116.8 Å²	116.8	59%	0.587	63%	0.627	S	S	*	*	H	α-helix	trans	-59.3	-36.5	179.8	0	0	0	0	0	113.2	A485 S486 G491	A485-A489 PolarHBondContact O-N 3.23Å; S486-A489 PolarHBondContact O-N 3.25Å; A489-G491 VanDerWaalsContact C-N 3.29Å; A489-G491 PolarHBondContact O-N 3.01Å
490	H	41.5	Very low	37.3	Very low	132 Å²	132	115.3 Å²	115.3	61%	0.611	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-2	178.5	-68.9	78.3	0	0	0	114.2	S486 V488	S486-H490 PolarHBondContact O-N 3.28Å; S486-H490 PolarHBondContact O-ND1 3.38Å; V488-H490 VanDerWaalsContact C-N 3.28Å; V488-H490 PolarHBondContact O-N 2.91Å
491	G	34.7	Very low	36.6	Very low	64 Å²	64	115.9 Å²	115.9	66%	0.66	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-7.5	-179.1	0	0	0	0	0	115.7	V488 A489	V488-G491 PolarHBondContact O-N 3.14Å; A489-G491 VanDerWaalsContact C-N 3.29Å; A489-G491 PolarHBondContact O-N 3.01Å
492	M	31.2	Very low	35.9	Very low	155 Å²	155	116.1 Å²	116.1	76%	0.764	66%	0.66	S	S	*	*			trans	-104	-0.2	-172	-59.4	-160.6	87.6	0	0	115.4	V488 K494	V488-M492 HydrophobicContact CG1-SD 4.45Å; M492-K494 PolarHBondContact O-N 2.92Å
493	S	31	Very low	35.2	Very low	100 Å²	100	114.1 Å²	114.1	70%	0.699	66%	0.661	S	S	*	*			trans	-85.1	81.3	176.8	43.4	0	0	0	0	112.6
494	K	30.4	Very low	34.7	Very low	193 Å²	193	118.6 Å²	118.6	84%	0.839	67%	0.67	S	S	*	*			trans	-67.5	129.9	167.6	-73.4	-171.7	177	-175.8	0	110.8	M492 K496	M492-K494 PolarHBondContact O-N 2.92Å; K494-K496 PolarHBondContact O-N 3.26Å
495	P	29.3	Very low	34.3	Very low	125 Å²	125	125.2 Å²	125.2	81%	0.812	70%	0.7	S	S	*	*			trans	-69.9	124.4	166	29.2	-31.9	0	0	0	109.3	S497	P495-S497 PolarHBondContact O-N 2.67Å
496	K	33.6	Very low	34	Very low	204 Å²	204	127.2 Å²	127.2	89%	0.887	70%	0.702	S	S	*	*			trans	-76.7	110.8	171.1	-75.1	-175.8	176.9	179.8	0	109.1	K494	K494-K496 PolarHBondContact O-N 3.26Å
497	S	29.8	Very low	33.6	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	72%	0.723	S	S	*	*			trans	-64.3	136.3	165.6	51.5	0	0	0	0	110	P495	P495-S497 PolarHBondContact O-N 2.67Å
498	R	29.6	Very low	33.5	Very low	224 Å²	224	134.8 Å²	134.8	85%	0.845	74%	0.735	S	S	*	*			trans	-121.4	88.4	175.2	-166.2	174.3	-177.1	174.4	-0.3	109.3	T500	R498-T500 HydrophobicContact CG-CG2 4.48Å
499	N	27.9	Very low	33.4	Very low	160 Å²	160	138 Å²	138	86%	0.856	75%	0.75	S	S	*	*			trans	-75.9	128.8	162.5	-79	-6.7	0	0	0	108.5
500	T	33.3	Very low	33.3	Very low	116 Å²	116	139.5 Å²	139.5	71%	0.712	76%	0.756	S	S	*	*			trans	-138.8	109.6	162.2	47.4	0	0	0	0	108.9	R498	R498-T500 HydrophobicContact CG-CG2 4.48Å
501	S	28	Very low	33.4	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	76%	0.763	S	S	*	*			trans	-90.3	172.4	168.2	49.3	0	0	0	0	111.2
502	S	31.3	Very low	33.6	Very low	106 Å²	106	141 Å²	141	74%	0.741	77%	0.768	S	S	*	*			trans	81	123.9	167.6	64.8	0	0	0	0	120.1
503	D	35	Very low	33.8	Very low	131 Å²	131	145 Å²	145	70%	0.701	78%	0.775	S	S	*	*			trans	87.6	106.9	133.7	-69.8	8.7	0	0	0	124.7
504	R	32.7	Very low	34.3	Very low	206 Å²	206	145 Å²	145	78%	0.777	77%	0.772	S	S	*	*				84.1	119.4	127.6	-70.9	178.3	176.1	179.8	-1.4	121.7
505	M	34.4	Very low	34.6	Very low	167 Å²	167	142 Å²	142	82%	0.823	77%	0.771	S	S	*	*			trans	66	146	142.4	-65.6	174.9	168.5	0	0	116.9
506	D	36.8	Very low	34.9	Very low	106 Å²	106	140.4 Å²	140.4	57%	0.567	77%	0.767	S	S	*	*			cis	-154.4	159.8	11.9	-140.4	-11.4	0	0	0	110.4
507	K	35.2	Very low	34.9	Very low	176 Å²	176	141.3 Å²	141.3	77%	0.765	77%	0.765	S	S	*	*			trans	37.5	145.6	147.6	-71.4	156.1	-162.5	148.7	0	122
508	A	37.2	Very low	35.1	Very low	83 Å²	83	146.1 Å²	146.1	69%	0.686	77%	0.765	S	S	*	*			cis	-168.5	-177.2	-0.3	0	0	0	0	0	111.3
509	N	36.6	Very low	35.1	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	76%	0.759	S	S	*	*			trans	86.8	69.7	163.7	-61.3	-7.5	0	0	0	119.8
510	S	39.7	Very low	35.3	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	75%	0.751	S	S	*	*				-21	178.4	119.9	57.4	0	0	0	0	119
511	P	43.3	Very low	35.1	Very low	117 Å²	117	140 Å²	140	76%	0.76	76%	0.756	S	S	*	*			cis	-123.5	-165.3	-10.8	26.4	-1.5	0	0	0	110.5
512	S	39.4	Very low	35.3	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	75%	0.754	S	S	*	*			cis	-175.3	161.5	36	40.2	0	0	0	0	107.3
513	R	35.2	Very low	35.2	Very low	238 Å²	238	142.4 Å²	142.4	90%	0.898	75%	0.752	S	S	*	*			cis	-177.6	170.5	-21.3	-127	-139.2	156.2	175.1	-7.2	104
514	P	40.9	Very low	35	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	75%	0.754	S	S	*	*			trans	-131.9	-168.6	-146.5	44.8	-30.2	0	0	0	114.1
515	T	37.2	Very low	34.8	Very low	130 Å²	130	136.9 Å²	136.9	80%	0.798	75%	0.751	S	S	*	*			trans	179.8	129.3	135.2	30.7	0	0	0	0	108.1
516	A	35.9	Very low	34.5	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	75%	0.745	S	S	*	*				62.1	136	66.6	0	0	0	0	0	112.7
517	R	34.3	Very low	34.1	Very low	223 Å²	223	134.8 Å²	134.8	84%	0.842	76%	0.756	S	S	*	*			cis	-166.7	144	15.4	-138.5	179.9	-173.6	-177.6	2.1	111.4
518	R	32.6	Very low	33.9	Very low	217 Å²	217	130.7 Å²	130.7	82%	0.819	75%	0.749	S	S	*	*			trans	59	125.7	138.2	-103.2	-175.2	-175.5	-166.3	-0.5	124.3
519	S	30	Very low	33.5	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	76%	0.755	S	S	*	*			trans	85.5	142.2	130	46	0	0	0	0	124.4
520	S	32.7	Very low	33.2	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	75%	0.749	S	S	*	*			trans	72.9	108.1	151.6	50.7	0	0	0	0	122.2
521	E	29.7	Very low	32.7	Very low	171 Å²	171	131.8 Å²	131.8	80%	0.799	75%	0.752	S	S	*	*				79.1	135.1	122.9	-69.9	-177.1	156.6	0	0	123.8
522	M	32.2	Very low	32	Very low	152 Å²	152	129.8 Å²	129.8	75%	0.749	74%	0.741	S	S	*	*			trans	75.2	119.4	146.7	-72.7	-172.3	-172.6	0	0	123.1
523	T	28.5	Very low	31.5	Very low	117 Å²	117	134.6 Å²	134.6	72%	0.718	74%	0.744	S	S	*	*			trans	78.3	139.4	134.3	52.1	0	0	0	0	122.7
524	T	30.6	Very low	31.2	Very low	121 Å²	121	128 Å²	128	74%	0.742	73%	0.733	S	S	*	*			trans	58.7	107.9	150.8	48.3	0	0	0	0	117.9
525	S	27.7	Very low	30.4	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	74%	0.742	S	S	*	*				105.7	157	58.6	64.5	0	0	0	0	111.9
526	S	29.8	Very low	30	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	73%	0.731	S	S	*	*			trans	79.6	116.6	175	82.8	0	0	0	0	115.8
527	T	28	Very low	29.6	Very low	130 Å²	130	131 Å²	131	80%	0.798	73%	0.731	S	S	*	*				77.8	139.1	106.7	55.7	0	0	0	0	114.5
528	S	30	Very low	29.3	Very low	90 Å²	90	126.5 Å²	126.5	63%	0.629	73%	0.728	S	S	*	*			cis	-169	174.7	7.3	46.6	0	0	0	0	110.4
529	N	29.6	Very low	28.9	Very low	150 Å²	150	125.8 Å²	125.8	80%	0.802	73%	0.731	S	S	*	*			trans	69.2	150	153.2	-65.8	-12.9	0	0	0	117.9
530	S	29.4	Very low	28.8	Very low	99 Å²	99	124.6 Å²	124.6	69%	0.692	74%	0.736	S	S	*	*			cis	-168.6	168.8	-1.4	37.1	0	0	0	0	111.9
531	S	30.1	Very low	28.4	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	74%	0.742	S	S	*	*			trans	76.1	147	155.5	78.5	0	0	0	0	118.8
532	S	27.8	Very low	28.4	Very low	76 Å²	76	125.7 Å²	125.7	53%	0.531	74%	0.744	S	S	.	*			cis	-175.5	171.5	-16.6	45.6	0	0	0	0	111.7
533	Y	29.1	Very low	28.1	Very low	212 Å²	212	123.3 Å²	123.3	83%	0.831	74%	0.742	S	S	*	*			trans	76.1	142.8	170.1	-48.2	-67.4	0	0	0	117.2
534	C	28.7	Very low	28.2	Very low	100 Å²	100	128.6 Å²	128.6	68%	0.676	75%	0.751	S	S	*	*			cis	-153	141.7	-12.5	-103.1	0	0	0	0	107.5
535	L	24.3	Very low	28	Very low	161 Å²	161	129.8 Å²	129.8	84%	0.843	75%	0.752	S	S	*	*				46	133.4	96.8	-74.3	169.4	0	0	0	115.5
536	S	28.3	Very low	28.1	Very low	81 Å²	81	131 Å²	131	57%	0.566	76%	0.76	S	S	*	*			cis	-165.4	177.7	11.1	55.6	0	0	0	0	114.7
537	D	28.7	Very low	27.9	Very low	140 Å²	140	131.8 Å²	131.8	75%	0.749	76%	0.761	S	S	*	*			trans	71.1	147.3	149.3	-54.4	-33.3	0	0	0	121.8
538	V	27.9	Very low	28.1	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	77%	0.766	S	S	*	*			cis	-157.1	155.1	-9.1	124.6	0	0	0	0	110.1
539	F	24.6	Very low	28	Very low	202 Å²	202	139.7 Å²	139.7	89%	0.886	78%	0.775	S	S	*	*			trans	-85.5	158.4	173.9	-89.3	-97.4	0	0	0	113.3
540	G	28.4	Very low	28.2	Very low	78 Å²	78	139.9 Å²	139.9	80%	0.804	78%	0.776	S	S	*	*			trans	-156.4	105.5	168.6	0	0	0	0	0	113.7
541	D	24	Very low	28.2	Very low	155 Å²	155	143.1 Å²	143.1	83%	0.829	78%	0.78	S	S	*	*			trans	-80.3	145	169.9	-71.5	-53.5	0	0	0	111.7
542	V	29.6	Very low	28.2	Very low	137 Å²	137	143.1 Å²	143.1	83%	0.83	78%	0.78	S	S	*	*			trans	-144.4	122.3	144	-177	0	0	0	0	109.5	Y544	V542-Y544 HydrophobicContact CG1-CD2 4.48Å
543	S	24.9	Very low	28.4	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	79%	0.788	S	S	*	*			trans	-96.6	150.5	166.1	55.1	0	0	0	0	110.7
544	Y	31.2	Very low	28.5	Very low	227 Å²	227	140.3 Å²	140.3	89%	0.89	79%	0.786	S	S	*	*			trans	-133.6	128.6	157.2	-117.2	-89.2	0	0	0	111.4	V542	V542-Y544 HydrophobicContact CG1-CD2 4.48Å
545	L	25.7	Very low	28.3	Very low	146 Å²	146	140.1 Å²	140.1	76%	0.764	79%	0.786	S	S	*	*			trans	-80.6	151.6	175.9	-69	151.3	0	0	0	110
546	S	30.3	Very low	28.6	Very low	126 Å²	126	141.1 Å²	141.1	88%	0.881	79%	0.787	S	S	*	*				-164.8	125.9	119	-90.9	0	0	0	0	109.8
547	T	26.3	Very low	28.7	Very low	115 Å²	115	142.7 Å²	142.7	71%	0.706	80%	0.798	S	S	*	*			trans	-85.7	153.4	171.1	47.2	0	0	0	0	110.3
548	D	32.1	Very low	28.6	Very low	169 Å²	169	142.7 Å²	142.7	90%	0.904	80%	0.803	S	S	*	*			trans	-149.2	152.5	133.1	-93.2	-36.6	0	0	0	110.3
549	R	27.1	Very low	28.5	Very low	217 Å²	217	141 Å²	141	82%	0.819	80%	0.802	S	S	*	*			trans	-109.2	154.7	-176.2	-68.4	174.6	172.3	171.2	-3.6	110.1
550	D	33.7	Very low	28.8	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	80%	0.801	S	S	*	*			trans	-177	106.6	142.8	-84.8	-25.5	0	0	0	105
551	E	29	Very low	28.9	Very low	167 Å²	167	142 Å²	142	78%	0.78	80%	0.8	S	S	*	*				82.3	143.5	68.4	-74.7	-150.6	171.9	0	0	116
552	S	31.3	Very low	29.2	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	80%	0.8	S	S	*	*			trans	72.8	111.6	175.6	78	0	0	0	0	117
553	S	30.4	Very low	29.2	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	79%	0.792	S	S	*	*				87.2	138.8	91.5	69.1	0	0	0	0	113.2
554	T	31.5	Very low	29.4	Very low	128 Å²	128	144.5 Å²	144.5	79%	0.785	80%	0.802	S	S	*	*			cis	-158.3	152.9	3.1	7.8	0	0	0	0	110.5
555	S	26.2	Very low	29.2	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	80%	0.798	S	S	*	*			trans	-25.1	174	157.9	49.2	0	0	0	0	122.5
556	E	29.9	Very low	29.4	Very low	183 Å²	183	143.7 Å²	143.7	86%	0.855	80%	0.8	S	S	*	*			trans	93.7	139.3	164.9	-60.4	-171.9	168.9	0	0	117.4
557	S	30.8	Very low	29.4	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	80%	0.798	S	S	*	*			cis	-152.9	178.3	-11.6	61	0	0	0	0	111.8
558	T	25.1	Very low	29.7	Very low	140 Å²	140	145.5 Å²	145.5	86%	0.859	80%	0.798	S	S	*	*			trans	-122.6	167.2	-175	-17	0	0	0	0	111.6
559	A	26.6	Very low	29.5	Very low	93 Å²	93	147 Å²	147	77%	0.769	80%	0.797	S	S	*	*			trans	89.9	143.6	179.9	0	0	0	0	0	114.4
560	S	30.8	Very low	29.6	Very low	124 Å²	124	146.1 Å²	146.1	87%	0.867	80%	0.799	S	S	*	*			cis	-142.5	172.1	39.8	-74	0	0	0	0	117
561	K	30.7	Very low	29.6	Very low	178 Å²	178	145.7 Å²	145.7	77%	0.774	80%	0.795	S	S	*	*			trans	-105.5	179.1	-175.1	-74.7	177	174.6	176.1	0	112.8
562	Y	30.2	Very low	29.5	Very low	214 Å²	214	142.5 Å²	142.5	84%	0.839	80%	0.797	S	S	*	*			trans	87.4	153.4	160.3	-64	-89.5	0	0	0	118
563	A	28.7	Very low	29.6	Very low	80 Å²	80	142.7 Å²	142.7	66%	0.661	80%	0.799	S	S	*	*			cis	174	137.9	-39.2	0	0	0	0	0	108.9
564	V	29.1	Very low	29.6	Very low	152 Å²	152	141 Å²	141	92%	0.921	80%	0.798	S	S	*	*			trans	-146.3	132.1	156.2	-177.7	0	0	0	0	110.8
565	Q	28.8	Very low	29.6	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	80%	0.804	S	S	*	*			trans	-105.1	149.3	169.8	-63.3	172.6	-15.6	0	0	110.8
566	K	29.1	Very low	29.8	Very low	185 Å²	185	147.8 Å²	147.8	80%	0.804	81%	0.812	S	S	*	*				157.1	133.6	119.9	-92.3	178	173.1	174.7	0	112.5
567	L	29.3	Very low	29.6	Very low	163 Å²	163	145.5 Å²	145.5	85%	0.853	81%	0.813	S	S	*	*				-178.7	98.3	115.7	-93.9	158.9	0	0	0	111.2
568	T	32.5	Very low	29.4	Very low	116 Å²	116	149.7 Å²	149.7	71%	0.712	82%	0.817	S	S	*	*			trans	1.8	130.2	144.7	41.5	0	0	0	0	120
569	K	28.1	Very low	29.6	Very low	200 Å²	200	152.5 Å²	152.5	87%	0.87	82%	0.823	S	S	*	*				69.2	109.5	69.1	-97.1	-167.3	176.9	-178.1	0	116.5
570	K	29.4	Very low	29.5	Very low	199 Å²	199	152.8 Å²	152.8	87%	0.865	83%	0.825	S	S	*	*			trans	162.4	147.1	148.5	-98.9	175.8	-179.6	-176	0	108
571	I	33.6	Very low	29.4	Very low	146 Å²	146	153.6 Å²	153.6	75%	0.749	83%	0.825	S	S	*	*			cis	-137.1	156.9	12	-81.7	111.3	0	0	0	109.8
572	A	28.4	Very low	29.1	Very low	100 Å²	100	154.6 Å²	154.6	83%	0.826	83%	0.829	S	S	*	*			trans	-138.2	120.4	160.2	0	0	0	0	0	110.4
573	S	32.8	Very low	28.8	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	83%	0.831	S	S	*	*			trans	169.8	141.9	161	53.3	0	0	0	0	111.7
574	G	29.1	Very low	28.7	Very low	66 Å²	66	153.9 Å²	153.9	68%	0.68	84%	0.838	S	S	*	*			trans	110.5	102.8	149.5	0	0	0	0	0	118.6
575	D	33.1	Very low	28.6	Very low	171 Å²	171	155 Å²	155	91%	0.914	83%	0.833	S	S	*	*			trans	70.9	134	138.9	-52.3	-29.8	0	0	0	123.6
576	K	28.7	Very low	28.5	Very low	195 Å²	195	153 Å²	153	85%	0.848	84%	0.835	S	S	*	*			trans	-101.3	160	173	-66.9	177.3	176.3	175.9	0	110
577	P	27.6	Very low	28.4	Very low	134 Å²	134	148.3 Å²	148.3	87%	0.87	83%	0.83	S	S	*	*				-134.4	170.3	114.6	26.1	-9.2	0	0	0	114.4
578	K	26.4	Very low	28.8	Very low	202 Å²	202	143.8 Å²	143.8	88%	0.878	81%	0.813	S	S	*	*			trans	-84.4	136.4	-172.7	-56.5	165.8	-179.2	172.2	0	111.8
579	M	28.8	Very low	28.8	Very low	200 Å²	200	140.4 Å²	140.4	99%	0.985	80%	0.801	S	S	*	*			trans	-143.1	150.5	140.2	-79.1	-151.9	-173.6	0	0	109.4
580	A	25.2	Very low	29.1	Very low	98 Å²	98	135 Å²	135	81%	0.81	78%	0.781	S	S	*	*			trans	-112.9	125.4	-171.7	0	0	0	0	0	111.7
581	T	26.7	Very low	29.7	Very low	142 Å²	142	129.7 Å²	129.7	87%	0.871	77%	0.765	S	S	*	*			trans	-147.5	148	155.2	36.8	0	0	0	0	109	A583	T581-A583 PolarHBondContact O-N 2.76Å
582	K	24.9	Very low	29.9	Very low	198 Å²	198	126.8 Å²	126.8	86%	0.861	75%	0.748	S	S	*	*			trans	-66.4	120.7	-176.3	-67.9	171.6	176.1	174.9	0	110.6
583	A	24.6	Very low	30.4	Very low	105 Å²	105	124.4 Å²	124.4	87%	0.868	72%	0.721	S	S	*	*			trans	-89.6	108.6	159.8	0	0	0	0	0	108.2	T581	T581-A583 PolarHBondContact O-N 2.76Å
584	Q	26.4	Very low	30.8	Very low	175 Å²	175	123 Å²	123	82%	0.818	70%	0.704	S	S	*	*			trans	-99.6	118	-179.6	-166.4	164.3	-25.7	0	0	108.1
585	E	26.6	Very low	31.7	Very low	176 Å²	176	122.8 Å²	122.8	82%	0.822	70%	0.696	S	S	*	*			trans	-60.7	143.2	-179.1	-65.6	-175.7	141.5	0	0	111.1	A587	E585-A587 PolarHBondContact O-N 3.03Å
586	P	26.6	Very low	32.1	Very low	128 Å²	128	119.5 Å²	119.5	83%	0.831	68%	0.678	S	S	*	*			trans	-72.8	97	-177.8	29.5	-33.8	0	0	0	110.4	S588	P586-S588 PolarHBondContact O-N 3.27Å; P586-S588 VanDerWaalsContact O-N 3.15Å
587	A	28.5	Very low	32.7	Very low	86 Å²	86	112.9 Å²	112.9	71%	0.711	65%	0.652	S	S	*	*			trans	-57.1	118.4	169.8	0	0	0	0	0	109.7	E585	E585-A587 PolarHBondContact O-N 3.03Å
588	S	35.9	Very low	33.7	Very low	69 Å²	69	110.3 Å²	110.3	48%	0.483	63%	0.628	S	S	.	*			trans	-54.8	153.1	-167.2	58.3	0	0	0	0	115.5	P586 L590 T591	P586-S588 PolarHBondContact O-N 3.27Å; P586-S588 VanDerWaalsContact O-N 3.15Å; S588-L590 PolarHBondContact O-N 3.03Å; S588-T591 PolarHBondContact O-N 3.17Å; S588-T591 PolarHBondContact O-OG1 3.33Å
589	G	32.4	Very low	34.5	Very low	44 Å²	44	107.7 Å²	107.7	45%	0.454	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.3	-12	173.5	0	0	0	0	0	115.9	T591 E592 M593	G589-T591 PolarHBondContact O-N 3.2Å; G589-E592 PolarHBondContact O-N 2.86Å; G589-M593 PolarHBondContact O-N 2.97Å
590	L	36.1	Very low	35.1	Very low	88 Å²	88	104 Å²	104	46%	0.461	60%	0.595	S	S	.	*	H	α-helix	trans	-54.8	-36.8	165.7	-172	64.4	0	0	0	112.3	S588 M593 N594	S588-L590 PolarHBondContact O-N 3.03Å; L590-M593 HydrophobicContact CD1-CE 3.69Å; L590-N594 WeakPolarHBondContact O-CB 3.4Å; L590-N594 VanDerWaalsContact O-CG 3.29Å; L590-N594 PolarHBondContact O-N 3.41Å; L590-N594 VanDerWaalsContact O-N 3.1Å; L590-N594 PolarHBondContact O-ND2 3.45Å
591	T	40.6	Very low	36	Very low	86 Å²	86	105.6 Å²	105.6	53%	0.528	58%	0.58	S	S	.	*	H	α-helix	trans	-69.9	-36.7	178.1	-52.4	0	0	0	0	111.7	S588 G589 A595	S588-T591 PolarHBondContact O-N 3.17Å; S588-T591 PolarHBondContact O-OG1 3.33Å; G589-T591 PolarHBondContact O-N 3.2Å; T591-A595 PolarHBondContact O-N 2.77Å; T591-A595 VanDerWaalsContact O-N 3.12Å
592	E	38.6	Very low	36.9	Very low	86 Å²	86	103.8 Å²	103.8	40%	0.402	56%	0.562	S	S	.	*	H	α-helix	trans	-71.2	-46.2	179.3	-55.6	-164.4	83	0	0	111.8	G589 N594 A595 L596 R712	G589-E592 PolarHBondContact O-N 2.86Å; E592-N594 VanDerWaalsContact C-N 3.31Å; E592-N594 PolarHBondContact O-N 3.1Å; E592-A595 WeakPolarHBondContact O-CB 3.35Å; E592-A595 PolarHBondContact O-N 2.7Å; E592-A595 VanDerWaalsContact O-N 3.14Å; E592-L596 PolarHBondContact O-N 3.07Å; E592-R712 IonicContact OE1-CZ 3.74Å; E592-R712 IonicContact OE1-NE 3.32Å; E592-R712 PolarHBondContact OE1-NE 3.37Å; E592-R712 IonicContact OE1-NH2 3.54Å; E592-R712 PolarHBondContact OE1-NH2 3.47Å
593	M	37.9	Very low	37.8	Very low	49 Å²	49	98.8 Å²	98.8	24%	0.241	55%	0.545	C	S	.	.	H	α-helix	trans	-61.4	-39.3	176.4	-176.7	174.4	54.5	0	0	111.8	G589 L590 L596 L597 A792	G589-M593 PolarHBondContact O-N 2.97Å; L590-M593 HydrophobicContact CD1-CE 3.69Å; M593-L596 PolarHBondContact O-N 3.07Å; M593-L597 HydrophobicContact CG-CD1 4.36Å; M593-L597 WeakPolarHBondContact O-CG 3.34Å; M593-L597 PolarHBondContact O-N 3.17Å; M593-A792 HydrophobicContact CE-CB 4.19Å; M593-A792 WeakPolarHBondContact CE-O 3.49Å; M593-A792 HydrophobicContact SD-CB 3.93Å
594	N	43	Very low	38.5	Very low	84 Å²	84	101.8 Å²	101.8	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-40.7	172.9	-80.2	-41.1	0	0	0	112.5	L590 E592 L596 E598	L590-N594 WeakPolarHBondContact O-CB 3.4Å; L590-N594 VanDerWaalsContact O-CG 3.29Å; L590-N594 PolarHBondContact O-N 3.41Å; L590-N594 VanDerWaalsContact O-N 3.1Å; L590-N594 PolarHBondContact O-ND2 3.45Å; E592-N594 VanDerWaalsContact C-N 3.31Å; E592-N594 PolarHBondContact O-N 3.1Å; N594-L596 VanDerWaalsContact C-N 3.3Å; N594-L596 PolarHBondContact O-N 2.93Å; N594-E598 WeakPolarHBondContact O-CB 3.34Å; N594-E598 PolarHBondContact O-N 3.3Å
595	A	46.2	Very low	39.4	Very low	62 Å²	62	97.3 Å²	97.3	51%	0.512	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-33.9	175.1	0	0	0	0	0	112.7	T591 E592 K599	T591-A595 PolarHBondContact O-N 2.77Å; T591-A595 VanDerWaalsContact O-N 3.12Å; E592-A595 WeakPolarHBondContact O-CB 3.35Å; E592-A595 PolarHBondContact O-N 2.7Å; E592-A595 VanDerWaalsContact O-N 3.14Å; A595-K599 PolarHBondContact O-N 3.45Å
596	L	42	Very low	40.1	Very low	102 Å²	102	97.2 Å²	97.2	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-72.4	-44	178.3	-139.1	158.1	0	0	0	111.4	E592 M593 N594 E598 K599 F600	E592-L596 PolarHBondContact O-N 3.07Å; M593-L596 PolarHBondContact O-N 3.07Å; N594-L596 VanDerWaalsContact C-N 3.3Å; N594-L596 PolarHBondContact O-N 2.93Å; L596-E598 VanDerWaalsContact C-N 3.29Å; L596-E598 PolarHBondContact O-N 3.32Å; L596-K599 PolarHBondContact O-N 3.31Å; L596-F600 HydrophobicContact CD2-CD2 3.94Å; L596-F600 HydrophobicContact CD2-CE2 3.72Å; L596-F600 WeakPolarHBondContact O-CD2 3.13Å; L596-F600 PolarHBondContact O-N 3.19Å
597	L	42.4	Very low	40.7	Very low	56 Å²	56	98.3 Å²	98.3	29%	0.293	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-37.2	172.3	-72.5	169.6	0	0	0	112.3	M593 F600 R601	M593-L597 HydrophobicContact CG-CD1 4.36Å; M593-L597 WeakPolarHBondContact O-CG 3.34Å; M593-L597 PolarHBondContact O-N 3.17Å; L597-F600 PolarHBondContact O-N 2.82Å; L597-R601 PolarHBondContact O-N 3.05Å
598	E	47.9	Very low	41.1	Very low	80 Å²	80	97.1 Å²	97.1	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-70.9	-36.1	179.2	-160.8	56.4	-152.3	0	0	112.6	N594 L596 F600 R601 Q602	N594-E598 WeakPolarHBondContact O-CB 3.34Å; N594-E598 PolarHBondContact O-N 3.3Å; L596-E598 VanDerWaalsContact C-N 3.29Å; L596-E598 PolarHBondContact O-N 3.32Å; E598-F600 VanDerWaalsContact C-N 3.33Å; E598-F600 PolarHBondContact O-N 2.94Å; E598-R601 PolarHBondContact O-N 3.3Å; E598-R601 WeakPolarHBondContact OE2-CD 3.32Å; E598-R601 IonicContact OE2-CZ 3.7Å; E598-R601 IonicContact OE2-NH1 2.91Å; E598-R601 PolarHBondContact OE2-NH1 2.9Å; E598-Q602 WeakPolarHBondContact O-CG 3.34Å; E598-Q602 PolarHBondContact O-N 3.24Å
599	K	43.9	Very low	41.2	Very low	148 Å²	148	96.8 Å²	96.8	64%	0.643	49%	0.489	S	S	*	.	H	α-helix	trans	-58.7	-42.2	168.2	-89.9	-174.3	172.2	-177	0	112.3	A595 L596 Q602 N603	A595-K599 PolarHBondContact O-N 3.45Å; L596-K599 PolarHBondContact O-N 3.31Å; K599-Q602 PolarHBondContact O-N 3.36Å; K599-N603 PolarHBondContact O-N 3.2Å
600	F	40.6	Very low	41.3	Very low	121 Å²	121	98.3 Å²	98.3	53%	0.531	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-40.3	176	-90.9	-77.4	0	0	0	112.6	L596 L597 E598 N603 R604	L596-F600 HydrophobicContact CD2-CD2 3.94Å; L596-F600 HydrophobicContact CD2-CE2 3.72Å; L596-F600 WeakPolarHBondContact O-CD2 3.13Å; L596-F600 PolarHBondContact O-N 3.19Å; L597-F600 PolarHBondContact O-N 2.82Å; E598-F600 VanDerWaalsContact C-N 3.33Å; E598-F600 PolarHBondContact O-N 2.94Å; F600-N603 PolarHBondContact O-N 2.9Å; F600-R604 PolarHBondContact O-N 2.96Å
601	R	44.9	Very low	41.2	Very low	132 Å²	132	102.1 Å²	102.1	50%	0.498	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-45.8	173.6	-69.8	-174.5	-171.3	114.3	4.1	112	L597 E598 N603 R604 S605	L597-R601 PolarHBondContact O-N 3.05Å; E598-R601 PolarHBondContact O-N 3.3Å; E598-R601 WeakPolarHBondContact OE2-CD 3.32Å; E598-R601 IonicContact OE2-CZ 3.7Å; E598-R601 IonicContact OE2-NH1 2.91Å; E598-R601 PolarHBondContact OE2-NH1 2.9Å; R601-N603 VanDerWaalsContact C-N 3.35Å; R601-N603 PolarHBondContact O-N 3.29Å; R601-R604 PolarHBondContact O-N 3.26Å; R601-S605 PolarHBondContact O-N 2.89Å; R601-S605 PolarHBondContact O-OG 2.92Å
602	Q	45.2	Very low	40.9	Very low	105 Å²	105	102.6 Å²	102.6	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-40.2	178.4	-70.4	173.7	12.2	0	0	112.5	E598 K599 S605 R606	E598-Q602 WeakPolarHBondContact O-CG 3.34Å; E598-Q602 PolarHBondContact O-N 3.24Å; K599-Q602 PolarHBondContact O-N 3.36Å; Q602-S605 PolarHBondContact O-N 3.34Å; Q602-R606 WeakPolarHBondContact O-CB 3.44Å; Q602-R606 WeakPolarHBondContact O-CG 2.96Å; Q602-R606 PolarHBondContact O-N 3.21Å
603	N	42.7	Very low	40.7	Very low	93 Å²	93	103.7 Å²	103.7	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-68.3	-38.6	176.1	-77.2	-6.1	0	0	0	112.7	K599 F600 R601 R606 R607	K599-N603 PolarHBondContact O-N 3.2Å; F600-N603 PolarHBondContact O-N 2.9Å; R601-N603 VanDerWaalsContact C-N 3.35Å; R601-N603 PolarHBondContact O-N 3.29Å; N603-R606 PolarHBondContact O-N 2.88Å; N603-R607 PolarHBondContact O-N 3.06Å
604	R	40.6	Very low	40.5	Very low	167 Å²	167	108.9 Å²	108.9	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-66.9	-40.5	174.7	-167.7	174.9	-177.8	179.4	-0.5	112	F600 R601 R607 A608 D800	F600-R604 PolarHBondContact O-N 2.96Å; R601-R604 PolarHBondContact O-N 3.26Å; R604-R607 PolarHBondContact O-N 2.94Å; R604-A608 PolarHBondContact O-N 3.26Å; R604-D800 IonicContact CZ-OD2 2.82Å; R604-D800 VanDerWaalsContact CZ-OD2 3.3Å; R604-D800 IonicContact NH1-OD2 3.2Å; R604-D800 PolarHBondContact NH1-OD2 3.43Å; R604-D800 IonicContact NH2-OD2 3.81Å; R604-D800 PolarHBondContact NH2-OD2 3.24Å
605	S	43.7	Very low	39.8	Very low	82 Å²	82	108.5 Å²	108.5	57%	0.573	57%	0.572	S	S	*	*	H	α-helix	trans	-63.5	-39.6	172.5	-64.7	0	0	0	0	112.1	R601 Q602 A608 S609	R601-S605 PolarHBondContact O-N 2.89Å; R601-S605 PolarHBondContact O-OG 2.92Å; Q602-S605 PolarHBondContact O-N 3.34Å; S605-A608 PolarHBondContact O-N 3.43Å; S605-S609 WeakPolarHBondContact O-CB 3.2Å; S605-S609 PolarHBondContact O-N 3.39Å; S605-S609 PolarHBondContact O-OG 3.23Å
606	R	43	Very low	39	Very low	174 Å²	174	116.9 Å²	116.9	66%	0.657	59%	0.59	S	S	*	*	H	α-helix	trans	-60.6	-49.4	173.5	-84	177	162.3	164.3	-5.9	112.1	Q602 N603 A608 S609 S610	Q602-R606 WeakPolarHBondContact O-CB 3.44Å; Q602-R606 WeakPolarHBondContact O-CG 2.96Å; Q602-R606 PolarHBondContact O-N 3.21Å; N603-R606 PolarHBondContact O-N 2.88Å; R606-A608 PolarHBondContact O-N 3.38Å; R606-S609 WeakPolarHBondContact CA-OG 3.39Å; R606-S609 PolarHBondContact O-N 3.37Å; R606-S609 VanDerWaalsContact O-N 3.16Å; R606-S609 PolarHBondContact O-OG 3.45Å; R606-S610 PolarHBondContact O-N 3.39Å; R606-S610 PolarHBondContact O-OG 3.29Å
607	R	38.8	Very low	38.4	Very low	151 Å²	151	119.3 Å²	119.3	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-57	-45.6	175.3	-77	-173.4	176.1	177	-0.2	112	N603 R604 S609 S610 E611 D746	N603-R607 PolarHBondContact O-N 3.06Å; R604-R607 PolarHBondContact O-N 2.94Å; R607-S609 VanDerWaalsContact C-N 3.35Å; R607-S609 PolarHBondContact O-N 3.26Å; R607-S610 WeakPolarHBondContact CA-OG 3.25Å; R607-S610 PolarHBondContact O-N 3.1Å; R607-S610 PolarHBondContact O-OG 3.24Å; R607-E611 PolarHBondContact O-N 3.4Å; R607-D746 IonicContact NH1-OD1 2.68Å
608	A	37.3	Very low	37.8	Very low	60 Å²	60	122.6 Å²	122.6	50%	0.496	63%	0.628	S	S	.	*	H	α-helix	trans	-64.6	-34.8	176.6	0	0	0	0	0	113.5	R604 S605 R606	R604-A608 PolarHBondContact O-N 3.26Å; S605-A608 PolarHBondContact O-N 3.43Å; R606-A608 PolarHBondContact O-N 3.38Å
609	S	37.7	Very low	36.8	Very low	63 Å²	63	123.4 Å²	123.4	44%	0.441	65%	0.649	S	S	.	*	H	α-helix	trans	-74.9	-29	175.7	61.8	0	0	0	0	113.5	S605 R606 R607 E611 S612	S605-S609 WeakPolarHBondContact O-CB 3.2Å; S605-S609 PolarHBondContact O-N 3.39Å; S605-S609 PolarHBondContact O-OG 3.23Å; R606-S609 WeakPolarHBondContact CA-OG 3.39Å; R606-S609 PolarHBondContact O-N 3.37Å; R606-S609 VanDerWaalsContact O-N 3.16Å; R606-S609 PolarHBondContact O-OG 3.45Å; R607-S609 VanDerWaalsContact C-N 3.35Å; R607-S609 PolarHBondContact O-N 3.26Å; S609-E611 VanDerWaalsContact C-N 3.34Å; S609-S612 PolarHBondContact O-N 2.98Å; S609-S612 PolarHBondContact O-OG 3.17Å
610	S	34.7	Very low	36	Very low	75 Å²	75	121.8 Å²	121.8	52%	0.524	65%	0.653	S	S	.	*	H	α-helix	trans	-72	-24.8	173.6	46.7	0	0	0	0	113.6	R606 R607 S612	R606-S610 PolarHBondContact O-N 3.39Å; R606-S610 PolarHBondContact O-OG 3.29Å; R607-S610 WeakPolarHBondContact CA-OG 3.25Å; R607-S610 PolarHBondContact O-N 3.1Å; R607-S610 PolarHBondContact O-OG 3.24Å; S610-S612 VanDerWaalsContact C-N 3.29Å; S610-S612 PolarHBondContact O-N 2.68Å
611	E	33.5	Very low	35.3	Very low	169 Å²	169	122.3 Å²	122.3	79%	0.79	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-17.3	173.5	-70.1	176	158.3	0	0	112.9	R607 S609	R607-E611 PolarHBondContact O-N 3.4Å; S609-E611 VanDerWaalsContact C-N 3.34Å
612	S	34.8	Very low	34.3	Very low	95 Å²	95	122 Å²	122	66%	0.664	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-1.7	178.3	67.3	0	0	0	0	115.5	S609 S610	S609-S612 PolarHBondContact O-N 2.98Å; S609-S612 PolarHBondContact O-OG 3.17Å; S610-S612 VanDerWaalsContact C-N 3.29Å; S610-S612 PolarHBondContact O-N 2.68Å
613	V	34.2	Very low	33.3	Very low	110 Å²	110	125 Å²	125	67%	0.667	69%	0.693	S	S	*	*	S	Bend	trans	-124.7	57.2	-175.3	-166.5	0	0	0	0	111.3
614	N	32.8	Very low	32.5	Very low	157 Å²	157	129.7 Å²	129.7	84%	0.84	72%	0.715	S	S	*	*			trans	-155.1	85.6	161	-98	-40.2	0	0	0	109.7
615	G	29	Very low	31.7	Very low	76 Å²	76	130.7 Å²	130.7	78%	0.784	72%	0.723	S	S	*	*			trans	-82.8	138.7	176.7	0	0	0	0	0	112.6
616	R	29.5	Very low	30.8	Very low	238 Å²	238	132.2 Å²	132.2	90%	0.898	73%	0.733	S	S	*	*			trans	-158.2	105	154	-104.6	171.5	-152.1	-161	5.6	110.1
617	D	28.5	Very low	30.1	Very low	154 Å²	154	131.7 Å²	131.7	82%	0.824	74%	0.743	S	S	*	*			trans	36.2	140.5	158.8	-56.5	-42.7	0	0	0	123.3
618	P	30.1	Very low	29.5	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-84.5	126.1	-178.2	34	-33.7	0	0	0	113.1
619	A	27.8	Very low	29.1	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-81.1	143.4	166.5	0	0	0	0	0	111.3
620	P	27.3	Very low	28.8	Very low	114 Å²	114	139.9 Å²	139.9	74%	0.74	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.1	154.7	-157	32.3	-37.5	0	0	0	115.9	V622	P620-V622 PolarHBondContact O-N 3.01Å
621	T	24.3	Very low	28.7	Very low	132 Å²	132	141.4 Å²	141.4	81%	0.81	80%	0.796	S	S	*	*			trans	-57.1	114.4	170.3	-50.2	0	0	0	0	112.3	Q623	T621-Q623 HydrophobicContact CG2-CG 4.43Å
622	V	25.5	Very low	28.7	Very low	127 Å²	127	139 Å²	139	77%	0.77	79%	0.792	S	S	*	*			trans	-99.1	100.2	167.8	-179.3	0	0	0	0	109.9	P620 M624	P620-V622 PolarHBondContact O-N 3.01Å; V622-M624 PolarHBondContact O-N 2.86Å
623	Q	24.3	Very low	28.8	Very low	167 Å²	167	140.7 Å²	140.7	78%	0.78	79%	0.794	S	S	*	*			trans	-76	112	164.4	-76.9	-178.3	-40.9	0	0	109.4	T621 K625	T621-Q623 HydrophobicContact CG2-CG 4.43Å; Q623-K625 PolarHBondContact O-N 2.98Å
624	M	25.4	Very low	28.8	Very low	192 Å²	192	143 Å²	143	95%	0.946	80%	0.798	S	S	*	*			trans	-81.8	95.1	171.4	-137.3	174.6	-177.2	0	0	109.5	V622	V622-M624 PolarHBondContact O-N 2.86Å
625	K	24.3	Very low	28.6	Very low	187 Å²	187	139.7 Å²	139.7	81%	0.813	79%	0.786	S	S	*	*			trans	-97.2	134.9	160.7	-89.1	-171.9	171.9	-173.2	0	108.9	Q623	Q623-K625 PolarHBondContact O-N 2.98Å
626	C	24.5	Very low	28.8	Very low	114 Å²	114	142 Å²	142	77%	0.77	79%	0.785	S	S	*	*			trans	-61	142.3	155.1	-65.9	0	0	0	0	109
627	D	27.3	Very low	29	Very low	164 Å²	164	135.9 Å²	135.9	88%	0.877	78%	0.779	S	S	*	*				-162.8	158	120.4	-90.9	-32.8	0	0	0	110.7
628	I	26.3	Very low	29.3	Very low	169 Å²	169	133.9 Å²	133.9	87%	0.867	78%	0.777	S	S	*	*			trans	-104.6	131.6	-170.3	-62.9	162.7	0	0	0	108.9
629	A	29.2	Very low	30	Very low	80 Å²	80	132.8 Å²	132.8	66%	0.661	77%	0.77	S	S	*	*			trans	157.4	123.2	130	0	0	0	0	0	116.2
630	K	31.1	Very low	30.3	Very low	196 Å²	196	136.3 Å²	136.3	85%	0.852	77%	0.77	S	S	*	*			trans	71.8	151.2	130.4	-66.7	-178.3	177	-177.4	0	122.8
631	S	33.4	Very low	30.8	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	77%	0.774	S	S	*	*			trans	66.4	140.6	163.7	52.7	0	0	0	0	119.4
632	T	33.5	Very low	32.2	Very low	118 Å²	118	138 Å²	138	72%	0.724	77%	0.766	S	S	*	*			cis	177.4	145.9	-39.3	19.5	0	0	0	0	107.2
633	N	36.2	Very low	32.9	Very low	132 Å²	132	139 Å²	139	71%	0.706	77%	0.768	S	S	*	*			trans	66.6	155.2	160.4	-63.1	28.9	0	0	0	115.7
634	E	33.8	Very low	33.8	Very low	158 Å²	158	136.7 Å²	136.7	74%	0.738	77%	0.77	S	S	*	*			cis	-168.3	164.8	-10.1	-112	179.9	110.6	0	0	107.8
635	C	30.4	Very low	34.5	Very low	88 Å²	88	131.5 Å²	131.5	60%	0.595	77%	0.766	S	S	*	*			cis	-158.7	-172.1	-11.4	-147.1	0	0	0	0	109.3
636	T	32.1	Very low	35.1	Very low	123 Å²	123	126.5 Å²	126.5	76%	0.755	77%	0.768	S	S	*	*			trans	47.6	140.5	148.8	53.2	0	0	0	0	122.2
637	S	34.5	Very low	35.8	Very low	110 Å²	110	127.1 Å²	127.1	77%	0.769	77%	0.773	S	S	*	*			cis	-172.7	141.4	-3.3	44.4	0	0	0	0	113
638	S	35.1	Very low	36.3	Very low	112 Å²	112	123 Å²	123	78%	0.783	77%	0.77	S	S	*	*			trans	-16.1	176.3	147.5	-63.1	0	0	0	0	122
639	P	43.7	Very low	36.9	Very low	102 Å²	102	120.5 Å²	120.5	66%	0.662	77%	0.767	S	S	*	*			cis	-147.8	-164	-30.9	40	-19	0	0	0	116.5
640	E	35	Very low	37.2	Very low	171 Å²	171	121.3 Å²	121.3	80%	0.799	77%	0.773	S	S	*	*			trans	90.7	104.4	145.9	-81.6	163.8	-143.4	0	0	124.7
641	H	38.1	Very low	37.4	Very low	181 Å²	181	117.5 Å²	117.5	84%	0.838	77%	0.771	S	S	*	*				33.3	169.2	110.2	-88.4	-45	0	0	0	124.3
642	P	52.6	Low	37.3	Very low	99 Å²	99	123.7 Å²	123.7	64%	0.643	78%	0.778	S	S	*	*			cis	-141.2	-149	-12.8	36.8	-12.6	0	0	0	115.7
643	D	40.9	Very low	37.2	Very low	150 Å²	150	122.4 Å²	122.4	80%	0.802	78%	0.78	S	S	*	*			trans	83.7	144.7	165.2	-65.4	-15.3	0	0	0	120
644	S	42.1	Very low	37	Very low	117 Å²	117	121 Å²	121	82%	0.818	78%	0.78	S	S	*	*			cis	-168.7	171.3	-16.8	56.6	0	0	0	0	109.3
645	G	39.8	Very low	36.8	Very low	83 Å²	83	121.8 Å²	121.8	86%	0.856	78%	0.784	S	S	*	*			cis	156.8	107	-14.6	0	0	0	0	0	115.7
646	G	38	Very low	36.8	Very low	83 Å²	83	125 Å²	125	86%	0.856	79%	0.79	S	S	*	*			trans	141	158.4	165.3	0	0	0	0	0	116.4
647	S	39.7	Very low	36.6	Very low	127 Å²	127	127.7 Å²	127.7	89%	0.888	79%	0.794	S	S	*	*			cis	-156.7	141.6	-6.1	55.4	0	0	0	0	109.5
648	G	37.7	Very low	36.2	Very low	78 Å²	78	128.2 Å²	128.2	80%	0.804	80%	0.798	S	S	*	*				105.9	143.7	101.7	0	0	0	0	0	112.1
649	S	37.9	Very low	35.9	Very low	116 Å²	116	129 Å²	129	81%	0.811	80%	0.798	S	S	*	*			cis	-162.5	151.8	-0.2	51.6	0	0	0	0	112.9
650	A	35.6	Very low	35.1	Very low	96 Å²	96	132.3 Å²	132.3	79%	0.793	81%	0.809	S	S	*	*			trans	56.2	149.1	142.5	0	0	0	0	0	122
651	S	35.9	Very low	34.6	Very low	116 Å²	116	133 Å²	133	81%	0.811	80%	0.804	S	S	*	*			cis	-175.5	-179.6	-4.9	51.2	0	0	0	0	108.7
652	R	31.2	Very low	34	Very low	237 Å²	237	130.8 Å²	130.8	89%	0.894	81%	0.806	S	S	*	*			cis	-170.5	140.2	-45.7	179.5	-178.8	-175.3	-174.9	2.3	109.3
653	A	31.7	Very low	32.9	Very low	92 Å²	92	131.7 Å²	131.7	76%	0.76	82%	0.815	S	S	*	*			trans	68.9	156.4	167.6	0	0	0	0	0	118.2
654	S	30.7	Very low	32.2	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	81%	0.811	S	S	*	*			cis	-168.2	147.1	-14.1	46.4	0	0	0	0	113.5
655	H	30.6	Very low	31.5	Very low	175 Å²	175	130.4 Å²	130.4	81%	0.81	81%	0.809	S	S	*	*			trans	75.4	148.3	148.5	-83.3	23.1	0	0	0	123.6
656	H	30.5	Very low	30.9	Very low	155 Å²	155	133.5 Å²	133.5	72%	0.718	80%	0.803	S	S	*	*			trans	76.4	108.7	165.6	-74.5	-67	0	0	0	123.2
657	Q	27.9	Very low	30.6	Very low	180 Å²	180	138 Å²	138	84%	0.841	80%	0.799	S	S	*	*			trans	37.9	109.5	137	-68.2	179.3	-10.4	0	0	120.2
658	S	26.5	Very low	30.1	Very low	121 Å²	121	136 Å²	136	85%	0.846	79%	0.785	S	S	*	*				-155	157.4	123.2	56.5	0	0	0	0	112.1
659	T	27.4	Very low	29.8	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	79%	0.787	S	S	*	*			trans	-60.1	145.6	-178.3	49.7	0	0	0	0	114.5
660	L	27.1	Very low	29.5	Very low	171 Å²	171	142.5 Å²	142.5	90%	0.895	77%	0.773	S	S	*	*			trans	-166.6	155.2	135.8	-103.9	159.2	0	0	0	113.5
661	R	25	Very low	29.3	Very low	186 Å²	186	142.3 Å²	142.3	70%	0.702	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66	156.4	-160.7	-66.2	168	168.1	-135.7	-14.7	116.3	D429	D429-R661 IonicContact OD2-CZ 2.89Å; D429-R661 IonicContact OD2-NH1 2.7Å; D429-R661 PolarHBondContact OD2-NH1 3.37Å; D429-R661 IonicContact OD2-NH2 3.11Å; D429-R661 PolarHBondContact OD2-NH2 3.27Å
662	P	25.6	Very low	29.2	Very low	133 Å²	133	143.1 Å²	143.1	86%	0.864	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-76.3	138.8	171.2	32.7	-34.4	0	0	0	112.1
663	S	28.8	Very low	29.2	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-100.5	158.4	178.3	54.1	0	0	0	0	113.6
664	T	27.3	Very low	29.3	Very low	119 Å²	119	132.6 Å²	132.6	73%	0.73	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-76.9	162.7	-158.3	23.9	0	0	0	0	116.7	M666	T664-M666 PolarHBondContact O-N 3.45Å
665	P	26.6	Very low	29.4	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	70%	0.701	S	S	*	*			trans	-79.3	84.3	-179	33.6	-35.4	0	0	0	112.5
666	M	28.1	Very low	29.5	Very low	148 Å²	148	134.9 Å²	134.9	73%	0.729	69%	0.693	S	S	*	*			trans	-99.2	-14	169.4	-72	-164.4	76.8	0	0	114.6	T664 S668	T664-M666 PolarHBondContact O-N 3.45Å; M666-S668 PolarHBondContact O-N 3.02Å
667	K	30.7	Very low	29.6	Very low	178 Å²	178	132.4 Å²	132.4	77%	0.774	69%	0.685	S	S	*	*	H	α-helix	trans	-75.2	-13.1	-168.5	-69.6	-171.8	173.9	-175.1	0	116.2	I671	K667-I671 VanDerWaalsContact O-CD1 3.29Å; K667-I671 WeakPolarHBondContact O-CD1 3.29Å; K667-I671 VanDerWaalsContact O-CG1 3.3Å; K667-I671 WeakPolarHBondContact O-CG1 2.78Å
668	S	30.1	Very low	29.9	Very low	84 Å²	84	130.1 Å²	130.1	59%	0.587	68%	0.675	S	S	*	*	H	α-helix	trans	-86.5	-22.8	-179.4	51.3	0	0	0	0	114.8	M666	M666-S668 PolarHBondContact O-N 3.02Å
669	R	29.7	Very low	30.2	Very low	221 Å²	221	132.4 Å²	132.4	83%	0.834	67%	0.672	S	S	*	*	H	α-helix	trans	-80.4	-37.9	172	-89.8	-178.8	166	171.3	-6.4	112.1	L672 A673	R669-L672 PolarHBondContact O-N 3.42Å; R669-A673 PolarHBondContact O-N 3.28Å; R669-A673 VanDerWaalsContact O-N 3.13Å
670	Q	32.1	Very low	30.5	Very low	111 Å²	111	131.5 Å²	131.5	52%	0.519	66%	0.662	S	S	.	*	H	α-helix	trans	-60.2	-48.9	178.1	-152	61	50.5	0	0	111	L672 A673 D674	Q670-L672 PolarHBondContact O-N 3.02Å; Q670-L672 VanDerWaalsContact O-N 3.07Å; Q670-A673 PolarHBondContact O-N 2.73Å; Q670-D674 WeakPolarHBondContact CG-OD2 3.29Å; Q670-D674 PolarHBondContact NE2-OD1 3.43Å; Q670-D674 WeakPolarHBondContact O-CB 3.29Å; Q670-D674 PolarHBondContact O-N 2.88Å
671	I	32.9	Very low	30.7	Very low	92 Å²	92	127.6 Å²	127.6	47%	0.472	65%	0.649	S	S	.	*	H	α-helix	trans	-60.3	-25.2	179.9	-65.2	167.7	0	0	0	113.9	K667 R675	K667-I671 VanDerWaalsContact O-CD1 3.29Å; K667-I671 WeakPolarHBondContact O-CD1 3.29Å; K667-I671 VanDerWaalsContact O-CG1 3.3Å; K667-I671 WeakPolarHBondContact O-CG1 2.78Å; I671-R675 WeakPolarHBondContact O-CB 3.13Å; I671-R675 VanDerWaalsContact O-CG 3.29Å; I671-R675 WeakPolarHBondContact O-CG 3.33Å; I671-R675 PolarHBondContact O-N 3.21Å
672	L	32.1	Very low	30.9	Very low	132 Å²	132	129.7 Å²	129.7	69%	0.691	66%	0.657	S	S	*	*	H	α-helix	trans	-85.5	-33.7	175.3	-80.7	165.3	0	0	0	112.8	R669 Q670 Y676	R669-L672 PolarHBondContact O-N 3.42Å; Q670-L672 PolarHBondContact O-N 3.02Å; Q670-L672 VanDerWaalsContact O-N 3.07Å; L672-Y676 WeakPolarHBondContact O-CB 3.41Å; L672-Y676 PolarHBondContact O-N 3.39Å
673	A	32.7	Very low	31.1	Very low	42 Å²	42	131 Å²	131	35%	0.347	66%	0.656	S	S	.	*	H	α-helix	trans	-71.3	-43.9	171.9	0	0	0	0	0	111.4	R669 Q670 R675 Y676 N677	R669-A673 PolarHBondContact O-N 3.28Å; R669-A673 VanDerWaalsContact O-N 3.13Å; Q670-A673 PolarHBondContact O-N 2.73Å; A673-R675 PolarHBondContact O-N 3.41Å; A673-Y676 WeakPolarHBondContact O-CB 3.25Å; A673-Y676 PolarHBondContact O-N 3.03Å; A673-Y676 VanDerWaalsContact O-N 3.16Å; A673-N677 WeakPolarHBondContact O-CB 3.38Å; A673-N677 PolarHBondContact O-N 2.99Å; A673-N677 PolarHBondContact O-ND2 3.29Å
674	D	32.3	Very low	30.9	Very low	67 Å²	67	133.5 Å²	133.5	36%	0.358	66%	0.66	S	S	.	*	H	α-helix	trans	-63.4	-41.2	179.5	-57.7	-15.7	0	0	0	110.7	Q670 Y676 N677 E678	Q670-D674 WeakPolarHBondContact CG-OD2 3.29Å; Q670-D674 PolarHBondContact NE2-OD1 3.43Å; Q670-D674 WeakPolarHBondContact O-CB 3.29Å; Q670-D674 PolarHBondContact O-N 2.88Å; D674-Y676 PolarHBondContact O-N 3.31Å; D674-N677 PolarHBondContact O-N 2.87Å; D674-E678 WeakPolarHBondContact O-CB 3.21Å; D674-E678 WeakPolarHBondContact O-CG 3.33Å; D674-E678 PolarHBondContact O-N 3.1Å
675	R	33.1	Very low	31	Very low	161 Å²	161	134.4 Å²	134.4	61%	0.608	67%	0.665	S	S	*	*	H	α-helix	trans	-68.6	-30.1	173.8	-77.9	-178.9	-179.7	-174.2	1.4	114.3	I671 A673 Q679	I671-R675 WeakPolarHBondContact O-CB 3.13Å; I671-R675 VanDerWaalsContact O-CG 3.29Å; I671-R675 WeakPolarHBondContact O-CG 3.33Å; I671-R675 PolarHBondContact O-N 3.21Å; A673-R675 PolarHBondContact O-N 3.41Å; R675-Q679 PolarHBondContact O-N 2.95Å
676	Y	32.8	Very low	30.9	Very low	164 Å²	164	134.6 Å²	134.6	64%	0.643	66%	0.664	S	S	*	*	H	α-helix	trans	-71.7	-35.3	173.8	-169	-99.5	0	0	0	111	L672 A673 D674 N680	L672-Y676 WeakPolarHBondContact O-CB 3.41Å; L672-Y676 PolarHBondContact O-N 3.39Å; A673-Y676 WeakPolarHBondContact O-CB 3.25Å; A673-Y676 PolarHBondContact O-N 3.03Å; A673-Y676 VanDerWaalsContact O-N 3.16Å; D674-Y676 PolarHBondContact O-N 3.31Å; Y676-N680 PolarHBondContact O-ND2 3.44Å
677	N	33.3	Very low	30.7	Very low	103 Å²	103	132.9 Å²	132.9	55%	0.551	67%	0.667	S	S	*	*	H	α-helix	trans	-75.8	-37.5	175	-69.4	-17.6	0	0	0	112.7	A673 D674 Q679 N680 S681	A673-N677 WeakPolarHBondContact O-CB 3.38Å; A673-N677 PolarHBondContact O-N 2.99Å; A673-N677 PolarHBondContact O-ND2 3.29Å; D674-N677 PolarHBondContact O-N 2.87Å; N677-Q679 VanDerWaalsContact C-N 3.31Å; N677-Q679 PolarHBondContact O-N 2.96Å; N677-N680 PolarHBondContact O-N 2.87Å; N677-S681 PolarHBondContact O-N 2.72Å
678	E	33.9	Very low	30.6	Very low	132 Å²	132	129.2 Å²	129.2	62%	0.617	66%	0.663	S	S	*	*	H	α-helix	trans	-59.9	-38.4	174.8	-81.5	-179.9	149.2	0	0	112	D674 S681	D674-E678 WeakPolarHBondContact O-CB 3.21Å; D674-E678 WeakPolarHBondContact O-CG 3.33Å; D674-E678 PolarHBondContact O-N 3.1Å; E678-S681 WeakPolarHBondContact O-CB 3.41Å; E678-S681 PolarHBondContact O-N 3.09Å; E678-S681 PolarHBondContact O-OG 3.22Å
679	Q	33.8	Very low	30.6	Very low	169 Å²	169	128.4 Å²	128.4	79%	0.79	66%	0.655	S	S	*	*	H	α-helix	trans	-74.9	-22.7	178.9	-71.4	-168.1	-47.6	0	0	114.2	R675 N677	R675-Q679 PolarHBondContact O-N 2.95Å; N677-Q679 VanDerWaalsContact C-N 3.31Å; N677-Q679 PolarHBondContact O-N 2.96Å
680	N	33.3	Very low	30.6	Very low	110 Å²	110	122.7 Å²	122.7	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-90.2	-3.9	175	-75	-32.4	0	0	0	113.7	Y676 N677 R682	Y676-N680 PolarHBondContact O-ND2 3.44Å; N677-N680 PolarHBondContact O-N 2.87Å; N680-R682 PolarHBondContact O-N 2.9Å
681	S	29.7	Very low	30.7	Very low	89 Å²	89	119.2 Å²	119.2	62%	0.622	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	16.7	-174.6	69.8	0	0	0	0	116.5	N677 E678	N677-S681 PolarHBondContact O-N 2.72Å; E678-S681 WeakPolarHBondContact O-CB 3.41Å; E678-S681 PolarHBondContact O-N 3.09Å; E678-S681 PolarHBondContact O-OG 3.22Å
682	R	31	Very low	30.9	Very low	229 Å²	229	120 Å²	120	86%	0.864	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	16	-167.1	-91.3	-173	167.1	-176.9	-3.5	116.5	N680	N680-R682 PolarHBondContact O-N 2.9Å
683	L	29.3	Very low	31.2	Very low	161 Å²	161	115.9 Å²	115.9	84%	0.843	63%	0.631	S	S	*	*			trans	-130.6	99.1	175.5	-74	167.2	0	0	0	110.6	V685	L683-V685 PolarHBondContact O-N 3.35Å; L683-V685 VanDerWaalsContact O-N 3.15Å
684	D	24.6	Very low	31.6	Very low	172 Å²	172	119.6 Å²	119.6	92%	0.92	64%	0.642	S	S	*	*			trans	-65.4	104.8	170.6	-78.5	-51.2	0	0	0	110.6
685	V	28.8	Very low	32	Very low	138 Å²	138	123 Å²	123	84%	0.836	65%	0.654	S	S	*	*			trans	-135	123.6	155.8	-175.5	0	0	0	0	108.2	L683	L683-V685 PolarHBondContact O-N 3.35Å; L683-V685 VanDerWaalsContact O-N 3.15Å
686	T	23.9	Very low	32.4	Very low	124 Å²	124	117.3 Å²	117.3	76%	0.761	63%	0.634	S	S	*	*			trans	-75.4	140.4	-167.5	47.4	0	0	0	0	113.7
687	S	24.8	Very low	32.8	Very low	111 Å²	111	111.5 Å²	111.5	78%	0.776	61%	0.614	S	S	*	*			trans	52.4	88.2	159.9	63.3	0	0	0	0	118
688	S	29	Very low	33.1	Very low	101 Å²	101	115.3 Å²	115.3	71%	0.706	62%	0.621	S	S	*	*			trans	-113.5	123.3	150.2	57.2	0	0	0	0	109.1
689	T	29.6	Very low	33.6	Very low	67 Å²	67	114.5 Å²	114.5	41%	0.411	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-95	120.2	-179.7	33.5	0	0	0	0	109.1	Y743	T689-Y743 WeakPolarHBondContact O-CE1 3.48Å
690	C	30.1	Very low	33.9	Very low	102 Å²	102	107.5 Å²	107.5	69%	0.689	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-76	135.5	175.1	-163.6	0	0	0	0	109.2	S692	C690-S692 PolarHBondContact O-N 2.7Å; C690-S692 VanDerWaalsContact O-N 3.1Å
691	P	33.3	Very low	34.2	Very low	37 Å²	37	103.1 Å²	103.1	24%	0.24	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-57.8	117	179.3	-24.8	34.6	0	0	0	111.3	E696 L697 I700 Y743	P691-E696 HydrophobicContact CB-CB 4.24Å; P691-L697 HydrophobicContact CB-CD2 3.78Å; P691-L697 HydrophobicContact CB-CG 3.91Å; P691-L697 HydrophobicContact CG-CD2 4.05Å; P691-I700 HydrophobicContact CB-CD1 4.28Å; P691-I700 HydrophobicContact CG-CD1 3.67Å; P691-Y743 HydrophobicContact CG-CE1 4.08Å
692	S	36.8	Very low	34.8	Very low	108 Å²	108	105.5 Å²	105.5	76%	0.755	56%	0.564	S	S	*	*			trans	-92.3	-11.5	-172.1	68.9	0	0	0	0	113.2	C690 E696	C690-S692 PolarHBondContact O-N 2.7Å; C690-S692 VanDerWaalsContact O-N 3.1Å; S692-E696 WeakPolarHBondContact CA-OE2 3.49Å; S692-E696 PolarHBondContact N-OE2 3.2Å; S692-E696 PolarHBondContact OG-OE2 3.27Å
693	S	39.4	Very low	35.3	Very low	46 Å²	46	99.2 Å²	99.2	32%	0.322	55%	0.55	S	S	.	*	S	Bend	trans	-141.9	154.4	-177.3	70.4	0	0	0	0	113.7	K695 E696 L697	S693-K695 PolarHBondContact O-N 3.17Å; S693-K695 VanDerWaalsContact O-N 3.15Å; S693-K695 PolarHBondContact OG-N 3.03Å; S693-E696 PolarHBondContact N-OE2 3.02Å; S693-E696 VanDerWaalsContact N-OE2 3.17Å; S693-E696 PolarHBondContact O-N 3.42Å; S693-E696 PolarHBondContact OG-N 2.9Å; S693-E696 VanDerWaalsContact OG-N 3.16Å; S693-E696 PolarHBondContact OG-OE2 2.97Å; S693-L697 PolarHBondContact O-N 3.43Å; S693-L697 VanDerWaalsContact O-N 3.1Å
694	M	40	Very low	35.9	Very low	120 Å²	120	94.6 Å²	94.6	59%	0.591	53%	0.529	S	S	*	.	H	α-helix	trans	-60	-19	167.9	-89	-64.6	-65.9	0	0	113.4	L697 R698	M694-L697 HydrophobicContact SD-CD1 4.15Å; M694-R698 WeakPolarHBondContact O-CB 3.08Å; M694-R698 VanDerWaalsContact O-CG 3.25Å; M694-R698 WeakPolarHBondContact O-CG 3.44Å; M694-R698 PolarHBondContact O-N 2.92Å; M694-R698 VanDerWaalsContact O-N 3.11Å
695	K	41.5	Very low	36.5	Very low	139 Å²	139	88.5 Å²	88.5	60%	0.604	50%	0.502	S	S	*	.	H	α-helix	trans	-73	-46.1	175.3	-167.6	179.5	179.3	-174.6	0	110.7	S693 R698 Q699	S693-K695 PolarHBondContact O-N 3.17Å; S693-K695 VanDerWaalsContact O-N 3.15Å; S693-K695 PolarHBondContact OG-N 3.03Å; K695-R698 PolarHBondContact O-N 3.5Å; K695-Q699 WeakPolarHBondContact O-CG 3.34Å; K695-Q699 PolarHBondContact O-N 3.36Å
696	E	42.2	Very low	37	Very low	41 Å²	41	84 Å²	84	19%	0.192	48%	0.476	C	S	.	.	H	α-helix	trans	-63.1	-45.3	173.6	-71.4	172.3	122.8	0	0	111.5	P691 S692 S693 R698 Q699 I700	P691-E696 HydrophobicContact CB-CB 4.24Å; S692-E696 WeakPolarHBondContact CA-OE2 3.49Å; S692-E696 PolarHBondContact N-OE2 3.2Å; S692-E696 PolarHBondContact OG-OE2 3.27Å; S693-E696 PolarHBondContact N-OE2 3.02Å; S693-E696 VanDerWaalsContact N-OE2 3.17Å; S693-E696 PolarHBondContact O-N 3.42Å; S693-E696 PolarHBondContact OG-N 2.9Å; S693-E696 VanDerWaalsContact OG-N 3.16Å; S693-E696 PolarHBondContact OG-OE2 2.97Å; E696-R698 VanDerWaalsContact C-N 3.31Å; E696-R698 PolarHBondContact O-N 2.99Å; E696-Q699 PolarHBondContact O-N 3.17Å; E696-Q699 VanDerWaalsContact O-N 3.15Å; E696-I700 WeakPolarHBondContact O-CG1 3.31Å; E696-I700 PolarHBondContact O-N 3.06Å
697	L	39.5	Very low	37.7	Very low	43 Å²	43	87.3 Å²	87.3	23%	0.225	48%	0.476	C	S	.	.	H	α-helix	trans	-59.8	-38.8	176.4	-73.1	169.5	0	0	0	112.6	P691 S693 M694 I700 A701 F773	P691-L697 HydrophobicContact CB-CD2 3.78Å; P691-L697 HydrophobicContact CB-CG 3.91Å; P691-L697 HydrophobicContact CG-CD2 4.05Å; S693-L697 PolarHBondContact O-N 3.43Å; S693-L697 VanDerWaalsContact O-N 3.1Å; M694-L697 HydrophobicContact SD-CD1 4.15Å; L697-I700 PolarHBondContact O-N 3.12Å; L697-A701 WeakPolarHBondContact O-CB 3.43Å; L697-A701 PolarHBondContact O-N 3.5Å; L697-F773 HydrophobicContact CB-CD2 4.49Å; L697-F773 HydrophobicContact CD2-CB 4.24Å; L697-F773 HydrophobicContact CD2-CD1 4.16Å; L697-F773 HydrophobicContact CD2-CD2 4.38Å; L697-F773 HydrophobicContact CD2-CG 4Å
698	R	40.9	Very low	38.2	Very low	182 Å²	182	88.3 Å²	88.3	69%	0.687	47%	0.472	S	S	*	.	H	α-helix	trans	-67.5	-38.9	174.1	-78.1	176.1	179.4	-171.1	0.7	112.8	M694 K695 E696 A701 F702	M694-R698 WeakPolarHBondContact O-CB 3.08Å; M694-R698 VanDerWaalsContact O-CG 3.25Å; M694-R698 WeakPolarHBondContact O-CG 3.44Å; M694-R698 PolarHBondContact O-N 2.92Å; M694-R698 VanDerWaalsContact O-N 3.11Å; K695-R698 PolarHBondContact O-N 3.5Å; E696-R698 VanDerWaalsContact C-N 3.31Å; E696-R698 PolarHBondContact O-N 2.99Å; R698-A701 PolarHBondContact O-N 3.34Å; R698-F702 WeakPolarHBondContact O-CB 3.17Å; R698-F702 PolarHBondContact O-N 2.79Å
699	Q	43.7	Very low	38.4	Very low	115 Å²	115	87.8 Å²	87.8	54%	0.537	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-44.5	174.1	-75	172.5	-48.4	0	0	111.3	K695 E696 A701 F702 V703	K695-Q699 WeakPolarHBondContact O-CG 3.34Å; K695-Q699 PolarHBondContact O-N 3.36Å; E696-Q699 PolarHBondContact O-N 3.17Å; E696-Q699 VanDerWaalsContact O-N 3.15Å; Q699-A701 PolarHBondContact O-N 3.41Å; Q699-F702 PolarHBondContact O-N 3.36Å; Q699-V703 WeakPolarHBondContact O-CG2 3.34Å; Q699-V703 PolarHBondContact O-N 3.32Å
700	I	40.1	Very low	38.4	Very low	23 Å²	23	91.8 Å²	91.8	12%	0.118	48%	0.483	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175.7	-66.3	165.5	0	0	0	110.7	P691 E696 L697 F702 V703 V704 Y743 F745 F773	P691-I700 HydrophobicContact CB-CD1 4.28Å; P691-I700 HydrophobicContact CG-CD1 3.67Å; E696-I700 WeakPolarHBondContact O-CG1 3.31Å; E696-I700 PolarHBondContact O-N 3.06Å; L697-I700 PolarHBondContact O-N 3.12Å; I700-F702 VanDerWaalsContact C-N 3.31Å; I700-F702 PolarHBondContact O-N 3Å; I700-V703 PolarHBondContact O-N 2.99Å; I700-V704 WeakPolarHBondContact O-CG2 3.45Å; I700-V704 PolarHBondContact O-N 2.92Å; I700-Y743 HydrophobicContact CD1-CD1 4.48Å; I700-Y743 HydrophobicContact CD1-CE1 4.1Å; I700-Y743 HydrophobicContact CD1-CE2 4.48Å; I700-F745 HydrophobicContact CG2-CZ 4.18Å; I700-F773 HydrophobicContact CG2-CE1 4.45Å
701	A	39.4	Very low	38.3	Very low	18 Å²	18	92.7 Å²	92.7	15%	0.149	49%	0.487	C	S	.	.	H	α-helix	trans	-57.8	-42.8	174.5	0	0	0	0	0	112.5	L697 R698 Q699 V704 A705 V771 F773	L697-A701 WeakPolarHBondContact O-CB 3.43Å; L697-A701 PolarHBondContact O-N 3.5Å; R698-A701 PolarHBondContact O-N 3.34Å; Q699-A701 PolarHBondContact O-N 3.41Å; A701-V704 PolarHBondContact O-N 3.23Å; A701-A705 VanDerWaalsContact O-CB 3.31Å; A701-A705 WeakPolarHBondContact O-CB 3.27Å; A701-A705 PolarHBondContact O-N 2.87Å; A701-V771 HydrophobicContact CB-CG1 4.47Å; A701-F773 HydrophobicContact CB-CE2 3.84Å; A701-F773 HydrophobicContact CB-CZ 3.71Å
702	F	42.4	Very low	38	Very low	139 Å²	139	100.2 Å²	100.2	61%	0.61	51%	0.511	S	S	*	.	H	α-helix	trans	-68.5	-37.6	-179.8	-164	-89.6	0	0	0	112.2	R698 Q699 I700 S706	R698-F702 WeakPolarHBondContact O-CB 3.17Å; R698-F702 PolarHBondContact O-N 2.79Å; Q699-F702 PolarHBondContact O-N 3.36Å; I700-F702 VanDerWaalsContact C-N 3.31Å; I700-F702 PolarHBondContact O-N 3Å; F702-S706 VanDerWaalsContact O-CB 3.23Å; F702-S706 WeakPolarHBondContact O-CB 3.44Å; F702-S706 PolarHBondContact O-N 3.46Å; F702-S706 PolarHBondContact O-OG 3.48Å
703	V	42.5	Very low	37.5	Very low	97 Å²	97	106.7 Å²	106.7	59%	0.588	52%	0.519	S	S	*	.	H	α-helix	trans	-64.2	-47.3	173.5	171.2	0	0	0	0	110.8	Q699 I700 S706 Y707	Q699-V703 WeakPolarHBondContact O-CG2 3.34Å; Q699-V703 PolarHBondContact O-N 3.32Å; I700-V703 PolarHBondContact O-N 2.99Å; V703-S706 PolarHBondContact O-N 3.32Å; V703-Y707 WeakPolarHBondContact O-CB 3.33Å; V703-Y707 PolarHBondContact O-N 3Å
704	V	40.6	Very low	36.9	Very low	64 Å²	64	112 Å²	112	39%	0.388	54%	0.544	S	S	.	.	H	α-helix	trans	-61.6	-46	176.9	173.1	0	0	0	0	111.2	I700 A701 S706 Y707 L708	I700-V704 WeakPolarHBondContact O-CG2 3.45Å; I700-V704 PolarHBondContact O-N 2.92Å; A701-V704 PolarHBondContact O-N 3.23Å; V704-S706 VanDerWaalsContact C-N 3.35Å; V704-S706 PolarHBondContact O-N 3.44Å; V704-Y707 PolarHBondContact O-N 3.34Å; V704-L708 HydrophobicContact CG1-CD1 3.93Å; V704-L708 VanDerWaalsContact O-CG 3.3Å; V704-L708 WeakPolarHBondContact O-CG 3.33Å; V704-L708 PolarHBondContact O-N 3.01Å
705	A	38.2	Very low	36.3	Very low	43 Å²	43	112.2 Å²	112.2	36%	0.355	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-39.1	176.7	0	0	0	0	0	112.6	A701 S709	A701-A705 VanDerWaalsContact O-CB 3.31Å; A701-A705 WeakPolarHBondContact O-CB 3.27Å; A701-A705 PolarHBondContact O-N 2.87Å; A705-S709 WeakPolarHBondContact O-CB 3.45Å; A705-S709 PolarHBondContact O-N 3.15Å; A705-S709 PolarHBondContact O-OG 3.08Å
706	S	40.2	Very low	35.6	Very low	43 Å²	43	110.7 Å²	110.7	30%	0.301	56%	0.564	S	S	.	*	H	α-helix	trans	-66.3	-42.1	175.8	-62.6	0	0	0	0	111.8	F702 V703 V704 L708 S709	F702-S706 VanDerWaalsContact O-CB 3.23Å; F702-S706 WeakPolarHBondContact O-CB 3.44Å; F702-S706 PolarHBondContact O-N 3.46Å; F702-S706 PolarHBondContact O-OG 3.48Å; V703-S706 PolarHBondContact O-N 3.32Å; V704-S706 VanDerWaalsContact C-N 3.35Å; V704-S706 PolarHBondContact O-N 3.44Å; S706-L708 PolarHBondContact O-N 3.29Å; S706-S709 PolarHBondContact O-N 3.46Å; S706-S709 VanDerWaalsContact O-N 3.14Å
707	Y	37.5	Very low	34.8	Very low	194 Å²	194	113.9 Å²	113.9	76%	0.761	59%	0.591	S	S	*	*	H	α-helix	trans	-64.6	-38.5	177.8	-157	-90.5	0	0	0	112.1	V703 V704 S709	V703-Y707 WeakPolarHBondContact O-CB 3.33Å; V703-Y707 PolarHBondContact O-N 3Å; V704-Y707 PolarHBondContact O-N 3.34Å; Y707-S709 PolarHBondContact O-N 2.9Å
708	L	36.4	Very low	34.1	Very low	132 Å²	132	122.7 Å²	122.7	69%	0.691	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-9.4	175.3	-68.1	170.1	0	0	0	114	V704 S706	V704-L708 HydrophobicContact CG1-CD1 3.93Å; V704-L708 VanDerWaalsContact O-CG 3.3Å; V704-L708 WeakPolarHBondContact O-CG 3.33Å; V704-L708 PolarHBondContact O-N 3.01Å; S706-L708 PolarHBondContact O-N 3.29Å
709	S	32.9	Very low	33.5	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-3.3	-173.2	-61.9	0	0	0	0	114.9	A705 S706 Y707	A705-S709 WeakPolarHBondContact O-CB 3.45Å; A705-S709 PolarHBondContact O-N 3.15Å; A705-S709 PolarHBondContact O-OG 3.08Å; S706-S709 PolarHBondContact O-N 3.46Å; S706-S709 VanDerWaalsContact O-N 3.14Å; Y707-S709 PolarHBondContact O-N 2.9Å
710	Q	29.9	Very low	32.8	Very low	151 Å²	151	127.8 Å²	127.8	71%	0.706	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-93.9	125.9	-173.1	-73.1	-177.4	15.5	0	0	113.4
711	P	27.1	Very low	32.1	Very low	120 Å²	120	135 Å²	135	78%	0.779	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-76.3	135.1	169.7	31.5	-32.4	0	0	0	110.5	R713	P711-R713 PolarHBondContact O-N 2.91Å
712	R	27.5	Very low	31.5	Very low	196 Å²	196	138.1 Å²	138.1	74%	0.74	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-52.2	132	179.8	-70.2	-171.9	178.2	-156.4	-2.4	112.9	E592	E592-R712 IonicContact OE1-CZ 3.74Å; E592-R712 IonicContact OE1-NE 3.32Å; E592-R712 PolarHBondContact OE1-NE 3.37Å; E592-R712 IonicContact OE1-NH2 3.54Å; E592-R712 PolarHBondContact OE1-NH2 3.47Å
713	R	26.7	Very low	31.1	Very low	244 Å²	244	137.2 Å²	137.2	92%	0.921	71%	0.707	S	S	*	*			trans	-131.3	152.5	151.9	-77.9	-168.8	173.8	-179.4	-0.5	110	P711	P711-R713 PolarHBondContact O-N 2.91Å
714	D	26.5	Very low	30.5	Very low	158 Å²	158	140.2 Å²	140.2	85%	0.845	71%	0.712	S	S	*	*			trans	-68.7	154	-160.5	-71.2	-56.4	0	0	0	115.5	S716	D714-S716 PolarHBondContact O-N 3.43Å; D714-S716 VanDerWaalsContact O-N 3.08Å
715	S	27.1	Very low	29.8	Very low	124 Å²	124	141 Å²	141	87%	0.867	73%	0.726	S	S	*	*	S	Bend	trans	-78.3	80.3	-175.3	56.3	0	0	0	0	113.2
716	S	25.6	Very low	29.4	Very low	106 Å²	106	147 Å²	147	74%	0.741	75%	0.752	S	S	*	*			trans	-165.5	64.6	163.7	64.4	0	0	0	0	115.7	D714	D714-S716 PolarHBondContact O-N 3.43Å; D714-S716 VanDerWaalsContact O-N 3.08Å
717	S	27.3	Very low	29	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	77%	0.772	S	S	*	*			trans	-178.5	123.3	145.3	49.3	0	0	0	0	111	H719	S717-H719 PolarHBondContact O-N 2.93Å
718	Y	24.8	Very low	28.5	Very low	227 Å²	227	148.9 Å²	148.9	89%	0.89	78%	0.78	S	S	*	*			trans	-75.8	109	164.7	-84.2	-97.4	0	0	0	108.7
719	H	27.4	Very low	28.3	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.815	78%	0.783	S	S	*	*			trans	-175.2	108.6	150.2	-92.9	-64.4	0	0	0	107.2	S717	S717-H719 PolarHBondContact O-N 2.93Å
720	Y	28.2	Very low	28.3	Very low	229 Å²	229	152 Å²	152	90%	0.898	79%	0.792	S	S	*	*			trans	-141.9	126.1	160.6	-97.4	-72.5	0	0	0	111.4
721	E	25.8	Very low	28.1	Very low	174 Å²	174	150.9 Å²	150.9	81%	0.813	80%	0.8	S	S	*	*			trans	-75.7	161	179	-65.8	150.3	140.2	0	0	110.9	P723	E721-P723 WeakPolarHBondContact O-CD 3.45Å
722	C	27.3	Very low	28.2	Very low	83 Å²	83	151 Å²	151	56%	0.561	80%	0.803	S	S	*	*			trans	-70.7	125.7	176.4	-174.9	0	0	0	0	110.3	F724 A725	C722-F724 PolarHBondContact O-N 3.19Å; C722-A725 PolarHBondContact O-N 2.98Å
723	P	33.1	Very low	28.7	Very low	121 Å²	121	145.7 Å²	145.7	79%	0.786	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	11.8	178.6	-20.9	34	0	0	0	116	E721	E721-P723 WeakPolarHBondContact O-CD 3.45Å
724	F	30.4	Very low	28.8	Very low	160 Å²	160	141.5 Å²	141.5	70%	0.702	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	12.3	179.8	-66.4	-76.9	0	0	0	113	C722 D726	C722-F724 PolarHBondContact O-N 3.19Å; F724-D726 PolarHBondContact O-N 3.02Å
725	A	26.9	Very low	29.1	Very low	81 Å²	81	136.2 Å²	136.2	67%	0.669	77%	0.765	S	S	*	*			trans	-79	68.8	170.9	0	0	0	0	0	111	C722	C722-A725 PolarHBondContact O-N 2.98Å
726	D	29.3	Very low	29.5	Very low	168 Å²	168	135.4 Å²	135.4	90%	0.898	76%	0.757	S	S	*	*	S	Bend	trans	-162.2	39.1	168.7	-108.3	-18.9	0	0	0	113.3	F724	F724-D726 PolarHBondContact O-N 3.02Å
727	S	31.6	Very low	30	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	76%	0.762	S	S	*	*			trans	-169.9	110.6	155.7	60.5	0	0	0	0	111.8	S729	S727-S729 PolarHBondContact O-N 3.18Å
728	D	27.5	Very low	30.4	Very low	173 Å²	173	138.2 Å²	138.2	93%	0.925	75%	0.746	S	S	*	*			trans	-74.1	115.6	176.4	-62.9	-57.6	0	0	0	112.3
729	S	31.2	Very low	30.8	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	74%	0.743	S	S	*	*	S	Bend	trans	-167	-35.5	154.3	53.2	0	0	0	0	118	S727	S727-S729 PolarHBondContact O-N 3.18Å
730	E	32.8	Very low	30.8	Very low	178 Å²	178	136.3 Å²	136.3	83%	0.832	74%	0.741	S	S	*	*	S	Bend	trans	-125.5	7.3	-161.4	-69.6	-164.7	159.5	0	0	118.6
731	C	26.7	Very low	30.9	Very low	128 Å²	128	129.1 Å²	129.1	87%	0.865	72%	0.715	S	S	*	*			trans	-123.5	66.1	-176.1	-108.4	0	0	0	0	114.8
732	S	29.5	Very low	31.1	Very low	122 Å²	122	129.3 Å²	129.3	85%	0.853	72%	0.715	S	S	*	*			trans	-114	14.1	179.1	61.4	0	0	0	0	115.3
733	S	36	Very low	31.3	Very low	85 Å²	85	129 Å²	129	59%	0.594	70%	0.702	S	S	*	*			trans	-110.9	2.5	-167.4	65.5	0	0	0	0	117.1
734	Y	30.6	Very low	31.1	Very low	156 Å²	156	129.6 Å²	129.6	61%	0.612	70%	0.699	S	S	*	*			trans	-126.3	117.2	-171	-70	-70.9	0	0	0	113.1	E738	Y734-E738 WeakPolarHBondContact CD1-OE2 3.39Å; Y734-E738 WeakPolarHBondContact CE1-OE2 3.32Å
735	G	31	Very low	31.4	Very low	47 Å²	47	125.9 Å²	125.9	49%	0.485	68%	0.683	S	S	.	*			trans	-84.9	178.6	-173.7	0	0	0	0	0	114.9	E737	G735-E737 VanDerWaalsContact C-N 3.26Å; G735-E737 PolarHBondContact O-N 3.39Å
736	P	35.6	Very low	31.6	Very low	108 Å²	108	126.9 Å²	126.9	70%	0.701	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-62.9	-25	-172.5	-23.9	35.1	0	0	0	115.5	E738	P736-E738 VanDerWaalsContact C-N 3.3Å; P736-E738 PolarHBondContact O-N 2.82Å
737	E	37.8	Very low	31.8	Very low	183 Å²	183	119.4 Å²	119.4	86%	0.855	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-74	-11.9	-170.9	-59.7	-171.4	166.7	0	0	114.8	G735 R739	G735-E737 VanDerWaalsContact C-N 3.26Å; G735-E737 PolarHBondContact O-N 3.39Å; E737-R739 VanDerWaalsContact C-N 3.33Å; E737-R739 PolarHBondContact O-N 3.01Å
738	E	35.1	Very low	31.9	Very low	91 Å²	91	118.3 Å²	118.3	43%	0.425	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-82.7	-4.2	-178.8	-66.9	-145.7	121	0	0	114.9	Y734 P736 K741	Y734-E738 WeakPolarHBondContact CD1-OE2 3.39Å; Y734-E738 WeakPolarHBondContact CE1-OE2 3.32Å; P736-E738 VanDerWaalsContact C-N 3.3Å; P736-E738 PolarHBondContact O-N 2.82Å; E738-K741 IonicContact OE1-NZ 2.8Å; E738-K741 PolarHBondContact OE1-NZ 3.45Å
739	R	32.2	Very low	32.4	Very low	216 Å²	216	113.5 Å²	113.5	82%	0.815	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-80.1	-15.9	-173.9	-60.3	-172.2	-166.6	-165	4.8	114.8	E737	E737-R739 VanDerWaalsContact C-N 3.33Å; E737-R739 PolarHBondContact O-N 3.01Å
740	D	28.6	Very low	32.7	Very low	146 Å²	146	110.5 Å²	110.5	78%	0.781	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-108.1	17.5	-170.6	-72	-31.2	0	0	0	115	H742	D740-H742 PolarHBondContact O-N 3.29Å
741	K	29.4	Very low	33.1	Very low	79 Å²	79	104.5 Å²	104.5	34%	0.343	56%	0.559	S	S	.	*			trans	-71.6	94.8	177.3	-72.7	175.5	179.4	166.2	0	111.9	E738 Y743	E738-K741 IonicContact OE1-NZ 2.8Å; E738-K741 PolarHBondContact OE1-NZ 3.45Å; K741-Y743 HydrophobicContact CB-CE2 3.96Å; K741-Y743 VanDerWaalsContact O-CD2 3.32Å; K741-Y743 WeakPolarHBondContact O-CD2 3.41Å
742	H	30.5	Very low	33.6	Very low	178 Å²	178	101 Å²	101	82%	0.824	53%	0.534	S	S	*	.			trans	-71.9	126	165.8	-85.5	-43.3	0	0	0	111.3	D740	D740-H742 PolarHBondContact O-N 3.29Å
743	Y	32	Very low	34.2	Very low	75 Å²	75	100.7 Å²	100.7	29%	0.294	51%	0.514	S	S	.	.			trans	-104.5	127.4	174.1	-68.2	-92.9	0	0	0	110.3	T689 P691 I700 K741 F745	T689-Y743 WeakPolarHBondContact O-CE1 3.48Å; P691-Y743 HydrophobicContact CG-CE1 4.08Å; I700-Y743 HydrophobicContact CD1-CD1 4.48Å; I700-Y743 HydrophobicContact CD1-CE1 4.1Å; I700-Y743 HydrophobicContact CD1-CE2 4.48Å; K741-Y743 HydrophobicContact CB-CE2 3.96Å; K741-Y743 VanDerWaalsContact O-CD2 3.32Å; K741-Y743 WeakPolarHBondContact O-CD2 3.41Å; Y743-F745 HydrophobicContact CG-CE2 4.45Å
744	D	29.2	Very low	34.2	Very low	135 Å²	135	103.6 Å²	103.6	72%	0.722	52%	0.516	S	S	*	.			trans	-96.4	122.3	177.2	-149.5	6.7	0	0	0	109.2
745	F	35.2	Very low	34.3	Very low	81 Å²	81	100 Å²	100	36%	0.355	51%	0.513	S	S	.	.			trans	-121.9	133	-176.2	-75.2	-83.8	0	0	0	110.5	I700 Y743 G747	I700-F745 HydrophobicContact CG2-CZ 4.18Å; Y743-F745 HydrophobicContact CG-CE2 4.45Å; F745-G747 PolarHBondContact O-N 2.71Å
746	D	32	Very low	34.1	Very low	103 Å²	103	102.2 Å²	102.2	55%	0.551	52%	0.522	S	S	*	.	S	Bend	trans	-72.1	-12.4	176.9	-101.3	-25.4	0	0	0	113.5	R607	R607-D746 IonicContact NH1-OD1 2.68Å
747	G	33.3	Very low	33.9	Very low	11 Å²	11	104.9 Å²	104.9	11%	0.113	53%	0.529	C	S	.	.			trans	163.5	167.2	168	0	0	0	0	0	115	F745	F745-G747 PolarHBondContact O-N 2.71Å
748	A	33.1	Very low	33.7	Very low	80 Å²	80	99.9 Å²	99.9	66%	0.661	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	132	167.9	0	0	0	0	0	109	A780	A748-A780 WeakPolarHBondContact CA-O 3.43Å
749	Y	38.1	Very low	33.6	Very low	73 Å²	73	98.3 Å²	98.3	29%	0.286	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.2	-172.6	-63.5	-102.4	0	0	0	111	V779 A780 Y781 V782 I801	Y749-V779 HydrophobicContact CD2-CG1 3.31Å; Y749-V779 HydrophobicContact CE2-CG1 3.62Å; Y749-V779 HydrophobicContact CE2-CG2 4.26Å; Y749-V779 HydrophobicContact CG-CG1 4.42Å; Y749-A780 PolarHBondContact N-O 2.81Å; Y749-Y781 CarbonylContact O-C 3.59Å; Y749-Y781 VanDerWaalsContact O-CA 3.3Å; Y749-Y781 WeakPolarHBondContact O-CA 3.45Å; Y749-V782 PolarHBondContact O-N 2.79Å; Y749-I801 HydrophobicContact CD1-CD1 4.08Å; Y749-I801 HydrophobicContact CD1-CG1 3.74Å; Y749-I801 HydrophobicContact CE1-CG1 4.06Å
750	V	38.1	Very low	33.6	Very low	45 Å²	45	99.2 Å²	99.2	27%	0.273	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.6	176	177.8	0	0	0	0	110.4	V782 L784 L794	V750-V782 CarbonylContact C-O 3.51Å; V750-V782 VanDerWaalsContact CA-O 3.32Å; V750-V782 WeakPolarHBondContact CA-O 3.5Å; V750-V782 HydrophobicContact CG2-CB 4.44Å; V750-L784 HydrophobicContact CG1-CB 3.87Å; V750-L784 HydrophobicContact CG1-CD1 3.75Å; V750-L784 HydrophobicContact CG1-CG 3.69Å; V750-L794 HydrophobicContact CB-CD1 3.86Å; V750-L794 HydrophobicContact CG1-CD1 3.8Å; V750-L794 HydrophobicContact CG2-CD1 3.72Å
751	V	41.7	Very low	33.9	Very low	53 Å²	53	100.8 Å²	100.8	32%	0.321	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.2	179.8	-176.3	0	0	0	0	109.1	R753 V782 Y783 L784	V751-R753 PolarHBondContact O-N 3.42Å; V751-V782 PolarHBondContact N-O 3.47Å; V751-Y783 HydrophobicContact CB-CD1 4.01Å; V751-Y783 HydrophobicContact CB-CE1 4.23Å; V751-Y783 HydrophobicContact CG1-CD1 4.19Å; V751-Y783 HydrophobicContact CG1-CE1 4.18Å; V751-L784 PolarHBondContact O-N 3.14Å
752	P	37.6	Very low	34.3	Very low	54 Å²	54	100.5 Å²	100.5	35%	0.351	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.2	178.3	-20.1	32.3	0	0	0	111.7	E786 A789	P752-E786 HydrophobicContact CB-CG 4.08Å; P752-A789 HydrophobicContact CG-CB 4.39Å
753	R	41.6	Very low	34.4	Very low	116 Å²	116	94 Å²	94	44%	0.438	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117	174.6	-162.6	174.5	-175.1	166.9	0.4	109.3	V751 S755 L784 E786	V751-R753 PolarHBondContact O-N 3.42Å; R753-S755 PolarHBondContact O-N 3.16Å; R753-S755 VanDerWaalsContact O-N 3.14Å; R753-L784 PolarHBondContact N-O 3.25Å; R753-E786 PolarHBondContact O-N 3.27Å
754	K	36.6	Very low	34.5	Very low	146 Å²	146	95.7 Å²	95.7	64%	0.635	50%	0.503	S	S	*	.			trans	-64.7	111.1	169.4	-90.9	174.8	176.4	152.6	0	109.8	S756 E786	K754-S756 PolarHBondContact O-N 2.93Å; K754-E786 WeakPolarHBondContact CE-OE1 3.42Å; K754-E786 VanDerWaalsContact CG-OE1 3.25Å; K754-E786 WeakPolarHBondContact CG-OE1 3.46Å
755	S	31.9	Very low	34.8	Very low	79 Å²	79	97 Å²	97	55%	0.552	50%	0.502	S	S	*	.			trans	-72.7	114.1	-179.6	60.8	0	0	0	0	110.5	R753	R753-S755 PolarHBondContact O-N 3.16Å; R753-S755 VanDerWaalsContact O-N 3.14Å
756	S	27	Very low	34.9	Very low	94 Å²	94	96.5 Å²	96.5	66%	0.657	50%	0.498	S	S	*	.			trans	-140.3	124.3	155.6	66.9	0	0	0	0	108.7	K754	K754-S756 PolarHBondContact O-N 2.93Å
757	L	31	Very low	35	Very low	164 Å²	164	99.1 Å²	99.1	86%	0.859	51%	0.505	S	S	*	.	S	Bend	trans	90.2	15	162.5	-49.5	168.1	0	0	0	120.3
758	I	33.3	Very low	35.1	Very low	78 Å²	78	107.4 Å²	107.4	40%	0.4	54%	0.541	S	S	.	.			trans	-115.7	133.1	174.6	-60.1	-174.7	0	0	0	110.5	D762 V763 Y766	I758-D762 HydrophobicContact CG2-CB 3.72Å; I758-V763 HydrophobicContact CG2-CG2 4.22Å; I758-Y766 HydrophobicContact CD1-CD2 4.38Å; I758-Y766 HydrophobicContact CD1-CE2 4.37Å
759	S	34.2	Very low	35.8	Very low	58 Å²	58	108.7 Å²	108.7	41%	0.406	54%	0.536	S	S	.	.			trans	-83.4	155.1	178.1	94.7	0	0	0	0	111.2	K761 D762 V763	S759-K761 PolarHBondContact O-N 2.77Å; S759-K761 PolarHBondContact OG-N 3.41Å; S759-D762 WeakPolarHBondContact CB-OD2 3.48Å; S759-D762 PolarHBondContact N-OD2 3.44Å; S759-D762 PolarHBondContact O-N 3.28Å; S759-D762 PolarHBondContact OG-OD2 3.28Å; S759-V763 PolarHBondContact O-N 3.19Å
760	R	31.1	Very low	36.1	Very low	235 Å²	235	107.8 Å²	107.8	89%	0.887	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.5	180	-150.5	178.8	-166.2	177.1	4.5	114.3
761	K	34.9	Very low	36.2	Very low	180 Å²	180	107.8 Å²	107.8	78%	0.783	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-32.5	173.2	-70.8	-174.6	173.8	-175.6	0	112.7	S759	S759-K761 PolarHBondContact O-N 2.77Å; S759-K761 PolarHBondContact OG-N 3.41Å
762	D	38.2	Very low	36.2	Very low	72 Å²	72	106.1 Å²	106.1	39%	0.385	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-23.1	-176.5	-50.1	-55.4	0	0	0	111.8	I758 S759 V764 K765 Y766	I758-D762 HydrophobicContact CG2-CB 3.72Å; S759-D762 WeakPolarHBondContact CB-OD2 3.48Å; S759-D762 PolarHBondContact N-OD2 3.44Å; S759-D762 PolarHBondContact O-N 3.28Å; S759-D762 PolarHBondContact OG-OD2 3.28Å; D762-V764 PolarHBondContact O-N 3.19Å; D762-K765 VanDerWaalsContact O-CB 3.24Å; D762-K765 WeakPolarHBondContact O-CB 3.35Å; D762-K765 PolarHBondContact O-N 2.95Å; D762-Y766 WeakPolarHBondContact O-CD2 3.4Å
763	V	33	Very low	36.4	Very low	41 Å²	41	106.3 Å²	106.3	25%	0.248	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-51.6	-37.7	173	174.1	0	0	0	0	112.3	I758 S759 K765 Y766	I758-V763 HydrophobicContact CG2-CG2 4.22Å; S759-V763 PolarHBondContact O-N 3.19Å; V763-K765 PolarHBondContact O-N 3.5Å; V763-Y766 PolarHBondContact O-N 3.43Å
764	V	32.9	Very low	36.5	Very low	111 Å²	111	101.3 Å²	101.3	67%	0.673	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-64.3	-28.8	177.9	-177.4	0	0	0	0	112	D762	D762-V764 PolarHBondContact O-N 3.19Å
765	K	35.7	Very low	36.6	Very low	163 Å²	163	98.2 Å²	98.2	71%	0.709	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-78.8	-24.7	-175.1	-154.4	-174.2	-179.1	-161.1	0	113.2	D762 V763	D762-K765 VanDerWaalsContact O-CB 3.24Å; D762-K765 WeakPolarHBondContact O-CB 3.35Å; D762-K765 PolarHBondContact O-N 2.95Å; V763-K765 PolarHBondContact O-N 3.5Å
766	Y	37	Very low	36.9	Very low	70 Å²	70	102.6 Å²	102.6	28%	0.275	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-96.3	10.4	-176.4	-69.1	-67	0	0	0	114.3	I758 D762 V763 E768 N769 Y770	I758-Y766 HydrophobicContact CD1-CD2 4.38Å; I758-Y766 HydrophobicContact CD1-CE2 4.37Å; D762-Y766 WeakPolarHBondContact O-CD2 3.4Å; V763-Y766 PolarHBondContact O-N 3.43Å; Y766-E768 PolarHBondContact O-N 3.13Å; Y766-N769 PolarHBondContact O-N 2.93Å; Y766-Y770 VanDerWaalsContact O-CD2 3.24Å; Y766-Y770 WeakPolarHBondContact O-CD2 3.24Å; Y766-Y770 WeakPolarHBondContact O-CE2 3.48Å
767	K	35	Very low	37.3	Very low	159 Å²	159	100.6 Å²	100.6	69%	0.691	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-56.2	-20.1	-169.8	-136.7	-177.4	-178.5	-168	0	115.1	Y770	K767-Y770 WeakPolarHBondContact O-CD2 3.43Å
768	E	35.7	Very low	37.5	Very low	185 Å²	185	95.4 Å²	95.4	86%	0.864	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-81.4	-18.3	179.8	-57.5	-174	160.1	0	0	113.7	Y766 Y770	Y766-E768 PolarHBondContact O-N 3.13Å; E768-Y770 PolarHBondContact O-N 3.24Å
769	N	46.2	Very low	37.8	Very low	106 Å²	106	91.8 Å²	91.8	57%	0.567	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-96	19.3	-175.7	-71.9	-35.5	0	0	0	114.1	Y766 Y783	Y766-N769 PolarHBondContact O-N 2.93Å; N769-Y783 WeakPolarHBondContact O-CD2 3.45Å
770	Y	46.1	Very low	38.1	Very low	55 Å²	55	89.8 Å²	89.8	22%	0.216	45%	0.447	C	S	.	.	S	Bend	trans	-90.7	-10	-172.4	-80.5	-104.6	0	0	0	114.5	Y766 K767 E768 V782 Y783	Y766-Y770 VanDerWaalsContact O-CD2 3.24Å; Y766-Y770 WeakPolarHBondContact O-CD2 3.24Å; Y766-Y770 WeakPolarHBondContact O-CE2 3.48Å; K767-Y770 WeakPolarHBondContact O-CD2 3.43Å; E768-Y770 PolarHBondContact O-N 3.24Å; Y770-V782 CarbonylContact O-C 3.41Å; Y770-V782 WeakPolarHBondContact O-CA 3.35Å; Y770-Y783 WeakPolarHBondContact CD1-O 3.48Å; Y770-Y783 PolarHBondContact O-N 3.46Å
771	V	39.4	Very low	39	Very low	45 Å²	45	79.2 Å²	79.2	27%	0.273	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.2	-178	-170	0	0	0	0	110.8	A701 F773 Y781	A701-V771 HydrophobicContact CB-CG1 4.47Å; V771-F773 HydrophobicContact CG1-CE1 4.25Å; V771-F773 HydrophobicContact CG1-CE2 3.74Å; V771-F773 HydrophobicContact CG1-CZ 3.58Å; V771-Y781 CarbonylContact C-O 3.52Å; V771-Y781 VanDerWaalsContact CA-O 3.26Å; V771-Y781 WeakPolarHBondContact CA-O 3.48Å
772	G	41.8	Very low	39.3	Very low	17 Å²	17	72.1 Å²	72.1	18%	0.175	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	161.6	171.1	0	0	0	0	0	111.5	Y781	G772-Y781 PolarHBondContact N-O 2.75Å; G772-Y781 PolarHBondContact O-N 3.41Å
773	F	41.5	Very low	39.7	Very low	58 Å²	58	71.3 Å²	71.3	25%	0.254	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145	-179.6	-61.9	-86.1	0	0	0	111.6	L697 I700 A701 V771 V779 A780	L697-F773 HydrophobicContact CB-CD2 4.49Å; L697-F773 HydrophobicContact CD2-CB 4.24Å; L697-F773 HydrophobicContact CD2-CD1 4.16Å; L697-F773 HydrophobicContact CD2-CD2 4.38Å; L697-F773 HydrophobicContact CD2-CG 4Å; I700-F773 HydrophobicContact CG2-CE1 4.45Å; A701-F773 HydrophobicContact CB-CE2 3.84Å; A701-F773 HydrophobicContact CB-CZ 3.71Å; V771-F773 HydrophobicContact CG1-CE1 4.25Å; V771-F773 HydrophobicContact CG1-CE2 3.74Å; V771-F773 HydrophobicContact CG1-CZ 3.58Å; F773-V779 CarbonylContact C-O 3.56Å; F773-V779 WeakPolarHBondContact CA-O 3.38Å; F773-A780 HydrophobicContact CD1-CB 3.97Å; F773-A780 HydrophobicContact CE1-CB 3.81Å
774	S	43.2	Very low	40.2	Very low	12 Å²	12	71.3 Å²	71.3	8%	0.084	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.8	166.4	164	0	0	0	0	109.2	E776 P777 P778 V779 Y781	S774-E776 PolarHBondContact OG-N 2.93Å; S774-P777 CarbonylContact C-O 3.5Å; S774-P777 WeakPolarHBondContact CB-O 3.27Å; S774-P777 PolarHBondContact OG-O 3.36Å; S774-P778 WeakPolarHBondContact O-CA 3.41Å; S774-V779 PolarHBondContact N-O 3.47Å; S774-V779 PolarHBondContact O-N 3.37Å; S774-V779 VanDerWaalsContact O-N 3.07Å; S774-Y781 WeakPolarHBondContact CB-OH 3.48Å
775	A	39	Very low	40.8	Very low	81 Å²	81	68.9 Å²	68.9	67%	0.669	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-33.7	175.4	0	0	0	0	0	112.7	P777	A775-P777 CarbonylContact C-O 3.54Å; A775-P777 CarbonylContact O-C 3.53Å
776	E	39.3	Very low	41.1	Very low	170 Å²	170	64 Å²	64	79%	0.794	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	100.7	-178.2	-70.3	-171.6	167	0	0	110.9	S774	S774-E776 PolarHBondContact OG-N 2.93Å
777	P	34	Very low	41.4	Very low	52 Å²	52	64.8 Å²	64.8	34%	0.338	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	cis	-69.1	160	-5.8	29.1	-34.2	0	0	0	112.9	S774 A775 V779 L805	S774-P777 CarbonylContact C-O 3.5Å; S774-P777 WeakPolarHBondContact CB-O 3.27Å; S774-P777 PolarHBondContact OG-O 3.36Å; A775-P777 CarbonylContact C-O 3.54Å; A775-P777 CarbonylContact O-C 3.53Å; P777-V779 HydrophobicContact CB-CG2 4Å; P777-V779 HydrophobicContact CG-CG2 3.77Å; P777-V779 PolarHBondContact O-N 3.12Å; P777-V779 VanDerWaalsContact O-N 3.07Å; P777-L805 HydrophobicContact CG-CD1 4.28Å
778	P	35.5	Very low	41.7	Very low	56 Å²	56	61.6 Å²	61.6	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	98.7	178.2	29.5	-34.4	0	0	0	110.4	S774	S774-P778 WeakPolarHBondContact O-CA 3.41Å
779	V	40.2	Very low	42.1	Very low	2 Å²	2	52.9 Å²	52.9	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.2	-168.2	177.5	0	0	0	0	111.4	Y749 F773 S774 P777 Y781	Y749-V779 HydrophobicContact CD2-CG1 3.31Å; Y749-V779 HydrophobicContact CE2-CG1 3.62Å; Y749-V779 HydrophobicContact CE2-CG2 4.26Å; Y749-V779 HydrophobicContact CG-CG1 4.42Å; F773-V779 CarbonylContact C-O 3.56Å; F773-V779 WeakPolarHBondContact CA-O 3.38Å; S774-V779 PolarHBondContact N-O 3.47Å; S774-V779 PolarHBondContact O-N 3.37Å; S774-V779 VanDerWaalsContact O-N 3.07Å; P777-V779 HydrophobicContact CB-CG2 4Å; P777-V779 HydrophobicContact CG-CG2 3.77Å; P777-V779 PolarHBondContact O-N 3.12Å; P777-V779 VanDerWaalsContact O-N 3.07Å; V779-Y781 HydrophobicContact CB-CE1 4.18Å; V779-Y781 HydrophobicContact CG1-CD1 3.91Å; V779-Y781 HydrophobicContact CG1-CE1 3.4Å; V779-Y781 VanDerWaalsContact CG1-CE1 3.4Å
780	A	41	Very low	41.8	Very low	15 Å²	15	54.3 Å²	54.3	12%	0.124	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135	169.4	0	0	0	0	0	111.2	A748 Y749 F773	A748-A780 WeakPolarHBondContact CA-O 3.43Å; Y749-A780 PolarHBondContact N-O 2.81Å; F773-A780 HydrophobicContact CD1-CB 3.97Å; F773-A780 HydrophobicContact CE1-CB 3.81Å
781	Y	48.3	Very low	41.6	Very low	13 Å²	13	57.7 Å²	57.7	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.8	177.9	-48.1	-69.1	0	0	0	110	Y749 V771 G772 S774 V779 I809	Y749-Y781 CarbonylContact O-C 3.59Å; Y749-Y781 VanDerWaalsContact O-CA 3.3Å; Y749-Y781 WeakPolarHBondContact O-CA 3.45Å; V771-Y781 CarbonylContact C-O 3.52Å; V771-Y781 VanDerWaalsContact CA-O 3.26Å; V771-Y781 WeakPolarHBondContact CA-O 3.48Å; G772-Y781 PolarHBondContact N-O 2.75Å; G772-Y781 PolarHBondContact O-N 3.41Å; S774-Y781 WeakPolarHBondContact CB-OH 3.48Å; V779-Y781 HydrophobicContact CB-CE1 4.18Å; V779-Y781 HydrophobicContact CG1-CD1 3.91Å; V779-Y781 HydrophobicContact CG1-CE1 3.4Å; V779-Y781 VanDerWaalsContact CG1-CE1 3.4Å; Y781-I809 HydrophobicContact CD1-CD1 4.3Å; Y781-I809 HydrophobicContact CE1-CD1 3.49Å; Y781-I809 VanDerWaalsContact CE1-CD1 3.49Å; Y781-I809 HydrophobicContact CE1-CG1 4.35Å; Y781-I809 HydrophobicContact CE2-CD1 4.36Å; Y781-I809 HydrophobicContact CE2-CG1 4.42Å; Y781-I809 WeakPolarHBondContact OH-CD1 3.48Å
782	V	42.5	Very low	41.6	Very low	32 Å²	32	56.6 Å²	56.6	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.9	172.4	-177.9	0	0	0	0	109.8	Y749 V750 V751 Y770 L784	Y749-V782 PolarHBondContact O-N 2.79Å; V750-V782 CarbonylContact C-O 3.51Å; V750-V782 VanDerWaalsContact CA-O 3.32Å; V750-V782 WeakPolarHBondContact CA-O 3.5Å; V750-V782 HydrophobicContact CG2-CB 4.44Å; V751-V782 PolarHBondContact N-O 3.47Å; Y770-V782 CarbonylContact O-C 3.41Å; Y770-V782 WeakPolarHBondContact O-CA 3.35Å; V782-L784 HydrophobicContact CG1-CD2 4.21Å; V782-L784 HydrophobicContact CG1-CG 4.42Å
783	Y	46.3	Very low	41.3	Very low	54 Å²	54	57.7 Å²	57.7	21%	0.212	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.7	174.1	-62.2	-78.5	0	0	0	109.9	V751 N769 Y770 M813	V751-Y783 HydrophobicContact CB-CD1 4.01Å; V751-Y783 HydrophobicContact CB-CE1 4.23Å; V751-Y783 HydrophobicContact CG1-CD1 4.19Å; V751-Y783 HydrophobicContact CG1-CE1 4.18Å; N769-Y783 WeakPolarHBondContact O-CD2 3.45Å; Y770-Y783 WeakPolarHBondContact CD1-O 3.48Å; Y770-Y783 PolarHBondContact O-N 3.46Å; Y783-M813 WeakPolarHBondContact OH-CE 3.4Å
784	L	43.7	Very low	41.1	Very low	41 Å²	41	56.7 Å²	56.7	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.6	171.5	-68.2	-171.4	0	0	0	110.2	V750 V751 R753 V782 E788 A789 L794	V750-L784 HydrophobicContact CG1-CB 3.87Å; V750-L784 HydrophobicContact CG1-CD1 3.75Å; V750-L784 HydrophobicContact CG1-CG 3.69Å; V751-L784 PolarHBondContact O-N 3.14Å; R753-L784 PolarHBondContact N-O 3.25Å; V782-L784 HydrophobicContact CG1-CD2 4.21Å; V782-L784 HydrophobicContact CG1-CG 4.42Å; L784-E788 HydrophobicContact CB-CB 4.14Å; L784-E788 HydrophobicContact CD1-CB 4.42Å; L784-A789 HydrophobicContact CB-CB 4.4Å; L784-L794 HydrophobicContact CD1-CD1 3.83Å
785	E	45.1	Very low	41	Very low	60 Å²	60	63.3 Å²	63.3	28%	0.28	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	152.6	168.1	-66.7	-142.3	134.3	0	0	110.9	T787 E788 A789	E785-T787 PolarHBondContact O-N 2.94Å; E785-T787 VanDerWaalsContact O-N 3.13Å; E785-E788 HydrophobicContact CB-CG 4.29Å; E785-E788 PolarHBondContact N-OE2 2.98Å; E785-E788 PolarHBondContact O-N 3.01Å; E785-A789 PolarHBondContact O-N 3.3Å
786	E	43.3	Very low	40.8	Very low	61 Å²	61	67.8 Å²	67.8	29%	0.285	35%	0.354	S	S	.	.	H	α-helix	trans	-52.4	-36.6	179.1	-86	177.8	151.4	0	0	112.3	P752 R753 K754 E790	P752-E786 HydrophobicContact CB-CG 4.08Å; R753-E786 PolarHBondContact O-N 3.27Å; K754-E786 WeakPolarHBondContact CE-OE1 3.42Å; K754-E786 VanDerWaalsContact CG-OE1 3.25Å; K754-E786 WeakPolarHBondContact CG-OE1 3.46Å; E786-E790 VanDerWaalsContact O-CB 3.23Å; E786-E790 WeakPolarHBondContact O-CB 3.38Å; E786-E790 PolarHBondContact O-N 3.08Å
787	T	42	Very low	40.5	Very low	87 Å²	87	62.2 Å²	62.2	53%	0.534	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-37.3	176.4	48.1	0	0	0	0	113.4	E785 V791	E785-T787 PolarHBondContact O-N 2.94Å; E785-T787 VanDerWaalsContact O-N 3.13Å; T787-V791 WeakPolarHBondContact O-CB 3.2Å; T787-V791 VanDerWaalsContact O-CG2 3.24Å; T787-V791 WeakPolarHBondContact O-CG2 3.24Å; T787-V791 PolarHBondContact O-N 3.32Å
788	E	42.6	Very low	40.4	Very low	91 Å²	91	61.8 Å²	61.8	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-72.3	-41.7	177	-64.4	174.9	143	0	0	110.5	L784 E785 E790 A792	L784-E788 HydrophobicContact CB-CB 4.14Å; L784-E788 HydrophobicContact CD1-CB 4.42Å; E785-E788 HydrophobicContact CB-CG 4.29Å; E785-E788 PolarHBondContact N-OE2 2.98Å; E785-E788 PolarHBondContact O-N 3.01Å; E788-E790 VanDerWaalsContact C-N 3.31Å; E788-E790 PolarHBondContact O-N 2.78Å; E788-A792 WeakPolarHBondContact O-CB 3.25Å; E788-A792 PolarHBondContact O-N 3.02Å
789	A	42.5	Very low	40.4	Very low	2 Å²	2	67.8 Å²	67.8	2%	0.017	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-32.6	175.1	0	0	0	0	0	113	P752 L784 E785 G793 L794	P752-A789 HydrophobicContact CG-CB 4.39Å; L784-A789 HydrophobicContact CB-CB 4.4Å; E785-A789 PolarHBondContact O-N 3.3Å; A789-G793 PolarHBondContact O-N 3.16Å; A789-L794 PolarHBondContact O-N 3.5Å
790	E	40.7	Very low	40.1	Very low	136 Å²	136	72.2 Å²	72.2	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-75.7	-45.1	175.8	-172	169.6	-152.3	0	0	112.4	E786 E788 A792 G793	E786-E790 VanDerWaalsContact O-CB 3.23Å; E786-E790 WeakPolarHBondContact O-CB 3.38Å; E786-E790 PolarHBondContact O-N 3.08Å; E788-E790 VanDerWaalsContact C-N 3.31Å; E788-E790 PolarHBondContact O-N 2.78Å; E790-A792 PolarHBondContact O-N 3.49Å; E790-G793 PolarHBondContact O-N 3.25Å
791	V	41.3	Very low	39.8	Very low	126 Å²	126	74.5 Å²	74.5	76%	0.764	40%	0.395	S	S	*	.	H	α-helix	trans	-62	-31.7	172.2	169.5	0	0	0	0	111.6	T787 G793	T787-V791 WeakPolarHBondContact O-CB 3.2Å; T787-V791 VanDerWaalsContact O-CG2 3.24Å; T787-V791 WeakPolarHBondContact O-CG2 3.24Å; T787-V791 PolarHBondContact O-N 3.32Å; V791-G793 VanDerWaalsContact C-N 3.32Å
792	A	39.5	Very low	39.2	Very low	23 Å²	23	76.6 Å²	76.6	19%	0.19	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.8	172.9	0	0	0	0	0	114.4	M593 E788 E790 L794	M593-A792 HydrophobicContact CE-CB 4.19Å; M593-A792 WeakPolarHBondContact CE-O 3.49Å; M593-A792 HydrophobicContact SD-CB 3.93Å; E788-A792 WeakPolarHBondContact O-CB 3.25Å; E788-A792 PolarHBondContact O-N 3.02Å; E790-A792 PolarHBondContact O-N 3.49Å; A792-L794 HydrophobicContact CB-CD1 3.69Å; A792-L794 HydrophobicContact CB-CG 3.79Å; A792-L794 PolarHBondContact O-N 3.45Å
793	G	34.9	Very low	38.9	Very low	40 Å²	40	79.8 Å²	79.8	41%	0.412	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	12	177.7	0	0	0	0	0	115.7	A789 E790 V791 W795 Q796	A789-G793 PolarHBondContact O-N 3.16Å; E790-G793 PolarHBondContact O-N 3.25Å; V791-G793 VanDerWaalsContact C-N 3.32Å; G793-W795 PolarHBondContact O-N 2.77Å; G793-W795 VanDerWaalsContact O-N 3.15Å; G793-Q796 PolarHBondContact O-N 3.03Å; G793-Q796 VanDerWaalsContact O-N 3.14Å
794	L	38.3	Very low	38.5	Very low	37 Å²	37	83 Å²	83	19%	0.194	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-69.9	-15.3	-168.7	-67.8	168.1	0	0	0	113.8	V750 L784 A789 A792 Q796 A797 G798	V750-L794 HydrophobicContact CB-CD1 3.86Å; V750-L794 HydrophobicContact CG1-CD1 3.8Å; V750-L794 HydrophobicContact CG2-CD1 3.72Å; L784-L794 HydrophobicContact CD1-CD1 3.83Å; A789-L794 PolarHBondContact O-N 3.5Å; A792-L794 HydrophobicContact CB-CD1 3.69Å; A792-L794 HydrophobicContact CB-CG 3.79Å; A792-L794 PolarHBondContact O-N 3.45Å; L794-Q796 PolarHBondContact O-N 3.13Å; L794-Q796 VanDerWaalsContact O-N 3.13Å; L794-A797 PolarHBondContact O-N 3.49Å; L794-G798 PolarHBondContact O-N 2.91Å
795	W	40.2	Very low	38.3	Very low	151 Å²	151	82.3 Å²	82.3	57%	0.572	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-56.9	-21.7	169.2	-78	102.7	0	0	0	114.1	G793	G793-W795 PolarHBondContact O-N 2.77Å; G793-W795 VanDerWaalsContact O-N 3.15Å
796	Q	34.9	Very low	38.2	Very low	174 Å²	174	85.1 Å²	85.1	81%	0.813	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-82.9	-21.5	173.7	-65.4	-169.9	1.8	0	0	113.5	G793 L794	G793-Q796 PolarHBondContact O-N 3.03Å; G793-Q796 VanDerWaalsContact O-N 3.14Å; L794-Q796 PolarHBondContact O-N 3.13Å; L794-Q796 VanDerWaalsContact O-N 3.13Å
797	A	32.8	Very low	38.2	Very low	54 Å²	54	87.7 Å²	87.7	45%	0.446	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-30.2	179.8	0	0	0	0	0	113.1	L794 K799	L794-A797 PolarHBondContact O-N 3.49Å; A797-K799 PolarHBondContact O-N 3.28Å
798	G	33.1	Very low	38.3	Very low	43 Å²	43	88.6 Å²	88.6	44%	0.443	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-67.4	1.2	-174.9	0	0	0	0	0	117.1	L794 D800	L794-G798 PolarHBondContact O-N 2.91Å; G798-D800 VanDerWaalsContact C-N 3.28Å; G798-D800 PolarHBondContact O-N 3.07Å
799	K	34.3	Very low	38.3	Very low	182 Å²	182	85.9 Å²	85.9	79%	0.791	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-72.3	-17.3	179.6	-80.9	-175.3	174.7	178	0	114.8	A797	A797-K799 PolarHBondContact O-N 3.28Å
800	D	34.9	Very low	38.4	Very low	95 Å²	95	90.8 Å²	90.8	51%	0.508	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-100.1	4.1	-173.9	-79	19.7	0	0	0	113.5	R604 G798 S802	R604-D800 IonicContact CZ-OD2 2.82Å; R604-D800 VanDerWaalsContact CZ-OD2 3.3Å; R604-D800 IonicContact NH1-OD2 3.2Å; R604-D800 PolarHBondContact NH1-OD2 3.43Å; R604-D800 IonicContact NH2-OD2 3.81Å; R604-D800 PolarHBondContact NH2-OD2 3.24Å; G798-D800 VanDerWaalsContact C-N 3.28Å; G798-D800 PolarHBondContact O-N 3.07Å; D800-S802 PolarHBondContact O-N 3.22Å; D800-S802 VanDerWaalsContact O-N 3.17Å
801	I	35.3	Very low	38.6	Very low	62 Å²	62	87.9 Å²	87.9	32%	0.318	46%	0.457	S	S	.	.			trans	-71.1	112.2	172.3	-61.7	176.6	0	0	0	108.7	Y749 I803	Y749-I801 HydrophobicContact CD1-CD1 4.08Å; Y749-I801 HydrophobicContact CD1-CG1 3.74Å; Y749-I801 HydrophobicContact CE1-CG1 4.06Å; I801-I803 PolarHBondContact O-N 3.38Å
802	S	34.9	Very low	38.8	Very low	58 Å²	58	85.4 Å²	85.4	41%	0.406	44%	0.437	S	S	.	.			trans	-52.1	131.8	170.7	160.8	0	0	0	0	110.6	D800 D804 L805 Y806	D800-S802 PolarHBondContact O-N 3.22Å; D800-S802 VanDerWaalsContact O-N 3.17Å; S802-D804 PolarHBondContact O-N 3.15Å; S802-D804 PolarHBondContact OG-N 2.98Å; S802-L805 WeakPolarHBondContact O-CB 3.43Å; S802-L805 PolarHBondContact O-N 3.29Å; S802-Y806 PolarHBondContact O-N 3.43Å; S802-Y806 VanDerWaalsContact O-N 3.09Å
803	I	37.1	Very low	39	Very low	99 Å²	99	88.4 Å²	88.4	51%	0.508	45%	0.448	S	S	.	.	H	α-helix	trans	-61.5	-30.1	178.8	-162.8	157.8	0	0	0	111.7	I801 Y806 F807	I801-I803 PolarHBondContact O-N 3.38Å; I803-Y806 PolarHBondContact O-N 3.03Å; I803-F807 HydrophobicContact CD1-CE2 4.26Å; I803-F807 HydrophobicContact CG1-CD2 3.94Å; I803-F807 HydrophobicContact CG1-CE2 3.77Å; I803-F807 WeakPolarHBondContact O-CD2 3.44Å; I803-F807 PolarHBondContact O-N 3.04Å
804	D	36.8	Very low	39.5	Very low	122 Å²	122	92.7 Å²	92.7	65%	0.652	45%	0.452	S	S	*	.	H	α-helix	trans	-67.1	-38.1	174.6	-59.1	-55.7	0	0	0	111.5	S802 F807 H808	S802-D804 PolarHBondContact O-N 3.15Å; S802-D804 PolarHBondContact OG-N 2.98Å; D804-F807 PolarHBondContact O-N 3.29Å; D804-H808 WeakPolarHBondContact O-CB 3.37Å; D804-H808 PolarHBondContact O-N 3.11Å
805	L	40.6	Very low	39.7	Very low	25 Å²	25	95.9 Å²	95.9	13%	0.131	47%	0.466	C	S	.	.	H	α-helix	trans	-67.3	-42.9	175.4	-176.9	63	0	0	0	111.3	P777 S802 F807 H808 I809	P777-L805 HydrophobicContact CG-CD1 4.28Å; S802-L805 WeakPolarHBondContact O-CB 3.43Å; S802-L805 PolarHBondContact O-N 3.29Å; L805-F807 VanDerWaalsContact C-N 3.34Å; L805-F807 PolarHBondContact O-N 3.24Å; L805-H808 PolarHBondContact O-N 2.81Å; L805-I809 HydrophobicContact CD1-CD1 4.23Å; L805-I809 HydrophobicContact CD1-CG1 4.38Å; L805-I809 HydrophobicContact CG-CD1 3.98Å; L805-I809 VanDerWaalsContact O-CG1 3.31Å; L805-I809 WeakPolarHBondContact O-CG1 3.49Å; L805-I809 PolarHBondContact O-N 3.49Å
806	Y	42.8	Very low	39.9	Very low	119 Å²	119	93.9 Å²	93.9	47%	0.467	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-44.5	173.5	172.3	-95.2	0	0	0	112	S802 I803 K810	S802-Y806 PolarHBondContact O-N 3.43Å; S802-Y806 VanDerWaalsContact O-N 3.09Å; I803-Y806 PolarHBondContact O-N 3.03Å; Y806-K810 HydrophobicContact CE1-CD 3.84Å; Y806-K810 WeakPolarHBondContact O-CB 3.45Å; Y806-K810 PolarHBondContact O-N 3.47Å; Y806-K810 VanDerWaalsContact O-N 3.12Å; Y806-K810 PolarHBondContact OH-NZ 3.01Å; Y806-K810 VanDerWaalsContact OH-NZ 3.1Å
807	F	43.2	Very low	40.3	Very low	116 Å²	116	94.8 Å²	94.8	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-69.6	-33.9	176.5	-82.1	-64.7	0	0	0	113.1	I803 D804 L805 E811	I803-F807 HydrophobicContact CD1-CE2 4.26Å; I803-F807 HydrophobicContact CG1-CD2 3.94Å; I803-F807 HydrophobicContact CG1-CE2 3.77Å; I803-F807 WeakPolarHBondContact O-CD2 3.44Å; I803-F807 PolarHBondContact O-N 3.04Å; D804-F807 PolarHBondContact O-N 3.29Å; L805-F807 VanDerWaalsContact C-N 3.34Å; L805-F807 PolarHBondContact O-N 3.24Å; F807-E811 WeakPolarHBondContact O-CB 3.38Å; F807-E811 PolarHBondContact O-N 3.48Å
808	H	42.8	Very low	40.5	Very low	105 Å²	105	96.5 Å²	96.5	49%	0.486	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-54.5	175.6	-167.6	93.1	0	0	0	111.5	D804 L805 K810 E811 Q812	D804-H808 WeakPolarHBondContact O-CB 3.37Å; D804-H808 PolarHBondContact O-N 3.11Å; L805-H808 PolarHBondContact O-N 2.81Å; H808-K810 VanDerWaalsContact C-N 3.27Å; H808-K810 PolarHBondContact O-N 3.42Å; H808-E811 PolarHBondContact O-N 3.39Å; H808-E811 VanDerWaalsContact O-N 3.14Å; H808-Q812 PolarHBondContact O-N 3.04Å
809	I	43	Very low	40.8	Very low	34 Å²	34	99 Å²	99	17%	0.174	48%	0.478	C	S	.	.	H	α-helix	trans	-54.2	-46.9	176.5	-65	162.6	0	0	0	110.2	Y781 L805 E811 Q812 M813	Y781-I809 HydrophobicContact CD1-CD1 4.3Å; Y781-I809 HydrophobicContact CE1-CD1 3.49Å; Y781-I809 VanDerWaalsContact CE1-CD1 3.49Å; Y781-I809 HydrophobicContact CE1-CG1 4.35Å; Y781-I809 HydrophobicContact CE2-CD1 4.36Å; Y781-I809 HydrophobicContact CE2-CG1 4.42Å; Y781-I809 WeakPolarHBondContact OH-CD1 3.48Å; L805-I809 HydrophobicContact CD1-CD1 4.23Å; L805-I809 HydrophobicContact CD1-CG1 4.38Å; L805-I809 HydrophobicContact CG-CD1 3.98Å; L805-I809 VanDerWaalsContact O-CG1 3.31Å; L805-I809 WeakPolarHBondContact O-CG1 3.49Å; L805-I809 PolarHBondContact O-N 3.49Å; I809-E811 VanDerWaalsContact C-N 3.33Å; I809-E811 PolarHBondContact O-N 3.45Å; I809-Q812 PolarHBondContact O-N 3.39Å; I809-M813 HydrophobicContact CG2-CG 4.4Å; I809-M813 HydrophobicContact CG2-SD 4.2Å; I809-M813 VanDerWaalsContact O-CG 3.31Å; I809-M813 WeakPolarHBondContact O-CG 3.48Å; I809-M813 PolarHBondContact O-N 3.39Å
810	K	44.7	Very low	40.9	Very low	106 Å²	106	94.4 Å²	94.4	46%	0.461	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-33.8	-178.5	-173.4	175	-173.1	168.1	0	113.7	Y806 H808 R814	Y806-K810 HydrophobicContact CE1-CD 3.84Å; Y806-K810 WeakPolarHBondContact O-CB 3.45Å; Y806-K810 PolarHBondContact O-N 3.47Å; Y806-K810 VanDerWaalsContact O-N 3.12Å; Y806-K810 PolarHBondContact OH-NZ 3.01Å; Y806-K810 VanDerWaalsContact OH-NZ 3.1Å; H808-K810 VanDerWaalsContact C-N 3.27Å; H808-K810 PolarHBondContact O-N 3.42Å; K810-R814 WeakPolarHBondContact O-CB 3.33Å; K810-R814 PolarHBondContact O-N 3.47Å
811	E	46.3	Very low	40.9	Very low	75 Å²	75	94.8 Å²	94.8	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-79.3	-35.2	176	-179.1	56.6	-158.4	0	0	111.6	F807 H808 I809 R814 Q815	F807-E811 WeakPolarHBondContact O-CB 3.38Å; F807-E811 PolarHBondContact O-N 3.48Å; H808-E811 PolarHBondContact O-N 3.39Å; H808-E811 VanDerWaalsContact O-N 3.14Å; I809-E811 VanDerWaalsContact C-N 3.33Å; I809-E811 PolarHBondContact O-N 3.45Å; E811-R814 VanDerWaalsContact O-CB 3.31Å; E811-R814 WeakPolarHBondContact O-CB 3.29Å; E811-R814 PolarHBondContact O-N 3.18Å; E811-R814 VanDerWaalsContact O-N 3.13Å; E811-R814 IonicContact OE1-CZ 3.12Å; E811-R814 IonicContact OE1-NE 2.92Å; E811-R814 PolarHBondContact OE1-NE 2.82Å; E811-R814 IonicContact OE1-NH2 2.71Å; E811-R814 PolarHBondContact OE1-NH2 2.98Å; E811-R814 IonicContact OE2-CZ 2.85Å; E811-R814 IonicContact OE2-NE 3.63Å; E811-R814 PolarHBondContact OE2-NE 3.4Å; E811-R814 IonicContact OE2-NH2 3.99Å; E811-Q815 WeakPolarHBondContact O-CG 3.3Å; E811-Q815 PolarHBondContact O-N 2.94Å; E811-Q815 PolarHBondContact OE1-NE2 3.37Å
812	Q	44.4	Very low	41	Very low	74 Å²	74	98.9 Å²	98.9	35%	0.346	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-48.3	173.5	-161.4	-179.7	6.4	0	0	111.2	H808 I809 R814 Q815 E816	H808-Q812 PolarHBondContact O-N 3.04Å; I809-Q812 PolarHBondContact O-N 3.39Å; Q812-R814 PolarHBondContact O-N 2.92Å; Q812-R814 VanDerWaalsContact O-N 3.12Å; Q812-Q815 WeakPolarHBondContact O-CB 3.29Å; Q812-Q815 PolarHBondContact O-N 3.11Å; Q812-E816 PolarHBondContact O-N 3.33Å
813	M	42.8	Very low	41.1	Very low	85 Å²	85	103.5 Å²	103.5	42%	0.419	51%	0.514	S	S	.	.	H	α-helix	trans	-57.5	-27.5	171.5	-68.3	-176.3	96	0	0	113.1	Y783 I809 R817	Y783-M813 WeakPolarHBondContact OH-CE 3.4Å; I809-M813 HydrophobicContact CG2-CG 4.4Å; I809-M813 HydrophobicContact CG2-SD 4.2Å; I809-M813 VanDerWaalsContact O-CG 3.31Å; I809-M813 WeakPolarHBondContact O-CG 3.48Å; I809-M813 PolarHBondContact O-N 3.39Å; M813-R817 VanDerWaalsContact O-CB 3.3Å; M813-R817 WeakPolarHBondContact O-CB 3.49Å; M813-R817 WeakPolarHBondContact O-CG 3.45Å; M813-R817 PolarHBondContact O-N 3.19Å; M813-R817 VanDerWaalsContact O-N 3.15Å
814	R	45.4	Very low	41.1	Very low	130 Å²	130	103.6 Å²	103.6	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-76.9	-30.8	176.1	-161.2	-166.1	66.5	67	1.3	112	K810 E811 Q812	K810-R814 WeakPolarHBondContact O-CB 3.33Å; K810-R814 PolarHBondContact O-N 3.47Å; E811-R814 VanDerWaalsContact O-CB 3.31Å; E811-R814 WeakPolarHBondContact O-CB 3.29Å; E811-R814 PolarHBondContact O-N 3.18Å; E811-R814 VanDerWaalsContact O-N 3.13Å; E811-R814 IonicContact OE1-CZ 3.12Å; E811-R814 IonicContact OE1-NE 2.92Å; E811-R814 PolarHBondContact OE1-NE 2.82Å; E811-R814 IonicContact OE1-NH2 2.71Å; E811-R814 PolarHBondContact OE1-NH2 2.98Å; E811-R814 IonicContact OE2-CZ 2.85Å; E811-R814 IonicContact OE2-NE 3.63Å; E811-R814 PolarHBondContact OE2-NE 3.4Å; E811-R814 IonicContact OE2-NH2 3.99Å; Q812-R814 PolarHBondContact O-N 2.92Å; Q812-R814 VanDerWaalsContact O-N 3.12Å
815	Q	43.9	Very low	40.9	Very low	105 Å²	105	105.9 Å²	105.9	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-75.6	-45.9	176.7	-69.6	172.8	22.5	0	0	110.5	E811 Q812 R817 S818 S819	E811-Q815 WeakPolarHBondContact O-CG 3.3Å; E811-Q815 PolarHBondContact O-N 2.94Å; E811-Q815 PolarHBondContact OE1-NE2 3.37Å; Q812-Q815 WeakPolarHBondContact O-CB 3.29Å; Q812-Q815 PolarHBondContact O-N 3.11Å; Q815-R817 VanDerWaalsContact C-N 3.33Å; Q815-R817 PolarHBondContact O-N 2.79Å; Q815-S818 WeakPolarHBondContact O-CA 3.37Å; Q815-S818 PolarHBondContact O-N 3.34Å; Q815-S818 PolarHBondContact O-OG 3.19Å; Q815-S819 PolarHBondContact O-N 3.3Å
816	E	44.8	Very low	40.5	Very low	109 Å²	109	110.1 Å²	110.1	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-38.9	174.1	-68	171.6	176.2	0	0	112.1	Q812 S818 S819	Q812-E816 PolarHBondContact O-N 3.33Å; E816-S818 PolarHBondContact O-N 3.4Å; E816-S818 VanDerWaalsContact O-N 3.13Å; E816-S819 PolarHBondContact O-N 2.65Å; E816-S819 PolarHBondContact O-OG 3.44Å
817	R	41.4	Very low	39.8	Very low	192 Å²	192	113.9 Å²	113.9	73%	0.725	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-16.4	170.4	-92.3	-174.3	171.8	-152.3	-4.3	115.1	M813 Q815	M813-R817 VanDerWaalsContact O-CB 3.3Å; M813-R817 WeakPolarHBondContact O-CB 3.49Å; M813-R817 WeakPolarHBondContact O-CG 3.45Å; M813-R817 PolarHBondContact O-N 3.19Å; M813-R817 VanDerWaalsContact O-N 3.15Å; Q815-R817 VanDerWaalsContact C-N 3.33Å; Q815-R817 PolarHBondContact O-N 2.79Å
818	S	39.1	Very low	39.6	Very low	90 Å²	90	113.8 Å²	113.8	63%	0.629	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-0.9	-180	61	0	0	0	0	114.1	Q815 E816	Q815-S818 WeakPolarHBondContact O-CA 3.37Å; Q815-S818 PolarHBondContact O-N 3.34Å; Q815-S818 PolarHBondContact O-OG 3.19Å; E816-S818 PolarHBondContact O-N 3.4Å; E816-S818 VanDerWaalsContact O-N 3.13Å
819	S	39.2	Very low	39.5	Very low	96 Å²	96	114.2 Å²	114.2	67%	0.671	58%	0.577	S	S	*	*	S	Bend	trans	-105.9	-0	176.8	46.3	0	0	0	0	114.5	Q815 E816	Q815-S819 PolarHBondContact O-N 3.3Å; E816-S819 PolarHBondContact O-N 2.65Å; E816-S819 PolarHBondContact O-OG 3.44Å
820	V	35.8	Very low	39.3	Very low	86 Å²	86	118.7 Å²	118.7	52%	0.521	60%	0.599	S	S	.	*	S	Bend	trans	-99.8	129.8	177.9	-177.3	0	0	0	0	109.8	D824	V820-D824 HydrophobicContact CG1-CB 4.07Å
821	T	35	Very low	39	Very low	102 Å²	102	119.4 Å²	119.4	63%	0.626	61%	0.608	S	S	*	*			trans	-76.2	149.6	174.9	39.3	0	0	0	0	111.8	D823 D824	T821-D823 PolarHBondContact O-N 3Å; T821-D824 PolarHBondContact O-N 3.3Å
822	D	37.7	Very low	38.5	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-57.1	-23.4	-169	-78.7	-48.4	0	0	0	115.4	Y825	D822-Y825 WeakPolarHBondContact O-CB 3.39Å; D822-Y825 PolarHBondContact O-N 3.18Å
823	D	36.1	Very low	38.1	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-71.6	-28	-175.9	-68.1	-40.6	0	0	0	114.5	T821 Y825	T821-D823 PolarHBondContact O-N 3Å; D823-Y825 VanDerWaalsContact C-N 3.27Å; D823-Y825 PolarHBondContact O-N 3.42Å
824	D	38.2	Very low	37.8	Very low	101 Å²	101	128.3 Å²	128.3	54%	0.54	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-80.6	-5.4	178.4	-86.1	-27.8	0	0	0	113.1	V820 T821 S826	V820-D824 HydrophobicContact CG1-CB 4.07Å; T821-D824 PolarHBondContact O-N 3.3Å; D824-S826 PolarHBondContact O-N 3.28Å
825	Y	31.1	Very low	37.2	Very low	170 Å²	170	128.2 Å²	128.2	67%	0.667	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-71.4	-1.8	-172.9	-147.1	-91.6	0	0	0	114.6	D822 D823	D822-Y825 WeakPolarHBondContact O-CB 3.39Å; D822-Y825 PolarHBondContact O-N 3.18Å; D823-Y825 VanDerWaalsContact C-N 3.27Å; D823-Y825 PolarHBondContact O-N 3.42Å
826	S	32.1	Very low	36.6	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-107.2	0.2	-176	-169.3	0	0	0	0	115.1	D824	D824-S826 PolarHBondContact O-N 3.28Å
827	Q	29	Very low	35.9	Very low	197 Å²	197	132 Å²	132	92%	0.921	70%	0.702	S	S	*	*			trans	-95	0	172.3	-64.6	-168.2	13.1	0	0	111.2

Retrieved 827 of 827 residues in 275.6 ms (Link to these results)

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