A0A077YWI3_TRITR Loading...

Carboxylesterase

AlphaFold DB , UniProt , Accession A0A077YWI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 716 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.6	Very low	31.7	Very low	245 Å²	245	145.8 Å²	145.8	100%	1.207	83%	0.833	S	S	*	*				0	76.5	0	-77.5	178	171.9	0	0	108.7
2	L	26.4	Very low	31.6	Very low	168 Å²	168	152.6 Å²	152.6	88%	0.88	84%	0.835	S	S	*	*			trans	-105.1	23.7	-165.1	-113.4	157.6	0	0	0	113.7
3	Y	28.2	Very low	31.7	Very low	220 Å²	220	149.9 Å²	149.9	86%	0.863	82%	0.818	S	S	*	*			trans	-138	107	177	-80.8	-87.1	0	0	0	108.6
4	L	30.6	Very low	31.7	Very low	179 Å²	179	149.4 Å²	149.4	94%	0.937	81%	0.807	S	S	*	*			trans	-176.9	16.4	153.6	-100.8	159.3	0	0	0	115.4
5	S	32.2	Very low	32	Very low	127 Å²	127	146.7 Å²	146.7	89%	0.888	80%	0.797	S	S	*	*			trans	-103.9	22.8	-179.6	66.7	0	0	0	0	115.8
6	A	32.1	Very low	32.2	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	78%	0.777	S	S	*	*			trans	-106.7	21.6	-178	0	0	0	0	0	114.9
7	G	30.9	Very low	32.3	Very low	64 Å²	64	138 Å²	138	66%	0.66	76%	0.76	S	S	*	*	S	Bend	trans	-101.9	-5.3	-171.1	0	0	0	0	0	118.1
8	V	34.1	Very low	32.2	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	75%	0.754	S	S	*	*	S	Bend	trans	-109.7	-2.4	-167.5	-173.4	0	0	0	0	114.1
9	S	34.3	Very low	32.1	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	75%	0.745	S	S	*	*	S	Bend	trans	-90.5	-0.8	-177.5	-53.8	0	0	0	0	115.4
10	L	33.6	Very low	32.1	Very low	138 Å²	138	132.9 Å²	132.9	72%	0.723	74%	0.739	S	S	*	*	S	Bend	trans	-94.6	-11.8	-176.8	-92	151.6	0	0	0	115.1
11	L	34.1	Very low	31.8	Very low	136 Å²	136	132.6 Å²	132.6	71%	0.712	74%	0.735	S	S	*	*	S	Bend	trans	-84.9	-12.1	-179.7	-98.9	134.6	0	0	0	114.7
12	W	30.5	Very low	31.6	Very low	227 Å²	227	127.9 Å²	127.9	86%	0.86	71%	0.714	S	S	*	*	S	Bend	trans	-87.7	-13.5	176	-88.3	79.2	0	0	0	114.1
13	L	32	Very low	31.6	Very low	118 Å²	118	128 Å²	128	62%	0.618	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-10.6	-178.5	-98.8	138.1	0	0	0	114.5	S16 T17	L13-S16 PolarHBondContact O-OG 2.75Å; L13-T17 PolarHBondContact O-OG1 3.26Å
14	Q	32.2	Very low	31.5	Very low	143 Å²	143	123.1 Å²	123.1	67%	0.668	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-15.1	175.4	-81.2	-174	-35.2	0	0	114	T17	Q14-T17 PolarHBondContact O-OG1 3.4Å
15	V	36.2	Very low	31.3	Very low	108 Å²	108	118.6 Å²	118.6	66%	0.655	69%	0.692	S	S	*	*	H	α-helix	trans	-85.7	-27.7	178.6	-176.1	0	0	0	0	111.7
16	S	35.1	Very low	31.2	Very low	67 Å²	67	118.9 Å²	118.9	47%	0.469	69%	0.689	S	S	.	*	H	α-helix	trans	-78.7	-20	178.3	48	0	0	0	0	114.2	L13	L13-S16 PolarHBondContact O-OG 2.75Å
17	T	33.4	Very low	30.9	Very low	79 Å²	79	117.8 Å²	117.8	49%	0.485	69%	0.687	S	S	.	*	H	α-helix	trans	-84.2	-21.2	178.8	37.6	0	0	0	0	113.3	L13 Q14	L13-T17 PolarHBondContact O-OG1 3.26Å; Q14-T17 PolarHBondContact O-OG1 3.4Å
18	L	31.1	Very low	30.5	Very low	126 Å²	126	118.5 Å²	118.5	66%	0.66	69%	0.694	S	S	*	*	H	α-helix	trans	-74.3	-26.8	175.1	-125.2	83.7	0	0	0	112.9
19	S	31.2	Very low	30.2	Very low	84 Å²	84	121.7 Å²	121.7	59%	0.587	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-23.4	177.3	-53.2	0	0	0	0	113.4
20	V	30.7	Very low	29.9	Very low	101 Å²	101	126.3 Å²	126.3	61%	0.612	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-21.1	-179.3	179.2	0	0	0	0	112.1
21	L	26.6	Very low	29.7	Very low	128 Å²	128	123 Å²	123	67%	0.67	70%	0.702	S	S	*	*	S	Bend	trans	-83.1	-12.6	-179.8	-84.6	158.8	0	0	0	114.3
22	L	28.3	Very low	29.5	Very low	146 Å²	146	125.4 Å²	125.4	76%	0.764	71%	0.71	S	S	*	*	S	Bend	trans	-89	-13	175.9	-97.1	115.5	0	0	0	114.5
23	E	26.9	Very low	29.2	Very low	169 Å²	169	122.2 Å²	122.2	79%	0.79	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	1.2	179.2	-79.2	-175.7	165.5	0	0	114.5
24	T	25.8	Very low	29.5	Very low	118 Å²	118	120.7 Å²	120.7	72%	0.724	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	12.7	-177.4	53	0	0	0	0	115.2
25	A	25.6	Very low	29.7	Very low	85 Å²	85	122.4 Å²	122.4	70%	0.702	70%	0.703	S	S	*	*			trans	-125.6	55.4	-179.9	0	0	0	0	0	113.3
26	T	30.2	Very low	30.2	Very low	133 Å²	133	124.4 Å²	124.4	82%	0.816	71%	0.71	S	S	*	*	S	Bend	trans	-132.5	112.6	159.2	51.9	0	0	0	0	110.6
27	G	26	Very low	31.1	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	71%	0.712	S	S	*	*			trans	-21.6	130	178.2	0	0	0	0	0	118.4
28	G	23.5	Very low	31.1	Very low	78 Å²	78	130.1 Å²	130.1	80%	0.804	73%	0.727	S	S	*	*			trans	-63.6	129.6	159.7	0	0	0	0	0	110.6	E30	G28-E30 PolarHBondContact O-N 3.03Å
29	H	27.7	Very low	31.3	Very low	196 Å²	196	131.8 Å²	131.8	91%	0.907	73%	0.729	S	S	*	*			trans	-74.3	117.3	165.8	-82.1	-52.8	0	0	0	109.5	A31	H29-A31 PolarHBondContact O-N 3.44Å
30	E	26.4	Very low	31.2	Very low	199 Å²	199	131.1 Å²	131.1	93%	0.93	73%	0.728	S	S	*	*			trans	-61.9	115.1	167.9	-73.4	178.7	150.6	0	0	109.6	G28	G28-E30 PolarHBondContact O-N 3.03Å
31	A	29.9	Very low	31.3	Very low	68 Å²	68	131.5 Å²	131.5	56%	0.562	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-81.4	128.6	172.1	0	0	0	0	0	109.7	H29 F33 A40	H29-A31 PolarHBondContact O-N 3.44Å; A31-F33 PolarHBondContact O-N 2.75Å; A31-A40 HydrophobicContact CB-CB 4.27Å
32	H	30.1	Very low	31.4	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.866	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70.5	127.4	172.7	-129.7	-69.9	0	0	0	109.9
33	F	25.5	Very low	31.3	Very low	160 Å²	160	132 Å²	132	70%	0.702	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-84.6	120.9	-179.2	-127.2	-98.7	0	0	0	109.9	A31	A31-F33 PolarHBondContact O-N 2.75Å
34	D	37	Very low	31.5	Very low	87 Å²	87	129.8 Å²	129.8	47%	0.465	74%	0.737	S	S	.	*			trans	-96.6	114.5	170.5	-174.3	-5.2	0	0	0	109.7	N36 T37 K38	D34-N36 PolarHBondContact O-N 3.34Å; D34-N36 PolarHBondContact OD1-N 3.2Å; D34-T37 PolarHBondContact O-N 3.06Å; D34-K38 PolarHBondContact O-N 3Å
35	E	37	Very low	31.6	Very low	178 Å²	178	129 Å²	129	83%	0.832	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	-173.3	-82.9	-172.1	150.4	0	0	114
36	N	45.6	Very low	31.7	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-20.5	-176.7	-79	-32.1	0	0	0	114.7	D34	D34-N36 PolarHBondContact O-N 3.34Å; D34-N36 PolarHBondContact OD1-N 3.2Å
37	T	53.9	Low	31.7	Very low	85 Å²	85	136.3 Å²	136.3	52%	0.521	74%	0.744	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.4	-3.5	-174.1	58.7	0	0	0	0	115.4	D34 K39	D34-T37 PolarHBondContact O-N 3.06Å; T37-K39 PolarHBondContact O-N 3.4Å; T37-K39 VanDerWaalsContact O-N 3.08Å
38	K	35.4	Very low	31.9	Very low	180 Å²	180	139.7 Å²	139.7	78%	0.783	75%	0.745	S	S	*	*			trans	46.7	37.9	176.3	-68.4	-170.7	176.2	-177.5	0	113.7	D34	D34-K38 PolarHBondContact O-N 3Å
39	K	35.1	Very low	32.2	Very low	162 Å²	162	147.3 Å²	147.3	70%	0.704	75%	0.749	S	S	*	*	S	Bend	trans	-141.3	141.8	173	-73.9	-172.7	178.3	180	0	110.8	T37	T37-K39 PolarHBondContact O-N 3.4Å; T37-K39 VanDerWaalsContact O-N 3.08Å
40	A	28.6	Very low	32.7	Very low	69 Å²	69	147.2 Å²	147.2	57%	0.57	75%	0.746	S	S	*	*			trans	-72.5	121.9	172.2	0	0	0	0	0	109.6	A31	A31-A40 HydrophobicContact CB-CB 4.27Å
41	V	31.9	Very low	32.8	Very low	110 Å²	110	143.8 Å²	143.8	67%	0.667	74%	0.74	S	S	*	*			trans	-108.5	118.9	177.4	-177.3	0	0	0	0	108.5
42	P	28.5	Very low	32.9	Very low	103 Å²	103	148.5 Å²	148.5	67%	0.669	75%	0.754	S	S	*	*			trans	-69	141.8	172.7	5.9	2.2	0	0	0	111.2	V44	P42-V44 PolarHBondContact O-N 3.29Å
43	L	27.5	Very low	33	Very low	181 Å²	181	148.2 Å²	148.2	95%	0.948	75%	0.753	S	S	*	*			trans	-65.1	103	169.4	-75.1	162.2	0	0	0	108.9
44	V	29.7	Very low	33.4	Very low	123 Å²	123	146.3 Å²	146.3	75%	0.745	76%	0.757	S	S	*	*			trans	-91.5	116.1	166.7	-179.8	0	0	0	0	107.3	P42 Q46	P42-V44 PolarHBondContact O-N 3.29Å; V44-Q46 PolarHBondContact O-N 3.02Å
45	P	28.6	Very low	33.3	Very low	102 Å²	102	148.4 Å²	148.4	66%	0.662	77%	0.773	S	S	*	*			trans	-62.1	125.1	173.4	-17.5	30.1	0	0	0	109.6	H47	P45-H47 VanDerWaalsContact C-N 3.34Å; P45-H47 PolarHBondContact O-N 2.81Å
46	Q	27.1	Very low	33.5	Very low	196 Å²	196	145.3 Å²	145.3	92%	0.916	77%	0.768	S	S	*	*			trans	-71.4	89.2	172.3	-73.3	-157.5	-20.9	0	0	110.1	V44	V44-Q46 PolarHBondContact O-N 3.02Å
47	H	30.1	Very low	33.2	Very low	174 Å²	174	147.6 Å²	147.6	81%	0.806	77%	0.774	S	S	*	*			trans	-110.5	75	160	-78.4	-52	0	0	0	109.5	P45	P45-H47 VanDerWaalsContact C-N 3.34Å; P45-H47 PolarHBondContact O-N 2.81Å
48	D	30.1	Very low	33	Very low	145 Å²	145	148.8 Å²	148.8	78%	0.775	78%	0.781	S	S	*	*			trans	-138.8	105.5	163.7	-104.3	-25.7	0	0	0	108.7
49	R	30.3	Very low	34.1	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.898	77%	0.769	S	S	*	*			trans	-174.8	64.3	151.9	-100.4	172.5	-148.6	-147.5	7.9	109	T51	R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.45Å; R49-T51 VanDerWaalsContact O-N 3.12Å
50	F	38.1	Very low	35.5	Very low	193 Å²	193	144.3 Å²	144.3	85%	0.846	77%	0.773	S	S	*	*			trans	-71.9	97.3	156.6	-71.2	-82	0	0	0	107.2	L52	F50-L52 PolarHBondContact O-N 3.4Å; F50-L52 VanDerWaalsContact O-N 3.08Å
51	T	28.8	Very low	37.3	Very low	128 Å²	128	150.4 Å²	150.4	79%	0.785	79%	0.787	S	S	*	*			trans	-67.1	104	166.1	44.1	0	0	0	0	107.8	R49 E53	R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.45Å; R49-T51 VanDerWaalsContact O-N 3.12Å; T51-E53 PolarHBondContact O-N 3.24Å
52	L	32.2	Very low	38.8	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.5	163.7	-76.2	156.9	0	0	0	107.9	F50	F50-L52 PolarHBondContact O-N 3.4Å; F50-L52 VanDerWaalsContact O-N 3.08Å
53	E	32.1	Very low	40.1	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-57	137.3	168.4	-84.6	-178.8	157.2	0	0	109	T51 T55	T51-E53 PolarHBondContact O-N 3.24Å; E53-T55 PolarHBondContact O-N 3.07Å
54	P	33.7	Very low	41.7	Very low	121 Å²	121	147.8 Å²	147.8	79%	0.786	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-62.1	126.9	175.7	22.8	-29.5	0	0	0	109.8
55	T	36.2	Very low	42.4	Very low	130 Å²	130	149.3 Å²	149.3	80%	0.798	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-52	134.9	169.7	35.4	0	0	0	0	110	E53	E53-T55 PolarHBondContact O-N 3.07Å
56	P	39.7	Very low	42.9	Very low	113 Å²	113	152.6 Å²	152.6	73%	0.734	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-57.2	140.6	-179.4	-19.9	29.5	0	0	0	111.5	V58	P56-V58 PolarHBondContact O-N 3Å
57	E	39.9	Very low	43.4	Very low	199 Å²	199	151.9 Å²	151.9	93%	0.93	76%	0.758	S	S	*	*			trans	-55.7	111.4	169.4	-84.2	-178.9	155.2	0	0	109.7
58	V	49	Very low	43.7	Very low	110 Å²	110	149.6 Å²	149.6	67%	0.667	76%	0.756	S	S	*	*			trans	-81.1	117.6	167.4	179.4	0	0	0	0	106.7	P56 L60	P56-V58 PolarHBondContact O-N 3Å; V58-L60 PolarHBondContact O-N 3.46Å
59	D	60	Low	44.2	Very low	98 Å²	98	148 Å²	148	52%	0.524	75%	0.752	S	S	.	*			trans	-65.2	107.1	170.3	-174.6	-9.6	0	0	0	108.7	F61 D62	D59-F61 PolarHBondContact O-N 3.49Å; D59-F61 VanDerWaalsContact O-N 3.16Å; D59-F61 PolarHBondContact OD1-N 3.29Å; D59-D62 PolarHBondContact O-N 3.35Å
60	L	64.1	Low	44.4	Very low	151 Å²	151	145.2 Å²	145.2	79%	0.791	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-17	-177.4	-79.6	163.1	0	0	0	113.2	V58	V58-L60 PolarHBondContact O-N 3.46Å
61	F	65.1	Low	44.7	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.864	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-9.1	-176	-63.5	-76.8	0	0	0	114.1	D59	D59-F61 PolarHBondContact O-N 3.49Å; D59-F61 VanDerWaalsContact O-N 3.16Å; D59-F61 PolarHBondContact OD1-N 3.29Å
62	D	63.1	Low	45.7	Very low	68 Å²	68	138.7 Å²	138.7	36%	0.364	73%	0.73	S	S	.	*			trans	-153.5	78	170.8	-167.4	-2.7	0	0	0	112.4	D59 F64 K65	D59-D62 PolarHBondContact O-N 3.35Å; D62-F64 PolarHBondContact O-N 2.95Å; D62-F64 VanDerWaalsContact O-N 3.14Å; D62-F64 PolarHBondContact OD1-N 3.05Å; D62-K65 HydrophobicContact CB-CB 4.39Å; D62-K65 PolarHBondContact O-N 3.02Å; D62-K65 PolarHBondContact OD1-N 3.28Å; D62-K65 WeakPolarHBondContact OD2-CB 3.46Å
63	P	57.1	Low	46.7	Very low	86 Å²	86	139.4 Å²	139.4	56%	0.558	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-6.4	-177	26.4	-33	0	0	0	114.4
64	F	61.1	Low	47.9	Very low	184 Å²	184	134.7 Å²	134.7	81%	0.807	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	6.2	-176.7	-60	-72.6	0	0	0	113.7	D62 E66	D62-F64 PolarHBondContact O-N 2.95Å; D62-F64 VanDerWaalsContact O-N 3.14Å; D62-F64 PolarHBondContact OD1-N 3.05Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 3.07Å
65	K	44	Very low	49.8	Very low	156 Å²	156	132.4 Å²	132.4	68%	0.678	70%	0.698	S	S	*	*			trans	-66.6	97.2	174.2	-151	172.7	-173	172.3	0	109.1	D62 K67	D62-K65 HydrophobicContact CB-CB 4.39Å; D62-K65 PolarHBondContact O-N 3.02Å; D62-K65 PolarHBondContact OD1-N 3.28Å; D62-K65 WeakPolarHBondContact OD2-CB 3.46Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.5Å
66	E	38.6	Very low	51.7	Low	171 Å²	171	132.2 Å²	132.2	80%	0.799	70%	0.699	S	S	*	*			trans	-52.8	104.4	161.2	-81.9	-178.7	167.6	0	0	106.6	F64 T68	F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 3.07Å; E66-T68 PolarHBondContact O-N 3.41Å
67	K	38.3	Very low	53.9	Low	180 Å²	180	131.1 Å²	131.1	78%	0.783	69%	0.687	S	S	*	*			trans	-60.1	93.5	159.4	-83	179	178.6	172.4	0	104.8	K65 T69	K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.5Å; K67-T69 HydrophobicContact CB-CG2 4.49Å; K67-T69 PolarHBondContact O-N 2.97Å
68	T	36.5	Very low	56.4	Low	127 Å²	127	124.2 Å²	124.2	78%	0.779	66%	0.655	S	S	*	*			trans	-64	72.5	152.1	30.8	0	0	0	0	105.7	E66 Q70	E66-T68 PolarHBondContact O-N 3.41Å; T68-Q70 PolarHBondContact O-N 3.03Å
69	T	40.8	Very low	58.5	Low	111 Å²	111	120.1 Å²	120.1	68%	0.681	63%	0.63	S	S	*	*			trans	-60.5	94.1	157	32.3	0	0	0	0	104.4	K67 S71	K67-T69 HydrophobicContact CB-CG2 4.49Å; K67-T69 PolarHBondContact O-N 2.97Å; T69-S71 PolarHBondContact O-N 3.03Å
70	Q	33.2	Very low	60.1	Low	179 Å²	179	118.9 Å²	118.9	84%	0.836	63%	0.626	S	S	*	*			trans	-42	115	148.5	-71	-179.9	-3.3	0	0	104.6	T68 P72	T68-Q70 PolarHBondContact O-N 3.03Å; Q70-P72 WeakPolarHBondContact O-CD 3.42Å
71	S	45.2	Very low	61.5	Low	90 Å²	90	112 Å²	112	63%	0.629	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-50.1	122.7	176.6	-84.7	0	0	0	0	106.1	T69 E73	T69-S71 PolarHBondContact O-N 3.03Å; S71-E73 PolarHBondContact O-N 3.29Å
72	P	50	Low	62.9	Low	95 Å²	95	105.8 Å²	105.8	62%	0.617	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-51.7	135.6	-179.9	19	-29.6	0	0	0	107.9	Q70	Q70-P72 WeakPolarHBondContact O-CD 3.42Å
73	E	52.8	Low	64.4	Low	182 Å²	182	103.1 Å²	103.1	85%	0.85	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-49.1	133.6	174.3	-77.7	-171.7	163.4	0	0	108.5	S71 T75	S71-E73 PolarHBondContact O-N 3.29Å; E73-T75 PolarHBondContact O-N 3.4Å
74	P	57.4	Low	66.1	Low	81 Å²	81	106.2 Å²	106.2	53%	0.526	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-57.3	135	-174.4	18.9	-28.8	0	0	0	109.9	Q78	P74-Q78 HydrophobicContact CB-CB 3.8Å
75	T	74.8	Confident	67.8	Low	73 Å²	73	97.9 Å²	97.9	45%	0.448	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-59.3	157	173.5	61.1	0	0	0	0	109.4	E73 D77 Q78	E73-T75 PolarHBondContact O-N 3.4Å; T75-D77 PolarHBondContact O-N 3.46Å; T75-Q78 WeakPolarHBondContact O-CB 3.46Å; T75-Q78 PolarHBondContact O-N 3.39Å; T75-Q78 VanDerWaalsContact OG1-CG 3.31Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.49Å
76	P	75.1	Confident	70.2	Confident	125 Å²	125	91.2 Å²	91.2	81%	0.812	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.9	-176.5	-26.3	34.3	0	0	0	114.6
77	D	86.2	Confident	73	Confident	91 Å²	91	88 Å²	88	49%	0.487	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.5	179.2	-56.1	-44.2	0	0	0	113.4	T75 T91 K92	T75-D77 PolarHBondContact O-N 3.46Å; D77-T91 CarbonylContact O-C 3.55Å; D77-T91 WeakPolarHBondContact O-CA 3.44Å; D77-K92 WeakPolarHBondContact O-CB 3.34Å; D77-K92 PolarHBondContact O-N 2.92Å
78	Q	91.5	Very high	75.8	Confident	54 Å²	54	79.5 Å²	79.5	25%	0.252	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.2	176.8	-80.7	174.6	7.3	0	0	111.2	P74 T75 I89	P74-Q78 HydrophobicContact CB-CB 3.8Å; T75-Q78 WeakPolarHBondContact O-CB 3.46Å; T75-Q78 PolarHBondContact O-N 3.39Å; T75-Q78 VanDerWaalsContact OG1-CG 3.31Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.49Å; Q78-I89 HydrophobicContact CB-CG2 4.04Å; Q78-I89 HydrophobicContact CG-CG2 3.88Å
79	V	92.8	Very high	78.6	Confident	23 Å²	23	74.2 Å²	74.2	14%	0.139	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.3	176.3	66.5	0	0	0	0	110.5	I89 G90 F131 F133 V205	V79-I89 CarbonylContact O-C 3.6Å; V79-I89 WeakPolarHBondContact O-CA 3.47Å; V79-G90 PolarHBondContact N-O 3.44Å; V79-G90 VanDerWaalsContact N-O 3.13Å; V79-G90 PolarHBondContact O-N 3.29Å; V79-F131 HydrophobicContact CB-CD1 4.04Å; V79-F131 HydrophobicContact CB-CE1 4.48Å; V79-F131 HydrophobicContact CG1-CB 4.33Å; V79-F131 HydrophobicContact CG1-CD1 3.83Å; V79-F131 HydrophobicContact CG2-CD1 4.01Å; V79-F131 HydrophobicContact CG2-CE1 4.24Å; V79-F133 HydrophobicContact CG1-CE1 4.03Å; V79-F133 HydrophobicContact CG1-CE2 4.45Å; V79-F133 HydrophobicContact CG1-CZ 3.66Å; V79-V205 HydrophobicContact CG2-CB 4.42Å; V79-V205 HydrophobicContact CG2-CG2 3.37Å
80	V	93.6	Very high	81.3	Confident	72 Å²	72	69 Å²	69	44%	0.436	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.4	-174.6	-171.8	0	0	0	0	109.9	K87 I88 I89	V80-K87 HydrophobicContact CG1-CB 4.3Å; V80-I88 WeakPolarHBondContact CA-O 3.38Å; V80-I89 HydrophobicContact CG2-CG1 4.27Å
81	V	94.3	Very high	84.3	Confident	8 Å²	8	62 Å²	62	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.1	171.2	173.5	0	0	0	0	108.4	I83 I88 F133 V205 A285 F286	V81-I83 HydrophobicContact CG1-CG2 4.24Å; V81-I88 PolarHBondContact N-O 2.92Å; V81-I88 PolarHBondContact O-N 2.94Å; V81-F133 HydrophobicContact CB-CE1 4.15Å; V81-F133 HydrophobicContact CB-CZ 4.26Å; V81-F133 HydrophobicContact CG2-CE1 3.79Å; V81-F133 HydrophobicContact CG2-CE2 4.34Å; V81-F133 HydrophobicContact CG2-CZ 3.43Å; V81-F133 VanDerWaalsContact CG2-CZ 3.43Å; V81-V205 HydrophobicContact CG2-CB 4.12Å; V81-V205 HydrophobicContact CG2-CG1 4.11Å; V81-A285 HydrophobicContact CG1-CB 3.64Å; V81-F286 HydrophobicContact CB-CE1 4.29Å; V81-F286 HydrophobicContact CG1-CD1 4.45Å; V81-F286 HydrophobicContact CG1-CE1 4.11Å; V81-F286 HydrophobicContact CG1-CE2 4.31Å; V81-F286 HydrophobicContact CG1-CZ 4.05Å; V81-F286 HydrophobicContact CG2-CD1 4.36Å; V81-F286 HydrophobicContact CG2-CE1 4.3Å
82	T	93.9	Very high	86.7	Confident	66 Å²	66	61.8 Å²	61.8	41%	0.405	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.5	178.2	-52.7	0	0	0	0	109.9	K87 R207	T82-K87 HydrophobicContact CG2-CG 4.26Å; T82-R207 PolarHBondContact O-NH2 3Å
83	I	94.8	Very high	88.8	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.056	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	177.4	172.3	62.3	166.3	0	0	0	109.8	V81 L85 G86 I88 F157 W278 Y282 A285	V81-I83 HydrophobicContact CG1-CG2 4.24Å; I83-L85 HydrophobicContact CD1-CB 4Å; I83-L85 HydrophobicContact CD1-CD1 4.02Å; I83-L85 HydrophobicContact CD1-CG 4.08Å; I83-L85 HydrophobicContact CG1-CB 4.18Å; I83-L85 PolarHBondContact O-N 3.4Å; I83-G86 PolarHBondContact N-O 2.93Å; I83-G86 PolarHBondContact O-N 2.95Å; I83-G86 VanDerWaalsContact O-N 3.16Å; I83-I88 HydrophobicContact CD1-CD1 3.76Å; I83-I88 HydrophobicContact CG1-CD1 4.01Å; I83-I88 HydrophobicContact CG1-CG1 4.49Å; I83-F157 HydrophobicContact CD1-CZ 4.08Å; I83-W278 HydrophobicContact CD1-CZ2 4.33Å; I83-Y282 HydrophobicContact CB-CD1 4.07Å; I83-Y282 HydrophobicContact CD1-CD1 4.16Å; I83-Y282 HydrophobicContact CD1-CD2 4.32Å; I83-Y282 HydrophobicContact CD1-CG 3.97Å; I83-Y282 HydrophobicContact CG2-CD1 4.49Å; I83-A285 HydrophobicContact CG2-CB 3.54Å
84	Q	94.2	Very high	90.9	Very high	151 Å²	151	54.6 Å²	54.6	71%	0.706	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.9	-179.4	-67.3	178.1	-27.3	0	0	113.5	G86 Y282	Q84-G86 VanDerWaalsContact C-N 3.32Å; Q84-Y282 HydrophobicContact CB-CE1 4.06Å; Q84-Y282 HydrophobicContact CG-CE1 4.41Å
85	L	95.3	Very high	92.7	Very high	9 Å²	9	51 Å²	51	5%	0.047	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.7	179.6	-58	179.5	0	0	0	113.8	I83 L154 H156 F157 Y282	I83-L85 HydrophobicContact CD1-CB 4Å; I83-L85 HydrophobicContact CD1-CD1 4.02Å; I83-L85 HydrophobicContact CD1-CG 4.08Å; I83-L85 HydrophobicContact CG1-CB 4.18Å; I83-L85 PolarHBondContact O-N 3.4Å; L85-L154 HydrophobicContact CD1-CB 4.35Å; L85-L154 HydrophobicContact CD2-CB 4.22Å; L85-L154 WeakPolarHBondContact CD2-O 3.44Å; L85-H156 WeakPolarHBondContact O-CA 3.33Å; L85-F157 HydrophobicContact CB-CD1 4.17Å; L85-F157 HydrophobicContact CB-CD2 4.17Å; L85-F157 HydrophobicContact CB-CE1 3.84Å; L85-F157 HydrophobicContact CB-CE2 3.83Å; L85-F157 HydrophobicContact CB-CG 4.33Å; L85-F157 HydrophobicContact CB-CZ 3.67Å; L85-F157 HydrophobicContact CD1-CE1 3.86Å; L85-F157 HydrophobicContact CD1-CZ 4.09Å; L85-F157 WeakPolarHBondContact O-CD2 3.44Å; L85-F157 PolarHBondContact O-N 3.39Å; L85-Y282 HydrophobicContact CD1-CE2 4Å; L85-Y282 HydrophobicContact CG-CE2 4.29Å
86	G	95.8	Very high	93.6	Very high	16 Å²	16	51 Å²	51	17%	0.165	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.6	-168.9	-175.1	0	0	0	0	0	113.1	I83 Q84	I83-G86 PolarHBondContact N-O 2.93Å; I83-G86 PolarHBondContact O-N 2.95Å; I83-G86 VanDerWaalsContact O-N 3.16Å; Q84-G86 VanDerWaalsContact C-N 3.32Å
87	K	96.4	Very high	94.5	Very high	105 Å²	105	46.4 Å²	46.4	46%	0.457	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139	177.3	-62	177.8	-175.3	171.9	0	110.8	V80 T82 D160 T161 I162	V80-K87 HydrophobicContact CG1-CB 4.3Å; T82-K87 HydrophobicContact CG2-CG 4.26Å; K87-D160 PolarHBondContact N-O 3.49Å; K87-T161 HydrophobicContact CB-CG2 4.07Å; K87-T161 CarbonylContact O-C 3.5Å; K87-T161 VanDerWaalsContact O-CA 3.3Å; K87-T161 WeakPolarHBondContact O-CA 3.41Å; K87-I162 PolarHBondContact O-N 3.43Å
88	I	96.8	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.1	177.7	-50.8	177	0	0	0	107.7	V80 V81 I83 F133 I136 F157 I162 A164 F286	V80-I88 WeakPolarHBondContact CA-O 3.38Å; V81-I88 PolarHBondContact N-O 2.92Å; V81-I88 PolarHBondContact O-N 2.94Å; I83-I88 HydrophobicContact CD1-CD1 3.76Å; I83-I88 HydrophobicContact CG1-CD1 4.01Å; I83-I88 HydrophobicContact CG1-CG1 4.49Å; I88-F133 HydrophobicContact CB-CD1 4.46Å; I88-F133 HydrophobicContact CG2-CD1 3.64Å; I88-F133 HydrophobicContact CG2-CE1 4.33Å; I88-I136 HydrophobicContact CD1-CD1 4.13Å; I88-I136 HydrophobicContact CD1-CG1 4.43Å; I88-I136 HydrophobicContact CD1-CG2 4.23Å; I88-I136 HydrophobicContact CG2-CD1 4.12Å; I88-I136 HydrophobicContact CG2-CG1 4Å; I88-F157 HydrophobicContact CD1-CE2 4.2Å; I88-F157 HydrophobicContact CD1-CZ 3.97Å; I88-F157 HydrophobicContact CG1-CE2 3.71Å; I88-F157 HydrophobicContact CG1-CZ 3.96Å; I88-I162 HydrophobicContact CB-CG1 4.2Å; I88-I162 HydrophobicContact CG1-CD1 4.01Å; I88-I162 HydrophobicContact CG1-CG1 3.98Å; I88-I162 HydrophobicContact CG2-CD1 4.1Å; I88-I162 HydrophobicContact CG2-CG1 4.03Å; I88-A164 HydrophobicContact CG2-CB 3.65Å; I88-F286 HydrophobicContact CD1-CZ 3.93Å
89	I	96.2	Very high	95.1	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.087	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.8	176.7	-57.5	179	0	0	0	108.4	Q78 V79 V80 T161 I162 Y163 A164	Q78-I89 HydrophobicContact CB-CG2 4.04Å; Q78-I89 HydrophobicContact CG-CG2 3.88Å; V79-I89 CarbonylContact O-C 3.6Å; V79-I89 WeakPolarHBondContact O-CA 3.47Å; V80-I89 HydrophobicContact CG2-CG1 4.27Å; I89-T161 HydrophobicContact CD1-CG2 3.42Å; I89-T161 VanDerWaalsContact CD1-CG2 3.42Å; I89-T161 HydrophobicContact CG1-CG2 3.7Å; I89-I162 PolarHBondContact N-O 3.35Å; I89-Y163 HydrophobicContact CB-CD1 4.1Å; I89-Y163 HydrophobicContact CB-CE1 4.48Å; I89-Y163 HydrophobicContact CD1-CD1 3.98Å; I89-Y163 HydrophobicContact CD1-CE1 3.53Å; I89-Y163 HydrophobicContact CG2-CD1 4.14Å; I89-Y163 HydrophobicContact CG2-CE1 4.39Å; I89-A164 CarbonylContact O-C 3.47Å; I89-A164 WeakPolarHBondContact O-CA 3.48Å; I89-A164 PolarHBondContact O-N 2.93Å
90	G	96.7	Very high	95.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-167.4	173.8	0	0	0	0	0	112.5	V79 V132 F133	V79-G90 PolarHBondContact N-O 3.44Å; V79-G90 VanDerWaalsContact N-O 3.13Å; V79-G90 PolarHBondContact O-N 3.29Å; G90-V132 CarbonylContact C-O 3.56Å; G90-V132 VanDerWaalsContact CA-O 3.3Å; G90-V132 WeakPolarHBondContact CA-O 3.46Å; G90-F133 VanDerWaalsContact CA-CD1 3.41Å
91	T	96.1	Very high	95.1	Very high	32 Å²	32	40.6 Å²	40.6	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.1	-178.5	-54.6	0	0	0	0	110.8	D77 M93 V132	D77-T91 CarbonylContact O-C 3.55Å; D77-T91 WeakPolarHBondContact O-CA 3.44Å; T91-M93 HydrophobicContact CG2-CE 4.12Å; T91-M93 HydrophobicContact CG2-CG 4.2Å; T91-V132 PolarHBondContact N-O 3.01Å; T91-V132 PolarHBondContact O-N 3.26Å
92	K	95.5	Very high	95	Very high	87 Å²	87	41.1 Å²	41.1	38%	0.378	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129	168.2	-176.8	-172.3	177.7	-169.5	0	108.4	D77 T129 F131	D77-K92 WeakPolarHBondContact O-CB 3.34Å; D77-K92 PolarHBondContact O-N 2.92Å; K92-T129 HydrophobicContact CD-CG2 4.12Å; K92-T129 VanDerWaalsContact CE-CG2 3.44Å; K92-T129 HydrophobicContact CG-CG2 3.58Å; K92-F131 HydrophobicContact CB-CD1 4.14Å; K92-F131 HydrophobicContact CB-CE1 4.18Å; K92-F131 HydrophobicContact CD-CE1 4.38Å; K92-F131 HydrophobicContact CG-CD1 4.27Å; K92-F131 HydrophobicContact CG-CE1 3.94Å
93	M	95.1	Very high	94.7	Very high	49 Å²	49	43.3 Å²	43.3	24%	0.241	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.9	178.3	-63.3	-174.2	177.4	0	0	110.2	T91 M95 T129 I130 V132	T91-M93 HydrophobicContact CG2-CE 4.12Å; T91-M93 HydrophobicContact CG2-CG 4.2Å; M93-M95 HydrophobicContact CB-CE 3.65Å; M93-M95 HydrophobicContact SD-CE 4.31Å; M93-T129 CarbonylContact O-C 3.53Å; M93-T129 WeakPolarHBondContact O-CA 3.36Å; M93-I130 HydrophobicContact CB-CG1 4.13Å; M93-I130 PolarHBondContact N-O 2.94Å; M93-I130 PolarHBondContact O-N 3.48Å; M93-V132 HydrophobicContact CE-CB 4.49Å; M93-V132 HydrophobicContact CG-CG2 4.25Å; M93-V132 HydrophobicContact SD-CB 4.38Å; M93-V132 HydrophobicContact SD-CG2 3.87Å
94	V	95.4	Very high	94.3	Very high	77 Å²	77	48.3 Å²	48.3	47%	0.467	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.2	175.4	-178.4	0	0	0	0	108.3	P96 D127	V94-P96 WeakPolarHBondContact O-CD 3.41Å; V94-D127 HydrophobicContact CG1-CB 3.74Å
95	M	95.9	Very high	94.1	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	106.6	174.5	-61.5	-62.9	122.2	0	0	108.2	M93 L98 V128 I130 H235 I236 T239 P557 L560	M93-M95 HydrophobicContact CB-CE 3.65Å; M93-M95 HydrophobicContact SD-CE 4.31Å; M95-L98 HydrophobicContact CB-CD1 3.9Å; M95-V128 PolarHBondContact N-O 2.93Å; M95-V128 PolarHBondContact O-N 3.32Å; M95-I130 HydrophobicContact CE-CD1 3.98Å; M95-I130 HydrophobicContact CE-CG1 4.27Å; M95-I130 HydrophobicContact CG-CD1 4.01Å; M95-I130 HydrophobicContact CG-CG1 4.2Å; M95-I130 HydrophobicContact SD-CD1 4.42Å; M95-H235 HydrophobicContact CE-CB 4.49Å; M95-H235 HydrophobicContact SD-CB 4.2Å; M95-I236 HydrophobicContact CB-CD1 4.49Å; M95-I236 HydrophobicContact CG-CD1 4.31Å; M95-I236 HydrophobicContact SD-CD1 3.99Å; M95-T239 HydrophobicContact CB-CG2 4.01Å; M95-T239 HydrophobicContact CG-CG2 3.83Å; M95-P557 HydrophobicContact SD-CG 4.13Å; M95-L560 HydrophobicContact CE-CD1 3.98Å; M95-L560 HydrophobicContact SD-CD1 4.18Å
96	P	94.4	Very high	93.6	Very high	72 Å²	72	43.5 Å²	43.5	47%	0.468	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	159.9	-175.5	33.5	-35.6	0	0	0	112.4	V94 L98 D127	V94-P96 WeakPolarHBondContact O-CD 3.41Å; P96-L98 PolarHBondContact O-N 3.32Å; P96-D127 WeakPolarHBondContact CA-OD1 3.49Å; P96-D127 WeakPolarHBondContact CB-OD1 3.35Å
97	G	93.7	Very high	93	Very high	29 Å²	29	45.5 Å²	45.5	30%	0.299	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81	10	164.8	0	0	0	0	0	116.2	S125 N126 W555	G97-S125 WeakPolarHBondContact CA-OG 3.4Å; G97-N126 PolarHBondContact N-O 3.05Å; G97-N126 VanDerWaalsContact N-O 3.15Å; G97-W555 WeakPolarHBondContact O-CZ3 3.4Å
98	L	95.8	Very high	92.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	145.4	-173.6	-56.3	-176.9	0	0	0	112.2	M95 P96 W100 S125 N126 V128 T239 W555	M95-L98 HydrophobicContact CB-CD1 3.9Å; P96-L98 PolarHBondContact O-N 3.32Å; L98-W100 VanDerWaalsContact C-N 3.25Å; L98-W100 HydrophobicContact CB-CD2 4.31Å; L98-W100 HydrophobicContact CB-CE3 4.5Å; L98-W100 HydrophobicContact CB-CZ2 4.48Å; L98-W100 HydrophobicContact CD1-CZ2 4.26Å; L98-W100 HydrophobicContact CD2-CH2 4.01Å; L98-W100 HydrophobicContact CD2-CZ2 3.97Å; L98-W100 HydrophobicContact CG-CZ2 4.48Å; L98-W100 PolarHBondContact O-N 2.91Å; L98-S125 CarbonylContact O-C 3.15Å; L98-N126 PolarHBondContact N-O 3.48Å; L98-N126 WeakPolarHBondContact O-CB 3.27Å; L98-N126 PolarHBondContact O-N 3.31Å; L98-N126 PolarHBondContact O-ND2 3.48Å; L98-V128 HydrophobicContact CB-CG2 4.26Å; L98-V128 HydrophobicContact CD1-CB 3.91Å; L98-V128 HydrophobicContact CD1-CG2 3.83Å; L98-T239 HydrophobicContact CD1-CG2 3.58Å; L98-T239 WeakPolarHBondContact CD1-OG1 3.36Å; L98-W555 HydrophobicContact CD2-CB 4.34Å; L98-W555 HydrophobicContact CD2-CD2 4.24Å; L98-W555 HydrophobicContact CD2-CE3 3.73Å; L98-W555 HydrophobicContact CD2-CZ3 4.46Å
99	K	93.6	Very high	90.9	Very high	86 Å²	86	44.7 Å²	44.7	37%	0.374	24%	0.235	S	C	.	.	S	Bend	trans	-84.6	4.4	177.6	-56.4	-172.8	-170.8	157	0	114.3	P106 L122 W555 E579	K99-P106 WeakPolarHBondContact O-CD 3.38Å; K99-P106 WeakPolarHBondContact O-CG 3.37Å; K99-L122 WeakPolarHBondContact O-CD2 3.48Å; K99-W555 HydrophobicContact CD-CH2 4.46Å; K99-W555 HydrophobicContact CG-CH2 4.08Å; K99-E579 WeakPolarHBondContact CD-OE1 3.31Å; K99-E579 IonicContact NZ-OE1 3.37Å; K99-E579 PolarHBondContact NZ-OE1 3.09Å
100	W	94.8	Very high	89.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.			trans	-139.2	168.2	-176	62.4	89.4	0	0	0	109.8	L98 D105 V128 I236 T239 K240 W555 E579 M582	L98-W100 VanDerWaalsContact C-N 3.25Å; L98-W100 HydrophobicContact CB-CD2 4.31Å; L98-W100 HydrophobicContact CB-CE3 4.5Å; L98-W100 HydrophobicContact CB-CZ2 4.48Å; L98-W100 HydrophobicContact CD1-CZ2 4.26Å; L98-W100 HydrophobicContact CD2-CH2 4.01Å; L98-W100 HydrophobicContact CD2-CZ2 3.97Å; L98-W100 HydrophobicContact CG-CZ2 4.48Å; L98-W100 PolarHBondContact O-N 2.91Å; W100-D105 HydrophobicContact CB-CB 4.29Å; W100-V128 VanDerWaalsContact O-CG2 3.28Å; W100-V128 WeakPolarHBondContact O-CG2 3.4Å; W100-I236 HydrophobicContact CZ2-CG2 4.14Å; W100-T239 VanDerWaalsContact CD1-O 3.29Å; W100-T239 PolarHBondContact NE1-O 2.95Å; W100-T239 PolarHBondContact NE1-OG1 3.24Å; W100-K240 HydrophobicContact CD2-CD 4Å; W100-K240 HydrophobicContact CG-CD 3.98Å; W100-K240 HydrophobicContact CZ2-CD 4.24Å; W100-W555 AromaticContact CH2-CD1 3.94Å; W100-W555 AromaticContact CH2-CD2 3.91Å; W100-W555 HydrophobicContact CH2-CD2 3.91Å; W100-W555 AromaticContact CH2-CE2 3.98Å; W100-W555 AromaticContact CH2-CG 3.93Å; W100-W555 HydrophobicContact CH2-CG 3.93Å; W100-W555 AromaticContact CH2-NE1 3.95Å; W100-W555 HydrophobicContact CZ3-CD2 4.27Å; W100-W555 AromaticContact CZ3-CE2 3.99Å; W100-W555 HydrophobicContact CZ3-CZ2 4.28Å; W100-E579 HydrophobicContact CE3-CG 4.17Å; W100-E579 HydrophobicContact CH2-CG 3.95Å; W100-E579 HydrophobicContact CZ3-CG 3.39Å; W100-M582 HydrophobicContact CH2-CE 3.96Å; W100-M582 HydrophobicContact CZ2-CE 3.98Å
101	T	93.1	Very high	87.4	Confident	33 Å²	33	54.7 Å²	54.7	20%	0.202	29%	0.293	C	S	.	.			trans	-125	167.2	165	62.1	0	0	0	0	109.1	D103 R104 L122 N126 V128 T239	T101-D103 PolarHBondContact O-N 2.92Å; T101-R104 PolarHBondContact N-O 3.41Å; T101-R104 CarbonylContact O-C 3.56Å; T101-R104 PolarHBondContact O-N 3.47Å; T101-R104 PolarHBondContact OG1-N 2.93Å; T101-R104 PolarHBondContact OG1-O 2.96Å; T101-L122 HydrophobicContact CG2-CD1 4.02Å; T101-N126 HydrophobicContact CG2-CB 4.15Å; T101-V128 HydrophobicContact CG2-CG2 4.37Å; T101-T239 CarbonylContact C-O 3.56Å
102	P	91.3	Very high	85.5	Confident	19 Å²	19	56.9 Å²	56.9	12%	0.123	30%	0.303	C	S	.	.	S	Bend	trans	-57.4	-32.4	-179.8	-28.1	37.3	0	0	0	113.7	V128 P203 Y213 T239 G241	P102-V128 HydrophobicContact CG-CG1 3.69Å; P102-P203 HydrophobicContact CB-CB 3.62Å; P102-P203 HydrophobicContact CB-CG 4.42Å; P102-P203 HydrophobicContact CG-CB 3.73Å; P102-Y213 HydrophobicContact CB-CE1 4.37Å; P102-T239 WeakPolarHBondContact CA-O 3.45Å; P102-G241 WeakPolarHBondContact O-CA 3.48Å
103	D	87.5	Confident	83.6	Confident	111 Å²	111	57.9 Å²	57.9	59%	0.594	31%	0.312	S	S	*	.	S	Bend	trans	-92.1	-21	-178.3	-57.9	-60.8	0	0	0	113.6	T101 Y213	T101-D103 PolarHBondContact O-N 2.92Å; D103-Y213 PolarHBondContact OD1-OH 2.85Å
104	R	87.6	Confident	81.8	Confident	117 Å²	117	64.9 Å²	64.9	44%	0.442	35%	0.345	S	S	.	.			trans	-138.3	118.4	-175.5	-63.6	-173.9	179.8	-169	0.4	111.6	T101 F120 L122	T101-R104 PolarHBondContact N-O 3.41Å; T101-R104 CarbonylContact O-C 3.56Å; T101-R104 PolarHBondContact O-N 3.47Å; T101-R104 PolarHBondContact OG1-N 2.93Å; T101-R104 PolarHBondContact OG1-O 2.96Å; R104-F120 PolarHBondContact NH1-O 3.2Å; R104-L122 HydrophobicContact CB-CD1 4.34Å
105	D	88.4	Confident	80.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.36	C	S	.	.			trans	-116.2	131.3	168.5	-166.8	-45.6	0	0	0	108.5	W100 R107 D108 K240	W100-D105 HydrophobicContact CB-CB 4.29Å; D105-R107 PolarHBondContact O-N 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 3.35Å; D105-R107 PolarHBondContact OD1-N 3.29Å; D105-D108 HydrophobicContact CB-CB 4.32Å; D105-D108 WeakPolarHBondContact O-CB 3.33Å; D105-D108 PolarHBondContact O-N 3Å; D105-K240 WeakPolarHBondContact OD2-CD 3.29Å; D105-K240 IonicContact OD2-NZ 3.84Å; D105-K240 PolarHBondContact OD2-NZ 3.41Å
106	P	85.1	Confident	78.4	Confident	59 Å²	59	73.7 Å²	73.7	38%	0.383	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.2	174.1	-28.5	35.9	0	0	0	114.1	K99 D108 L122	K99-P106 WeakPolarHBondContact O-CD 3.38Å; K99-P106 WeakPolarHBondContact O-CG 3.37Å; P106-D108 VanDerWaalsContact C-N 3.34Å; P106-L122 HydrophobicContact CG-CD2 3.84Å
107	R	83.1	Confident	76.6	Confident	57 Å²	57	79 Å²	79	22%	0.215	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.8	177.8	-68.9	179	179	74.9	-6.9	114.4	D105 N576 E579 L596	D105-R107 PolarHBondContact O-N 2.97Å; D105-R107 WeakPolarHBondContact OD1-CB 3.35Å; D105-R107 PolarHBondContact OD1-N 3.29Å; R107-N576 PolarHBondContact NH2-OD1 2.92Å; R107-E579 IonicContact CZ-OE2 3.18Å; R107-E579 IonicContact NH1-OE2 2.68Å; R107-E579 PolarHBondContact NH1-OE2 3.27Å; R107-E579 IonicContact NH2-OE2 2.82Å; R107-E579 PolarHBondContact NH2-OE2 2.94Å; R107-L596 HydrophobicContact CB-CD1 4.49Å
108	D	81.3	Confident	75.2	Confident	35 Å²	35	80.7 Å²	80.7	19%	0.187	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.2	174.9	-66.5	-19.6	0	0	0	112	D105 P106 K586	D105-D108 HydrophobicContact CB-CB 4.32Å; D105-D108 WeakPolarHBondContact O-CB 3.33Å; D105-D108 PolarHBondContact O-N 3Å; P106-D108 VanDerWaalsContact C-N 3.34Å; D108-K586 IonicContact OD2-NZ 2.69Å; D108-K586 PolarHBondContact OD2-NZ 2.91Å
109	Q	69.5	Low	73.9	Confident	54 Å²	54	85.9 Å²	85.9	25%	0.252	44%	0.436	S	S	.	.	S	Bend	trans	-82.1	135.8	-175.3	-68	-179	-32.3	0	0	111.9	E118 H598	Q109-E118 PolarHBondContact NE2-OE1 2.92Å; Q109-E118 PolarHBondContact NE2-OE2 2.99Å; Q109-H598 PolarHBondContact O-NE2 3.5Å
110	I	61.1	Low	73	Confident	118 Å²	118	89.3 Å²	89.3	61%	0.605	45%	0.451	S	S	*	.			trans	-68	127.9	168.3	-45.5	-176.3	0	0	0	107.3	I112 H598	I110-I112 VanDerWaalsContact C-N 3.3Å; I110-I112 PolarHBondContact O-N 3.36Å; I110-H598 VanDerWaalsContact CA-NE2 3.34Å; I110-H598 WeakPolarHBondContact CA-NE2 3.48Å
111	P	56.6	Low	72.2	Confident	109 Å²	109	93.9 Å²	93.9	71%	0.708	48%	0.481	S	S	*	.			trans	-58.1	101.7	164.3	-19.4	31.6	0	0	0	107.4	D113	P111-D113 PolarHBondContact O-N 3.42Å
112	I	56.1	Low	71.8	Confident	78 Å²	78	94.2 Å²	94.2	40%	0.4	48%	0.481	S	S	.	.			trans	-60.7	137.1	171.8	-56.2	174.4	0	0	0	105.6	I110 E114 T116 E118	I110-I112 VanDerWaalsContact C-N 3.3Å; I110-I112 PolarHBondContact O-N 3.36Å; I112-E114 PolarHBondContact O-N 3.45Å; I112-E114 VanDerWaalsContact O-N 3.12Å; I112-T116 VanDerWaalsContact CG2-CB 3.45Å; I112-T116 WeakPolarHBondContact CG2-OG1 3.5Å; I112-E118 HydrophobicContact CD1-CG 3.88Å
113	D	56.2	Low	71.5	Confident	108 Å²	108	96.5 Å²	96.5	58%	0.578	50%	0.498	S	S	*	.			trans	-37.7	124.9	168.8	-176.9	8.9	0	0	0	108.1	P111 K115 T116	P111-D113 PolarHBondContact O-N 3.42Å; D113-K115 PolarHBondContact O-N 2.9Å; D113-T116 PolarHBondContact O-N 2.92Å; D113-T116 PolarHBondContact O-OG1 3.2Å
114	E	58	Low	71.4	Confident	196 Å²	196	96.9 Å²	96.9	92%	0.916	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-15.2	-166	-70.1	-177.9	160.5	0	0	113.5	I112	I112-E114 PolarHBondContact O-N 3.45Å; I112-E114 VanDerWaalsContact O-N 3.12Å
115	K	58.4	Low	71.7	Confident	181 Å²	181	94.8 Å²	94.8	79%	0.787	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.1	177.1	-61.6	-178.9	-177.3	172.2	0	115.4	D113	D113-K115 PolarHBondContact O-N 2.9Å
116	T	60.4	Low	71.9	Confident	86 Å²	86	95.9 Å²	95.9	53%	0.528	52%	0.515	S	S	.	.	S	Bend	trans	-110.7	98.9	-177.6	3.8	0	0	0	0	109.9	I112 D113 E118	I112-T116 VanDerWaalsContact CG2-CB 3.45Å; I112-T116 WeakPolarHBondContact CG2-OG1 3.5Å; D113-T116 PolarHBondContact O-N 2.92Å; D113-T116 PolarHBondContact O-OG1 3.2Å; T116-E118 PolarHBondContact O-N 3.47Å
117	Q	57.5	Low	72.3	Confident	184 Å²	184	98.5 Å²	98.5	86%	0.86	53%	0.526	S	S	*	.			trans	-60.9	130.1	171.5	-77.6	-179.3	-10.3	0	0	109.8
118	E	63.4	Low	72.9	Confident	64 Å²	64	96 Å²	96	30%	0.299	52%	0.517	S	S	.	.			trans	-60.2	125.3	173.1	-125.8	-178.1	-158	0	0	108.9	Q109 I112 T116 F120	Q109-E118 PolarHBondContact NE2-OE1 2.92Å; Q109-E118 PolarHBondContact NE2-OE2 2.99Å; I112-E118 HydrophobicContact CD1-CG 3.88Å; T116-E118 PolarHBondContact O-N 3.47Å; E118-F120 PolarHBondContact O-N 3.27Å; E118-F120 VanDerWaalsContact O-N 3.14Å
119	P	68.7	Low	73.6	Confident	109 Å²	109	96.6 Å²	96.6	71%	0.708	52%	0.522	S	S	*	.	S	Bend	trans	-65.4	-20.9	-174	19.2	-28.6	0	0	0	113.5
120	F	75	Confident	74.9	Confident	157 Å²	157	94 Å²	94	69%	0.689	51%	0.51	S	S	*	.	S	Bend	trans	-141.8	84	176	-58.9	-77.7	0	0	0	109.6	R104 E118	R104-F120 PolarHBondContact NH1-O 3.2Å; E118-F120 PolarHBondContact O-N 3.27Å; E118-F120 VanDerWaalsContact O-N 3.14Å
121	P	77.6	Confident	76.6	Confident	96 Å²	96	89.6 Å²	89.6	62%	0.623	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-64.6	144.9	-179.9	28.1	-34.1	0	0	0	110.1	S123	P121-S123 PolarHBondContact O-N 3.38Å
122	L	84.3	Confident	78.6	Confident	41 Å²	41	84.5 Å²	84.5	22%	0.215	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-66.7	132.6	174.1	-169.3	72.4	0	0	0	110.1	K99 T101 R104 P106	K99-L122 WeakPolarHBondContact O-CD2 3.48Å; T101-L122 HydrophobicContact CG2-CD1 4.02Å; R104-L122 HydrophobicContact CB-CD1 4.34Å; P106-L122 HydrophobicContact CG-CD2 3.84Å
123	S	86.4	Confident	80.6	Confident	67 Å²	67	80.8 Å²	80.8	47%	0.469	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.1	145.4	174	-65.3	0	0	0	0	110.5	P121 S125 N126	P121-S123 PolarHBondContact O-N 3.38Å; S123-S125 PolarHBondContact O-N 2.87Å; S123-N126 WeakPolarHBondContact CB-OD1 3.35Å; S123-N126 PolarHBondContact O-ND2 2.83Å
124	P	85.7	Confident	82.5	Confident	118 Å²	118	76.3 Å²	76.3	77%	0.766	41%	0.41	S	S	*	.	S	Bend	trans	-68.6	-17.8	179.9	27.4	-35.2	0	0	0	113.5
125	S	92.3	Very high	84.4	Confident	73 Å²	73	67.1 Å²	67.1	51%	0.51	37%	0.368	S	S	.	.	S	Bend	trans	-140.6	121.7	178.5	173.7	0	0	0	0	108	G97 L98 S123	G97-S125 WeakPolarHBondContact CA-OG 3.4Å; L98-S125 CarbonylContact O-C 3.15Å; S123-S125 PolarHBondContact O-N 2.87Å
126	N	93.8	Very high	86.3	Confident	23 Å²	23	58.5 Å²	58.5	12%	0.123	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144	-174.7	-55.8	-87.1	0	0	0	109.9	G97 L98 T101 S123 V128	G97-N126 PolarHBondContact N-O 3.05Å; G97-N126 VanDerWaalsContact N-O 3.15Å; L98-N126 PolarHBondContact N-O 3.48Å; L98-N126 WeakPolarHBondContact O-CB 3.27Å; L98-N126 PolarHBondContact O-N 3.31Å; L98-N126 PolarHBondContact O-ND2 3.48Å; T101-N126 HydrophobicContact CG2-CB 4.15Å; S123-N126 WeakPolarHBondContact CB-OD1 3.35Å; S123-N126 PolarHBondContact O-ND2 2.83Å; N126-V128 HydrophobicContact CB-CG2 4.38Å
127	D	94.1	Very high	88.1	Confident	115 Å²	115	55.6 Å²	55.6	62%	0.615	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	105	170.1	-68.9	-11.7	0	0	0	108.2	V94 P96	V94-D127 HydrophobicContact CG1-CB 3.74Å; P96-D127 WeakPolarHBondContact CA-OD1 3.49Å; P96-D127 WeakPolarHBondContact CB-OD1 3.35Å
128	V	95.5	Very high	90	Very high	5 Å²	5	47 Å²	47	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.5	-176.1	178.2	0	0	0	0	109.8	M95 L98 W100 T101 P102 N126 I130 T239	M95-V128 PolarHBondContact N-O 2.93Å; M95-V128 PolarHBondContact O-N 3.32Å; L98-V128 HydrophobicContact CB-CG2 4.26Å; L98-V128 HydrophobicContact CD1-CB 3.91Å; L98-V128 HydrophobicContact CD1-CG2 3.83Å; W100-V128 VanDerWaalsContact O-CG2 3.28Å; W100-V128 WeakPolarHBondContact O-CG2 3.4Å; T101-V128 HydrophobicContact CG2-CG2 4.37Å; P102-V128 HydrophobicContact CG-CG1 3.69Å; N126-V128 HydrophobicContact CB-CG2 4.38Å; V128-I130 HydrophobicContact CG1-CG2 4.36Å; V128-T239 HydrophobicContact CB-CG2 4.33Å; V128-T239 HydrophobicContact CG1-CG2 4Å
129	T	95.1	Very high	91.6	Very high	46 Å²	46	44.2 Å²	44.2	28%	0.282	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134	171.5	-61.4	0	0	0	0	110.4	K92 M93 F131	K92-T129 HydrophobicContact CD-CG2 4.12Å; K92-T129 VanDerWaalsContact CE-CG2 3.44Å; K92-T129 HydrophobicContact CG-CG2 3.58Å; M93-T129 CarbonylContact O-C 3.53Å; M93-T129 WeakPolarHBondContact O-CA 3.36Å; T129-F131 HydrophobicContact CG2-CE2 4.37Å; T129-F131 HydrophobicContact CG2-CZ 4.16Å
130	I	96.2	Very high	93	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	162.3	168.1	63	168.4	0	0	0	110.1	M93 M95 V128 V132 H235 T239	M93-I130 HydrophobicContact CB-CG1 4.13Å; M93-I130 PolarHBondContact N-O 2.94Å; M93-I130 PolarHBondContact O-N 3.48Å; M95-I130 HydrophobicContact CE-CD1 3.98Å; M95-I130 HydrophobicContact CE-CG1 4.27Å; M95-I130 HydrophobicContact CG-CD1 4.01Å; M95-I130 HydrophobicContact CG-CG1 4.2Å; M95-I130 HydrophobicContact SD-CD1 4.42Å; V128-I130 HydrophobicContact CG1-CG2 4.36Å; I130-V132 HydrophobicContact CD1-CG2 3.76Å; I130-V132 HydrophobicContact CG1-CG2 4.01Å; I130-H235 HydrophobicContact CD1-CB 3.75Å; I130-H235 WeakPolarHBondContact CD1-O 3.25Å; I130-T239 HydrophobicContact CG2-CG2 3.63Å
131	F	97.1	Very high	94	Very high	26 Å²	26	41.3 Å²	41.3	11%	0.114	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131	175.5	-54.8	-87.3	0	0	0	109.3	V79 K92 T129 F133 T202 V205	V79-F131 HydrophobicContact CB-CD1 4.04Å; V79-F131 HydrophobicContact CB-CE1 4.48Å; V79-F131 HydrophobicContact CG1-CB 4.33Å; V79-F131 HydrophobicContact CG1-CD1 3.83Å; V79-F131 HydrophobicContact CG2-CD1 4.01Å; V79-F131 HydrophobicContact CG2-CE1 4.24Å; K92-F131 HydrophobicContact CB-CD1 4.14Å; K92-F131 HydrophobicContact CB-CE1 4.18Å; K92-F131 HydrophobicContact CD-CE1 4.38Å; K92-F131 HydrophobicContact CG-CD1 4.27Å; K92-F131 HydrophobicContact CG-CE1 3.94Å; T129-F131 HydrophobicContact CG2-CE2 4.37Å; T129-F131 HydrophobicContact CG2-CZ 4.16Å; F131-F133 HydrophobicContact CB-CE2 4.04Å; F131-T202 HydrophobicContact CB-CG2 3.97Å; F131-T202 PolarHBondContact N-O 3.36Å; F131-T202 PolarHBondContact O-N 3.26Å; F131-V205 HydrophobicContact CB-CG1 3.76Å; F131-V205 HydrophobicContact CB-CG2 4.2Å; F131-V205 HydrophobicContact CD1-CG2 3.58Å; F131-V205 HydrophobicContact CD2-CB 4.48Å; F131-V205 HydrophobicContact CD2-CG1 4.16Å; F131-V205 HydrophobicContact CD2-CG2 3.76Å; F131-V205 HydrophobicContact CE1-CG2 3.76Å; F131-V205 HydrophobicContact CE2-CG2 3.96Å; F131-V205 HydrophobicContact CG-CB 4.4Å; F131-V205 HydrophobicContact CG-CG1 3.96Å; F131-V205 HydrophobicContact CG-CG2 3.55Å; F131-V205 HydrophobicContact CZ-CG2 3.94Å
132	V	97.9	Very high	95	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.3	-167.8	-174.9	0	0	0	0	109.3	G90 T91 M93 I130 L134 Y201	G90-V132 CarbonylContact C-O 3.56Å; G90-V132 VanDerWaalsContact CA-O 3.3Å; G90-V132 WeakPolarHBondContact CA-O 3.46Å; T91-V132 PolarHBondContact N-O 3.01Å; T91-V132 PolarHBondContact O-N 3.26Å; M93-V132 HydrophobicContact CE-CB 4.49Å; M93-V132 HydrophobicContact CG-CG2 4.25Å; M93-V132 HydrophobicContact SD-CB 4.38Å; M93-V132 HydrophobicContact SD-CG2 3.87Å; I130-V132 HydrophobicContact CD1-CG2 3.76Å; I130-V132 HydrophobicContact CG1-CG2 4.01Å; V132-L134 HydrophobicContact CG1-CD1 4.16Å; V132-L134 HydrophobicContact CG1-CD2 3.41Å; V132-L134 VanDerWaalsContact CG1-CD2 3.41Å; V132-L134 HydrophobicContact CG1-CG 3.66Å; V132-Y201 HydrophobicContact CB-CD1 4.42Å; V132-Y201 HydrophobicContact CG1-CD1 3.68Å; V132-Y201 HydrophobicContact CG1-CE1 3.62Å; V132-Y201 HydrophobicContact CG2-CD1 4.09Å
133	F	98.3	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	107.8	177.4	-55.2	-97.4	0	0	0	108.2	V79 V81 I88 G90 F131 I136 A164 N199 V200 T202 V205 F286	V79-F133 HydrophobicContact CG1-CE1 4.03Å; V79-F133 HydrophobicContact CG1-CE2 4.45Å; V79-F133 HydrophobicContact CG1-CZ 3.66Å; V81-F133 HydrophobicContact CB-CE1 4.15Å; V81-F133 HydrophobicContact CB-CZ 4.26Å; V81-F133 HydrophobicContact CG2-CE1 3.79Å; V81-F133 HydrophobicContact CG2-CE2 4.34Å; V81-F133 HydrophobicContact CG2-CZ 3.43Å; V81-F133 VanDerWaalsContact CG2-CZ 3.43Å; I88-F133 HydrophobicContact CB-CD1 4.46Å; I88-F133 HydrophobicContact CG2-CD1 3.64Å; I88-F133 HydrophobicContact CG2-CE1 4.33Å; G90-F133 VanDerWaalsContact CA-CD1 3.41Å; F131-F133 HydrophobicContact CB-CE2 4.04Å; F133-I136 HydrophobicContact CB-CD1 3.71Å; F133-I136 HydrophobicContact CB-CG1 4.3Å; F133-A164 CarbonylContact C-O 3.56Å; F133-A164 WeakPolarHBondContact CA-O 3.41Å; F133-A164 HydrophobicContact CB-CB 4.14Å; F133-N199 CarbonylContact O-C 3.37Å; F133-N199 WeakPolarHBondContact O-CA 3.3Å; F133-V200 HydrophobicContact CB-CB 4.36Å; F133-V200 HydrophobicContact CD2-CB 4.47Å; F133-V200 PolarHBondContact N-O 3.31Å; F133-V200 PolarHBondContact O-N 2.78Å; F133-T202 HydrophobicContact CE2-CG2 4.19Å; F133-V205 HydrophobicContact CE2-CG1 3.79Å; F133-V205 HydrophobicContact CZ-CG1 3.93Å; F133-F286 HydrophobicContact CB-CE1 4.37Å; F133-F286 AromaticContact CD1-CE1 3.96Å; F133-F286 HydrophobicContact CD1-CE1 3.96Å; F133-F286 AromaticContact CD2-CD1 3.68Å; F133-F286 HydrophobicContact CD2-CD1 3.68Å; F133-F286 AromaticContact CD2-CE1 3.54Å; F133-F286 HydrophobicContact CD2-CE1 3.54Å; F133-F286 HydrophobicContact CE1-CE1 4.09Å; F133-F286 AromaticContact CE2-CD1 3.59Å; F133-F286 HydrophobicContact CE2-CD1 3.59Å; F133-F286 AromaticContact CE2-CE1 3.71Å; F133-F286 HydrophobicContact CE2-CE1 3.71Å; F133-F286 HydrophobicContact CG-CD1 4.31Å; F133-F286 AromaticContact CG-CE1 3.69Å; F133-F286 HydrophobicContact CG-CE1 3.69Å; F133-F286 HydrophobicContact CZ-CD1 4.13Å; F133-F286 AromaticContact CZ-CE1 3.98Å; F133-F286 HydrophobicContact CZ-CE1 3.98Å
134	L	97.8	Very high	95.8	Very high	15 Å²	15	37 Å²	37	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.3	-174.6	-52.8	178.1	0	0	0	109.8	V132 A164 K166 L167 N199 Y201	V132-L134 HydrophobicContact CG1-CD1 4.16Å; V132-L134 HydrophobicContact CG1-CD2 3.41Å; V132-L134 VanDerWaalsContact CG1-CD2 3.41Å; V132-L134 HydrophobicContact CG1-CG 3.66Å; L134-A164 PolarHBondContact N-O 3.43Å; L134-A164 CarbonylContact O-C 3.54Å; L134-A164 WeakPolarHBondContact O-CA 3.37Å; L134-A164 WeakPolarHBondContact O-CB 3.43Å; L134-K166 CarbonylContact C-O 3.57Å; L134-K166 VanDerWaalsContact CB-C 3.46Å; L134-K166 WeakPolarHBondContact CB-O 3.3Å; L134-K166 VanDerWaalsContact O-O 3.13Å; L134-L167 HydrophobicContact CB-CD2 4.37Å; L134-L167 HydrophobicContact CD1-CD2 4.34Å; L134-L167 HydrophobicContact CD1-CG 4.2Å; L134-L167 HydrophobicContact CD2-CD2 4.03Å; L134-L167 HydrophobicContact CG-CD2 4.47Å; L134-N199 WeakPolarHBondContact CA-OD1 3.38Å; L134-N199 HydrophobicContact CD2-CB 3.95Å; L134-Y201 HydrophobicContact CD2-CE1 3.75Å; L134-Y201 WeakPolarHBondContact CD2-OH 3.44Å
135	G	97	Very high	96.1	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.4	40.3	172.5	0	0	0	0	0	115.4	Y197 L198 N199	G135-Y197 WeakPolarHBondContact O-CD1 3.48Å; G135-L198 PolarHBondContact N-O 2.9Å; G135-N199 PolarHBondContact N-OD1 3.39Å
136	I	98.1	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.9	171.7	-59.6	165.5	0	0	0	108.5	I88 F133 Y138 F157 I162 A164 Y197 L198 V200 W278 F286	I88-I136 HydrophobicContact CD1-CD1 4.13Å; I88-I136 HydrophobicContact CD1-CG1 4.43Å; I88-I136 HydrophobicContact CD1-CG2 4.23Å; I88-I136 HydrophobicContact CG2-CD1 4.12Å; I88-I136 HydrophobicContact CG2-CG1 4Å; F133-I136 HydrophobicContact CB-CD1 3.71Å; F133-I136 HydrophobicContact CB-CG1 4.3Å; I136-Y138 PolarHBondContact O-N 2.97Å; I136-F157 HydrophobicContact CG2-CE1 4.45Å; I136-F157 HydrophobicContact CG2-CZ 4.36Å; I136-I162 HydrophobicContact CB-CD1 4.45Å; I136-I162 HydrophobicContact CG1-CD1 4.39Å; I136-I162 HydrophobicContact CG2-CD1 4.08Å; I136-A164 HydrophobicContact CG1-CB 3.98Å; I136-Y197 CarbonylContact O-C 3.11Å; I136-Y197 WeakPolarHBondContact O-CA 3.34Å; I136-L198 HydrophobicContact CB-CD1 3.9Å; I136-L198 HydrophobicContact CB-CG 4.36Å; I136-L198 HydrophobicContact CD1-CD1 4.03Å; I136-L198 HydrophobicContact CG1-CD1 4.49Å; I136-L198 HydrophobicContact CG2-CD1 4.39Å; I136-L198 PolarHBondContact N-O 2.87Å; I136-L198 PolarHBondContact O-N 3.44Å; I136-V200 HydrophobicContact CD1-CG2 4.02Å; I136-W278 HydrophobicContact CD1-CH2 4.36Å; I136-W278 HydrophobicContact CD1-CZ2 4.44Å; I136-W278 HydrophobicContact CG2-CZ2 4Å; I136-F286 HydrophobicContact CD1-CE1 4.45Å; I136-F286 HydrophobicContact CD1-CZ 4.09Å
137	P	97.7	Very high	96.4	Very high	26 Å²	26	34.6 Å²	34.6	17%	0.169	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.4	174.2	30.1	-33.3	0	0	0	109.5	L154 F157 I162 Y197	P137-L154 HydrophobicContact CB-CD1 3.92Å; P137-L154 HydrophobicContact CG-CD1 4.2Å; P137-L154 VanDerWaalsContact O-CD1 3.24Å; P137-L154 WeakPolarHBondContact O-CD1 3.39Å; P137-F157 HydrophobicContact CG-CD1 3.93Å; P137-F157 HydrophobicContact CG-CE1 4.02Å; P137-I162 HydrophobicContact CG-CD1 4.49Å; P137-Y197 HydrophobicContact CB-CD1 3.9Å; P137-Y197 HydrophobicContact CB-CE1 3.75Å; P137-Y197 HydrophobicContact CG-CE1 4.38Å
138	Y	98	Very high	96.4	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	16%	0.159	C	C	.	.			trans	-108	-14.1	176.9	66.3	-100.7	0	0	0	113.1	I136 L196 L198 A247 N248 L274 V275	I136-Y138 PolarHBondContact O-N 2.97Å; Y138-L196 WeakPolarHBondContact CD1-O 3.45Å; Y138-L196 HydrophobicContact CE1-CB 4.05Å; Y138-L196 WeakPolarHBondContact CE1-O 3.33Å; Y138-L196 HydrophobicContact CE2-CB 4.1Å; Y138-L196 PolarHBondContact N-O 3.32Å; Y138-L196 WeakPolarHBondContact OH-CD2 3.29Å; Y138-L198 HydrophobicContact CD1-CB 4.02Å; Y138-L198 HydrophobicContact CD1-CD2 3.99Å; Y138-L198 HydrophobicContact CD1-CG 4.12Å; Y138-L198 HydrophobicContact CG-CD2 4.14Å; Y138-A247 HydrophobicContact CE1-CB 4.41Å; Y138-N248 PolarHBondContact OH-O 3.2Å; Y138-L274 HydrophobicContact CD2-CD2 4.18Å; Y138-L274 HydrophobicContact CD2-CG 4.16Å; Y138-V275 HydrophobicContact CD1-CG2 3.87Å; Y138-V275 HydrophobicContact CD2-CG2 3.88Å; Y138-V275 HydrophobicContact CE1-CG2 3.66Å; Y138-V275 HydrophobicContact CE2-CG2 3.7Å; Y138-V275 HydrophobicContact CG-CG2 3.96Å
139	A	98	Very high	96.4	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.041	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-137.2	163.7	179	0	0	0	0	0	110.9	P151 Q152 L196 L274	A139-P151 HydrophobicContact CB-CB 4.14Å; A139-Q152 WeakPolarHBondContact CA-O 3.45Å; A139-L196 HydrophobicContact CB-CB 4.08Å; A139-L196 HydrophobicContact CB-CD1 3.68Å; A139-L274 HydrophobicContact CB-CD2 3.73Å
140	R	97.4	Very high	96.6	Very high	139 Å²	139	33.9 Å²	33.9	53%	0.525	18%	0.181	S	C	.	.			trans	-64.4	148.1	164.4	-64.2	-179.5	64.1	-175.3	-0.3	109.7	L146 Q152 L154	R140-L146 HydrophobicContact CB-CD1 4.18Å; R140-Q152 HydrophobicContact CB-CB 4.16Å; R140-Q152 HydrophobicContact CG-CB 4.15Å; R140-Q152 PolarHBondContact N-O 2.97Å; R140-L154 HydrophobicContact CG-CD2 3.79Å
141	K	97	Very high	96.7	Very high	66 Å²	66	35 Å²	35	29%	0.287	19%	0.188	S	C	.	.			trans	-50.9	120.3	178	-52.8	-178	174.5	140.8	0	110	I143 E158 D194	K141-I143 HydrophobicContact CB-CD1 4.14Å; K141-I143 HydrophobicContact CB-CG1 3.91Å; K141-I143 HydrophobicContact CD-CD1 4.42Å; K141-I143 PolarHBondContact O-N 3.5Å; K141-E158 WeakPolarHBondContact CE-OE1 3.46Å; K141-E158 IonicContact NZ-OE1 2.83Å; K141-E158 PolarHBondContact NZ-OE1 3.28Å; K141-E158 IonicContact NZ-OE2 3.51Å; K141-E158 PolarHBondContact NZ-OE2 3.02Å; K141-D194 WeakPolarHBondContact CD-OD2 3.31Å; K141-D194 WeakPolarHBondContact CE-OD2 3.39Å; K141-D194 HydrophobicContact CG-CB 4.47Å; K141-D194 WeakPolarHBondContact CG-OD1 3.49Å
142	P	96.6	Very high	96.7	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.026	20%	0.201	C	C	.	.			trans	-83.3	56.4	-176.6	38.3	-39.9	0	0	0	110.3	R147 E193 L196 R250	P142-R147 VanDerWaalsContact O-CA 3.24Å; P142-R147 WeakPolarHBondContact O-CA 3.12Å; P142-E193 VanDerWaalsContact O-OE1 3.11Å; P142-L196 HydrophobicContact CB-CD1 3.88Å; P142-L196 HydrophobicContact CB-CG 4.48Å; P142-L196 HydrophobicContact CG-CD1 3.64Å; P142-L196 HydrophobicContact CG-CD2 4.41Å; P142-L196 HydrophobicContact CG-CG 3.71Å; P142-R250 HydrophobicContact CG-CG 4.5Å
143	I	96.3	Very high	96.6	Very high	70 Å²	70	42.1 Å²	42.1	36%	0.359	22%	0.22	S	C	.	.			trans	-117.9	159.4	-174.9	61.2	172.8	0	0	0	111.3	K141 P145 L146 E193	K141-I143 HydrophobicContact CB-CD1 4.14Å; K141-I143 HydrophobicContact CB-CG1 3.91Å; K141-I143 HydrophobicContact CD-CD1 4.42Å; K141-I143 PolarHBondContact O-N 3.5Å; I143-P145 WeakPolarHBondContact O-CD 3.44Å; I143-L146 PolarHBondContact O-N 3.48Å; I143-E193 HydrophobicContact CG2-CB 3.95Å; I143-E193 HydrophobicContact CG2-CG 3.83Å
144	G	92.9	Very high	96.5	Very high	38 Å²	38	43.6 Å²	43.6	39%	0.392	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	54.5	-120.5	178.4	0	0	0	0	0	111.4	L146 R147	G144-L146 PolarHBondContact O-N 2.87Å; G144-L146 VanDerWaalsContact O-N 3.15Å; G144-R147 WeakPolarHBondContact O-CB 3.37Å; G144-R147 PolarHBondContact O-N 2.97Å
145	P	92	Very high	96.3	Very high	106 Å²	106	51.2 Å²	51.2	69%	0.688	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-63.5	-20.4	-179.8	27.7	-34.7	0	0	0	113.6	I143 H149	I143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-H149 PolarHBondContact O-CE1 3.41Å; P145-H149 VanDerWaalsContact O-CE1 3.22Å; P145-H149 PolarHBondContact O-ND1 2.95Å
146	L	95.8	Very high	96.2	Very high	40 Å²	40	57.4 Å²	57.4	21%	0.209	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-91.1	-5	-179	-63	-179.5	0	0	0	114.1	R140 I143 G144 F148 H149 Q152	R140-L146 HydrophobicContact CB-CD1 4.18Å; I143-L146 PolarHBondContact O-N 3.48Å; G144-L146 PolarHBondContact O-N 2.87Å; G144-L146 VanDerWaalsContact O-N 3.15Å; L146-F148 PolarHBondContact O-N 2.86Å; L146-H149 PolarHBondContact O-N 3.37Å; L146-Q152 HydrophobicContact CD2-CG 3.99Å
147	R	95.2	Very high	96	Very high	19 Å²	19	57.7 Å²	57.7	7%	0.072	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-51.5	-174.6	179.8	-177.4	-71.9	178.8	-6.4	114	P142 G144 E193 R250 L254 L367 R369	P142-R147 VanDerWaalsContact O-CA 3.24Å; P142-R147 WeakPolarHBondContact O-CA 3.12Å; G144-R147 WeakPolarHBondContact O-CB 3.37Å; G144-R147 PolarHBondContact O-N 2.97Å; R147-E193 WeakPolarHBondContact CG-OE1 3.3Å; R147-E193 IonicContact CZ-OE1 2.68Å; R147-E193 IonicContact CZ-OE2 2.84Å; R147-E193 IonicContact NE-OE1 3.84Å; R147-E193 PolarHBondContact NE-OE1 3.29Å; R147-E193 IonicContact NE-OE2 2.71Å; R147-E193 IonicContact NH2-OE1 3.31Å; R147-E193 PolarHBondContact NH2-OE1 3.32Å; R147-E193 IonicContact NH2-OE2 3.62Å; R147-E193 PolarHBondContact NH2-OE2 3.5Å; R147-R250 PolarHBondContact O-NH1 3.41Å; R147-L254 HydrophobicContact CG-CD2 3.74Å; R147-L367 HydrophobicContact CB-CD2 4.29Å; R147-L367 PolarHBondContact NH1-O 2.99Å; R147-R369 PolarHBondContact NH1-O 2.92Å
148	F	95.6	Very high	95.5	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.018	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	47.8	179.4	-54	-48.2	0	0	0	111.6	L146 L254 L257 Y267 W363 L366 L367 L374	L146-F148 PolarHBondContact O-N 2.86Å; F148-L254 HydrophobicContact CE1-CD2 3.91Å; F148-L254 HydrophobicContact CZ-CD2 4.36Å; F148-L257 HydrophobicContact CE1-CD1 4.45Å; F148-L257 HydrophobicContact CZ-CD1 4.22Å; F148-Y267 HydrophobicContact CB-CE2 4.01Å; F148-Y267 HydrophobicContact CD1-CE2 4.5Å; F148-Y267 VanDerWaalsContact O-CZ 3.3Å; F148-Y267 PolarHBondContact O-OH 3.37Å; F148-Y267 VanDerWaalsContact O-OH 3.06Å; F148-W363 HydrophobicContact CB-CH2 3.94Å; F148-W363 HydrophobicContact CB-CZ2 3.31Å; F148-W363 HydrophobicContact CD2-CZ2 4.1Å; F148-W363 HydrophobicContact CG-CH2 4.39Å; F148-W363 AromaticContact CG-CZ2 3.99Å; F148-W363 HydrophobicContact CG-CZ2 3.99Å; F148-L366 HydrophobicContact CE2-CB 4.15Å; F148-L367 HydrophobicContact CB-CD2 4.43Å; F148-L367 HydrophobicContact CD2-CD2 3.34Å; F148-L367 HydrophobicContact CD2-CG 3.84Å; F148-L367 HydrophobicContact CE2-CD2 3.87Å; F148-L367 HydrophobicContact CE2-CG 4.18Å; F148-L367 HydrophobicContact CG-CD2 4.15Å; F148-L374 HydrophobicContact CZ-CD1 3.93Å
149	H	95.7	Very high	94.9	Very high	92 Å²	92	65.7 Å²	65.7	43%	0.426	34%	0.335	S	S	.	.	S	Bend	trans	-125.1	157.1	172.7	-78.1	90.1	0	0	0	111.2	P145 L146 R250 Y267	P145-H149 PolarHBondContact O-CE1 3.41Å; P145-H149 VanDerWaalsContact O-CE1 3.22Å; P145-H149 PolarHBondContact O-ND1 2.95Å; L146-H149 PolarHBondContact O-N 3.37Å; H149-R250 PolarHBondContact O-NH1 2.92Å; H149-R250 PolarHBondContact O-NH2 2.78Å; H149-Y267 VanDerWaalsContact C-CD1 3.49Å
150	P	97.4	Very high	94.5	Very high	55 Å²	55	72.4 Å²	72.4	36%	0.357	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-50.8	140.3	164.7	-25	34.9	0	0	0	110.6	Q152 M270	P150-Q152 PolarHBondContact O-N 3Å; P150-Q152 PolarHBondContact O-NE2 2.94Å; P150-M270 HydrophobicContact CB-SD 3.78Å; P150-M270 HydrophobicContact CG-SD 3.85Å
151	P	98.1	Very high	94.3	Very high	22 Å²	22	68 Å²	68	14%	0.143	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-59.6	138.8	-178.5	28.2	-35.5	0	0	0	110.7	A139 L196 M270 D271 L274	A139-P151 HydrophobicContact CB-CB 4.14Å; P151-L196 HydrophobicContact CB-CD1 4.43Å; P151-M270 HydrophobicContact CG-CB 4.06Å; P151-M270 WeakPolarHBondContact CG-O 3.48Å; P151-D271 VanDerWaalsContact CB-OD1 3.25Å; P151-D271 WeakPolarHBondContact CB-OD1 3.49Å; P151-D271 WeakPolarHBondContact CG-OD1 3.47Å; P151-L274 HydrophobicContact CB-CD2 3.76Å; P151-L274 HydrophobicContact CG-CB 4.17Å; P151-L274 HydrophobicContact CG-CD2 4.04Å
152	Q	97.6	Very high	94.3	Very high	82 Å²	82	66 Å²	66	38%	0.383	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-97.6	130.2	-177.7	-61.7	-61.1	-54	0	0	110	A139 R140 L146 P150	A139-Q152 WeakPolarHBondContact CA-O 3.45Å; R140-Q152 HydrophobicContact CB-CB 4.16Å; R140-Q152 HydrophobicContact CG-CB 4.15Å; R140-Q152 PolarHBondContact N-O 2.97Å; L146-Q152 HydrophobicContact CD2-CG 3.99Å; P150-Q152 PolarHBondContact O-N 3Å; P150-Q152 PolarHBondContact O-NE2 2.94Å
153	K	96.9	Very high	94.2	Very high	96 Å²	96	70.6 Å²	70.6	42%	0.417	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-58	145.1	177.5	-59.2	-167.3	176	-170.8	0	111	L274 E277	K153-L274 HydrophobicContact CD-CD1 4.3Å; K153-L274 HydrophobicContact CG-CD1 3.77Å; K153-E277 WeakPolarHBondContact CE-OE2 3.13Å; K153-E277 IonicContact NZ-OE1 3.59Å; K153-E277 PolarHBondContact NZ-OE1 3.36Å; K153-E277 VanDerWaalsContact NZ-OE1 3.12Å; K153-E277 IonicContact NZ-OE2 3.33Å; K153-E277 PolarHBondContact NZ-OE2 3.41Å
154	L	95	Very high	94.2	Very high	30 Å²	30	67.3 Å²	67.3	16%	0.157	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-83.4	137.9	166.3	-65.8	170.7	0	0	0	109.2	L85 P137 R140	L85-L154 HydrophobicContact CD1-CB 4.35Å; L85-L154 HydrophobicContact CD2-CB 4.22Å; L85-L154 WeakPolarHBondContact CD2-O 3.44Å; P137-L154 HydrophobicContact CB-CD1 3.92Å; P137-L154 HydrophobicContact CG-CD1 4.2Å; P137-L154 VanDerWaalsContact O-CD1 3.24Å; P137-L154 WeakPolarHBondContact O-CD1 3.39Å; R140-L154 HydrophobicContact CG-CD2 3.79Å
155	F	93.4	Very high	94.3	Very high	176 Å²	176	69 Å²	69	77%	0.772	35%	0.352	S	S	*	.	S	Bend	trans	-102	-25.7	170.7	-61.1	-72.7	0	0	0	111.9
156	H	94.8	Very high	94.4	Very high	132 Å²	132	71.2 Å²	71.2	61%	0.611	35%	0.351	S	S	*	.	S	Bend	trans	-153	159.9	173.1	58.3	85.4	0	0	0	108.1	L85	L85-H156 WeakPolarHBondContact O-CA 3.33Å
157	F	94.3	Very high	94.3	Very high	5 Å²	5	72.4 Å²	72.4	2%	0.022	36%	0.357	C	S	.	.			trans	-71.3	159.2	166	-62.2	-44.1	0	0	0	110.7	I83 L85 I88 I136 P137 G159 I162	I83-F157 HydrophobicContact CD1-CZ 4.08Å; L85-F157 HydrophobicContact CB-CD1 4.17Å; L85-F157 HydrophobicContact CB-CD2 4.17Å; L85-F157 HydrophobicContact CB-CE1 3.84Å; L85-F157 HydrophobicContact CB-CE2 3.83Å; L85-F157 HydrophobicContact CB-CG 4.33Å; L85-F157 HydrophobicContact CB-CZ 3.67Å; L85-F157 HydrophobicContact CD1-CE1 3.86Å; L85-F157 HydrophobicContact CD1-CZ 4.09Å; L85-F157 WeakPolarHBondContact O-CD2 3.44Å; L85-F157 PolarHBondContact O-N 3.39Å; I88-F157 HydrophobicContact CD1-CE2 4.2Å; I88-F157 HydrophobicContact CD1-CZ 3.97Å; I88-F157 HydrophobicContact CG1-CE2 3.71Å; I88-F157 HydrophobicContact CG1-CZ 3.96Å; I136-F157 HydrophobicContact CG2-CE1 4.45Å; I136-F157 HydrophobicContact CG2-CZ 4.36Å; P137-F157 HydrophobicContact CG-CD1 3.93Å; P137-F157 HydrophobicContact CG-CE1 4.02Å; F157-G159 WeakPolarHBondContact CB-O 3.34Å; F157-G159 PolarHBondContact O-N 3.3Å; F157-I162 HydrophobicContact CB-CG2 3.74Å; F157-I162 HydrophobicContact CD1-CD1 4.31Å; F157-I162 HydrophobicContact CD1-CG2 4.21Å; F157-I162 HydrophobicContact CD2-CD1 4.21Å; F157-I162 HydrophobicContact CD2-CG1 4.1Å; F157-I162 HydrophobicContact CD2-CG2 3.81Å; F157-I162 HydrophobicContact CE1-CD1 3.92Å; F157-I162 HydrophobicContact CE2-CD1 3.82Å; F157-I162 HydrophobicContact CE2-CG1 3.96Å; F157-I162 HydrophobicContact CE2-CG2 4.48Å; F157-I162 HydrophobicContact CG-CD1 4.45Å; F157-I162 HydrophobicContact CG-CG2 3.66Å; F157-I162 HydrophobicContact CZ-CD1 3.65Å; F157-I162 HydrophobicContact CZ-CG1 4.32Å
158	E	87.3	Confident	94.3	Very high	163 Å²	163	76.4 Å²	76.4	76%	0.762	37%	0.372	S	S	*	.	S	Bend	trans	-61.4	-12	177.6	-70.8	-178.6	169	0	0	113	K141	K141-E158 WeakPolarHBondContact CE-OE1 3.46Å; K141-E158 IonicContact NZ-OE1 2.83Å; K141-E158 PolarHBondContact NZ-OE1 3.28Å; K141-E158 IonicContact NZ-OE2 3.51Å; K141-E158 PolarHBondContact NZ-OE2 3.02Å
159	G	86.6	Confident	94.4	Very high	36 Å²	36	76.4 Å²	76.4	37%	0.371	37%	0.372	S	S	.	.	S	Bend	trans	-145.7	171.1	162.1	0	0	0	0	0	110.8	F157 T161	F157-G159 WeakPolarHBondContact CB-O 3.34Å; F157-G159 PolarHBondContact O-N 3.3Å; G159-T161 PolarHBondContact O-N 3.5Å
160	D	88.3	Confident	94.5	Very high	145 Å²	145	72 Å²	72	78%	0.775	35%	0.352	S	S	*	.	S	Bend	trans	-63.6	-18.7	-175.3	-67.5	-29.5	0	0	0	114.4	K87	K87-D160 PolarHBondContact N-O 3.49Å
161	T	94.3	Very high	94.5	Very high	46 Å²	46	69.5 Å²	69.5	28%	0.282	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.9	-175.7	-57.8	0	0	0	0	110.7	K87 I89 G159	K87-T161 HydrophobicContact CB-CG2 4.07Å; K87-T161 CarbonylContact O-C 3.5Å; K87-T161 VanDerWaalsContact O-CA 3.3Å; K87-T161 WeakPolarHBondContact O-CA 3.41Å; I89-T161 HydrophobicContact CD1-CG2 3.42Å; I89-T161 VanDerWaalsContact CD1-CG2 3.42Å; I89-T161 HydrophobicContact CG1-CG2 3.7Å; G159-T161 PolarHBondContact O-N 3.5Å
162	I	95.5	Very high	94.4	Very high	26 Å²	26	68.7 Å²	68.7	13%	0.133	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.6	171.7	64.2	169.3	0	0	0	110.7	K87 I88 I89 I136 P137 F157	K87-I162 PolarHBondContact O-N 3.43Å; I88-I162 HydrophobicContact CB-CG1 4.2Å; I88-I162 HydrophobicContact CG1-CD1 4.01Å; I88-I162 HydrophobicContact CG1-CG1 3.98Å; I88-I162 HydrophobicContact CG2-CD1 4.1Å; I88-I162 HydrophobicContact CG2-CG1 4.03Å; I89-I162 PolarHBondContact N-O 3.35Å; I136-I162 HydrophobicContact CB-CD1 4.45Å; I136-I162 HydrophobicContact CG1-CD1 4.39Å; I136-I162 HydrophobicContact CG2-CD1 4.08Å; P137-I162 HydrophobicContact CG-CD1 4.49Å; F157-I162 HydrophobicContact CB-CG2 3.74Å; F157-I162 HydrophobicContact CD1-CD1 4.31Å; F157-I162 HydrophobicContact CD1-CG2 4.21Å; F157-I162 HydrophobicContact CD2-CD1 4.21Å; F157-I162 HydrophobicContact CD2-CG1 4.1Å; F157-I162 HydrophobicContact CD2-CG2 3.81Å; F157-I162 HydrophobicContact CE1-CD1 3.92Å; F157-I162 HydrophobicContact CE2-CD1 3.82Å; F157-I162 HydrophobicContact CE2-CG1 3.96Å; F157-I162 HydrophobicContact CE2-CG2 4.48Å; F157-I162 HydrophobicContact CG-CD1 4.45Å; F157-I162 HydrophobicContact CG-CG2 3.66Å; F157-I162 HydrophobicContact CZ-CD1 3.65Å; F157-I162 HydrophobicContact CZ-CG1 4.32Å
163	Y	95.4	Very high	94.2	Very high	100 Å²	100	65.3 Å²	65.3	39%	0.392	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	107.6	170	-67.4	-90.2	0	0	0	108.8	I89	I89-Y163 HydrophobicContact CB-CD1 4.1Å; I89-Y163 HydrophobicContact CB-CE1 4.48Å; I89-Y163 HydrophobicContact CD1-CD1 3.98Å; I89-Y163 HydrophobicContact CD1-CE1 3.53Å; I89-Y163 HydrophobicContact CG2-CD1 4.14Å; I89-Y163 HydrophobicContact CG2-CE1 4.39Å
164	A	96.5	Very high	93.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.			trans	-103.7	57.1	-178.1	0	0	0	0	0	110.6	I88 I89 F133 L134 I136	I88-A164 HydrophobicContact CG2-CB 3.65Å; I89-A164 CarbonylContact O-C 3.47Å; I89-A164 WeakPolarHBondContact O-CA 3.48Å; I89-A164 PolarHBondContact O-N 2.93Å; F133-A164 CarbonylContact C-O 3.56Å; F133-A164 WeakPolarHBondContact CA-O 3.41Å; F133-A164 HydrophobicContact CB-CB 4.14Å; L134-A164 PolarHBondContact N-O 3.43Å; L134-A164 CarbonylContact O-C 3.54Å; L134-A164 WeakPolarHBondContact O-CA 3.37Å; L134-A164 WeakPolarHBondContact O-CB 3.43Å; I136-A164 HydrophobicContact CG1-CB 3.98Å
165	N	93.9	Very high	93.6	Very high	74 Å²	74	64.4 Å²	64.4	40%	0.396	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-116.8	4.2	-174.9	64.8	-23.9	0	0	0	113.8
166	K	94	Very high	93.1	Very high	153 Å²	153	60.5 Å²	60.5	67%	0.665	30%	0.303	S	S	*	.	S	Bend	trans	-140.3	143.1	179.9	-64.7	-177.2	-178.1	179.8	0	110.6	L134	L134-K166 CarbonylContact C-O 3.57Å; L134-K166 VanDerWaalsContact CB-C 3.46Å; L134-K166 WeakPolarHBondContact CB-O 3.3Å; L134-K166 VanDerWaalsContact O-O 3.13Å
167	L	94.3	Very high	92.5	Very high	65 Å²	65	55 Å²	55	34%	0.34	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.6	170.8	-67.1	167.6	0	0	0	110.3	L134	L134-L167 HydrophobicContact CB-CD2 4.37Å; L134-L167 HydrophobicContact CD1-CD2 4.34Å; L134-L167 HydrophobicContact CD1-CG 4.2Å; L134-L167 HydrophobicContact CD2-CD2 4.03Å; L134-L167 HydrophobicContact CG-CD2 4.47Å
168	R	95.6	Very high	92.1	Very high	102 Å²	102	56.7 Å²	56.7	39%	0.385	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-94.5	161.9	178.9	-72.7	-79	-177.4	172.2	-0.1	110.8	Y197	R168-Y197 HydrophobicContact CB-CD1 4.17Å; R168-Y197 HydrophobicContact CB-CD2 3.64Å; R168-Y197 HydrophobicContact CB-CE2 4.27Å; R168-Y197 HydrophobicContact CB-CG 3.61Å; R168-Y197 HydrophobicContact CG-CD1 3.6Å; R168-Y197 HydrophobicContact CG-CD2 3.97Å; R168-Y197 HydrophobicContact CG-CE1 3.99Å; R168-Y197 HydrophobicContact CG-CE2 4.37Å; R168-Y197 HydrophobicContact CG-CG 3.59Å
169	P	97.3	Very high	92.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.026	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-54.9	149.4	-179.8	-24.6	34.5	0	0	0	113	R190 E192 N248	P169-R190 CarbonylContact C-O 3.52Å; P169-R190 VanDerWaalsContact CA-O 3.29Å; P169-R190 WeakPolarHBondContact CA-O 3.49Å; P169-R190 HydrophobicContact CB-CB 4.26Å; P169-R190 HydrophobicContact CG-CB 4.37Å; P169-E192 HydrophobicContact CB-CB 3.74Å; P169-E192 HydrophobicContact CB-CG 3.85Å; P169-E192 HydrophobicContact CG-CB 4.02Å; P169-E192 HydrophobicContact CG-CG 3.82Å; P169-E192 WeakPolarHBondContact CG-OE1 3.06Å; P169-N248 PolarHBondContact O-ND2 2.97Å
170	S	97.2	Very high	92.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-74.4	155.7	168.9	-52.7	0	0	0	0	109.9	Y187 R190 I191 E192 S228	S170-Y187 PolarHBondContact OG-OH 3.28Å; S170-R190 PolarHBondContact N-O 3.1Å; S170-I191 WeakPolarHBondContact O-CA 3.3Å; S170-E192 PolarHBondContact O-N 2.66Å; S170-E192 VanDerWaalsContact O-N 3.08Å; S170-S228 WeakPolarHBondContact OG-CB 3.46Å; S170-S228 PolarHBondContact OG-OG 3.27Å
171	C	97.7	Very high	92.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67.5	155	175.7	-63	0	0	0	0	111.9	Q173 C195 Y249 L251	C171-Q173 WeakPolarHBondContact O-CG 3.24Å; C171-Q173 PolarHBondContact O-N 3.47Å; C171-Q173 PolarHBondContact O-NE2 3.29Å; C171-C195 VanDerWaalsContact CA-CB 3.48Å; C171-C195 WeakPolarHBondContact CA-SG 3.4Å; C171-C195 HydrophobicContact CB-CB 3.81Å; C171-C195 WeakPolarHBondContact CB-SG 3.23Å; C171-C195 WeakPolarHBondContact SG-CB 3.3Å; C171-C195 CovalentContact SG-SG 2.03Å; C171-C195 PolarHBondContact SG-SG 3Å; C171-Y249 PolarHBondContact SG-O 3.04Å; C171-L251 HydrophobicContact CB-CD1 4.46Å; C171-L251 HydrophobicContact CB-CG 4.38Å
172	P	96.4	Very high	91.8	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.032	22%	0.217	C	C	.	.	S	Bend	trans	-56	127.1	179.2	-24	36.3	0	0	0	111.6	I191 E192 E193 L254 P371 V375	P172-I191 VanDerWaalsContact CA-CG2 3.49Å; P172-I191 HydrophobicContact CB-CG2 4.35Å; P172-E192 WeakPolarHBondContact CD-O 3.49Å; P172-E193 HydrophobicContact CG-CB 4.11Å; P172-E193 HydrophobicContact CG-CG 4.45Å; P172-L254 HydrophobicContact CB-CD1 3.63Å; P172-L254 HydrophobicContact CG-CD1 3.51Å; P172-P371 HydrophobicContact CB-CB 3.95Å; P172-P371 HydrophobicContact CG-CB 3.96Å; P172-V375 HydrophobicContact CB-CG2 4.14Å
173	Q	94.1	Very high	91	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.056	23%	0.225	C	C	.	.			trans	-161.2	155.5	-173.3	63.5	-168.9	-89.8	0	0	109.6	C171 V175 Q225 T226 G227 L251 V375	C171-Q173 WeakPolarHBondContact O-CG 3.24Å; C171-Q173 PolarHBondContact O-N 3.47Å; C171-Q173 PolarHBondContact O-NE2 3.29Å; Q173-V175 HydrophobicContact CG-CG1 4.16Å; Q173-V175 PolarHBondContact O-N 3.03Å; Q173-Q225 WeakPolarHBondContact CB-O 3.3Å; Q173-T226 HydrophobicContact CB-CG2 4.41Å; Q173-T226 VanDerWaalsContact OE1-CA 3.24Å; Q173-G227 PolarHBondContact NE2-O 3.21Å; Q173-L251 HydrophobicContact CB-CD1 4.38Å; Q173-V375 VanDerWaalsContact C-CG1 3.48Å
174	D	90.4	Very high	90.3	Very high	71 Å²	71	50.5 Å²	50.5	38%	0.38	24%	0.244	S	C	.	.			trans	-79.5	97.9	170.4	-179	-0.1	0	0	0	108.5	D176 A177 T226 V375	D174-D176 PolarHBondContact O-N 3.3Å; D174-D176 WeakPolarHBondContact OD1-CA 3.22Å; D174-D176 WeakPolarHBondContact OD1-CB 3.47Å; D174-D176 PolarHBondContact OD1-N 3.4Å; D174-A177 HydrophobicContact CB-CB 3.93Å; D174-A177 PolarHBondContact O-N 3.38Å; D174-A177 VanDerWaalsContact O-N 3.15Å; D174-A177 PolarHBondContact OD1-N 2.98Å; D174-A177 VanDerWaalsContact OD1-N 3.15Å; D174-A177 WeakPolarHBondContact OD2-CB 3.39Å; D174-T226 VanDerWaalsContact O-CG2 3.28Å; D174-T226 WeakPolarHBondContact O-CG2 3.49Å; D174-V375 HydrophobicContact CB-CG1 3.87Å; D174-V375 VanDerWaalsContact N-CG1 3.26Å
175	V	87.9	Confident	89.6	Confident	36 Å²	36	54.2 Å²	54.2	22%	0.218	26%	0.261	C	S	.	.	S	Bend	trans	-64.2	-25.5	177.2	-69.7	0	0	0	0	112.2	Q173 A177 R178 Y187 I191	Q173-V175 HydrophobicContact CG-CG1 4.16Å; Q173-V175 PolarHBondContact O-N 3.03Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-R178 WeakPolarHBondContact O-CB 3.49Å; V175-R178 PolarHBondContact O-N 3.44Å; V175-Y187 HydrophobicContact CB-CD1 4.41Å; V175-Y187 HydrophobicContact CB-CG 4.17Å; V175-Y187 HydrophobicContact CG1-CD1 3.5Å; V175-Y187 VanDerWaalsContact CG1-CD1 3.5Å; V175-Y187 HydrophobicContact CG1-CD2 4.13Å; V175-Y187 HydrophobicContact CG1-CE1 3.74Å; V175-Y187 HydrophobicContact CG1-CE2 4.37Å; V175-Y187 HydrophobicContact CG1-CG 3.69Å; V175-I191 HydrophobicContact CG1-CD1 3.33Å; V175-I191 HydrophobicContact CG1-CG1 4.36Å
176	D	83.5	Confident	89.2	Confident	93 Å²	93	55 Å²	55	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.6	177.5	-76.2	-41.5	0	0	0	111.5	D174 R178 R430	D174-D176 PolarHBondContact O-N 3.3Å; D174-D176 WeakPolarHBondContact OD1-CA 3.22Å; D174-D176 WeakPolarHBondContact OD1-CB 3.47Å; D174-D176 PolarHBondContact OD1-N 3.4Å; D176-R178 PolarHBondContact O-N 3.44Å; D176-R430 VanDerWaalsContact CA-CZ 3.47Å; D176-R430 VanDerWaalsContact CB-NH1 3.32Å; D176-R430 VanDerWaalsContact CG-NH1 3.27Å; D176-R430 PolarHBondContact O-NE 3.4Å; D176-R430 PolarHBondContact O-NH2 3Å; D176-R430 IonicContact OD1-CZ 3.73Å; D176-R430 IonicContact OD1-NH1 3.29Å; D176-R430 PolarHBondContact OD1-NH1 2.81Å; D176-R430 IonicContact OD1-NH2 3Å; D176-R430 PolarHBondContact OD1-NH2 3.39Å; D176-R430 VanDerWaalsContact OD1-NH2 3.12Å
177	A	81.6	Confident	88.8	Confident	16 Å²	16	50.8 Å²	50.8	13%	0.132	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.1	171.1	0	0	0	0	0	113.7	D174 V175 P179 R382	D174-A177 HydrophobicContact CB-CB 3.93Å; D174-A177 PolarHBondContact O-N 3.38Å; D174-A177 VanDerWaalsContact O-N 3.15Å; D174-A177 PolarHBondContact OD1-N 2.98Å; D174-A177 VanDerWaalsContact OD1-N 3.15Å; D174-A177 WeakPolarHBondContact OD2-CB 3.39Å; V175-A177 VanDerWaalsContact C-N 3.3Å; A177-P179 WeakPolarHBondContact O-CD 3.45Å; A177-R382 PolarHBondContact O-NH1 2.85Å; A177-R382 PolarHBondContact O-NH2 2.86Å
178	R	86.5	Confident	88.3	Confident	42 Å²	42	50.7 Å²	50.7	16%	0.158	25%	0.249	C	C	.	.	S	Bend	trans	-61.9	128.1	-175.3	-171.8	174.3	174.3	164.7	-7.3	112.1	V175 D176 T180 D231	V175-R178 WeakPolarHBondContact O-CB 3.49Å; V175-R178 PolarHBondContact O-N 3.44Å; D176-R178 PolarHBondContact O-N 3.44Å; R178-T180 PolarHBondContact O-N 2.86Å; R178-D231 IonicContact CZ-OD1 3Å; R178-D231 IonicContact CZ-OD2 3.32Å; R178-D231 IonicContact NH1-OD1 3.77Å; R178-D231 PolarHBondContact NH1-OD1 3.44Å; R178-D231 IonicContact NH1-OD2 3.35Å; R178-D231 PolarHBondContact NH1-OD2 3.1Å; R178-D231 IonicContact NH2-OD1 2.77Å; R178-D231 PolarHBondContact NH2-OD1 3.37Å; R178-D231 IonicContact NH2-OD2 3.02Å; R178-D231 PolarHBondContact NH2-OD2 3.34Å
179	P	87.9	Confident	88	Confident	17 Å²	17	47.9 Å²	47.9	11%	0.11	24%	0.24	C	C	.	.			trans	-66.5	113.4	172.8	-16.5	30.5	0	0	0	110.2	A177 E424 L427	A177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-E424 HydrophobicContact CB-CG 3.81Å; P179-E424 HydrophobicContact CG-CG 3.89Å; P179-L427 HydrophobicContact CB-CB 3.95Å
180	T	87.7	Confident	87.8	Confident	30 Å²	30	55.4 Å²	55.4	18%	0.184	27%	0.268	C	S	.	.			trans	-157.7	149.1	-179.2	-178.1	0	0	0	0	111.9	R178 W182 F183	R178-T180 PolarHBondContact O-N 2.86Å; T180-W182 VanDerWaalsContact C-N 3.33Å; T180-W182 PolarHBondContact OG1-N 2.84Å; T180-F183 HydrophobicContact CG2-CB 4.16Å
181	L	87.5	Confident	87.7	Confident	36 Å²	36	58.3 Å²	58.3	19%	0.188	28%	0.282	C	S	.	.	S	Bend	trans	-73.6	-27.4	167.4	-75.6	176.9	0	0	0	112.5	F183 L427 F437 L535 P536 W538 M539	L181-F183 VanDerWaalsContact C-N 3.27Å; L181-F183 WeakPolarHBondContact O-CD1 3.37Å; L181-F183 PolarHBondContact O-N 3.44Å; L181-L427 HydrophobicContact CD2-CD2 3.58Å; L181-L427 HydrophobicContact CG-CD2 4.03Å; L181-F437 HydrophobicContact CD2-CE2 4.07Å; L181-L535 HydrophobicContact CD1-CD2 3.9Å; L181-P536 HydrophobicContact CD1-CG 4.02Å; L181-P536 HydrophobicContact CD2-CG 4.35Å; L181-W538 HydrophobicContact CD2-CZ2 4.48Å; L181-M539 HydrophobicContact CD1-CE 4.25Å; L181-M539 HydrophobicContact CD1-SD 3.54Å; L181-M539 VanDerWaalsContact CD1-SD 3.54Å; L181-M539 HydrophobicContact CD2-SD 3.98Å; L181-M539 HydrophobicContact CG-CE 4.48Å; L181-M539 HydrophobicContact CG-SD 3.92Å
182	W	86.3	Confident	87.7	Confident	63 Å²	63	62 Å²	62	24%	0.239	30%	0.3	C	S	.	.			trans	-95.2	44.5	-174.5	-54.5	-82	0	0	0	111.2	T180 E184 E185 F534 L535 H564 L565	T180-W182 VanDerWaalsContact C-N 3.33Å; T180-W182 PolarHBondContact OG1-N 2.84Å; W182-E184 PolarHBondContact O-N 3.37Å; W182-E185 HydrophobicContact CB-CB 4.45Å; W182-E185 HydrophobicContact CB-CG 4.36Å; W182-E185 PolarHBondContact O-N 3.07Å; W182-E185 VanDerWaalsContact O-N 3.11Å; W182-F534 AromaticContact CH2-CE2 3.82Å; W182-F534 HydrophobicContact CH2-CE2 3.82Å; W182-F534 HydrophobicContact CH2-CZ 4.29Å; W182-F534 AromaticContact CZ2-CE2 4Å; W182-F534 HydrophobicContact CZ2-CE2 4Å; W182-L535 HydrophobicContact CH2-CD2 4.43Å; W182-H564 HydrophobicContact CB-CB 4.26Å; W182-H564 HydrophobicContact CD2-CB 3.93Å; W182-H564 AromaticContact CD2-CD2 3.36Å; W182-H564 AromaticContact CD2-CG 3.83Å; W182-H564 AromaticContact CE2-CD2 3.67Å; W182-H564 AromaticContact CE3-CD2 3.32Å; W182-H564 AromaticContact CE3-NE2 3.73Å; W182-H564 HydrophobicContact CG-CB 3.67Å; W182-H564 AromaticContact CG-CD2 3.96Å; W182-H564 AromaticContact CG-CG 3.93Å; W182-H564 AromaticContact CH2-CD2 3.93Å; W182-H564 AromaticContact CZ2-CD2 3.96Å; W182-H564 AromaticContact CZ3-CD2 3.61Å; W182-H564 AromaticContact CZ3-NE2 3.91Å; W182-L565 HydrophobicContact CH2-CD2 3.86Å; W182-L565 HydrophobicContact CZ2-CD2 3.86Å
183	F	78.6	Confident	87.7	Confident	71 Å²	71	63.1 Å²	63.1	31%	0.311	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18	-175.6	64.6	-88.1	0	0	0	113.6	T180 L181 A433	T180-F183 HydrophobicContact CG2-CB 4.16Å; L181-F183 VanDerWaalsContact C-N 3.27Å; L181-F183 WeakPolarHBondContact O-CD1 3.37Å; L181-F183 PolarHBondContact O-N 3.44Å; F183-A433 HydrophobicContact CD1-CB 4.15Å; F183-A433 HydrophobicContact CE1-CB 3.53Å; F183-A433 HydrophobicContact CE2-CB 4.25Å; F183-A433 HydrophobicContact CZ-CB 3.6Å
184	E	81.6	Confident	87.9	Confident	168 Å²	168	63.9 Å²	63.9	79%	0.785	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.8	175.5	-58	-174.9	161.3	0	0	112.6	W182	W182-E184 PolarHBondContact O-N 3.37Å
185	E	82.7	Confident	88.2	Confident	78 Å²	78	60.5 Å²	60.5	36%	0.364	29%	0.291	S	S	.	.	S	Bend	trans	-83.1	137.9	178.5	-68.1	-166.6	-160	0	0	111.2	W182 Y187 H564	W182-E185 HydrophobicContact CB-CB 4.45Å; W182-E185 HydrophobicContact CB-CG 4.36Å; W182-E185 PolarHBondContact O-N 3.07Å; W182-E185 VanDerWaalsContact O-N 3.11Å; E185-Y187 PolarHBondContact O-N 2.93Å; E185-H564 WeakPolarHBondContact OE1-CB 3.4Å; E185-H564 WeakPolarHBondContact OE2-CB 3.43Å; E185-H564 PolarHBondContact OE2-N 3.33Å; E185-H564 IonicContact OE2-ND1 3.94Å
186	P	84.9	Confident	88.7	Confident	92 Å²	92	59 Å²	59	60%	0.597	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-66.3	138.9	178.6	28.1	-34.3	0	0	0	110.6	E188	P186-E188 PolarHBondContact O-N 2.97Å
187	Y	85.3	Confident	89.4	Confident	64 Å²	64	55.2 Å²	55.2	25%	0.251	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-56	126.2	175.1	-172.8	-118.3	0	0	0	111.1	S170 V175 E185 H189 I191	S170-Y187 PolarHBondContact OG-OH 3.28Å; V175-Y187 HydrophobicContact CB-CD1 4.41Å; V175-Y187 HydrophobicContact CB-CG 4.17Å; V175-Y187 HydrophobicContact CG1-CD1 3.5Å; V175-Y187 VanDerWaalsContact CG1-CD1 3.5Å; V175-Y187 HydrophobicContact CG1-CD2 4.13Å; V175-Y187 HydrophobicContact CG1-CE1 3.74Å; V175-Y187 HydrophobicContact CG1-CE2 4.37Å; V175-Y187 HydrophobicContact CG1-CG 3.69Å; E185-Y187 PolarHBondContact O-N 2.93Å; Y187-H189 VanDerWaalsContact C-N 3.34Å; Y187-H189 HydrophobicContact CD1-CB 4.31Å; Y187-H189 WeakPolarHBondContact CD1-O 3.32Å; Y187-H189 HydrophobicContact CE1-CB 3.62Å; Y187-H189 WeakPolarHBondContact CE1-O 3.5Å; Y187-H189 AromaticContact CZ-CD2 3.81Å; Y187-H189 PolarHBondContact O-N 3.49Å; Y187-I191 HydrophobicContact CD1-CD1 4.27Å; Y187-I191 HydrophobicContact CD1-CG1 4.26Å; Y187-I191 HydrophobicContact CE1-CD1 4.23Å; Y187-I191 HydrophobicContact CE1-CG1 3.91Å
188	E	84.7	Confident	90.3	Very high	63 Å²	63	54.5 Å²	54.5	29%	0.294	25%	0.254	S	S	.	.			trans	-78.5	-19.1	-169.6	-67	-173.3	-161.6	0	0	113.9	P186 R563 H564	P186-E188 PolarHBondContact O-N 2.97Å; E188-R563 HydrophobicContact CG-CG 4.48Å; E188-R563 WeakPolarHBondContact OE1-CA 3.4Å; E188-R563 WeakPolarHBondContact OE1-CB 2.97Å; E188-R563 VanDerWaalsContact OE1-CG 3.27Å; E188-R563 WeakPolarHBondContact OE1-CG 3.3Å; E188-R563 PolarHBondContact OE1-N 3.46Å; E188-H564 IonicContact OE1-ND1 3.53Å
189	H	88.7	Confident	90.8	Very high	42 Å²	42	52.6 Å²	52.6	19%	0.194	25%	0.247	C	C	.	.	S	Bend	trans	-105.1	144.7	-171.7	-50.9	-51.6	0	0	0	111.4	Y187 D231	Y187-H189 VanDerWaalsContact C-N 3.34Å; Y187-H189 HydrophobicContact CD1-CB 4.31Å; Y187-H189 WeakPolarHBondContact CD1-O 3.32Å; Y187-H189 HydrophobicContact CE1-CB 3.62Å; Y187-H189 WeakPolarHBondContact CE1-O 3.5Å; Y187-H189 AromaticContact CZ-CD2 3.81Å; Y187-H189 PolarHBondContact O-N 3.49Å; H189-D231 IonicContact NE2-OD1 2.7Å
190	R	93.4	Very high	91.3	Very high	162 Å²	162	51.8 Å²	51.8	61%	0.611	24%	0.242	S	C	*	.			trans	-70.1	153.8	169.6	-64.4	-171.4	-63.3	159.5	4.8	110.1	P169 S170 E192	P169-R190 CarbonylContact C-O 3.52Å; P169-R190 VanDerWaalsContact CA-O 3.29Å; P169-R190 WeakPolarHBondContact CA-O 3.49Å; P169-R190 HydrophobicContact CB-CB 4.26Å; P169-R190 HydrophobicContact CG-CB 4.37Å; S170-R190 PolarHBondContact N-O 3.1Å; R190-E192 IonicContact CZ-OE1 3.64Å; R190-E192 IonicContact NH1-OE1 3.86Å
191	I	95.3	Very high	91.9	Very high	61 Å²	61	50.4 Å²	50.4	31%	0.313	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-122	123.7	178.5	-56.9	172.4	0	0	0	108.3	S170 P172 V175 Y187	S170-I191 WeakPolarHBondContact O-CA 3.3Å; P172-I191 VanDerWaalsContact CA-CG2 3.49Å; P172-I191 HydrophobicContact CB-CG2 4.35Å; V175-I191 HydrophobicContact CG1-CD1 3.33Å; V175-I191 HydrophobicContact CG1-CG1 4.36Å; Y187-I191 HydrophobicContact CD1-CD1 4.27Å; Y187-I191 HydrophobicContact CD1-CG1 4.26Å; Y187-I191 HydrophobicContact CE1-CD1 4.23Å; Y187-I191 HydrophobicContact CE1-CG1 3.91Å
192	E	96.6	Very high	92.4	Very high	81 Å²	81	48.7 Å²	48.7	38%	0.379	23%	0.225	S	C	.	.			trans	-145.6	151.8	177.9	-63.8	-178.7	-143.8	0	0	109.6	P169 S170 P172 R190 D194 C195	P169-E192 HydrophobicContact CB-CB 3.74Å; P169-E192 HydrophobicContact CB-CG 3.85Å; P169-E192 HydrophobicContact CG-CB 4.02Å; P169-E192 HydrophobicContact CG-CG 3.82Å; P169-E192 WeakPolarHBondContact CG-OE1 3.06Å; S170-E192 PolarHBondContact O-N 2.66Å; S170-E192 VanDerWaalsContact O-N 3.08Å; P172-E192 WeakPolarHBondContact CD-O 3.49Å; R190-E192 IonicContact CZ-OE1 3.64Å; R190-E192 IonicContact NH1-OE1 3.86Å; E192-D194 VanDerWaalsContact C-N 3.29Å; E192-D194 PolarHBondContact O-N 2.92Å; E192-C195 WeakPolarHBondContact O-CB 3.49Å
193	E	97.2	Very high	92.8	Very high	28 Å²	28	46 Å²	46	13%	0.131	22%	0.215	C	C	.	.	S	Bend	trans	-68.7	-30.6	176	-165.8	-175.7	160.5	0	0	112.2	P142 I143 R147 P172 C195 L254 P371	P142-E193 VanDerWaalsContact O-OE1 3.11Å; I143-E193 HydrophobicContact CG2-CB 3.95Å; I143-E193 HydrophobicContact CG2-CG 3.83Å; R147-E193 WeakPolarHBondContact CG-OE1 3.3Å; R147-E193 IonicContact CZ-OE1 2.68Å; R147-E193 IonicContact CZ-OE2 2.84Å; R147-E193 IonicContact NE-OE1 3.84Å; R147-E193 PolarHBondContact NE-OE1 3.29Å; R147-E193 IonicContact NE-OE2 2.71Å; R147-E193 IonicContact NH2-OE1 3.31Å; R147-E193 PolarHBondContact NH2-OE1 3.32Å; R147-E193 IonicContact NH2-OE2 3.62Å; R147-E193 PolarHBondContact NH2-OE2 3.5Å; P172-E193 HydrophobicContact CG-CB 4.11Å; P172-E193 HydrophobicContact CG-CG 4.45Å; E193-C195 VanDerWaalsContact C-N 3.31Å; E193-C195 PolarHBondContact O-N 3.49Å; E193-L254 HydrophobicContact CG-CD1 4.41Å; E193-P371 HydrophobicContact CB-CG 4.12Å; E193-P371 HydrophobicContact CG-CG 4.28Å; E193-P371 WeakPolarHBondContact OE2-CG 3.18Å
194	D	97.3	Very high	93.5	Very high	28 Å²	28	45 Å²	45	15%	0.15	21%	0.211	C	C	.	.			trans	-75.2	85.4	165.8	-177.6	19	0	0	0	109.8	K141 E192 Y197	K141-D194 WeakPolarHBondContact CD-OD2 3.31Å; K141-D194 WeakPolarHBondContact CE-OD2 3.39Å; K141-D194 HydrophobicContact CG-CB 4.47Å; K141-D194 WeakPolarHBondContact CG-OD1 3.49Å; E192-D194 VanDerWaalsContact C-N 3.29Å; E192-D194 PolarHBondContact O-N 2.92Å; D194-Y197 WeakPolarHBondContact O-CE2 3.29Å; D194-Y197 WeakPolarHBondContact OD1-CE2 3.28Å; D194-Y197 PolarHBondContact OD1-OH 3.38Å; D194-Y197 PolarHBondContact OD2-OH 3.49Å
195	C	97.9	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.			trans	-127.2	1.5	-174.4	66.5	0	0	0	0	115	C171 E192 E193 Y197 N248	C171-C195 VanDerWaalsContact CA-CB 3.48Å; C171-C195 WeakPolarHBondContact CA-SG 3.4Å; C171-C195 HydrophobicContact CB-CB 3.81Å; C171-C195 WeakPolarHBondContact CB-SG 3.23Å; C171-C195 WeakPolarHBondContact SG-CB 3.3Å; C171-C195 CovalentContact SG-SG 2.03Å; C171-C195 PolarHBondContact SG-SG 3Å; E192-C195 WeakPolarHBondContact O-CB 3.49Å; E193-C195 VanDerWaalsContact C-N 3.31Å; E193-C195 PolarHBondContact O-N 3.49Å; C195-Y197 VanDerWaalsContact C-CD2 3.46Å; C195-Y197 PolarHBondContact O-N 2.99Å; C195-N248 WeakPolarHBondContact O-CB 3.45Å; C195-N248 PolarHBondContact O-ND2 3.27Å
196	L	98.4	Very high	93.6	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.176	C	C	.	.			trans	-78.8	68.9	-175.3	-57.5	-173.2	0	0	0	112.7	Y138 A139 P142 P151 R250 D271	Y138-L196 WeakPolarHBondContact CD1-O 3.45Å; Y138-L196 HydrophobicContact CE1-CB 4.05Å; Y138-L196 WeakPolarHBondContact CE1-O 3.33Å; Y138-L196 HydrophobicContact CE2-CB 4.1Å; Y138-L196 PolarHBondContact N-O 3.32Å; Y138-L196 WeakPolarHBondContact OH-CD2 3.29Å; A139-L196 HydrophobicContact CB-CB 4.08Å; A139-L196 HydrophobicContact CB-CD1 3.68Å; P142-L196 HydrophobicContact CB-CD1 3.88Å; P142-L196 HydrophobicContact CB-CG 4.48Å; P142-L196 HydrophobicContact CG-CD1 3.64Å; P142-L196 HydrophobicContact CG-CD2 4.41Å; P142-L196 HydrophobicContact CG-CG 3.71Å; P151-L196 HydrophobicContact CB-CD1 4.43Å; L196-R250 HydrophobicContact CD2-CG 4.18Å; L196-D271 HydrophobicContact CD2-CB 4.33Å; L196-D271 WeakPolarHBondContact CD2-OD2 3.29Å
197	Y	98.4	Very high	92.7	Very high	15 Å²	15	41.6 Å²	41.6	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.2	180	-60.7	-91.5	0	0	0	111.1	G135 I136 P137 R168 D194 C195 N248	G135-Y197 WeakPolarHBondContact O-CD1 3.48Å; I136-Y197 CarbonylContact O-C 3.11Å; I136-Y197 WeakPolarHBondContact O-CA 3.34Å; P137-Y197 HydrophobicContact CB-CD1 3.9Å; P137-Y197 HydrophobicContact CB-CE1 3.75Å; P137-Y197 HydrophobicContact CG-CE1 4.38Å; R168-Y197 HydrophobicContact CB-CD1 4.17Å; R168-Y197 HydrophobicContact CB-CD2 3.64Å; R168-Y197 HydrophobicContact CB-CE2 4.27Å; R168-Y197 HydrophobicContact CB-CG 3.61Å; R168-Y197 HydrophobicContact CG-CD1 3.6Å; R168-Y197 HydrophobicContact CG-CD2 3.97Å; R168-Y197 HydrophobicContact CG-CE1 3.99Å; R168-Y197 HydrophobicContact CG-CE2 4.37Å; R168-Y197 HydrophobicContact CG-CG 3.59Å; D194-Y197 WeakPolarHBondContact O-CE2 3.29Å; D194-Y197 WeakPolarHBondContact OD1-CE2 3.28Å; D194-Y197 PolarHBondContact OD1-OH 3.38Å; D194-Y197 PolarHBondContact OD2-OH 3.49Å; C195-Y197 VanDerWaalsContact C-CD2 3.46Å; C195-Y197 PolarHBondContact O-N 2.99Å; Y197-N248 PolarHBondContact O-N 2.97Å; Y197-N248 VanDerWaalsContact O-N 3.07Å
198	L	98.6	Very high	92.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.9	172.5	64.5	79.8	0	0	0	111.1	G135 I136 Y138 V200 V245 T246 A247 V275 W278	G135-L198 PolarHBondContact N-O 2.9Å; I136-L198 HydrophobicContact CB-CD1 3.9Å; I136-L198 HydrophobicContact CB-CG 4.36Å; I136-L198 HydrophobicContact CD1-CD1 4.03Å; I136-L198 HydrophobicContact CG1-CD1 4.49Å; I136-L198 HydrophobicContact CG2-CD1 4.39Å; I136-L198 PolarHBondContact N-O 2.87Å; I136-L198 PolarHBondContact O-N 3.44Å; Y138-L198 HydrophobicContact CD1-CB 4.02Å; Y138-L198 HydrophobicContact CD1-CD2 3.99Å; Y138-L198 HydrophobicContact CD1-CG 4.12Å; Y138-L198 HydrophobicContact CG-CD2 4.14Å; L198-V200 HydrophobicContact CD1-CG2 3.65Å; L198-V245 HydrophobicContact CB-CG1 4.47Å; L198-V245 HydrophobicContact CD1-CG1 4.43Å; L198-T246 CarbonylContact C-O 3.57Å; L198-T246 VanDerWaalsContact CA-O 3.24Å; L198-T246 WeakPolarHBondContact CA-O 3.38Å; L198-T246 WeakPolarHBondContact CB-O 3.47Å; L198-A247 HydrophobicContact CB-CB 3.78Å; L198-V275 HydrophobicContact CD2-CG1 4.25Å; L198-W278 HydrophobicContact CD1-CE3 4.28Å; L198-W278 HydrophobicContact CD1-CH2 3.92Å; L198-W278 HydrophobicContact CD1-CZ2 4.26Å; L198-W278 HydrophobicContact CD1-CZ3 3.92Å; L198-W278 HydrophobicContact CD2-CD2 3.68Å; L198-W278 HydrophobicContact CD2-CE3 3.64Å; L198-W278 HydrophobicContact CD2-CG 4.07Å; L198-W278 HydrophobicContact CD2-CZ3 4.13Å
199	N	98.7	Very high	91.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.9	175.1	-44	-63	0	0	0	109	F133 L134 G135 Y201 S229 V245 T246	F133-N199 CarbonylContact O-C 3.37Å; F133-N199 WeakPolarHBondContact O-CA 3.3Å; L134-N199 WeakPolarHBondContact CA-OD1 3.38Å; L134-N199 HydrophobicContact CD2-CB 3.95Å; G135-N199 PolarHBondContact N-OD1 3.39Å; N199-Y201 HydrophobicContact CB-CE2 3.78Å; N199-S229 PolarHBondContact ND2-OG 3.05Å; N199-V245 VanDerWaalsContact O-CA 3.29Å; N199-V245 WeakPolarHBondContact O-CA 3.39Å; N199-T246 WeakPolarHBondContact CB-OG1 3.44Å; N199-T246 PolarHBondContact N-O 2.97Å; N199-T246 PolarHBondContact ND2-OG1 3.42Å; N199-T246 PolarHBondContact O-N 2.96Å
200	V	98.6	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.7	176.4	-176.5	0	0	0	0	109.3	F133 I136 L198 V243 V244 V245 W278 I283 F286	F133-V200 HydrophobicContact CB-CB 4.36Å; F133-V200 HydrophobicContact CD2-CB 4.47Å; F133-V200 PolarHBondContact N-O 3.31Å; F133-V200 PolarHBondContact O-N 2.78Å; I136-V200 HydrophobicContact CD1-CG2 4.02Å; L198-V200 HydrophobicContact CD1-CG2 3.65Å; V200-V243 HydrophobicContact CG1-CG1 3.82Å; V200-V244 WeakPolarHBondContact CA-O 3.3Å; V200-V245 HydrophobicContact CG2-CG2 4.34Å; V200-W278 HydrophobicContact CG2-CH2 3.97Å; V200-W278 HydrophobicContact CG2-CZ3 4.07Å; V200-I283 HydrophobicContact CG1-CD1 4.21Å; V200-F286 HydrophobicContact CB-CD1 4.29Å; V200-F286 HydrophobicContact CB-CE1 4.35Å; V200-F286 HydrophobicContact CG1-CB 4.06Å; V200-F286 HydrophobicContact CG1-CD1 3.76Å; V200-F286 HydrophobicContact CG1-CD2 4.5Å; V200-F286 HydrophobicContact CG1-CE1 4.31Å; V200-F286 HydrophobicContact CG1-CG 3.86Å
201	Y	98.6	Very high	90.9	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.1	173.3	-50.2	-95.7	0	0	0	107.5	V132 L134 N199 H235 V243 V244 T246	V132-Y201 HydrophobicContact CB-CD1 4.42Å; V132-Y201 HydrophobicContact CG1-CD1 3.68Å; V132-Y201 HydrophobicContact CG1-CE1 3.62Å; V132-Y201 HydrophobicContact CG2-CD1 4.09Å; L134-Y201 HydrophobicContact CD2-CE1 3.75Å; L134-Y201 WeakPolarHBondContact CD2-OH 3.44Å; N199-Y201 HydrophobicContact CB-CE2 3.78Å; Y201-H235 AromaticContact CD1-CD2 4Å; Y201-H235 AromaticContact CE1-CD2 3.91Å; Y201-H235 AromaticContact CE1-CE1 3.53Å; Y201-H235 AromaticContact CE1-CG 3.96Å; Y201-H235 AromaticContact CE1-ND1 3.74Å; Y201-H235 AromaticContact CE1-NE2 3.61Å; Y201-V243 CarbonylContact O-C 3.52Å; Y201-V243 WeakPolarHBondContact O-CA 3.31Å; Y201-V244 HydrophobicContact CD2-CB 4.19Å; Y201-V244 HydrophobicContact CD2-CG1 4.43Å; Y201-V244 WeakPolarHBondContact CD2-O 3.36Å; Y201-V244 PolarHBondContact N-O 2.96Å; Y201-V244 PolarHBondContact O-N 3.45Å; Y201-T246 HydrophobicContact CE2-CG2 4.31Å
202	T	97.8	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.9	-175.8	179.5	0	0	0	0	111.8	F131 F133 Q204 V205 F286	F131-T202 HydrophobicContact CB-CG2 3.97Å; F131-T202 PolarHBondContact N-O 3.36Å; F131-T202 PolarHBondContact O-N 3.26Å; F133-T202 HydrophobicContact CE2-CG2 4.19Å; T202-Q204 VanDerWaalsContact C-N 3.28Å; T202-Q204 WeakPolarHBondContact CG2-O 3.2Å; T202-Q204 PolarHBondContact O-N 2.9Å; T202-Q204 PolarHBondContact OG1-N 3.29Å; T202-Q204 PolarHBondContact OG1-O 2.79Å; T202-V205 HydrophobicContact CG2-CG1 3.45Å; T202-V205 VanDerWaalsContact CG2-CG1 3.45Å; T202-F286 HydrophobicContact CG2-CB 4.21Å; T202-F286 PolarHBondContact OG1-O 2.91Å
203	P	95.7	Very high	90.8	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.045	22%	0.218	C	C	.	.	S	Bend	trans	-71.2	-19.4	174.3	29.5	-37.7	0	0	0	113.6	P102 Y213 V242	P102-P203 HydrophobicContact CB-CB 3.62Å; P102-P203 HydrophobicContact CB-CG 4.42Å; P102-P203 HydrophobicContact CG-CB 3.73Å; P203-Y213 HydrophobicContact CB-CE1 4.42Å; P203-Y213 HydrophobicContact CB-CE2 4.49Å; P203-Y213 HydrophobicContact CG-CD1 3.79Å; P203-Y213 HydrophobicContact CG-CD2 3.67Å; P203-Y213 HydrophobicContact CG-CE1 3.71Å; P203-Y213 HydrophobicContact CG-CE2 3.64Å; P203-Y213 HydrophobicContact CG-CG 3.73Å; P203-V242 WeakPolarHBondContact CD-O 3.37Å
204	Q	92.3	Very high	90.8	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.229	21%	0.214	C	C	.	.			trans	-152.3	147.9	-174.6	-173.7	54.9	-96.5	0	0	112	T202 S206 V209 Y213 F286 N287	T202-Q204 VanDerWaalsContact C-N 3.28Å; T202-Q204 WeakPolarHBondContact CG2-O 3.2Å; T202-Q204 PolarHBondContact O-N 2.9Å; T202-Q204 PolarHBondContact OG1-N 3.29Å; T202-Q204 PolarHBondContact OG1-O 2.79Å; Q204-S206 VanDerWaalsContact OE1-N 3.1Å; Q204-V209 HydrophobicContact CG-CB 4.05Å; Q204-V209 HydrophobicContact CG-CG1 4.15Å; Q204-V209 HydrophobicContact CG-CG2 4.05Å; Q204-Y213 HydrophobicContact CB-CE2 3.77Å; Q204-F286 CarbonylContact O-C 3.53Å; Q204-N287 HydrophobicContact CB-CB 4.31Å; Q204-N287 WeakPolarHBondContact O-CB 3.08Å; Q204-N287 PolarHBondContact O-OD1 3.11Å
205	V	86.8	Confident	90.9	Very high	23 Å²	23	38.3 Å²	38.3	14%	0.139	21%	0.207	C	C	.	.			trans	-135.8	14.5	178.5	-68.8	0	0	0	0	113.3	V79 V81 F131 F133 T202 N287	V79-V205 HydrophobicContact CG2-CB 4.42Å; V79-V205 HydrophobicContact CG2-CG2 3.37Å; V81-V205 HydrophobicContact CG2-CB 4.12Å; V81-V205 HydrophobicContact CG2-CG1 4.11Å; F131-V205 HydrophobicContact CB-CG1 3.76Å; F131-V205 HydrophobicContact CB-CG2 4.2Å; F131-V205 HydrophobicContact CD1-CG2 3.58Å; F131-V205 HydrophobicContact CD2-CB 4.48Å; F131-V205 HydrophobicContact CD2-CG1 4.16Å; F131-V205 HydrophobicContact CD2-CG2 3.76Å; F131-V205 HydrophobicContact CE1-CG2 3.76Å; F131-V205 HydrophobicContact CE2-CG2 3.96Å; F131-V205 HydrophobicContact CG-CB 4.4Å; F131-V205 HydrophobicContact CG-CG1 3.96Å; F131-V205 HydrophobicContact CG-CG2 3.55Å; F131-V205 HydrophobicContact CZ-CG2 3.94Å; F133-V205 HydrophobicContact CE2-CG1 3.79Å; F133-V205 HydrophobicContact CZ-CG1 3.93Å; T202-V205 HydrophobicContact CG2-CG1 3.45Å; T202-V205 VanDerWaalsContact CG2-CG1 3.45Å; V205-N287 VanDerWaalsContact C-OD1 3.28Å; V205-N287 VanDerWaalsContact CA-OD1 3.28Å; V205-N287 WeakPolarHBondContact CA-OD1 3.1Å
206	S	79.6	Confident	90.9	Very high	39 Å²	39	38.5 Å²	38.5	27%	0.273	21%	0.208	S	C	.	.			trans	-91.3	125.9	179.3	-174.4	0	0	0	0	112.7	Q204 S208 V209 N287	Q204-S206 VanDerWaalsContact OE1-N 3.1Å; S206-S208 PolarHBondContact O-N 3.12Å; S206-S208 PolarHBondContact OG-N 2.91Å; S206-S208 VanDerWaalsContact OG-N 3.14Å; S206-S208 PolarHBondContact OG-OG 3.02Å; S206-V209 PolarHBondContact O-N 3.42Å; S206-V209 VanDerWaalsContact O-N 3.16Å; S206-N287 PolarHBondContact N-OD1 2.79Å; S206-N287 PolarHBondContact O-ND2 3.43Å; S206-N287 VanDerWaalsContact O-ND2 3.15Å; S206-N287 PolarHBondContact O-OD1 3.12Å
207	R	67.6	Low	91	Very high	205 Å²	205	38.3 Å²	38.3	77%	0.774	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	168.3	-68.8	-172.9	-179.6	180	1	113.5	T82 V209	T82-R207 PolarHBondContact O-NH2 3Å; R207-V209 VanDerWaalsContact C-N 3.27Å
208	S	72	Confident	91	Very high	107 Å²	107	37.7 Å²	37.7	75%	0.748	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.3	176.3	66.8	0	0	0	0	113.1	S206	S206-S208 PolarHBondContact O-N 3.12Å; S206-S208 PolarHBondContact OG-N 2.91Å; S206-S208 VanDerWaalsContact OG-N 3.14Å; S206-S208 PolarHBondContact OG-OG 3.02Å
209	V	75.4	Confident	91	Very high	47 Å²	47	37.7 Å²	37.7	29%	0.285	21%	0.205	S	C	.	.			trans	-90.3	120.6	178.5	177.1	0	0	0	0	108.6	Q204 S206 R207 T211 N287	Q204-V209 HydrophobicContact CG-CB 4.05Å; Q204-V209 HydrophobicContact CG-CG1 4.15Å; Q204-V209 HydrophobicContact CG-CG2 4.05Å; S206-V209 PolarHBondContact O-N 3.42Å; S206-V209 VanDerWaalsContact O-N 3.16Å; R207-V209 VanDerWaalsContact C-N 3.27Å; V209-T211 VanDerWaalsContact C-N 3.29Å; V209-T211 PolarHBondContact O-N 3.47Å; V209-N287 PolarHBondContact O-ND2 3.32Å
210	S	79.6	Confident	91	Very high	120 Å²	120	37.7 Å²	37.7	84%	0.839	21%	0.205	S	C	*	.			trans	-74.8	-18.3	178.8	55.1	0	0	0	0	113.4	K212	S210-K212 PolarHBondContact O-N 3.29Å
211	T	86.7	Confident	90.8	Very high	60 Å²	60	38 Å²	38	37%	0.368	21%	0.208	S	C	.	.			trans	-65.2	122.8	179.2	-49.5	0	0	0	0	110.7	V209 Y213 N287	V209-T211 VanDerWaalsContact C-N 3.29Å; V209-T211 PolarHBondContact O-N 3.47Å; T211-Y213 HydrophobicContact CG2-CE1 4.12Å; T211-Y213 HydrophobicContact CG2-CE2 4.17Å; T211-N287 PolarHBondContact O-ND2 3.29Å
212	K	93.3	Very high	90.5	Very high	105 Å²	105	38.7 Å²	38.7	46%	0.457	22%	0.215	S	C	.	.			trans	-106.5	136.9	168.5	-60.3	-177.9	176.5	-177.6	0	109.6	S210 N287 D289	S210-K212 PolarHBondContact O-N 3.29Å; K212-N287 CarbonylContact C-O 3.58Å; K212-N287 WeakPolarHBondContact CA-O 3.38Å; K212-D289 HydrophobicContact CB-CB 3.85Å; K212-D289 HydrophobicContact CD-CB 4.44Å
213	Y	96.5	Very high	90.3	Very high	13 Å²	13	39.3 Å²	39.3	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.3	-176.3	-63.5	-83.5	0	0	0	111.2	P102 D103 P203 Q204 T211 G241 N287 G288 D289	P102-Y213 HydrophobicContact CB-CE1 4.37Å; D103-Y213 PolarHBondContact OD1-OH 2.85Å; P203-Y213 HydrophobicContact CB-CE1 4.42Å; P203-Y213 HydrophobicContact CB-CE2 4.49Å; P203-Y213 HydrophobicContact CG-CD1 3.79Å; P203-Y213 HydrophobicContact CG-CD2 3.67Å; P203-Y213 HydrophobicContact CG-CE1 3.71Å; P203-Y213 HydrophobicContact CG-CE2 3.64Å; P203-Y213 HydrophobicContact CG-CG 3.73Å; Q204-Y213 HydrophobicContact CB-CE2 3.77Å; T211-Y213 HydrophobicContact CG2-CE1 4.12Å; T211-Y213 HydrophobicContact CG2-CE2 4.17Å; Y213-G241 VanDerWaalsContact CD1-O 3.3Å; Y213-G241 WeakPolarHBondContact CD1-O 3.28Å; Y213-N287 HydrophobicContact CD2-CB 4.11Å; Y213-N287 HydrophobicContact CE2-CB 4.39Å; Y213-N287 PolarHBondContact N-O 2.84Å; Y213-G288 CarbonylContact O-C 3.36Å; Y213-D289 WeakPolarHBondContact O-CB 2.91Å; Y213-D289 PolarHBondContact O-N 3.47Å
214	P	97.8	Very high	90.2	Very high	8 Å²	8	39 Å²	39	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	149.9	172	30.1	-36.7	0	0	0	110.5	V242 V243 R292 A589 R590	P214-V242 HydrophobicContact CG-CB 4.42Å; P214-V242 HydrophobicContact CG-CG1 3.93Å; P214-V242 WeakPolarHBondContact O-CA 3.25Å; P214-V243 PolarHBondContact O-N 3.27Å; P214-R292 HydrophobicContact CB-CB 4.25Å; P214-A589 HydrophobicContact CB-CB 4.04Å; P214-A589 WeakPolarHBondContact CB-O 3.15Å; P214-R590 HydrophobicContact CG-CB 4.27Å
215	V	98.8	Very high	90.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	-173.2	-175.6	0	0	0	0	109.5	V217 V243 V245 V279 I283 R292 V293 T294	V215-V217 HydrophobicContact CG1-CG2 4.13Å; V215-V243 CarbonylContact C-O 3.56Å; V215-V243 WeakPolarHBondContact CA-O 3.32Å; V215-V243 HydrophobicContact CG1-CB 4.46Å; V215-V243 HydrophobicContact CG2-CB 4.23Å; V215-V245 HydrophobicContact CG1-CG2 4.13Å; V215-V279 HydrophobicContact CG1-CG1 4.06Å; V215-I283 HydrophobicContact CG1-CD1 4.48Å; V215-I283 HydrophobicContact CG1-CG1 4Å; V215-I283 HydrophobicContact CG2-CG1 3.87Å; V215-I283 HydrophobicContact CG2-CG2 4.14Å; V215-R292 PolarHBondContact N-O 3.21Å; V215-V293 HydrophobicContact CB-CG2 4.07Å; V215-V293 HydrophobicContact CG1-CG2 4.47Å; V215-V293 HydrophobicContact CG2-CG2 4.44Å; V215-T294 PolarHBondContact O-N 3.35Å
216	I	98.8	Very high	90.6	Very high	3 Å²	3	37 Å²	37	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.6	171.4	-68.1	177.7	0	0	0	107.6	L237 V242 V243 V244 V245 T294 V296 A589	I216-L237 HydrophobicContact CD1-CD2 4.19Å; I216-V242 HydrophobicContact CD1-CG2 4.24Å; I216-V243 PolarHBondContact N-O 2.96Å; I216-V244 CarbonylContact O-C 3.55Å; I216-V244 WeakPolarHBondContact O-CA 3.16Å; I216-V245 PolarHBondContact O-N 3.27Å; I216-T294 CarbonylContact C-O 3.54Å; I216-T294 WeakPolarHBondContact CA-O 3.37Å; I216-V296 HydrophobicContact CG2-CB 4.19Å; I216-V296 HydrophobicContact CG2-CG2 3.66Å; I216-A589 HydrophobicContact CD1-CB 4.24Å; I216-A589 HydrophobicContact CG1-CB 3.9Å
217	V	98.9	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.4	172.2	-174.4	0	0	0	0	108.1	V215 F219 V245 V275 L276 V279 V293 T294 I295 V296	V215-V217 HydrophobicContact CG1-CG2 4.13Å; V217-F219 HydrophobicContact CG1-CE1 4.2Å; V217-F219 HydrophobicContact CG1-CE2 4.49Å; V217-F219 HydrophobicContact CG1-CZ 3.96Å; V217-V245 CarbonylContact C-O 3.52Å; V217-V245 WeakPolarHBondContact CA-O 3.48Å; V217-V245 HydrophobicContact CG1-CB 4.42Å; V217-V245 HydrophobicContact CG1-CG1 4.46Å; V217-V245 HydrophobicContact CG2-CB 4.23Å; V217-V275 HydrophobicContact CG1-CG1 4.01Å; V217-L276 HydrophobicContact CB-CD2 4.25Å; V217-L276 HydrophobicContact CG1-CD2 4.01Å; V217-L276 HydrophobicContact CG2-CD2 4.34Å; V217-V279 HydrophobicContact CG2-CB 4.45Å; V217-V279 HydrophobicContact CG2-CG1 4.13Å; V217-V279 HydrophobicContact CG2-CG2 3.87Å; V217-V293 HydrophobicContact CG2-CG1 3.93Å; V217-T294 PolarHBondContact N-O 2.9Å; V217-I295 HydrophobicContact CB-CG2 4.46Å; V217-I295 CarbonylContact O-C 3.58Å; V217-I295 WeakPolarHBondContact O-CA 3.15Å; V217-V296 PolarHBondContact O-N 2.78Å
218	F	98.9	Very high	92.6	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.6	-174.8	-178.9	-100.4	0	0	0	112.4	H220 W232 V245 T246 V296 H298 L547 F551	F218-H220 HydrophobicContact CE1-CB 4.05Å; F218-W232 HydrophobicContact CD1-CB 4.29Å; F218-W232 HydrophobicContact CE1-CB 3.87Å; F218-W232 AromaticContact CE1-CD1 3.53Å; F218-W232 AromaticContact CE1-CG 3.72Å; F218-W232 HydrophobicContact CE1-CG 3.72Å; F218-W232 HydrophobicContact CZ-CG 4.23Å; F218-V245 PolarHBondContact N-O 3.42Å; F218-T246 HydrophobicContact CB-CG2 4.27Å; F218-T246 HydrophobicContact CD1-CG2 4.43Å; F218-V296 CarbonylContact C-O 3.49Å; F218-V296 VanDerWaalsContact CA-O 3.24Å; F218-V296 WeakPolarHBondContact CA-O 3.4Å; F218-V296 HydrophobicContact CD2-CB 4.16Å; F218-V296 HydrophobicContact CD2-CG1 3.94Å; F218-V296 HydrophobicContact CE2-CG1 4.39Å; F218-H298 HydrophobicContact CE2-CB 4.26Å; F218-H298 HydrophobicContact CZ-CB 4.19Å; F218-L547 HydrophobicContact CE2-CD2 3.73Å; F218-L547 HydrophobicContact CZ-CD1 4.34Å; F218-L547 HydrophobicContact CZ-CD2 3.75Å; F218-F551 HydrophobicContact CB-CZ 4.19Å; F218-F551 HydrophobicContact CD1-CE2 4.19Å; F218-F551 AromaticContact CD1-CZ 3.69Å; F218-F551 HydrophobicContact CD1-CZ 3.69Å; F218-F551 HydrophobicContact CD2-CE2 4.06Å; F218-F551 AromaticContact CD2-CZ 3.94Å; F218-F551 HydrophobicContact CD2-CZ 3.94Å; F218-F551 HydrophobicContact CE1-CE2 4.03Å; F218-F551 AromaticContact CE1-CZ 3.98Å; F218-F551 HydrophobicContact CE1-CZ 3.98Å; F218-F551 AromaticContact CE2-CE2 3.91Å; F218-F551 HydrophobicContact CE2-CE2 3.91Å; F218-F551 HydrophobicContact CE2-CZ 4.22Å; F218-F551 HydrophobicContact CG-CE2 4.2Å; F218-F551 AromaticContact CG-CZ 3.66Å; F218-F551 HydrophobicContact CG-CZ 3.66Å; F218-F551 AromaticContact CZ-CE2 3.89Å; F218-F551 HydrophobicContact CZ-CE2 3.89Å; F218-F551 HydrophobicContact CZ-CZ 4.23Å
219	F	98.8	Very high	93.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.2	170.5	-58.2	-57.4	0	0	0	110.1	V217 Y249 Q272 V275 L276 I295 V296 G297 H298 G301	V217-F219 HydrophobicContact CG1-CE1 4.2Å; V217-F219 HydrophobicContact CG1-CE2 4.49Å; V217-F219 HydrophobicContact CG1-CZ 3.96Å; F219-Y249 HydrophobicContact CB-CE1 4.44Å; F219-Q272 HydrophobicContact CD1-CB 4.12Å; F219-Q272 HydrophobicContact CD1-CG 3.64Å; F219-Q272 HydrophobicContact CE1-CB 3.57Å; F219-Q272 HydrophobicContact CE1-CG 3.61Å; F219-Q272 HydrophobicContact CE2-CB 4.33Å; F219-Q272 HydrophobicContact CG-CG 4.24Å; F219-Q272 HydrophobicContact CZ-CB 3.69Å; F219-Q272 HydrophobicContact CZ-CG 4.17Å; F219-V275 HydrophobicContact CE1-CB 4.49Å; F219-V275 HydrophobicContact CE1-CG1 4.46Å; F219-L276 HydrophobicContact CE2-CD2 4.34Å; F219-L276 HydrophobicContact CZ-CD2 4Å; F219-L276 HydrophobicContact CZ-CG 4.18Å; F219-I295 HydrophobicContact CE2-CG2 4.4Å; F219-V296 PolarHBondContact N-O 3.48Å; F219-G297 VanDerWaalsContact O-CA 3.32Å; F219-G297 WeakPolarHBondContact O-CA 3.29Å; F219-H298 PolarHBondContact O-N 3.38Å; F219-G301 WeakPolarHBondContact O-CA 3.38Å
220	H	98.2	Very high	94.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	12%	0.117	C	C	.	.			trans	-70.8	157.7	-177.9	66.5	80	0	0	0	112.7	F218 G227 S228 S229 Y249 G301	F218-H220 HydrophobicContact CE1-CB 4.05Å; H220-G227 PolarHBondContact CE1-O 2.97Å; H220-S228 VanDerWaalsContact CD2-C 3.42Å; H220-S229 PolarHBondContact CD2-N 3.4Å; H220-Y249 AromaticContact CD2-CE1 3.71Å; H220-Y249 AromaticContact CE1-CE1 3.69Å; H220-Y249 AromaticContact CE1-CZ 3.77Å; H220-Y249 AromaticContact NE2-CD1 3.86Å; H220-Y249 AromaticContact NE2-CE1 3.47Å; H220-Y249 WeakPolarHBondContact NE2-CE1 3.34Å; H220-Y249 PolarHBondContact O-OH 3.33Å; H220-G301 PolarHBondContact O-N 3.39Å
221	G	95.3	Very high	95.3	Very high	6 Å²	6	13.9 Å²	13.9	6%	0.062	8%	0.081	C	C	.	.			trans	-83.8	-153.9	174.1	0	0	0	0	0	113.9	H298	G221-H298 WeakPolarHBondContact CA-O 3.37Å; G221-H298 PolarHBondContact N-O 2.88Å
222	G	92.5	Very high	95.8	Very high	16 Å²	16	11.5 Å²	11.5	17%	0.165	7%	0.065	C	C	.	.	S	Bend	trans	103.2	30	-178.3	0	0	0	0	0	115.1	F224 Q225 T226	G222-F224 PolarHBondContact O-N 3.01Å; G222-F224 VanDerWaalsContact O-N 3.09Å; G222-Q225 PolarHBondContact O-N 2.81Å; G222-T226 WeakPolarHBondContact CA-O 3.39Å; G222-T226 PolarHBondContact O-N 2.84Å; G222-T226 PolarHBondContact O-OG1 3.1Å
223	G	92.2	Very high	95.9	Very high	14 Å²	14	6.9 Å²	6.9	14%	0.144	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	24.8	172.3	0	0	0	0	0	115.2	Q225	G223-Q225 PolarHBondContact O-N 2.97Å; G223-Q225 PolarHBondContact O-NE2 3.45Å
224	F	95.2	Very high	95.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	4.5	-169	-59.4	-75.1	0	0	0	115.1	G222 Y249 L251 G252 F256 A300 V303 L386 P387	G222-F224 PolarHBondContact O-N 3.01Å; G222-F224 VanDerWaalsContact O-N 3.09Å; F224-Y249 HydrophobicContact CD1-CE2 4.15Å; F224-L251 CarbonylContact O-C 3.59Å; F224-L251 WeakPolarHBondContact O-CA 3.43Å; F224-L251 WeakPolarHBondContact O-CB 3.21Å; F224-G252 PolarHBondContact O-N 2.89Å; F224-F256 HydrophobicContact CB-CD2 4.12Å; F224-F256 HydrophobicContact CB-CE2 3.7Å; F224-F256 HydrophobicContact CB-CZ 4.23Å; F224-F256 HydrophobicContact CD1-CE1 4.17Å; F224-F256 AromaticContact CD1-CE2 3.63Å; F224-F256 HydrophobicContact CD1-CE2 3.63Å; F224-F256 AromaticContact CD1-CZ 3.32Å; F224-F256 HydrophobicContact CD1-CZ 3.32Å; F224-F256 HydrophobicContact CE1-CE1 4.46Å; F224-F256 AromaticContact CE1-CZ 3.87Å; F224-F256 HydrophobicContact CE1-CZ 3.87Å; F224-F256 AromaticContact CG-CE2 3.98Å; F224-F256 HydrophobicContact CG-CE2 3.98Å; F224-F256 AromaticContact CG-CZ 3.99Å; F224-F256 HydrophobicContact CG-CZ 3.99Å; F224-A300 HydrophobicContact CD1-CB 4.06Å; F224-A300 HydrophobicContact CD2-CB 3.67Å; F224-A300 HydrophobicContact CE1-CB 4.08Å; F224-A300 HydrophobicContact CE2-CB 3.69Å; F224-A300 HydrophobicContact CG-CB 3.87Å; F224-A300 HydrophobicContact CZ-CB 3.9Å; F224-A300 VanDerWaalsContact CZ-O 3.22Å; F224-A300 WeakPolarHBondContact CZ-O 3.41Å; F224-A300 VanDerWaalsContact N-CB 3.34Å; F224-V303 HydrophobicContact CE2-CB 4.07Å; F224-V303 HydrophobicContact CE2-CG1 4.01Å; F224-V303 HydrophobicContact CE2-CG2 4.43Å; F224-V303 HydrophobicContact CZ-CB 3.95Å; F224-V303 HydrophobicContact CZ-CG1 4.02Å; F224-L386 HydrophobicContact CB-CD2 4.37Å; F224-L386 HydrophobicContact CD2-CD2 3.87Å; F224-P387 HydrophobicContact CD1-CG 4.44Å; F224-P387 HydrophobicContact CD2-CG 4.16Å; F224-P387 HydrophobicContact CE1-CG 3.94Å; F224-P387 VanDerWaalsContact CE2-CD 3.47Å; F224-P387 HydrophobicContact CE2-CG 3.62Å; F224-P387 HydrophobicContact CZ-CG 3.48Å; F224-P387 VanDerWaalsContact CZ-CG 3.48Å
225	Q	92.9	Very high	95.9	Very high	25 Å²	25	6.3 Å²	6.3	12%	0.117	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-35.7	179.5	-56.8	-45.9	-63.8	0	0	112.4	Q173 G222 G223 R382 F385	Q173-Q225 WeakPolarHBondContact CB-O 3.3Å; G222-Q225 PolarHBondContact O-N 2.81Å; G223-Q225 PolarHBondContact O-N 2.97Å; G223-Q225 PolarHBondContact O-NE2 3.45Å; Q225-R382 VanDerWaalsContact CD-O 3.25Å; Q225-R382 HydrophobicContact CG-CB 4.4Å; Q225-R382 WeakPolarHBondContact CG-O 3.22Å; Q225-R382 PolarHBondContact NE2-O 3.33Å; Q225-F385 PolarHBondContact NE2-O 2.75Å
226	T	93	Very high	95.9	Very high	4 Å²	4	6.3 Å²	6.3	3%	0.025	4%	0.043	C	C	.	.	S	Bend	trans	-133.6	173.2	-175.2	60.5	0	0	0	0	111.3	Q173 D174 G222	Q173-T226 HydrophobicContact CB-CG2 4.41Å; Q173-T226 VanDerWaalsContact OE1-CA 3.24Å; D174-T226 VanDerWaalsContact O-CG2 3.28Å; D174-T226 WeakPolarHBondContact O-CG2 3.49Å; G222-T226 WeakPolarHBondContact CA-O 3.39Å; G222-T226 PolarHBondContact O-N 2.84Å; G222-T226 PolarHBondContact O-OG1 3.1Å
227	G	94.2	Very high	95.8	Very high	7 Å²	7	6.1 Å²	6.1	7%	0.072	4%	0.043	C	C	.	.			trans	115.9	165.2	174.5	0	0	0	0	0	113.2	Q173 H220	Q173-G227 PolarHBondContact NE2-O 3.21Å; H220-G227 PolarHBondContact CE1-O 2.97Å
228	S	96.1	Very high	95.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.043	C	C	.	.			trans	-148.9	149.8	178.9	-168.1	0	0	0	0	111.6	S170 H220 S230 D231	S170-S228 WeakPolarHBondContact OG-CB 3.46Å; S170-S228 PolarHBondContact OG-OG 3.27Å; H220-S228 VanDerWaalsContact CD2-C 3.42Å; S228-S230 PolarHBondContact O-N 3.31Å; S228-S230 WeakPolarHBondContact OG-CB 3.44Å; S228-S230 PolarHBondContact OG-N 2.85Å; S228-S230 PolarHBondContact OG-OG 2.72Å; S228-D231 WeakPolarHBondContact CB-OD2 3.49Å; S228-D231 PolarHBondContact N-OD2 3.21Å; S228-D231 WeakPolarHBondContact O-CB 3.47Å; S228-D231 PolarHBondContact O-N 3.24Å
229	S	96	Very high	95.7	Very high	3 Å²	3	6 Å²	6	2%	0.021	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-63.5	-22	164.8	60.9	0	0	0	0	112.7	N199 H220 D231 W232 N248	N199-S229 PolarHBondContact ND2-OG 3.05Å; H220-S229 PolarHBondContact CD2-N 3.4Å; S229-D231 VanDerWaalsContact C-N 3.29Å; S229-D231 PolarHBondContact O-N 3.46Å; S229-W232 PolarHBondContact O-N 3.06Å; S229-N248 VanDerWaalsContact CB-OD1 3.27Å; S229-N248 WeakPolarHBondContact CB-OD1 3.46Å; S229-N248 PolarHBondContact N-OD1 3.04Å; S229-N248 PolarHBondContact OG-OD1 3.16Å
230	S	94.1	Very high	95.6	Very high	8 Å²	8	6 Å²	6	6%	0.056	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-71.6	-22.8	179.4	-60.9	0	0	0	0	113.3	S228 W232	S228-S230 PolarHBondContact O-N 3.31Å; S228-S230 WeakPolarHBondContact OG-CB 3.44Å; S228-S230 PolarHBondContact OG-N 2.85Å; S228-S230 PolarHBondContact OG-OG 2.72Å; S230-W232 PolarHBondContact O-N 2.51Å
231	D	93.7	Very high	95.5	Very high	16 Å²	16	6.1 Å²	6.1	9%	0.086	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-66.5	-24.5	178	-66.6	-54	0	0	0	112.3	R178 H189 S228 S229 P233	R178-D231 IonicContact CZ-OD1 3Å; R178-D231 IonicContact CZ-OD2 3.32Å; R178-D231 IonicContact NH1-OD1 3.77Å; R178-D231 PolarHBondContact NH1-OD1 3.44Å; R178-D231 IonicContact NH1-OD2 3.35Å; R178-D231 PolarHBondContact NH1-OD2 3.1Å; R178-D231 IonicContact NH2-OD1 2.77Å; R178-D231 PolarHBondContact NH2-OD1 3.37Å; R178-D231 IonicContact NH2-OD2 3.02Å; R178-D231 PolarHBondContact NH2-OD2 3.34Å; H189-D231 IonicContact NE2-OD1 2.7Å; S228-D231 WeakPolarHBondContact CB-OD2 3.49Å; S228-D231 PolarHBondContact N-OD2 3.21Å; S228-D231 WeakPolarHBondContact O-CB 3.47Å; S228-D231 PolarHBondContact O-N 3.24Å; S229-D231 VanDerWaalsContact C-N 3.29Å; S229-D231 PolarHBondContact O-N 3.46Å; D231-P233 VanDerWaalsContact C-CD 3.44Å; D231-P233 VanDerWaalsContact O-CD 3.24Å; D231-P233 WeakPolarHBondContact O-CD 3.38Å
232	W	95.9	Very high	95.6	Very high	9 Å²	9	5.9 Å²	5.9	3%	0.034	4%	0.041	C	C	.	.	S	Bend	trans	-125	70.7	-168.2	-54.8	108.1	0	0	0	111.8	F218 S229 S230 G234 E544 L547 F548 F551 F553	F218-W232 HydrophobicContact CD1-CB 4.29Å; F218-W232 HydrophobicContact CE1-CB 3.87Å; F218-W232 AromaticContact CE1-CD1 3.53Å; F218-W232 AromaticContact CE1-CG 3.72Å; F218-W232 HydrophobicContact CE1-CG 3.72Å; F218-W232 HydrophobicContact CZ-CG 4.23Å; S229-W232 PolarHBondContact O-N 3.06Å; S230-W232 PolarHBondContact O-N 2.51Å; W232-G234 PolarHBondContact O-N 3.14Å; W232-E544 HydrophobicContact CH2-CB 4.03Å; W232-E544 HydrophobicContact CH2-CG 4.37Å; W232-E544 HydrophobicContact CZ2-CB 4.48Å; W232-E544 HydrophobicContact CZ2-CG 4.33Å; W232-L547 HydrophobicContact CD2-CB 4.44Å; W232-L547 HydrophobicContact CD2-CD1 3.97Å; W232-L547 HydrophobicContact CE3-CB 3.82Å; W232-L547 HydrophobicContact CE3-CD1 4.15Å; W232-L547 HydrophobicContact CH2-CB 3.68Å; W232-L547 HydrophobicContact CH2-CD1 3.58Å; W232-L547 HydrophobicContact CH2-CG 4.32Å; W232-L547 HydrophobicContact CZ2-CB 4.3Å; W232-L547 HydrophobicContact CZ2-CD1 3.33Å; W232-L547 HydrophobicContact CZ2-CG 4.48Å; W232-L547 HydrophobicContact CZ3-CB 3.41Å; W232-L547 VanDerWaalsContact CZ3-CB 3.41Å; W232-L547 HydrophobicContact CZ3-CD1 3.98Å; W232-L547 HydrophobicContact CZ3-CG 4.36Å; W232-F548 HydrophobicContact CH2-CE1 4.23Å; W232-F548 HydrophobicContact CH2-CZ 4.49Å; W232-F548 HydrophobicContact CZ3-CD1 4.17Å; W232-F548 HydrophobicContact CZ3-CE1 4.12Å; W232-F551 HydrophobicContact CB-CD1 4.14Å; W232-F551 HydrophobicContact CB-CD2 4Å; W232-F551 HydrophobicContact CB-CE1 3.84Å; W232-F551 HydrophobicContact CB-CE2 3.7Å; W232-F551 HydrophobicContact CB-CG 4.22Å; W232-F551 HydrophobicContact CB-CZ 3.61Å; W232-F551 HydrophobicContact CD2-CD2 4.41Å; W232-F551 HydrophobicContact CD2-CE2 4.49Å; W232-F551 AromaticContact CE3-CD2 3.95Å; W232-F551 HydrophobicContact CE3-CD2 3.95Å; W232-F551 HydrophobicContact CE3-CE2 4.46Å; W232-F551 HydrophobicContact CE3-CG 4.46Å; W232-F551 HydrophobicContact CG-CD2 4.46Å; W232-F551 HydrophobicContact CG-CE2 4.2Å; W232-F551 WeakPolarHBondContact O-CD1 3.37Å; W232-F551 WeakPolarHBondContact O-CE1 3.39Å; W232-F553 AromaticContact CE3-CE2 3.93Å; W232-F553 HydrophobicContact CE3-CE2 3.93Å; W232-F553 HydrophobicContact CE3-CZ 4.04Å; W232-F553 HydrophobicContact CZ3-CE2 4.06Å; W232-F553 HydrophobicContact CZ3-CZ 4.02Å
233	P	95.3	Very high	95.9	Very high	9 Å²	9	5.1 Å²	5.1	6%	0.058	3%	0.033	C	C	.	.			trans	-75.9	119.8	-172.1	30.9	-35.5	0	0	0	111.8	D231 H235 M556	D231-P233 VanDerWaalsContact C-CD 3.44Å; D231-P233 VanDerWaalsContact O-CD 3.24Å; D231-P233 WeakPolarHBondContact O-CD 3.38Å; P233-H235 WeakPolarHBondContact CB-ND1 3.43Å; P233-H235 PolarHBondContact O-N 3.14Å; P233-M556 HydrophobicContact CG-CE 3.81Å; P233-M556 HydrophobicContact CG-SD 3.9Å
234	G	97.3	Very high	96.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	14.6	-172	0	0	0	0	0	117.4	W232 A238	W232-G234 PolarHBondContact O-N 3.14Å; G234-A238 WeakPolarHBondContact O-CB 3.42Å; G234-A238 PolarHBondContact O-N 3.32Å
235	H	97.9	Very high	96.3	Very high	8 Å²	8	4.4 Å²	4.4	4%	0.037	3%	0.026	C	C	.	.	H	α-helix	trans	-58.2	-56.3	-172.4	-57.3	87.6	0	0	0	112.3	M95 I130 Y201 P233 A238 T239 L560	M95-H235 HydrophobicContact CE-CB 4.49Å; M95-H235 HydrophobicContact SD-CB 4.2Å; I130-H235 HydrophobicContact CD1-CB 3.75Å; I130-H235 WeakPolarHBondContact CD1-O 3.25Å; Y201-H235 AromaticContact CD1-CD2 4Å; Y201-H235 AromaticContact CE1-CD2 3.91Å; Y201-H235 AromaticContact CE1-CE1 3.53Å; Y201-H235 AromaticContact CE1-CG 3.96Å; Y201-H235 AromaticContact CE1-ND1 3.74Å; Y201-H235 AromaticContact CE1-NE2 3.61Å; P233-H235 WeakPolarHBondContact CB-ND1 3.43Å; P233-H235 PolarHBondContact O-N 3.14Å; H235-A238 PolarHBondContact O-N 3.48Å; H235-T239 WeakPolarHBondContact O-CG2 3.43Å; H235-L560 HydrophobicContact CB-CD1 4.2Å
236	I	98.1	Very high	96.6	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-70.3	-41.8	-176.5	-59.3	-57.7	0	0	0	110.7	M95 W100 A238 T239 W555 M556 M582	M95-I236 HydrophobicContact CB-CD1 4.49Å; M95-I236 HydrophobicContact CG-CD1 4.31Å; M95-I236 HydrophobicContact SD-CD1 3.99Å; W100-I236 HydrophobicContact CZ2-CG2 4.14Å; I236-A238 VanDerWaalsContact C-N 3.27Å; I236-A238 PolarHBondContact O-N 2.96Å; I236-T239 WeakPolarHBondContact O-CB 3.44Å; I236-T239 PolarHBondContact O-N 3.03Å; I236-T239 PolarHBondContact O-OG1 2.74Å; I236-W555 HydrophobicContact CD1-CB 4.32Å; I236-W555 WeakPolarHBondContact CD1-O 3.45Å; I236-W555 HydrophobicContact CG1-CB 4.27Å; I236-W555 HydrophobicContact CG2-CB 3.82Å; I236-M556 HydrophobicContact CG1-CB 4.16Å; I236-M556 HydrophobicContact CG1-CE 4.44Å; I236-M556 HydrophobicContact CG1-CG 4.49Å; I236-M582 HydrophobicContact CG2-CE 3.93Å; I236-M582 HydrophobicContact CG2-SD 3.89Å
237	L	98.3	Very high	96.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-58.8	-40.2	178.2	-179.3	57.4	0	0	0	111.5	I216 T239 K240 V242 V244 L550 M582	I216-L237 HydrophobicContact CD1-CD2 4.19Å; L237-T239 PolarHBondContact O-N 2.66Å; L237-K240 WeakPolarHBondContact O-CB 3.44Å; L237-K240 PolarHBondContact O-N 3.49Å; L237-K240 VanDerWaalsContact O-N 3.1Å; L237-V242 HydrophobicContact CD1-CG2 4.22Å; L237-V242 HydrophobicContact CG-CG2 3.95Å; L237-V242 WeakPolarHBondContact O-CG2 3.47Å; L237-V244 HydrophobicContact CB-CG2 3.95Å; L237-V244 HydrophobicContact CD2-CG1 4.39Å; L237-V244 HydrophobicContact CD2-CG2 3.8Å; L237-V244 HydrophobicContact CG-CG2 3.67Å; L237-L550 HydrophobicContact CD1-CD1 4.29Å; L237-L550 HydrophobicContact CD2-CD1 4.05Å; L237-L550 HydrophobicContact CD2-CG 4.23Å; L237-M582 HydrophobicContact CD1-CB 4.13Å; L237-M582 HydrophobicContact CD1-CG 4Å; L237-M582 HydrophobicContact CD1-SD 4.32Å
238	A	98.2	Very high	97.1	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.5	-28.6	176.9	0	0	0	0	0	113.9	G234 H235 I236 K240 G241 V242 V244	G234-A238 WeakPolarHBondContact O-CB 3.42Å; G234-A238 PolarHBondContact O-N 3.32Å; H235-A238 PolarHBondContact O-N 3.48Å; I236-A238 VanDerWaalsContact C-N 3.27Å; I236-A238 PolarHBondContact O-N 2.96Å; A238-K240 PolarHBondContact O-N 2.89Å; A238-K240 VanDerWaalsContact O-N 3.15Å; A238-G241 PolarHBondContact O-N 2.69Å; A238-G241 VanDerWaalsContact O-N 3.11Å; A238-V242 VanDerWaalsContact CA-O 3.31Å; A238-V242 WeakPolarHBondContact CA-O 3.27Å; A238-V244 HydrophobicContact CB-CG2 4.26Å
239	T	97.5	Very high	97.2	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.6	177.6	71.3	0	0	0	0	113.1	M95 L98 W100 T101 P102 V128 I130 H235 I236 L237 G241	M95-T239 HydrophobicContact CB-CG2 4.01Å; M95-T239 HydrophobicContact CG-CG2 3.83Å; L98-T239 HydrophobicContact CD1-CG2 3.58Å; L98-T239 WeakPolarHBondContact CD1-OG1 3.36Å; W100-T239 VanDerWaalsContact CD1-O 3.29Å; W100-T239 PolarHBondContact NE1-O 2.95Å; W100-T239 PolarHBondContact NE1-OG1 3.24Å; T101-T239 CarbonylContact C-O 3.56Å; P102-T239 WeakPolarHBondContact CA-O 3.45Å; V128-T239 HydrophobicContact CB-CG2 4.33Å; V128-T239 HydrophobicContact CG1-CG2 4Å; I130-T239 HydrophobicContact CG2-CG2 3.63Å; H235-T239 WeakPolarHBondContact O-CG2 3.43Å; I236-T239 WeakPolarHBondContact O-CB 3.44Å; I236-T239 PolarHBondContact O-N 3.03Å; I236-T239 PolarHBondContact O-OG1 2.74Å; L237-T239 PolarHBondContact O-N 2.66Å; T239-G241 PolarHBondContact O-N 3.07Å
240	K	95.7	Very high	97.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	0.5	175.6	-70.6	-72.3	-172.1	-171.8	0	113.7	W100 D105 L237 A238 M582 K586	W100-K240 HydrophobicContact CD2-CD 4Å; W100-K240 HydrophobicContact CG-CD 3.98Å; W100-K240 HydrophobicContact CZ2-CD 4.24Å; D105-K240 WeakPolarHBondContact OD2-CD 3.29Å; D105-K240 IonicContact OD2-NZ 3.84Å; D105-K240 PolarHBondContact OD2-NZ 3.41Å; L237-K240 WeakPolarHBondContact O-CB 3.44Å; L237-K240 PolarHBondContact O-N 3.49Å; L237-K240 VanDerWaalsContact O-N 3.1Å; A238-K240 PolarHBondContact O-N 2.89Å; A238-K240 VanDerWaalsContact O-N 3.15Å; K240-M582 HydrophobicContact CG-CB 4.12Å; K240-M582 HydrophobicContact CG-SD 4.37Å; K240-K586 HydrophobicContact CB-CD 4.34Å; K240-K586 VanDerWaalsContact O-CD 3.25Å; K240-K586 WeakPolarHBondContact O-CD 3.43Å; K240-K586 WeakPolarHBondContact O-CE 3.37Å; K240-K586 PolarHBondContact O-NZ 3.37Å
241	G	95.3	Very high	97.4	Very high	4 Å²	4	2.7 Å²	2.7	4%	0.041	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	45.5	-176.6	0	0	0	0	0	112	P102 Y213 A238 T239	P102-G241 WeakPolarHBondContact O-CA 3.48Å; Y213-G241 VanDerWaalsContact CD1-O 3.3Å; Y213-G241 WeakPolarHBondContact CD1-O 3.28Å; A238-G241 PolarHBondContact O-N 2.69Å; A238-G241 VanDerWaalsContact O-N 3.11Å; T239-G241 PolarHBondContact O-N 3.07Å
242	V	97.7	Very high	97.5	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.			trans	-135.1	149	172.9	-52.2	0	0	0	0	109	P203 P214 I216 L237 A238 V244 K586	P203-V242 WeakPolarHBondContact CD-O 3.37Å; P214-V242 HydrophobicContact CG-CB 4.42Å; P214-V242 HydrophobicContact CG-CG1 3.93Å; P214-V242 WeakPolarHBondContact O-CA 3.25Å; I216-V242 HydrophobicContact CD1-CG2 4.24Å; L237-V242 HydrophobicContact CD1-CG2 4.22Å; L237-V242 HydrophobicContact CG-CG2 3.95Å; L237-V242 WeakPolarHBondContact O-CG2 3.47Å; A238-V242 VanDerWaalsContact CA-O 3.31Å; A238-V242 WeakPolarHBondContact CA-O 3.27Å; V242-V244 HydrophobicContact CG2-CG2 3.84Å; V242-K586 HydrophobicContact CG1-CB 3.98Å; V242-K586 HydrophobicContact CG1-CG 3.77Å
243	V	98.5	Very high	97.5	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125	167.4	-177.6	0	0	0	0	108	V200 Y201 P214 V215 I216 V245 I283	V200-V243 HydrophobicContact CG1-CG1 3.82Å; Y201-V243 CarbonylContact O-C 3.52Å; Y201-V243 WeakPolarHBondContact O-CA 3.31Å; P214-V243 PolarHBondContact O-N 3.27Å; V215-V243 CarbonylContact C-O 3.56Å; V215-V243 WeakPolarHBondContact CA-O 3.32Å; V215-V243 HydrophobicContact CG1-CB 4.46Å; V215-V243 HydrophobicContact CG2-CB 4.23Å; I216-V243 PolarHBondContact N-O 2.96Å; V243-V245 HydrophobicContact CG1-CG2 4.4Å; V243-I283 HydrophobicContact CG1-CD1 3.78Å; V243-I283 HydrophobicContact CG1-CG1 4.15Å
244	V	98.8	Very high	97.5	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.7	177.3	-171.7	0	0	0	0	108.7	V200 Y201 I216 L237 A238 V242 T246 F551	V200-V244 WeakPolarHBondContact CA-O 3.3Å; Y201-V244 HydrophobicContact CD2-CB 4.19Å; Y201-V244 HydrophobicContact CD2-CG1 4.43Å; Y201-V244 WeakPolarHBondContact CD2-O 3.36Å; Y201-V244 PolarHBondContact N-O 2.96Å; Y201-V244 PolarHBondContact O-N 3.45Å; I216-V244 CarbonylContact O-C 3.55Å; I216-V244 WeakPolarHBondContact O-CA 3.16Å; L237-V244 HydrophobicContact CB-CG2 3.95Å; L237-V244 HydrophobicContact CD2-CG1 4.39Å; L237-V244 HydrophobicContact CD2-CG2 3.8Å; L237-V244 HydrophobicContact CG-CG2 3.67Å; A238-V244 HydrophobicContact CB-CG2 4.26Å; V242-V244 HydrophobicContact CG2-CG2 3.84Å; V244-T246 HydrophobicContact CG1-CG2 4.21Å; V244-F551 HydrophobicContact CG1-CE1 4.36Å
245	V	98.8	Very high	97.5	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.9	172.7	-175.9	0	0	0	0	107.8	L198 N199 V200 V215 I216 V217 F218 V243 V275 V279 I283	L198-V245 HydrophobicContact CB-CG1 4.47Å; L198-V245 HydrophobicContact CD1-CG1 4.43Å; N199-V245 VanDerWaalsContact O-CA 3.29Å; N199-V245 WeakPolarHBondContact O-CA 3.39Å; V200-V245 HydrophobicContact CG2-CG2 4.34Å; V215-V245 HydrophobicContact CG1-CG2 4.13Å; I216-V245 PolarHBondContact O-N 3.27Å; V217-V245 CarbonylContact C-O 3.52Å; V217-V245 WeakPolarHBondContact CA-O 3.48Å; V217-V245 HydrophobicContact CG1-CB 4.42Å; V217-V245 HydrophobicContact CG1-CG1 4.46Å; V217-V245 HydrophobicContact CG2-CB 4.23Å; F218-V245 PolarHBondContact N-O 3.42Å; V243-V245 HydrophobicContact CG1-CG2 4.4Å; V245-V275 HydrophobicContact CG1-CG1 4.43Å; V245-V279 HydrophobicContact CB-CG2 4.48Å; V245-V279 HydrophobicContact CG1-CG2 4.15Å; V245-V279 HydrophobicContact CG2-CG2 4.17Å; V245-I283 HydrophobicContact CG2-CD1 3.66Å
246	T	98.7	Very high	97.5	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.008	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.8	172.4	61	0	0	0	0	107.8	L198 N199 Y201 F218 V244 F551	L198-T246 CarbonylContact C-O 3.57Å; L198-T246 VanDerWaalsContact CA-O 3.24Å; L198-T246 WeakPolarHBondContact CA-O 3.38Å; L198-T246 WeakPolarHBondContact CB-O 3.47Å; N199-T246 WeakPolarHBondContact CB-OG1 3.44Å; N199-T246 PolarHBondContact N-O 2.97Å; N199-T246 PolarHBondContact ND2-OG1 3.42Å; N199-T246 PolarHBondContact O-N 2.96Å; Y201-T246 HydrophobicContact CE2-CG2 4.31Å; F218-T246 HydrophobicContact CB-CG2 4.27Å; F218-T246 HydrophobicContact CD1-CG2 4.43Å; V244-T246 HydrophobicContact CG1-CG2 4.21Å; T246-F551 HydrophobicContact CG2-CE1 4.31Å
247	A	98.4	Very high	97.3	Very high	1 Å²	1	1.2 Å²	1.2	1%	0.008	1%	0.008	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.1	-177.4	0	0	0	0	0	112.2	Y138 L198 V275	Y138-A247 HydrophobicContact CE1-CB 4.41Å; L198-A247 HydrophobicContact CB-CB 3.78Å; A247-V275 HydrophobicContact CB-CB 4.36Å; A247-V275 HydrophobicContact CB-CG1 3.88Å; A247-V275 HydrophobicContact CB-CG2 3.61Å
248	N	98.5	Very high	97.2	Very high	2 Å²	2	1.3 Å²	1.3	1%	0.011	1%	0.008	C	C	.	.			trans	-79	151.4	165.7	-72.6	-11.8	0	0	0	109.5	Y138 P169 C195 Y197 S229	Y138-N248 PolarHBondContact OH-O 3.2Å; P169-N248 PolarHBondContact O-ND2 2.97Å; C195-N248 WeakPolarHBondContact O-CB 3.45Å; C195-N248 PolarHBondContact O-ND2 3.27Å; Y197-N248 PolarHBondContact O-N 2.97Å; Y197-N248 VanDerWaalsContact O-N 3.07Å; S229-N248 VanDerWaalsContact CB-OD1 3.27Å; S229-N248 WeakPolarHBondContact CB-OD1 3.46Å; S229-N248 PolarHBondContact N-OD1 3.04Å; S229-N248 PolarHBondContact OG-OD1 3.16Å
249	Y	98.7	Very high	97	Very high	1 Å²	1	2.4 Å²	2.4	0%	0.004	1%	0.014	C	C	.	.			trans	-142.9	155	172.5	56.3	-89.9	0	0	0	108.9	C171 F219 H220 F224 L251 Q272	C171-Y249 PolarHBondContact SG-O 3.04Å; F219-Y249 HydrophobicContact CB-CE1 4.44Å; H220-Y249 AromaticContact CD2-CE1 3.71Å; H220-Y249 AromaticContact CE1-CE1 3.69Å; H220-Y249 AromaticContact CE1-CZ 3.77Å; H220-Y249 AromaticContact NE2-CD1 3.86Å; H220-Y249 AromaticContact NE2-CE1 3.47Å; H220-Y249 WeakPolarHBondContact NE2-CE1 3.34Å; H220-Y249 PolarHBondContact O-OH 3.33Å; F224-Y249 HydrophobicContact CD1-CE2 4.15Å; Y249-L251 HydrophobicContact CD2-CD2 3.86Å; Y249-L251 HydrophobicContact CE2-CD2 3.37Å; Y249-L251 PolarHBondContact O-N 3.3Å; Y249-Q272 HydrophobicContact CD1-CG 3.89Å; Y249-Q272 VanDerWaalsContact CD1-NE2 3.27Å; Y249-Q272 HydrophobicContact CD2-CG 4.46Å; Y249-Q272 VanDerWaalsContact CD2-NE2 3.3Å; Y249-Q272 VanDerWaalsContact CE1-NE2 3.26Å; Y249-Q272 VanDerWaalsContact CE2-NE2 3.28Å; Y249-Q272 HydrophobicContact CG-CG 3.81Å; Y249-Q272 VanDerWaalsContact CG-NE2 3.3Å; Y249-Q272 VanDerWaalsContact CZ-NE2 3.27Å
250	R	98.4	Very high	96.7	Very high	5 Å²	5	3.4 Å²	3.4	2%	0.019	2%	0.024	C	C	.	.			trans	-60.2	138.2	-178.6	-78.5	170.3	-74	-179.9	-5.6	111.8	P142 R147 H149 L196 D271	P142-R250 HydrophobicContact CG-CG 4.5Å; R147-R250 PolarHBondContact O-NH1 3.41Å; H149-R250 PolarHBondContact O-NH1 2.92Å; H149-R250 PolarHBondContact O-NH2 2.78Å; L196-R250 HydrophobicContact CD2-CG 4.18Å; R250-D271 WeakPolarHBondContact CB-OD2 3.48Å; R250-D271 WeakPolarHBondContact CG-OD2 3.46Å; R250-D271 IonicContact CZ-OD1 3.71Å; R250-D271 IonicContact CZ-OD2 2.75Å; R250-D271 PolarHBondContact N-OD2 3.29Å; R250-D271 IonicContact NE-OD1 3.84Å; R250-D271 PolarHBondContact NE-OD1 3.47Å; R250-D271 IonicContact NE-OD2 2.8Å; R250-D271 PolarHBondContact NE-OD2 3.29Å; R250-D271 IonicContact NH2-OD1 3.77Å; R250-D271 PolarHBondContact NH2-OD1 3.46Å; R250-D271 IonicContact NH2-OD2 3.97Å
251	L	96.5	Very high	96.6	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	4%	0.04	C	C	.	.			trans	-114.6	164	-176.7	-59.5	176.2	0	0	0	111.7	C171 Q173 F224 Y249 L254 G255	C171-L251 HydrophobicContact CB-CD1 4.46Å; C171-L251 HydrophobicContact CB-CG 4.38Å; Q173-L251 HydrophobicContact CB-CD1 4.38Å; F224-L251 CarbonylContact O-C 3.59Å; F224-L251 WeakPolarHBondContact O-CA 3.43Å; F224-L251 WeakPolarHBondContact O-CB 3.21Å; Y249-L251 HydrophobicContact CD2-CD2 3.86Å; Y249-L251 HydrophobicContact CE2-CD2 3.37Å; Y249-L251 PolarHBondContact O-N 3.3Å; L251-L254 PolarHBondContact O-N 3.1Å; L251-L254 VanDerWaalsContact O-N 3.15Å; L251-G255 PolarHBondContact O-N 3.34Å
252	G	95.1	Very high	96.5	Very high	3 Å²	3	12.5 Å²	12.5	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	49.4	-135.2	175	0	0	0	0	0	112.5	F224 L254 G255 F256	F224-G252 PolarHBondContact O-N 2.89Å; G252-L254 PolarHBondContact O-N 3.07Å; G252-G255 PolarHBondContact O-N 3.28Å; G252-G255 VanDerWaalsContact O-N 3.17Å; G252-F256 PolarHBondContact O-N 3.09Å
253	P	95.3	Very high	96.2	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.013	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-28.6	-178.9	24.8	-32.4	0	0	0	112.8	G255 L257 L348 L374 V378 F385	P253-G255 VanDerWaalsContact C-N 3.32Å; P253-G255 PolarHBondContact O-N 3.21Å; P253-L257 HydrophobicContact CB-CD1 4.44Å; P253-L257 WeakPolarHBondContact O-CB 3.46Å; P253-L257 PolarHBondContact O-N 3.24Å; P253-L348 HydrophobicContact CB-CD2 3.7Å; P253-L348 HydrophobicContact CG-CD2 4.4Å; P253-L374 HydrophobicContact CG-CB 4.03Å; P253-L374 WeakPolarHBondContact CG-O 3.28Å; P253-V378 HydrophobicContact CG-CG2 3.92Å; P253-F385 HydrophobicContact CB-CD1 4.42Å; P253-F385 HydrophobicContact CB-CD2 4.2Å; P253-F385 HydrophobicContact CB-CE2 4.3Å; P253-F385 HydrophobicContact CB-CG 4.27Å; P253-F385 HydrophobicContact CB-CZ 4.47Å
254	L	96.4	Very high	96	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	10%	0.102	C	C	.	.	H	α-helix	trans	-70	-30.9	177.5	-63.4	174.8	0	0	0	112.6	R147 F148 P172 E193 L251 G252 P371 L374	R147-L254 HydrophobicContact CG-CD2 3.74Å; F148-L254 HydrophobicContact CE1-CD2 3.91Å; F148-L254 HydrophobicContact CZ-CD2 4.36Å; P172-L254 HydrophobicContact CB-CD1 3.63Å; P172-L254 HydrophobicContact CG-CD1 3.51Å; E193-L254 HydrophobicContact CG-CD1 4.41Å; L251-L254 PolarHBondContact O-N 3.1Å; L251-L254 VanDerWaalsContact O-N 3.15Å; G252-L254 PolarHBondContact O-N 3.07Å; L254-P371 HydrophobicContact CD1-CB 4.3Å; L254-L374 HydrophobicContact CD2-CD1 3.93Å
255	G	97.2	Very high	95.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-89.8	-29.3	178.4	0	0	0	0	0	114.3	L251 G252 P253 Y267 G268	L251-G255 PolarHBondContact O-N 3.34Å; G252-G255 PolarHBondContact O-N 3.28Å; G252-G255 VanDerWaalsContact O-N 3.17Å; P253-G255 VanDerWaalsContact C-N 3.32Å; P253-G255 PolarHBondContact O-N 3.21Å; G255-Y267 WeakPolarHBondContact O-CA 3.38Å; G255-Y267 WeakPolarHBondContact O-CB 3.46Å; G255-Y267 PolarHBondContact O-N 3.5Å; G255-G268 PolarHBondContact O-N 3.33Å
256	F	96.8	Very high	95.8	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.013	10%	0.103	C	C	.	.	H	α-helix	trans	-137.6	9.4	-159.8	-60.5	-77.8	0	0	0	115.6	F224 G252 S258 L269 F385 P387	F224-F256 HydrophobicContact CB-CD2 4.12Å; F224-F256 HydrophobicContact CB-CE2 3.7Å; F224-F256 HydrophobicContact CB-CZ 4.23Å; F224-F256 HydrophobicContact CD1-CE1 4.17Å; F224-F256 AromaticContact CD1-CE2 3.63Å; F224-F256 HydrophobicContact CD1-CE2 3.63Å; F224-F256 AromaticContact CD1-CZ 3.32Å; F224-F256 HydrophobicContact CD1-CZ 3.32Å; F224-F256 HydrophobicContact CE1-CE1 4.46Å; F224-F256 AromaticContact CE1-CZ 3.87Å; F224-F256 HydrophobicContact CE1-CZ 3.87Å; F224-F256 AromaticContact CG-CE2 3.98Å; F224-F256 HydrophobicContact CG-CE2 3.98Å; F224-F256 AromaticContact CG-CZ 3.99Å; F224-F256 HydrophobicContact CG-CZ 3.99Å; G252-F256 PolarHBondContact O-N 3.09Å; F256-S258 PolarHBondContact O-N 2.95Å; F256-L269 HydrophobicContact CE1-CG 4.18Å; F256-F385 HydrophobicContact CB-CB 4.15Å; F256-P387 HydrophobicContact CD1-CG 4.26Å; F256-P387 HydrophobicContact CE1-CG 3.79Å
257	L	94.9	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.			trans	-64.9	129	173	-168.2	160	0	0	0	110.6	F148 P253 G265 T345 L348 W363 L366 F385	F148-L257 HydrophobicContact CE1-CD1 4.45Å; F148-L257 HydrophobicContact CZ-CD1 4.22Å; P253-L257 HydrophobicContact CB-CD1 4.44Å; P253-L257 WeakPolarHBondContact O-CB 3.46Å; P253-L257 PolarHBondContact O-N 3.24Å; L257-G265 WeakPolarHBondContact O-CA 3.33Å; L257-G265 PolarHBondContact O-N 3.2Å; L257-T345 HydrophobicContact CD1-CG2 4.36Å; L257-T345 HydrophobicContact CD2-CG2 3.4Å; L257-T345 HydrophobicContact CG-CG2 3.83Å; L257-L348 HydrophobicContact CD1-CD2 4.06Å; L257-W363 HydrophobicContact CD2-CE3 3.63Å; L257-W363 HydrophobicContact CD2-CH2 3.84Å; L257-W363 HydrophobicContact CD2-CZ3 3.1Å; L257-L366 HydrophobicContact CD1-CD1 4Å; L257-L366 HydrophobicContact CD2-CD1 4.5Å; L257-F385 HydrophobicContact CB-CD1 4.49Å; L257-F385 HydrophobicContact CB-CE1 4.48Å; L257-F385 HydrophobicContact CG-CE1 4.37Å
258	S	95.4	Very high	95.8	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	10%	0.103	C	C	.	.			trans	-142.3	141.9	-175.3	-179.5	0	0	0	0	111.1	F256 G260 T264 A341 T345	F256-S258 PolarHBondContact O-N 2.95Å; S258-G260 PolarHBondContact OG-N 2.84Å; S258-G260 VanDerWaalsContact OG-N 3.09Å; S258-T264 WeakPolarHBondContact CB-O 3.46Å; S258-T264 PolarHBondContact OG-O 2.87Å; S258-A341 CarbonylContact O-C 3.6Å; S258-T345 PolarHBondContact N-OG1 3.2Å; S258-T345 WeakPolarHBondContact O-CB 3.41Å; S258-T345 PolarHBondContact O-OG1 2.99Å
259	M	94.4	Very high	95.8	Very high	23 Å²	23	17.7 Å²	17.7	11%	0.113	10%	0.103	C	C	.	.			trans	-86.6	10.2	171	-69.4	-63.2	-170.5	0	0	112.8	D261 T264 Y342 T345 V359 W363	M259-D261 PolarHBondContact O-N 2.88Å; M259-T264 PolarHBondContact N-OG1 3.18Å; M259-Y342 WeakPolarHBondContact O-CD2 3.38Å; M259-Y342 HydrophobicContact SD-CD2 4.09Å; M259-Y342 HydrophobicContact SD-CE2 4.2Å; M259-T345 HydrophobicContact CE-CG2 3.75Å; M259-T345 HydrophobicContact SD-CG2 3.79Å; M259-V359 HydrophobicContact CE-CG1 3.63Å; M259-V359 HydrophobicContact CG-CG1 4.37Å; M259-V359 HydrophobicContact SD-CG1 3.51Å; M259-V359 VanDerWaalsContact SD-CG1 3.51Å; M259-W363 HydrophobicContact CE-CB 3.89Å; M259-W363 HydrophobicContact CE-CD2 4.41Å; M259-W363 HydrophobicContact CE-CE3 3.63Å; M259-W363 HydrophobicContact CG-CE3 3.75Å; M259-W363 HydrophobicContact CG-CZ3 3.92Å; M259-W363 HydrophobicContact SD-CE3 4.42Å
260	G	91.9	Very high	95.8	Very high	22 Å²	22	19.1 Å²	19.1	23%	0.227	11%	0.11	C	C	.	.	S	Bend	trans	69.5	17.4	-177.6	0	0	0	0	0	113.4	S258 T338	S258-G260 PolarHBondContact OG-N 2.84Å; S258-G260 VanDerWaalsContact OG-N 3.09Å; G260-T338 WeakPolarHBondContact CA-O 3.42Å
261	D	92.9	Very high	95.8	Very high	61 Å²	61	18.9 Å²	18.9	33%	0.326	11%	0.109	S	C	.	.	S	Bend	trans	-101	-178.5	174.7	68.5	21.6	0	0	0	111.4	M259 S263 T264	M259-D261 PolarHBondContact O-N 2.88Å; D261-S263 VanDerWaalsContact C-N 3.31Å; D261-S263 PolarHBondContact OD1-N 2.65Å; D261-S263 PolarHBondContact OD1-OG 2.82Å; D261-S263 VanDerWaalsContact OD1-OG 3.07Å; D261-S263 PolarHBondContact OD2-OG 3.39Å; D261-S263 VanDerWaalsContact OD2-OG 3.07Å; D261-T264 WeakPolarHBondContact OD1-CB 3.42Å; D261-T264 PolarHBondContact OD1-N 2.77Å; D261-T264 PolarHBondContact OD1-OG1 3.07Å
262	H	93.5	Very high	95.9	Very high	133 Å²	133	18.9 Å²	18.9	62%	0.616	11%	0.109	S	C	*	.	S	Bend	trans	-83.5	-3.1	179.2	-61.6	-61.8	0	0	0	113.9	D390 N392	H262-D390 WeakPolarHBondContact CA-O 3.4Å; H262-D390 PolarHBondContact ND1-O 2.9Å; H262-N392 PolarHBondContact O-ND2 3.07Å
263	S	91.5	Very high	96.1	Very high	91 Å²	91	19.2 Å²	19.2	64%	0.636	11%	0.11	S	C	*	.	S	Bend	trans	-111.4	-14.4	-171	50.4	0	0	0	0	114.7	D261	D261-S263 VanDerWaalsContact C-N 3.31Å; D261-S263 PolarHBondContact OD1-N 2.65Å; D261-S263 PolarHBondContact OD1-OG 2.82Å; D261-S263 VanDerWaalsContact OD1-OG 3.07Å; D261-S263 PolarHBondContact OD2-OG 3.39Å; D261-S263 VanDerWaalsContact OD2-OG 3.07Å
264	T	94.3	Very high	96.2	Very high	16 Å²	16	19.7 Å²	19.7	10%	0.098	11%	0.112	C	C	.	.	S	Bend	trans	-123.8	144.9	-173.3	59.3	0	0	0	0	112.4	S258 M259 D261 Y267 W363	S258-T264 WeakPolarHBondContact CB-O 3.46Å; S258-T264 PolarHBondContact OG-O 2.87Å; M259-T264 PolarHBondContact N-OG1 3.18Å; D261-T264 WeakPolarHBondContact OD1-CB 3.42Å; D261-T264 PolarHBondContact OD1-N 2.77Å; D261-T264 PolarHBondContact OD1-OG1 3.07Å; T264-Y267 WeakPolarHBondContact CA-OH 3.17Å; T264-W363 HydrophobicContact CG2-CH2 3.56Å; T264-W363 HydrophobicContact CG2-CZ2 4.05Å; T264-W363 HydrophobicContact CG2-CZ3 3.84Å
265	G	95.3	Very high	96.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	99.7	-179.7	-177.4	0	0	0	0	0	113.6	L257 Y267	L257-G265 WeakPolarHBondContact O-CA 3.33Å; L257-G265 PolarHBondContact O-N 3.2Å; G265-Y267 PolarHBondContact O-N 2.9Å
266	N	97.8	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.			trans	54.9	20.7	179.7	-64.4	-26.6	0	0	0	115.5	G268 L269 M270 P387 V388 D390	N266-G268 VanDerWaalsContact C-N 3.27Å; N266-G268 PolarHBondContact O-N 3.39Å; N266-L269 HydrophobicContact CB-CB 4.44Å; N266-L269 HydrophobicContact CB-CD1 4.28Å; N266-L269 PolarHBondContact O-N 3.26Å; N266-M270 HydrophobicContact CB-CE 4.37Å; N266-M270 WeakPolarHBondContact O-CG 3.29Å; N266-M270 PolarHBondContact O-N 3.42Å; N266-P387 WeakPolarHBondContact OD1-CA 3.47Å; N266-V388 PolarHBondContact ND2-O 3.06Å; N266-V388 PolarHBondContact OD1-N 3.38Å; N266-V388 PolarHBondContact OD1-O 3.42Å; N266-D390 PolarHBondContact ND2-OD2 3.49Å
267	Y	98.3	Very high	96.5	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-38.8	178.8	-54.1	-58.1	0	0	0	111.9	F148 H149 G255 T264 G265 L269 M270 D271 W363	F148-Y267 HydrophobicContact CB-CE2 4.01Å; F148-Y267 HydrophobicContact CD1-CE2 4.5Å; F148-Y267 VanDerWaalsContact O-CZ 3.3Å; F148-Y267 PolarHBondContact O-OH 3.37Å; F148-Y267 VanDerWaalsContact O-OH 3.06Å; H149-Y267 VanDerWaalsContact C-CD1 3.49Å; G255-Y267 WeakPolarHBondContact O-CA 3.38Å; G255-Y267 WeakPolarHBondContact O-CB 3.46Å; G255-Y267 PolarHBondContact O-N 3.5Å; T264-Y267 WeakPolarHBondContact CA-OH 3.17Å; G265-Y267 PolarHBondContact O-N 2.9Å; Y267-L269 VanDerWaalsContact C-N 3.32Å; Y267-L269 PolarHBondContact O-N 3.26Å; Y267-M270 HydrophobicContact CD1-SD 4.41Å; Y267-M270 PolarHBondContact O-N 3.04Å; Y267-D271 PolarHBondContact O-N 2.98Å; Y267-W363 HydrophobicContact CE2-CH2 4.36Å; Y267-W363 WeakPolarHBondContact OH-CH2 3.45Å
268	G	98.4	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-34.8	174.3	0	0	0	0	0	113.5	G255 N266 D271 Q272	G255-G268 PolarHBondContact O-N 3.33Å; N266-G268 VanDerWaalsContact C-N 3.27Å; N266-G268 PolarHBondContact O-N 3.39Å; G268-D271 WeakPolarHBondContact O-CB 3.36Å; G268-D271 PolarHBondContact O-N 3.49Å; G268-Q272 WeakPolarHBondContact O-CG 3.31Å; G268-Q272 PolarHBondContact O-N 3.36Å
269	L	98.7	Very high	96.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-74.2	-35.6	173.9	-64.6	178.2	0	0	0	112.1	F256 N266 Y267 D271 Q272 N273 S304 L307 P387 F393 V394	F256-L269 HydrophobicContact CE1-CG 4.18Å; N266-L269 HydrophobicContact CB-CB 4.44Å; N266-L269 HydrophobicContact CB-CD1 4.28Å; N266-L269 PolarHBondContact O-N 3.26Å; Y267-L269 VanDerWaalsContact C-N 3.32Å; Y267-L269 PolarHBondContact O-N 3.26Å; L269-D271 VanDerWaalsContact C-N 3.3Å; L269-Q272 PolarHBondContact O-N 3.32Å; L269-N273 WeakPolarHBondContact O-CB 3.46Å; L269-N273 PolarHBondContact O-N 3.05Å; L269-S304 VanDerWaalsContact CD2-OG 3.31Å; L269-S304 WeakPolarHBondContact CD2-OG 3.4Å; L269-L307 HydrophobicContact CD1-CD1 3.78Å; L269-L307 HydrophobicContact CD2-CD1 4.28Å; L269-P387 HydrophobicContact CD1-CB 4.03Å; L269-P387 HydrophobicContact CD1-CG 4.22Å; L269-F393 HydrophobicContact CB-CD1 4.03Å; L269-F393 HydrophobicContact CB-CE1 3.66Å; L269-F393 HydrophobicContact CB-CZ 3.94Å; L269-F393 HydrophobicContact CD1-CD1 3.96Å; L269-F393 HydrophobicContact CD1-CE1 4Å; L269-F393 HydrophobicContact CG-CE1 4.36Å; L269-V394 HydrophobicContact CD1-CG2 4.11Å
270	M	98.6	Very high	97	Very high	32 Å²	32	23 Å²	23	16%	0.158	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-34.6	174	-63.2	173.3	-170.7	0	0	111.3	P150 P151 N266 Y267 N273 L274 F393	P150-M270 HydrophobicContact CB-SD 3.78Å; P150-M270 HydrophobicContact CG-SD 3.85Å; P151-M270 HydrophobicContact CG-CB 4.06Å; P151-M270 WeakPolarHBondContact CG-O 3.48Å; N266-M270 HydrophobicContact CB-CE 4.37Å; N266-M270 WeakPolarHBondContact O-CG 3.29Å; N266-M270 PolarHBondContact O-N 3.42Å; Y267-M270 HydrophobicContact CD1-SD 4.41Å; Y267-M270 PolarHBondContact O-N 3.04Å; M270-N273 PolarHBondContact O-N 3.33Å; M270-L274 PolarHBondContact O-N 2.88Å; M270-F393 HydrophobicContact CG-CD2 4.09Å; M270-F393 HydrophobicContact CG-CE2 4.47Å
271	D	98.8	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-49	171.8	-66.3	-20.1	0	0	0	110.6	P151 L196 R250 Y267 G268 L269 N273 L274 V275	P151-D271 VanDerWaalsContact CB-OD1 3.25Å; P151-D271 WeakPolarHBondContact CB-OD1 3.49Å; P151-D271 WeakPolarHBondContact CG-OD1 3.47Å; L196-D271 HydrophobicContact CD2-CB 4.33Å; L196-D271 WeakPolarHBondContact CD2-OD2 3.29Å; R250-D271 WeakPolarHBondContact CB-OD2 3.48Å; R250-D271 WeakPolarHBondContact CG-OD2 3.46Å; R250-D271 IonicContact CZ-OD1 3.71Å; R250-D271 IonicContact CZ-OD2 2.75Å; R250-D271 PolarHBondContact N-OD2 3.29Å; R250-D271 IonicContact NE-OD1 3.84Å; R250-D271 PolarHBondContact NE-OD1 3.47Å; R250-D271 IonicContact NE-OD2 2.8Å; R250-D271 PolarHBondContact NE-OD2 3.29Å; R250-D271 IonicContact NH2-OD1 3.77Å; R250-D271 PolarHBondContact NH2-OD1 3.46Å; R250-D271 IonicContact NH2-OD2 3.97Å; Y267-D271 PolarHBondContact O-N 2.98Å; G268-D271 WeakPolarHBondContact O-CB 3.36Å; G268-D271 PolarHBondContact O-N 3.49Å; L269-D271 VanDerWaalsContact C-N 3.3Å; D271-N273 PolarHBondContact O-N 2.86Å; D271-L274 PolarHBondContact O-N 3.48Å; D271-V275 WeakPolarHBondContact O-CG2 3.38Å; D271-V275 PolarHBondContact O-N 3.02Å
272	Q	98.8	Very high	97.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-40.6	176.1	-65.8	171.8	3.6	0	0	112.1	F219 Y249 G268 L269 L274 V275 L276 S304 H308	F219-Q272 HydrophobicContact CD1-CB 4.12Å; F219-Q272 HydrophobicContact CD1-CG 3.64Å; F219-Q272 HydrophobicContact CE1-CB 3.57Å; F219-Q272 HydrophobicContact CE1-CG 3.61Å; F219-Q272 HydrophobicContact CE2-CB 4.33Å; F219-Q272 HydrophobicContact CG-CG 4.24Å; F219-Q272 HydrophobicContact CZ-CB 3.69Å; F219-Q272 HydrophobicContact CZ-CG 4.17Å; Y249-Q272 HydrophobicContact CD1-CG 3.89Å; Y249-Q272 VanDerWaalsContact CD1-NE2 3.27Å; Y249-Q272 HydrophobicContact CD2-CG 4.46Å; Y249-Q272 VanDerWaalsContact CD2-NE2 3.3Å; Y249-Q272 VanDerWaalsContact CE1-NE2 3.26Å; Y249-Q272 VanDerWaalsContact CE2-NE2 3.28Å; Y249-Q272 HydrophobicContact CG-CG 3.81Å; Y249-Q272 VanDerWaalsContact CG-NE2 3.3Å; Y249-Q272 VanDerWaalsContact CZ-NE2 3.27Å; G268-Q272 WeakPolarHBondContact O-CG 3.31Å; G268-Q272 PolarHBondContact O-N 3.36Å; L269-Q272 PolarHBondContact O-N 3.32Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; Q272-L274 PolarHBondContact O-N 3.32Å; Q272-V275 WeakPolarHBondContact O-CB 3.23Å; Q272-V275 PolarHBondContact O-N 3.09Å; Q272-L276 WeakPolarHBondContact O-CG 3.37Å; Q272-L276 PolarHBondContact O-N 3.5Å; Q272-L276 VanDerWaalsContact O-N 3.09Å; Q272-S304 VanDerWaalsContact CD-OG 3.27Å; Q272-S304 PolarHBondContact NE2-OG 3.06Å; Q272-S304 PolarHBondContact OE1-OG 3.12Å; Q272-H308 VanDerWaalsContact CB-NE2 3.3Å; Q272-H308 WeakPolarHBondContact CB-NE2 3.24Å; Q272-H308 PolarHBondContact OE1-NE2 3.39Å
273	N	98.8	Very high	97.7	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.059	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-42.3	175	177.5	-96.1	0	0	0	111.8	L269 M270 D271 V275 L276 E277 M313 S314 F393	L269-N273 WeakPolarHBondContact O-CB 3.46Å; L269-N273 PolarHBondContact O-N 3.05Å; M270-N273 PolarHBondContact O-N 3.33Å; D271-N273 PolarHBondContact O-N 2.86Å; N273-V275 VanDerWaalsContact C-N 3.3Å; N273-V275 PolarHBondContact O-N 2.94Å; N273-L276 WeakPolarHBondContact O-CB 3.24Å; N273-L276 PolarHBondContact O-N 2.97Å; N273-E277 PolarHBondContact O-N 3.12Å; N273-M313 PolarHBondContact ND2-O 3.3Å; N273-S314 PolarHBondContact ND2-OG 2.91Å; N273-F393 HydrophobicContact CB-CE2 3.7Å; N273-F393 HydrophobicContact CB-CZ 4.04Å
274	L	98.7	Very high	97.8	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.063	9%	0.087	C	C	.	.	H	α-helix	trans	-65.9	-32.2	176.2	-178.2	58.2	0	0	0	112.2	Y138 A139 P151 K153 M270 D271 Q272 L276 E277 W278	Y138-L274 HydrophobicContact CD2-CD2 4.18Å; Y138-L274 HydrophobicContact CD2-CG 4.16Å; A139-L274 HydrophobicContact CB-CD2 3.73Å; P151-L274 HydrophobicContact CB-CD2 3.76Å; P151-L274 HydrophobicContact CG-CB 4.17Å; P151-L274 HydrophobicContact CG-CD2 4.04Å; K153-L274 HydrophobicContact CD-CD1 4.3Å; K153-L274 HydrophobicContact CG-CD1 3.77Å; M270-L274 PolarHBondContact O-N 2.88Å; D271-L274 PolarHBondContact O-N 3.48Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; Q272-L274 PolarHBondContact O-N 3.32Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-E277 HydrophobicContact CD1-CB 4.43Å; L274-E277 WeakPolarHBondContact CD1-OE2 3.28Å; L274-E277 PolarHBondContact O-N 2.93Å; L274-W278 WeakPolarHBondContact O-CB 3.13Å; L274-W278 PolarHBondContact O-N 2.8Å
275	V	98.8	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-43.3	169.4	173.2	0	0	0	0	110.6	Y138 L198 V217 F219 V245 A247 D271 Q272 N273 W278 V279	Y138-V275 HydrophobicContact CD1-CG2 3.87Å; Y138-V275 HydrophobicContact CD2-CG2 3.88Å; Y138-V275 HydrophobicContact CE1-CG2 3.66Å; Y138-V275 HydrophobicContact CE2-CG2 3.7Å; Y138-V275 HydrophobicContact CG-CG2 3.96Å; L198-V275 HydrophobicContact CD2-CG1 4.25Å; V217-V275 HydrophobicContact CG1-CG1 4.01Å; F219-V275 HydrophobicContact CE1-CB 4.49Å; F219-V275 HydrophobicContact CE1-CG1 4.46Å; V245-V275 HydrophobicContact CG1-CG1 4.43Å; A247-V275 HydrophobicContact CB-CB 4.36Å; A247-V275 HydrophobicContact CB-CG1 3.88Å; A247-V275 HydrophobicContact CB-CG2 3.61Å; D271-V275 WeakPolarHBondContact O-CG2 3.38Å; D271-V275 PolarHBondContact O-N 3.02Å; Q272-V275 WeakPolarHBondContact O-CB 3.23Å; Q272-V275 PolarHBondContact O-N 3.09Å; N273-V275 VanDerWaalsContact C-N 3.3Å; N273-V275 PolarHBondContact O-N 2.94Å; V275-W278 WeakPolarHBondContact O-CB 3.32Å; V275-W278 PolarHBondContact O-N 3.05Å; V275-V279 VanDerWaalsContact O-CG2 3.31Å; V275-V279 WeakPolarHBondContact O-CG2 3.24Å; V275-V279 PolarHBondContact O-N 2.96Å
276	L	98.8	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.7	-41.6	177.5	-60	176.7	0	0	0	112.1	V217 F219 Q272 N273 L274 W278 V279 Q280 I295 L317 F318	V217-L276 HydrophobicContact CB-CD2 4.25Å; V217-L276 HydrophobicContact CG1-CD2 4.01Å; V217-L276 HydrophobicContact CG2-CD2 4.34Å; F219-L276 HydrophobicContact CE2-CD2 4.34Å; F219-L276 HydrophobicContact CZ-CD2 4Å; F219-L276 HydrophobicContact CZ-CG 4.18Å; Q272-L276 WeakPolarHBondContact O-CG 3.37Å; Q272-L276 PolarHBondContact O-N 3.5Å; Q272-L276 VanDerWaalsContact O-N 3.09Å; N273-L276 WeakPolarHBondContact O-CB 3.24Å; N273-L276 PolarHBondContact O-N 2.97Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L276-W278 VanDerWaalsContact C-N 3.33Å; L276-V279 PolarHBondContact O-N 3.43Å; L276-Q280 WeakPolarHBondContact O-CG 3.41Å; L276-Q280 PolarHBondContact O-N 3.25Å; L276-I295 HydrophobicContact CD1-CG2 4.26Å; L276-I295 HydrophobicContact CD2-CG2 3.4Å; L276-I295 VanDerWaalsContact CD2-CG2 3.4Å; L276-I295 HydrophobicContact CG-CG2 4.48Å; L276-L317 HydrophobicContact CB-CB 4.02Å; L276-L317 HydrophobicContact CB-CD1 3.78Å; L276-L317 HydrophobicContact CB-CG 4.49Å; L276-L317 HydrophobicContact CD1-CB 4.49Å; L276-L317 HydrophobicContact CD1-CD1 4.44Å; L276-F318 HydrophobicContact CD1-CD1 4.17Å; L276-F318 HydrophobicContact CD1-CE1 4.49Å
277	E	98.6	Very high	97.8	Very high	48 Å²	48	18.8 Å²	18.8	22%	0.224	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-41	172.4	-67.1	-172.3	139.8	0	0	111.8	K153 N273 L274 V279 Q280 N281 L317	K153-E277 WeakPolarHBondContact CE-OE2 3.13Å; K153-E277 IonicContact NZ-OE1 3.59Å; K153-E277 PolarHBondContact NZ-OE1 3.36Å; K153-E277 VanDerWaalsContact NZ-OE1 3.12Å; K153-E277 IonicContact NZ-OE2 3.33Å; K153-E277 PolarHBondContact NZ-OE2 3.41Å; N273-E277 PolarHBondContact O-N 3.12Å; L274-E277 HydrophobicContact CD1-CB 4.43Å; L274-E277 WeakPolarHBondContact CD1-OE2 3.28Å; L274-E277 PolarHBondContact O-N 2.93Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-V279 PolarHBondContact O-N 3.49Å; E277-Q280 PolarHBondContact O-N 3.35Å; E277-N281 WeakPolarHBondContact O-CB 3.48Å; E277-N281 PolarHBondContact O-N 3.04Å; E277-N281 PolarHBondContact O-ND2 2.71Å; E277-L317 HydrophobicContact CG-CD1 4.12Å; E277-L317 HydrophobicContact CG-CD2 4.37Å
278	W	98.5	Very high	97.7	Very high	9 Å²	9	18.6 Å²	18.6	3%	0.034	9%	0.088	C	C	.	.	H	α-helix	trans	-60.7	-44.1	175.8	-175.6	101.1	0	0	0	110.9	I83 I136 L198 V200 L274 V275 L276 N281 Y282 I283 F286	I83-W278 HydrophobicContact CD1-CZ2 4.33Å; I136-W278 HydrophobicContact CD1-CH2 4.36Å; I136-W278 HydrophobicContact CD1-CZ2 4.44Å; I136-W278 HydrophobicContact CG2-CZ2 4Å; L198-W278 HydrophobicContact CD1-CE3 4.28Å; L198-W278 HydrophobicContact CD1-CH2 3.92Å; L198-W278 HydrophobicContact CD1-CZ2 4.26Å; L198-W278 HydrophobicContact CD1-CZ3 3.92Å; L198-W278 HydrophobicContact CD2-CD2 3.68Å; L198-W278 HydrophobicContact CD2-CE3 3.64Å; L198-W278 HydrophobicContact CD2-CG 4.07Å; L198-W278 HydrophobicContact CD2-CZ3 4.13Å; V200-W278 HydrophobicContact CG2-CH2 3.97Å; V200-W278 HydrophobicContact CG2-CZ3 4.07Å; L274-W278 WeakPolarHBondContact O-CB 3.13Å; L274-W278 PolarHBondContact O-N 2.8Å; V275-W278 WeakPolarHBondContact O-CB 3.32Å; V275-W278 PolarHBondContact O-N 3.05Å; L276-W278 VanDerWaalsContact C-N 3.33Å; W278-N281 PolarHBondContact O-N 3.49Å; W278-Y282 HydrophobicContact CB-CD2 4.45Å; W278-Y282 AromaticContact CD1-CD2 3.5Å; W278-Y282 AromaticContact CD1-CE2 3.74Å; W278-Y282 AromaticContact CD2-CD2 3.86Å; W278-Y282 HydrophobicContact CD2-CD2 3.86Å; W278-Y282 AromaticContact CE2-CD2 3.71Å; W278-Y282 AromaticContact CG-CD2 3.71Å; W278-Y282 HydrophobicContact CG-CD2 3.71Å; W278-Y282 HydrophobicContact CG-CE2 4.24Å; W278-Y282 HydrophobicContact CZ2-CD2 4.44Å; W278-Y282 AromaticContact NE1-CD2 3.49Å; W278-Y282 AromaticContact NE1-CE2 3.98Å; W278-Y282 VanDerWaalsContact O-CD2 3.28Å; W278-Y282 WeakPolarHBondContact O-CD2 3.43Å; W278-Y282 PolarHBondContact O-N 3.48Å; W278-I283 HydrophobicContact CZ3-CD1 4.29Å; W278-F286 HydrophobicContact CH2-CD2 4.4Å; W278-F286 AromaticContact CH2-CE2 3.58Å; W278-F286 HydrophobicContact CH2-CE2 3.58Å; W278-F286 HydrophobicContact CH2-CZ 4.04Å; W278-F286 HydrophobicContact CZ2-CE2 4.27Å; W278-F286 HydrophobicContact CZ3-CE2 4.47Å
279	V	98.6	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-49.5	176.6	168.2	0	0	0	0	110.3	V215 V217 V245 V275 L276 E277 N281 Y282 I283 V293	V215-V279 HydrophobicContact CG1-CG1 4.06Å; V217-V279 HydrophobicContact CG2-CB 4.45Å; V217-V279 HydrophobicContact CG2-CG1 4.13Å; V217-V279 HydrophobicContact CG2-CG2 3.87Å; V245-V279 HydrophobicContact CB-CG2 4.48Å; V245-V279 HydrophobicContact CG1-CG2 4.15Å; V245-V279 HydrophobicContact CG2-CG2 4.17Å; V275-V279 VanDerWaalsContact O-CG2 3.31Å; V275-V279 WeakPolarHBondContact O-CG2 3.24Å; V275-V279 PolarHBondContact O-N 2.96Å; L276-V279 PolarHBondContact O-N 3.43Å; E277-V279 VanDerWaalsContact C-N 3.33Å; E277-V279 PolarHBondContact O-N 3.49Å; V279-N281 PolarHBondContact O-N 3.47Å; V279-Y282 PolarHBondContact O-N 3.25Å; V279-I283 HydrophobicContact CG1-CB 3.94Å; V279-I283 HydrophobicContact CG1-CG1 4.24Å; V279-I283 HydrophobicContact CG1-CG2 3.99Å; V279-I283 WeakPolarHBondContact O-CB 3.33Å; V279-I283 WeakPolarHBondContact O-CG2 3.39Å; V279-I283 PolarHBondContact O-N 2.87Å; V279-V293 HydrophobicContact CG1-CG1 4.31Å; V279-V293 HydrophobicContact CG1-CG2 3.81Å
280	Q	98.3	Very high	97.6	Very high	42 Å²	42	22.7 Å²	22.7	20%	0.196	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-38.9	177.2	-74.6	-61.5	-33.5	0	0	112.5	L276 E277 F290 L317	L276-Q280 WeakPolarHBondContact O-CG 3.41Å; L276-Q280 PolarHBondContact O-N 3.25Å; E277-Q280 PolarHBondContact O-N 3.35Å; Q280-F290 PolarHBondContact NE2-O 3.37Å; Q280-F290 PolarHBondContact OE1-O 3.23Å; Q280-L317 HydrophobicContact CG-CB 4.49Å; Q280-L317 HydrophobicContact CG-CD2 3.94Å; Q280-L317 PolarHBondContact NE2-O 2.82Å
281	N	97.4	Very high	97.5	Very high	82 Å²	82	25.1 Å²	25.1	44%	0.439	12%	0.12	S	C	.	.	H	α-helix	trans	-81.8	-25.4	-176.4	-73.2	-54	0	0	0	114.6	E277 W278 V279 Y284	E277-N281 WeakPolarHBondContact O-CB 3.48Å; E277-N281 PolarHBondContact O-N 3.04Å; E277-N281 PolarHBondContact O-ND2 2.71Å; W278-N281 PolarHBondContact O-N 3.49Å; V279-N281 PolarHBondContact O-N 3.47Å; N281-Y284 WeakPolarHBondContact O-CE1 3.35Å
282	Y	97	Very high	97.4	Very high	27 Å²	27	30.4 Å²	30.4	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-134.5	-13.8	-166.2	-53.6	-55.4	0	0	0	115.5	I83 Q84 L85 W278 V279 Y284 A285	I83-Y282 HydrophobicContact CB-CD1 4.07Å; I83-Y282 HydrophobicContact CD1-CD1 4.16Å; I83-Y282 HydrophobicContact CD1-CD2 4.32Å; I83-Y282 HydrophobicContact CD1-CG 3.97Å; I83-Y282 HydrophobicContact CG2-CD1 4.49Å; Q84-Y282 HydrophobicContact CB-CE1 4.06Å; Q84-Y282 HydrophobicContact CG-CE1 4.41Å; L85-Y282 HydrophobicContact CD1-CE2 4Å; L85-Y282 HydrophobicContact CG-CE2 4.29Å; W278-Y282 HydrophobicContact CB-CD2 4.45Å; W278-Y282 AromaticContact CD1-CD2 3.5Å; W278-Y282 AromaticContact CD1-CE2 3.74Å; W278-Y282 AromaticContact CD2-CD2 3.86Å; W278-Y282 HydrophobicContact CD2-CD2 3.86Å; W278-Y282 AromaticContact CE2-CD2 3.71Å; W278-Y282 AromaticContact CG-CD2 3.71Å; W278-Y282 HydrophobicContact CG-CD2 3.71Å; W278-Y282 HydrophobicContact CG-CE2 4.24Å; W278-Y282 HydrophobicContact CZ2-CD2 4.44Å; W278-Y282 AromaticContact NE1-CD2 3.49Å; W278-Y282 AromaticContact NE1-CE2 3.98Å; W278-Y282 VanDerWaalsContact O-CD2 3.28Å; W278-Y282 WeakPolarHBondContact O-CD2 3.43Å; W278-Y282 PolarHBondContact O-N 3.48Å; V279-Y282 PolarHBondContact O-N 3.25Å; Y282-Y284 PolarHBondContact O-N 3.42Å; Y282-Y284 VanDerWaalsContact O-N 3.11Å; Y282-A285 WeakPolarHBondContact O-CB 3.33Å; Y282-A285 PolarHBondContact O-N 3.33Å
283	I	97.2	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-64.7	-23.3	-172.3	-155.2	64.8	0	0	0	113.4	V200 V215 V243 V245 W278 V279 A285 F286 G288 F290	V200-I283 HydrophobicContact CG1-CD1 4.21Å; V215-I283 HydrophobicContact CG1-CD1 4.48Å; V215-I283 HydrophobicContact CG1-CG1 4Å; V215-I283 HydrophobicContact CG2-CG1 3.87Å; V215-I283 HydrophobicContact CG2-CG2 4.14Å; V243-I283 HydrophobicContact CG1-CD1 3.78Å; V243-I283 HydrophobicContact CG1-CG1 4.15Å; V245-I283 HydrophobicContact CG2-CD1 3.66Å; W278-I283 HydrophobicContact CZ3-CD1 4.29Å; V279-I283 HydrophobicContact CG1-CB 3.94Å; V279-I283 HydrophobicContact CG1-CG1 4.24Å; V279-I283 HydrophobicContact CG1-CG2 3.99Å; V279-I283 WeakPolarHBondContact O-CB 3.33Å; V279-I283 WeakPolarHBondContact O-CG2 3.39Å; V279-I283 PolarHBondContact O-N 2.87Å; I283-A285 PolarHBondContact O-N 3.48Å; I283-A285 VanDerWaalsContact O-N 3.17Å; I283-F286 HydrophobicContact CD1-CB 4.48Å; I283-F286 HydrophobicContact CD1-CD2 4.32Å; I283-F286 CarbonylContact O-C 3.44Å; I283-F286 WeakPolarHBondContact O-CA 3.37Å; I283-F286 PolarHBondContact O-N 2.92Å; I283-G288 PolarHBondContact O-N 3.36Å; I283-F290 HydrophobicContact CG2-CB 4.07Å
284	Y	94.7	Very high	97.4	Very high	105 Å²	105	30 Å²	30	41%	0.412	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-58.5	-27.5	174.4	72.6	-99.9	0	0	0	112.7	N281 Y282 F286 N287 G288	N281-Y284 WeakPolarHBondContact O-CE1 3.35Å; Y282-Y284 PolarHBondContact O-N 3.42Å; Y282-Y284 VanDerWaalsContact O-N 3.11Å; Y284-F286 PolarHBondContact O-N 2.95Å; Y284-N287 PolarHBondContact O-N 3.15Å; Y284-G288 WeakPolarHBondContact CA-O 3.41Å
285	A	95	Very high	97.4	Very high	10 Å²	10	29.4 Å²	29.4	8%	0.083	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-71	-16.1	177.6	0	0	0	0	0	112.7	V81 I83 Y282 I283	V81-A285 HydrophobicContact CG1-CB 3.64Å; I83-A285 HydrophobicContact CG2-CB 3.54Å; Y282-A285 WeakPolarHBondContact O-CB 3.33Å; Y282-A285 PolarHBondContact O-N 3.33Å; I283-A285 PolarHBondContact O-N 3.48Å; I283-A285 VanDerWaalsContact O-N 3.17Å
286	F	96.1	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-106.3	22.6	176.3	-55.8	-92.8	0	0	0	111.5	V81 I88 F133 I136 V200 T202 Q204 W278 I283 Y284 G288	V81-F286 HydrophobicContact CB-CE1 4.29Å; V81-F286 HydrophobicContact CG1-CD1 4.45Å; V81-F286 HydrophobicContact CG1-CE1 4.11Å; V81-F286 HydrophobicContact CG1-CE2 4.31Å; V81-F286 HydrophobicContact CG1-CZ 4.05Å; V81-F286 HydrophobicContact CG2-CD1 4.36Å; V81-F286 HydrophobicContact CG2-CE1 4.3Å; I88-F286 HydrophobicContact CD1-CZ 3.93Å; F133-F286 HydrophobicContact CB-CE1 4.37Å; F133-F286 AromaticContact CD1-CE1 3.96Å; F133-F286 HydrophobicContact CD1-CE1 3.96Å; F133-F286 AromaticContact CD2-CD1 3.68Å; F133-F286 HydrophobicContact CD2-CD1 3.68Å; F133-F286 AromaticContact CD2-CE1 3.54Å; F133-F286 HydrophobicContact CD2-CE1 3.54Å; F133-F286 HydrophobicContact CE1-CE1 4.09Å; F133-F286 AromaticContact CE2-CD1 3.59Å; F133-F286 HydrophobicContact CE2-CD1 3.59Å; F133-F286 AromaticContact CE2-CE1 3.71Å; F133-F286 HydrophobicContact CE2-CE1 3.71Å; F133-F286 HydrophobicContact CG-CD1 4.31Å; F133-F286 AromaticContact CG-CE1 3.69Å; F133-F286 HydrophobicContact CG-CE1 3.69Å; F133-F286 HydrophobicContact CZ-CD1 4.13Å; F133-F286 AromaticContact CZ-CE1 3.98Å; F133-F286 HydrophobicContact CZ-CE1 3.98Å; I136-F286 HydrophobicContact CD1-CE1 4.45Å; I136-F286 HydrophobicContact CD1-CZ 4.09Å; V200-F286 HydrophobicContact CB-CD1 4.29Å; V200-F286 HydrophobicContact CB-CE1 4.35Å; V200-F286 HydrophobicContact CG1-CB 4.06Å; V200-F286 HydrophobicContact CG1-CD1 3.76Å; V200-F286 HydrophobicContact CG1-CD2 4.5Å; V200-F286 HydrophobicContact CG1-CE1 4.31Å; V200-F286 HydrophobicContact CG1-CG 3.86Å; T202-F286 HydrophobicContact CG2-CB 4.21Å; T202-F286 PolarHBondContact OG1-O 2.91Å; Q204-F286 CarbonylContact O-C 3.53Å; W278-F286 HydrophobicContact CH2-CD2 4.4Å; W278-F286 AromaticContact CH2-CE2 3.58Å; W278-F286 HydrophobicContact CH2-CE2 3.58Å; W278-F286 HydrophobicContact CH2-CZ 4.04Å; W278-F286 HydrophobicContact CZ2-CE2 4.27Å; W278-F286 HydrophobicContact CZ3-CE2 4.47Å; I283-F286 HydrophobicContact CD1-CB 4.48Å; I283-F286 HydrophobicContact CD1-CD2 4.32Å; I283-F286 CarbonylContact O-C 3.44Å; I283-F286 WeakPolarHBondContact O-CA 3.37Å; I283-F286 PolarHBondContact O-N 2.92Å; Y284-F286 PolarHBondContact O-N 2.95Å; F286-G288 PolarHBondContact O-N 3.21Å; F286-G288 VanDerWaalsContact O-N 3.12Å
287	N	95.7	Very high	97.4	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.064	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	20.3	-172.8	-69.4	72.5	0	0	0	114.5	Q204 V205 S206 V209 T211 K212 Y213 Y284	Q204-N287 HydrophobicContact CB-CB 4.31Å; Q204-N287 WeakPolarHBondContact O-CB 3.08Å; Q204-N287 PolarHBondContact O-OD1 3.11Å; V205-N287 VanDerWaalsContact C-OD1 3.28Å; V205-N287 VanDerWaalsContact CA-OD1 3.28Å; V205-N287 WeakPolarHBondContact CA-OD1 3.1Å; S206-N287 PolarHBondContact N-OD1 2.79Å; S206-N287 PolarHBondContact O-ND2 3.43Å; S206-N287 VanDerWaalsContact O-ND2 3.15Å; S206-N287 PolarHBondContact O-OD1 3.12Å; V209-N287 PolarHBondContact O-ND2 3.32Å; T211-N287 PolarHBondContact O-ND2 3.29Å; K212-N287 CarbonylContact C-O 3.58Å; K212-N287 WeakPolarHBondContact CA-O 3.38Å; Y213-N287 HydrophobicContact CD2-CB 4.11Å; Y213-N287 HydrophobicContact CE2-CB 4.39Å; Y213-N287 PolarHBondContact N-O 2.84Å; Y284-N287 PolarHBondContact O-N 3.15Å
288	G	97.2	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.5	171.9	0	0	0	0	0	112.2	Y213 I283 Y284 F286	Y213-G288 CarbonylContact O-C 3.36Å; I283-G288 PolarHBondContact O-N 3.36Å; Y284-G288 WeakPolarHBondContact CA-O 3.41Å; F286-G288 PolarHBondContact O-N 3.21Å; F286-G288 VanDerWaalsContact O-N 3.12Å
289	D	96.8	Very high	97.3	Very high	17 Å²	17	27.2 Å²	27.2	9%	0.091	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	104.5	173.6	-163.8	-1.6	0	0	0	110.1	K212 Y213 D291 R292	K212-D289 HydrophobicContact CB-CB 3.85Å; K212-D289 HydrophobicContact CD-CB 4.44Å; Y213-D289 WeakPolarHBondContact O-CB 2.91Å; Y213-D289 PolarHBondContact O-N 3.47Å; D289-D291 PolarHBondContact O-N 3.34Å; D289-D291 PolarHBondContact OD1-N 3Å; D289-R292 HydrophobicContact CB-CB 4.13Å; D289-R292 HydrophobicContact CB-CG 4.41Å; D289-R292 CarbonylContact O-C 3.48Å; D289-R292 PolarHBondContact O-N 3Å; D289-R292 WeakPolarHBondContact OD2-CD 3.15Å; D289-R292 WeakPolarHBondContact OD2-CG 3.16Å; D289-R292 IonicContact OD2-CZ 3.4Å; D289-R292 IonicContact OD2-NE 3.12Å
290	F	96.3	Very high	97.2	Very high	68 Å²	68	27.2 Å²	27.2	30%	0.298	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-21.3	179.6	68.8	-96.9	0	0	0	112.5	Q280 I283 R292 V293	Q280-F290 PolarHBondContact NE2-O 3.37Å; Q280-F290 PolarHBondContact OE1-O 3.23Å; I283-F290 HydrophobicContact CG2-CB 4.07Å; F290-R292 VanDerWaalsContact C-N 3.32Å; F290-V293 WeakPolarHBondContact O-CG2 3.28Å
291	D	96.8	Very high	97.2	Very high	84 Å²	84	25.2 Å²	25.2	45%	0.449	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-3.1	174.6	-77.1	-41.3	0	0	0	113.2	D289 K319	D289-D291 PolarHBondContact O-N 3.34Å; D289-D291 PolarHBondContact OD1-N 3Å; D291-K319 WeakPolarHBondContact O-CG 3.22Å
292	R	97.8	Very high	97.3	Very high	110 Å²	110	21.3 Å²	21.3	42%	0.415	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	50.5	177.2	-61.8	-177.9	-179.2	163.7	1.4	111.6	P214 V215 D289 F290	P214-R292 HydrophobicContact CB-CB 4.25Å; V215-R292 PolarHBondContact N-O 3.21Å; D289-R292 HydrophobicContact CB-CB 4.13Å; D289-R292 HydrophobicContact CB-CG 4.41Å; D289-R292 CarbonylContact O-C 3.48Å; D289-R292 PolarHBondContact O-N 3Å; D289-R292 WeakPolarHBondContact OD2-CD 3.15Å; D289-R292 WeakPolarHBondContact OD2-CG 3.16Å; D289-R292 IonicContact OD2-CZ 3.4Å; D289-R292 IonicContact OD2-NE 3.12Å; F290-R292 VanDerWaalsContact C-N 3.32Å
293	V	98.8	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.3	174.9	177.1	0	0	0	0	110	V215 V217 V279 F290 F318 K319 A320	V215-V293 HydrophobicContact CB-CG2 4.07Å; V215-V293 HydrophobicContact CG1-CG2 4.47Å; V215-V293 HydrophobicContact CG2-CG2 4.44Å; V217-V293 HydrophobicContact CG2-CG1 3.93Å; V279-V293 HydrophobicContact CG1-CG1 4.31Å; V279-V293 HydrophobicContact CG1-CG2 3.81Å; F290-V293 WeakPolarHBondContact O-CG2 3.28Å; V293-F318 HydrophobicContact CB-CB 4.45Å; V293-F318 HydrophobicContact CG1-CB 4.07Å; V293-K319 PolarHBondContact O-N 3.41Å; V293-A320 PolarHBondContact O-N 3.04Å
294	T	98.9	Very high	97.4	Very high	4 Å²	4	20 Å²	20	3%	0.025	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.5	172	-57.9	0	0	0	0	108.9	V215 I216 V217 V296 A320 F588 A589	V215-T294 PolarHBondContact O-N 3.35Å; I216-T294 CarbonylContact C-O 3.54Å; I216-T294 WeakPolarHBondContact CA-O 3.37Å; V217-T294 PolarHBondContact N-O 2.9Å; T294-V296 HydrophobicContact CG2-CG2 4.05Å; T294-A320 WeakPolarHBondContact CA-O 3.05Å; T294-A320 HydrophobicContact CG2-CB 3.99Å; T294-F588 HydrophobicContact CG2-CD1 4.01Å; T294-F588 HydrophobicContact CG2-CE1 3.95Å; T294-A589 VanDerWaalsContact OG1-CA 3.29Å; T294-A589 WeakPolarHBondContact OG1-CA 3.39Å
295	I	98.9	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.8	170.5	59.1	175.1	0	0	0	109	V217 F219 L276 V305 H308 F318 A320 A321 A322	V217-I295 HydrophobicContact CB-CG2 4.46Å; V217-I295 CarbonylContact O-C 3.58Å; V217-I295 WeakPolarHBondContact O-CA 3.15Å; F219-I295 HydrophobicContact CE2-CG2 4.4Å; L276-I295 HydrophobicContact CD1-CG2 4.26Å; L276-I295 HydrophobicContact CD2-CG2 3.4Å; L276-I295 VanDerWaalsContact CD2-CG2 3.4Å; L276-I295 HydrophobicContact CG-CG2 4.48Å; I295-V305 HydrophobicContact CB-CG2 4.27Å; I295-V305 HydrophobicContact CD1-CB 4.24Å; I295-V305 HydrophobicContact CD1-CG1 3.92Å; I295-V305 HydrophobicContact CD1-CG2 4.12Å; I295-V305 HydrophobicContact CG1-CG1 4.01Å; I295-V305 HydrophobicContact CG1-CG2 4.07Å; I295-H308 HydrophobicContact CD1-CB 3.94Å; I295-F318 HydrophobicContact CD1-CD1 3.92Å; I295-F318 HydrophobicContact CD1-CD2 3.81Å; I295-F318 HydrophobicContact CD1-CE1 3.76Å; I295-F318 HydrophobicContact CD1-CE2 3.63Å; I295-F318 HydrophobicContact CD1-CG 3.95Å; I295-F318 HydrophobicContact CD1-CZ 3.61Å; I295-F318 HydrophobicContact CG1-CD1 4.47Å; I295-F318 HydrophobicContact CG1-CD2 3.88Å; I295-F318 HydrophobicContact CG1-CE2 4.15Å; I295-F318 HydrophobicContact CG1-CG 4.06Å; I295-F318 HydrophobicContact CG2-CB 3.91Å; I295-F318 HydrophobicContact CG2-CD1 4.12Å; I295-F318 HydrophobicContact CG2-CG 3.98Å; I295-A320 PolarHBondContact N-O 3.49Å; I295-A320 VanDerWaalsContact N-O 3.07Å; I295-A321 HydrophobicContact CD1-CB 4.32Å; I295-A321 HydrophobicContact CG1-CB 3.92Å; I295-A321 CarbonylContact O-C 3.49Å; I295-A321 WeakPolarHBondContact O-CA 3.33Å; I295-A322 PolarHBondContact O-N 3.17Å
296	V	98.8	Very high	97.8	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.1	179.1	-175.8	0	0	0	0	107.6	I216 V217 F218 F219 T294 A322 M324 L550	I216-V296 HydrophobicContact CG2-CB 4.19Å; I216-V296 HydrophobicContact CG2-CG2 3.66Å; V217-V296 PolarHBondContact O-N 2.78Å; F218-V296 CarbonylContact C-O 3.49Å; F218-V296 VanDerWaalsContact CA-O 3.24Å; F218-V296 WeakPolarHBondContact CA-O 3.4Å; F218-V296 HydrophobicContact CD2-CB 4.16Å; F218-V296 HydrophobicContact CD2-CG1 3.94Å; F218-V296 HydrophobicContact CE2-CG1 4.39Å; F219-V296 PolarHBondContact N-O 3.48Å; T294-V296 HydrophobicContact CG2-CG2 4.05Å; V296-A322 CarbonylContact C-O 3.47Å; V296-A322 VanDerWaalsContact CA-O 3.29Å; V296-A322 WeakPolarHBondContact CA-O 3.49Å; V296-A322 HydrophobicContact CB-CB 4.45Å; V296-A322 HydrophobicContact CG1-CB 4.21Å; V296-A322 HydrophobicContact CG2-CB 4.01Å; V296-M324 HydrophobicContact CG1-SD 3.82Å; V296-L550 HydrophobicContact CG1-CD2 4.25Å
297	G	98.6	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.4	176.8	0	0	0	0	0	111.8	F219 G301 A302 A322 M324	F219-G297 VanDerWaalsContact O-CA 3.32Å; F219-G297 WeakPolarHBondContact O-CA 3.29Å; G297-G301 VanDerWaalsContact CA-C 3.48Å; G297-A302 WeakPolarHBondContact O-CB 3.49Å; G297-A322 PolarHBondContact N-O 2.9Å; G297-M324 WeakPolarHBondContact O-CB 3.02Å; G297-M324 PolarHBondContact O-N 3.39Å
298	H	98.3	Very high	98	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.5	178.5	167.6	-89.2	0	0	0	111.4	F218 F219 G221 A300 G301 A302 M324 H543 L547	F218-H298 HydrophobicContact CE2-CB 4.26Å; F218-H298 HydrophobicContact CZ-CB 4.19Å; F219-H298 PolarHBondContact O-N 3.38Å; G221-H298 WeakPolarHBondContact CA-O 3.37Å; G221-H298 PolarHBondContact N-O 2.88Å; H298-A300 PolarHBondContact O-N 3.38Å; H298-A300 VanDerWaalsContact O-N 3.13Å; H298-G301 WeakPolarHBondContact O-CA 3.49Å; H298-G301 PolarHBondContact O-N 3.06Å; H298-A302 PolarHBondContact O-N 3.32Å; H298-M324 CarbonylContact C-O 3.51Å; H298-M324 VanDerWaalsContact CA-O 3.25Å; H298-M324 WeakPolarHBondContact CA-O 3.01Å; H298-M324 HydrophobicContact CB-CB 4.27Å; H298-H543 AromaticContact CE1-CD2 3.48Å; H298-H543 PolarHBondContact CE1-CD2 3.44Å; H298-H543 VanDerWaalsContact CE1-CD2 3.48Å; H298-H543 AromaticContact CE1-CE1 3.89Å; H298-H543 AromaticContact CE1-NE2 3.22Å; H298-H543 PolarHBondContact CE1-NE2 3.22Å; H298-H543 AromaticContact NE2-CD2 3.75Å; H298-H543 AromaticContact NE2-CE1 3.7Å; H298-H543 AromaticContact NE2-NE2 3.49Å; H298-H543 PolarHBondContact NE2-NE2 3.37Å; H298-H543 PolarHBondContact NE2-O 3.33Å; H298-L547 HydrophobicContact CB-CD1 3.83Å; H298-L547 HydrophobicContact CB-CD2 3.92Å; H298-L547 HydrophobicContact CB-CG 4.19Å; H298-L547 VanDerWaalsContact CG-CD1 3.46Å
299	G	96.9	Very high	98.1	Very high	6 Å²	6	14 Å²	14	6%	0.062	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-118.4	-179.4	0	0	0	0	0	111.4	G301 A302 V303 M324 S325	G299-G301 VanDerWaalsContact C-N 3.27Å; G299-G301 PolarHBondContact O-N 2.86Å; G299-A302 WeakPolarHBondContact O-CA 3.18Å; G299-A302 VanDerWaalsContact O-CB 3.25Å; G299-A302 WeakPolarHBondContact O-CB 3.33Å; G299-A302 PolarHBondContact O-N 2.87Å; G299-V303 WeakPolarHBondContact O-CG2 3.45Å; G299-V303 PolarHBondContact O-N 2.68Å; G299-V303 VanDerWaalsContact O-N 3.15Å; G299-M324 PolarHBondContact N-O 3.4Å; G299-S325 WeakPolarHBondContact CA-O 3.43Å
300	A	96.7	Very high	98.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-59.5	-33.3	171.9	0	0	0	0	0	113.7	F224 H298 A302 V303 S304	F224-A300 HydrophobicContact CD1-CB 4.06Å; F224-A300 HydrophobicContact CD2-CB 3.67Å; F224-A300 HydrophobicContact CE1-CB 4.08Å; F224-A300 HydrophobicContact CE2-CB 3.69Å; F224-A300 HydrophobicContact CG-CB 3.87Å; F224-A300 HydrophobicContact CZ-CB 3.9Å; F224-A300 VanDerWaalsContact CZ-O 3.22Å; F224-A300 WeakPolarHBondContact CZ-O 3.41Å; F224-A300 VanDerWaalsContact N-CB 3.34Å; H298-A300 PolarHBondContact O-N 3.38Å; H298-A300 VanDerWaalsContact O-N 3.13Å; A300-A302 VanDerWaalsContact C-N 3.27Å; A300-A302 PolarHBondContact O-N 3.18Å; A300-V303 VanDerWaalsContact O-CB 3.28Å; A300-V303 WeakPolarHBondContact O-CB 3.49Å; A300-V303 PolarHBondContact O-N 3.41Å; A300-S304 PolarHBondContact O-N 2.87Å
301	G	98.2	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.1	-31.9	171	0	0	0	0	0	112.8	F219 H220 G297 H298 G299 S304 V305	F219-G301 WeakPolarHBondContact O-CA 3.38Å; H220-G301 PolarHBondContact O-N 3.39Å; G297-G301 VanDerWaalsContact CA-C 3.48Å; H298-G301 WeakPolarHBondContact O-CA 3.49Å; H298-G301 PolarHBondContact O-N 3.06Å; G299-G301 VanDerWaalsContact C-N 3.27Å; G299-G301 PolarHBondContact O-N 2.86Å; G301-S304 VanDerWaalsContact O-CB 3.27Å; G301-S304 WeakPolarHBondContact O-CB 3.24Å; G301-S304 PolarHBondContact O-N 3.49Å; G301-V305 WeakPolarHBondContact O-CG2 3.27Å; G301-V305 PolarHBondContact O-N 3.4Å
302	A	98.6	Very high	98.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-70.9	-35.7	174.5	0	0	0	0	0	111.6	G297 H298 G299 A300 V305 G306 A323 M324 G326	G297-A302 WeakPolarHBondContact O-CB 3.49Å; H298-A302 PolarHBondContact O-N 3.32Å; G299-A302 WeakPolarHBondContact O-CA 3.18Å; G299-A302 VanDerWaalsContact O-CB 3.25Å; G299-A302 WeakPolarHBondContact O-CB 3.33Å; G299-A302 PolarHBondContact O-N 2.87Å; A300-A302 VanDerWaalsContact C-N 3.27Å; A300-A302 PolarHBondContact O-N 3.18Å; A302-V305 WeakPolarHBondContact O-CB 3.15Å; A302-V305 PolarHBondContact O-N 2.87Å; A302-G306 PolarHBondContact O-N 2.86Å; A302-G306 VanDerWaalsContact O-N 3.09Å; A302-A323 HydrophobicContact CB-CB 3.88Å; A302-M324 WeakPolarHBondContact CB-O 3.42Å; A302-G326 WeakPolarHBondContact CB-O 3.36Å
303	V	98.4	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.9	-48.8	169	-177	0	0	0	0	109.5	F224 G299 A300 V305 G306 L307 S327 D328 Q333 V334	F224-V303 HydrophobicContact CE2-CB 4.07Å; F224-V303 HydrophobicContact CE2-CG1 4.01Å; F224-V303 HydrophobicContact CE2-CG2 4.43Å; F224-V303 HydrophobicContact CZ-CB 3.95Å; F224-V303 HydrophobicContact CZ-CG1 4.02Å; G299-V303 WeakPolarHBondContact O-CG2 3.45Å; G299-V303 PolarHBondContact O-N 2.68Å; G299-V303 VanDerWaalsContact O-N 3.15Å; A300-V303 VanDerWaalsContact O-CB 3.28Å; A300-V303 WeakPolarHBondContact O-CB 3.49Å; A300-V303 PolarHBondContact O-N 3.41Å; V303-V305 VanDerWaalsContact C-N 3.32Å; V303-V305 PolarHBondContact O-N 2.88Å; V303-G306 WeakPolarHBondContact O-CA 3.38Å; V303-G306 PolarHBondContact O-N 3.36Å; V303-L307 HydrophobicContact CG1-CD1 4.04Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-L307 WeakPolarHBondContact O-CG 3.24Å; V303-L307 PolarHBondContact O-N 3.06Å; V303-S327 WeakPolarHBondContact CG2-O 3.47Å; V303-D328 HydrophobicContact CG1-CB 4.46Å; V303-Q333 HydrophobicContact CB-CB 4.37Å; V303-Q333 HydrophobicContact CG1-CB 3.85Å; V303-Q333 HydrophobicContact CG2-CB 3.63Å; V303-Q333 HydrophobicContact CG2-CG 3.66Å; V303-V334 HydrophobicContact CG1-CG2 3.99Å
304	S	98.7	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-53.6	-45.7	174.6	-84.6	0	0	0	0	112.7	L269 Q272 A300 G301 G306 L307 H308	L269-S304 VanDerWaalsContact CD2-OG 3.31Å; L269-S304 WeakPolarHBondContact CD2-OG 3.4Å; Q272-S304 VanDerWaalsContact CD-OG 3.27Å; Q272-S304 PolarHBondContact NE2-OG 3.06Å; Q272-S304 PolarHBondContact OE1-OG 3.12Å; A300-S304 PolarHBondContact O-N 2.87Å; G301-S304 VanDerWaalsContact O-CB 3.27Å; G301-S304 WeakPolarHBondContact O-CB 3.24Å; G301-S304 PolarHBondContact O-N 3.49Å; S304-G306 VanDerWaalsContact C-N 3.33Å; S304-G306 PolarHBondContact O-N 3.38Å; S304-L307 PolarHBondContact O-N 2.96Å; S304-H308 WeakPolarHBondContact O-CB 3.39Å; S304-H308 PolarHBondContact O-CD2 3.12Å; S304-H308 PolarHBondContact O-N 3.35Å
305	V	98.7	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-56.9	-47.5	175	166.1	0	0	0	0	111.1	I295 G301 A302 V303 L307 H308 M309 A321 A323 Y413	I295-V305 HydrophobicContact CB-CG2 4.27Å; I295-V305 HydrophobicContact CD1-CB 4.24Å; I295-V305 HydrophobicContact CD1-CG1 3.92Å; I295-V305 HydrophobicContact CD1-CG2 4.12Å; I295-V305 HydrophobicContact CG1-CG1 4.01Å; I295-V305 HydrophobicContact CG1-CG2 4.07Å; G301-V305 WeakPolarHBondContact O-CG2 3.27Å; G301-V305 PolarHBondContact O-N 3.4Å; A302-V305 WeakPolarHBondContact O-CB 3.15Å; A302-V305 PolarHBondContact O-N 2.87Å; V303-V305 VanDerWaalsContact C-N 3.32Å; V303-V305 PolarHBondContact O-N 2.88Å; V305-L307 VanDerWaalsContact C-N 3.34Å; V305-L307 PolarHBondContact O-N 3.2Å; V305-H308 PolarHBondContact O-N 2.83Å; V305-M309 WeakPolarHBondContact O-CG 3.25Å; V305-M309 PolarHBondContact O-N 3.22Å; V305-M309 VanDerWaalsContact O-N 3.08Å; V305-A321 HydrophobicContact CG1-CB 3.65Å; V305-A323 HydrophobicContact CG1-CB 4.43Å; V305-Y413 HydrophobicContact CG1-CE2 4.47Å
306	G	98.2	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-41.9	176.9	0	0	0	0	0	113.1	A302 V303 S304 M309 L310 R508	A302-G306 PolarHBondContact O-N 2.86Å; A302-G306 VanDerWaalsContact O-N 3.09Å; V303-G306 WeakPolarHBondContact O-CA 3.38Å; V303-G306 PolarHBondContact O-N 3.36Å; S304-G306 VanDerWaalsContact C-N 3.33Å; S304-G306 PolarHBondContact O-N 3.38Å; G306-M309 WeakPolarHBondContact O-CB 3.3Å; G306-M309 PolarHBondContact O-N 2.83Å; G306-L310 WeakPolarHBondContact O-CG 3.45Å; G306-L310 PolarHBondContact O-N 3.04Å; G306-R508 PolarHBondContact O-NH2 3.4Å
307	L	98.6	Very high	98.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-69.5	-39	177.3	-66.4	176.1	0	0	0	112.6	L269 V303 S304 V305 M309 L310 S311 D328 V334 P387 V394 P398	L269-L307 HydrophobicContact CD1-CD1 3.78Å; L269-L307 HydrophobicContact CD2-CD1 4.28Å; V303-L307 HydrophobicContact CG1-CD1 4.04Å; V303-L307 HydrophobicContact CG1-CG 4.37Å; V303-L307 WeakPolarHBondContact O-CG 3.24Å; V303-L307 PolarHBondContact O-N 3.06Å; S304-L307 PolarHBondContact O-N 2.96Å; V305-L307 VanDerWaalsContact C-N 3.34Å; V305-L307 PolarHBondContact O-N 3.2Å; L307-M309 PolarHBondContact O-N 3.3Å; L307-L310 CarbonylContact O-C 3.56Å; L307-L310 PolarHBondContact O-N 3.18Å; L307-S311 WeakPolarHBondContact O-CB 3.47Å; L307-S311 PolarHBondContact O-N 2.86Å; L307-D328 HydrophobicContact CD2-CB 4.01Å; L307-D328 HydrophobicContact CG-CB 4.11Å; L307-V334 HydrophobicContact CD1-CG2 4.28Å; L307-V334 HydrophobicContact CD2-CG2 4.23Å; L307-P387 HydrophobicContact CD1-CB 3.61Å; L307-P387 HydrophobicContact CD1-CG 3.81Å; L307-V394 HydrophobicContact CD2-CG1 4.25Å; L307-V394 HydrophobicContact CD2-CG2 4.25Å; L307-P398 HydrophobicContact CD2-CG 3.8Å
308	H	98.8	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-31.7	173	-79.8	-63.7	0	0	0	112.2	Q272 I295 S304 V305 L310 S314 F318 F393	Q272-H308 VanDerWaalsContact CB-NE2 3.3Å; Q272-H308 WeakPolarHBondContact CB-NE2 3.24Å; Q272-H308 PolarHBondContact OE1-NE2 3.39Å; I295-H308 HydrophobicContact CD1-CB 3.94Å; S304-H308 WeakPolarHBondContact O-CB 3.39Å; S304-H308 PolarHBondContact O-CD2 3.12Å; S304-H308 PolarHBondContact O-N 3.35Å; V305-H308 PolarHBondContact O-N 2.83Å; H308-L310 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 3.42Å; H308-S314 PolarHBondContact ND1-OG 3.28Å; H308-S314 WeakPolarHBondContact O-CB 3.31Å; H308-F318 HydrophobicContact CB-CE1 4.04Å; H308-F318 HydrophobicContact CB-CZ 4.22Å; H308-F393 AromaticContact CE1-CZ 3.63Å; H308-F393 AromaticContact ND1-CZ 3.68Å
309	M	98.2	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-30.8	172.8	-70.2	-179.9	73.4	0	0	113.2	V305 G306 L307 F318 A321 S409 V411 Y413 R508	V305-M309 WeakPolarHBondContact O-CG 3.25Å; V305-M309 PolarHBondContact O-N 3.22Å; V305-M309 VanDerWaalsContact O-N 3.08Å; G306-M309 WeakPolarHBondContact O-CB 3.3Å; G306-M309 PolarHBondContact O-N 2.83Å; L307-M309 PolarHBondContact O-N 3.3Å; M309-F318 HydrophobicContact CG-CE2 3.89Å; M309-F318 HydrophobicContact CG-CZ 4Å; M309-A321 HydrophobicContact CE-CB 4.45Å; M309-A321 HydrophobicContact CG-CB 4.04Å; M309-A321 HydrophobicContact SD-CB 3.52Å; M309-A321 VanDerWaalsContact SD-CB 3.52Å; M309-S409 WeakPolarHBondContact CE-O 3.47Å; M309-S409 PolarHBondContact O-N 3.38Å; M309-S409 VanDerWaalsContact O-N 3.12Å; M309-V411 HydrophobicContact CE-CG2 3.94Å; M309-Y413 HydrophobicContact CE-CD2 4.31Å; M309-Y413 HydrophobicContact SD-CD2 3.61Å; M309-Y413 HydrophobicContact SD-CE2 4.09Å; M309-Y413 HydrophobicContact SD-CG 4.37Å; M309-R508 PolarHBondContact SD-NH1 2.72Å; M309-R508 VanDerWaalsContact SD-NH1 3.35Å
310	L	97.9	Very high	98.1	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-91.9	-14.7	-179.2	-64.5	179.9	0	0	0	113.4	G306 L307 H308 P312 D328 P398 L401 L402 V407 P408	G306-L310 WeakPolarHBondContact O-CG 3.45Å; G306-L310 PolarHBondContact O-N 3.04Å; L307-L310 CarbonylContact O-C 3.56Å; L307-L310 PolarHBondContact O-N 3.18Å; H308-L310 VanDerWaalsContact C-N 3.29Å; H308-L310 PolarHBondContact O-N 3.42Å; L310-P312 WeakPolarHBondContact O-CD 3.21Å; L310-D328 WeakPolarHBondContact CD1-OD2 3.3Å; L310-P398 HydrophobicContact CD1-CB 3.6Å; L310-P398 HydrophobicContact CD1-CG 4.28Å; L310-L401 HydrophobicContact CB-CD1 4.04Å; L310-L401 HydrophobicContact CD1-CB 4.45Å; L310-L401 HydrophobicContact CD1-CD1 4.27Å; L310-L401 HydrophobicContact CD2-CB 4.11Å; L310-L402 HydrophobicContact CD2-CD2 4.03Å; L310-L402 HydrophobicContact CD2-CG 4.25Å; L310-V407 HydrophobicContact CD2-CB 4.4Å; L310-V407 HydrophobicContact CD2-CG1 4.22Å; L310-V407 HydrophobicContact CD2-CG2 3.95Å; L310-P408 WeakPolarHBondContact O-CD 3.45Å
311	S	98.1	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.			trans	-83.4	122.4	-176.8	-175.5	0	0	0	0	112	L307 M313 S314 F393	L307-S311 WeakPolarHBondContact O-CB 3.47Å; L307-S311 PolarHBondContact O-N 2.86Å; S311-M313 PolarHBondContact O-N 3.36Å; S311-M313 PolarHBondContact OG-N 3.49Å; S311-S314 PolarHBondContact O-N 2.87Å; S311-S314 VanDerWaalsContact O-N 3.12Å; S311-F393 WeakPolarHBondContact CA-O 3.39Å; S311-F393 WeakPolarHBondContact CB-O 3.43Å; S311-F393 PolarHBondContact OG-O 3.22Å
312	P	97.5	Very high	98.3	Very high	71 Å²	71	18.1 Å²	18.1	46%	0.461	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-59.4	-29.4	172.4	-23.3	34.1	0	0	0	113	L310 S314 A315 P395 P408	L310-P312 WeakPolarHBondContact O-CD 3.21Å; P312-S314 PolarHBondContact O-N 3.27Å; P312-A315 VanDerWaalsContact O-CB 3.29Å; P312-A315 WeakPolarHBondContact O-CB 3.39Å; P312-A315 PolarHBondContact O-N 3.03Å; P312-P395 HydrophobicContact CG-CG 3.94Å; P312-P408 HydrophobicContact CG-CG 4.19Å
313	M	97.3	Very high	98.3	Very high	96 Å²	96	18.1 Å²	18.1	47%	0.473	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-71.5	-18.3	-179.8	-62.1	179.8	64.9	0	0	113.1	N273 S311 F393	N273-M313 PolarHBondContact ND2-O 3.3Å; S311-M313 PolarHBondContact O-N 3.36Å; S311-M313 PolarHBondContact OG-N 3.49Å; M313-F393 HydrophobicContact CB-CD2 4.23Å; M313-F393 HydrophobicContact CB-CE2 4.27Å; M313-F393 HydrophobicContact CE-CD2 4.24Å; M313-F393 HydrophobicContact CG-CD2 4.47Å; M313-F393 HydrophobicContact SD-CB 4.14Å; M313-F393 HydrophobicContact SD-CD2 3.63Å; M313-F393 HydrophobicContact SD-CE2 4.48Å; M313-F393 HydrophobicContact SD-CG 4.3Å
314	S	98.4	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-102.7	1.7	178.7	-53.8	0	0	0	0	112.5	N273 H308 S311 P312 G316 L317	N273-S314 PolarHBondContact ND2-OG 2.91Å; H308-S314 PolarHBondContact ND1-OG 3.28Å; H308-S314 WeakPolarHBondContact O-CB 3.31Å; S311-S314 PolarHBondContact O-N 2.87Å; S311-S314 VanDerWaalsContact O-N 3.12Å; P312-S314 PolarHBondContact O-N 3.27Å; S314-G316 PolarHBondContact O-N 3.07Å; S314-L317 PolarHBondContact O-N 3.46Å
315	A	97.4	Very high	98.2	Very high	49 Å²	49	18.1 Å²	18.1	41%	0.405	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	129.6	-179	0	0	0	0	0	111.3	P312 L317 P408 S409	P312-A315 VanDerWaalsContact O-CB 3.29Å; P312-A315 WeakPolarHBondContact O-CB 3.39Å; P312-A315 PolarHBondContact O-N 3.03Å; A315-L317 VanDerWaalsContact C-N 3.3Å; A315-L317 PolarHBondContact O-N 3.13Å; A315-P408 HydrophobicContact CB-CB 4.19Å; A315-S409 WeakPolarHBondContact CA-OG 3.43Å
316	G	97.3	Very high	98.2	Very high	48 Å²	48	18.3 Å²	18.3	50%	0.495	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-5.8	177.9	0	0	0	0	0	115.9	S314	S314-G316 PolarHBondContact O-N 3.07Å
317	L	98.6	Very high	98.1	Very high	26 Å²	26	18.3 Å²	18.3	14%	0.136	12%	0.115	C	C	.	.	S	Bend	trans	-80.2	-15.2	-178.1	-60.1	-179.2	0	0	0	114.5	L276 E277 Q280 S314 A315	L276-L317 HydrophobicContact CB-CB 4.02Å; L276-L317 HydrophobicContact CB-CD1 3.78Å; L276-L317 HydrophobicContact CB-CG 4.49Å; L276-L317 HydrophobicContact CD1-CB 4.49Å; L276-L317 HydrophobicContact CD1-CD1 4.44Å; E277-L317 HydrophobicContact CG-CD1 4.12Å; E277-L317 HydrophobicContact CG-CD2 4.37Å; Q280-L317 HydrophobicContact CG-CB 4.49Å; Q280-L317 HydrophobicContact CG-CD2 3.94Å; Q280-L317 PolarHBondContact NE2-O 2.82Å; S314-L317 PolarHBondContact O-N 3.46Å; A315-L317 VanDerWaalsContact C-N 3.3Å; A315-L317 PolarHBondContact O-N 3.13Å
318	F	98.6	Very high	98.1	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.013	12%	0.115	C	C	.	.			trans	-146.2	159.2	178.7	57	-87	0	0	0	111	L276 V293 I295 H308 M309 A321 V411	L276-F318 HydrophobicContact CD1-CD1 4.17Å; L276-F318 HydrophobicContact CD1-CE1 4.49Å; V293-F318 HydrophobicContact CB-CB 4.45Å; V293-F318 HydrophobicContact CG1-CB 4.07Å; I295-F318 HydrophobicContact CD1-CD1 3.92Å; I295-F318 HydrophobicContact CD1-CD2 3.81Å; I295-F318 HydrophobicContact CD1-CE1 3.76Å; I295-F318 HydrophobicContact CD1-CE2 3.63Å; I295-F318 HydrophobicContact CD1-CG 3.95Å; I295-F318 HydrophobicContact CD1-CZ 3.61Å; I295-F318 HydrophobicContact CG1-CD1 4.47Å; I295-F318 HydrophobicContact CG1-CD2 3.88Å; I295-F318 HydrophobicContact CG1-CE2 4.15Å; I295-F318 HydrophobicContact CG1-CG 4.06Å; I295-F318 HydrophobicContact CG2-CB 3.91Å; I295-F318 HydrophobicContact CG2-CD1 4.12Å; I295-F318 HydrophobicContact CG2-CG 3.98Å; H308-F318 HydrophobicContact CB-CE1 4.04Å; H308-F318 HydrophobicContact CB-CZ 4.22Å; M309-F318 HydrophobicContact CG-CE2 3.89Å; M309-F318 HydrophobicContact CG-CZ 4Å; F318-A321 HydrophobicContact CE2-CB 4.38Å; F318-V411 HydrophobicContact CD2-CG2 3.93Å; F318-V411 HydrophobicContact CE2-CG2 3.65Å
319	K	98.2	Very high	97.9	Very high	81 Å²	81	19.6 Å²	19.6	35%	0.352	12%	0.122	S	C	.	.	S	Bend	trans	-115	-10.4	-177	-58.5	-52.8	-176.1	-173	0	114.4	D291 V293 V411	D291-K319 WeakPolarHBondContact O-CG 3.22Å; V293-K319 PolarHBondContact O-N 3.41Å; K319-V411 WeakPolarHBondContact O-CB 3.35Å
320	A	98.5	Very high	97.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	158.5	173.5	0	0	0	0	0	110.1	V293 T294 I295 F588 Q592	V293-A320 PolarHBondContact O-N 3.04Å; T294-A320 WeakPolarHBondContact CA-O 3.05Å; T294-A320 HydrophobicContact CG2-CB 3.99Å; I295-A320 PolarHBondContact N-O 3.49Å; I295-A320 VanDerWaalsContact N-O 3.07Å; A320-F588 HydrophobicContact CB-CE1 3.87Å; A320-F588 HydrophobicContact CB-CZ 3.91Å; A320-Q592 HydrophobicContact CB-CG 4.34Å
321	A	98.7	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.5	-177.8	0	0	0	0	0	110.4	I295 V305 M309 F318 V411 P412 Y413 L414 F588	I295-A321 HydrophobicContact CD1-CB 4.32Å; I295-A321 HydrophobicContact CG1-CB 3.92Å; I295-A321 CarbonylContact O-C 3.49Å; I295-A321 WeakPolarHBondContact O-CA 3.33Å; V305-A321 HydrophobicContact CG1-CB 3.65Å; M309-A321 HydrophobicContact CE-CB 4.45Å; M309-A321 HydrophobicContact CG-CB 4.04Å; M309-A321 HydrophobicContact SD-CB 3.52Å; M309-A321 VanDerWaalsContact SD-CB 3.52Å; F318-A321 HydrophobicContact CE2-CB 4.38Å; A321-V411 HydrophobicContact CB-CG2 4.1Å; A321-P412 PolarHBondContact N-O 2.56Å; A321-Y413 HydrophobicContact CB-CD2 4.08Å; A321-Y413 CarbonylContact O-C 3.41Å; A321-Y413 VanDerWaalsContact O-CA 3.31Å; A321-Y413 WeakPolarHBondContact O-CA 3.29Å; A321-L414 PolarHBondContact O-N 3.35Å; A321-F588 WeakPolarHBondContact O-CE1 3.44Å
322	A	98.8	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.3	173.1	0	0	0	0	0	111.6	I295 V296 G297 L414 F588	I295-A322 PolarHBondContact O-N 3.17Å; V296-A322 CarbonylContact C-O 3.47Å; V296-A322 VanDerWaalsContact CA-O 3.29Å; V296-A322 WeakPolarHBondContact CA-O 3.49Å; V296-A322 HydrophobicContact CB-CB 4.45Å; V296-A322 HydrophobicContact CG1-CB 4.21Å; V296-A322 HydrophobicContact CG2-CB 4.01Å; G297-A322 PolarHBondContact N-O 2.9Å; A322-L414 CarbonylContact C-O 3.36Å; A322-L414 WeakPolarHBondContact CA-O 3.34Å; A322-L414 HydrophobicContact CB-CB 4.06Å; A322-L414 HydrophobicContact CB-CD2 4.28Å; A322-F588 HydrophobicContact CB-CD1 4.48Å; A322-F588 HydrophobicContact CB-CE1 4.15Å
323	A	98.7	Very high	95.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	111.4	-176.8	0	0	0	0	0	110.5	A302 V305 Y413 L414 T415 G416	A302-A323 HydrophobicContact CB-CB 3.88Å; V305-A323 HydrophobicContact CG1-CB 4.43Å; A323-Y413 HydrophobicContact CB-CE2 3.57Å; A323-Y413 WeakPolarHBondContact CB-OH 3.39Å; A323-L414 PolarHBondContact N-O 2.94Å; A323-T415 WeakPolarHBondContact O-CA 3.44Å; A323-T415 PolarHBondContact O-OG1 3.5Å; A323-G416 PolarHBondContact O-N 2.7Å
324	M	98.6	Very high	95.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.4	-174.2	-58.5	171.5	64.7	0	0	109.9	V296 G297 H298 G299 A302 G326 D546 L547 L550 F581 W585	V296-M324 HydrophobicContact CG1-SD 3.82Å; G297-M324 WeakPolarHBondContact O-CB 3.02Å; G297-M324 PolarHBondContact O-N 3.39Å; H298-M324 CarbonylContact C-O 3.51Å; H298-M324 VanDerWaalsContact CA-O 3.25Å; H298-M324 WeakPolarHBondContact CA-O 3.01Å; H298-M324 HydrophobicContact CB-CB 4.27Å; G299-M324 PolarHBondContact N-O 3.4Å; A302-M324 WeakPolarHBondContact CB-O 3.42Å; M324-G326 VanDerWaalsContact C-N 3.31Å; M324-G326 PolarHBondContact O-N 3.44Å; M324-D546 HydrophobicContact CE-CB 3.82Å; M324-D546 VanDerWaalsContact CE-CG 3.42Å; M324-D546 WeakPolarHBondContact CE-OD2 3.44Å; M324-L547 HydrophobicContact CE-CD2 3.8Å; M324-L547 HydrophobicContact CE-CG 4.44Å; M324-L547 HydrophobicContact SD-CD2 4.17Å; M324-L550 HydrophobicContact CE-CD2 4Å; M324-L550 HydrophobicContact SD-CD2 3.68Å; M324-F581 HydrophobicContact CE-CE1 4.07Å; M324-F581 HydrophobicContact CE-CZ 4.27Å; M324-W585 HydrophobicContact CE-CZ2 4.35Å; M324-W585 HydrophobicContact CG-CZ2 4.19Å; M324-W585 HydrophobicContact SD-CZ2 4.11Å
325	S	98	Very high	95.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	48.4	46.6	178.3	-61.9	0	0	0	0	114.2	G299 G416 N418 D421 Y497 H543	G299-S325 WeakPolarHBondContact CA-O 3.43Å; S325-G416 WeakPolarHBondContact CA-O 3.4Å; S325-G416 PolarHBondContact N-O 3.12Å; S325-N418 PolarHBondContact OG-N 3.36Å; S325-N418 PolarHBondContact OG-ND2 3.47Å; S325-D421 WeakPolarHBondContact CB-OD1 3.36Å; S325-D421 VanDerWaalsContact OG-CG 3.22Å; S325-D421 PolarHBondContact OG-OD1 3.09Å; S325-D421 PolarHBondContact OG-OD2 2.77Å; S325-Y497 WeakPolarHBondContact O-CD1 3.18Å; S325-H543 VanDerWaalsContact CB-CE1 3.44Å; S325-H543 WeakPolarHBondContact CB-CE1 3.31Å; S325-H543 PolarHBondContact O-CE1 3.08Å
326	G	97.2	Very high	95.1	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.031	11%	0.105	C	C	.	.			trans	-178.7	159.3	175.9	0	0	0	0	0	113.5	A302 M324	A302-G326 WeakPolarHBondContact CB-O 3.36Å; M324-G326 VanDerWaalsContact C-N 3.31Å; M324-G326 PolarHBondContact O-N 3.44Å
327	S	97.6	Very high	94.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.			trans	-152.5	146.1	-176.5	171.8	0	0	0	0	112.5	V303 L329 S330 P500 S504	V303-S327 WeakPolarHBondContact CG2-O 3.47Å; S327-L329 PolarHBondContact O-N 2.92Å; S327-L329 VanDerWaalsContact O-N 3.17Å; S327-L329 PolarHBondContact OG-N 3.31Å; S327-S330 WeakPolarHBondContact O-CB 3.31Å; S327-S330 PolarHBondContact O-N 3.42Å; S327-S330 PolarHBondContact O-OG 3Å; S327-P500 PolarHBondContact OG-O 2.83Å; S327-S504 WeakPolarHBondContact OG-CB 3.4Å
328	D	96.7	Very high	94.6	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.1	168.3	57.8	-52.6	0	0	0	114.7	V303 L307 L310 P398 R508	V303-D328 HydrophobicContact CG1-CB 4.46Å; L307-D328 HydrophobicContact CD2-CB 4.01Å; L307-D328 HydrophobicContact CG-CB 4.11Å; L310-D328 WeakPolarHBondContact CD1-OD2 3.3Å; D328-P398 HydrophobicContact CB-CB 4.25Å; D328-P398 HydrophobicContact CB-CG 4.35Å; D328-R508 IonicContact OD1-CZ 2.89Å; D328-R508 IonicContact OD1-NH2 2.69Å; D328-R508 PolarHBondContact OD1-NH2 3.06Å; D328-R508 IonicContact OD2-NH2 2.83Å; D328-R508 PolarHBondContact OD2-NH2 3.47Å
329	L	95.9	Very high	94.3	Very high	26 Å²	26	26.8 Å²	26.8	14%	0.136	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.6	171.3	-61.8	-174.4	0	0	0	113.6	S327 Y331 P398 E399 L402 K503 M507	S327-L329 PolarHBondContact O-N 2.92Å; S327-L329 VanDerWaalsContact O-N 3.17Å; S327-L329 PolarHBondContact OG-N 3.31Å; L329-Y331 PolarHBondContact O-N 2.96Å; L329-P398 HydrophobicContact CD2-CB 3.98Å; L329-E399 HydrophobicContact CD2-CB 3.85Å; L329-L402 HydrophobicContact CD1-CD1 4.02Å; L329-L402 HydrophobicContact CD2-CD1 4.06Å; L329-L402 HydrophobicContact CG-CD1 4.19Å; L329-K503 HydrophobicContact CD1-CB 4.14Å; L329-K503 HydrophobicContact CD1-CD 4.09Å; L329-K503 HydrophobicContact CD1-CG 3.82Å; L329-M507 HydrophobicContact CD1-SD 3.67Å
330	S	92.3	Very high	94	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	14%	0.142	C	C	.	.			trans	-66.6	114.3	172.9	-69.1	0	0	0	0	109.8	S327 H332 Q333 Y496 P500	S327-S330 WeakPolarHBondContact O-CB 3.31Å; S327-S330 PolarHBondContact O-N 3.42Å; S327-S330 PolarHBondContact O-OG 3Å; S330-H332 PolarHBondContact O-N 3.34Å; S330-Q333 PolarHBondContact O-N 3.05Å; S330-Y496 PolarHBondContact OG-O 2.88Å; S330-P500 WeakPolarHBondContact OG-CB 3.4Å; S330-P500 VanDerWaalsContact OG-CG 3.28Å; S330-P500 WeakPolarHBondContact OG-CG 3.47Å
331	Y	82.5	Confident	93.8	Very high	64 Å²	64	27 Å²	27	25%	0.251	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.1	-174.2	82	-80.4	0	0	0	114.4	L329 Y451 Y496	L329-Y331 PolarHBondContact O-N 2.96Å; Y331-Y451 HydrophobicContact CD1-CE2 4.23Å; Y331-Y451 HydrophobicContact CE1-CD2 4.05Å; Y331-Y451 AromaticContact CE1-CE2 3.25Å; Y331-Y451 HydrophobicContact CE1-CE2 3.25Å; Y331-Y451 AromaticContact CE1-CZ 3.78Å; Y331-Y451 HydrophobicContact CE2-CE2 4.38Å; Y331-Y451 AromaticContact CZ-CD2 3.68Å; Y331-Y451 AromaticContact CZ-CE2 3.33Å; Y331-Y451 AromaticContact CZ-CZ 3.93Å; Y331-Y451 WeakPolarHBondContact OH-CD2 3.45Å; Y331-Y451 WeakPolarHBondContact OH-CE2 3.49Å; Y331-Y496 HydrophobicContact CE1-CD1 4.02Å; Y331-Y496 AromaticContact CE1-CE1 3.91Å; Y331-Y496 HydrophobicContact CE1-CE1 3.91Å; Y331-Y496 AromaticContact CZ-CE1 3.92Å; Y331-Y496 WeakPolarHBondContact OH-CE1 3.03Å
332	H	81.8	Confident	93.6	Very high	11 Å²	11	30.1 Å²	30.1	5%	0.051	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	9.6	-176.8	65.7	-77.8	0	0	0	113.1	S330 Y383 L386 Y496	S330-H332 PolarHBondContact O-N 3.34Å; H332-Y383 HydrophobicContact CB-CD1 4.23Å; H332-Y383 HydrophobicContact CB-CE1 4.34Å; H332-Y383 AromaticContact CD2-CE1 3.63Å; H332-Y383 VanDerWaalsContact O-CD1 3.29Å; H332-Y383 WeakPolarHBondContact O-CD1 3.36Å; H332-L386 WeakPolarHBondContact O-CD1 3.39Å; H332-Y496 AromaticContact CE1-CD1 3.47Å; H332-Y496 VanDerWaalsContact CE1-CD1 3.47Å; H332-Y496 WeakPolarHBondContact CE1-CD1 3.47Å; H332-Y496 AromaticContact CG-CD1 3.88Å; H332-Y496 AromaticContact ND1-CD1 3.46Å; H332-Y496 WeakPolarHBondContact ND1-CD1 3.24Å; H332-Y496 AromaticContact NE2-CD1 3.93Å
333	Q	89.7	Confident	93.3	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.07	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-12.7	-175.3	-62.5	-69.4	-16.5	0	0	113.7	V303 S330 P387	V303-Q333 HydrophobicContact CB-CB 4.37Å; V303-Q333 HydrophobicContact CG1-CB 3.85Å; V303-Q333 HydrophobicContact CG2-CB 3.63Å; V303-Q333 HydrophobicContact CG2-CG 3.66Å; S330-Q333 PolarHBondContact O-N 3.05Å; Q333-P387 WeakPolarHBondContact O-CD 3.45Å
334	V	94.1	Very high	93	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.073	18%	0.182	C	C	.	.			trans	-137	123.2	178.3	-175.3	0	0	0	0	110.1	V303 L307 T336 P387 P398	V303-V334 HydrophobicContact CG1-CG2 3.99Å; L307-V334 HydrophobicContact CD1-CG2 4.28Å; L307-V334 HydrophobicContact CD2-CG2 4.23Å; V334-T336 PolarHBondContact O-N 2.58Å; V334-P387 CarbonylContact C-O 3.53Å; V334-P387 WeakPolarHBondContact CA-O 3.25Å; V334-P387 HydrophobicContact CG2-CB 4.48Å; V334-P398 HydrophobicContact CG1-CG 4.36Å
335	I	93.9	Very high	92.8	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.051	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-83.4	103.5	174.8	-63.5	168	0	0	0	108.9	N337 L340 A341 L386 P387 V388 V389	I335-N337 WeakPolarHBondContact CG2-O 3.36Å; I335-L340 HydrophobicContact CG2-CB 4.15Å; I335-L340 HydrophobicContact CG2-CD2 4.33Å; I335-L340 HydrophobicContact CG2-CG 4.43Å; I335-A341 HydrophobicContact CG2-CB 4.09Å; I335-L386 HydrophobicContact CD1-CB 4.12Å; I335-L386 HydrophobicContact CG1-CB 4.13Å; I335-L386 HydrophobicContact CG1-CD1 4.33Å; I335-P387 PolarHBondContact N-O 2.87Å; I335-V388 HydrophobicContact CB-CG2 4.3Å; I335-V388 HydrophobicContact CD1-CG2 4.49Å; I335-V389 PolarHBondContact O-N 2.8Å; I335-V389 VanDerWaalsContact O-N 3.11Å
336	T	92.3	Very high	92.6	Very high	80 Å²	80	36.1 Å²	36.1	49%	0.491	19%	0.187	S	C	.	.			trans	-84	-23.3	176.2	55.6	0	0	0	0	113	V334 V389	V334-T336 PolarHBondContact O-N 2.58Å; T336-V389 HydrophobicContact CG2-CG2 4.27Å
337	N	91.2	Very high	92.4	Very high	92 Å²	92	40.9 Å²	40.9	49%	0.492	21%	0.207	S	C	.	.			trans	-93.8	102.8	175.2	-177.8	-4.5	0	0	0	110.4	I335 M339 L340	I335-N337 WeakPolarHBondContact CG2-O 3.36Å; N337-M339 PolarHBondContact O-N 2.86Å; N337-M339 VanDerWaalsContact O-N 3.16Å; N337-M339 VanDerWaalsContact OD1-CB 3.3Å; N337-M339 WeakPolarHBondContact OD1-CB 3.47Å; N337-M339 PolarHBondContact OD1-N 2.71Å; N337-M339 VanDerWaalsContact OD1-N 3.07Å; N337-L340 HydrophobicContact CB-CB 4.31Å; N337-L340 VanDerWaalsContact O-CB 3.31Å; N337-L340 WeakPolarHBondContact O-CB 3.19Å; N337-L340 PolarHBondContact O-N 2.99Å
338	T	92.8	Very high	92.1	Very high	55 Å²	55	41.1 Å²	41.1	34%	0.337	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-26.3	-178.8	55.6	0	0	0	0	113.6	G260 L340 A341 Y342 V388 V389	G260-T338 WeakPolarHBondContact CA-O 3.42Å; T338-L340 VanDerWaalsContact C-N 3.3Å; T338-L340 PolarHBondContact O-N 3.45Å; T338-A341 PolarHBondContact O-N 3.43Å; T338-Y342 PolarHBondContact O-N 3.22Å; T338-V388 HydrophobicContact CG2-CG1 4.35Å; T338-V389 WeakPolarHBondContact CG2-O 3.48Å
339	M	93.4	Very high	92	Very high	107 Å²	107	41 Å²	41	53%	0.527	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-31.5	174.6	-169.7	59.4	60.1	0	0	112.2	N337 Y342 N343	N337-M339 PolarHBondContact O-N 2.86Å; N337-M339 VanDerWaalsContact O-N 3.16Å; N337-M339 VanDerWaalsContact OD1-CB 3.3Å; N337-M339 WeakPolarHBondContact OD1-CB 3.47Å; N337-M339 PolarHBondContact OD1-N 2.71Å; N337-M339 VanDerWaalsContact OD1-N 3.07Å; M339-Y342 HydrophobicContact SD-CD1 4.01Å; M339-N343 WeakPolarHBondContact O-CB 3.47Å; M339-N343 PolarHBondContact O-N 3.38Å; M339-N343 PolarHBondContact O-ND2 2.78Å
340	L	91.8	Very high	91.9	Very high	81 Å²	81	47.9 Å²	47.9	42%	0.424	23%	0.232	S	C	.	.	H	α-helix	trans	-66.4	-44.5	173.8	178.2	60.8	0	0	0	110.6	I335 N337 T338 Y342 N343 N344	I335-L340 HydrophobicContact CG2-CB 4.15Å; I335-L340 HydrophobicContact CG2-CD2 4.33Å; I335-L340 HydrophobicContact CG2-CG 4.43Å; N337-L340 HydrophobicContact CB-CB 4.31Å; N337-L340 VanDerWaalsContact O-CB 3.31Å; N337-L340 WeakPolarHBondContact O-CB 3.19Å; N337-L340 PolarHBondContact O-N 2.99Å; T338-L340 VanDerWaalsContact C-N 3.3Å; T338-L340 PolarHBondContact O-N 3.45Å; L340-Y342 PolarHBondContact O-N 3.4Å; L340-N343 PolarHBondContact O-N 3.48Å; L340-N344 PolarHBondContact O-N 3.45Å; L340-N344 PolarHBondContact O-ND2 2.95Å; L340-N344 PolarHBondContact O-OD1 2.98Å
341	A	93.7	Very high	91.8	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-46.8	176.3	0	0	0	0	0	111.5	S258 I335 T338 N343 N344 T345 V388	S258-A341 CarbonylContact O-C 3.6Å; I335-A341 HydrophobicContact CG2-CB 4.09Å; T338-A341 PolarHBondContact O-N 3.43Å; A341-N343 PolarHBondContact O-N 2.89Å; A341-N344 PolarHBondContact O-N 3.29Å; A341-T345 PolarHBondContact O-N 3.48Å; A341-T345 VanDerWaalsContact O-N 3.12Å; A341-T345 PolarHBondContact O-OG1 3.18Å; A341-V388 HydrophobicContact CB-CG1 3.93Å; A341-V388 HydrophobicContact CB-CG2 3.84Å
342	Y	94.5	Very high	92.3	Very high	67 Å²	67	51.1 Å²	51.1	26%	0.263	25%	0.25	S	S	.	.	H	α-helix	trans	-57.2	-49.2	174.1	173.3	-97.1	0	0	0	112.2	M259 T338 M339 L340 N344 T345 I346 V359	M259-Y342 WeakPolarHBondContact O-CD2 3.38Å; M259-Y342 HydrophobicContact SD-CD2 4.09Å; M259-Y342 HydrophobicContact SD-CE2 4.2Å; T338-Y342 PolarHBondContact O-N 3.22Å; M339-Y342 HydrophobicContact SD-CD1 4.01Å; L340-Y342 PolarHBondContact O-N 3.4Å; Y342-N344 VanDerWaalsContact C-N 3.34Å; Y342-N344 PolarHBondContact O-N 3.07Å; Y342-T345 WeakPolarHBondContact O-CB 3.29Å; Y342-T345 PolarHBondContact O-N 2.97Å; Y342-I346 HydrophobicContact CD1-CG1 4.28Å; Y342-I346 HydrophobicContact CD2-CG1 4.44Å; Y342-I346 HydrophobicContact CE1-CG1 3.8Å; Y342-I346 HydrophobicContact CE2-CD1 4.11Å; Y342-I346 HydrophobicContact CE2-CG1 3.99Å; Y342-I346 WeakPolarHBondContact O-CG1 3.46Å; Y342-I346 PolarHBondContact O-N 2.98Å; Y342-V359 HydrophobicContact CE2-CG1 3.97Å; Y342-V359 HydrophobicContact CE2-CG2 4.06Å; Y342-V359 VanDerWaalsContact OH-CG2 3.3Å; Y342-V359 WeakPolarHBondContact OH-CG2 2.86Å
343	N	92.8	Very high	92.9	Very high	83 Å²	83	52.6 Å²	52.6	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-38.9	-179	-75.6	-23.5	0	0	0	112.6	M339 L340 A341 T345 I346 K347	M339-N343 WeakPolarHBondContact O-CB 3.47Å; M339-N343 PolarHBondContact O-N 3.38Å; M339-N343 PolarHBondContact O-ND2 2.78Å; L340-N343 PolarHBondContact O-N 3.48Å; A341-N343 PolarHBondContact O-N 2.89Å; N343-T345 VanDerWaalsContact C-N 3.34Å; N343-I346 PolarHBondContact O-N 2.96Å; N343-K347 VanDerWaalsContact O-CB 3.3Å; N343-K347 WeakPolarHBondContact O-CB 3.29Å; N343-K347 PolarHBondContact O-N 2.99Å
344	N	93	Very high	93.1	Very high	21 Å²	21	52 Å²	52	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-42.6	176.5	-69.3	-12.8	0	0	0	111.1	L340 A341 Y342 K347 L348 A384 F385	L340-N344 PolarHBondContact O-N 3.45Å; L340-N344 PolarHBondContact O-ND2 2.95Å; L340-N344 PolarHBondContact O-OD1 2.98Å; A341-N344 PolarHBondContact O-N 3.29Å; Y342-N344 VanDerWaalsContact C-N 3.34Å; Y342-N344 PolarHBondContact O-N 3.07Å; N344-K347 PolarHBondContact O-N 3.4Å; N344-L348 PolarHBondContact O-N 3.14Å; N344-A384 HydrophobicContact CB-CB 4.5Å; N344-A384 PolarHBondContact ND2-O 3.25Å; N344-F385 HydrophobicContact CB-CE1 4.33Å; N344-F385 HydrophobicContact CB-CZ 4.43Å
345	T	93.8	Very high	93.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-46.6	174.6	-63.3	0	0	0	0	112.1	L257 S258 M259 A341 Y342 N343 K347 L348 G349 L366	L257-T345 HydrophobicContact CD1-CG2 4.36Å; L257-T345 HydrophobicContact CD2-CG2 3.4Å; L257-T345 HydrophobicContact CG-CG2 3.83Å; S258-T345 PolarHBondContact N-OG1 3.2Å; S258-T345 WeakPolarHBondContact O-CB 3.41Å; S258-T345 PolarHBondContact O-OG1 2.99Å; M259-T345 HydrophobicContact CE-CG2 3.75Å; M259-T345 HydrophobicContact SD-CG2 3.79Å; A341-T345 PolarHBondContact O-N 3.48Å; A341-T345 VanDerWaalsContact O-N 3.12Å; A341-T345 PolarHBondContact O-OG1 3.18Å; Y342-T345 WeakPolarHBondContact O-CB 3.29Å; Y342-T345 PolarHBondContact O-N 2.97Å; N343-T345 VanDerWaalsContact C-N 3.34Å; T345-K347 VanDerWaalsContact C-N 3.31Å; T345-K347 PolarHBondContact O-N 3.45Å; T345-L348 PolarHBondContact O-N 3.48Å; T345-G349 PolarHBondContact O-N 3.48Å; T345-L366 HydrophobicContact CG2-CD1 4.12Å
346	I	93.6	Very high	93	Very high	22 Å²	22	59 Å²	59	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-37.1	177	-63.3	-58	0	0	0	111.5	Y342 N343 G349 R350 V362	Y342-I346 HydrophobicContact CD1-CG1 4.28Å; Y342-I346 HydrophobicContact CD2-CG1 4.44Å; Y342-I346 HydrophobicContact CE1-CG1 3.8Å; Y342-I346 HydrophobicContact CE2-CD1 4.11Å; Y342-I346 HydrophobicContact CE2-CG1 3.99Å; Y342-I346 WeakPolarHBondContact O-CG1 3.46Å; Y342-I346 PolarHBondContact O-N 2.98Å; N343-I346 PolarHBondContact O-N 2.96Å; I346-G349 PolarHBondContact O-N 3.2Å; I346-R350 WeakPolarHBondContact O-CG 3.49Å; I346-R350 PolarHBondContact O-N 2.93Å; I346-V362 HydrophobicContact CD1-CG1 4.29Å
347	K	92.1	Very high	92.9	Very high	102 Å²	102	62.1 Å²	62.1	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-48	177.8	-166.4	178.8	-166.1	-167	0	111.6	N343 N344 T345 G349 R350 H351 E379	N343-K347 VanDerWaalsContact O-CB 3.3Å; N343-K347 WeakPolarHBondContact O-CB 3.29Å; N343-K347 PolarHBondContact O-N 2.99Å; N344-K347 PolarHBondContact O-N 3.4Å; T345-K347 VanDerWaalsContact C-N 3.31Å; T345-K347 PolarHBondContact O-N 3.45Å; K347-G349 VanDerWaalsContact C-N 3.33Å; K347-G349 PolarHBondContact O-N 2.84Å; K347-R350 PolarHBondContact O-N 2.77Å; K347-H351 PolarHBondContact O-N 3.46Å; K347-E379 VanDerWaalsContact CE-CD 3.45Å; K347-E379 WeakPolarHBondContact CE-OE1 3.25Å; K347-E379 WeakPolarHBondContact CE-OE2 3.44Å; K347-E379 IonicContact NZ-OE1 3.63Å; K347-E379 PolarHBondContact NZ-OE1 2.99Å; K347-E379 IonicContact NZ-OE2 2.85Å; K347-E379 PolarHBondContact NZ-OE2 2.86Å
348	L	93.2	Very high	92.8	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-46.1	172.8	174	65	0	0	0	110.9	P253 L257 N344 T345 R350 H351 V352 L366 L374 G377 F385	P253-L348 HydrophobicContact CB-CD2 3.7Å; P253-L348 HydrophobicContact CG-CD2 4.4Å; L257-L348 HydrophobicContact CD1-CD2 4.06Å; N344-L348 PolarHBondContact O-N 3.14Å; T345-L348 PolarHBondContact O-N 3.48Å; L348-R350 VanDerWaalsContact C-N 3.3Å; L348-R350 PolarHBondContact O-N 2.89Å; L348-H351 WeakPolarHBondContact O-CB 3.22Å; L348-H351 PolarHBondContact O-N 3.37Å; L348-V352 HydrophobicContact CD1-CG1 4.03Å; L348-V352 WeakPolarHBondContact O-CG2 3.4Å; L348-V352 PolarHBondContact O-N 2.7Å; L348-L366 HydrophobicContact CG-CD2 4.41Å; L348-L374 HydrophobicContact CD2-CD2 4.27Å; L348-G377 WeakPolarHBondContact CD1-O 3.32Å; L348-F385 HydrophobicContact CB-CE2 4.37Å; L348-F385 HydrophobicContact CB-CZ 3.76Å; L348-F385 HydrophobicContact CD2-CE1 4.25Å; L348-F385 HydrophobicContact CD2-CE2 3.96Å; L348-F385 HydrophobicContact CD2-CZ 3.53Å; L348-F385 HydrophobicContact CG-CZ 4.22Å
349	G	94.3	Very high	92.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-50.6	-49.1	175.1	0	0	0	0	0	112.1	T345 I346 K347 H351 V352 G353 C354	T345-G349 PolarHBondContact O-N 3.48Å; I346-G349 PolarHBondContact O-N 3.2Å; K347-G349 VanDerWaalsContact C-N 3.33Å; K347-G349 PolarHBondContact O-N 2.84Å; G349-H351 PolarHBondContact O-N 3.28Å; G349-V352 PolarHBondContact O-N 3Å; G349-G353 PolarHBondContact O-N 3.17Å; G349-C354 CarbonylContact C-O 3.58Å; G349-C354 CarbonylContact O-C 3.57Å; G349-C354 VanDerWaalsContact O-CA 3.24Å; G349-C354 WeakPolarHBondContact O-CA 3.49Å; G349-C354 VanDerWaalsContact O-CB 3.3Å; G349-C354 WeakPolarHBondContact O-CB 3.47Å; G349-C354 PolarHBondContact O-N 3.46Å
350	R	92.3	Very high	92.4	Very high	172 Å²	172	64.4 Å²	64.4	65%	0.649	33%	0.329	S	S	*	.	H	α-helix	trans	-62.4	-41.1	176.6	-69.3	173.4	-177.6	167.6	2.3	112.9	I346 K347 L348 V352 G353 T355	I346-R350 WeakPolarHBondContact O-CG 3.49Å; I346-R350 PolarHBondContact O-N 2.93Å; K347-R350 PolarHBondContact O-N 2.77Å; L348-R350 VanDerWaalsContact C-N 3.3Å; L348-R350 PolarHBondContact O-N 2.89Å; R350-V352 VanDerWaalsContact C-N 3.32Å; R350-V352 PolarHBondContact O-N 2.98Å; R350-G353 PolarHBondContact O-N 3.3Å; R350-T355 HydrophobicContact CB-CG2 4.41Å; R350-T355 HydrophobicContact CG-CG2 4.28Å
351	H	91.3	Very high	92.6	Very high	117 Å²	117	63.7 Å²	63.7	54%	0.542	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-41.9	179.4	-169.3	95.4	0	0	0	111.8	K347 L348 G349 G353 G377	K347-H351 PolarHBondContact O-N 3.46Å; L348-H351 WeakPolarHBondContact O-CB 3.22Å; L348-H351 PolarHBondContact O-N 3.37Å; G349-H351 PolarHBondContact O-N 3.28Å; H351-G353 VanDerWaalsContact C-N 3.3Å; H351-G353 PolarHBondContact O-N 3.32Å; H351-G377 WeakPolarHBondContact CD2-CA 3.24Å
352	V	93.4	Very high	92.6	Very high	18 Å²	18	63.7 Å²	63.7	11%	0.109	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	15.5	-179.6	-53.5	0	0	0	0	113.9	L348 G349 R350 C354 L366 R369 D373 L374	L348-V352 HydrophobicContact CD1-CG1 4.03Å; L348-V352 WeakPolarHBondContact O-CG2 3.4Å; L348-V352 PolarHBondContact O-N 2.7Å; G349-V352 PolarHBondContact O-N 3Å; R350-V352 VanDerWaalsContact C-N 3.32Å; R350-V352 PolarHBondContact O-N 2.98Å; V352-C354 HydrophobicContact CG2-CB 4.46Å; V352-L366 HydrophobicContact CG2-CD2 3.75Å; V352-R369 HydrophobicContact CB-CG 4.24Å; V352-R369 HydrophobicContact CG2-CG 3.89Å; V352-R369 PolarHBondContact O-NE 3.37Å; V352-D373 HydrophobicContact CG1-CB 4.45Å; V352-D373 VanDerWaalsContact CG1-O 3.3Å; V352-D373 WeakPolarHBondContact CG1-O 2.95Å; V352-L374 HydrophobicContact CG2-CD2 4.43Å
353	G	93.2	Very high	92.6	Very high	42 Å²	42	62.2 Å²	62.2	43%	0.433	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	12.2	175.9	0	0	0	0	0	115.8	G349 R350 H351 T355	G349-G353 PolarHBondContact O-N 3.17Å; R350-G353 PolarHBondContact O-N 3.3Å; H351-G353 VanDerWaalsContact C-N 3.3Å; H351-G353 PolarHBondContact O-N 3.32Å; G353-T355 PolarHBondContact O-N 2.84Å
354	C	94.8	Very high	92.6	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.014	32%	0.317	C	S	.	.			trans	-90.5	72.2	172.7	-60.1	0	0	0	0	111.3	G349 V352 V362 C365	G349-C354 CarbonylContact C-O 3.58Å; G349-C354 CarbonylContact O-C 3.57Å; G349-C354 VanDerWaalsContact O-CA 3.24Å; G349-C354 WeakPolarHBondContact O-CA 3.49Å; G349-C354 VanDerWaalsContact O-CB 3.3Å; G349-C354 WeakPolarHBondContact O-CB 3.47Å; G349-C354 PolarHBondContact O-N 3.46Å; V352-C354 HydrophobicContact CG2-CB 4.46Å; C354-V362 HydrophobicContact CB-CG1 4.24Å; C354-C365 WeakPolarHBondContact CA-SG 3.42Å; C354-C365 HydrophobicContact CB-CB 3.6Å; C354-C365 WeakPolarHBondContact CB-SG 3.43Å; C354-C365 WeakPolarHBondContact SG-CB 3.44Å; C354-C365 CovalentContact SG-SG 2.04Å; C354-C365 PolarHBondContact SG-SG 2.9Å
355	T	93.2	Very high	92.8	Very high	96 Å²	96	61.6 Å²	61.6	59%	0.589	32%	0.317	S	S	*	.			trans	-99.4	27.5	-174.9	62.3	0	0	0	0	113.9	R350 G353	R350-T355 HydrophobicContact CB-CG2 4.41Å; R350-T355 HydrophobicContact CG-CG2 4.28Å; G353-T355 PolarHBondContact O-N 2.84Å
356	Q	92.5	Very high	92.8	Very high	74 Å²	74	61.6 Å²	61.6	35%	0.346	32%	0.317	S	S	.	.			trans	-67.7	151.3	-177.3	-66	70.1	57.8	0	0	111.1	D361 V362 C365	Q356-D361 HydrophobicContact CB-CB 3.71Å; Q356-D361 HydrophobicContact CG-CB 3.9Å; Q356-V362 HydrophobicContact CB-CG2 4.05Å; Q356-V362 WeakPolarHBondContact O-CG2 3.07Å; Q356-C365 VanDerWaalsContact OE1-CB 3.28Å
357	T	89.1	Confident	92.9	Very high	145 Å²	145	62.8 Å²	62.8	89%	0.89	32%	0.323	S	S	*	.	S	Bend	trans	-77.8	-28.4	-179.4	51.5	0	0	0	0	112.7
358	I	90.5	Very high	93	Very high	97 Å²	97	63 Å²	63	50%	0.497	33%	0.333	S	S	.	.	S	Bend	trans	-92	125.4	178.1	-58.5	175.5	0	0	0	108.6	K360 D361 V362	I358-K360 VanDerWaalsContact C-N 3.27Å; I358-K360 HydrophobicContact CG2-CB 4.19Å; I358-K360 PolarHBondContact O-N 3.43Å; I358-D361 HydrophobicContact CB-CB 4.36Å; I358-D361 WeakPolarHBondContact CB-OD2 3.47Å; I358-D361 WeakPolarHBondContact O-CB 3.18Å; I358-D361 PolarHBondContact O-N 3.24Å; I358-V362 PolarHBondContact O-N 3.32Å
359	V	87.4	Confident	93.1	Very high	54 Å²	54	66.5 Å²	66.5	33%	0.327	35%	0.346	S	S	.	.	H	α-helix	trans	-54.7	-42	-177.9	178.7	0	0	0	0	112.6	M259 Y342 D361 V362 W363	M259-V359 HydrophobicContact CE-CG1 3.63Å; M259-V359 HydrophobicContact CG-CG1 4.37Å; M259-V359 HydrophobicContact SD-CG1 3.51Å; M259-V359 VanDerWaalsContact SD-CG1 3.51Å; Y342-V359 HydrophobicContact CE2-CG1 3.97Å; Y342-V359 HydrophobicContact CE2-CG2 4.06Å; Y342-V359 VanDerWaalsContact OH-CG2 3.3Å; Y342-V359 WeakPolarHBondContact OH-CG2 2.86Å; V359-D361 PolarHBondContact O-N 3.34Å; V359-V362 WeakPolarHBondContact O-CB 3.46Å; V359-V362 PolarHBondContact O-N 3.09Å; V359-W363 PolarHBondContact O-N 3.36Å
360	K	90.9	Very high	93.1	Very high	150 Å²	150	68.6 Å²	68.6	65%	0.652	36%	0.361	S	S	*	.	H	α-helix	trans	-60.9	-34.4	177.7	-171.5	175.5	-178.9	178.2	0	112.4	I358 W363 N364	I358-K360 VanDerWaalsContact C-N 3.27Å; I358-K360 HydrophobicContact CG2-CB 4.19Å; I358-K360 PolarHBondContact O-N 3.43Å; K360-W363 WeakPolarHBondContact O-CB 3.34Å; K360-W363 PolarHBondContact O-N 3.2Å; K360-N364 PolarHBondContact O-N 2.95Å; K360-N364 PolarHBondContact O-ND2 3.06Å
361	D	94.4	Very high	93.2	Very high	66 Å²	66	61.6 Å²	61.6	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-75.7	-32	179.1	-62.9	-22.6	0	0	0	111.5	Q356 I358 V359 N364 C365	Q356-D361 HydrophobicContact CB-CB 3.71Å; Q356-D361 HydrophobicContact CG-CB 3.9Å; I358-D361 HydrophobicContact CB-CB 4.36Å; I358-D361 WeakPolarHBondContact CB-OD2 3.47Å; I358-D361 WeakPolarHBondContact O-CB 3.18Å; I358-D361 PolarHBondContact O-N 3.24Å; V359-D361 PolarHBondContact O-N 3.34Å; D361-N364 PolarHBondContact O-N 2.89Å; D361-C365 VanDerWaalsContact O-CB 3.29Å; D361-C365 WeakPolarHBondContact O-CB 3.21Å; D361-C365 PolarHBondContact O-N 3.21Å
362	V	94.1	Very high	93.3	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.03	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-46.8	169.3	179.9	0	0	0	0	110.2	I346 C354 Q356 I358 V359 C365 L366	I346-V362 HydrophobicContact CD1-CG1 4.29Å; C354-V362 HydrophobicContact CB-CG1 4.24Å; Q356-V362 HydrophobicContact CB-CG2 4.05Å; Q356-V362 WeakPolarHBondContact O-CG2 3.07Å; I358-V362 PolarHBondContact O-N 3.32Å; V359-V362 WeakPolarHBondContact O-CB 3.46Å; V359-V362 PolarHBondContact O-N 3.09Å; V362-C365 PolarHBondContact O-N 3.44Å; V362-L366 HydrophobicContact CG1-CD1 4.1Å; V362-L366 WeakPolarHBondContact O-CG 3.17Å; V362-L366 PolarHBondContact O-N 3.2Å
363	W	93.8	Very high	93.3	Very high	36 Å²	36	63 Å²	63	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-47.4	175.5	-173	-88.9	0	0	0	112.5	F148 L257 M259 T264 Y267 V359 K360 C365 L366 L367	F148-W363 HydrophobicContact CB-CH2 3.94Å; F148-W363 HydrophobicContact CB-CZ2 3.31Å; F148-W363 HydrophobicContact CD2-CZ2 4.1Å; F148-W363 HydrophobicContact CG-CH2 4.39Å; F148-W363 AromaticContact CG-CZ2 3.99Å; F148-W363 HydrophobicContact CG-CZ2 3.99Å; L257-W363 HydrophobicContact CD2-CE3 3.63Å; L257-W363 HydrophobicContact CD2-CH2 3.84Å; L257-W363 HydrophobicContact CD2-CZ3 3.1Å; M259-W363 HydrophobicContact CE-CB 3.89Å; M259-W363 HydrophobicContact CE-CD2 4.41Å; M259-W363 HydrophobicContact CE-CE3 3.63Å; M259-W363 HydrophobicContact CG-CE3 3.75Å; M259-W363 HydrophobicContact CG-CZ3 3.92Å; M259-W363 HydrophobicContact SD-CE3 4.42Å; T264-W363 HydrophobicContact CG2-CH2 3.56Å; T264-W363 HydrophobicContact CG2-CZ2 4.05Å; T264-W363 HydrophobicContact CG2-CZ3 3.84Å; Y267-W363 HydrophobicContact CE2-CH2 4.36Å; Y267-W363 WeakPolarHBondContact OH-CH2 3.45Å; V359-W363 PolarHBondContact O-N 3.36Å; K360-W363 WeakPolarHBondContact O-CB 3.34Å; K360-W363 PolarHBondContact O-N 3.2Å; W363-C365 VanDerWaalsContact C-N 3.28Å; W363-C365 PolarHBondContact O-N 3.2Å; W363-L366 WeakPolarHBondContact O-CB 3.41Å; W363-L366 PolarHBondContact O-N 3.25Å; W363-L367 PolarHBondContact O-N 2.04Å; W363-L367 VanDerWaalsContact O-N 3.13Å
364	N	94.5	Very high	93.3	Very high	74 Å²	74	61 Å²	61	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-37.6	177.6	-69.3	-27.5	0	0	0	111.9	K360 D361 L367	K360-N364 PolarHBondContact O-N 2.95Å; K360-N364 PolarHBondContact O-ND2 3.06Å; D361-N364 PolarHBondContact O-N 2.89Å; N364-L367 WeakPolarHBondContact O-CB 3.46Å; N364-L367 PolarHBondContact O-N 2.86Å
365	C	95.8	Very high	93.2	Very high	17 Å²	17	61.8 Å²	61.8	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-68.1	-39.3	174.8	175.8	0	0	0	0	112.2	C354 Q356 D361 V362 W363 L367 T368	C354-C365 WeakPolarHBondContact CA-SG 3.42Å; C354-C365 HydrophobicContact CB-CB 3.6Å; C354-C365 WeakPolarHBondContact CB-SG 3.43Å; C354-C365 WeakPolarHBondContact SG-CB 3.44Å; C354-C365 CovalentContact SG-SG 2.04Å; C354-C365 PolarHBondContact SG-SG 2.9Å; Q356-C365 VanDerWaalsContact OE1-CB 3.28Å; D361-C365 VanDerWaalsContact O-CB 3.29Å; D361-C365 WeakPolarHBondContact O-CB 3.21Å; D361-C365 PolarHBondContact O-N 3.21Å; V362-C365 PolarHBondContact O-N 3.44Å; W363-C365 VanDerWaalsContact C-N 3.28Å; W363-C365 PolarHBondContact O-N 3.2Å; C365-L367 PolarHBondContact O-N 3.46Å; C365-T368 PolarHBondContact O-N 3.08Å; C365-T368 PolarHBondContact O-OG1 3.24Å
366	L	95.3	Very high	93	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-34.9	175.8	-74.5	163.6	0	0	0	111.9	F148 L257 T345 L348 V352 V362 W363 T368 R369 L374	F148-L366 HydrophobicContact CE2-CB 4.15Å; L257-L366 HydrophobicContact CD1-CD1 4Å; L257-L366 HydrophobicContact CD2-CD1 4.5Å; T345-L366 HydrophobicContact CG2-CD1 4.12Å; L348-L366 HydrophobicContact CG-CD2 4.41Å; V352-L366 HydrophobicContact CG2-CD2 3.75Å; V362-L366 HydrophobicContact CG1-CD1 4.1Å; V362-L366 WeakPolarHBondContact O-CG 3.17Å; V362-L366 PolarHBondContact O-N 3.2Å; W363-L366 WeakPolarHBondContact O-CB 3.41Å; W363-L366 PolarHBondContact O-N 3.25Å; L366-T368 PolarHBondContact O-N 3.35Å; L366-R369 PolarHBondContact O-N 3.09Å; L366-L374 HydrophobicContact CD2-CD2 3.65Å
367	L	94.9	Very high	92.6	Very high	47 Å²	47	60.7 Å²	60.7	25%	0.246	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.2	173.7	-75.6	168.3	0	0	0	113.4	R147 F148 W363 N364 C365	R147-L367 HydrophobicContact CB-CD2 4.29Å; R147-L367 PolarHBondContact NH1-O 2.99Å; F148-L367 HydrophobicContact CB-CD2 4.43Å; F148-L367 HydrophobicContact CD2-CD2 3.34Å; F148-L367 HydrophobicContact CD2-CG 3.84Å; F148-L367 HydrophobicContact CE2-CD2 3.87Å; F148-L367 HydrophobicContact CE2-CG 4.18Å; F148-L367 HydrophobicContact CG-CD2 4.15Å; W363-L367 PolarHBondContact O-N 2.04Å; W363-L367 VanDerWaalsContact O-N 3.13Å; N364-L367 WeakPolarHBondContact O-CB 3.46Å; N364-L367 PolarHBondContact O-N 2.86Å; C365-L367 PolarHBondContact O-N 3.46Å
368	T	94.8	Very high	92.2	Very high	105 Å²	105	55 Å²	55	64%	0.644	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-7	179.8	73	0	0	0	0	113.8	C365 L366	C365-T368 PolarHBondContact O-N 3.08Å; C365-T368 PolarHBondContact O-OG1 3.24Å; L366-T368 PolarHBondContact O-N 3.35Å
369	R	94.7	Very high	90.9	Very high	80 Å²	80	54.7 Å²	54.7	30%	0.302	28%	0.283	S	S	.	.	S	Bend	trans	-80.6	157.2	-177.1	-61.9	-66	146.2	-170.9	3.4	112	R147 V352 L366 D373 L374	R147-R369 PolarHBondContact NH1-O 2.92Å; V352-R369 HydrophobicContact CB-CG 4.24Å; V352-R369 HydrophobicContact CG2-CG 3.89Å; V352-R369 PolarHBondContact O-NE 3.37Å; L366-R369 PolarHBondContact O-N 3.09Å; R369-D373 HydrophobicContact CB-CB 4.39Å; R369-L374 HydrophobicContact CB-CD2 4.02Å; R369-L374 HydrophobicContact CB-CG 4.11Å
370	S	95.1	Very high	89.7	Confident	44 Å²	44	63.8 Å²	63.8	31%	0.308	31%	0.313	S	S	.	.			trans	-71.6	153.6	174.1	91.7	0	0	0	0	110.2	N372 D373 L374	S370-N372 PolarHBondContact O-N 2.81Å; S370-N372 PolarHBondContact OG-N 3.42Å; S370-D373 PolarHBondContact N-OD2 2.96Å; S370-D373 PolarHBondContact O-N 3.05Å; S370-D373 PolarHBondContact OG-N 2.88Å; S370-D373 PolarHBondContact OG-OD1 3.32Å; S370-D373 PolarHBondContact OG-OD2 3.03Å; S370-L374 WeakPolarHBondContact O-CG 3.2Å; S370-L374 PolarHBondContact O-N 3.13Å
371	P	94.7	Very high	88.6	Confident	25 Å²	25	59.2 Å²	59.2	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-55	-38.1	171.3	-28.6	38.2	0	0	0	112.7	P172 E193 L254 L374 V375	P172-P371 HydrophobicContact CB-CB 3.95Å; P172-P371 HydrophobicContact CG-CB 3.96Å; E193-P371 HydrophobicContact CB-CG 4.12Å; E193-P371 HydrophobicContact CG-CG 4.28Å; E193-P371 WeakPolarHBondContact OE2-CG 3.18Å; L254-P371 HydrophobicContact CD1-CB 4.3Å; P371-L374 PolarHBondContact O-N 3.34Å; P371-V375 VanDerWaalsContact O-CG2 3.3Å; P371-V375 WeakPolarHBondContact O-CG2 3.29Å; P371-V375 PolarHBondContact O-N 3.39Å
372	N	92.6	Very high	87.3	Confident	97 Å²	97	59 Å²	59	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-44.8	179.3	-65.8	-1.8	0	0	0	111.1	S370 L374 V375 E376	S370-N372 PolarHBondContact O-N 2.81Å; S370-N372 PolarHBondContact OG-N 3.42Å; N372-L374 PolarHBondContact O-N 3.45Å; N372-V375 PolarHBondContact O-N 2.83Å; N372-V375 VanDerWaalsContact O-N 3.15Å; N372-E376 WeakPolarHBondContact O-CB 3.12Å; N372-E376 WeakPolarHBondContact O-CG 3.1Å; N372-E376 PolarHBondContact O-N 3.28Å
373	D	92.9	Very high	86.4	Confident	66 Å²	66	61.7 Å²	61.7	35%	0.353	30%	0.3	S	S	.	.	H	α-helix	trans	-57.6	-38.1	177.4	-54.5	-6.2	0	0	0	111.1	V352 R369 S370 G377	V352-D373 HydrophobicContact CG1-CB 4.45Å; V352-D373 VanDerWaalsContact CG1-O 3.3Å; V352-D373 WeakPolarHBondContact CG1-O 2.95Å; R369-D373 HydrophobicContact CB-CB 4.39Å; S370-D373 PolarHBondContact N-OD2 2.96Å; S370-D373 PolarHBondContact O-N 3.05Å; S370-D373 PolarHBondContact OG-N 2.88Å; S370-D373 PolarHBondContact OG-OD1 3.32Å; S370-D373 PolarHBondContact OG-OD2 3.03Å; D373-G377 WeakPolarHBondContact O-CA 3.43Å; D373-G377 PolarHBondContact O-N 2.85Å
374	L	94	Very high	86.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-72.2	-42	179.9	-65.6	175.5	0	0	0	111.7	F148 P253 L254 L348 V352 L366 R369 S370 P371 N372 V378	F148-L374 HydrophobicContact CZ-CD1 3.93Å; P253-L374 HydrophobicContact CG-CB 4.03Å; P253-L374 WeakPolarHBondContact CG-O 3.28Å; L254-L374 HydrophobicContact CD2-CD1 3.93Å; L348-L374 HydrophobicContact CD2-CD2 4.27Å; V352-L374 HydrophobicContact CG2-CD2 4.43Å; L366-L374 HydrophobicContact CD2-CD2 3.65Å; R369-L374 HydrophobicContact CB-CD2 4.02Å; R369-L374 HydrophobicContact CB-CG 4.11Å; S370-L374 WeakPolarHBondContact O-CG 3.2Å; S370-L374 PolarHBondContact O-N 3.13Å; P371-L374 PolarHBondContact O-N 3.34Å; N372-L374 PolarHBondContact O-N 3.45Å; L374-V378 WeakPolarHBondContact O-CG2 3.38Å; L374-V378 PolarHBondContact O-N 2.96Å
375	V	92.6	Very high	86.1	Confident	19 Å²	19	57.3 Å²	57.3	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-48.6	178.8	168.2	0	0	0	0	110.9	P172 Q173 D174 P371 N372 G377 V378	P172-V375 HydrophobicContact CB-CG2 4.14Å; Q173-V375 VanDerWaalsContact C-CG1 3.48Å; D174-V375 HydrophobicContact CB-CG1 3.87Å; D174-V375 VanDerWaalsContact N-CG1 3.26Å; P371-V375 VanDerWaalsContact O-CG2 3.3Å; P371-V375 WeakPolarHBondContact O-CG2 3.29Å; P371-V375 PolarHBondContact O-N 3.39Å; N372-V375 PolarHBondContact O-N 2.83Å; N372-V375 VanDerWaalsContact O-N 3.15Å; V375-G377 VanDerWaalsContact C-N 3.27Å; V375-G377 PolarHBondContact O-N 3.01Å; V375-V378 WeakPolarHBondContact O-CB 3.32Å; V375-V378 WeakPolarHBondContact O-CG2 3.25Å; V375-V378 PolarHBondContact O-N 3.33Å
376	E	88	Confident	86	Confident	144 Å²	144	56.7 Å²	56.7	67%	0.673	28%	0.276	S	S	*	.	H	α-helix	trans	-65.3	-32.1	175.9	-69.9	175.4	-167.5	0	0	111.9	N372 V378	N372-E376 WeakPolarHBondContact O-CB 3.12Å; N372-E376 WeakPolarHBondContact O-CG 3.1Å; N372-E376 PolarHBondContact O-N 3.28Å; E376-V378 PolarHBondContact O-N 3.38Å
377	G	84	Confident	86.1	Confident	4 Å²	4	56.7 Å²	56.7	4%	0.041	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.6	177.8	0	0	0	0	0	114.5	L348 H351 D373 V375 E379	L348-G377 WeakPolarHBondContact CD1-O 3.32Å; H351-G377 WeakPolarHBondContact CD2-CA 3.24Å; D373-G377 WeakPolarHBondContact O-CA 3.43Å; D373-G377 PolarHBondContact O-N 2.85Å; V375-G377 VanDerWaalsContact C-N 3.27Å; V375-G377 PolarHBondContact O-N 3.01Å; G377-E379 PolarHBondContact O-N 2.94Å
378	V	80.6	Confident	86.2	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.145	27%	0.265	C	S	.	.	S	Bend	trans	-69.3	109.2	164.1	-170.1	0	0	0	0	106.5	P253 L374 V375 E376 A384 F385	P253-V378 HydrophobicContact CG-CG2 3.92Å; L374-V378 WeakPolarHBondContact O-CG2 3.38Å; L374-V378 PolarHBondContact O-N 2.96Å; V375-V378 WeakPolarHBondContact O-CB 3.32Å; V375-V378 WeakPolarHBondContact O-CG2 3.25Å; V375-V378 PolarHBondContact O-N 3.33Å; E376-V378 PolarHBondContact O-N 3.38Å; V378-A384 HydrophobicContact CG1-CB 4.38Å; V378-F385 HydrophobicContact CB-CE2 4.5Å; V378-F385 HydrophobicContact CG1-CD2 4.06Å; V378-F385 HydrophobicContact CG1-CE2 4.21Å; V378-F385 HydrophobicContact CG2-CD2 3.82Å; V378-F385 HydrophobicContact CG2-CE2 3.82Å
379	E	65	Low	86.3	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	24%	0.241	S	C	.	.			trans	-50.7	169.1	170.9	-67.9	-178.7	167.8	0	0	111.4	K347 G377 N381	K347-E379 VanDerWaalsContact CE-CD 3.45Å; K347-E379 WeakPolarHBondContact CE-OE1 3.25Å; K347-E379 WeakPolarHBondContact CE-OE2 3.44Å; K347-E379 IonicContact NZ-OE1 3.63Å; K347-E379 PolarHBondContact NZ-OE1 2.99Å; K347-E379 IonicContact NZ-OE2 2.85Å; K347-E379 PolarHBondContact NZ-OE2 2.86Å; G377-E379 PolarHBondContact O-N 2.94Å; E379-N381 CarbonylContact O-C 3.38Å; E379-N381 PolarHBondContact O-N 2.88Å
380	Y	61.2	Low	86.3	Confident	245 Å²	245	47 Å²	47	96%	0.961	23%	0.228	S	C	*	.	S	Bend	trans	-51.6	-2	172.7	-63.6	-75.3	0	0	0	115.5	R382	Y380-R382 PolarHBondContact O-N 3.2Å
381	N	68.7	Low	86.4	Confident	55 Å²	55	46.4 Å²	46.4	29%	0.294	23%	0.229	S	C	.	.			trans	-79.9	85.1	166.3	-169.5	11.7	0	0	0	112.4	E379 Y383 A384	E379-N381 CarbonylContact O-C 3.38Å; E379-N381 PolarHBondContact O-N 2.88Å; N381-Y383 PolarHBondContact O-N 3.04Å; N381-Y383 PolarHBondContact OD1-N 3.28Å; N381-A384 WeakPolarHBondContact O-CB 3.5Å; N381-A384 PolarHBondContact O-N 3.22Å; N381-A384 VanDerWaalsContact O-N 3.12Å
382	R	66.9	Low	86.4	Confident	61 Å²	61	49.5 Å²	49.5	23%	0.23	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-16	173.8	-65.1	179.9	-178.4	-134.8	0.7	115.4	A177 Q225 Y380 S428	A177-R382 PolarHBondContact O-NH1 2.85Å; A177-R382 PolarHBondContact O-NH2 2.86Å; Q225-R382 VanDerWaalsContact CD-O 3.25Å; Q225-R382 HydrophobicContact CG-CB 4.4Å; Q225-R382 WeakPolarHBondContact CG-O 3.22Å; Q225-R382 PolarHBondContact NE2-O 3.33Å; Y380-R382 PolarHBondContact O-N 3.2Å; R382-S428 PolarHBondContact NH2-O 3.35Å
383	Y	75.7	Confident	86.6	Confident	61 Å²	61	44.9 Å²	44.9	24%	0.239	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	15.8	-176.1	-53.5	-67.8	0	0	0	113	H332 N381 L386	H332-Y383 HydrophobicContact CB-CD1 4.23Å; H332-Y383 HydrophobicContact CB-CE1 4.34Å; H332-Y383 AromaticContact CD2-CE1 3.63Å; H332-Y383 VanDerWaalsContact O-CD1 3.29Å; H332-Y383 WeakPolarHBondContact O-CD1 3.36Å; N381-Y383 PolarHBondContact O-N 3.04Å; N381-Y383 PolarHBondContact OD1-N 3.28Å; Y383-L386 WeakPolarHBondContact O-CD1 3.16Å
384	A	86.3	Confident	86.7	Confident	12 Å²	12	42 Å²	42	10%	0.099	20%	0.204	C	C	.	.	S	Bend	trans	-72	-32.6	-179.4	0	0	0	0	0	113.4	N344 V378 N381	N344-A384 HydrophobicContact CB-CB 4.5Å; N344-A384 PolarHBondContact ND2-O 3.25Å; V378-A384 HydrophobicContact CG1-CB 4.38Å; N381-A384 WeakPolarHBondContact O-CB 3.5Å; N381-A384 PolarHBondContact O-N 3.22Å; N381-A384 VanDerWaalsContact O-N 3.12Å
385	F	94	Very high	86.8	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.026	22%	0.218	C	C	.	.	S	Bend	trans	-124.4	98.9	-174.6	-63.2	-72.6	0	0	0	110.5	Q225 P253 F256 L257 N344 L348 V378	Q225-F385 PolarHBondContact NE2-O 2.75Å; P253-F385 HydrophobicContact CB-CD1 4.42Å; P253-F385 HydrophobicContact CB-CD2 4.2Å; P253-F385 HydrophobicContact CB-CE2 4.3Å; P253-F385 HydrophobicContact CB-CG 4.27Å; P253-F385 HydrophobicContact CB-CZ 4.47Å; F256-F385 HydrophobicContact CB-CB 4.15Å; L257-F385 HydrophobicContact CB-CD1 4.49Å; L257-F385 HydrophobicContact CB-CE1 4.48Å; L257-F385 HydrophobicContact CG-CE1 4.37Å; N344-F385 HydrophobicContact CB-CE1 4.33Å; N344-F385 HydrophobicContact CB-CZ 4.43Å; L348-F385 HydrophobicContact CB-CE2 4.37Å; L348-F385 HydrophobicContact CB-CZ 3.76Å; L348-F385 HydrophobicContact CD2-CE1 4.25Å; L348-F385 HydrophobicContact CD2-CE2 3.96Å; L348-F385 HydrophobicContact CD2-CZ 3.53Å; L348-F385 HydrophobicContact CG-CZ 4.22Å; V378-F385 HydrophobicContact CB-CE2 4.5Å; V378-F385 HydrophobicContact CG1-CD2 4.06Å; V378-F385 HydrophobicContact CG1-CE2 4.21Å; V378-F385 HydrophobicContact CG2-CD2 3.82Å; V378-F385 HydrophobicContact CG2-CE2 3.82Å
386	L	95.3	Very high	87	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.224	C	C	.	.			trans	-135.8	168	-173.5	-62.8	171.7	0	0	0	109.3	F224 H332 I335 Y383 V388	F224-L386 HydrophobicContact CB-CD2 4.37Å; F224-L386 HydrophobicContact CD2-CD2 3.87Å; H332-L386 WeakPolarHBondContact O-CD1 3.39Å; I335-L386 HydrophobicContact CD1-CB 4.12Å; I335-L386 HydrophobicContact CG1-CB 4.13Å; I335-L386 HydrophobicContact CG1-CD1 4.33Å; Y383-L386 WeakPolarHBondContact O-CD1 3.16Å; L386-V388 WeakPolarHBondContact O-CG2 3.46Å; L386-V388 PolarHBondContact O-N 2.96Å
387	P	97.6	Very high	87.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.			trans	-42.9	134.1	164.5	-32.4	35.3	0	0	0	113.4	F224 F256 N266 L269 L307 Q333 V334 I335	F224-P387 HydrophobicContact CD1-CG 4.44Å; F224-P387 HydrophobicContact CD2-CG 4.16Å; F224-P387 HydrophobicContact CE1-CG 3.94Å; F224-P387 VanDerWaalsContact CE2-CD 3.47Å; F224-P387 HydrophobicContact CE2-CG 3.62Å; F224-P387 HydrophobicContact CZ-CG 3.48Å; F224-P387 VanDerWaalsContact CZ-CG 3.48Å; F256-P387 HydrophobicContact CD1-CG 4.26Å; F256-P387 HydrophobicContact CE1-CG 3.79Å; N266-P387 WeakPolarHBondContact OD1-CA 3.47Å; L269-P387 HydrophobicContact CD1-CB 4.03Å; L269-P387 HydrophobicContact CD1-CG 4.22Å; L307-P387 HydrophobicContact CD1-CB 3.61Å; L307-P387 HydrophobicContact CD1-CG 3.81Å; Q333-P387 WeakPolarHBondContact O-CD 3.45Å; V334-P387 CarbonylContact C-O 3.53Å; V334-P387 WeakPolarHBondContact CA-O 3.25Å; V334-P387 HydrophobicContact CG2-CB 4.48Å; I335-P387 PolarHBondContact N-O 2.87Å
388	V	96.9	Very high	88	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-117.4	145.3	-178.3	-173.4	0	0	0	0	109.6	N266 I335 T338 A341 L386 D390	N266-V388 PolarHBondContact ND2-O 3.06Å; N266-V388 PolarHBondContact OD1-N 3.38Å; N266-V388 PolarHBondContact OD1-O 3.42Å; I335-V388 HydrophobicContact CB-CG2 4.3Å; I335-V388 HydrophobicContact CD1-CG2 4.49Å; T338-V388 HydrophobicContact CG2-CG1 4.35Å; A341-V388 HydrophobicContact CB-CG1 3.93Å; A341-V388 HydrophobicContact CB-CG2 3.84Å; L386-V388 WeakPolarHBondContact O-CG2 3.46Å; L386-V388 PolarHBondContact O-N 2.96Å; V388-D390 PolarHBondContact O-N 2.98Å
389	V	96.4	Very high	88.7	Confident	22 Å²	22	41.1 Å²	41.1	13%	0.133	21%	0.209	C	C	.	.			trans	-69	102.2	166.6	176.5	0	0	0	0	108.9	I335 T336 T338 V394	I335-V389 PolarHBondContact O-N 2.8Å; I335-V389 VanDerWaalsContact O-N 3.11Å; T336-V389 HydrophobicContact CG2-CG2 4.27Å; T338-V389 WeakPolarHBondContact CG2-O 3.48Å; V389-V394 HydrophobicContact CG2-CG1 4.12Å
390	D	95.2	Very high	90.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.027	20%	0.204	C	C	.	.			trans	-103.5	-2.2	-174.7	65.8	2	0	0	0	113.2	H262 N266 V388 N392 F393 V394	H262-D390 WeakPolarHBondContact CA-O 3.4Å; H262-D390 PolarHBondContact ND1-O 2.9Å; N266-D390 PolarHBondContact ND2-OD2 3.49Å; V388-D390 PolarHBondContact O-N 2.98Å; D390-N392 PolarHBondContact O-N 3.12Å; D390-N392 PolarHBondContact OD1-N 2.77Å; D390-F393 PolarHBondContact OD1-N 3.45Å; D390-F393 WeakPolarHBondContact OD2-CB 3.42Å; D390-F393 PolarHBondContact OD2-N 3.42Å; D390-V394 PolarHBondContact N-O 2.89Å; D390-V394 PolarHBondContact OD1-N 2.68Å
391	G	95.4	Very high	91.8	Very high	32 Å²	32	28.5 Å²	28.5	33%	0.33	16%	0.162	S	C	.	.	S	Bend	trans	74.3	-3.8	-177.8	0	0	0	0	0	114.9	V394	G391-V394 PolarHBondContact N-O 3.38Å; G391-V394 VanDerWaalsContact N-O 3.1Å
392	N	94.9	Very high	93.2	Very high	90 Å²	90	26.2 Å²	26.2	48%	0.481	15%	0.15	S	C	.	.	S	Bend	trans	-120.3	-77.9	-176.1	-73.7	-35	0	0	0	110.6	H262 D390	H262-N392 PolarHBondContact O-ND2 3.07Å; D390-N392 PolarHBondContact O-N 3.12Å; D390-N392 PolarHBondContact OD1-N 2.77Å
393	F	96.5	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-70.9	-42.6	178.4	-164.6	-79.2	0	0	0	110.9	L269 M270 N273 H308 S311 M313 D390 P395	L269-F393 HydrophobicContact CB-CD1 4.03Å; L269-F393 HydrophobicContact CB-CE1 3.66Å; L269-F393 HydrophobicContact CB-CZ 3.94Å; L269-F393 HydrophobicContact CD1-CD1 3.96Å; L269-F393 HydrophobicContact CD1-CE1 4Å; L269-F393 HydrophobicContact CG-CE1 4.36Å; M270-F393 HydrophobicContact CG-CD2 4.09Å; M270-F393 HydrophobicContact CG-CE2 4.47Å; N273-F393 HydrophobicContact CB-CE2 3.7Å; N273-F393 HydrophobicContact CB-CZ 4.04Å; H308-F393 AromaticContact CE1-CZ 3.63Å; H308-F393 AromaticContact ND1-CZ 3.68Å; S311-F393 WeakPolarHBondContact CA-O 3.39Å; S311-F393 WeakPolarHBondContact CB-O 3.43Å; S311-F393 PolarHBondContact OG-O 3.22Å; M313-F393 HydrophobicContact CB-CD2 4.23Å; M313-F393 HydrophobicContact CB-CE2 4.27Å; M313-F393 HydrophobicContact CE-CD2 4.24Å; M313-F393 HydrophobicContact CG-CD2 4.47Å; M313-F393 HydrophobicContact SD-CB 4.14Å; M313-F393 HydrophobicContact SD-CD2 3.63Å; M313-F393 HydrophobicContact SD-CE2 4.48Å; M313-F393 HydrophobicContact SD-CG 4.3Å; D390-F393 PolarHBondContact OD1-N 3.45Å; D390-F393 WeakPolarHBondContact OD2-CB 3.42Å; D390-F393 PolarHBondContact OD2-N 3.42Å; F393-P395 WeakPolarHBondContact O-CD 3.3Å
394	V	96.8	Very high	95.4	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	19%	0.189	C	C	.	.	S	Bend	trans	-115.7	90.2	172.9	-174.8	0	0	0	0	107.5	L269 L307 V389 D390 G391 A396	L269-V394 HydrophobicContact CD1-CG2 4.11Å; L307-V394 HydrophobicContact CD2-CG1 4.25Å; L307-V394 HydrophobicContact CD2-CG2 4.25Å; V389-V394 HydrophobicContact CG2-CG1 4.12Å; D390-V394 PolarHBondContact N-O 2.89Å; D390-V394 PolarHBondContact OD1-N 2.68Å; G391-V394 PolarHBondContact N-O 3.38Å; G391-V394 VanDerWaalsContact N-O 3.1Å; V394-A396 VanDerWaalsContact C-N 3.32Å; V394-A396 PolarHBondContact O-N 2.61Å
395	P	95.9	Very high	95.8	Very high	46 Å²	46	35.7 Å²	35.7	30%	0.299	21%	0.206	S	C	.	.			trans	-63.9	-32.6	-168.4	-25.3	34.7	0	0	0	114.9	P312 F393	P312-P395 HydrophobicContact CG-CG 3.94Å; F393-P395 WeakPolarHBondContact O-CD 3.3Å
396	A	96.3	Very high	95.9	Very high	29 Å²	29	37.4 Å²	37.4	24%	0.24	22%	0.222	C	C	.	.	S	Bend	trans	-155.4	176.5	179.7	0	0	0	0	0	109.6	V394 L401	V394-A396 VanDerWaalsContact C-N 3.32Å; V394-A396 PolarHBondContact O-N 2.61Å; A396-L401 HydrophobicContact CB-CD2 3.95Å; A396-L401 HydrophobicContact CB-CG 4.04Å
397	S	95.8	Very high	95.9	Very high	32 Å²	32	38 Å²	38	22%	0.224	23%	0.225	C	C	.	.			trans	-50.4	130.8	171.4	172.2	0	0	0	0	110.9	E399 V400 L401	S397-E399 PolarHBondContact O-N 2.89Å; S397-V400 WeakPolarHBondContact O-CB 3.16Å; S397-V400 PolarHBondContact O-N 2.91Å; S397-L401 PolarHBondContact O-N 3.02Å
398	P	96.7	Very high	95.8	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-51.8	-40.3	178.6	-31.9	38.3	0	0	0	113.9	L307 L310 D328 L329 V334 V400 L401 L402	L307-P398 HydrophobicContact CD2-CG 3.8Å; L310-P398 HydrophobicContact CD1-CB 3.6Å; L310-P398 HydrophobicContact CD1-CG 4.28Å; D328-P398 HydrophobicContact CB-CB 4.25Å; D328-P398 HydrophobicContact CB-CG 4.35Å; L329-P398 HydrophobicContact CD2-CB 3.98Å; V334-P398 HydrophobicContact CG1-CG 4.36Å; P398-V400 VanDerWaalsContact C-N 3.35Å; P398-V400 PolarHBondContact O-N 3.47Å; P398-L401 PolarHBondContact O-N 3.5Å; P398-L402 WeakPolarHBondContact O-CG 3.42Å; P398-L402 PolarHBondContact O-N 3.14Å
399	E	95	Very high	95.8	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-42.7	176.3	179.8	159.6	-167.2	0	0	112.2	L329 S397 Q403 K503 M507	L329-E399 HydrophobicContact CD2-CB 3.85Å; S397-E399 PolarHBondContact O-N 2.89Å; E399-Q403 WeakPolarHBondContact O-CB 3.28Å; E399-Q403 WeakPolarHBondContact O-CG 3.27Å; E399-Q403 PolarHBondContact O-N 2.88Å; E399-Q403 PolarHBondContact OE1-NE2 3.46Å; E399-K503 VanDerWaalsContact OE1-CE 3.28Å; E399-K503 WeakPolarHBondContact OE1-CE 3.19Å; E399-K503 IonicContact OE1-NZ 3.67Å; E399-K503 PolarHBondContact OE1-NZ 3.33Å; E399-K503 IonicContact OE2-NZ 3.67Å; E399-K503 PolarHBondContact OE2-NZ 3.3Å; E399-M507 HydrophobicContact CG-CE 4.06Å; E399-M507 HydrophobicContact CG-SD 4.36Å
400	V	95.7	Very high	95.8	Very high	52 Å²	52	42.5 Å²	42.5	32%	0.315	26%	0.26	S	S	.	.	H	α-helix	trans	-68.9	-36.7	179.1	175.2	0	0	0	0	111.3	S397 P398 K404	S397-V400 WeakPolarHBondContact O-CB 3.16Å; S397-V400 PolarHBondContact O-N 2.91Å; P398-V400 VanDerWaalsContact C-N 3.35Å; P398-V400 PolarHBondContact O-N 3.47Å; V400-K404 HydrophobicContact CG1-CD 4.15Å; V400-K404 WeakPolarHBondContact O-CB 3.49Å; V400-K404 WeakPolarHBondContact O-CG 3.4Å; V400-K404 PolarHBondContact O-N 3.32Å
401	L	96.5	Very high	95.9	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-46.9	177.1	-67.8	174.7	0	0	0	111.1	L310 A396 S397 P398 K404 G405 A406	L310-L401 HydrophobicContact CB-CD1 4.04Å; L310-L401 HydrophobicContact CD1-CB 4.45Å; L310-L401 HydrophobicContact CD1-CD1 4.27Å; L310-L401 HydrophobicContact CD2-CB 4.11Å; A396-L401 HydrophobicContact CB-CD2 3.95Å; A396-L401 HydrophobicContact CB-CG 4.04Å; S397-L401 PolarHBondContact O-N 3.02Å; P398-L401 PolarHBondContact O-N 3.5Å; L401-K404 PolarHBondContact O-N 2.92Å; L401-G405 PolarHBondContact O-N 3.31Å; L401-A406 HydrophobicContact CD2-CB 4.08Å; L401-A406 PolarHBondContact O-N 3.46Å
402	L	96.6	Very high	96	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-45.1	177.6	-70.9	170	0	0	0	112	L310 L329 P398 K404 G405 V407 M507 R508	L310-L402 HydrophobicContact CD2-CD2 4.03Å; L310-L402 HydrophobicContact CD2-CG 4.25Å; L329-L402 HydrophobicContact CD1-CD1 4.02Å; L329-L402 HydrophobicContact CD2-CD1 4.06Å; L329-L402 HydrophobicContact CG-CD1 4.19Å; P398-L402 WeakPolarHBondContact O-CG 3.42Å; P398-L402 PolarHBondContact O-N 3.14Å; L402-K404 PolarHBondContact O-N 3.5Å; L402-G405 PolarHBondContact O-N 3.4Å; L402-V407 HydrophobicContact CD2-CG2 3.88Å; L402-M507 HydrophobicContact CB-CB 4.08Å; L402-M507 HydrophobicContact CB-SD 4.31Å; L402-M507 HydrophobicContact CD1-CB 4.06Å; L402-M507 HydrophobicContact CD1-SD 4.35Å; L402-R508 HydrophobicContact CD2-CG 3.82Å
403	Q	94.8	Very high	96.2	Very high	127 Å²	127	38.2 Å²	38.2	59%	0.593	23%	0.231	S	C	*	.	H	α-helix	trans	-58.3	-33.9	176.3	-77.4	173.3	-3	0	0	113.2	E399 G405 M507	E399-Q403 WeakPolarHBondContact O-CB 3.28Å; E399-Q403 WeakPolarHBondContact O-CG 3.27Å; E399-Q403 PolarHBondContact O-N 2.88Å; E399-Q403 PolarHBondContact OE1-NE2 3.46Å; Q403-G405 VanDerWaalsContact C-N 3.32Å; Q403-M507 HydrophobicContact CG-CE 4.43Å
404	K	95.4	Very high	96.3	Very high	162 Å²	162	38.2 Å²	38.2	70%	0.704	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.3	177.7	-70.5	177.4	-179	178.7	0	113.4	V400 L401 L402 A406	V400-K404 HydrophobicContact CG1-CD 4.15Å; V400-K404 WeakPolarHBondContact O-CB 3.49Å; V400-K404 WeakPolarHBondContact O-CG 3.4Å; V400-K404 PolarHBondContact O-N 3.32Å; L401-K404 PolarHBondContact O-N 2.92Å; L402-K404 PolarHBondContact O-N 3.5Å; K404-A406 HydrophobicContact CB-CB 4.29Å; K404-A406 PolarHBondContact O-N 2.67Å
405	G	94.2	Very high	96.4	Very high	44 Å²	44	38 Å²	38	45%	0.454	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	20	-169.8	0	0	0	0	0	113.4	L401 L402 Q403 V407	L401-G405 PolarHBondContact O-N 3.31Å; L402-G405 PolarHBondContact O-N 3.4Å; Q403-G405 VanDerWaalsContact C-N 3.32Å; G405-V407 PolarHBondContact O-N 3.21Å
406	A	95.3	Very high	96.5	Very high	42 Å²	42	35.9 Å²	35.9	35%	0.347	22%	0.216	S	C	.	.			trans	-83.3	68.4	-179.5	0	0	0	0	0	110.3	L401 K404 P408	L401-A406 HydrophobicContact CD2-CB 4.08Å; L401-A406 PolarHBondContact O-N 3.46Å; K404-A406 HydrophobicContact CB-CB 4.29Å; K404-A406 PolarHBondContact O-N 2.67Å; A406-P408 WeakPolarHBondContact O-CD 3.22Å
407	V	95.8	Very high	96.6	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.097	20%	0.204	C	C	.	.			trans	-115.5	94.2	-176.3	-173.1	0	0	0	0	109.3	L310 L402 G405 S409 A410	L310-V407 HydrophobicContact CD2-CB 4.4Å; L310-V407 HydrophobicContact CD2-CG1 4.22Å; L310-V407 HydrophobicContact CD2-CG2 3.95Å; L402-V407 HydrophobicContact CD2-CG2 3.88Å; G405-V407 PolarHBondContact O-N 3.21Å; V407-S409 PolarHBondContact O-N 3Å; V407-A410 HydrophobicContact CB-CB 4.32Å; V407-A410 HydrophobicContact CG1-CB 4.08Å
408	P	96	Very high	96.7	Very high	61 Å²	61	33 Å²	33	40%	0.396	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.9	-178.3	-27.4	35.9	0	0	0	113.8	L310 P312 A315 A406	L310-P408 WeakPolarHBondContact O-CD 3.45Å; P312-P408 HydrophobicContact CG-CG 4.19Å; A315-P408 HydrophobicContact CB-CB 4.19Å; A406-P408 WeakPolarHBondContact O-CD 3.22Å
409	S	96.8	Very high	96.7	Very high	7 Å²	7	37 Å²	37	5%	0.049	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	72.1	177.7	-63.3	0	0	0	0	110.8	M309 A315 V407 V411	M309-S409 WeakPolarHBondContact CE-O 3.47Å; M309-S409 PolarHBondContact O-N 3.38Å; M309-S409 VanDerWaalsContact O-N 3.12Å; A315-S409 WeakPolarHBondContact CA-OG 3.43Å; V407-S409 PolarHBondContact O-N 3Å; S409-V411 PolarHBondContact O-N 3.29Å
410	A	95.5	Very high	96.8	Very high	51 Å²	51	35.7 Å²	35.7	42%	0.421	21%	0.207	S	C	.	.			trans	-75.2	53	174.1	0	0	0	0	0	112.3	V407	V407-A410 HydrophobicContact CB-CB 4.32Å; V407-A410 HydrophobicContact CG1-CB 4.08Å
411	V	97.6	Very high	96.9	Very high	21 Å²	21	33.2 Å²	33.2	13%	0.127	19%	0.192	C	C	.	.			trans	-78.7	165.9	178.5	-65.5	0	0	0	0	111.4	M309 F318 K319 A321 S409 Y413 S513	M309-V411 HydrophobicContact CE-CG2 3.94Å; F318-V411 HydrophobicContact CD2-CG2 3.93Å; F318-V411 HydrophobicContact CE2-CG2 3.65Å; K319-V411 WeakPolarHBondContact O-CB 3.35Å; A321-V411 HydrophobicContact CB-CG2 4.1Å; S409-V411 PolarHBondContact O-N 3.29Å; V411-Y413 PolarHBondContact O-N 2.82Å; V411-S513 WeakPolarHBondContact O-CB 3.42Å; V411-S513 PolarHBondContact O-OG 2.78Å
412	P	98.2	Very high	96.9	Very high	17 Å²	17	32.4 Å²	32.4	11%	0.11	19%	0.188	C	C	.	.			trans	-54.3	135.2	169	-30	40.7	0	0	0	112	A321 I514 F588 Q592	A321-P412 PolarHBondContact N-O 2.56Å; P412-I514 WeakPolarHBondContact CA-O 3.42Å; P412-F588 HydrophobicContact CB-CE2 4.21Å; P412-F588 HydrophobicContact CB-CZ 4.38Å; P412-Q592 HydrophobicContact CB-CB 4.07Å; P412-Q592 HydrophobicContact CG-CB 3.86Å; P412-Q592 HydrophobicContact CG-CG 4.36Å
413	Y	98.5	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.4	-170.4	-179	-116.2	0	0	0	110.7	V305 M309 A321 A323 V411 T415 S504 R508 I514 V515 Y516	V305-Y413 HydrophobicContact CG1-CE2 4.47Å; M309-Y413 HydrophobicContact CE-CD2 4.31Å; M309-Y413 HydrophobicContact SD-CD2 3.61Å; M309-Y413 HydrophobicContact SD-CE2 4.09Å; M309-Y413 HydrophobicContact SD-CG 4.37Å; A321-Y413 HydrophobicContact CB-CD2 4.08Å; A321-Y413 CarbonylContact O-C 3.41Å; A321-Y413 VanDerWaalsContact O-CA 3.31Å; A321-Y413 WeakPolarHBondContact O-CA 3.29Å; A323-Y413 HydrophobicContact CB-CE2 3.57Å; A323-Y413 WeakPolarHBondContact CB-OH 3.39Å; V411-Y413 PolarHBondContact O-N 2.82Å; Y413-T415 HydrophobicContact CD1-CG2 4.31Å; Y413-T415 HydrophobicContact CE1-CG2 3.76Å; Y413-S504 PolarHBondContact OH-OG 3.43Å; Y413-R508 VanDerWaalsContact CD1-CD 3.47Å; Y413-R508 VanDerWaalsContact CE1-CD 3.45Å; Y413-I514 PolarHBondContact N-O 2.78Å; Y413-V515 HydrophobicContact CD1-CG1 4.11Å; Y413-V515 HydrophobicContact CD1-CG2 4.3Å; Y413-V515 CarbonylContact O-C 3.59Å; Y413-V515 VanDerWaalsContact O-CA 3.25Å; Y413-V515 WeakPolarHBondContact O-CA 3.33Å; Y413-Y516 PolarHBondContact O-N 2.59Å
414	L	98.6	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.4	171.1	-172.4	157.5	0	0	0	108.4	A321 A322 A323 Y516 Y518 W585 F588 P594 W602	A321-L414 PolarHBondContact O-N 3.35Å; A322-L414 CarbonylContact C-O 3.36Å; A322-L414 WeakPolarHBondContact CA-O 3.34Å; A322-L414 HydrophobicContact CB-CB 4.06Å; A322-L414 HydrophobicContact CB-CD2 4.28Å; A323-L414 PolarHBondContact N-O 2.94Å; L414-Y516 CarbonylContact C-O 3.52Å; L414-Y516 WeakPolarHBondContact CA-O 3.37Å; L414-Y518 HydrophobicContact CD2-CD1 3.96Å; L414-Y518 HydrophobicContact CD2-CE1 3.77Å; L414-W585 HydrophobicContact CD1-CH2 4.44Å; L414-W585 HydrophobicContact CD2-CH2 3.64Å; L414-W585 HydrophobicContact CD2-CZ2 3.43Å; L414-W585 VanDerWaalsContact CD2-CZ2 3.43Å; L414-W585 HydrophobicContact CD2-CZ3 4.46Å; L414-F588 HydrophobicContact CB-CD1 4.08Å; L414-F588 HydrophobicContact CB-CD2 4.37Å; L414-F588 HydrophobicContact CB-CE1 3.67Å; L414-F588 HydrophobicContact CB-CE2 3.99Å; L414-F588 HydrophobicContact CB-CG 4.41Å; L414-F588 HydrophobicContact CB-CZ 3.62Å; L414-F588 HydrophobicContact CD1-CB 4.25Å; L414-F588 HydrophobicContact CD1-CD1 4.11Å; L414-F588 HydrophobicContact CD1-CD2 4.17Å; L414-F588 HydrophobicContact CD1-CG 3.91Å; L414-P594 HydrophobicContact CD1-CB 3.8Å; L414-P594 HydrophobicContact CD1-CG 4.23Å; L414-W602 HydrophobicContact CD1-CH2 3.96Å; L414-W602 HydrophobicContact CD1-CZ2 4.39Å; L414-W602 HydrophobicContact CD2-CH2 4.46Å; L414-W602 HydrophobicContact CG-CH2 4.3Å; L414-W602 HydrophobicContact CG-CZ2 4.35Å
415	T	98.6	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.2	174.2	-166.3	0	0	0	0	111.9	A323 Y413 V501 A505 V515 Y516 M517 Y518	A323-T415 WeakPolarHBondContact O-CA 3.44Å; A323-T415 PolarHBondContact O-OG1 3.5Å; Y413-T415 HydrophobicContact CD1-CG2 4.31Å; Y413-T415 HydrophobicContact CE1-CG2 3.76Å; T415-V501 HydrophobicContact CG2-CG1 4.05Å; T415-V501 WeakPolarHBondContact OG1-CG1 3.48Å; T415-A505 HydrophobicContact CG2-CB 4.11Å; T415-V515 HydrophobicContact CG2-CG1 4.5Å; T415-Y516 PolarHBondContact N-O 3Å; T415-M517 HydrophobicContact CG2-CB 4.44Å; T415-M517 HydrophobicContact CG2-CG 4.29Å; T415-M517 CarbonylContact O-C 3.51Å; T415-M517 WeakPolarHBondContact O-CA 3.23Å; T415-Y518 WeakPolarHBondContact O-CD1 3.33Å; T415-Y518 PolarHBondContact O-N 2.96Å
416	G	98.1	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	178.4	172.1	0	0	0	0	0	112.4	A323 S325 Y518	A323-G416 PolarHBondContact O-N 2.7Å; S325-G416 WeakPolarHBondContact CA-O 3.4Å; S325-G416 PolarHBondContact N-O 3.12Å; G416-Y518 VanDerWaalsContact CA-CE1 3.46Å; G416-Y518 WeakPolarHBondContact CA-O 3.33Å
417	I	98.5	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.1	-175.3	49.6	166.7	0	0	0	109.4	D421 V498 V501 Y518 V519 N520 Y625	I417-D421 WeakPolarHBondContact CA-OD2 3.35Å; I417-D421 WeakPolarHBondContact CB-OD2 3.15Å; I417-V498 HydrophobicContact CD1-CB 4.15Å; I417-V498 HydrophobicContact CD1-CG1 4Å; I417-V498 HydrophobicContact CD1-CG2 3.7Å; I417-V501 HydrophobicContact CG2-CB 3.94Å; I417-V501 HydrophobicContact CG2-CG1 4.01Å; I417-V501 HydrophobicContact CG2-CG2 3.88Å; I417-Y518 PolarHBondContact N-O 3.33Å; I417-V519 HydrophobicContact CD1-CG2 4.06Å; I417-V519 HydrophobicContact CG1-CB 4.49Å; I417-V519 HydrophobicContact CG1-CG1 4.41Å; I417-V519 HydrophobicContact CG1-CG2 3.91Å; I417-V519 WeakPolarHBondContact O-CA 3.33Å; I417-N520 PolarHBondContact O-N 3.42Å; I417-Y625 HydrophobicContact CD1-CD1 3.75Å; I417-Y625 HydrophobicContact CD1-CE1 3.34Å
418	N	98.4	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.1	165.5	-59.9	-63.9	0	0	0	108.9	S325 N420 D421 N520 A541 C542 H543 D546	S325-N418 PolarHBondContact OG-N 3.36Å; S325-N418 PolarHBondContact OG-ND2 3.47Å; N418-N420 PolarHBondContact O-N 3.05Å; N418-D421 WeakPolarHBondContact CB-OD1 3.34Å; N418-D421 PolarHBondContact N-OD2 2.7Å; N418-D421 PolarHBondContact ND2-OD1 2.93Å; N418-D421 PolarHBondContact O-N 3.01Å; N418-D421 VanDerWaalsContact O-N 3.14Å; N418-D421 VanDerWaalsContact O-OD2 3.12Å; N418-N520 VanDerWaalsContact OD1-CB 3.27Å; N418-N520 WeakPolarHBondContact OD1-CB 3.47Å; N418-N520 PolarHBondContact OD1-ND2 3.07Å; N418-A541 HydrophobicContact CB-CB 4.36Å; N418-A541 VanDerWaalsContact CB-O 3.26Å; N418-A541 WeakPolarHBondContact CB-O 3.43Å; N418-C542 VanDerWaalsContact CB-O 3.22Å; N418-C542 WeakPolarHBondContact CB-O 3.44Å; N418-C542 PolarHBondContact ND2-O 2.91Å; N418-C542 VanDerWaalsContact ND2-O 3.15Å; N418-H543 PolarHBondContact ND2-O 3.11Å; N418-D546 VanDerWaalsContact ND2-CG 3.3Å; N418-D546 PolarHBondContact ND2-OD1 3.18Å
419	Q	97.2	Very high	95.4	Very high	88 Å²	88	17.3 Å²	17.3	41%	0.411	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.1	-174.8	-174.2	172.8	0.7	0	0	113.4	N520 A541	Q419-N520 PolarHBondContact N-O 2.94Å; Q419-A541 HydrophobicContact CB-CB 4.2Å
420	N	97.5	Very high	94.6	Very high	37 Å²	37	21.1 Å²	21.1	20%	0.198	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	37.8	-179	-55.1	97.8	0	0	0	112.1	N418 G422 T423 I489 M539 A541	N418-N420 PolarHBondContact O-N 3.05Å; N420-G422 PolarHBondContact O-N 2.9Å; N420-G422 VanDerWaalsContact O-N 3.11Å; N420-T423 HydrophobicContact CB-CG2 3.97Å; N420-T423 WeakPolarHBondContact O-CB 3.46Å; N420-T423 WeakPolarHBondContact O-CG2 3.25Å; N420-T423 PolarHBondContact O-N 2.95Å; N420-T423 PolarHBondContact O-OG1 3.35Å; N420-I489 HydrophobicContact CB-CG2 4.01Å; N420-M539 VanDerWaalsContact CB-O 3.23Å; N420-M539 WeakPolarHBondContact CB-O 3.35Å; N420-A541 CarbonylContact C-O 3.52Å; N420-A541 WeakPolarHBondContact CA-O 3.45Å; N420-A541 WeakPolarHBondContact CB-O 3.45Å; N420-A541 PolarHBondContact N-O 3.36Å; N420-A541 PolarHBondContact OD1-N 3.49Å; N420-A541 VanDerWaalsContact OD1-N 3.12Å
421	D	97.3	Very high	93.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-35.6	175	-83.2	-46.3	0	0	0	112.7	S325 I417 N418 T423 E424 Y497 H543	S325-D421 WeakPolarHBondContact CB-OD1 3.36Å; S325-D421 VanDerWaalsContact OG-CG 3.22Å; S325-D421 PolarHBondContact OG-OD1 3.09Å; S325-D421 PolarHBondContact OG-OD2 2.77Å; I417-D421 WeakPolarHBondContact CA-OD2 3.35Å; I417-D421 WeakPolarHBondContact CB-OD2 3.15Å; N418-D421 WeakPolarHBondContact CB-OD1 3.34Å; N418-D421 PolarHBondContact N-OD2 2.7Å; N418-D421 PolarHBondContact ND2-OD1 2.93Å; N418-D421 PolarHBondContact O-N 3.01Å; N418-D421 VanDerWaalsContact O-N 3.14Å; N418-D421 VanDerWaalsContact O-OD2 3.12Å; D421-T423 PolarHBondContact O-N 3.36Å; D421-E424 PolarHBondContact O-N 2.92Å; D421-E424 VanDerWaalsContact O-N 3.15Å; D421-Y497 HydrophobicContact CB-CD1 4.19Å; D421-Y497 HydrophobicContact CB-CD2 3.42Å; D421-Y497 VanDerWaalsContact CB-CD2 3.42Å; D421-Y497 HydrophobicContact CB-CE2 3.8Å; D421-Y497 HydrophobicContact CB-CG 3.62Å; D421-H543 WeakPolarHBondContact OD1-CA 3.28Å; D421-H543 IonicContact OD1-CE1 3.12Å; D421-H543 IonicContact OD1-CG 3.36Å; D421-H543 IonicContact OD1-ND1 3.64Å; D421-H543 PolarHBondContact OD1-ND1 2.97Å
422	G	95.7	Very high	93.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.5	179	0	0	0	0	0	115.9	N420 E424 V425 S493	N420-G422 PolarHBondContact O-N 2.9Å; N420-G422 VanDerWaalsContact O-N 3.11Å; G422-E424 PolarHBondContact O-N 3.33Å; G422-V425 PolarHBondContact O-N 3.02Å; G422-S493 WeakPolarHBondContact CA-OG 2.97Å; G422-S493 PolarHBondContact N-OG 2.96Å
423	T	95.5	Very high	92.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-55.7	-33.5	170.5	51.3	0	0	0	0	113	N420 D421 V425 L426 L427 I489 W538 M539	N420-T423 HydrophobicContact CB-CG2 3.97Å; N420-T423 WeakPolarHBondContact O-CB 3.46Å; N420-T423 WeakPolarHBondContact O-CG2 3.25Å; N420-T423 PolarHBondContact O-N 2.95Å; N420-T423 PolarHBondContact O-OG1 3.35Å; D421-T423 PolarHBondContact O-N 3.36Å; T423-V425 PolarHBondContact O-N 3.45Å; T423-L426 PolarHBondContact O-N 3.21Å; T423-L426 VanDerWaalsContact O-N 3.12Å; T423-L427 WeakPolarHBondContact O-CG 3.4Å; T423-L427 PolarHBondContact O-N 3.12Å; T423-L427 VanDerWaalsContact O-N 3.11Å; T423-I489 HydrophobicContact CG2-CD1 4.05Å; T423-I489 HydrophobicContact CG2-CG1 4.32Å; T423-I489 HydrophobicContact CG2-CG2 4.05Å; T423-W538 HydrophobicContact CG2-CE3 4.34Å; T423-W538 HydrophobicContact CG2-CZ3 3.99Å; T423-M539 HydrophobicContact CG2-CB 4.23Å; T423-M539 HydrophobicContact CG2-CG 4.23Å
424	E	93.3	Very high	91.9	Very high	35 Å²	35	35.6 Å²	35.6	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-56.4	-38.7	177.5	-172.1	-169.6	-167.6	0	0	111.7	P179 D421 G422 L426 L427 S428 Y497 H543	P179-E424 HydrophobicContact CB-CG 3.81Å; P179-E424 HydrophobicContact CG-CG 3.89Å; D421-E424 PolarHBondContact O-N 2.92Å; D421-E424 VanDerWaalsContact O-N 3.15Å; G422-E424 PolarHBondContact O-N 3.33Å; E424-L426 VanDerWaalsContact C-N 3.32Å; E424-L426 PolarHBondContact O-N 3.25Å; E424-L427 PolarHBondContact O-N 3.45Å; E424-S428 PolarHBondContact O-N 2.97Å; E424-Y497 PolarHBondContact OE2-OH 3.2Å; E424-H543 HydrophobicContact CB-CB 3.89Å; E424-H543 IonicContact OE1-CD2 2.76Å; E424-H543 IonicContact OE2-CD2 3.82Å; E424-H543 PolarHBondContact OE2-CD2 2.64Å; E424-H543 IonicContact OE2-CE1 3.02Å; E424-H543 IonicContact OE2-CG 2.71Å; E424-H543 IonicContact OE2-NE2 3.13Å; E424-H543 PolarHBondContact OE2-NE2 3.17Å
425	V	91.8	Very high	91.3	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-37	-178.9	-174.9	0	0	0	0	111.2	G422 T423 S428 F488 A492 Y496	G422-V425 PolarHBondContact O-N 3.02Å; T423-V425 PolarHBondContact O-N 3.45Å; V425-S428 PolarHBondContact O-N 2.96Å; V425-S428 PolarHBondContact O-OG 3.15Å; V425-F488 HydrophobicContact CB-CE1 4.32Å; V425-F488 HydrophobicContact CB-CZ 4.43Å; V425-F488 HydrophobicContact CG1-CE1 4.14Å; V425-F488 HydrophobicContact CG1-CZ 3.81Å; V425-A492 HydrophobicContact CB-CB 4.19Å; V425-A492 HydrophobicContact CG2-CB 3.9Å; V425-Y496 HydrophobicContact CG2-CD2 3.92Å; V425-Y496 HydrophobicContact CG2-CE2 4.03Å
426	L	92.1	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-43.5	173	-71.5	175.2	0	0	0	111.7	T423 E424 S428 E429 L432 F437 V439 F443 R485 F488 I489 W538	T423-L426 PolarHBondContact O-N 3.21Å; T423-L426 VanDerWaalsContact O-N 3.12Å; E424-L426 VanDerWaalsContact C-N 3.32Å; E424-L426 PolarHBondContact O-N 3.25Å; L426-S428 PolarHBondContact O-N 3.21Å; L426-E429 PolarHBondContact O-N 2.98Å; L426-E429 VanDerWaalsContact O-N 3.1Å; L426-L432 HydrophobicContact CD2-CD1 3.77Å; L426-F437 HydrophobicContact CB-CD1 4.34Å; L426-V439 HydrophobicContact CD2-CG1 3.71Å; L426-F443 HydrophobicContact CD2-CE1 4.13Å; L426-F443 HydrophobicContact CD2-CZ 4.48Å; L426-R485 HydrophobicContact CD1-CG 3.75Å; L426-F488 HydrophobicContact CD1-CD1 4.19Å; L426-F488 HydrophobicContact CD2-CD1 3.44Å; L426-F488 VanDerWaalsContact CD2-CD1 3.44Å; L426-F488 HydrophobicContact CD2-CE1 3.46Å; L426-F488 VanDerWaalsContact CD2-CE1 3.46Å; L426-F488 HydrophobicContact CG-CD1 3.69Å; L426-F488 HydrophobicContact CG-CE1 3.68Å; L426-I489 HydrophobicContact CD1-CD1 3.91Å; L426-I489 HydrophobicContact CD1-CG1 3.65Å; L426-W538 HydrophobicContact CD1-CZ3 3.91Å
427	L	91.3	Very high	90.2	Very high	17 Å²	17	48.1 Å²	48.1	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-20	179.5	-64	179	0	0	0	112.9	P179 L181 T423 E424 E429 F437 W538 M539	P179-L427 HydrophobicContact CB-CB 3.95Å; L181-L427 HydrophobicContact CD2-CD2 3.58Å; L181-L427 HydrophobicContact CG-CD2 4.03Å; T423-L427 WeakPolarHBondContact O-CG 3.4Å; T423-L427 PolarHBondContact O-N 3.12Å; T423-L427 VanDerWaalsContact O-N 3.11Å; E424-L427 PolarHBondContact O-N 3.45Å; L427-E429 VanDerWaalsContact C-N 3.26Å; L427-E429 PolarHBondContact O-N 3.05Å; L427-F437 HydrophobicContact CD2-CD1 4.4Å; L427-F437 HydrophobicContact CD2-CE1 3.9Å; L427-F437 HydrophobicContact CD2-CE2 4.14Å; L427-F437 HydrophobicContact CD2-CZ 3.75Å; L427-W538 HydrophobicContact CD2-CH2 4.2Å; L427-M539 HydrophobicContact CD1-CE 3.86Å
428	S	86.8	Confident	89.7	Confident	20 Å²	20	50.9 Å²	50.9	14%	0.14	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.6	174.5	80.6	0	0	0	0	113.7	R382 E424 V425 L426	R382-S428 PolarHBondContact NH2-O 3.35Å; E424-S428 PolarHBondContact O-N 2.97Å; V425-S428 PolarHBondContact O-N 2.96Å; V425-S428 PolarHBondContact O-OG 3.15Å; L426-S428 PolarHBondContact O-N 3.21Å
429	E	86.1	Confident	89.4	Confident	56 Å²	56	51 Å²	51	26%	0.262	24%	0.24	S	C	.	.			trans	-101.1	87.2	-179.1	-62.9	-63.1	163.9	0	0	110.7	L426 L427 D431 L432 F443 K447	L426-E429 PolarHBondContact O-N 2.98Å; L426-E429 VanDerWaalsContact O-N 3.1Å; L427-E429 VanDerWaalsContact C-N 3.26Å; L427-E429 PolarHBondContact O-N 3.05Å; E429-D431 PolarHBondContact O-N 3.34Å; E429-D431 VanDerWaalsContact O-N 3.16Å; E429-L432 HydrophobicContact CB-CB 4.36Å; E429-L432 HydrophobicContact CB-CD1 3.72Å; E429-L432 HydrophobicContact CB-CG 3.78Å; E429-L432 HydrophobicContact CG-CD1 4.3Å; E429-L432 VanDerWaalsContact O-CB 3.31Å; E429-L432 WeakPolarHBondContact O-CB 3.49Å; E429-L432 PolarHBondContact O-N 2.85Å; E429-F443 HydrophobicContact CG-CE2 4.4Å; E429-F443 HydrophobicContact CG-CZ 4.23Å; E429-K447 WeakPolarHBondContact OE1-CE 3.28Å; E429-K447 IonicContact OE1-NZ 2.67Å; E429-K447 PolarHBondContact OE1-NZ 3.42Å
430	R	78.8	Confident	89.2	Confident	88 Å²	88	49.9 Å²	49.9	33%	0.332	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-56.9	-33	-176.3	-77.3	-170.6	164.1	-167.5	-1.6	114	D176 L432 A433	D176-R430 VanDerWaalsContact CA-CZ 3.47Å; D176-R430 VanDerWaalsContact CB-NH1 3.32Å; D176-R430 VanDerWaalsContact CG-NH1 3.27Å; D176-R430 PolarHBondContact O-NE 3.4Å; D176-R430 PolarHBondContact O-NH2 3Å; D176-R430 IonicContact OD1-CZ 3.73Å; D176-R430 IonicContact OD1-NH1 3.29Å; D176-R430 PolarHBondContact OD1-NH1 2.81Å; D176-R430 IonicContact OD1-NH2 3Å; D176-R430 PolarHBondContact OD1-NH2 3.39Å; D176-R430 VanDerWaalsContact OD1-NH2 3.12Å; R430-L432 PolarHBondContact O-N 2.79Å; R430-A433 WeakPolarHBondContact O-CB 3.24Å; R430-A433 PolarHBondContact O-N 2.81Å
431	D	82.4	Confident	88.9	Confident	136 Å²	136	50 Å²	50	73%	0.727	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-61.3	-27.4	178.1	-69.9	-26.2	0	0	0	112.4	E429 A433	E429-D431 PolarHBondContact O-N 3.34Å; E429-D431 VanDerWaalsContact O-N 3.16Å; D431-A433 VanDerWaalsContact C-N 3.27Å; D431-A433 PolarHBondContact O-N 3.34Å
432	L	86.5	Confident	88.6	Confident	15 Å²	15	57.6 Å²	57.6	8%	0.079	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-72.1	-19.6	175.6	-63.8	-175.6	0	0	0	113	L426 E429 R430 R434 L435 H436 F437 V439 F443	L426-L432 HydrophobicContact CD2-CD1 3.77Å; E429-L432 HydrophobicContact CB-CB 4.36Å; E429-L432 HydrophobicContact CB-CD1 3.72Å; E429-L432 HydrophobicContact CB-CG 3.78Å; E429-L432 HydrophobicContact CG-CD1 4.3Å; E429-L432 VanDerWaalsContact O-CB 3.31Å; E429-L432 WeakPolarHBondContact O-CB 3.49Å; E429-L432 PolarHBondContact O-N 2.85Å; R430-L432 PolarHBondContact O-N 2.79Å; L432-R434 VanDerWaalsContact C-N 3.25Å; L432-R434 PolarHBondContact O-N 2.88Å; L432-L435 CarbonylContact O-C 3.56Å; L432-L435 WeakPolarHBondContact O-CA 3.38Å; L432-L435 PolarHBondContact O-N 2.85Å; L432-H436 PolarHBondContact O-N 3.23Å; L432-F437 HydrophobicContact CB-CD1 3.81Å; L432-F437 HydrophobicContact CB-CE1 4.35Å; L432-F437 PolarHBondContact O-N 3.44Å; L432-V439 HydrophobicContact CD1-CG1 3.67Å; L432-V439 HydrophobicContact CD2-CG1 4.05Å; L432-F443 HydrophobicContact CD1-CE1 4.38Å; L432-F443 HydrophobicContact CD1-CE2 3.88Å; L432-F443 HydrophobicContact CD1-CZ 3.74Å; L432-F443 HydrophobicContact CD2-CD2 4.44Å; L432-F443 HydrophobicContact CD2-CE2 4.32Å; L432-F443 HydrophobicContact CG-CE2 4.42Å
433	A	84.1	Confident	88.5	Confident	13 Å²	13	59.1 Å²	59.1	11%	0.107	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.3	-38	178.5	0	0	0	0	0	111.6	F183 R430 D431 L435 H436 F437	F183-A433 HydrophobicContact CD1-CB 4.15Å; F183-A433 HydrophobicContact CE1-CB 3.53Å; F183-A433 HydrophobicContact CE2-CB 4.25Å; F183-A433 HydrophobicContact CZ-CB 3.6Å; R430-A433 WeakPolarHBondContact O-CB 3.24Å; R430-A433 PolarHBondContact O-N 2.81Å; D431-A433 VanDerWaalsContact C-N 3.27Å; D431-A433 PolarHBondContact O-N 3.34Å; A433-L435 PolarHBondContact O-N 3.35Å; A433-H436 PolarHBondContact O-N 3.41Å; A433-H436 VanDerWaalsContact O-N 3.07Å; A433-F437 HydrophobicContact CB-CE1 4.3Å; A433-F437 HydrophobicContact CB-CE2 4.25Å; A433-F437 HydrophobicContact CB-CZ 3.78Å
434	R	81.8	Confident	88.4	Confident	228 Å²	228	59.2 Å²	59.2	86%	0.86	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.8	174.8	-61.5	-175.7	75.6	177.5	3.9	113.1	L432	L432-R434 VanDerWaalsContact C-N 3.25Å; L432-R434 PolarHBondContact O-N 2.88Å
435	L	84.9	Confident	88.3	Confident	103 Å²	103	60.9 Å²	60.9	54%	0.539	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-103.8	16.5	177.8	-58.9	178.4	0	0	0	112	L432 A433 F437 I438	L432-L435 CarbonylContact O-C 3.56Å; L432-L435 WeakPolarHBondContact O-CA 3.38Å; L432-L435 PolarHBondContact O-N 2.85Å; A433-L435 PolarHBondContact O-N 3.35Å; L435-F437 PolarHBondContact O-N 2.92Å; L435-F437 VanDerWaalsContact O-N 3.13Å; L435-I438 WeakPolarHBondContact O-CB 3.45Å; L435-I438 WeakPolarHBondContact O-CG1 3.31Å; L435-I438 PolarHBondContact O-N 2.98Å
436	H	84.4	Confident	88.3	Confident	145 Å²	145	67.1 Å²	67.1	67%	0.671	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	32.5	-175.6	-56.9	-64.8	0	0	0	113.6	L432 A433 I438	L432-H436 PolarHBondContact O-N 3.23Å; A433-H436 PolarHBondContact O-N 3.41Å; A433-H436 VanDerWaalsContact O-N 3.07Å; H436-I438 PolarHBondContact O-N 2.73Å; H436-I438 VanDerWaalsContact O-N 3.17Å
437	F	89.3	Confident	88.3	Confident	16 Å²	16	68.3 Å²	68.3	7%	0.07	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	22.9	-176.6	-53.7	-83.5	0	0	0	114.4	L181 L426 L427 L432 A433 L435 R485 W538	L181-F437 HydrophobicContact CD2-CE2 4.07Å; L426-F437 HydrophobicContact CB-CD1 4.34Å; L427-F437 HydrophobicContact CD2-CD1 4.4Å; L427-F437 HydrophobicContact CD2-CE1 3.9Å; L427-F437 HydrophobicContact CD2-CE2 4.14Å; L427-F437 HydrophobicContact CD2-CZ 3.75Å; L432-F437 HydrophobicContact CB-CD1 3.81Å; L432-F437 HydrophobicContact CB-CE1 4.35Å; L432-F437 PolarHBondContact O-N 3.44Å; A433-F437 HydrophobicContact CB-CE1 4.3Å; A433-F437 HydrophobicContact CB-CE2 4.25Å; A433-F437 HydrophobicContact CB-CZ 3.78Å; L435-F437 PolarHBondContact O-N 2.92Å; L435-F437 VanDerWaalsContact O-N 3.13Å; F437-R485 VanDerWaalsContact O-CD 3.23Å; F437-R485 WeakPolarHBondContact O-CD 3.32Å; F437-W538 HydrophobicContact CB-CH2 4.05Å; F437-W538 HydrophobicContact CB-CZ2 3.92Å; F437-W538 HydrophobicContact CD2-CH2 4.34Å; F437-W538 AromaticContact CD2-CZ2 3.83Å; F437-W538 HydrophobicContact CD2-CZ2 3.83Å; F437-W538 HydrophobicContact CG-CH2 4.16Å; F437-W538 HydrophobicContact CG-CZ2 4.03Å
438	I	89.2	Confident	88.4	Confident	57 Å²	57	67.6 Å²	67.6	29%	0.292	31%	0.31	S	S	.	.			trans	-75.8	132.8	169.6	-61.8	175.9	0	0	0	108.3	L435 H436 N481	L435-I438 WeakPolarHBondContact O-CB 3.45Å; L435-I438 WeakPolarHBondContact O-CG1 3.31Å; L435-I438 PolarHBondContact O-N 2.98Å; H436-I438 PolarHBondContact O-N 2.73Å; H436-I438 VanDerWaalsContact O-N 3.17Å; I438-N481 HydrophobicContact CG2-CB 3.37Å
439	V	91.9	Very high	88.6	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.018	32%	0.321	C	S	.	.			trans	-127.5	148.2	-179.2	-64	0	0	0	0	110.7	L426 L432 F443 R485 F488	L426-V439 HydrophobicContact CD2-CG1 3.71Å; L432-V439 HydrophobicContact CD1-CG1 3.67Å; L432-V439 HydrophobicContact CD2-CG1 4.05Å; V439-F443 HydrophobicContact CB-CB 4.11Å; V439-F443 HydrophobicContact CB-CD1 3.68Å; V439-F443 HydrophobicContact CB-CE1 4.36Å; V439-F443 HydrophobicContact CB-CG 4Å; V439-F443 HydrophobicContact CG1-CB 4.48Å; V439-F443 HydrophobicContact CG1-CD1 3.55Å; V439-F443 HydrophobicContact CG1-CD2 4.44Å; V439-F443 HydrophobicContact CG1-CE1 3.79Å; V439-F443 HydrophobicContact CG1-CG 3.9Å; V439-F443 HydrophobicContact CG1-CZ 4.33Å; V439-F443 HydrophobicContact CG2-CD1 4.26Å; V439-R485 HydrophobicContact CG2-CB 3.92Å; V439-R485 HydrophobicContact CG2-CG 4.42Å; V439-F488 HydrophobicContact CG2-CB 4.22Å
440	D	91.7	Very high	88.7	Confident	64 Å²	64	69.1 Å²	69.1	34%	0.342	32%	0.317	S	S	.	.			trans	-102.6	174.7	176.1	73.4	-2.2	0	0	0	111.4	K442 F443 I444	D440-K442 PolarHBondContact O-N 3.4Å; D440-K442 WeakPolarHBondContact OD1-CB 3.35Å; D440-K442 PolarHBondContact OD1-N 3.2Å; D440-K442 VanDerWaalsContact OD1-N 3.11Å; D440-F443 WeakPolarHBondContact O-CB 3.42Å; D440-F443 PolarHBondContact O-N 3.28Å; D440-F443 PolarHBondContact OD1-N 3.46Å; D440-I444 PolarHBondContact O-N 3.15Å
441	N	91.8	Very high	89.1	Confident	41 Å²	41	65.2 Å²	65.2	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-22.9	178.5	-82.9	-64.5	0	0	0	113.4	I444 E445 V478	N441-I444 PolarHBondContact O-N 3.17Å; N441-E445 WeakPolarHBondContact O-CB 3.44Å; N441-E445 PolarHBondContact O-N 3.03Å; N441-V478 PolarHBondContact ND2-O 2.94Å
442	K	92.2	Very high	89.4	Confident	159 Å²	159	58.8 Å²	58.8	69%	0.691	27%	0.268	S	S	*	.	H	α-helix	trans	-71.2	-39	176.1	-65.6	179.2	178.5	176.4	0	111.1	D440 E445 Y446	D440-K442 PolarHBondContact O-N 3.4Å; D440-K442 WeakPolarHBondContact OD1-CB 3.35Å; D440-K442 PolarHBondContact OD1-N 3.2Å; D440-K442 VanDerWaalsContact OD1-N 3.11Å; K442-E445 PolarHBondContact O-N 2.97Å; K442-Y446 WeakPolarHBondContact O-CB 3.34Å; K442-Y446 PolarHBondContact O-N 2.77Å
443	F	92	Very high	89.3	Confident	31 Å²	31	62.8 Å²	62.8	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-46.1	173.4	179.1	-91.7	0	0	0	111.3	L426 E429 L432 V439 D440 E445 Y446 K447 F488	L426-F443 HydrophobicContact CD2-CE1 4.13Å; L426-F443 HydrophobicContact CD2-CZ 4.48Å; E429-F443 HydrophobicContact CG-CE2 4.4Å; E429-F443 HydrophobicContact CG-CZ 4.23Å; L432-F443 HydrophobicContact CD1-CE1 4.38Å; L432-F443 HydrophobicContact CD1-CE2 3.88Å; L432-F443 HydrophobicContact CD1-CZ 3.74Å; L432-F443 HydrophobicContact CD2-CD2 4.44Å; L432-F443 HydrophobicContact CD2-CE2 4.32Å; L432-F443 HydrophobicContact CG-CE2 4.42Å; V439-F443 HydrophobicContact CB-CB 4.11Å; V439-F443 HydrophobicContact CB-CD1 3.68Å; V439-F443 HydrophobicContact CB-CE1 4.36Å; V439-F443 HydrophobicContact CB-CG 4Å; V439-F443 HydrophobicContact CG1-CB 4.48Å; V439-F443 HydrophobicContact CG1-CD1 3.55Å; V439-F443 HydrophobicContact CG1-CD2 4.44Å; V439-F443 HydrophobicContact CG1-CE1 3.79Å; V439-F443 HydrophobicContact CG1-CG 3.9Å; V439-F443 HydrophobicContact CG1-CZ 4.33Å; V439-F443 HydrophobicContact CG2-CD1 4.26Å; D440-F443 WeakPolarHBondContact O-CB 3.42Å; D440-F443 PolarHBondContact O-N 3.28Å; D440-F443 PolarHBondContact OD1-N 3.46Å; F443-E445 PolarHBondContact O-N 2.64Å; F443-Y446 PolarHBondContact O-N 3.23Å; F443-K447 HydrophobicContact CD1-CG 4.27Å; F443-K447 HydrophobicContact CE1-CG 3.82Å; F443-K447 HydrophobicContact CE2-CG 4.39Å; F443-K447 HydrophobicContact CZ-CD 4.36Å; F443-K447 HydrophobicContact CZ-CG 3.88Å; F443-K447 WeakPolarHBondContact O-CG 3.41Å; F443-K447 PolarHBondContact O-N 3.25Å; F443-F488 HydrophobicContact CD1-CD2 4.33Å; F443-F488 HydrophobicContact CD1-CE2 4.3Å; F443-F488 HydrophobicContact CE1-CD1 4.23Å; F443-F488 HydrophobicContact CE1-CD2 4.1Å; F443-F488 AromaticContact CE1-CE1 3.88Å; F443-F488 HydrophobicContact CE1-CE1 3.88Å; F443-F488 AromaticContact CE1-CE2 3.74Å; F443-F488 HydrophobicContact CE1-CE2 3.74Å; F443-F488 HydrophobicContact CE1-CG 4.32Å; F443-F488 AromaticContact CE1-CZ 3.61Å; F443-F488 HydrophobicContact CE1-CZ 3.61Å; F443-F488 HydrophobicContact CZ-CZ 4.3Å
444	I	93.1	Very high	89.1	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-49.4	175.2	-61.3	-169.3	0	0	0	110.5	D440 N441 Y446 K447 I448 T484 F488 L491	D440-I444 PolarHBondContact O-N 3.15Å; N441-I444 PolarHBondContact O-N 3.17Å; I444-Y446 VanDerWaalsContact C-N 3.33Å; I444-Y446 PolarHBondContact O-N 3.5Å; I444-K447 PolarHBondContact O-N 3.27Å; I444-K447 VanDerWaalsContact O-N 3.13Å; I444-I448 HydrophobicContact CG2-CD1 3.63Å; I444-I448 HydrophobicContact CG2-CG1 4.2Å; I444-I448 VanDerWaalsContact O-CG1 3.29Å; I444-I448 WeakPolarHBondContact O-CG1 3.11Å; I444-I448 PolarHBondContact O-N 2.69Å; I444-T484 HydrophobicContact CD1-CG2 3.45Å; I444-T484 VanDerWaalsContact CD1-CG2 3.45Å; I444-T484 HydrophobicContact CG1-CG2 4.12Å; I444-F488 HydrophobicContact CD1-CB 3.91Å; I444-F488 HydrophobicContact CG1-CB 4.01Å; I444-F488 HydrophobicContact CG1-CD2 4Å; I444-F488 HydrophobicContact CG1-CG 4.4Å; I444-L491 HydrophobicContact CG2-CD1 4.18Å
445	E	92.5	Very high	89	Confident	70 Å²	70	58.2 Å²	58.2	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-43.8	179.6	-173.5	170.9	148.8	0	0	112	N441 K442 F443 K447 I448 M449 K469	N441-E445 WeakPolarHBondContact O-CB 3.44Å; N441-E445 PolarHBondContact O-N 3.03Å; K442-E445 PolarHBondContact O-N 2.97Å; F443-E445 PolarHBondContact O-N 2.64Å; E445-K447 PolarHBondContact O-N 3.06Å; E445-I448 PolarHBondContact O-N 2.86Å; E445-M449 HydrophobicContact CG-CE 4.49Å; E445-M449 VanDerWaalsContact O-CG 3.25Å; E445-M449 WeakPolarHBondContact O-CG 3.11Å; E445-M449 PolarHBondContact O-N 2.79Å; E445-K469 IonicContact OE2-NZ 2.9Å; E445-K469 PolarHBondContact OE2-NZ 3.32Å
446	Y	92.5	Very high	88.5	Confident	144 Å²	144	58.9 Å²	58.9	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-59.3	-44.4	174.5	170.7	-101	0	0	0	112.3	K442 F443 I444 M449 D450	K442-Y446 WeakPolarHBondContact O-CB 3.34Å; K442-Y446 PolarHBondContact O-N 2.77Å; F443-Y446 PolarHBondContact O-N 3.23Å; I444-Y446 VanDerWaalsContact C-N 3.33Å; I444-Y446 PolarHBondContact O-N 3.5Å; Y446-M449 WeakPolarHBondContact O-CB 3.21Å; Y446-M449 PolarHBondContact O-N 3.09Å; Y446-D450 WeakPolarHBondContact O-CB 3.14Å; Y446-D450 PolarHBondContact O-N 2.67Å
447	K	91.8	Very high	87.7	Confident	25 Å²	25	52.6 Å²	52.6	11%	0.109	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-34.3	178.6	-70.9	-60.6	-173.2	-176.3	0	113	E429 F443 I444 E445 D450 Y451 F488	E429-K447 WeakPolarHBondContact OE1-CE 3.28Å; E429-K447 IonicContact OE1-NZ 2.67Å; E429-K447 PolarHBondContact OE1-NZ 3.42Å; F443-K447 HydrophobicContact CD1-CG 4.27Å; F443-K447 HydrophobicContact CE1-CG 3.82Å; F443-K447 HydrophobicContact CE2-CG 4.39Å; F443-K447 HydrophobicContact CZ-CD 4.36Å; F443-K447 HydrophobicContact CZ-CG 3.88Å; F443-K447 WeakPolarHBondContact O-CG 3.41Å; F443-K447 PolarHBondContact O-N 3.25Å; I444-K447 PolarHBondContact O-N 3.27Å; I444-K447 VanDerWaalsContact O-N 3.13Å; E445-K447 PolarHBondContact O-N 3.06Å; K447-D450 PolarHBondContact O-N 3.01Å; K447-Y451 WeakPolarHBondContact O-CB 3.42Å; K447-Y451 PolarHBondContact O-N 2.83Å; K447-F488 HydrophobicContact CB-CE2 3.79Å; K447-F488 HydrophobicContact CB-CZ 4.47Å; K447-F488 HydrophobicContact CG-CE2 3.79Å; K447-F488 HydrophobicContact CG-CZ 4.1Å
448	I	93	Very high	86.7	Confident	2 Å²	2	57 Å²	57	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-44.5	172.3	-64.3	169.4	0	0	0	110.2	I444 E445 D450 Y451 V452 L465 I468 K469 L491	I444-I448 HydrophobicContact CG2-CD1 3.63Å; I444-I448 HydrophobicContact CG2-CG1 4.2Å; I444-I448 VanDerWaalsContact O-CG1 3.29Å; I444-I448 WeakPolarHBondContact O-CG1 3.11Å; I444-I448 PolarHBondContact O-N 2.69Å; E445-I448 PolarHBondContact O-N 2.86Å; I448-D450 PolarHBondContact O-N 2.8Å; I448-Y451 WeakPolarHBondContact O-CB 3.44Å; I448-Y451 PolarHBondContact O-N 3.07Å; I448-V452 HydrophobicContact CG2-CG2 4.22Å; I448-V452 WeakPolarHBondContact O-CB 3.35Å; I448-V452 VanDerWaalsContact O-CG2 3.28Å; I448-V452 WeakPolarHBondContact O-CG2 3.43Å; I448-V452 PolarHBondContact O-N 3.45Å; I448-L465 HydrophobicContact CG2-CB 4.48Å; I448-L465 HydrophobicContact CG2-CD1 3.85Å; I448-L465 HydrophobicContact CG2-CG 3.84Å; I448-I468 HydrophobicContact CB-CG2 4.48Å; I448-I468 HydrophobicContact CD1-CB 4.3Å; I448-I468 HydrophobicContact CD1-CG2 3.7Å; I448-I468 HydrophobicContact CG1-CB 4.48Å; I448-I468 HydrophobicContact CG1-CG2 3.7Å; I448-I468 HydrophobicContact CG2-CB 3.87Å; I448-I468 HydrophobicContact CG2-CD1 4.04Å; I448-I468 HydrophobicContact CG2-CG2 3.93Å; I448-K469 HydrophobicContact CD1-CB 4.16Å; I448-L491 HydrophobicContact CD1-CD1 3.92Å; I448-L491 HydrophobicContact CG1-CD1 3.73Å
449	M	90.4	Very high	85.9	Confident	75 Å²	75	57.2 Å²	57.2	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-49.6	174.8	-72.2	-75.4	169.9	0	0	110.9	E445 Y446 Y451 V452 L453 L465	E445-M449 HydrophobicContact CG-CE 4.49Å; E445-M449 VanDerWaalsContact O-CG 3.25Å; E445-M449 WeakPolarHBondContact O-CG 3.11Å; E445-M449 PolarHBondContact O-N 2.79Å; Y446-M449 WeakPolarHBondContact O-CB 3.21Å; Y446-M449 PolarHBondContact O-N 3.09Å; M449-Y451 PolarHBondContact O-N 3.18Å; M449-V452 PolarHBondContact O-N 3.45Å; M449-L453 WeakPolarHBondContact O-CB 3.44Å; M449-L453 VanDerWaalsContact O-CG 3.24Å; M449-L453 WeakPolarHBondContact O-CG 3.44Å; M449-L453 PolarHBondContact O-N 3.46Å; M449-L465 HydrophobicContact CB-CD1 4.3Å; M449-L465 HydrophobicContact CE-CD1 3.11Å; M449-L465 HydrophobicContact CE-CD2 3.48Å; M449-L465 VanDerWaalsContact CE-CD2 3.48Å; M449-L465 HydrophobicContact CE-CG 3.87Å; M449-L465 HydrophobicContact CG-CD1 3.58Å; M449-L465 HydrophobicContact SD-CD1 3.13Å; M449-L465 WeakPolarHBondContact SD-CD1 3.32Å; M449-L465 HydrophobicContact SD-CG 4.41Å
450	D	87.7	Confident	85.4	Confident	34 Å²	34	58.1 Å²	58.1	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-46	177.9	179.4	58.8	0	0	0	111.9	Y446 K447 I448 V452 L453 K454	Y446-D450 WeakPolarHBondContact O-CB 3.14Å; Y446-D450 PolarHBondContact O-N 2.67Å; K447-D450 PolarHBondContact O-N 3.01Å; I448-D450 PolarHBondContact O-N 2.8Å; D450-V452 PolarHBondContact O-N 2.85Å; D450-L453 PolarHBondContact O-N 3.23Å; D450-K454 VanDerWaalsContact CG-NZ 3.3Å; D450-K454 WeakPolarHBondContact O-CB 3.43Å; D450-K454 WeakPolarHBondContact O-CG 3.41Å; D450-K454 PolarHBondContact O-N 2.95Å; D450-K454 WeakPolarHBondContact OD1-CE 3.19Å; D450-K454 IonicContact OD1-NZ 3.4Å; D450-K454 PolarHBondContact OD1-NZ 3.03Å; D450-K454 VanDerWaalsContact OD1-NZ 3.12Å; D450-K454 WeakPolarHBondContact OD2-CE 3.47Å; D450-K454 IonicContact OD2-NZ 2.72Å; D450-K454 PolarHBondContact OD2-NZ 3.22Å
451	Y	88.1	Confident	85.1	Confident	5 Å²	5	60.1 Å²	60.1	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-50.9	175	-178.8	-80.3	0	0	0	112	Y331 K447 I448 M449 L453 K454 R455 F457 I468 A495 Y496 W633	Y331-Y451 HydrophobicContact CD1-CE2 4.23Å; Y331-Y451 HydrophobicContact CE1-CD2 4.05Å; Y331-Y451 AromaticContact CE1-CE2 3.25Å; Y331-Y451 HydrophobicContact CE1-CE2 3.25Å; Y331-Y451 AromaticContact CE1-CZ 3.78Å; Y331-Y451 HydrophobicContact CE2-CE2 4.38Å; Y331-Y451 AromaticContact CZ-CD2 3.68Å; Y331-Y451 AromaticContact CZ-CE2 3.33Å; Y331-Y451 AromaticContact CZ-CZ 3.93Å; Y331-Y451 WeakPolarHBondContact OH-CD2 3.45Å; Y331-Y451 WeakPolarHBondContact OH-CE2 3.49Å; K447-Y451 WeakPolarHBondContact O-CB 3.42Å; K447-Y451 PolarHBondContact O-N 2.83Å; I448-Y451 WeakPolarHBondContact O-CB 3.44Å; I448-Y451 PolarHBondContact O-N 3.07Å; M449-Y451 PolarHBondContact O-N 3.18Å; Y451-L453 VanDerWaalsContact C-N 3.35Å; Y451-L453 PolarHBondContact O-N 3.15Å; Y451-K454 PolarHBondContact O-N 2.69Å; Y451-R455 HydrophobicContact CE1-CB 4.38Å; Y451-R455 WeakPolarHBondContact O-CB 3.26Å; Y451-R455 PolarHBondContact O-N 3.33Å; Y451-R455 PolarHBondContact OH-NH1 2.83Å; Y451-F457 HydrophobicContact CE1-CE2 4.26Å; Y451-I468 HydrophobicContact CD1-CD1 4.38Å; Y451-A495 HydrophobicContact CD2-CB 4.47Å; Y451-A495 HydrophobicContact CE2-CB 3.88Å; Y451-Y496 HydrophobicContact CD2-CE1 4.36Å; Y451-Y496 HydrophobicContact CE2-CE1 4.48Å; Y451-W633 HydrophobicContact CD1-CZ3 4.17Å; Y451-W633 HydrophobicContact CE1-CE3 4.26Å; Y451-W633 HydrophobicContact CE1-CH2 4.48Å; Y451-W633 AromaticContact CE1-CZ3 3.53Å; Y451-W633 HydrophobicContact CE1-CZ3 3.53Å; Y451-W633 HydrophobicContact CE2-CZ3 4Å; Y451-W633 AromaticContact CZ-CE3 3.93Å; Y451-W633 AromaticContact CZ-CZ3 3.44Å; Y451-W633 VanDerWaalsContact CZ-CZ3 3.44Å
452	V	88.5	Confident	84.9	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-38.5	-175.5	161.7	0	0	0	0	111.5	I448 M449 D450 N456 F457 R461 A464 I468	I448-V452 HydrophobicContact CG2-CG2 4.22Å; I448-V452 WeakPolarHBondContact O-CB 3.35Å; I448-V452 VanDerWaalsContact O-CG2 3.28Å; I448-V452 WeakPolarHBondContact O-CG2 3.43Å; I448-V452 PolarHBondContact O-N 3.45Å; M449-V452 PolarHBondContact O-N 3.45Å; D450-V452 PolarHBondContact O-N 2.85Å; V452-N456 PolarHBondContact O-N 2.95Å; V452-F457 HydrophobicContact CB-CD2 4.23Å; V452-F457 HydrophobicContact CG1-CB 4.45Å; V452-F457 HydrophobicContact CG1-CD2 4.01Å; V452-F457 HydrophobicContact CG2-CD2 4.18Å; V452-F457 HydrophobicContact CG2-CE2 4.38Å; V452-F457 PolarHBondContact O-N 2.97Å; V452-R461 HydrophobicContact CG1-CB 4.36Å; V452-R461 HydrophobicContact CG1-CG 3.17Å; V452-A464 HydrophobicContact CG2-CB 4.46Å; V452-I468 HydrophobicContact CG2-CD1 3.96Å
453	L	84.4	Confident	84.7	Confident	100 Å²	100	57.3 Å²	57.3	52%	0.524	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-45	174.6	-70.9	172.4	0	0	0	111.7	M449 D450 Y451 R455 N456	M449-L453 WeakPolarHBondContact O-CB 3.44Å; M449-L453 VanDerWaalsContact O-CG 3.24Å; M449-L453 WeakPolarHBondContact O-CG 3.44Å; M449-L453 PolarHBondContact O-N 3.46Å; D450-L453 PolarHBondContact O-N 3.23Å; Y451-L453 VanDerWaalsContact C-N 3.35Å; Y451-L453 PolarHBondContact O-N 3.15Å; L453-R455 PolarHBondContact O-N 2.9Å; L453-N456 PolarHBondContact O-N 3.4Å; L453-N456 VanDerWaalsContact O-N 3.09Å
454	K	81.2	Confident	84.6	Confident	84 Å²	84	55.9 Å²	55.9	37%	0.365	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-38	178.7	-76.5	172.1	175.1	164.3	0	112.8	D450 Y451 N456	D450-K454 VanDerWaalsContact CG-NZ 3.3Å; D450-K454 WeakPolarHBondContact O-CB 3.43Å; D450-K454 WeakPolarHBondContact O-CG 3.41Å; D450-K454 PolarHBondContact O-N 2.95Å; D450-K454 WeakPolarHBondContact OD1-CE 3.19Å; D450-K454 IonicContact OD1-NZ 3.4Å; D450-K454 PolarHBondContact OD1-NZ 3.03Å; D450-K454 VanDerWaalsContact OD1-NZ 3.12Å; D450-K454 WeakPolarHBondContact OD2-CE 3.47Å; D450-K454 IonicContact OD2-NZ 2.72Å; D450-K454 PolarHBondContact OD2-NZ 3.22Å; Y451-K454 PolarHBondContact O-N 2.69Å; K454-N456 PolarHBondContact O-N 3.32Å
455	R	78.6	Confident	84.5	Confident	61 Å²	61	56 Å²	56	23%	0.23	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.5	175.3	-166.7	154.3	173.4	160.1	-6.4	113	Y451 L453 F457 N638	Y451-R455 HydrophobicContact CE1-CB 4.38Å; Y451-R455 WeakPolarHBondContact O-CB 3.26Å; Y451-R455 PolarHBondContact O-N 3.33Å; Y451-R455 PolarHBondContact OH-NH1 2.83Å; L453-R455 PolarHBondContact O-N 2.9Å; R455-F457 HydrophobicContact CB-CD2 4.12Å; R455-F457 HydrophobicContact CB-CE2 3.88Å; R455-F457 HydrophobicContact CB-CZ 4.4Å; R455-F457 HydrophobicContact CG-CD2 4.35Å; R455-F457 HydrophobicContact CG-CE1 4.32Å; R455-F457 HydrophobicContact CG-CE2 3.84Å; R455-F457 HydrophobicContact CG-CZ 3.84Å; R455-F457 PolarHBondContact O-N 2.88Å; R455-N638 PolarHBondContact NH2-OD1 3.45Å
456	N	73.7	Confident	84.6	Confident	117 Å²	117	57.8 Å²	57.8	63%	0.626	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	47.3	175.9	-166.1	33.8	0	0	0	113.1	V452 L453 K454 T458	V452-N456 PolarHBondContact O-N 2.95Å; L453-N456 PolarHBondContact O-N 3.4Å; L453-N456 VanDerWaalsContact O-N 3.09Å; K454-N456 PolarHBondContact O-N 3.32Å; N456-T458 PolarHBondContact O-N 3.22Å; N456-T458 WeakPolarHBondContact OD1-CG2 3.44Å
457	F	68	Low	84.6	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.053	26%	0.262	C	S	.	.			trans	-66.2	97.8	169.4	-68.1	-64.2	0	0	0	109.3	Y451 V452 R455 R461 A464 L637 S641	Y451-F457 HydrophobicContact CE1-CE2 4.26Å; V452-F457 HydrophobicContact CB-CD2 4.23Å; V452-F457 HydrophobicContact CG1-CB 4.45Å; V452-F457 HydrophobicContact CG1-CD2 4.01Å; V452-F457 HydrophobicContact CG2-CD2 4.18Å; V452-F457 HydrophobicContact CG2-CE2 4.38Å; V452-F457 PolarHBondContact O-N 2.97Å; R455-F457 HydrophobicContact CB-CD2 4.12Å; R455-F457 HydrophobicContact CB-CE2 3.88Å; R455-F457 HydrophobicContact CB-CZ 4.4Å; R455-F457 HydrophobicContact CG-CD2 4.35Å; R455-F457 HydrophobicContact CG-CE1 4.32Å; R455-F457 HydrophobicContact CG-CE2 3.84Å; R455-F457 HydrophobicContact CG-CZ 3.84Å; R455-F457 PolarHBondContact O-N 2.88Å; F457-R461 WeakPolarHBondContact O-CB 3.4Å; F457-A464 HydrophobicContact CD2-CB 4.17Å; F457-A464 HydrophobicContact CE2-CB 4.37Å; F457-A464 HydrophobicContact CG-CB 4.4Å; F457-L637 HydrophobicContact CZ-CB 4.22Å; F457-S641 VanDerWaalsContact CD1-CB 3.48Å
458	T	68.9	Low	84.8	Confident	110 Å²	110	50.5 Å²	50.5	68%	0.675	26%	0.257	S	S	*	.			trans	-83.8	-34.4	-169.7	48.7	0	0	0	0	114.4	N456	N456-T458 PolarHBondContact O-N 3.22Å; N456-T458 WeakPolarHBondContact OD1-CG2 3.44Å
459	T	72.8	Confident	84.9	Confident	61 Å²	61	53.2 Å²	53.2	37%	0.374	27%	0.268	S	S	.	.	S	Bend	trans	-98.9	-29.2	-166.3	32.8	0	0	0	0	114.1	S641	T459-S641 WeakPolarHBondContact CB-O 3.42Å; T459-S641 PolarHBondContact OG1-O 2.89Å
460	N	81.3	Confident	85.2	Confident	21 Å²	21	57.3 Å²	57.3	11%	0.112	28%	0.281	C	S	.	.	S	Bend	trans	-147.6	51.4	-175.2	-158.8	3.4	0	0	0	112.5	E462 A463 A464 L640	N460-E462 PolarHBondContact O-N 3.35Å; N460-A463 VanDerWaalsContact CG-CB 3.5Å; N460-A463 PolarHBondContact O-N 3.36Å; N460-A463 WeakPolarHBondContact OD1-CB 3.44Å; N460-A464 PolarHBondContact O-N 3.23Å; N460-L640 VanDerWaalsContact CB-O 3.29Å; N460-L640 WeakPolarHBondContact CB-O 3.47Å; N460-L640 PolarHBondContact ND2-O 2.84Å
461	R	85.2	Confident	85.5	Confident	106 Å²	106	58.1 Å²	58.1	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-45.4	-174	-170.3	-179.4	48.5	-160.9	-12.3	112.5	V452 F457 A463 A464 L465	V452-R461 HydrophobicContact CG1-CB 4.36Å; V452-R461 HydrophobicContact CG1-CG 3.17Å; F457-R461 WeakPolarHBondContact O-CB 3.4Å; R461-A463 PolarHBondContact O-N 2.96Å; R461-A464 PolarHBondContact O-N 2.99Å; R461-L465 PolarHBondContact O-N 3Å
462	E	86.6	Confident	85.9	Confident	111 Å²	111	57.9 Å²	57.9	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-66.7	-37.9	-175.8	-66.1	69.7	-151.6	0	0	111.1	N460 L465 E466	N460-E462 PolarHBondContact O-N 3.35Å; E462-L465 WeakPolarHBondContact O-CB 3.48Å; E462-L465 PolarHBondContact O-N 3.18Å; E462-E466 WeakPolarHBondContact O-CG 3.21Å; E462-E466 PolarHBondContact O-N 3.49Å
463	A	88.7	Confident	86.3	Confident	31 Å²	31	58.3 Å²	58.3	26%	0.256	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-39.9	175.6	0	0	0	0	0	112.2	N460 R461 L465 E466 A467 L640	N460-A463 VanDerWaalsContact CG-CB 3.5Å; N460-A463 PolarHBondContact O-N 3.36Å; N460-A463 WeakPolarHBondContact OD1-CB 3.44Å; R461-A463 PolarHBondContact O-N 2.96Å; A463-L465 VanDerWaalsContact C-N 3.26Å; A463-L465 PolarHBondContact O-N 3.36Å; A463-E466 PolarHBondContact O-N 3.27Å; A463-A467 VanDerWaalsContact O-CB 3.25Å; A463-A467 WeakPolarHBondContact O-CB 3.26Å; A463-A467 PolarHBondContact O-N 2.8Å; A463-L640 VanDerWaalsContact C-CD2 3.47Å; A463-L640 HydrophobicContact CB-CD1 4.07Å; A463-L640 HydrophobicContact CB-CD2 3.83Å; A463-L640 HydrophobicContact CB-CG 4.03Å
464	A	90	Very high	86.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-42.3	175.5	0	0	0	0	0	110.8	V452 F457 N460 R461 A467 I468 L637 L640	V452-A464 HydrophobicContact CG2-CB 4.46Å; F457-A464 HydrophobicContact CD2-CB 4.17Å; F457-A464 HydrophobicContact CE2-CB 4.37Å; F457-A464 HydrophobicContact CG-CB 4.4Å; N460-A464 PolarHBondContact O-N 3.23Å; R461-A464 PolarHBondContact O-N 2.99Å; A464-A467 PolarHBondContact O-N 2.98Å; A464-I468 WeakPolarHBondContact O-CD1 3.48Å; A464-I468 VanDerWaalsContact O-CG1 3.24Å; A464-I468 WeakPolarHBondContact O-CG1 3.05Å; A464-I468 PolarHBondContact O-N 3.23Å; A464-L637 HydrophobicContact CB-CD2 4.31Å; A464-L640 HydrophobicContact CB-CD2 4.22Å
465	L	91.4	Very high	87.5	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-53.4	175.6	-171.2	120.6	0	0	0	113.1	I448 M449 R461 E462 A463 A467 I468 K469	I448-L465 HydrophobicContact CG2-CB 4.48Å; I448-L465 HydrophobicContact CG2-CD1 3.85Å; I448-L465 HydrophobicContact CG2-CG 3.84Å; M449-L465 HydrophobicContact CB-CD1 4.3Å; M449-L465 HydrophobicContact CE-CD1 3.11Å; M449-L465 HydrophobicContact CE-CD2 3.48Å; M449-L465 VanDerWaalsContact CE-CD2 3.48Å; M449-L465 HydrophobicContact CE-CG 3.87Å; M449-L465 HydrophobicContact CG-CD1 3.58Å; M449-L465 HydrophobicContact SD-CD1 3.13Å; M449-L465 WeakPolarHBondContact SD-CD1 3.32Å; M449-L465 HydrophobicContact SD-CG 4.41Å; R461-L465 PolarHBondContact O-N 3Å; E462-L465 WeakPolarHBondContact O-CB 3.48Å; E462-L465 PolarHBondContact O-N 3.18Å; A463-L465 VanDerWaalsContact C-N 3.26Å; A463-L465 PolarHBondContact O-N 3.36Å; L465-A467 VanDerWaalsContact C-N 3.26Å; L465-A467 PolarHBondContact O-N 2.9Å; L465-I468 PolarHBondContact O-N 3.48Å; L465-K469 VanDerWaalsContact O-CB 3.31Å; L465-K469 WeakPolarHBondContact O-CB 3.42Å; L465-K469 PolarHBondContact O-N 2.94Å
466	E	92.9	Very high	88.3	Confident	107 Å²	107	60.9 Å²	60.9	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-34.2	-178.7	-70.8	-58.4	145.3	0	0	111.7	E462 A463 Y470	E462-E466 WeakPolarHBondContact O-CG 3.21Å; E462-E466 PolarHBondContact O-N 3.49Å; A463-E466 PolarHBondContact O-N 3.27Å; E466-Y470 VanDerWaalsContact O-CB 3.23Å; E466-Y470 WeakPolarHBondContact O-CB 3.2Å; E466-Y470 PolarHBondContact O-N 2.9Å
467	A	94.3	Very high	89.4	Confident	16 Å²	16	59 Å²	59	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-46.6	175	0	0	0	0	0	112.4	A463 A464 L465 Y470 L471 F632 Y636 L637 L640	A463-A467 VanDerWaalsContact O-CB 3.25Å; A463-A467 WeakPolarHBondContact O-CB 3.26Å; A463-A467 PolarHBondContact O-N 2.8Å; A464-A467 PolarHBondContact O-N 2.98Å; L465-A467 VanDerWaalsContact C-N 3.26Å; L465-A467 PolarHBondContact O-N 2.9Å; A467-Y470 PolarHBondContact O-N 3.35Å; A467-L471 PolarHBondContact O-N 3.11Å; A467-F632 HydrophobicContact CB-CE2 4.14Å; A467-F632 HydrophobicContact CB-CZ 4.25Å; A467-Y636 HydrophobicContact CB-CE1 3.98Å; A467-L637 HydrophobicContact CB-CD2 4.47Å; A467-L640 HydrophobicContact CB-CD2 4.26Å
468	I	95.6	Very high	90.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-45.1	177.4	-62.2	163.1	0	0	0	109.7	I448 Y451 V452 A464 L465 Y470 L471 Y472 L491 F632 W633 L637	I448-I468 HydrophobicContact CB-CG2 4.48Å; I448-I468 HydrophobicContact CD1-CB 4.3Å; I448-I468 HydrophobicContact CD1-CG2 3.7Å; I448-I468 HydrophobicContact CG1-CB 4.48Å; I448-I468 HydrophobicContact CG1-CG2 3.7Å; I448-I468 HydrophobicContact CG2-CB 3.87Å; I448-I468 HydrophobicContact CG2-CD1 4.04Å; I448-I468 HydrophobicContact CG2-CG2 3.93Å; Y451-I468 HydrophobicContact CD1-CD1 4.38Å; V452-I468 HydrophobicContact CG2-CD1 3.96Å; A464-I468 WeakPolarHBondContact O-CD1 3.48Å; A464-I468 VanDerWaalsContact O-CG1 3.24Å; A464-I468 WeakPolarHBondContact O-CG1 3.05Å; A464-I468 PolarHBondContact O-N 3.23Å; L465-I468 PolarHBondContact O-N 3.48Å; I468-Y470 VanDerWaalsContact C-N 3.3Å; I468-Y470 PolarHBondContact O-N 3.13Å; I468-L471 PolarHBondContact O-N 3.38Å; I468-Y472 HydrophobicContact CG2-CD2 3.94Å; I468-Y472 HydrophobicContact CG2-CE2 4.38Å; I468-Y472 WeakPolarHBondContact O-CD2 3.25Å; I468-Y472 PolarHBondContact O-N 3.48Å; I468-Y472 VanDerWaalsContact O-N 3.14Å; I468-L491 HydrophobicContact CG2-CD1 3.87Å; I468-L491 HydrophobicContact CG2-CG 4.44Å; I468-F632 HydrophobicContact CB-CZ 4.47Å; I468-F632 HydrophobicContact CG1-CE1 3.98Å; I468-F632 HydrophobicContact CG1-CZ 3.87Å; I468-W633 HydrophobicContact CD1-CH2 3.93Å; I468-W633 HydrophobicContact CD1-CZ3 3.91Å; I468-W633 HydrophobicContact CG1-CH2 3.98Å; I468-W633 HydrophobicContact CG1-CZ3 4.23Å; I468-W633 HydrophobicContact CG2-CH2 3.86Å; I468-W633 HydrophobicContact CG2-CZ2 4.25Å; I468-L637 HydrophobicContact CD1-CD1 4.04Å; I468-L637 HydrophobicContact CD1-CD2 4.42Å; I468-L637 HydrophobicContact CG1-CD1 4.06Å; I468-L637 HydrophobicContact CG1-CD2 4.09Å
469	K	95.1	Very high	91.8	Very high	58 Å²	58	66.7 Å²	66.7	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-57.8	-44.9	177.6	-177.4	173.3	177.3	170.7	0	110.9	E445 I448 L465 L471 Y472 T473	E445-K469 IonicContact OE2-NZ 2.9Å; E445-K469 PolarHBondContact OE2-NZ 3.32Å; I448-K469 HydrophobicContact CD1-CB 4.16Å; L465-K469 VanDerWaalsContact O-CB 3.31Å; L465-K469 WeakPolarHBondContact O-CB 3.42Å; L465-K469 PolarHBondContact O-N 2.94Å; K469-L471 VanDerWaalsContact C-N 3.34Å; K469-L471 PolarHBondContact O-N 3.33Å; K469-Y472 PolarHBondContact O-N 2.98Å; K469-T473 VanDerWaalsContact O-CB 3.29Å; K469-T473 WeakPolarHBondContact O-CB 3.47Å; K469-T473 PolarHBondContact O-N 3.5Å; K469-T473 PolarHBondContact O-OG1 2.91Å
470	Y	95.2	Very high	92.9	Very high	161 Å²	161	66.6 Å²	66.6	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-59.5	-44.1	178.5	174.9	-96.7	0	0	0	112.7	E466 A467 I468 W475	E466-Y470 VanDerWaalsContact O-CB 3.23Å; E466-Y470 WeakPolarHBondContact O-CB 3.2Å; E466-Y470 PolarHBondContact O-N 2.9Å; A467-Y470 PolarHBondContact O-N 3.35Å; I468-Y470 VanDerWaalsContact C-N 3.3Å; I468-Y470 PolarHBondContact O-N 3.13Å; Y470-W475 AromaticContact CD2-CZ2 3.79Å; Y470-W475 HydrophobicContact CD2-CZ2 3.79Å; Y470-W475 HydrophobicContact CE2-CZ2 4.43Å; Y470-W475 PolarHBondContact O-NE1 2.98Å
471	L	95.9	Very high	93.5	Very high	51 Å²	51	68.7 Å²	68.7	27%	0.267	33%	0.325	S	S	.	.	H	α-helix	trans	-69.6	-37.2	-175.8	-172.7	58.1	0	0	0	113	A467 I468 K469 F632	A467-L471 PolarHBondContact O-N 3.11Å; I468-L471 PolarHBondContact O-N 3.38Å; K469-L471 VanDerWaalsContact C-N 3.34Å; K469-L471 PolarHBondContact O-N 3.33Å; L471-F632 HydrophobicContact CD2-CB 4.3Å; L471-F632 HydrophobicContact CD2-CD1 3.53Å; L471-F632 HydrophobicContact CD2-CD2 3.88Å; L471-F632 HydrophobicContact CD2-CE1 3.7Å; L471-F632 HydrophobicContact CD2-CE2 4.03Å; L471-F632 HydrophobicContact CD2-CG 3.63Å; L471-F632 HydrophobicContact CD2-CZ 3.95Å
472	Y	96.5	Very high	93.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-109.1	10.2	-173	-63.4	-76.1	0	0	0	114.6	I468 K469 R487 H490 L491 D494 H629 W633	I468-Y472 HydrophobicContact CG2-CD2 3.94Å; I468-Y472 HydrophobicContact CG2-CE2 4.38Å; I468-Y472 WeakPolarHBondContact O-CD2 3.25Å; I468-Y472 PolarHBondContact O-N 3.48Å; I468-Y472 VanDerWaalsContact O-N 3.14Å; K469-Y472 PolarHBondContact O-N 2.98Å; Y472-R487 WeakPolarHBondContact O-CB 3.44Å; Y472-H490 HydrophobicContact CD1-CB 4.39Å; Y472-H490 HydrophobicContact CE1-CB 4.35Å; Y472-H490 AromaticContact CE1-CG 3.95Å; Y472-H490 AromaticContact CE1-ND1 3.87Å; Y472-L491 HydrophobicContact CD1-CB 3.6Å; Y472-L491 HydrophobicContact CD1-CG 4.41Å; Y472-L491 HydrophobicContact CD2-CB 3.91Å; Y472-L491 HydrophobicContact CD2-CD1 3.84Å; Y472-L491 HydrophobicContact CD2-CG 3.8Å; Y472-L491 VanDerWaalsContact CE1-CA 3.4Å; Y472-L491 HydrophobicContact CE1-CB 4.01Å; Y472-L491 HydrophobicContact CE2-CB 4.29Å; Y472-L491 HydrophobicContact CE2-CG 4.17Å; Y472-L491 HydrophobicContact CG-CB 3.55Å; Y472-L491 HydrophobicContact CG-CD1 3.93Å; Y472-L491 HydrophobicContact CG-CG 3.94Å; Y472-D494 WeakPolarHBondContact CE1-OD2 3.41Å; Y472-D494 WeakPolarHBondContact OH-CB 3.26Å; Y472-D494 PolarHBondContact OH-OD2 3.22Å; Y472-H629 AromaticContact CZ-CD2 4Å; Y472-H629 PolarHBondContact OH-CD2 3.49Å; Y472-W633 HydrophobicContact CD2-CZ2 4.44Å; Y472-W633 AromaticContact CE2-CZ2 3.55Å; Y472-W633 HydrophobicContact CE2-CZ2 3.55Å; Y472-W633 AromaticContact CE2-NE1 3.95Å; Y472-W633 AromaticContact CZ-NE1 3.78Å; Y472-W633 PolarHBondContact OH-NE1 3.2Å
473	T	95.6	Very high	94.3	Very high	10 Å²	10	64.8 Å²	64.8	6%	0.061	31%	0.314	C	S	.	.	S	Bend	trans	-80.6	133.3	170	-65	0	0	0	0	109.9	K469 W475 V478	K469-T473 VanDerWaalsContact O-CB 3.29Å; K469-T473 WeakPolarHBondContact O-CB 3.47Å; K469-T473 PolarHBondContact O-N 3.5Å; K469-T473 PolarHBondContact O-OG1 2.91Å; T473-W475 VanDerWaalsContact C-N 3.34Å; T473-W475 HydrophobicContact CG2-CD2 4Å; T473-W475 HydrophobicContact CG2-CE3 4.21Å; T473-W475 HydrophobicContact CG2-CG 4.46Å; T473-W475 HydrophobicContact CG2-CH2 4.46Å; T473-W475 HydrophobicContact CG2-CZ2 4.25Å; T473-W475 HydrophobicContact CG2-CZ3 4.43Å; T473-W475 PolarHBondContact O-N 3.45Å; T473-V478 HydrophobicContact CG2-CG1 4.08Å
474	F	95.5	Very high	94.7	Very high	42 Å²	42	63.3 Å²	63.3	18%	0.184	30%	0.301	C	S	.	.			trans	-76.1	87.3	169	-172.5	-117.1	0	0	0	110.3	P476 D477 V478 D480 A483 R487	F474-P476 VanDerWaalsContact C-CD 3.44Å; F474-P476 HydrophobicContact CD2-CG 4.21Å; F474-P476 HydrophobicContact CE1-CB 4Å; F474-P476 HydrophobicContact CE1-CG 4.39Å; F474-P476 HydrophobicContact CE2-CB 4.15Å; F474-P476 HydrophobicContact CE2-CG 3.69Å; F474-P476 HydrophobicContact CZ-CB 3.72Å; F474-P476 HydrophobicContact CZ-CG 3.8Å; F474-D477 HydrophobicContact CD1-CB 4.43Å; F474-D477 VanDerWaalsContact CD1-O 3.28Å; F474-D477 WeakPolarHBondContact CD1-O 3.43Å; F474-D477 HydrophobicContact CE1-CB 4.11Å; F474-D477 CarbonylContact O-C 3.45Å; F474-V478 PolarHBondContact O-N 3.25Å; F474-D480 HydrophobicContact CD1-CB 4.24Å; F474-D480 HydrophobicContact CE1-CB 4.22Å; F474-A483 HydrophobicContact CB-CB 4.36Å; F474-A483 HydrophobicContact CD1-CB 3.35Å; F474-A483 HydrophobicContact CD2-CB 4.06Å; F474-A483 HydrophobicContact CE1-CB 3.48Å; F474-A483 VanDerWaalsContact CE1-CB 3.48Å; F474-A483 HydrophobicContact CE2-CB 4.17Å; F474-A483 HydrophobicContact CG-CB 3.67Å; F474-A483 HydrophobicContact CZ-CB 3.9Å; F474-R487 HydrophobicContact CB-CG 3.92Å
475	W	95.4	Very high	95	Very high	150 Å²	150	64.4 Å²	64.4	57%	0.568	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.3	-177.6	-66.4	106.1	0	0	0	116.8	Y470 T473 D477	Y470-W475 AromaticContact CD2-CZ2 3.79Å; Y470-W475 HydrophobicContact CD2-CZ2 3.79Å; Y470-W475 HydrophobicContact CE2-CZ2 4.43Å; Y470-W475 PolarHBondContact O-NE1 2.98Å; T473-W475 VanDerWaalsContact C-N 3.34Å; T473-W475 HydrophobicContact CG2-CD2 4Å; T473-W475 HydrophobicContact CG2-CE3 4.21Å; T473-W475 HydrophobicContact CG2-CG 4.46Å; T473-W475 HydrophobicContact CG2-CH2 4.46Å; T473-W475 HydrophobicContact CG2-CZ2 4.25Å; T473-W475 HydrophobicContact CG2-CZ3 4.43Å; T473-W475 PolarHBondContact O-N 3.45Å; W475-D477 VanDerWaalsContact C-N 3.28Å; W475-D477 PolarHBondContact O-N 3.42Å
476	P	96.4	Very high	95.2	Very high	108 Å²	108	67.9 Å²	67.9	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-37.9	179.5	-27.1	36.1	0	0	0	113.6	F474	F474-P476 VanDerWaalsContact C-CD 3.44Å; F474-P476 HydrophobicContact CD2-CG 4.21Å; F474-P476 HydrophobicContact CE1-CB 4Å; F474-P476 HydrophobicContact CE1-CG 4.39Å; F474-P476 HydrophobicContact CE2-CB 4.15Å; F474-P476 HydrophobicContact CE2-CG 3.69Å; F474-P476 HydrophobicContact CZ-CB 3.72Å; F474-P476 HydrophobicContact CZ-CG 3.8Å
477	D	95.8	Very high	95.4	Very high	77 Å²	77	67.3 Å²	67.3	41%	0.412	32%	0.318	S	S	.	.			trans	-150.9	98.2	172	-173.1	-3.4	0	0	0	111.6	F474 W475 R479 D480	F474-D477 HydrophobicContact CD1-CB 4.43Å; F474-D477 VanDerWaalsContact CD1-O 3.28Å; F474-D477 WeakPolarHBondContact CD1-O 3.43Å; F474-D477 HydrophobicContact CE1-CB 4.11Å; F474-D477 CarbonylContact O-C 3.45Å; W475-D477 VanDerWaalsContact C-N 3.28Å; W475-D477 PolarHBondContact O-N 3.42Å; D477-R479 PolarHBondContact O-N 3.45Å; D477-R479 WeakPolarHBondContact OD1-CB 3.43Å; D477-R479 PolarHBondContact OD1-N 3.29Å; D477-D480 HydrophobicContact CB-CB 4.03Å; D477-D480 WeakPolarHBondContact O-CB 3.33Å; D477-D480 PolarHBondContact O-N 2.88Å
478	V	93.3	Very high	95.5	Very high	70 Å²	70	66.7 Å²	66.7	42%	0.424	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.6	178.9	-60.2	0	0	0	0	114.3	N441 T473 F474	N441-V478 PolarHBondContact ND2-O 2.94Å; T473-V478 HydrophobicContact CG2-CG1 4.08Å; F474-V478 PolarHBondContact O-N 3.25Å
479	R	93.9	Very high	95.6	Very high	213 Å²	213	66.7 Å²	66.7	80%	0.804	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-8	175.3	-58.6	-179	-178.8	-178.8	0.7	112.8	D477 N481	D477-R479 PolarHBondContact O-N 3.45Å; D477-R479 WeakPolarHBondContact OD1-CB 3.43Å; D477-R479 PolarHBondContact OD1-N 3.29Å; R479-N481 PolarHBondContact O-N 3.01Å; R479-N481 VanDerWaalsContact O-N 3.07Å
480	D	95.6	Very high	95.7	Very high	60 Å²	60	66.2 Å²	66.2	32%	0.321	31%	0.311	S	S	.	.			trans	-75.2	95.3	174.2	-174.7	-17.1	0	0	0	109.4	F474 D477 E482 A483 T484	F474-D480 HydrophobicContact CD1-CB 4.24Å; F474-D480 HydrophobicContact CE1-CB 4.22Å; D477-D480 HydrophobicContact CB-CB 4.03Å; D477-D480 WeakPolarHBondContact O-CB 3.33Å; D477-D480 PolarHBondContact O-N 2.88Å; D480-E482 VanDerWaalsContact C-N 3.28Å; D480-E482 PolarHBondContact O-N 3.43Å; D480-E482 PolarHBondContact OD1-N 2.85Å; D480-A483 HydrophobicContact CB-CB 4.03Å; D480-A483 VanDerWaalsContact CG-CB 3.49Å; D480-A483 PolarHBondContact O-N 2.65Å; D480-A483 PolarHBondContact OD1-N 2.61Å; D480-T484 VanDerWaalsContact O-CB 3.29Å; D480-T484 WeakPolarHBondContact O-CB 3.49Å; D480-T484 PolarHBondContact O-N 3.44Å; D480-T484 PolarHBondContact O-OG1 2.87Å
481	N	94.8	Very high	95.8	Very high	65 Å²	65	58.9 Å²	58.9	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-71.4	-21.4	-178	-66.8	-19.4	0	0	0	113.1	I438 R479 R485	I438-N481 HydrophobicContact CG2-CB 3.37Å; R479-N481 PolarHBondContact O-N 3.01Å; R479-N481 VanDerWaalsContact O-N 3.07Å; N481-R485 WeakPolarHBondContact O-CB 3.41Å; N481-R485 PolarHBondContact O-N 2.97Å
482	E	93.9	Very high	95.8	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	27%	0.269	S	S	*	.	H	α-helix	trans	-73.2	-47.4	174.4	-67.9	-170	-179.9	0	0	110.2	D480 T484 R485 D486	D480-E482 VanDerWaalsContact C-N 3.28Å; D480-E482 PolarHBondContact O-N 3.43Å; D480-E482 PolarHBondContact OD1-N 2.85Å; E482-T484 VanDerWaalsContact C-N 3.27Å; E482-T484 PolarHBondContact O-N 2.9Å; E482-R485 WeakPolarHBondContact O-CB 3.35Å; E482-R485 PolarHBondContact O-N 3.18Å; E482-D486 PolarHBondContact O-N 3.38Å; E482-D486 VanDerWaalsContact O-N 3.11Å
483	A	95.8	Very high	95.8	Very high	16 Å²	16	56.6 Å²	56.6	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-34.1	173.4	0	0	0	0	0	111.9	F474 D480 D486 R487	F474-A483 HydrophobicContact CB-CB 4.36Å; F474-A483 HydrophobicContact CD1-CB 3.35Å; F474-A483 HydrophobicContact CD2-CB 4.06Å; F474-A483 HydrophobicContact CE1-CB 3.48Å; F474-A483 VanDerWaalsContact CE1-CB 3.48Å; F474-A483 HydrophobicContact CE2-CB 4.17Å; F474-A483 HydrophobicContact CG-CB 3.67Å; F474-A483 HydrophobicContact CZ-CB 3.9Å; D480-A483 HydrophobicContact CB-CB 4.03Å; D480-A483 VanDerWaalsContact CG-CB 3.49Å; D480-A483 PolarHBondContact O-N 2.65Å; D480-A483 PolarHBondContact OD1-N 2.61Å; A483-D486 PolarHBondContact O-N 3.48Å; A483-R487 WeakPolarHBondContact O-CG 3.33Å; A483-R487 PolarHBondContact O-N 2.82Å
484	T	96.6	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-43.8	173.6	-60.3	0	0	0	0	111.2	I444 D480 E482 D486 R487 F488	I444-T484 HydrophobicContact CD1-CG2 3.45Å; I444-T484 VanDerWaalsContact CD1-CG2 3.45Å; I444-T484 HydrophobicContact CG1-CG2 4.12Å; D480-T484 VanDerWaalsContact O-CB 3.29Å; D480-T484 WeakPolarHBondContact O-CB 3.49Å; D480-T484 PolarHBondContact O-N 3.44Å; D480-T484 PolarHBondContact O-OG1 2.87Å; E482-T484 VanDerWaalsContact C-N 3.27Å; E482-T484 PolarHBondContact O-N 2.9Å; T484-D486 VanDerWaalsContact C-N 3.34Å; T484-D486 PolarHBondContact O-N 2.94Å; T484-R487 PolarHBondContact O-N 2.9Å; T484-F488 PolarHBondContact O-N 2.56Å
485	R	95.8	Very high	95.9	Very high	22 Å²	22	54.5 Å²	54.5	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-46.7	172.8	178.4	-168.8	61.6	-147.7	-12.8	111.7	L426 F437 V439 N481 E482 R487 F488 I489	L426-R485 HydrophobicContact CD1-CG 3.75Å; F437-R485 VanDerWaalsContact O-CD 3.23Å; F437-R485 WeakPolarHBondContact O-CD 3.32Å; V439-R485 HydrophobicContact CG2-CB 3.92Å; V439-R485 HydrophobicContact CG2-CG 4.42Å; N481-R485 WeakPolarHBondContact O-CB 3.41Å; N481-R485 PolarHBondContact O-N 2.97Å; E482-R485 WeakPolarHBondContact O-CB 3.35Å; E482-R485 PolarHBondContact O-N 3.18Å; R485-R487 VanDerWaalsContact C-N 3.28Å; R485-R487 PolarHBondContact O-N 2.87Å; R485-F488 WeakPolarHBondContact O-CB 3.49Å; R485-F488 PolarHBondContact O-N 3.12Å; R485-F488 VanDerWaalsContact O-N 3.12Å; R485-I489 HydrophobicContact CG-CD1 4.05Å; R485-I489 WeakPolarHBondContact O-CG1 3.45Å; R485-I489 PolarHBondContact O-N 3.22Å
486	D	96.3	Very high	95.8	Very high	81 Å²	81	48 Å²	48	43%	0.433	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-37.3	-178.4	-65.2	-4.8	0	0	0	111.4	E482 A483 T484 I489 H490	E482-D486 PolarHBondContact O-N 3.38Å; E482-D486 VanDerWaalsContact O-N 3.11Å; A483-D486 PolarHBondContact O-N 3.48Å; T484-D486 VanDerWaalsContact C-N 3.34Å; T484-D486 PolarHBondContact O-N 2.94Å; D486-I489 PolarHBondContact O-N 3.29Å; D486-H490 PolarHBondContact O-N 2.92Å
487	R	96.3	Very high	95.8	Very high	95 Å²	95	43.5 Å²	43.5	36%	0.358	21%	0.206	S	C	.	.	H	α-helix	trans	-68.3	-36	172.4	-68.3	-63	176.1	176.7	-0.3	113.7	Y472 F474 A483 T484 R485 H490 L491	Y472-R487 WeakPolarHBondContact O-CB 3.44Å; F474-R487 HydrophobicContact CB-CG 3.92Å; A483-R487 WeakPolarHBondContact O-CG 3.33Å; A483-R487 PolarHBondContact O-N 2.82Å; T484-R487 PolarHBondContact O-N 2.9Å; R485-R487 VanDerWaalsContact C-N 3.28Å; R485-R487 PolarHBondContact O-N 2.87Å; R487-H490 PolarHBondContact O-N 2.99Å; R487-L491 PolarHBondContact O-N 2.84Å
488	F	96.9	Very high	95.9	Very high	2 Å²	2	40 Å²	40	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-42.3	172	178	-99	0	0	0	111.7	V425 L426 V439 F443 I444 K447 T484 R485 H490 L491 A492	V425-F488 HydrophobicContact CB-CE1 4.32Å; V425-F488 HydrophobicContact CB-CZ 4.43Å; V425-F488 HydrophobicContact CG1-CE1 4.14Å; V425-F488 HydrophobicContact CG1-CZ 3.81Å; L426-F488 HydrophobicContact CD1-CD1 4.19Å; L426-F488 HydrophobicContact CD2-CD1 3.44Å; L426-F488 VanDerWaalsContact CD2-CD1 3.44Å; L426-F488 HydrophobicContact CD2-CE1 3.46Å; L426-F488 VanDerWaalsContact CD2-CE1 3.46Å; L426-F488 HydrophobicContact CG-CD1 3.69Å; L426-F488 HydrophobicContact CG-CE1 3.68Å; V439-F488 HydrophobicContact CG2-CB 4.22Å; F443-F488 HydrophobicContact CD1-CD2 4.33Å; F443-F488 HydrophobicContact CD1-CE2 4.3Å; F443-F488 HydrophobicContact CE1-CD1 4.23Å; F443-F488 HydrophobicContact CE1-CD2 4.1Å; F443-F488 AromaticContact CE1-CE1 3.88Å; F443-F488 HydrophobicContact CE1-CE1 3.88Å; F443-F488 AromaticContact CE1-CE2 3.74Å; F443-F488 HydrophobicContact CE1-CE2 3.74Å; F443-F488 HydrophobicContact CE1-CG 4.32Å; F443-F488 AromaticContact CE1-CZ 3.61Å; F443-F488 HydrophobicContact CE1-CZ 3.61Å; F443-F488 HydrophobicContact CZ-CZ 4.3Å; I444-F488 HydrophobicContact CD1-CB 3.91Å; I444-F488 HydrophobicContact CG1-CB 4.01Å; I444-F488 HydrophobicContact CG1-CD2 4Å; I444-F488 HydrophobicContact CG1-CG 4.4Å; K447-F488 HydrophobicContact CB-CE2 3.79Å; K447-F488 HydrophobicContact CB-CZ 4.47Å; K447-F488 HydrophobicContact CG-CE2 3.79Å; K447-F488 HydrophobicContact CG-CZ 4.1Å; T484-F488 PolarHBondContact O-N 2.56Å; R485-F488 WeakPolarHBondContact O-CB 3.49Å; R485-F488 PolarHBondContact O-N 3.12Å; R485-F488 VanDerWaalsContact O-N 3.12Å; F488-H490 VanDerWaalsContact C-N 3.29Å; F488-H490 PolarHBondContact O-N 3.26Å; F488-L491 WeakPolarHBondContact O-CB 3.44Å; F488-L491 PolarHBondContact O-N 3.23Å; F488-A492 HydrophobicContact CE1-CB 4.44Å; F488-A492 WeakPolarHBondContact O-CB 3.49Å; F488-A492 PolarHBondContact O-N 3.22Å
489	I	97.2	Very high	96.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-41.9	175.5	-68	164.8	0	0	0	110.1	N420 T423 L426 R485 D486 A492 S493 W538	N420-I489 HydrophobicContact CB-CG2 4.01Å; T423-I489 HydrophobicContact CG2-CD1 4.05Å; T423-I489 HydrophobicContact CG2-CG1 4.32Å; T423-I489 HydrophobicContact CG2-CG2 4.05Å; L426-I489 HydrophobicContact CD1-CD1 3.91Å; L426-I489 HydrophobicContact CD1-CG1 3.65Å; R485-I489 HydrophobicContact CG-CD1 4.05Å; R485-I489 WeakPolarHBondContact O-CG1 3.45Å; R485-I489 PolarHBondContact O-N 3.22Å; D486-I489 PolarHBondContact O-N 3.29Å; I489-A492 PolarHBondContact O-N 3.49Å; I489-S493 VanDerWaalsContact O-CB 3.26Å; I489-S493 WeakPolarHBondContact O-CB 2.99Å; I489-S493 PolarHBondContact O-N 3.1Å; I489-S493 PolarHBondContact O-OG 2.91Å; I489-W538 HydrophobicContact CD1-CE3 3.7Å; I489-W538 HydrophobicContact CD1-CZ3 4.08Å
490	H	97.1	Very high	96.2	Very high	48 Å²	48	27 Å²	27	22%	0.222	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-47.3	175.2	-171.3	-157.1	0	0	0	111.5	Y472 D486 R487 F488 A492 S493 D494 D626 H629	Y472-H490 HydrophobicContact CD1-CB 4.39Å; Y472-H490 HydrophobicContact CE1-CB 4.35Å; Y472-H490 AromaticContact CE1-CG 3.95Å; Y472-H490 AromaticContact CE1-ND1 3.87Å; D486-H490 PolarHBondContact O-N 2.92Å; R487-H490 PolarHBondContact O-N 2.99Å; F488-H490 VanDerWaalsContact C-N 3.29Å; F488-H490 PolarHBondContact O-N 3.26Å; H490-A492 PolarHBondContact O-N 3.13Å; H490-S493 PolarHBondContact O-N 2.8Å; H490-D494 IonicContact CD2-OD1 3.5Å; H490-D494 PolarHBondContact CD2-OD1 3.24Å; H490-D494 IonicContact CD2-OD2 3.83Å; H490-D494 PolarHBondContact CD2-OD2 3.42Å; H490-D494 VanDerWaalsContact CD2-OD2 3.29Å; H490-D494 IonicContact CE1-OD2 3.22Å; H490-D494 IonicContact NE2-OD1 2.77Å; H490-D494 IonicContact NE2-OD2 3.12Å; H490-D494 PolarHBondContact NE2-OD2 3.42Å; H490-D494 VanDerWaalsContact O-CG 3.31Å; H490-D494 PolarHBondContact O-N 2.81Å; H490-D626 IonicContact NE2-OD2 3.77Å; H490-D626 PolarHBondContact NE2-OD2 3.12Å; H490-H629 AromaticContact CE1-CD2 3.96Å; H490-H629 AromaticContact CE1-CE1 3.79Å; H490-H629 AromaticContact CE1-NE2 3.54Å
491	L	97.2	Very high	96.3	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-53.7	-53	174.1	-178.7	161.1	0	0	0	112.1	I444 I448 I468 Y472 R487 F488 D494 A495 W633	I444-L491 HydrophobicContact CG2-CD1 4.18Å; I448-L491 HydrophobicContact CD1-CD1 3.92Å; I448-L491 HydrophobicContact CG1-CD1 3.73Å; I468-L491 HydrophobicContact CG2-CD1 3.87Å; I468-L491 HydrophobicContact CG2-CG 4.44Å; Y472-L491 HydrophobicContact CD1-CB 3.6Å; Y472-L491 HydrophobicContact CD1-CG 4.41Å; Y472-L491 HydrophobicContact CD2-CB 3.91Å; Y472-L491 HydrophobicContact CD2-CD1 3.84Å; Y472-L491 HydrophobicContact CD2-CG 3.8Å; Y472-L491 VanDerWaalsContact CE1-CA 3.4Å; Y472-L491 HydrophobicContact CE1-CB 4.01Å; Y472-L491 HydrophobicContact CE2-CB 4.29Å; Y472-L491 HydrophobicContact CE2-CG 4.17Å; Y472-L491 HydrophobicContact CG-CB 3.55Å; Y472-L491 HydrophobicContact CG-CD1 3.93Å; Y472-L491 HydrophobicContact CG-CG 3.94Å; R487-L491 PolarHBondContact O-N 2.84Å; F488-L491 WeakPolarHBondContact O-CB 3.44Å; F488-L491 PolarHBondContact O-N 3.23Å; L491-D494 PolarHBondContact O-N 3.45Å; L491-A495 VanDerWaalsContact O-CB 3.24Å; L491-A495 WeakPolarHBondContact O-CB 3.19Å; L491-A495 PolarHBondContact O-N 2.98Å; L491-W633 HydrophobicContact CG-CZ2 4.42Å
492	A	95.8	Very high	96.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.4	-40.9	-177.8	0	0	0	0	0	111.4	V425 F488 I489 H490 D494 Y496	V425-A492 HydrophobicContact CB-CB 4.19Å; V425-A492 HydrophobicContact CG2-CB 3.9Å; F488-A492 HydrophobicContact CE1-CB 4.44Å; F488-A492 WeakPolarHBondContact O-CB 3.49Å; F488-A492 PolarHBondContact O-N 3.22Å; I489-A492 PolarHBondContact O-N 3.49Å; H490-A492 PolarHBondContact O-N 3.13Å; A492-D494 VanDerWaalsContact C-N 3.33Å; A492-D494 PolarHBondContact O-N 2.94Å; A492-Y496 HydrophobicContact CB-CD2 4.09Å; A492-Y496 HydrophobicContact CB-CE2 4.35Å; A492-Y496 WeakPolarHBondContact O-CB 3.44Å; A492-Y496 WeakPolarHBondContact O-CD2 3.02Å; A492-Y496 PolarHBondContact O-N 2.93Å; A492-Y496 VanDerWaalsContact O-N 3.09Å
493	S	97.3	Very high	96.6	Very high	3 Å²	3	17 Å²	17	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-57.8	-48.9	175.8	-57.5	0	0	0	0	110.2	G422 I489 H490 Y497 V498	G422-S493 WeakPolarHBondContact CA-OG 2.97Å; G422-S493 PolarHBondContact N-OG 2.96Å; I489-S493 VanDerWaalsContact O-CB 3.26Å; I489-S493 WeakPolarHBondContact O-CB 2.99Å; I489-S493 PolarHBondContact O-N 3.1Å; I489-S493 PolarHBondContact O-OG 2.91Å; H490-S493 PolarHBondContact O-N 2.8Å; S493-Y497 CarbonylContact O-C 3.44Å; S493-Y497 WeakPolarHBondContact O-CA 3.3Å; S493-Y497 WeakPolarHBondContact O-CB 3.31Å; S493-Y497 PolarHBondContact O-N 3.09Å; S493-V498 PolarHBondContact O-N 3.36Å
494	D	97.2	Very high	96.7	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	7%	0.074	C	C	.	.	I	π-helix	trans	-68.4	-48.3	-176.1	-68.2	-8.7	0	0	0	112.8	Y472 H490 L491 A492 Y496 V498 S499 H629	Y472-D494 WeakPolarHBondContact CE1-OD2 3.41Å; Y472-D494 WeakPolarHBondContact OH-CB 3.26Å; Y472-D494 PolarHBondContact OH-OD2 3.22Å; H490-D494 IonicContact CD2-OD1 3.5Å; H490-D494 PolarHBondContact CD2-OD1 3.24Å; H490-D494 IonicContact CD2-OD2 3.83Å; H490-D494 PolarHBondContact CD2-OD2 3.42Å; H490-D494 VanDerWaalsContact CD2-OD2 3.29Å; H490-D494 IonicContact CE1-OD2 3.22Å; H490-D494 IonicContact NE2-OD1 2.77Å; H490-D494 IonicContact NE2-OD2 3.12Å; H490-D494 PolarHBondContact NE2-OD2 3.42Å; H490-D494 VanDerWaalsContact O-CG 3.31Å; H490-D494 PolarHBondContact O-N 2.81Å; L491-D494 PolarHBondContact O-N 3.45Å; A492-D494 VanDerWaalsContact C-N 3.33Å; A492-D494 PolarHBondContact O-N 2.94Å; D494-Y496 PolarHBondContact O-N 2.8Å; D494-V498 WeakPolarHBondContact OD1-CG2 3.39Å; D494-S499 WeakPolarHBondContact O-CB 3.29Å; D494-S499 PolarHBondContact O-N 3.4Å; D494-H629 WeakPolarHBondContact OD2-CB 3.5Å; D494-H629 IonicContact OD2-CD2 3.61Å; D494-H629 PolarHBondContact OD2-CD2 3.3Å; D494-H629 IonicContact OD2-CG 2.86Å
495	A	94.8	Very high	96.7	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.033	7%	0.074	C	C	.	.	I	π-helix	trans	-67.2	-38.2	-174.4	0	0	0	0	0	112.9	Y451 L491 W633	Y451-A495 HydrophobicContact CD2-CB 4.47Å; Y451-A495 HydrophobicContact CE2-CB 3.88Å; L491-A495 VanDerWaalsContact O-CB 3.24Å; L491-A495 WeakPolarHBondContact O-CB 3.19Å; L491-A495 PolarHBondContact O-N 2.98Å; A495-W633 HydrophobicContact CB-CD2 4.25Å; A495-W633 HydrophobicContact CB-CE3 4.21Å; A495-W633 HydrophobicContact CB-CH2 3.63Å; A495-W633 HydrophobicContact CB-CZ2 3.62Å; A495-W633 HydrophobicContact CB-CZ3 3.94Å
496	Y	94.1	Very high	96.8	Very high	15 Å²	15	16.5 Å²	16.5	6%	0.059	8%	0.077	C	C	.	.	I	π-helix	trans	-100.6	-25.8	-171.7	-62.4	-64.8	0	0	0	113.7	S330 Y331 H332 V425 Y451 A492 D494 P500	S330-Y496 PolarHBondContact OG-O 2.88Å; Y331-Y496 HydrophobicContact CE1-CD1 4.02Å; Y331-Y496 AromaticContact CE1-CE1 3.91Å; Y331-Y496 HydrophobicContact CE1-CE1 3.91Å; Y331-Y496 AromaticContact CZ-CE1 3.92Å; Y331-Y496 WeakPolarHBondContact OH-CE1 3.03Å; H332-Y496 AromaticContact CE1-CD1 3.47Å; H332-Y496 VanDerWaalsContact CE1-CD1 3.47Å; H332-Y496 WeakPolarHBondContact CE1-CD1 3.47Å; H332-Y496 AromaticContact CG-CD1 3.88Å; H332-Y496 AromaticContact ND1-CD1 3.46Å; H332-Y496 WeakPolarHBondContact ND1-CD1 3.24Å; H332-Y496 AromaticContact NE2-CD1 3.93Å; V425-Y496 HydrophobicContact CG2-CD2 3.92Å; V425-Y496 HydrophobicContact CG2-CE2 4.03Å; Y451-Y496 HydrophobicContact CD2-CE1 4.36Å; Y451-Y496 HydrophobicContact CE2-CE1 4.48Å; A492-Y496 HydrophobicContact CB-CD2 4.09Å; A492-Y496 HydrophobicContact CB-CE2 4.35Å; A492-Y496 WeakPolarHBondContact O-CB 3.44Å; A492-Y496 WeakPolarHBondContact O-CD2 3.02Å; A492-Y496 PolarHBondContact O-N 2.93Å; A492-Y496 VanDerWaalsContact O-N 3.09Å; D494-Y496 PolarHBondContact O-N 2.8Å; Y496-P500 WeakPolarHBondContact O-CG 3.34Å
497	Y	96.6	Very high	96.8	Very high	13 Å²	13	13.8 Å²	13.8	5%	0.051	6%	0.062	C	C	.	.	I	π-helix	trans	-128.7	-62.3	-172.5	-47.1	-85.1	0	0	0	113	S325 D421 E424 S493 S499 P500 V501 H543	S325-Y497 WeakPolarHBondContact O-CD1 3.18Å; D421-Y497 HydrophobicContact CB-CD1 4.19Å; D421-Y497 HydrophobicContact CB-CD2 3.42Å; D421-Y497 VanDerWaalsContact CB-CD2 3.42Å; D421-Y497 HydrophobicContact CB-CE2 3.8Å; D421-Y497 HydrophobicContact CB-CG 3.62Å; E424-Y497 PolarHBondContact OE2-OH 3.2Å; S493-Y497 CarbonylContact O-C 3.44Å; S493-Y497 WeakPolarHBondContact O-CA 3.3Å; S493-Y497 WeakPolarHBondContact O-CB 3.31Å; S493-Y497 PolarHBondContact O-N 3.09Å; Y497-S499 PolarHBondContact O-N 2.83Å; Y497-P500 VanDerWaalsContact O-CD 3.29Å; Y497-P500 WeakPolarHBondContact O-CD 3.38Å; Y497-P500 WeakPolarHBondContact O-CG 3.47Å; Y497-V501 WeakPolarHBondContact O-CB 3.39Å; Y497-V501 WeakPolarHBondContact O-CG2 3.36Å; Y497-V501 PolarHBondContact O-N 2.77Å; Y497-H543 AromaticContact CD1-CE1 3.94Å; Y497-H543 AromaticContact CE1-CE1 3.26Å; Y497-H543 WeakPolarHBondContact CE1-CE1 3.49Å; Y497-H543 AromaticContact CE1-ND1 3.75Å; Y497-H543 AromaticContact CZ-CE1 3.81Å; Y497-H543 AromaticContact CZ-ND1 3.97Å
498	V	97.6	Very high	96.8	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.018	5%	0.045	C	C	.	.	I	π-helix	trans	-57.7	-51.6	-172.6	-172.6	0	0	0	0	111.3	I417 S493 D494 S502 Y625 V630	I417-V498 HydrophobicContact CD1-CB 4.15Å; I417-V498 HydrophobicContact CD1-CG1 4Å; I417-V498 HydrophobicContact CD1-CG2 3.7Å; S493-V498 PolarHBondContact O-N 3.36Å; D494-V498 WeakPolarHBondContact OD1-CG2 3.39Å; V498-S502 WeakPolarHBondContact O-CB 3.35Å; V498-S502 PolarHBondContact O-N 3.4Å; V498-S502 PolarHBondContact O-OG 3.01Å; V498-Y625 HydrophobicContact CG1-CD1 3.79Å; V498-Y625 HydrophobicContact CG1-CE1 3.72Å; V498-Y625 HydrophobicContact CG2-CE1 4.23Å; V498-V630 HydrophobicContact CG1-CG2 3.96Å
499	S	97	Very high	96.8	Very high	4 Å²	4	10 Å²	10	3%	0.028	5%	0.05	C	C	.	.	H	α-helix	trans	-63.2	-53.7	-178.1	-177.2	0	0	0	0	113.4	D494 Y497 K503 W633 N634	D494-S499 WeakPolarHBondContact O-CB 3.29Å; D494-S499 PolarHBondContact O-N 3.4Å; Y497-S499 PolarHBondContact O-N 2.83Å; S499-K503 WeakPolarHBondContact O-CB 3.49Å; S499-K503 PolarHBondContact O-N 3.21Å; S499-W633 WeakPolarHBondContact OG-CB 3.35Å; S499-N634 PolarHBondContact O-ND2 3.35Å; S499-N634 PolarHBondContact OG-ND2 3.27Å; S499-N634 PolarHBondContact OG-OD1 2.91Å
500	P	96.7	Very high	96.7	Very high	7 Å²	7	15.6 Å²	15.6	5%	0.045	8%	0.076	C	C	.	.	H	α-helix	trans	-69.7	-36.2	-179.6	24.9	-33.5	0	0	0	113.7	S327 S330 Y496 Y497 K503 S504	S327-P500 PolarHBondContact OG-O 2.83Å; S330-P500 WeakPolarHBondContact OG-CB 3.4Å; S330-P500 VanDerWaalsContact OG-CG 3.28Å; S330-P500 WeakPolarHBondContact OG-CG 3.47Å; Y496-P500 WeakPolarHBondContact O-CG 3.34Å; Y497-P500 VanDerWaalsContact O-CD 3.29Å; Y497-P500 WeakPolarHBondContact O-CD 3.38Å; Y497-P500 WeakPolarHBondContact O-CG 3.47Å; P500-K503 PolarHBondContact O-N 3.33Å; P500-S504 WeakPolarHBondContact O-CB 3.43Å; P500-S504 PolarHBondContact O-N 3.36Å
501	V	98	Very high	96.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.9	-45.2	175.8	171.7	0	0	0	0	110.6	T415 I417 Y497 K503 S504 A505 M517	T415-V501 HydrophobicContact CG2-CG1 4.05Å; T415-V501 WeakPolarHBondContact OG1-CG1 3.48Å; I417-V501 HydrophobicContact CG2-CB 3.94Å; I417-V501 HydrophobicContact CG2-CG1 4.01Å; I417-V501 HydrophobicContact CG2-CG2 3.88Å; Y497-V501 WeakPolarHBondContact O-CB 3.39Å; Y497-V501 WeakPolarHBondContact O-CG2 3.36Å; Y497-V501 PolarHBondContact O-N 2.77Å; V501-K503 VanDerWaalsContact C-N 3.34Å; V501-K503 PolarHBondContact O-N 3.25Å; V501-S504 WeakPolarHBondContact O-CB 3.42Å; V501-S504 PolarHBondContact O-N 3.32Å; V501-A505 WeakPolarHBondContact O-CB 3.24Å; V501-A505 PolarHBondContact O-N 2.7Å; V501-M517 HydrophobicContact CG1-CE 4.5Å
502	S	97.6	Very high	96.2	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-40.4	176.4	-59.1	0	0	0	0	111.8	V498 S504 A505 Q506	V498-S502 WeakPolarHBondContact O-CB 3.35Å; V498-S502 PolarHBondContact O-N 3.4Å; V498-S502 PolarHBondContact O-OG 3.01Å; S502-S504 VanDerWaalsContact C-N 3.35Å; S502-S504 PolarHBondContact O-N 3.25Å; S502-A505 PolarHBondContact O-N 2.66Å; S502-Q506 WeakPolarHBondContact O-CB 3.45Å; S502-Q506 PolarHBondContact O-N 3.15Å
503	K	96.7	Very high	96.2	Very high	30 Å²	30	17.4 Å²	17.4	13%	0.13	10%	0.104	C	C	.	.	H	α-helix	trans	-61.1	-43	173.8	-167.4	179.6	179.5	179.7	0	111.8	L329 E399 S499 P500 V501 Q506 M507	L329-K503 HydrophobicContact CD1-CB 4.14Å; L329-K503 HydrophobicContact CD1-CD 4.09Å; L329-K503 HydrophobicContact CD1-CG 3.82Å; E399-K503 VanDerWaalsContact OE1-CE 3.28Å; E399-K503 WeakPolarHBondContact OE1-CE 3.19Å; E399-K503 IonicContact OE1-NZ 3.67Å; E399-K503 PolarHBondContact OE1-NZ 3.33Å; E399-K503 IonicContact OE2-NZ 3.67Å; E399-K503 PolarHBondContact OE2-NZ 3.3Å; S499-K503 WeakPolarHBondContact O-CB 3.49Å; S499-K503 PolarHBondContact O-N 3.21Å; P500-K503 PolarHBondContact O-N 3.33Å; V501-K503 VanDerWaalsContact C-N 3.34Å; V501-K503 PolarHBondContact O-N 3.25Å; K503-Q506 PolarHBondContact O-N 3.32Å; K503-M507 HydrophobicContact CD-CE 4.39Å; K503-M507 HydrophobicContact CG-CE 4.15Å; K503-M507 HydrophobicContact CG-SD 4.26Å; K503-M507 WeakPolarHBondContact O-CB 3.32Å; K503-M507 WeakPolarHBondContact O-CG 3.47Å; K503-M507 PolarHBondContact O-N 2.89Å
504	S	97.2	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-44.8	177.6	175.1	0	0	0	0	111.6	S327 Y413 P500 V501 S502 Q506 M507 R508	S327-S504 WeakPolarHBondContact OG-CB 3.4Å; Y413-S504 PolarHBondContact OH-OG 3.43Å; P500-S504 WeakPolarHBondContact O-CB 3.43Å; P500-S504 PolarHBondContact O-N 3.36Å; V501-S504 WeakPolarHBondContact O-CB 3.42Å; V501-S504 PolarHBondContact O-N 3.32Å; S502-S504 VanDerWaalsContact C-N 3.35Å; S502-S504 PolarHBondContact O-N 3.25Å; S504-Q506 PolarHBondContact O-N 3.29Å; S504-M507 PolarHBondContact O-N 2.79Å; S504-R508 VanDerWaalsContact O-CB 3.27Å; S504-R508 WeakPolarHBondContact O-CB 3.4Å; S504-R508 VanDerWaalsContact O-CG 3.24Å; S504-R508 WeakPolarHBondContact O-CG 3.49Å; S504-R508 PolarHBondContact O-N 3.2Å; S504-R508 PolarHBondContact OG-NE 3.19Å; S504-R508 VanDerWaalsContact OG-NE 3.14Å
505	A	97.8	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-47.9	174.7	0	0	0	0	0	111.5	T415 V501 S502 S509 V515 M517 Y605	T415-A505 HydrophobicContact CG2-CB 4.11Å; V501-A505 WeakPolarHBondContact O-CB 3.24Å; V501-A505 PolarHBondContact O-N 2.7Å; S502-A505 PolarHBondContact O-N 2.66Å; A505-S509 WeakPolarHBondContact O-CB 3.29Å; A505-S509 PolarHBondContact O-N 2.97Å; A505-S509 PolarHBondContact O-OG 2.75Å; A505-V515 HydrophobicContact CB-CG1 4.01Å; A505-M517 HydrophobicContact CB-SD 4.34Å; A505-Y605 HydrophobicContact CB-CD1 4.37Å; A505-Y605 HydrophobicContact CB-CD2 4.42Å; A505-Y605 HydrophobicContact CB-CE1 4.3Å; A505-Y605 HydrophobicContact CB-CE2 4.33Å; A505-Y605 HydrophobicContact CB-CG 4.44Å
506	Q	97.1	Very high	96.4	Very high	28 Å²	28	22.1 Å²	22.1	13%	0.131	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-57.6	176.2	-178	65.2	28	0	0	111.5	S502 K503 S504 R508 S509 E510 Y605 P607 H610 W627	S502-Q506 WeakPolarHBondContact O-CB 3.45Å; S502-Q506 PolarHBondContact O-N 3.15Å; K503-Q506 PolarHBondContact O-N 3.32Å; S504-Q506 PolarHBondContact O-N 3.29Å; Q506-R508 VanDerWaalsContact C-N 3.32Å; Q506-R508 PolarHBondContact O-N 2.96Å; Q506-S509 PolarHBondContact O-N 3.44Å; Q506-S509 VanDerWaalsContact O-N 3.15Å; Q506-S509 PolarHBondContact O-OG 2.85Å; Q506-E510 PolarHBondContact NE2-OE1 2.87Å; Q506-E510 WeakPolarHBondContact O-CG 3.46Å; Q506-E510 PolarHBondContact O-N 3.41Å; Q506-Y605 HydrophobicContact CB-CE1 4.41Å; Q506-Y605 PolarHBondContact OE1-OH 3.18Å; Q506-P607 PolarHBondContact NE2-O 3.06Å; Q506-H610 PolarHBondContact OE1-CD2 3.28Å; Q506-H610 VanDerWaalsContact OE1-CD2 3.25Å; Q506-H610 PolarHBondContact OE1-NE2 3.48Å; Q506-W627 HydrophobicContact CB-CH2 4.45Å
507	M	96.9	Very high	96.6	Very high	25 Å²	25	21.6 Å²	21.6	12%	0.123	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-36.4	-175.2	-72.3	-175	168.8	0	0	112.7	L329 E399 L402 Q403 K503 S504 E510 S511	L329-M507 HydrophobicContact CD1-SD 3.67Å; E399-M507 HydrophobicContact CG-CE 4.06Å; E399-M507 HydrophobicContact CG-SD 4.36Å; L402-M507 HydrophobicContact CB-CB 4.08Å; L402-M507 HydrophobicContact CB-SD 4.31Å; L402-M507 HydrophobicContact CD1-CB 4.06Å; L402-M507 HydrophobicContact CD1-SD 4.35Å; Q403-M507 HydrophobicContact CG-CE 4.43Å; K503-M507 HydrophobicContact CD-CE 4.39Å; K503-M507 HydrophobicContact CG-CE 4.15Å; K503-M507 HydrophobicContact CG-SD 4.26Å; K503-M507 WeakPolarHBondContact O-CB 3.32Å; K503-M507 WeakPolarHBondContact O-CG 3.47Å; K503-M507 PolarHBondContact O-N 2.89Å; S504-M507 PolarHBondContact O-N 2.79Å; M507-E510 PolarHBondContact O-N 3.36Å; M507-S511 WeakPolarHBondContact O-CB 3.48Å; M507-S511 PolarHBondContact O-N 3.47Å; M507-S511 PolarHBondContact O-OG 2.97Å
508	R	97.1	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.6	-36	176.5	-71.2	175.8	-173.7	-76.7	-1.8	112.4	G306 M309 D328 L402 Y413 S504 Q506 E510 S511 G512 S513 V515	G306-R508 PolarHBondContact O-NH2 3.4Å; M309-R508 PolarHBondContact SD-NH1 2.72Å; M309-R508 VanDerWaalsContact SD-NH1 3.35Å; D328-R508 IonicContact OD1-CZ 2.89Å; D328-R508 IonicContact OD1-NH2 2.69Å; D328-R508 PolarHBondContact OD1-NH2 3.06Å; D328-R508 IonicContact OD2-NH2 2.83Å; D328-R508 PolarHBondContact OD2-NH2 3.47Å; L402-R508 HydrophobicContact CD2-CG 3.82Å; Y413-R508 VanDerWaalsContact CD1-CD 3.47Å; Y413-R508 VanDerWaalsContact CE1-CD 3.45Å; S504-R508 VanDerWaalsContact O-CB 3.27Å; S504-R508 WeakPolarHBondContact O-CB 3.4Å; S504-R508 VanDerWaalsContact O-CG 3.24Å; S504-R508 WeakPolarHBondContact O-CG 3.49Å; S504-R508 PolarHBondContact O-N 3.2Å; S504-R508 PolarHBondContact OG-NE 3.19Å; S504-R508 VanDerWaalsContact OG-NE 3.14Å; Q506-R508 VanDerWaalsContact C-N 3.32Å; Q506-R508 PolarHBondContact O-N 2.96Å; R508-E510 VanDerWaalsContact C-N 3.28Å; R508-E510 PolarHBondContact O-N 3.35Å; R508-S511 WeakPolarHBondContact CA-OG 3.28Å; R508-S511 PolarHBondContact O-N 2.87Å; R508-S511 PolarHBondContact O-OG 2.03Å; R508-G512 PolarHBondContact O-N 3.27Å; R508-S513 WeakPolarHBondContact O-CB 3.41Å; R508-S513 PolarHBondContact O-N 2.87Å; R508-V515 HydrophobicContact CB-CG2 3.9Å
509	S	96.1	Very high	96.7	Very high	16 Å²	16	20.9 Å²	20.9	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-34.7	173.8	79.6	0	0	0	0	111.7	A505 Q506	A505-S509 WeakPolarHBondContact O-CB 3.29Å; A505-S509 PolarHBondContact O-N 2.97Å; A505-S509 PolarHBondContact O-OG 2.75Å; Q506-S509 PolarHBondContact O-N 3.44Å; Q506-S509 VanDerWaalsContact O-N 3.15Å; Q506-S509 PolarHBondContact O-OG 2.85Å
510	E	95.2	Very high	96.8	Very high	120 Å²	120	20.7 Å²	20.7	56%	0.561	12%	0.12	S	C	*	.	H	α-helix	trans	-74.8	-33.1	175.3	-69.6	172.9	167.5	0	0	112.5	Q506 M507 R508 G512 P607	Q506-E510 PolarHBondContact NE2-OE1 2.87Å; Q506-E510 WeakPolarHBondContact O-CG 3.46Å; Q506-E510 PolarHBondContact O-N 3.41Å; M507-E510 PolarHBondContact O-N 3.36Å; R508-E510 VanDerWaalsContact C-N 3.28Å; R508-E510 PolarHBondContact O-N 3.35Å; E510-G512 VanDerWaalsContact C-N 3.27Å; E510-G512 PolarHBondContact O-N 3.43Å; E510-P607 HydrophobicContact CG-CB 3.98Å; E510-P607 HydrophobicContact CG-CG 4.16Å
511	S	92.8	Very high	96.8	Very high	25 Å²	25	20.6 Å²	20.6	18%	0.175	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.7	179.2	76.4	0	0	0	0	114.3	M507 R508	M507-S511 WeakPolarHBondContact O-CB 3.48Å; M507-S511 PolarHBondContact O-N 3.47Å; M507-S511 PolarHBondContact O-OG 2.97Å; R508-S511 WeakPolarHBondContact CA-OG 3.28Å; R508-S511 PolarHBondContact O-N 2.87Å; R508-S511 PolarHBondContact O-OG 2.03Å
512	G	90.3	Very high	96.7	Very high	61 Å²	61	20.9 Å²	20.9	63%	0.629	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.6	1.4	171.2	0	0	0	0	0	116.8	R508 E510	R508-G512 PolarHBondContact O-N 3.27Å; E510-G512 VanDerWaalsContact C-N 3.27Å; E510-G512 PolarHBondContact O-N 3.43Å
513	S	96.1	Very high	96.5	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.042	14%	0.137	C	C	.	.			trans	-75.4	141.2	171.1	-81.8	0	0	0	0	110.6	V411 R508 V515	V411-S513 WeakPolarHBondContact O-CB 3.42Å; V411-S513 PolarHBondContact O-OG 2.78Å; R508-S513 WeakPolarHBondContact O-CB 3.41Å; R508-S513 PolarHBondContact O-N 2.87Å; S513-V515 PolarHBondContact O-N 2.8Å
514	I	97.4	Very high	96.3	Very high	88 Å²	88	23 Å²	23	45%	0.451	13%	0.133	S	C	.	.			trans	-75.3	115	165.7	-59.2	174.2	0	0	0	107.4	P412 Y413 Y516 N604	P412-I514 WeakPolarHBondContact CA-O 3.42Å; Y413-I514 PolarHBondContact N-O 2.78Å; I514-Y516 HydrophobicContact CG2-CD2 4.42Å; I514-Y516 HydrophobicContact CG2-CE2 3.67Å; I514-N604 HydrophobicContact CG2-CB 4.2Å
515	V	98.3	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.6	-175.8	-178.3	0	0	0	0	110.9	Y413 T415 A505 R508 S513 N604 Y605	Y413-V515 HydrophobicContact CD1-CG1 4.11Å; Y413-V515 HydrophobicContact CD1-CG2 4.3Å; Y413-V515 CarbonylContact O-C 3.59Å; Y413-V515 VanDerWaalsContact O-CA 3.25Å; Y413-V515 WeakPolarHBondContact O-CA 3.33Å; T415-V515 HydrophobicContact CG2-CG1 4.5Å; A505-V515 HydrophobicContact CB-CG1 4.01Å; R508-V515 HydrophobicContact CB-CG2 3.9Å; S513-V515 PolarHBondContact O-N 2.8Å; V515-N604 CarbonylContact O-C 3.56Å; V515-N604 VanDerWaalsContact O-CA 3.24Å; V515-N604 WeakPolarHBondContact O-CA 3.18Å; V515-N604 VanDerWaalsContact O-CB 3.31Å; V515-N604 WeakPolarHBondContact O-CB 3.44Å; V515-Y605 HydrophobicContact CG1-CG 4.41Å; V515-Y605 PolarHBondContact O-N 3.48Å
516	Y	98.3	Very high	94.3	Very high	22 Å²	22	26.2 Å²	26.2	9%	0.086	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.7	168	-63.7	-85.2	0	0	0	108.7	Y413 L414 T415 I514 F588 P594 W602 N604	Y413-Y516 PolarHBondContact O-N 2.59Å; L414-Y516 CarbonylContact C-O 3.52Å; L414-Y516 WeakPolarHBondContact CA-O 3.37Å; T415-Y516 PolarHBondContact N-O 3Å; I514-Y516 HydrophobicContact CG2-CD2 4.42Å; I514-Y516 HydrophobicContact CG2-CE2 3.67Å; Y516-F588 HydrophobicContact CD2-CE2 4.29Å; Y516-P594 HydrophobicContact CD1-CG 3.77Å; Y516-P594 HydrophobicContact CD2-CG 4.14Å; Y516-P594 HydrophobicContact CE1-CG 4.21Å; Y516-P594 HydrophobicContact CG-CG 3.73Å; Y516-W602 AromaticContact CD1-CD1 3.95Å; Y516-W602 HydrophobicContact CD1-CG 4.33Å; Y516-N604 HydrophobicContact CD1-CB 4.33Å; Y516-N604 HydrophobicContact CE1-CB 4.04Å
517	M	98.3	Very high	93.2	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.9	178.2	-170.1	172.7	172.5	0	0	111.1	T415 V501 A505 W602 Y605 Y612 L613	T415-M517 HydrophobicContact CG2-CB 4.44Å; T415-M517 HydrophobicContact CG2-CG 4.29Å; T415-M517 CarbonylContact O-C 3.51Å; T415-M517 WeakPolarHBondContact O-CA 3.23Å; V501-M517 HydrophobicContact CG1-CE 4.5Å; A505-M517 HydrophobicContact CB-SD 4.34Å; M517-W602 PolarHBondContact O-NE1 2.93Å; M517-Y605 HydrophobicContact CB-CD2 3.91Å; M517-Y605 HydrophobicContact SD-CD2 3.96Å; M517-Y605 HydrophobicContact SD-CE2 3.84Å; M517-Y612 CarbonylContact O-C 3.58Å; M517-Y612 VanDerWaalsContact O-CA 3.25Å; M517-Y612 WeakPolarHBondContact O-CA 3.44Å; M517-L613 PolarHBondContact O-N 3.27Å
518	Y	98.4	Very high	92.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.2	167.1	73.3	-82.4	0	0	0	112.3	L414 T415 G416 I417 N520 D546 F581 W585 W602 L613 I615	L414-Y518 HydrophobicContact CD2-CD1 3.96Å; L414-Y518 HydrophobicContact CD2-CE1 3.77Å; T415-Y518 WeakPolarHBondContact O-CD1 3.33Å; T415-Y518 PolarHBondContact O-N 2.96Å; G416-Y518 VanDerWaalsContact CA-CE1 3.46Å; G416-Y518 WeakPolarHBondContact CA-O 3.33Å; I417-Y518 PolarHBondContact N-O 3.33Å; Y518-N520 HydrophobicContact CD2-CB 4.2Å; Y518-N520 HydrophobicContact CE2-CB 3.96Å; Y518-D546 PolarHBondContact OH-OD2 3.47Å; Y518-F581 HydrophobicContact CE2-CE2 4.21Å; Y518-F581 HydrophobicContact CE2-CZ 4.21Å; Y518-W585 AromaticContact CD1-CH2 3.93Å; Y518-W585 HydrophobicContact CD1-CH2 3.93Å; Y518-W585 AromaticContact CE1-CH2 3.43Å; Y518-W585 HydrophobicContact CE1-CH2 3.43Å; Y518-W585 VanDerWaalsContact CE1-CH2 3.43Å; Y518-W585 AromaticContact CE1-CZ2 3.84Å; Y518-W585 HydrophobicContact CE1-CZ2 3.84Å; Y518-W585 AromaticContact CZ-CH2 3.77Å; Y518-W602 AromaticContact CD1-CH2 3.92Å; Y518-W602 HydrophobicContact CD1-CH2 3.92Å; Y518-W602 AromaticContact CD1-CZ2 3.93Å; Y518-W602 HydrophobicContact CD1-CZ2 3.93Å; Y518-W602 HydrophobicContact CG-CH2 4.17Å; Y518-W602 HydrophobicContact CG-CZ2 4.16Å; Y518-L613 CarbonylContact C-O 3.36Å; Y518-L613 WeakPolarHBondContact CA-O 3.29Å; Y518-L613 WeakPolarHBondContact CB-O 3.47Å; Y518-I615 HydrophobicContact CD2-CD1 3.66Å; Y518-I615 HydrophobicContact CD2-CG1 4.47Å; Y518-I615 HydrophobicContact CE2-CD1 4.46Å; Y518-I615 HydrophobicContact CG-CD1 3.87Å
519	V	98.4	Very high	91.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.4	167.7	178	0	0	0	0	107.9	I417 Y612 L613 K614 I615 Y625	I417-V519 HydrophobicContact CD1-CG2 4.06Å; I417-V519 HydrophobicContact CG1-CB 4.49Å; I417-V519 HydrophobicContact CG1-CG1 4.41Å; I417-V519 HydrophobicContact CG1-CG2 3.91Å; I417-V519 WeakPolarHBondContact O-CA 3.33Å; V519-Y612 HydrophobicContact CB-CD2 3.86Å; V519-Y612 HydrophobicContact CB-CE2 3.88Å; V519-Y612 HydrophobicContact CG2-CD2 3.43Å; V519-Y612 VanDerWaalsContact CG2-CD2 3.43Å; V519-Y612 HydrophobicContact CG2-CE2 3.67Å; V519-Y612 HydrophobicContact CG2-CG 4.23Å; V519-L613 PolarHBondContact N-O 2.77Å; V519-K614 WeakPolarHBondContact O-CA 3.43Å; V519-I615 PolarHBondContact O-N 2.97Å; V519-Y625 HydrophobicContact CB-CD2 4.46Å; V519-Y625 HydrophobicContact CB-CE2 4.33Å; V519-Y625 HydrophobicContact CG1-CD2 4.33Å; V519-Y625 HydrophobicContact CG1-CE1 4.38Å; V519-Y625 HydrophobicContact CG1-CE2 3.72Å; V519-Y625 HydrophobicContact CG2-CD1 3.89Å; V519-Y625 HydrophobicContact CG2-CD2 3.78Å; V519-Y625 HydrophobicContact CG2-CE1 4.13Å; V519-Y625 HydrophobicContact CG2-CE2 4Å; V519-Y625 HydrophobicContact CG2-CG 3.7Å
520	N	98.4	Very high	90.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.6	175.4	178.9	34.9	0	0	0	110.3	I417 N418 Q419 Y518 Y522 A541	I417-N520 PolarHBondContact O-N 3.42Å; N418-N520 VanDerWaalsContact OD1-CB 3.27Å; N418-N520 WeakPolarHBondContact OD1-CB 3.47Å; N418-N520 PolarHBondContact OD1-ND2 3.07Å; Q419-N520 PolarHBondContact N-O 2.94Å; Y518-N520 HydrophobicContact CD2-CB 4.2Å; Y518-N520 HydrophobicContact CE2-CB 3.96Å; N520-Y522 VanDerWaalsContact OD1-CB 3.27Å; N520-Y522 WeakPolarHBondContact OD1-CB 3.49Å; N520-Y522 PolarHBondContact OD1-N 3.04Å; N520-A541 WeakPolarHBondContact O-CB 3.45Å
521	S	96.6	Very high	89.6	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.035	23%	0.234	C	C	.	.			trans	-121.9	15.3	177.5	60.8	0	0	0	0	111.7	K614 I615 N616	S521-K614 WeakPolarHBondContact OG-CE 3.37Å; S521-I615 PolarHBondContact N-O 2.97Å; S521-I615 PolarHBondContact OG-O 3.16Å; S521-N616 PolarHBondContact O-ND2 3.33Å; S521-N616 PolarHBondContact OG-ND2 3.17Å; S521-N616 VanDerWaalsContact OG-ND2 3.14Å
522	Y	96.1	Very high	89	Confident	6 Å²	6	46.7 Å²	46.7	2%	0.024	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-78.8	124.2	-178.5	-176.7	-107.1	0	0	0	111.2	N520 F524 L549 T573 D574 M577 T617	N520-Y522 VanDerWaalsContact OD1-CB 3.27Å; N520-Y522 WeakPolarHBondContact OD1-CB 3.49Å; N520-Y522 PolarHBondContact OD1-N 3.04Å; Y522-F524 HydrophobicContact CD1-CD1 4.46Å; Y522-F524 HydrophobicContact CD1-CD2 4.48Å; Y522-F524 HydrophobicContact CD1-CE1 4.47Å; Y522-F524 HydrophobicContact CD1-CE2 4.47Å; Y522-F524 HydrophobicContact CD1-CG 4.48Å; Y522-F524 HydrophobicContact CD1-CZ 4.48Å; Y522-F524 AromaticContact CE1-CD1 3.83Å; Y522-F524 HydrophobicContact CE1-CD1 3.83Å; Y522-F524 HydrophobicContact CE1-CE1 4.06Å; Y522-F524 HydrophobicContact CE1-CG 4.1Å; Y522-L549 HydrophobicContact CD1-CD1 4.43Å; Y522-L549 HydrophobicContact CD1-CD2 4.29Å; Y522-L549 HydrophobicContact CE1-CD2 4.41Å; Y522-T573 HydrophobicContact CE2-CG2 4.13Å; Y522-D574 WeakPolarHBondContact CE1-OD1 3.36Å; Y522-D574 WeakPolarHBondContact OH-CA 3.34Å; Y522-D574 PolarHBondContact OH-N 2.75Å; Y522-D574 PolarHBondContact OH-OD1 3Å; Y522-M577 HydrophobicContact CD1-CB 4.43Å; Y522-M577 HydrophobicContact CD1-CG 4.4Å; Y522-M577 HydrophobicContact CD2-CE 4.39Å; Y522-M577 HydrophobicContact CD2-CG 3.79Å; Y522-M577 HydrophobicContact CD2-SD 4.44Å; Y522-M577 HydrophobicContact CE1-CB 4.17Å; Y522-M577 HydrophobicContact CE1-CG 4.16Å; Y522-M577 HydrophobicContact CE2-CB 4.39Å; Y522-M577 HydrophobicContact CE2-CG 3.51Å; Y522-M577 HydrophobicContact CG-CE 4.42Å; Y522-M577 HydrophobicContact CG-CG 4.22Å; Y522-T617 HydrophobicContact CD2-CG2 4.34Å; Y522-T617 HydrophobicContact CE2-CG2 4Å
523	N	93.1	Very high	88.6	Confident	64 Å²	64	49 Å²	49	34%	0.342	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-100.4	125.2	173.6	-65.7	-10.6	0	0	0	109.2	T526 G540 A541	N523-T526 HydrophobicContact CB-CG2 3.67Å; N523-G540 VanDerWaalsContact OD1-CA 3.26Å; N523-G540 WeakPolarHBondContact OD1-CA 3.44Å; N523-G540 PolarHBondContact OD1-O 3.33Å; N523-A541 PolarHBondContact OD1-N 3.23Å; N523-A541 VanDerWaalsContact OD1-N 3.1Å
524	F	92	Very high	88.2	Confident	11 Å²	11	49.4 Å²	49.4	5%	0.048	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	148.2	177.9	-74.9	-84.9	0	0	0	112.9	Y522 T526 F534 C545 F548 L549 P554 W570 D574	Y522-F524 HydrophobicContact CD1-CD1 4.46Å; Y522-F524 HydrophobicContact CD1-CD2 4.48Å; Y522-F524 HydrophobicContact CD1-CE1 4.47Å; Y522-F524 HydrophobicContact CD1-CE2 4.47Å; Y522-F524 HydrophobicContact CD1-CG 4.48Å; Y522-F524 HydrophobicContact CD1-CZ 4.48Å; Y522-F524 AromaticContact CE1-CD1 3.83Å; Y522-F524 HydrophobicContact CE1-CD1 3.83Å; Y522-F524 HydrophobicContact CE1-CE1 4.06Å; Y522-F524 HydrophobicContact CE1-CG 4.1Å; F524-T526 VanDerWaalsContact C-N 3.3Å; F524-T526 PolarHBondContact O-N 3.11Å; F524-T526 VanDerWaalsContact O-N 3.13Å; F524-F534 HydrophobicContact CB-CB 4.44Å; F524-F534 HydrophobicContact CB-CD1 3.65Å; F524-F534 HydrophobicContact CB-CE1 4.5Å; F524-F534 HydrophobicContact CD1-CD1 4.45Å; F524-F534 HydrophobicContact CD2-CD1 4.21Å; F524-F534 HydrophobicContact CD2-CE1 4.25Å; F524-F534 AromaticContact CG-CD1 3.87Å; F524-F534 HydrophobicContact CG-CD1 3.87Å; F524-F534 HydrophobicContact CG-CE1 4.29Å; F524-C545 HydrophobicContact CD2-CB 4.39Å; F524-C545 HydrophobicContact CE2-CB 3.86Å; F524-C545 VanDerWaalsContact CE2-O 3.25Å; F524-C545 WeakPolarHBondContact CE2-O 3.39Å; F524-C545 WeakPolarHBondContact CZ-O 3.45Å; F524-F548 HydrophobicContact CE1-CB 4.39Å; F524-F548 HydrophobicContact CE2-CB 4.25Å; F524-F548 HydrophobicContact CE2-CD2 4.37Å; F524-F548 HydrophobicContact CZ-CB 3.71Å; F524-L549 HydrophobicContact CE1-CD2 3.59Å; F524-L549 HydrophobicContact CE1-CG 4.35Å; F524-L549 HydrophobicContact CZ-CD2 3.44Å; F524-L549 VanDerWaalsContact CZ-CD2 3.44Å; F524-L549 HydrophobicContact CZ-CG 3.69Å; F524-P554 HydrophobicContact CE1-CG 4.43Å; F524-W570 HydrophobicContact CD1-CE3 4.18Å; F524-W570 AromaticContact CD1-CZ3 3.61Å; F524-W570 HydrophobicContact CD1-CZ3 3.61Å; F524-W570 HydrophobicContact CE1-CE3 4.49Å; F524-W570 AromaticContact CE1-CZ3 3.85Å; F524-W570 HydrophobicContact CE1-CZ3 3.85Å; F524-W570 HydrophobicContact CG-CZ3 4.36Å; F524-D574 WeakPolarHBondContact CA-OD1 3.26Å; F524-D574 HydrophobicContact CD1-CB 4.21Å; F524-D574 WeakPolarHBondContact CD1-OD1 3.22Å
525	S	81.7	Confident	87.9	Confident	1 Å²	1	46 Å²	46	1%	0.007	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	48.1	167.3	-50.6	0	0	0	0	113.6	N527 P528 Y569 D574	S525-N527 PolarHBondContact O-N 3.23Å; S525-N527 VanDerWaalsContact O-N 3.11Å; S525-P528 VanDerWaalsContact O-CD 3.32Å; S525-P528 WeakPolarHBondContact O-CD 3.47Å; S525-Y569 PolarHBondContact OG-O 3.02Å; S525-D574 PolarHBondContact N-OD1 3Å; S525-D574 VanDerWaalsContact N-OD1 3.17Å; S525-D574 PolarHBondContact OG-OD2 3.22Å
526	T	72.2	Confident	87.5	Confident	68 Å²	68	48.4 Å²	48.4	42%	0.417	25%	0.246	S	C	.	.	S	Bend	trans	-62.8	-21.6	-172	42.5	0	0	0	0	114.2	N523 F524 R533	N523-T526 HydrophobicContact CB-CG2 3.67Å; F524-T526 VanDerWaalsContact C-N 3.3Å; F524-T526 PolarHBondContact O-N 3.11Å; F524-T526 VanDerWaalsContact O-N 3.13Å; T526-R533 PolarHBondContact O-NH2 3.16Å; T526-R533 VanDerWaalsContact O-NH2 3.13Å
527	N	72.5	Confident	87.1	Confident	137 Å²	137	52.3 Å²	52.3	73%	0.733	27%	0.272	S	S	*	.	S	Bend	trans	-152.8	77.7	173.2	-70.4	-53.8	0	0	0	111	S525	S525-N527 PolarHBondContact O-N 3.23Å; S525-N527 VanDerWaalsContact O-N 3.11Å
528	P	75.4	Confident	86.8	Confident	9 Å²	9	54 Å²	54	6%	0.058	28%	0.278	C	S	.	.			trans	-78.9	148.7	-178	31.9	-25.7	0	0	0	110.2	S525 N530 K531 E532 Y569	S525-P528 VanDerWaalsContact O-CD 3.32Å; S525-P528 WeakPolarHBondContact O-CD 3.47Å; P528-N530 WeakPolarHBondContact CB-OD1 3.26Å; P528-N530 PolarHBondContact O-N 3.42Å; P528-K531 PolarHBondContact O-N 3.04Å; P528-E532 WeakPolarHBondContact CG-O 3.33Å; P528-Y569 HydrophobicContact CB-CD1 4.19Å
529	P	78.1	Confident	86.6	Confident	103 Å²	103	54.3 Å²	54.3	67%	0.669	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.8	-177.6	-25.7	34.4	0	0	0	114.4	K531 Y569	P529-K531 VanDerWaalsContact C-N 3.31Å; P529-Y569 HydrophobicContact CG-CE1 3.93Å
530	N	79.4	Confident	86.4	Confident	68 Å²	68	54.8 Å²	54.8	36%	0.364	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.3	176.8	65.9	-14.4	0	0	0	113.8	P528 E532	P528-N530 WeakPolarHBondContact CB-OD1 3.26Å; P528-N530 PolarHBondContact O-N 3.42Å; N530-E532 PolarHBondContact ND2-OE2 2.91Å; N530-E532 PolarHBondContact O-N 3.35Å; N530-E532 VanDerWaalsContact O-N 3.11Å; N530-E532 PolarHBondContact OD1-N 3.01Å
531	K	77.2	Confident	86.3	Confident	188 Å²	188	54.8 Å²	54.8	82%	0.817	29%	0.285	S	S	*	.	S	Bend	trans	62	3	-174.2	-55.4	-179.3	179	178.9	0	115.8	P528 P529	P528-K531 PolarHBondContact O-N 3.04Å; P529-K531 VanDerWaalsContact C-N 3.31Å
532	E	80.1	Confident	86.2	Confident	139 Å²	139	54.8 Å²	54.8	65%	0.65	29%	0.285	S	S	*	.			trans	-91.1	106.8	175.1	-64	173.5	165.1	0	0	109.2	P528 N530	P528-E532 WeakPolarHBondContact CG-O 3.33Å; N530-E532 PolarHBondContact ND2-OE2 2.91Å; N530-E532 PolarHBondContact O-N 3.35Å; N530-E532 VanDerWaalsContact O-N 3.11Å; N530-E532 PolarHBondContact OD1-N 3.01Å
533	R	81.7	Confident	86.2	Confident	110 Å²	110	54.9 Å²	54.9	42%	0.415	29%	0.285	S	S	.	.			trans	-72	145.3	176.8	-65.9	-173.1	173.8	-165.5	-0.8	110.2	T526 L535	T526-R533 PolarHBondContact O-NH2 3.16Å; T526-R533 VanDerWaalsContact O-NH2 3.13Å; R533-L535 VanDerWaalsContact C-N 3.31Å; R533-L535 VanDerWaalsContact CB-O 3.3Å; R533-L535 WeakPolarHBondContact CB-O 3.18Å; R533-L535 PolarHBondContact O-N 2.78Å
534	F	88.1	Confident	86.3	Confident	14 Å²	14	54.4 Å²	54.4	6%	0.061	28%	0.281	C	S	.	.	S	Bend	trans	-59	-44.8	171.2	170.7	-134.7	0	0	0	111.3	W182 F524 F548 L565 V568 W570	W182-F534 AromaticContact CH2-CE2 3.82Å; W182-F534 HydrophobicContact CH2-CE2 3.82Å; W182-F534 HydrophobicContact CH2-CZ 4.29Å; W182-F534 AromaticContact CZ2-CE2 4Å; W182-F534 HydrophobicContact CZ2-CE2 4Å; F524-F534 HydrophobicContact CB-CB 4.44Å; F524-F534 HydrophobicContact CB-CD1 3.65Å; F524-F534 HydrophobicContact CB-CE1 4.5Å; F524-F534 HydrophobicContact CD1-CD1 4.45Å; F524-F534 HydrophobicContact CD2-CD1 4.21Å; F524-F534 HydrophobicContact CD2-CE1 4.25Å; F524-F534 AromaticContact CG-CD1 3.87Å; F524-F534 HydrophobicContact CG-CD1 3.87Å; F524-F534 HydrophobicContact CG-CE1 4.29Å; F534-F548 AromaticContact CE1-CD2 3.8Å; F534-F548 HydrophobicContact CE1-CD2 3.8Å; F534-F548 AromaticContact CE1-CE2 3.91Å; F534-F548 HydrophobicContact CE1-CE2 3.91Å; F534-F548 HydrophobicContact CE1-CG 4.39Å; F534-F548 AromaticContact CZ-CD2 3.94Å; F534-F548 HydrophobicContact CZ-CD2 3.94Å; F534-F548 HydrophobicContact CZ-CE1 4.3Å; F534-F548 AromaticContact CZ-CE2 3.65Å; F534-F548 HydrophobicContact CZ-CE2 3.65Å; F534-F548 HydrophobicContact CZ-CG 4.42Å; F534-F548 AromaticContact CZ-CZ 3.86Å; F534-F548 HydrophobicContact CZ-CZ 3.86Å; F534-L565 HydrophobicContact CD2-CD2 4.29Å; F534-L565 HydrophobicContact CE2-CD2 3.43Å; F534-L565 VanDerWaalsContact CE2-CD2 3.43Å; F534-L565 HydrophobicContact CZ-CD2 4.2Å; F534-V568 HydrophobicContact CB-CG1 3.98Å; F534-V568 HydrophobicContact CD2-CB 4.49Å; F534-V568 HydrophobicContact CD2-CG1 3.84Å; F534-V568 HydrophobicContact CD2-CG2 3.81Å; F534-V568 HydrophobicContact CE2-CG2 4.37Å; F534-V568 HydrophobicContact CG-CG1 4.05Å; F534-W570 AromaticContact CD1-CH2 3.92Å; F534-W570 HydrophobicContact CD1-CH2 3.92Å; F534-W570 AromaticContact CD1-CZ3 3.87Å; F534-W570 HydrophobicContact CD1-CZ3 3.87Å; F534-W570 HydrophobicContact CD2-CH2 4.35Å; F534-W570 AromaticContact CE1-CH2 3.76Å; F534-W570 HydrophobicContact CE1-CH2 3.76Å; F534-W570 HydrophobicContact CE1-CZ3 4.07Å; F534-W570 HydrophobicContact CE2-CH2 4.24Å; F534-W570 HydrophobicContact CG-CH2 4.23Å; F534-W570 HydrophobicContact CG-CZ3 4.29Å; F534-W570 AromaticContact CZ-CH2 3.93Å; F534-W570 HydrophobicContact CZ-CH2 3.93Å
535	L	90.8	Very high	86.6	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.089	28%	0.279	C	S	.	.	S	Bend	trans	-126	148.5	178.1	-63.1	171.6	0	0	0	111.3	L181 W182 R533 M539 C542 C545	L181-L535 HydrophobicContact CD1-CD2 3.9Å; W182-L535 HydrophobicContact CH2-CD2 4.43Å; R533-L535 VanDerWaalsContact C-N 3.31Å; R533-L535 VanDerWaalsContact CB-O 3.3Å; R533-L535 WeakPolarHBondContact CB-O 3.18Å; R533-L535 PolarHBondContact O-N 2.78Å; L535-M539 HydrophobicContact CD2-CE 4.08Å; L535-M539 HydrophobicContact CD2-SD 4.33Å; L535-C542 HydrophobicContact CD1-CB 4.16Å; L535-C542 VanDerWaalsContact CD1-SG 3.54Å; L535-C545 VanDerWaalsContact CD1-SG 3.53Å
536	P	90.2	Very high	87.3	Confident	49 Å²	49	53.9 Å²	53.9	32%	0.318	28%	0.279	S	S	.	.			trans	-53.8	147.6	168.4	-24.8	33.8	0	0	0	112.6	L181 W538 M539	L181-P536 HydrophobicContact CD1-CG 4.02Å; L181-P536 HydrophobicContact CD2-CG 4.35Å; P536-W538 VanDerWaalsContact C-N 3.27Å; P536-W538 HydrophobicContact CB-CG 4.34Å; P536-W538 VanDerWaalsContact CB-NE1 3.29Å; P536-W538 PolarHBondContact O-N 2.88Å; P536-M539 HydrophobicContact CG-SD 4.18Å; P536-M539 PolarHBondContact O-N 3.41Å; P536-M539 VanDerWaalsContact O-N 3.1Å
537	V	90	Very high	88.5	Confident	105 Å²	105	50.6 Å²	50.6	64%	0.636	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-57.3	-40.2	-174.3	-169.6	0	0	0	0	112.8	M539 G540	V537-M539 PolarHBondContact O-N 2.67Å; V537-G540 PolarHBondContact O-N 3.3Å
538	W	92.2	Very high	89.7	Confident	37 Å²	37	44.5 Å²	44.5	14%	0.14	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-67.5	-16.7	-176.3	64.1	-99.8	0	0	0	113.7	L181 T423 L426 L427 F437 I489 P536	L181-W538 HydrophobicContact CD2-CZ2 4.48Å; T423-W538 HydrophobicContact CG2-CE3 4.34Å; T423-W538 HydrophobicContact CG2-CZ3 3.99Å; L426-W538 HydrophobicContact CD1-CZ3 3.91Å; L427-W538 HydrophobicContact CD2-CH2 4.2Å; F437-W538 HydrophobicContact CB-CH2 4.05Å; F437-W538 HydrophobicContact CB-CZ2 3.92Å; F437-W538 HydrophobicContact CD2-CH2 4.34Å; F437-W538 AromaticContact CD2-CZ2 3.83Å; F437-W538 HydrophobicContact CD2-CZ2 3.83Å; F437-W538 HydrophobicContact CG-CH2 4.16Å; F437-W538 HydrophobicContact CG-CZ2 4.03Å; I489-W538 HydrophobicContact CD1-CE3 3.7Å; I489-W538 HydrophobicContact CD1-CZ3 4.08Å; P536-W538 VanDerWaalsContact C-N 3.27Å; P536-W538 HydrophobicContact CB-CG 4.34Å; P536-W538 VanDerWaalsContact CB-NE1 3.29Å; P536-W538 PolarHBondContact O-N 2.88Å
539	M	94.4	Very high	90.8	Very high	7 Å²	7	44 Å²	44	3%	0.034	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-78.7	-21.6	179.4	-72.7	-176.5	62.7	0	0	113.5	L181 N420 T423 L427 L535 P536 V537 A541 C542	L181-M539 HydrophobicContact CD1-CE 4.25Å; L181-M539 HydrophobicContact CD1-SD 3.54Å; L181-M539 VanDerWaalsContact CD1-SD 3.54Å; L181-M539 HydrophobicContact CD2-SD 3.98Å; L181-M539 HydrophobicContact CG-CE 4.48Å; L181-M539 HydrophobicContact CG-SD 3.92Å; N420-M539 VanDerWaalsContact CB-O 3.23Å; N420-M539 WeakPolarHBondContact CB-O 3.35Å; T423-M539 HydrophobicContact CG2-CB 4.23Å; T423-M539 HydrophobicContact CG2-CG 4.23Å; L427-M539 HydrophobicContact CD1-CE 3.86Å; L535-M539 HydrophobicContact CD2-CE 4.08Å; L535-M539 HydrophobicContact CD2-SD 4.33Å; P536-M539 HydrophobicContact CG-SD 4.18Å; P536-M539 PolarHBondContact O-N 3.41Å; P536-M539 VanDerWaalsContact O-N 3.1Å; V537-M539 PolarHBondContact O-N 2.67Å; M539-A541 PolarHBondContact O-N 2.86Å; M539-C542 HydrophobicContact CB-CB 4.47Å; M539-C542 HydrophobicContact CE-CB 3.78Å; M539-C542 PolarHBondContact O-N 3.2Å
540	G	93.9	Very high	91.8	Very high	12 Å²	12	39.2 Å²	39.2	12%	0.124	19%	0.191	C	C	.	.	S	Bend	trans	47.3	-129.5	-179.9	0	0	0	0	0	113.2	N523 V537 C542	N523-G540 VanDerWaalsContact OD1-CA 3.26Å; N523-G540 WeakPolarHBondContact OD1-CA 3.44Å; N523-G540 PolarHBondContact OD1-O 3.33Å; V537-G540 PolarHBondContact O-N 3.3Å; G540-C542 PolarHBondContact O-N 3.12Å
541	A	96	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-84.7	85.6	170.7	0	0	0	0	0	108.7	N418 Q419 N420 N520 N523 M539	N418-A541 HydrophobicContact CB-CB 4.36Å; N418-A541 VanDerWaalsContact CB-O 3.26Å; N418-A541 WeakPolarHBondContact CB-O 3.43Å; Q419-A541 HydrophobicContact CB-CB 4.2Å; N420-A541 CarbonylContact C-O 3.52Å; N420-A541 WeakPolarHBondContact CA-O 3.45Å; N420-A541 WeakPolarHBondContact CB-O 3.45Å; N420-A541 PolarHBondContact N-O 3.36Å; N420-A541 PolarHBondContact OD1-N 3.49Å; N420-A541 VanDerWaalsContact OD1-N 3.12Å; N520-A541 WeakPolarHBondContact O-CB 3.45Å; N523-A541 PolarHBondContact OD1-N 3.23Å; N523-A541 VanDerWaalsContact OD1-N 3.1Å; M539-A541 PolarHBondContact O-N 2.86Å
542	C	95.4	Very high	93.7	Very high	5 Å²	5	27 Å²	27	3%	0.034	14%	0.135	C	C	.	.			trans	-62.1	169.2	-177.7	72.7	0	0	0	0	114.3	N418 L535 M539 G540 E544 C545	N418-C542 VanDerWaalsContact CB-O 3.22Å; N418-C542 WeakPolarHBondContact CB-O 3.44Å; N418-C542 PolarHBondContact ND2-O 2.91Å; N418-C542 VanDerWaalsContact ND2-O 3.15Å; L535-C542 HydrophobicContact CD1-CB 4.16Å; L535-C542 VanDerWaalsContact CD1-SG 3.54Å; M539-C542 HydrophobicContact CB-CB 4.47Å; M539-C542 HydrophobicContact CE-CB 3.78Å; M539-C542 PolarHBondContact O-N 3.2Å; G540-C542 PolarHBondContact O-N 3.12Å; C542-E544 VanDerWaalsContact C-N 3.32Å; C542-E544 PolarHBondContact O-N 3.03Å; C542-C545 VanDerWaalsContact CA-SG 3.59Å; C542-C545 HydrophobicContact CB-CB 4.29Å; C542-C545 WeakPolarHBondContact CB-SG 3.44Å; C542-C545 PolarHBondContact N-SG 3.11Å; C542-C545 VanDerWaalsContact O-CB 3.26Å; C542-C545 WeakPolarHBondContact O-CB 3.27Å; C542-C545 PolarHBondContact O-N 3.38Å; C542-C545 VanDerWaalsContact O-N 3.13Å; C542-C545 VanDerWaalsContact SG-CA 3.56Å; C542-C545 WeakPolarHBondContact SG-CB 3.11Å; C542-C545 PolarHBondContact SG-N 3.28Å; C542-C545 VanDerWaalsContact SG-N 3.37Å; C542-C545 CovalentContact SG-SG 2.07Å; C542-C545 PolarHBondContact SG-SG 3.05Å
543	H	96.3	Very high	94.5	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.037	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.4	-175.6	-171.4	49.3	0	0	0	115.6	H298 S325 N418 D421 E424 Y497	H298-H543 AromaticContact CE1-CD2 3.48Å; H298-H543 PolarHBondContact CE1-CD2 3.44Å; H298-H543 VanDerWaalsContact CE1-CD2 3.48Å; H298-H543 AromaticContact CE1-CE1 3.89Å; H298-H543 AromaticContact CE1-NE2 3.22Å; H298-H543 PolarHBondContact CE1-NE2 3.22Å; H298-H543 AromaticContact NE2-CD2 3.75Å; H298-H543 AromaticContact NE2-CE1 3.7Å; H298-H543 AromaticContact NE2-NE2 3.49Å; H298-H543 PolarHBondContact NE2-NE2 3.37Å; H298-H543 PolarHBondContact NE2-O 3.33Å; S325-H543 VanDerWaalsContact CB-CE1 3.44Å; S325-H543 WeakPolarHBondContact CB-CE1 3.31Å; S325-H543 PolarHBondContact O-CE1 3.08Å; N418-H543 PolarHBondContact ND2-O 3.11Å; D421-H543 WeakPolarHBondContact OD1-CA 3.28Å; D421-H543 IonicContact OD1-CE1 3.12Å; D421-H543 IonicContact OD1-CG 3.36Å; D421-H543 IonicContact OD1-ND1 3.64Å; D421-H543 PolarHBondContact OD1-ND1 2.97Å; E424-H543 HydrophobicContact CB-CB 3.89Å; E424-H543 IonicContact OE1-CD2 2.76Å; E424-H543 IonicContact OE2-CD2 3.82Å; E424-H543 PolarHBondContact OE2-CD2 2.64Å; E424-H543 IonicContact OE2-CE1 3.02Å; E424-H543 IonicContact OE2-CG 2.71Å; E424-H543 IonicContact OE2-NE2 3.13Å; E424-H543 PolarHBondContact OE2-NE2 3.17Å; Y497-H543 AromaticContact CD1-CE1 3.94Å; Y497-H543 AromaticContact CE1-CE1 3.26Å; Y497-H543 WeakPolarHBondContact CE1-CE1 3.49Å; Y497-H543 AromaticContact CE1-ND1 3.75Å; Y497-H543 AromaticContact CZ-CE1 3.81Å; Y497-H543 AromaticContact CZ-ND1 3.97Å
544	E	95.3	Very high	95.1	Very high	55 Å²	55	15.6 Å²	15.6	26%	0.257	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.5	-178.7	-60.9	-178.2	153.2	0	0	112.8	W232 C542 D546 L547 F548	W232-E544 HydrophobicContact CH2-CB 4.03Å; W232-E544 HydrophobicContact CH2-CG 4.37Å; W232-E544 HydrophobicContact CZ2-CB 4.48Å; W232-E544 HydrophobicContact CZ2-CG 4.33Å; C542-E544 VanDerWaalsContact C-N 3.32Å; C542-E544 PolarHBondContact O-N 3.03Å; E544-D546 PolarHBondContact O-N 3.26Å; E544-L547 WeakPolarHBondContact O-CB 3.38Å; E544-L547 PolarHBondContact O-N 2.9Å; E544-F548 HydrophobicContact CB-CE2 4.23Å; E544-F548 WeakPolarHBondContact O-CD2 3.27Å; E544-F548 PolarHBondContact O-N 2.92Å
545	C	96.8	Very high	95.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-36.5	-167.9	-86.6	0	0	0	0	113.2	F524 L535 C542 L547 F548 L549	F524-C545 HydrophobicContact CD2-CB 4.39Å; F524-C545 HydrophobicContact CE2-CB 3.86Å; F524-C545 VanDerWaalsContact CE2-O 3.25Å; F524-C545 WeakPolarHBondContact CE2-O 3.39Å; F524-C545 WeakPolarHBondContact CZ-O 3.45Å; L535-C545 VanDerWaalsContact CD1-SG 3.53Å; C542-C545 VanDerWaalsContact CA-SG 3.59Å; C542-C545 HydrophobicContact CB-CB 4.29Å; C542-C545 WeakPolarHBondContact CB-SG 3.44Å; C542-C545 PolarHBondContact N-SG 3.11Å; C542-C545 VanDerWaalsContact O-CB 3.26Å; C542-C545 WeakPolarHBondContact O-CB 3.27Å; C542-C545 PolarHBondContact O-N 3.38Å; C542-C545 VanDerWaalsContact O-N 3.13Å; C542-C545 VanDerWaalsContact SG-CA 3.56Å; C542-C545 WeakPolarHBondContact SG-CB 3.11Å; C542-C545 PolarHBondContact SG-N 3.28Å; C542-C545 VanDerWaalsContact SG-N 3.37Å; C542-C545 CovalentContact SG-SG 2.07Å; C542-C545 PolarHBondContact SG-SG 3.05Å; C545-L547 VanDerWaalsContact C-N 3.34Å; C545-F548 PolarHBondContact O-N 2.99Å; C545-L549 PolarHBondContact O-N 2.73Å
546	D	97.7	Very high	95.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.7	-28.5	171.9	56.9	-16.2	0	0	0	113.4	M324 N418 Y518 E544 L549 L550 F581	M324-D546 HydrophobicContact CE-CB 3.82Å; M324-D546 VanDerWaalsContact CE-CG 3.42Å; M324-D546 WeakPolarHBondContact CE-OD2 3.44Å; N418-D546 VanDerWaalsContact ND2-CG 3.3Å; N418-D546 PolarHBondContact ND2-OD1 3.18Å; Y518-D546 PolarHBondContact OH-OD2 3.47Å; E544-D546 PolarHBondContact O-N 3.26Å; D546-L549 WeakPolarHBondContact O-CB 3.38Å; D546-L549 PolarHBondContact O-N 3.12Å; D546-L550 WeakPolarHBondContact O-CB 3.27Å; D546-L550 PolarHBondContact O-N 3.25Å; D546-F581 HydrophobicContact CB-CE1 4.31Å; D546-F581 HydrophobicContact CB-CE2 4.35Å; D546-F581 HydrophobicContact CB-CZ 3.76Å
547	L	98.1	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.6	-40.5	173.7	-67.8	-178.6	0	0	0	112.6	F218 W232 H298 M324 E544 C545 L549 L550 F551	F218-L547 HydrophobicContact CE2-CD2 3.73Å; F218-L547 HydrophobicContact CZ-CD1 4.34Å; F218-L547 HydrophobicContact CZ-CD2 3.75Å; W232-L547 HydrophobicContact CD2-CB 4.44Å; W232-L547 HydrophobicContact CD2-CD1 3.97Å; W232-L547 HydrophobicContact CE3-CB 3.82Å; W232-L547 HydrophobicContact CE3-CD1 4.15Å; W232-L547 HydrophobicContact CH2-CB 3.68Å; W232-L547 HydrophobicContact CH2-CD1 3.58Å; W232-L547 HydrophobicContact CH2-CG 4.32Å; W232-L547 HydrophobicContact CZ2-CB 4.3Å; W232-L547 HydrophobicContact CZ2-CD1 3.33Å; W232-L547 HydrophobicContact CZ2-CG 4.48Å; W232-L547 HydrophobicContact CZ3-CB 3.41Å; W232-L547 VanDerWaalsContact CZ3-CB 3.41Å; W232-L547 HydrophobicContact CZ3-CD1 3.98Å; W232-L547 HydrophobicContact CZ3-CG 4.36Å; H298-L547 HydrophobicContact CB-CD1 3.83Å; H298-L547 HydrophobicContact CB-CD2 3.92Å; H298-L547 HydrophobicContact CB-CG 4.19Å; H298-L547 VanDerWaalsContact CG-CD1 3.46Å; M324-L547 HydrophobicContact CE-CD2 3.8Å; M324-L547 HydrophobicContact CE-CG 4.44Å; M324-L547 HydrophobicContact SD-CD2 4.17Å; E544-L547 WeakPolarHBondContact O-CB 3.38Å; E544-L547 PolarHBondContact O-N 2.9Å; C545-L547 VanDerWaalsContact C-N 3.34Å; L547-L549 PolarHBondContact O-N 2.98Å; L547-L550 HydrophobicContact CD2-CD2 4.49Å; L547-L550 PolarHBondContact O-N 2.93Å; L547-F551 HydrophobicContact CD2-CD2 4.36Å; L547-F551 HydrophobicContact CD2-CE2 4.1Å; L547-F551 PolarHBondContact O-N 3.31Å
548	F	97.5	Very high	96.2	Very high	8 Å²	8	16.2 Å²	16.2	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-59.3	-34.5	173.2	-63.1	-55	0	0	0	111.7	W232 F524 F534 E544 C545 G552 F553 P554 L565	W232-F548 HydrophobicContact CH2-CE1 4.23Å; W232-F548 HydrophobicContact CH2-CZ 4.49Å; W232-F548 HydrophobicContact CZ3-CD1 4.17Å; W232-F548 HydrophobicContact CZ3-CE1 4.12Å; F524-F548 HydrophobicContact CE1-CB 4.39Å; F524-F548 HydrophobicContact CE2-CB 4.25Å; F524-F548 HydrophobicContact CE2-CD2 4.37Å; F524-F548 HydrophobicContact CZ-CB 3.71Å; F534-F548 AromaticContact CE1-CD2 3.8Å; F534-F548 HydrophobicContact CE1-CD2 3.8Å; F534-F548 AromaticContact CE1-CE2 3.91Å; F534-F548 HydrophobicContact CE1-CE2 3.91Å; F534-F548 HydrophobicContact CE1-CG 4.39Å; F534-F548 AromaticContact CZ-CD2 3.94Å; F534-F548 HydrophobicContact CZ-CD2 3.94Å; F534-F548 HydrophobicContact CZ-CE1 4.3Å; F534-F548 AromaticContact CZ-CE2 3.65Å; F534-F548 HydrophobicContact CZ-CE2 3.65Å; F534-F548 HydrophobicContact CZ-CG 4.42Å; F534-F548 AromaticContact CZ-CZ 3.86Å; F534-F548 HydrophobicContact CZ-CZ 3.86Å; E544-F548 HydrophobicContact CB-CE2 4.23Å; E544-F548 WeakPolarHBondContact O-CD2 3.27Å; E544-F548 PolarHBondContact O-N 2.92Å; C545-F548 PolarHBondContact O-N 2.99Å; F548-G552 PolarHBondContact O-N 3.15Å; F548-F553 HydrophobicContact CB-CB 4.32Å; F548-F553 HydrophobicContact CB-CG 4.48Å; F548-F553 HydrophobicContact CD1-CB 4.31Å; F548-F553 AromaticContact CD1-CD1 3.64Å; F548-F553 HydrophobicContact CD1-CD1 3.64Å; F548-F553 HydrophobicContact CD1-CD2 4.1Å; F548-F553 AromaticContact CD1-CE1 3.87Å; F548-F553 HydrophobicContact CD1-CE1 3.87Å; F548-F553 HydrophobicContact CD1-CE2 4.31Å; F548-F553 AromaticContact CD1-CG 3.76Å; F548-F553 HydrophobicContact CD1-CG 3.76Å; F548-F553 HydrophobicContact CD1-CZ 4.2Å; F548-F553 HydrophobicContact CE1-CD1 4.1Å; F548-F553 AromaticContact CE1-CE1 3.97Å; F548-F553 HydrophobicContact CE1-CE1 3.97Å; F548-F553 HydrophobicContact CE1-CZ 4.4Å; F548-F553 PolarHBondContact O-N 3.11Å; F548-F553 VanDerWaalsContact O-N 3.11Å; F548-P554 WeakPolarHBondContact O-CD 3.34Å; F548-L565 HydrophobicContact CE1-CD1 4.03Å
549	L	98	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70.2	-48.7	173.5	-60.4	179	0	0	0	111.8	Y522 F524 C545 D546 L547 G552 M577 S578 F581	Y522-L549 HydrophobicContact CD1-CD1 4.43Å; Y522-L549 HydrophobicContact CD1-CD2 4.29Å; Y522-L549 HydrophobicContact CE1-CD2 4.41Å; F524-L549 HydrophobicContact CE1-CD2 3.59Å; F524-L549 HydrophobicContact CE1-CG 4.35Å; F524-L549 HydrophobicContact CZ-CD2 3.44Å; F524-L549 VanDerWaalsContact CZ-CD2 3.44Å; F524-L549 HydrophobicContact CZ-CG 3.69Å; C545-L549 PolarHBondContact O-N 2.73Å; D546-L549 WeakPolarHBondContact O-CB 3.38Å; D546-L549 PolarHBondContact O-N 3.12Å; L547-L549 PolarHBondContact O-N 2.98Å; L549-G552 PolarHBondContact O-N 2.68Å; L549-M577 HydrophobicContact CD2-CB 4Å; L549-S578 PolarHBondContact O-OG 3.47Å; L549-F581 HydrophobicContact CB-CB 3.79Å; L549-F581 HydrophobicContact CB-CD1 3.96Å; L549-F581 HydrophobicContact CB-CD2 4.38Å; L549-F581 HydrophobicContact CB-CG 3.79Å; L549-F581 HydrophobicContact CD1-CB 4.43Å; L549-F581 HydrophobicContact CD1-CD2 4.03Å; L549-F581 HydrophobicContact CD1-CG 4.25Å
550	L	98.5	Very high	96.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-43	-176.3	179.3	59.1	0	0	0	113.2	L237 V296 M324 D546 L547 G552 F581 M582 W585	L237-L550 HydrophobicContact CD1-CD1 4.29Å; L237-L550 HydrophobicContact CD2-CD1 4.05Å; L237-L550 HydrophobicContact CD2-CG 4.23Å; V296-L550 HydrophobicContact CG1-CD2 4.25Å; M324-L550 HydrophobicContact CE-CD2 4Å; M324-L550 HydrophobicContact SD-CD2 3.68Å; D546-L550 WeakPolarHBondContact O-CB 3.27Å; D546-L550 PolarHBondContact O-N 3.25Å; L547-L550 HydrophobicContact CD2-CD2 4.49Å; L547-L550 PolarHBondContact O-N 2.93Å; L550-G552 VanDerWaalsContact C-N 3.27Å; L550-G552 PolarHBondContact O-N 3.4Å; L550-F581 HydrophobicContact CB-CD1 3.93Å; L550-F581 HydrophobicContact CB-CE1 3.93Å; L550-F581 HydrophobicContact CD1-CD1 4.41Å; L550-M582 VanDerWaalsContact O-CG 3.24Å; L550-M582 WeakPolarHBondContact O-CG 3.33Å; L550-W585 HydrophobicContact CD1-CB 3.67Å; L550-W585 HydrophobicContact CD1-CD2 4.17Å; L550-W585 HydrophobicContact CD1-CG 3.51Å
551	F	98.4	Very high	96.1	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.3	-178.6	-78.8	-83.1	0	0	0	113.4	F218 W232 V244 T246 L547 F553	F218-F551 HydrophobicContact CB-CZ 4.19Å; F218-F551 HydrophobicContact CD1-CE2 4.19Å; F218-F551 AromaticContact CD1-CZ 3.69Å; F218-F551 HydrophobicContact CD1-CZ 3.69Å; F218-F551 HydrophobicContact CD2-CE2 4.06Å; F218-F551 AromaticContact CD2-CZ 3.94Å; F218-F551 HydrophobicContact CD2-CZ 3.94Å; F218-F551 HydrophobicContact CE1-CE2 4.03Å; F218-F551 AromaticContact CE1-CZ 3.98Å; F218-F551 HydrophobicContact CE1-CZ 3.98Å; F218-F551 AromaticContact CE2-CE2 3.91Å; F218-F551 HydrophobicContact CE2-CE2 3.91Å; F218-F551 HydrophobicContact CE2-CZ 4.22Å; F218-F551 HydrophobicContact CG-CE2 4.2Å; F218-F551 AromaticContact CG-CZ 3.66Å; F218-F551 HydrophobicContact CG-CZ 3.66Å; F218-F551 AromaticContact CZ-CE2 3.89Å; F218-F551 HydrophobicContact CZ-CE2 3.89Å; F218-F551 HydrophobicContact CZ-CZ 4.23Å; W232-F551 HydrophobicContact CB-CD1 4.14Å; W232-F551 HydrophobicContact CB-CD2 4Å; W232-F551 HydrophobicContact CB-CE1 3.84Å; W232-F551 HydrophobicContact CB-CE2 3.7Å; W232-F551 HydrophobicContact CB-CG 4.22Å; W232-F551 HydrophobicContact CB-CZ 3.61Å; W232-F551 HydrophobicContact CD2-CD2 4.41Å; W232-F551 HydrophobicContact CD2-CE2 4.49Å; W232-F551 AromaticContact CE3-CD2 3.95Å; W232-F551 HydrophobicContact CE3-CD2 3.95Å; W232-F551 HydrophobicContact CE3-CE2 4.46Å; W232-F551 HydrophobicContact CE3-CG 4.46Å; W232-F551 HydrophobicContact CG-CD2 4.46Å; W232-F551 HydrophobicContact CG-CE2 4.2Å; W232-F551 WeakPolarHBondContact O-CD1 3.37Å; W232-F551 WeakPolarHBondContact O-CE1 3.39Å; V244-F551 HydrophobicContact CG1-CE1 4.36Å; T246-F551 HydrophobicContact CG2-CE1 4.31Å; L547-F551 HydrophobicContact CD2-CD2 4.36Å; L547-F551 HydrophobicContact CD2-CE2 4.1Å; L547-F551 PolarHBondContact O-N 3.31Å; F551-F553 HydrophobicContact CB-CD2 3.8Å; F551-F553 HydrophobicContact CB-CE2 3.62Å
552	G	97.7	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	31.2	172.5	0	0	0	0	0	114.3	F548 L549 L550 P554 W555 M556 S578	F548-G552 PolarHBondContact O-N 3.15Å; L549-G552 PolarHBondContact O-N 2.68Å; L550-G552 VanDerWaalsContact C-N 3.27Å; L550-G552 PolarHBondContact O-N 3.4Å; G552-P554 VanDerWaalsContact C-CD 3.46Å; G552-P554 VanDerWaalsContact C-N 3.31Å; G552-W555 CarbonylContact O-C 3.57Å; G552-W555 WeakPolarHBondContact O-CA 3.34Å; G552-W555 WeakPolarHBondContact O-CB 3.25Å; G552-W555 PolarHBondContact O-N 3.1Å; G552-M556 PolarHBondContact O-N 3.49Å; G552-M556 VanDerWaalsContact O-N 3.12Å; G552-S578 WeakPolarHBondContact CA-OG 3.23Å
553	F	97.1	Very high	95.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-53.5	-40.6	-179.9	-82.5	-120	0	0	0	113.2	W232 F548 F551 W555 M556 L561 P562 L565 W570	W232-F553 AromaticContact CE3-CE2 3.93Å; W232-F553 HydrophobicContact CE3-CE2 3.93Å; W232-F553 HydrophobicContact CE3-CZ 4.04Å; W232-F553 HydrophobicContact CZ3-CE2 4.06Å; W232-F553 HydrophobicContact CZ3-CZ 4.02Å; F548-F553 HydrophobicContact CB-CB 4.32Å; F548-F553 HydrophobicContact CB-CG 4.48Å; F548-F553 HydrophobicContact CD1-CB 4.31Å; F548-F553 AromaticContact CD1-CD1 3.64Å; F548-F553 HydrophobicContact CD1-CD1 3.64Å; F548-F553 HydrophobicContact CD1-CD2 4.1Å; F548-F553 AromaticContact CD1-CE1 3.87Å; F548-F553 HydrophobicContact CD1-CE1 3.87Å; F548-F553 HydrophobicContact CD1-CE2 4.31Å; F548-F553 AromaticContact CD1-CG 3.76Å; F548-F553 HydrophobicContact CD1-CG 3.76Å; F548-F553 HydrophobicContact CD1-CZ 4.2Å; F548-F553 HydrophobicContact CE1-CD1 4.1Å; F548-F553 AromaticContact CE1-CE1 3.97Å; F548-F553 HydrophobicContact CE1-CE1 3.97Å; F548-F553 HydrophobicContact CE1-CZ 4.4Å; F548-F553 PolarHBondContact O-N 3.11Å; F548-F553 VanDerWaalsContact O-N 3.11Å; F551-F553 HydrophobicContact CB-CD2 3.8Å; F551-F553 HydrophobicContact CB-CE2 3.62Å; F553-W555 PolarHBondContact O-N 2.94Å; F553-W555 VanDerWaalsContact O-N 3.1Å; F553-M556 HydrophobicContact CD2-CE 4.19Å; F553-M556 HydrophobicContact CE2-CE 4.32Å; F553-M556 WeakPolarHBondContact O-CB 3.27Å; F553-M556 PolarHBondContact O-N 2.9Å; F553-M556 VanDerWaalsContact O-N 3.08Å; F553-L561 HydrophobicContact CB-CD2 4.39Å; F553-L561 HydrophobicContact CD1-CD2 3.55Å; F553-L561 HydrophobicContact CE1-CD2 4.16Å; F553-L561 HydrophobicContact CG-CD2 4.18Å; F553-P562 HydrophobicContact CE1-CG 4.43Å; F553-L565 HydrophobicContact CD1-CD1 3.63Å; F553-L565 HydrophobicContact CE1-CD1 3.56Å; F553-W570 HydrophobicContact CB-CH2 4.33Å; F553-W570 HydrophobicContact CB-CZ2 4.03Å
554	P	95.7	Very high	95.2	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.039	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.9	174.4	-28.6	37.6	0	0	0	115.8	F524 F548 G552 W570 D574 K575	F524-P554 HydrophobicContact CE1-CG 4.43Å; F548-P554 WeakPolarHBondContact O-CD 3.34Å; G552-P554 VanDerWaalsContact C-CD 3.46Å; G552-P554 VanDerWaalsContact C-N 3.31Å; P554-W570 HydrophobicContact CB-CB 4.02Å; P554-W570 HydrophobicContact CB-CD2 4.16Å; P554-W570 HydrophobicContact CB-CE3 4.26Å; P554-W570 HydrophobicContact CB-CG 4.08Å; P554-W570 HydrophobicContact CG-CD2 4.1Å; P554-W570 HydrophobicContact CG-CE3 3.8Å; P554-W570 HydrophobicContact CG-CZ3 4.22Å; P554-D574 HydrophobicContact CB-CB 4.3Å; P554-D574 HydrophobicContact CG-CB 4.13Å; P554-K575 HydrophobicContact CB-CB 4.47Å; P554-K575 HydrophobicContact CB-CG 3.8Å; P554-K575 VanDerWaalsContact O-CE 3.24Å; P554-K575 WeakPolarHBondContact O-CE 3.48Å
555	W	96.4	Very high	95	Very high	30 Å²	30	30.4 Å²	30.4	11%	0.114	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-104.1	-6	179.9	-74.6	100.6	0	0	0	113.1	G97 L98 K99 W100 I236 G552 F553 K575 E579	G97-W555 WeakPolarHBondContact O-CZ3 3.4Å; L98-W555 HydrophobicContact CD2-CB 4.34Å; L98-W555 HydrophobicContact CD2-CD2 4.24Å; L98-W555 HydrophobicContact CD2-CE3 3.73Å; L98-W555 HydrophobicContact CD2-CZ3 4.46Å; K99-W555 HydrophobicContact CD-CH2 4.46Å; K99-W555 HydrophobicContact CG-CH2 4.08Å; W100-W555 AromaticContact CH2-CD1 3.94Å; W100-W555 AromaticContact CH2-CD2 3.91Å; W100-W555 HydrophobicContact CH2-CD2 3.91Å; W100-W555 AromaticContact CH2-CE2 3.98Å; W100-W555 AromaticContact CH2-CG 3.93Å; W100-W555 HydrophobicContact CH2-CG 3.93Å; W100-W555 AromaticContact CH2-NE1 3.95Å; W100-W555 HydrophobicContact CZ3-CD2 4.27Å; W100-W555 AromaticContact CZ3-CE2 3.99Å; W100-W555 HydrophobicContact CZ3-CZ2 4.28Å; I236-W555 HydrophobicContact CD1-CB 4.32Å; I236-W555 WeakPolarHBondContact CD1-O 3.45Å; I236-W555 HydrophobicContact CG1-CB 4.27Å; I236-W555 HydrophobicContact CG2-CB 3.82Å; G552-W555 CarbonylContact O-C 3.57Å; G552-W555 WeakPolarHBondContact O-CA 3.34Å; G552-W555 WeakPolarHBondContact O-CB 3.25Å; G552-W555 PolarHBondContact O-N 3.1Å; F553-W555 PolarHBondContact O-N 2.94Å; F553-W555 VanDerWaalsContact O-N 3.1Å; W555-K575 HydrophobicContact CD2-CD 4.47Å; W555-K575 HydrophobicContact CD2-CG 4.39Å; W555-K575 HydrophobicContact CH2-CD 4.11Å; W555-K575 HydrophobicContact CZ2-CB 3.65Å; W555-K575 HydrophobicContact CZ2-CD 3.91Å; W555-K575 HydrophobicContact CZ2-CG 4.06Å; W555-K575 HydrophobicContact CZ3-CD 4.43Å; W555-K575 PolarHBondContact NE1-O 3.31Å; W555-E579 HydrophobicContact CZ2-CG 4.24Å; W555-E579 WeakPolarHBondContact CZ2-OE1 3.26Å
556	M	95.9	Very high	94.8	Very high	12 Å²	12	35 Å²	35	6%	0.059	16%	0.157	C	C	.	.	S	Bend	trans	-77.7	132.4	-171.8	-166.7	169.7	-63.4	0	0	111.2	P233 I236 G552 F553 L560 L561	P233-M556 HydrophobicContact CG-CE 3.81Å; P233-M556 HydrophobicContact CG-SD 3.9Å; I236-M556 HydrophobicContact CG1-CB 4.16Å; I236-M556 HydrophobicContact CG1-CE 4.44Å; I236-M556 HydrophobicContact CG1-CG 4.49Å; G552-M556 PolarHBondContact O-N 3.49Å; G552-M556 VanDerWaalsContact O-N 3.12Å; F553-M556 HydrophobicContact CD2-CE 4.19Å; F553-M556 HydrophobicContact CE2-CE 4.32Å; F553-M556 WeakPolarHBondContact O-CB 3.27Å; F553-M556 PolarHBondContact O-N 2.9Å; F553-M556 VanDerWaalsContact O-N 3.08Å; M556-L560 HydrophobicContact CG-CB 3.75Å; M556-L560 HydrophobicContact SD-CB 3.91Å; M556-L561 HydrophobicContact CB-CD2 3.91Å; M556-L561 HydrophobicContact CB-CG 4.12Å; M556-L561 HydrophobicContact CG-CD2 4.12Å; M556-L561 HydrophobicContact CG-CG 4.15Å; M556-L561 HydrophobicContact SD-CD2 3.83Å; M556-L561 HydrophobicContact SD-CG 4.28Å
557	P	95.1	Very high	94.3	Very high	30 Å²	30	41.7 Å²	41.7	20%	0.195	19%	0.192	C	C	.	.			trans	-55	145.2	169.4	-25.9	33.7	0	0	0	112	M95 E559 L560 L561	M95-P557 HydrophobicContact SD-CG 4.13Å; P557-E559 VanDerWaalsContact CB-OE2 3.32Å; P557-E559 WeakPolarHBondContact CB-OE2 3.24Å; P557-E559 PolarHBondContact O-N 3.38Å; P557-E559 VanDerWaalsContact O-N 3.12Å; P557-L560 HydrophobicContact CG-CD1 4.38Å; P557-L560 PolarHBondContact O-N 2.86Å; P557-L561 PolarHBondContact O-N 3.13Å
558	K	93.7	Very high	93.9	Very high	127 Å²	127	43.1 Å²	43.1	55%	0.552	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.1	-174.8	-69.5	-173.1	174.4	-168.7	0	113.2	L560 L561 R566	K558-L560 VanDerWaalsContact C-N 3.26Å; K558-L560 PolarHBondContact O-N 2.91Å; K558-L561 PolarHBondContact O-N 3.14Å; K558-R566 WeakPolarHBondContact CE-O 3.14Å; K558-R566 WeakPolarHBondContact O-CD 3.21Å; K558-R566 WeakPolarHBondContact O-CG 3.46Å; K558-R566 PolarHBondContact O-NE 2.84Å
559	E	92	Very high	93.6	Very high	143 Å²	143	48.1 Å²	48.1	67%	0.668	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.4	-178.6	-57.6	71	-151.5	0	0	112	P557	P557-E559 VanDerWaalsContact CB-OE2 3.32Å; P557-E559 WeakPolarHBondContact CB-OE2 3.24Å; P557-E559 PolarHBondContact O-N 3.38Å; P557-E559 VanDerWaalsContact O-N 3.12Å
560	L	93.7	Very high	93.3	Very high	50 Å²	50	49.2 Å²	49.2	26%	0.262	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.6	179.2	-60.9	179.6	0	0	0	112.7	M95 H235 M556 P557 K558	M95-L560 HydrophobicContact CE-CD1 3.98Å; M95-L560 HydrophobicContact SD-CD1 4.18Å; H235-L560 HydrophobicContact CB-CD1 4.2Å; M556-L560 HydrophobicContact CG-CB 3.75Å; M556-L560 HydrophobicContact SD-CB 3.91Å; P557-L560 HydrophobicContact CG-CD1 4.38Å; P557-L560 PolarHBondContact O-N 2.86Å; K558-L560 VanDerWaalsContact C-N 3.26Å; K558-L560 PolarHBondContact O-N 2.91Å
561	L	93.8	Very high	93	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-75.9	143.9	176.2	-73.2	172.7	0	0	0	111.4	F553 M556 P557 K558 L565 R566	F553-L561 HydrophobicContact CB-CD2 4.39Å; F553-L561 HydrophobicContact CD1-CD2 3.55Å; F553-L561 HydrophobicContact CE1-CD2 4.16Å; F553-L561 HydrophobicContact CG-CD2 4.18Å; M556-L561 HydrophobicContact CB-CD2 3.91Å; M556-L561 HydrophobicContact CB-CG 4.12Å; M556-L561 HydrophobicContact CG-CD2 4.12Å; M556-L561 HydrophobicContact CG-CG 4.15Å; M556-L561 HydrophobicContact SD-CD2 3.83Å; M556-L561 HydrophobicContact SD-CG 4.28Å; P557-L561 PolarHBondContact O-N 3.13Å; K558-L561 PolarHBondContact O-N 3.14Å; L561-L565 HydrophobicContact CB-CB 4.36Å; L561-L565 HydrophobicContact CD2-CB 4.4Å; L561-R566 HydrophobicContact CB-CG 4.19Å; L561-R566 PolarHBondContact O-NE 2.88Å
562	P	90.8	Very high	92.7	Very high	23 Å²	23	56 Å²	56	15%	0.149	26%	0.262	C	S	.	.			trans	-52.3	149.5	164.9	-23.3	32.5	0	0	0	111.3	F553 H564 L565 R566	F553-P562 HydrophobicContact CE1-CG 4.43Å; P562-H564 VanDerWaalsContact C-N 3.34Å; P562-H564 WeakPolarHBondContact CB-CE1 3.29Å; P562-H564 PolarHBondContact O-N 3.14Å; P562-L565 HydrophobicContact CB-CG 4.41Å; P562-L565 HydrophobicContact CG-CD1 4.17Å; P562-L565 WeakPolarHBondContact O-CA 3.49Å; P562-L565 PolarHBondContact O-N 2.8Å; P562-R566 WeakPolarHBondContact O-CG 3.43Å; P562-R566 PolarHBondContact O-N 3.15Å
563	R	89.7	Confident	92.4	Very high	143 Å²	143	59.3 Å²	59.3	54%	0.54	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-52.7	-48.3	-173.9	-65.9	174.3	-176.9	-175.1	2.1	112.3	E188 L565 R566	E188-R563 HydrophobicContact CG-CG 4.48Å; E188-R563 WeakPolarHBondContact OE1-CA 3.4Å; E188-R563 WeakPolarHBondContact OE1-CB 2.97Å; E188-R563 VanDerWaalsContact OE1-CG 3.27Å; E188-R563 WeakPolarHBondContact OE1-CG 3.3Å; E188-R563 PolarHBondContact OE1-N 3.46Å; R563-L565 PolarHBondContact O-N 3.13Å; R563-L565 VanDerWaalsContact O-N 3.14Å; R563-R566 PolarHBondContact O-N 3.36Å
564	H	87.5	Confident	92.3	Very high	54 Å²	54	59.2 Å²	59.2	25%	0.25	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.2	-22	176.9	51.3	-79.9	0	0	0	114	W182 E185 E188 P562	W182-H564 HydrophobicContact CB-CB 4.26Å; W182-H564 HydrophobicContact CD2-CB 3.93Å; W182-H564 AromaticContact CD2-CD2 3.36Å; W182-H564 AromaticContact CD2-CG 3.83Å; W182-H564 AromaticContact CE2-CD2 3.67Å; W182-H564 AromaticContact CE3-CD2 3.32Å; W182-H564 AromaticContact CE3-NE2 3.73Å; W182-H564 HydrophobicContact CG-CB 3.67Å; W182-H564 AromaticContact CG-CD2 3.96Å; W182-H564 AromaticContact CG-CG 3.93Å; W182-H564 AromaticContact CH2-CD2 3.93Å; W182-H564 AromaticContact CZ2-CD2 3.96Å; W182-H564 AromaticContact CZ3-CD2 3.61Å; W182-H564 AromaticContact CZ3-NE2 3.91Å; E185-H564 WeakPolarHBondContact OE1-CB 3.4Å; E185-H564 WeakPolarHBondContact OE2-CB 3.43Å; E185-H564 PolarHBondContact OE2-N 3.33Å; E185-H564 IonicContact OE2-ND1 3.94Å; E188-H564 IonicContact OE1-ND1 3.53Å; P562-H564 VanDerWaalsContact C-N 3.34Å; P562-H564 WeakPolarHBondContact CB-CE1 3.29Å; P562-H564 PolarHBondContact O-N 3.14Å
565	L	91.4	Very high	92.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-100.8	-9.6	-177.6	-56.5	-172.9	0	0	0	114.3	W182 F534 F548 F553 L561 P562 R563 N567 V568	W182-L565 HydrophobicContact CH2-CD2 3.86Å; W182-L565 HydrophobicContact CZ2-CD2 3.86Å; F534-L565 HydrophobicContact CD2-CD2 4.29Å; F534-L565 HydrophobicContact CE2-CD2 3.43Å; F534-L565 VanDerWaalsContact CE2-CD2 3.43Å; F534-L565 HydrophobicContact CZ-CD2 4.2Å; F548-L565 HydrophobicContact CE1-CD1 4.03Å; F553-L565 HydrophobicContact CD1-CD1 3.63Å; F553-L565 HydrophobicContact CE1-CD1 3.56Å; L561-L565 HydrophobicContact CB-CB 4.36Å; L561-L565 HydrophobicContact CD2-CB 4.4Å; P562-L565 HydrophobicContact CB-CG 4.41Å; P562-L565 HydrophobicContact CG-CD1 4.17Å; P562-L565 WeakPolarHBondContact O-CA 3.49Å; P562-L565 PolarHBondContact O-N 2.8Å; R563-L565 PolarHBondContact O-N 3.13Å; R563-L565 VanDerWaalsContact O-N 3.14Å; L565-N567 PolarHBondContact O-N 3.23Å; L565-V568 HydrophobicContact CB-CG2 4.5Å; L565-V568 HydrophobicContact CD2-CG2 4.09Å; L565-V568 WeakPolarHBondContact O-CB 3.32Å; L565-V568 PolarHBondContact O-N 2.71Å; L565-V568 VanDerWaalsContact O-N 3.15Å
566	R	91.5	Very high	92.2	Very high	97 Å²	97	63.3 Å²	63.3	37%	0.366	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26	-174.8	-61.5	-171.8	179.2	176.2	-4.8	114.2	K558 L561 P562 R563	K558-R566 WeakPolarHBondContact CE-O 3.14Å; K558-R566 WeakPolarHBondContact O-CD 3.21Å; K558-R566 WeakPolarHBondContact O-CG 3.46Å; K558-R566 PolarHBondContact O-NE 2.84Å; L561-R566 HydrophobicContact CB-CG 4.19Å; L561-R566 PolarHBondContact O-NE 2.88Å; P562-R566 WeakPolarHBondContact O-CG 3.43Å; P562-R566 PolarHBondContact O-N 3.15Å; R563-R566 PolarHBondContact O-N 3.36Å
567	N	88.5	Confident	92.2	Very high	140 Å²	140	63 Å²	63	75%	0.749	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.3	-179.5	-65.8	-29.2	0	0	0	113.1	L565 Y569	L565-N567 PolarHBondContact O-N 3.23Å; N567-Y569 PolarHBondContact O-N 2.69Å
568	V	89.9	Confident	92.3	Very high	31 Å²	31	61.6 Å²	61.6	19%	0.188	29%	0.292	C	S	.	.			trans	-67.3	131.1	178.9	175.1	0	0	0	0	109.9	F534 L565 W570	F534-V568 HydrophobicContact CB-CG1 3.98Å; F534-V568 HydrophobicContact CD2-CB 4.49Å; F534-V568 HydrophobicContact CD2-CG1 3.84Å; F534-V568 HydrophobicContact CD2-CG2 3.81Å; F534-V568 HydrophobicContact CE2-CG2 4.37Å; F534-V568 HydrophobicContact CG-CG1 4.05Å; L565-V568 HydrophobicContact CB-CG2 4.5Å; L565-V568 HydrophobicContact CD2-CG2 4.09Å; L565-V568 WeakPolarHBondContact O-CB 3.32Å; L565-V568 PolarHBondContact O-N 2.71Å; L565-V568 VanDerWaalsContact O-N 3.15Å; V568-W570 HydrophobicContact CB-CZ2 4.37Å; V568-W570 HydrophobicContact CG1-CD2 3.98Å; V568-W570 HydrophobicContact CG1-CE3 4.29Å; V568-W570 HydrophobicContact CG1-CH2 4.22Å; V568-W570 HydrophobicContact CG1-CZ2 3.89Å; V568-W570 HydrophobicContact CG1-CZ3 4.4Å
569	Y	89.8	Confident	92.4	Very high	112 Å²	112	55.7 Å²	55.7	44%	0.439	27%	0.266	S	S	.	.			trans	-88.8	108.5	172.4	-177.7	-92.3	0	0	0	110.3	S525 P528 P529 N567 T571	S525-Y569 PolarHBondContact OG-O 3.02Å; P528-Y569 HydrophobicContact CB-CD1 4.19Å; P529-Y569 HydrophobicContact CG-CE1 3.93Å; N567-Y569 PolarHBondContact O-N 2.69Å; Y569-T571 HydrophobicContact CD1-CG2 4.27Å; Y569-T571 HydrophobicContact CE1-CG2 4.07Å
570	W	91.8	Very high	92.5	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.091	24%	0.238	C	C	.	.			trans	-87.1	122.3	174.1	-56.9	107.9	0	0	0	110.8	F524 F534 F553 P554 V568 D574	F524-W570 HydrophobicContact CD1-CE3 4.18Å; F524-W570 AromaticContact CD1-CZ3 3.61Å; F524-W570 HydrophobicContact CD1-CZ3 3.61Å; F524-W570 HydrophobicContact CE1-CE3 4.49Å; F524-W570 AromaticContact CE1-CZ3 3.85Å; F524-W570 HydrophobicContact CE1-CZ3 3.85Å; F524-W570 HydrophobicContact CG-CZ3 4.36Å; F534-W570 AromaticContact CD1-CH2 3.92Å; F534-W570 HydrophobicContact CD1-CH2 3.92Å; F534-W570 AromaticContact CD1-CZ3 3.87Å; F534-W570 HydrophobicContact CD1-CZ3 3.87Å; F534-W570 HydrophobicContact CD2-CH2 4.35Å; F534-W570 AromaticContact CE1-CH2 3.76Å; F534-W570 HydrophobicContact CE1-CH2 3.76Å; F534-W570 HydrophobicContact CE1-CZ3 4.07Å; F534-W570 HydrophobicContact CE2-CH2 4.24Å; F534-W570 HydrophobicContact CG-CH2 4.23Å; F534-W570 HydrophobicContact CG-CZ3 4.29Å; F534-W570 AromaticContact CZ-CH2 3.93Å; F534-W570 HydrophobicContact CZ-CH2 3.93Å; F553-W570 HydrophobicContact CB-CH2 4.33Å; F553-W570 HydrophobicContact CB-CZ2 4.03Å; P554-W570 HydrophobicContact CB-CB 4.02Å; P554-W570 HydrophobicContact CB-CD2 4.16Å; P554-W570 HydrophobicContact CB-CE3 4.26Å; P554-W570 HydrophobicContact CB-CG 4.08Å; P554-W570 HydrophobicContact CG-CD2 4.1Å; P554-W570 HydrophobicContact CG-CE3 3.8Å; P554-W570 HydrophobicContact CG-CZ3 4.22Å; V568-W570 HydrophobicContact CB-CZ2 4.37Å; V568-W570 HydrophobicContact CG1-CD2 3.98Å; V568-W570 HydrophobicContact CG1-CE3 4.29Å; V568-W570 HydrophobicContact CG1-CH2 4.22Å; V568-W570 HydrophobicContact CG1-CZ2 3.89Å; V568-W570 HydrophobicContact CG1-CZ3 4.4Å; W570-D574 HydrophobicContact CE3-CB 4.27Å
571	T	92.3	Very high	92.7	Very high	24 Å²	24	47 Å²	47	15%	0.147	23%	0.225	C	C	.	.			trans	-76.3	163.9	179.2	70.9	0	0	0	0	111.5	Y569 T573 D574 K575	Y569-T571 HydrophobicContact CD1-CG2 4.27Å; Y569-T571 HydrophobicContact CE1-CG2 4.07Å; T571-T573 PolarHBondContact O-N 3.15Å; T571-T573 PolarHBondContact OG1-N 3.15Å; T571-D574 VanDerWaalsContact CB-OD2 3.31Å; T571-D574 WeakPolarHBondContact CB-OD2 3.38Å; T571-D574 WeakPolarHBondContact CG2-OD2 3.37Å; T571-D574 PolarHBondContact N-OD2 3.19Å; T571-D574 WeakPolarHBondContact O-CB 3.18Å; T571-D574 PolarHBondContact O-N 2.81Å; T571-D574 VanDerWaalsContact O-N 3.13Å; T571-D574 PolarHBondContact OG1-N 3.48Å; T571-D574 VanDerWaalsContact OG1-N 3.17Å; T571-D574 PolarHBondContact OG1-OD2 2.66Å; T571-K575 PolarHBondContact O-N 2.87Å
572	D	91.7	Very high	92.9	Very high	120 Å²	120	46.7 Å²	46.7	64%	0.642	22%	0.224	S	C	*	.	H	α-helix	trans	-62.1	-26.5	173.1	-68.8	-36	0	0	0	112.6	N576	D572-N576 VanDerWaalsContact O-CB 3.32Å; D572-N576 WeakPolarHBondContact O-CB 3.3Å; D572-N576 PolarHBondContact O-N 3.02Å
573	T	93.1	Very high	93.1	Very high	70 Å²	70	45.6 Å²	45.6	43%	0.429	22%	0.217	S	C	.	.	H	α-helix	trans	-70.3	-43.1	174.4	-55.4	0	0	0	0	110.7	Y522 T571 K575 N576 M577 T617	Y522-T573 HydrophobicContact CE2-CG2 4.13Å; T571-T573 PolarHBondContact O-N 3.15Å; T571-T573 PolarHBondContact OG1-N 3.15Å; T573-K575 VanDerWaalsContact C-N 3.32Å; T573-K575 PolarHBondContact O-N 2.8Å; T573-N576 PolarHBondContact O-N 2.95Å; T573-M577 WeakPolarHBondContact O-CB 3.17Å; T573-M577 WeakPolarHBondContact O-CG 3.42Å; T573-M577 PolarHBondContact O-N 2.93Å; T573-T617 HydrophobicContact CG2-CG2 3.84Å
574	D	94.7	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-44.4	176	-57.1	-51.8	0	0	0	110.8	Y522 F524 S525 P554 W570 T571 M577 S578	Y522-D574 WeakPolarHBondContact CE1-OD1 3.36Å; Y522-D574 WeakPolarHBondContact OH-CA 3.34Å; Y522-D574 PolarHBondContact OH-N 2.75Å; Y522-D574 PolarHBondContact OH-OD1 3Å; F524-D574 WeakPolarHBondContact CA-OD1 3.26Å; F524-D574 HydrophobicContact CD1-CB 4.21Å; F524-D574 WeakPolarHBondContact CD1-OD1 3.22Å; S525-D574 PolarHBondContact N-OD1 3Å; S525-D574 VanDerWaalsContact N-OD1 3.17Å; S525-D574 PolarHBondContact OG-OD2 3.22Å; P554-D574 HydrophobicContact CB-CB 4.3Å; P554-D574 HydrophobicContact CG-CB 4.13Å; W570-D574 HydrophobicContact CE3-CB 4.27Å; T571-D574 VanDerWaalsContact CB-OD2 3.31Å; T571-D574 WeakPolarHBondContact CB-OD2 3.38Å; T571-D574 WeakPolarHBondContact CG2-OD2 3.37Å; T571-D574 PolarHBondContact N-OD2 3.19Å; T571-D574 WeakPolarHBondContact O-CB 3.18Å; T571-D574 PolarHBondContact O-N 2.81Å; T571-D574 VanDerWaalsContact O-N 3.13Å; T571-D574 PolarHBondContact OG1-N 3.48Å; T571-D574 VanDerWaalsContact OG1-N 3.17Å; T571-D574 PolarHBondContact OG1-OD2 2.66Å; D574-M577 PolarHBondContact O-N 3.47Å; D574-S578 WeakPolarHBondContact O-CB 3.4Å; D574-S578 PolarHBondContact O-N 3.29Å
575	K	95	Very high	93.9	Very high	57 Å²	57	36.5 Å²	36.5	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-46.4	175.2	-75.8	-177.4	-178.2	-179.5	0	112.5	P554 W555 T571 T573 S578 E579	P554-K575 HydrophobicContact CB-CB 4.47Å; P554-K575 HydrophobicContact CB-CG 3.8Å; P554-K575 VanDerWaalsContact O-CE 3.24Å; P554-K575 WeakPolarHBondContact O-CE 3.48Å; W555-K575 HydrophobicContact CD2-CD 4.47Å; W555-K575 HydrophobicContact CD2-CG 4.39Å; W555-K575 HydrophobicContact CH2-CD 4.11Å; W555-K575 HydrophobicContact CZ2-CB 3.65Å; W555-K575 HydrophobicContact CZ2-CD 3.91Å; W555-K575 HydrophobicContact CZ2-CG 4.06Å; W555-K575 HydrophobicContact CZ3-CD 4.43Å; W555-K575 PolarHBondContact NE1-O 3.31Å; T571-K575 PolarHBondContact O-N 2.87Å; T573-K575 VanDerWaalsContact C-N 3.32Å; T573-K575 PolarHBondContact O-N 2.8Å; K575-S578 PolarHBondContact O-N 2.95Å; K575-E579 WeakPolarHBondContact O-CG 3.28Å; K575-E579 PolarHBondContact O-N 2.71Å
576	N	94.7	Very high	94.1	Very high	64 Å²	64	36.9 Å²	36.9	34%	0.342	18%	0.182	S	C	.	.	H	α-helix	trans	-65.1	-39.4	177.9	-177.6	58.9	0	0	0	112.2	R107 D572 T573 E579 V580	R107-N576 PolarHBondContact NH2-OD1 2.92Å; D572-N576 VanDerWaalsContact O-CB 3.32Å; D572-N576 WeakPolarHBondContact O-CB 3.3Å; D572-N576 PolarHBondContact O-N 3.02Å; T573-N576 PolarHBondContact O-N 2.95Å; N576-E579 WeakPolarHBondContact O-CB 3.39Å; N576-E579 PolarHBondContact O-N 2.94Å; N576-V580 WeakPolarHBondContact O-CG2 3.18Å; N576-V580 PolarHBondContact O-N 3.44Å; N576-V580 VanDerWaalsContact O-N 3.13Å
577	M	95.7	Very high	94.3	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-44.1	176.2	-77.1	-53.5	-56.6	0	0	112.1	Y522 L549 T573 D574 E579 V580 F581 I615 N616	Y522-M577 HydrophobicContact CD1-CB 4.43Å; Y522-M577 HydrophobicContact CD1-CG 4.4Å; Y522-M577 HydrophobicContact CD2-CE 4.39Å; Y522-M577 HydrophobicContact CD2-CG 3.79Å; Y522-M577 HydrophobicContact CD2-SD 4.44Å; Y522-M577 HydrophobicContact CE1-CB 4.17Å; Y522-M577 HydrophobicContact CE1-CG 4.16Å; Y522-M577 HydrophobicContact CE2-CB 4.39Å; Y522-M577 HydrophobicContact CE2-CG 3.51Å; Y522-M577 HydrophobicContact CG-CE 4.42Å; Y522-M577 HydrophobicContact CG-CG 4.22Å; L549-M577 HydrophobicContact CD2-CB 4Å; T573-M577 WeakPolarHBondContact O-CB 3.17Å; T573-M577 WeakPolarHBondContact O-CG 3.42Å; T573-M577 PolarHBondContact O-N 2.93Å; D574-M577 PolarHBondContact O-N 3.47Å; M577-E579 VanDerWaalsContact C-N 3.34Å; M577-E579 PolarHBondContact O-N 2.96Å; M577-V580 PolarHBondContact O-N 3.36Å; M577-F581 WeakPolarHBondContact O-CB 3.27Å; M577-F581 PolarHBondContact O-N 2.9Å; M577-I615 HydrophobicContact CE-CG2 3.72Å; M577-N616 WeakPolarHBondContact CE-O 3.38Å
578	S	96.9	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-41	175.5	175.7	0	0	0	0	111.8	L549 G552 D574 K575 V580 F581 M582	L549-S578 PolarHBondContact O-OG 3.47Å; G552-S578 WeakPolarHBondContact CA-OG 3.23Å; D574-S578 WeakPolarHBondContact O-CB 3.4Å; D574-S578 PolarHBondContact O-N 3.29Å; K575-S578 PolarHBondContact O-N 2.95Å; S578-V580 PolarHBondContact O-N 3.22Å; S578-F581 PolarHBondContact O-N 2.88Å; S578-M582 WeakPolarHBondContact O-CB 3.16Å; S578-M582 WeakPolarHBondContact O-CE 3.49Å; S578-M582 WeakPolarHBondContact O-CG 3.1Å; S578-M582 PolarHBondContact O-N 2.86Å
579	E	95.7	Very high	95.1	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-55.4	-49.3	173.4	-78.5	176.7	-154.4	0	0	112.7	K99 W100 R107 W555 K575 N576 M577 A583	K99-E579 WeakPolarHBondContact CD-OE1 3.31Å; K99-E579 IonicContact NZ-OE1 3.37Å; K99-E579 PolarHBondContact NZ-OE1 3.09Å; W100-E579 HydrophobicContact CE3-CG 4.17Å; W100-E579 HydrophobicContact CH2-CG 3.95Å; W100-E579 HydrophobicContact CZ3-CG 3.39Å; R107-E579 IonicContact CZ-OE2 3.18Å; R107-E579 IonicContact NH1-OE2 2.68Å; R107-E579 PolarHBondContact NH1-OE2 3.27Å; R107-E579 IonicContact NH2-OE2 2.82Å; R107-E579 PolarHBondContact NH2-OE2 2.94Å; W555-E579 HydrophobicContact CZ2-CG 4.24Å; W555-E579 WeakPolarHBondContact CZ2-OE1 3.26Å; K575-E579 WeakPolarHBondContact O-CG 3.28Å; K575-E579 PolarHBondContact O-N 2.71Å; N576-E579 WeakPolarHBondContact O-CB 3.39Å; N576-E579 PolarHBondContact O-N 2.94Å; M577-E579 VanDerWaalsContact C-N 3.34Å; M577-E579 PolarHBondContact O-N 2.96Å; E579-A583 WeakPolarHBondContact O-CB 3.35Å; E579-A583 PolarHBondContact O-N 2.82Å
580	V	94.6	Very high	95.3	Very high	10 Å²	10	26.2 Å²	26.2	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-42.6	-178.6	171.9	0	0	0	0	110.7	N576 M577 S578 A583 M584	N576-V580 WeakPolarHBondContact O-CG2 3.18Å; N576-V580 PolarHBondContact O-N 3.44Å; N576-V580 VanDerWaalsContact O-N 3.13Å; M577-V580 PolarHBondContact O-N 3.36Å; S578-V580 PolarHBondContact O-N 3.22Å; V580-A583 PolarHBondContact O-N 3.34Å; V580-M584 HydrophobicContact CG1-CE 4.16Å; V580-M584 HydrophobicContact CG1-SD 4.49Å; V580-M584 WeakPolarHBondContact O-CG 3.4Å; V580-M584 PolarHBondContact O-N 3.3Å; V580-M584 VanDerWaalsContact O-N 3.09Å
581	F	97.1	Very high	95.5	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-47.8	179.7	-155.9	-91.2	0	0	0	112	M324 Y518 D546 L549 L550 M577 S578 A583 M584 W585 I615	M324-F581 HydrophobicContact CE-CE1 4.07Å; M324-F581 HydrophobicContact CE-CZ 4.27Å; Y518-F581 HydrophobicContact CE2-CE2 4.21Å; Y518-F581 HydrophobicContact CE2-CZ 4.21Å; D546-F581 HydrophobicContact CB-CE1 4.31Å; D546-F581 HydrophobicContact CB-CE2 4.35Å; D546-F581 HydrophobicContact CB-CZ 3.76Å; L549-F581 HydrophobicContact CB-CB 3.79Å; L549-F581 HydrophobicContact CB-CD1 3.96Å; L549-F581 HydrophobicContact CB-CD2 4.38Å; L549-F581 HydrophobicContact CB-CG 3.79Å; L549-F581 HydrophobicContact CD1-CB 4.43Å; L549-F581 HydrophobicContact CD1-CD2 4.03Å; L549-F581 HydrophobicContact CD1-CG 4.25Å; L550-F581 HydrophobicContact CB-CD1 3.93Å; L550-F581 HydrophobicContact CB-CE1 3.93Å; L550-F581 HydrophobicContact CD1-CD1 4.41Å; M577-F581 WeakPolarHBondContact O-CB 3.27Å; M577-F581 PolarHBondContact O-N 2.9Å; S578-F581 PolarHBondContact O-N 2.88Å; F581-A583 VanDerWaalsContact C-N 3.3Å; F581-A583 PolarHBondContact O-N 3.38Å; F581-M584 HydrophobicContact CD2-CE 4.02Å; F581-M584 HydrophobicContact CG-CE 4.5Å; F581-M584 PolarHBondContact O-N 3.08Å; F581-W585 HydrophobicContact CD1-CD2 4.48Å; F581-W585 HydrophobicContact CD1-CE3 4.05Å; F581-W585 HydrophobicContact CD1-CZ3 4.08Å; F581-W585 HydrophobicContact CD2-CZ3 4.2Å; F581-W585 HydrophobicContact CE1-CD2 4.08Å; F581-W585 AromaticContact CE1-CE3 3.82Å; F581-W585 HydrophobicContact CE1-CE3 3.82Å; F581-W585 AromaticContact CE1-CH2 3.6Å; F581-W585 HydrophobicContact CE1-CH2 3.6Å; F581-W585 AromaticContact CE1-CZ2 3.84Å; F581-W585 HydrophobicContact CE1-CZ2 3.84Å; F581-W585 AromaticContact CE1-CZ3 3.59Å; F581-W585 HydrophobicContact CE1-CZ3 3.59Å; F581-W585 AromaticContact CE2-CH2 3.82Å; F581-W585 HydrophobicContact CE2-CH2 3.82Å; F581-W585 AromaticContact CE2-CZ3 3.74Å; F581-W585 HydrophobicContact CE2-CZ3 3.74Å; F581-W585 HydrophobicContact CG-CZ3 4.37Å; F581-W585 HydrophobicContact CZ-CE3 4.14Å; F581-W585 AromaticContact CZ-CH2 3.18Å; F581-W585 HydrophobicContact CZ-CH2 3.18Å; F581-W585 AromaticContact CZ-CZ2 3.76Å; F581-W585 HydrophobicContact CZ-CZ2 3.76Å; F581-W585 AromaticContact CZ-CZ3 3.41Å; F581-W585 HydrophobicContact CZ-CZ3 3.41Å; F581-W585 VanDerWaalsContact CZ-CZ3 3.41Å; F581-W585 PolarHBondContact O-N 2.78Å; F581-I615 HydrophobicContact CD2-CD1 4.22Å; F581-I615 HydrophobicContact CE2-CD1 3.88Å
582	M	97.9	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-39.3	174.9	-70.4	-171.3	-73.8	0	0	112.5	W100 I236 L237 K240 L550 S578 W585 K586	W100-M582 HydrophobicContact CH2-CE 3.96Å; W100-M582 HydrophobicContact CZ2-CE 3.98Å; I236-M582 HydrophobicContact CG2-CE 3.93Å; I236-M582 HydrophobicContact CG2-SD 3.89Å; L237-M582 HydrophobicContact CD1-CB 4.13Å; L237-M582 HydrophobicContact CD1-CG 4Å; L237-M582 HydrophobicContact CD1-SD 4.32Å; K240-M582 HydrophobicContact CG-CB 4.12Å; K240-M582 HydrophobicContact CG-SD 4.37Å; L550-M582 VanDerWaalsContact O-CG 3.24Å; L550-M582 WeakPolarHBondContact O-CG 3.33Å; S578-M582 WeakPolarHBondContact O-CB 3.16Å; S578-M582 WeakPolarHBondContact O-CE 3.49Å; S578-M582 WeakPolarHBondContact O-CG 3.1Å; S578-M582 PolarHBondContact O-N 2.86Å; M582-W585 PolarHBondContact O-N 3Å; M582-K586 WeakPolarHBondContact O-CB 3.18Å; M582-K586 PolarHBondContact O-N 2.67Å
583	A	95.6	Very high	95.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-40.5	178.6	0	0	0	0	0	112.2	E579 V580 F581 K586 Q587 L596	E579-A583 WeakPolarHBondContact O-CB 3.35Å; E579-A583 PolarHBondContact O-N 2.82Å; V580-A583 PolarHBondContact O-N 3.34Å; F581-A583 VanDerWaalsContact C-N 3.3Å; F581-A583 PolarHBondContact O-N 3.38Å; A583-K586 PolarHBondContact O-N 3.44Å; A583-Q587 VanDerWaalsContact O-CB 3.27Å; A583-Q587 WeakPolarHBondContact O-CB 3.25Å; A583-Q587 PolarHBondContact O-N 3.35Å; A583-L596 HydrophobicContact CB-CD2 3.74Å
584	M	95.8	Very high	96	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.02	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-41.6	175.9	-68	-177.7	-60.8	0	0	111.9	V580 F581 Q587 F588 L596 W602 L613 I615	V580-M584 HydrophobicContact CG1-CE 4.16Å; V580-M584 HydrophobicContact CG1-SD 4.49Å; V580-M584 WeakPolarHBondContact O-CG 3.4Å; V580-M584 PolarHBondContact O-N 3.3Å; V580-M584 VanDerWaalsContact O-N 3.09Å; F581-M584 HydrophobicContact CD2-CE 4.02Å; F581-M584 HydrophobicContact CG-CE 4.5Å; F581-M584 PolarHBondContact O-N 3.08Å; M584-Q587 PolarHBondContact O-N 3.48Å; M584-F588 WeakPolarHBondContact O-CB 3.43Å; M584-F588 PolarHBondContact O-N 3.07Å; M584-L596 HydrophobicContact CG-CD2 4.37Å; M584-W602 HydrophobicContact CB-CZ3 4.23Å; M584-W602 HydrophobicContact CE-CZ3 4.32Å; M584-W602 HydrophobicContact CG-CZ3 4.38Å; M584-W602 HydrophobicContact SD-CE3 3.87Å; M584-W602 HydrophobicContact SD-CZ3 3.61Å; M584-L613 HydrophobicContact SD-CD2 4.28Å; M584-I615 HydrophobicContact CE-CD1 3.88Å
585	W	97.5	Very high	96	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-70.6	-39.3	177.4	-96.5	-118.2	0	0	0	112.6	M324 L414 Y518 L550 F581 M582 Q587 F588 A589 W602	M324-W585 HydrophobicContact CE-CZ2 4.35Å; M324-W585 HydrophobicContact CG-CZ2 4.19Å; M324-W585 HydrophobicContact SD-CZ2 4.11Å; L414-W585 HydrophobicContact CD1-CH2 4.44Å; L414-W585 HydrophobicContact CD2-CH2 3.64Å; L414-W585 HydrophobicContact CD2-CZ2 3.43Å; L414-W585 VanDerWaalsContact CD2-CZ2 3.43Å; L414-W585 HydrophobicContact CD2-CZ3 4.46Å; Y518-W585 AromaticContact CD1-CH2 3.93Å; Y518-W585 HydrophobicContact CD1-CH2 3.93Å; Y518-W585 AromaticContact CE1-CH2 3.43Å; Y518-W585 HydrophobicContact CE1-CH2 3.43Å; Y518-W585 VanDerWaalsContact CE1-CH2 3.43Å; Y518-W585 AromaticContact CE1-CZ2 3.84Å; Y518-W585 HydrophobicContact CE1-CZ2 3.84Å; Y518-W585 AromaticContact CZ-CH2 3.77Å; L550-W585 HydrophobicContact CD1-CB 3.67Å; L550-W585 HydrophobicContact CD1-CD2 4.17Å; L550-W585 HydrophobicContact CD1-CG 3.51Å; F581-W585 HydrophobicContact CD1-CD2 4.48Å; F581-W585 HydrophobicContact CD1-CE3 4.05Å; F581-W585 HydrophobicContact CD1-CZ3 4.08Å; F581-W585 HydrophobicContact CD2-CZ3 4.2Å; F581-W585 HydrophobicContact CE1-CD2 4.08Å; F581-W585 AromaticContact CE1-CE3 3.82Å; F581-W585 HydrophobicContact CE1-CE3 3.82Å; F581-W585 AromaticContact CE1-CH2 3.6Å; F581-W585 HydrophobicContact CE1-CH2 3.6Å; F581-W585 AromaticContact CE1-CZ2 3.84Å; F581-W585 HydrophobicContact CE1-CZ2 3.84Å; F581-W585 AromaticContact CE1-CZ3 3.59Å; F581-W585 HydrophobicContact CE1-CZ3 3.59Å; F581-W585 AromaticContact CE2-CH2 3.82Å; F581-W585 HydrophobicContact CE2-CH2 3.82Å; F581-W585 AromaticContact CE2-CZ3 3.74Å; F581-W585 HydrophobicContact CE2-CZ3 3.74Å; F581-W585 HydrophobicContact CG-CZ3 4.37Å; F581-W585 HydrophobicContact CZ-CE3 4.14Å; F581-W585 AromaticContact CZ-CH2 3.18Å; F581-W585 HydrophobicContact CZ-CH2 3.18Å; F581-W585 AromaticContact CZ-CZ2 3.76Å; F581-W585 HydrophobicContact CZ-CZ2 3.76Å; F581-W585 AromaticContact CZ-CZ3 3.41Å; F581-W585 HydrophobicContact CZ-CZ3 3.41Å; F581-W585 VanDerWaalsContact CZ-CZ3 3.41Å; F581-W585 PolarHBondContact O-N 2.78Å; M582-W585 PolarHBondContact O-N 3Å; W585-Q587 VanDerWaalsContact C-N 3.28Å; W585-Q587 PolarHBondContact O-N 3.07Å; W585-F588 PolarHBondContact O-N 2.83Å; W585-A589 WeakPolarHBondContact O-CB 3.49Å; W585-A589 PolarHBondContact O-N 3.5Å; W585-W602 HydrophobicContact CH2-CH2 4.4Å; W585-W602 HydrophobicContact CZ3-CH2 4.18Å; W585-W602 HydrophobicContact CZ3-CZ3 4.43Å
586	K	96.1	Very high	95.8	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.039	11%	0.109	C	C	.	.	H	α-helix	trans	-54.6	-48.3	170	173	-164.2	-177.6	175.6	0	110.3	D108 K240 V242 M582 A583 A589 R590	D108-K586 IonicContact OD2-NZ 2.69Å; D108-K586 PolarHBondContact OD2-NZ 2.91Å; K240-K586 HydrophobicContact CB-CD 4.34Å; K240-K586 VanDerWaalsContact O-CD 3.25Å; K240-K586 WeakPolarHBondContact O-CD 3.43Å; K240-K586 WeakPolarHBondContact O-CE 3.37Å; K240-K586 PolarHBondContact O-NZ 3.37Å; V242-K586 HydrophobicContact CG1-CB 3.98Å; V242-K586 HydrophobicContact CG1-CG 3.77Å; M582-K586 WeakPolarHBondContact O-CB 3.18Å; M582-K586 PolarHBondContact O-N 2.67Å; A583-K586 PolarHBondContact O-N 3.44Å; K586-A589 PolarHBondContact O-N 2.87Å; K586-R590 VanDerWaalsContact O-CB 3.27Å; K586-R590 WeakPolarHBondContact O-CB 3.37Å; K586-R590 PolarHBondContact O-N 2.85Å
587	Q	95.4	Very high	95.2	Very high	24 Å²	24	22 Å²	22	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-70.5	-36.7	-175.1	-171.3	47.2	19.7	0	0	112	A583 M584 W585 R590 S591 N593 N595	A583-Q587 VanDerWaalsContact O-CB 3.27Å; A583-Q587 WeakPolarHBondContact O-CB 3.25Å; A583-Q587 PolarHBondContact O-N 3.35Å; M584-Q587 PolarHBondContact O-N 3.48Å; W585-Q587 VanDerWaalsContact C-N 3.28Å; W585-Q587 PolarHBondContact O-N 3.07Å; Q587-R590 PolarHBondContact O-N 3.39Å; Q587-S591 PolarHBondContact NE2-OG 2.96Å; Q587-S591 WeakPolarHBondContact O-CB 3Å; Q587-S591 PolarHBondContact O-N 2.81Å; Q587-S591 PolarHBondContact O-OG 2.85Å; Q587-N593 CarbonylContact C-O 3.51Å; Q587-N593 WeakPolarHBondContact CG-O 3.4Å; Q587-N595 WeakPolarHBondContact CG-O 3.24Å
588	F	97.5	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-46.4	169.3	-173.6	-114.7	0	0	0	111.7	T294 A320 A321 A322 P412 L414 Y516 M584 W585 R590 Q592 N593 P594	T294-F588 HydrophobicContact CG2-CD1 4.01Å; T294-F588 HydrophobicContact CG2-CE1 3.95Å; A320-F588 HydrophobicContact CB-CE1 3.87Å; A320-F588 HydrophobicContact CB-CZ 3.91Å; A321-F588 WeakPolarHBondContact O-CE1 3.44Å; A322-F588 HydrophobicContact CB-CD1 4.48Å; A322-F588 HydrophobicContact CB-CE1 4.15Å; P412-F588 HydrophobicContact CB-CE2 4.21Å; P412-F588 HydrophobicContact CB-CZ 4.38Å; L414-F588 HydrophobicContact CB-CD1 4.08Å; L414-F588 HydrophobicContact CB-CD2 4.37Å; L414-F588 HydrophobicContact CB-CE1 3.67Å; L414-F588 HydrophobicContact CB-CE2 3.99Å; L414-F588 HydrophobicContact CB-CG 4.41Å; L414-F588 HydrophobicContact CB-CZ 3.62Å; L414-F588 HydrophobicContact CD1-CB 4.25Å; L414-F588 HydrophobicContact CD1-CD1 4.11Å; L414-F588 HydrophobicContact CD1-CD2 4.17Å; L414-F588 HydrophobicContact CD1-CG 3.91Å; Y516-F588 HydrophobicContact CD2-CE2 4.29Å; M584-F588 WeakPolarHBondContact O-CB 3.43Å; M584-F588 PolarHBondContact O-N 3.07Å; W585-F588 PolarHBondContact O-N 2.83Å; F588-R590 VanDerWaalsContact C-N 3.28Å; F588-R590 PolarHBondContact O-N 2.86Å; F588-Q592 WeakPolarHBondContact O-CA 3.49Å; F588-Q592 PolarHBondContact O-N 3.31Å; F588-N593 PolarHBondContact N-O 3.3Å; F588-P594 HydrophobicContact CB-CB 4.21Å
589	A	97.7	Very high	93.5	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-31.2	178.1	0	0	0	0	0	113.2	P214 I216 T294 W585 K586	P214-A589 HydrophobicContact CB-CB 4.04Å; P214-A589 WeakPolarHBondContact CB-O 3.15Å; I216-A589 HydrophobicContact CD1-CB 4.24Å; I216-A589 HydrophobicContact CG1-CB 3.9Å; T294-A589 VanDerWaalsContact OG1-CA 3.29Å; T294-A589 WeakPolarHBondContact OG1-CA 3.39Å; W585-A589 WeakPolarHBondContact O-CB 3.49Å; W585-A589 PolarHBondContact O-N 3.5Å; K586-A589 PolarHBondContact O-N 2.87Å
590	R	95.2	Very high	92.8	Very high	128 Å²	128	35.7 Å²	35.7	48%	0.483	18%	0.18	S	C	.	.	H	α-helix	trans	-79	-43.4	179.5	-178.2	179.3	176.9	169	1.2	113.4	P214 K586 Q587 F588	P214-R590 HydrophobicContact CG-CB 4.27Å; K586-R590 VanDerWaalsContact O-CB 3.27Å; K586-R590 WeakPolarHBondContact O-CB 3.37Å; K586-R590 PolarHBondContact O-N 2.85Å; Q587-R590 PolarHBondContact O-N 3.39Å; F588-R590 VanDerWaalsContact C-N 3.28Å; F588-R590 PolarHBondContact O-N 2.86Å
591	S	94.6	Very high	92.5	Very high	52 Å²	52	38 Å²	38	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-128.3	-1.5	-164.2	73.6	0	0	0	0	114.5	Q587 N593	Q587-S591 PolarHBondContact NE2-OG 2.96Å; Q587-S591 WeakPolarHBondContact O-CB 3Å; Q587-S591 PolarHBondContact O-N 2.81Å; Q587-S591 PolarHBondContact O-OG 2.85Å; S591-N593 PolarHBondContact O-N 2.86Å; S591-N593 PolarHBondContact OG-N 2.8Å; S591-N593 PolarHBondContact OG-O 2.87Å
592	Q	96.3	Very high	92.3	Very high	85 Å²	85	38.1 Å²	38.1	40%	0.397	19%	0.194	S	C	.	.	S	Bend	trans	62	17.8	-174.9	-50.8	165.3	3.4	0	0	113.6	A320 P412 F588	A320-Q592 HydrophobicContact CB-CG 4.34Å; P412-Q592 HydrophobicContact CB-CB 4.07Å; P412-Q592 HydrophobicContact CG-CB 3.86Å; P412-Q592 HydrophobicContact CG-CG 4.36Å; F588-Q592 WeakPolarHBondContact O-CA 3.49Å; F588-Q592 PolarHBondContact O-N 3.31Å
593	N	95.7	Very high	92.2	Very high	50 Å²	50	41.4 Å²	41.4	27%	0.267	21%	0.211	S	C	.	.			trans	-131.7	124.3	175.1	-176.1	-20.2	0	0	0	108.1	Q587 F588 S591 N595	Q587-N593 CarbonylContact C-O 3.51Å; Q587-N593 WeakPolarHBondContact CG-O 3.4Å; F588-N593 PolarHBondContact N-O 3.3Å; S591-N593 PolarHBondContact O-N 2.86Å; S591-N593 PolarHBondContact OG-N 2.8Å; S591-N593 PolarHBondContact OG-O 2.87Å; N593-N595 VanDerWaalsContact C-N 3.27Å; N593-N595 PolarHBondContact O-N 2.75Å; N593-N595 VanDerWaalsContact OD1-CB 3.26Å; N593-N595 WeakPolarHBondContact OD1-CB 3.32Å; N593-N595 PolarHBondContact OD1-N 3.12Å; N593-N595 PolarHBondContact OD1-ND2 2.83Å
594	P	96.3	Very high	92.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.			trans	-79.2	-7.2	-177.8	32.9	-35.8	0	0	0	114	L414 Y516 F588 W602	L414-P594 HydrophobicContact CD1-CB 3.8Å; L414-P594 HydrophobicContact CD1-CG 4.23Å; Y516-P594 HydrophobicContact CD1-CG 3.77Å; Y516-P594 HydrophobicContact CD2-CG 4.14Å; Y516-P594 HydrophobicContact CE1-CG 4.21Å; Y516-P594 HydrophobicContact CG-CG 3.73Å; F588-P594 HydrophobicContact CB-CB 4.21Å; P594-W602 HydrophobicContact CB-CD2 4.2Å; P594-W602 HydrophobicContact CB-CE3 3.59Å; P594-W602 HydrophobicContact CB-CH2 4.28Å; P594-W602 HydrophobicContact CB-CZ3 3.66Å; P594-W602 HydrophobicContact CG-CD2 3.66Å; P594-W602 HydrophobicContact CG-CE3 3.6Å; P594-W602 HydrophobicContact CG-CG 4.11Å; P594-W602 HydrophobicContact CG-CH2 4.45Å; P594-W602 HydrophobicContact CG-CZ2 4.49Å; P594-W602 HydrophobicContact CG-CZ3 4.03Å
595	N	94.3	Very high	92.3	Very high	13 Å²	13	45 Å²	45	7%	0.07	23%	0.23	C	C	.	.	S	Bend	trans	-66.2	134.1	178.8	-78.4	-75.4	0	0	0	111.7	Q587 N593 E599 V601 W602	Q587-N595 WeakPolarHBondContact CG-O 3.24Å; N593-N595 VanDerWaalsContact C-N 3.27Å; N593-N595 PolarHBondContact O-N 2.75Å; N593-N595 VanDerWaalsContact OD1-CB 3.26Å; N593-N595 WeakPolarHBondContact OD1-CB 3.32Å; N593-N595 PolarHBondContact OD1-N 3.12Å; N593-N595 PolarHBondContact OD1-ND2 2.83Å; N595-E599 VanDerWaalsContact CB-O 3.31Å; N595-E599 WeakPolarHBondContact CB-O 3.5Å; N595-E599 PolarHBondContact OD1-O 3.33Å; N595-V601 PolarHBondContact OD1-N 3.39Å; N595-W602 PolarHBondContact ND2-O 2.78Å; N595-W602 WeakPolarHBondContact OD1-CB 3.11Å; N595-W602 PolarHBondContact OD1-N 3.43Å
596	L	90.5	Very high	92.1	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.047	24%	0.235	C	C	.	.			trans	-62.5	151.6	169	-56.6	-177.1	0	0	0	110	R107 A583 M584 H598 E599	R107-L596 HydrophobicContact CB-CD1 4.49Å; A583-L596 HydrophobicContact CB-CD2 3.74Å; M584-L596 HydrophobicContact CG-CD2 4.37Å; L596-H598 PolarHBondContact O-N 3.34Å; L596-E599 HydrophobicContact CB-CB 4.33Å; L596-E599 HydrophobicContact CB-CG 4.37Å; L596-E599 PolarHBondContact O-N 3.25Å; L596-E599 VanDerWaalsContact O-O 3.05Å
597	P	81.9	Confident	91.9	Very high	62 Å²	62	48 Å²	48	40%	0.403	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-17	-170.9	-30.7	37.7	0	0	0	117.4
598	H	76	Confident	91.8	Very high	103 Å²	103	57.8 Å²	57.8	48%	0.477	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	1.9	-179.1	-57.2	-52.6	0	0	0	114.3	Q109 I110 L596	Q109-H598 PolarHBondContact O-NE2 3.5Å; I110-H598 VanDerWaalsContact CA-NE2 3.34Å; I110-H598 WeakPolarHBondContact CA-NE2 3.48Å; L596-H598 PolarHBondContact O-N 3.34Å
599	E	81.3	Confident	91.6	Very high	65 Å²	65	61.5 Å²	61.5	30%	0.304	31%	0.309	S	S	.	.			trans	-108.3	134.4	176.5	-66.3	177.2	177.7	0	0	107.5	N595 L596 V601 R619	N595-E599 VanDerWaalsContact CB-O 3.31Å; N595-E599 WeakPolarHBondContact CB-O 3.5Å; N595-E599 PolarHBondContact OD1-O 3.33Å; L596-E599 HydrophobicContact CB-CB 4.33Å; L596-E599 HydrophobicContact CB-CG 4.37Å; L596-E599 PolarHBondContact O-N 3.25Å; L596-E599 VanDerWaalsContact O-O 3.05Å; E599-V601 HydrophobicContact CB-CG2 4.29Å; E599-R619 VanDerWaalsContact CD-NH2 3.25Å; E599-R619 IonicContact OE1-CZ 2.7Å; E599-R619 IonicContact OE1-NH1 3.21Å; E599-R619 IonicContact OE1-NH2 3.12Å; E599-R619 PolarHBondContact OE1-NH2 3.34Å; E599-R619 IonicContact OE2-CZ 3.62Å; E599-R619 IonicContact OE2-NH1 3.52Å; E599-R619 PolarHBondContact OE2-NH1 3.12Å; E599-R619 IonicContact OE2-NH2 2.7Å; E599-R619 PolarHBondContact OE2-NH2 3.35Å
600	N	81.8	Confident	91.4	Very high	128 Å²	128	62.3 Å²	62.3	68%	0.684	31%	0.312	S	S	*	.			trans	-123.3	43.3	166.1	-163.8	25	0	0	0	109.4
601	V	88.4	Confident	91.5	Very high	60 Å²	60	56.8 Å²	56.8	36%	0.364	29%	0.292	S	S	.	.			trans	-83.1	-34.3	-175.1	-176.1	0	0	0	0	110.1	N595 E599 I603 L613 L621	N595-V601 PolarHBondContact OD1-N 3.39Å; E599-V601 HydrophobicContact CB-CG2 4.29Å; V601-I603 PolarHBondContact O-N 3.15Å; V601-I603 VanDerWaalsContact O-N 3.1Å; V601-L613 HydrophobicContact CG1-CD1 3.83Å; V601-L621 HydrophobicContact CG1-CB 4.42Å; V601-L621 WeakPolarHBondContact O-CD1 3.37Å
602	W	93.7	Very high	91.7	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.011	28%	0.278	C	S	.	.			trans	-86.7	83.4	-177.5	-157.2	-17.4	0	0	0	110.6	L414 Y516 M517 Y518 M584 W585 P594 N595 L613	L414-W602 HydrophobicContact CD1-CH2 3.96Å; L414-W602 HydrophobicContact CD1-CZ2 4.39Å; L414-W602 HydrophobicContact CD2-CH2 4.46Å; L414-W602 HydrophobicContact CG-CH2 4.3Å; L414-W602 HydrophobicContact CG-CZ2 4.35Å; Y516-W602 AromaticContact CD1-CD1 3.95Å; Y516-W602 HydrophobicContact CD1-CG 4.33Å; M517-W602 PolarHBondContact O-NE1 2.93Å; Y518-W602 AromaticContact CD1-CH2 3.92Å; Y518-W602 HydrophobicContact CD1-CH2 3.92Å; Y518-W602 AromaticContact CD1-CZ2 3.93Å; Y518-W602 HydrophobicContact CD1-CZ2 3.93Å; Y518-W602 HydrophobicContact CG-CH2 4.17Å; Y518-W602 HydrophobicContact CG-CZ2 4.16Å; M584-W602 HydrophobicContact CB-CZ3 4.23Å; M584-W602 HydrophobicContact CE-CZ3 4.32Å; M584-W602 HydrophobicContact CG-CZ3 4.38Å; M584-W602 HydrophobicContact SD-CE3 3.87Å; M584-W602 HydrophobicContact SD-CZ3 3.61Å; W585-W602 HydrophobicContact CH2-CH2 4.4Å; W585-W602 HydrophobicContact CZ3-CH2 4.18Å; W585-W602 HydrophobicContact CZ3-CZ3 4.43Å; P594-W602 HydrophobicContact CB-CD2 4.2Å; P594-W602 HydrophobicContact CB-CE3 3.59Å; P594-W602 HydrophobicContact CB-CH2 4.28Å; P594-W602 HydrophobicContact CB-CZ3 3.66Å; P594-W602 HydrophobicContact CG-CD2 3.66Å; P594-W602 HydrophobicContact CG-CE3 3.6Å; P594-W602 HydrophobicContact CG-CG 4.11Å; P594-W602 HydrophobicContact CG-CH2 4.45Å; P594-W602 HydrophobicContact CG-CZ2 4.49Å; P594-W602 HydrophobicContact CG-CZ3 4.03Å; N595-W602 PolarHBondContact ND2-O 2.78Å; N595-W602 WeakPolarHBondContact OD1-CB 3.11Å; N595-W602 PolarHBondContact OD1-N 3.43Å; W602-L613 HydrophobicContact CB-CD2 4.33Å; W602-L613 HydrophobicContact CD2-CB 3.91Å; W602-L613 HydrophobicContact CD2-CD2 3.67Å; W602-L613 HydrophobicContact CD2-CG 4.38Å; W602-L613 HydrophobicContact CE3-CD2 3.53Å; W602-L613 HydrophobicContact CG-CB 3.96Å; W602-L613 HydrophobicContact CG-CD2 4.05Å; W602-L613 HydrophobicContact CG-CG 4.44Å; W602-L613 HydrophobicContact CZ2-CB 4.48Å; W602-L613 HydrophobicContact CZ3-CD2 4.08Å
603	I	95.1	Very high	91.7	Very high	69 Å²	69	51.4 Å²	51.4	35%	0.354	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-73.7	144.7	174.8	-56.7	-176.4	0	0	0	109.3	V601 L621	V601-I603 PolarHBondContact O-N 3.15Å; V601-I603 VanDerWaalsContact O-N 3.1Å; I603-L621 HydrophobicContact CB-CD1 4.31Å; I603-L621 HydrophobicContact CB-CD2 3.99Å; I603-L621 HydrophobicContact CD1-CD2 3.51Å; I603-L621 HydrophobicContact CG1-CD2 3.72Å
604	N	95.7	Very high	91.8	Very high	74 Å²	74	52.7 Å²	52.7	40%	0.396	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-64.1	147.9	178.6	65.3	-64.5	0	0	0	112	I514 V515 Y516 G606 N611	I514-N604 HydrophobicContact CG2-CB 4.2Å; V515-N604 CarbonylContact O-C 3.56Å; V515-N604 VanDerWaalsContact O-CA 3.24Å; V515-N604 WeakPolarHBondContact O-CA 3.18Å; V515-N604 VanDerWaalsContact O-CB 3.31Å; V515-N604 WeakPolarHBondContact O-CB 3.44Å; Y516-N604 HydrophobicContact CD1-CB 4.33Å; Y516-N604 HydrophobicContact CE1-CB 4.04Å; N604-G606 PolarHBondContact O-N 2.87Å; N604-N611 PolarHBondContact O-ND2 3.17Å
605	Y	97	Very high	91.8	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.02	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-72.5	119	169.2	-170.1	-72.4	0	0	0	108.4	A505 Q506 V515 M517 H610 N611 W627	A505-Y605 HydrophobicContact CB-CD1 4.37Å; A505-Y605 HydrophobicContact CB-CD2 4.42Å; A505-Y605 HydrophobicContact CB-CE1 4.3Å; A505-Y605 HydrophobicContact CB-CE2 4.33Å; A505-Y605 HydrophobicContact CB-CG 4.44Å; Q506-Y605 HydrophobicContact CB-CE1 4.41Å; Q506-Y605 PolarHBondContact OE1-OH 3.18Å; V515-Y605 HydrophobicContact CG1-CG 4.41Å; V515-Y605 PolarHBondContact O-N 3.48Å; M517-Y605 HydrophobicContact CB-CD2 3.91Å; M517-Y605 HydrophobicContact SD-CD2 3.96Å; M517-Y605 HydrophobicContact SD-CE2 3.84Å; Y605-H610 HydrophobicContact CD2-CB 4.26Å; Y605-H610 HydrophobicContact CE1-CB 4.34Å; Y605-H610 AromaticContact CE1-CD2 3.62Å; Y605-H610 HydrophobicContact CE2-CB 3.5Å; Y605-H610 VanDerWaalsContact CE2-CB 3.5Å; Y605-H610 AromaticContact CZ-CD2 3.48Å; Y605-H610 VanDerWaalsContact CZ-CD2 3.48Å; Y605-H610 AromaticContact CZ-CG 3.64Å; Y605-H610 PolarHBondContact OH-CD2 2.99Å; Y605-H610 VanDerWaalsContact OH-CD2 3.22Å; Y605-H610 VanDerWaalsContact OH-CG 3.25Å; Y605-N611 WeakPolarHBondContact CD2-O 3.24Å; Y605-W627 VanDerWaalsContact OH-CH2 3.28Å; Y605-W627 WeakPolarHBondContact OH-CH2 3.41Å; Y605-W627 WeakPolarHBondContact OH-CZ3 3.04Å
606	G	94.4	Very high	91.8	Very high	11 Å²	11	54.4 Å²	54.4	11%	0.113	27%	0.272	C	S	.	.			trans	-111	161.2	178.7	0	0	0	0	0	112	N604 R608 D609 H610	N604-G606 PolarHBondContact O-N 2.87Å; G606-R608 PolarHBondContact O-N 2.88Å; G606-D609 PolarHBondContact N-O 3.07Å; G606-D609 CarbonylContact O-C 3.59Å; G606-D609 PolarHBondContact O-N 3.06Å; G606-D609 VanDerWaalsContact O-N 3.12Å; G606-H610 PolarHBondContact O-CD2 3.04Å
607	P	91.4	Very high	91.9	Very high	64 Å²	64	58 Å²	58	42%	0.416	30%	0.295	S	S	.	.	S	Bend	trans	-58.4	-25.8	-176.6	-27.4	34.7	0	0	0	115.5	Q506 E510 H610	Q506-P607 PolarHBondContact NE2-O 3.06Å; E510-P607 HydrophobicContact CG-CB 3.98Å; E510-P607 HydrophobicContact CG-CG 4.16Å; P607-H610 PolarHBondContact O-NE2 3.42Å
608	R	92.3	Very high	92.3	Very high	229 Å²	229	59.8 Å²	59.8	86%	0.864	31%	0.305	S	S	*	.	S	Bend	trans	-113.7	-11.5	176.8	-63.6	-175.8	-179.1	179.5	0.2	113.7	G606	G606-R608 PolarHBondContact O-N 2.88Å
609	D	93.2	Very high	93.1	Very high	78 Å²	78	58.2 Å²	58.2	42%	0.417	30%	0.295	S	S	.	.			trans	-125.2	85.3	-174.9	-75.7	-64.6	0	0	0	107.4	G606 N611 K623	G606-D609 PolarHBondContact N-O 3.07Å; G606-D609 CarbonylContact O-C 3.59Å; G606-D609 PolarHBondContact O-N 3.06Å; G606-D609 VanDerWaalsContact O-N 3.12Å; D609-N611 PolarHBondContact O-N 3Å; D609-N611 PolarHBondContact O-ND2 3.45Å; D609-K623 IonicContact OD1-NZ 3.53Å; D609-K623 PolarHBondContact OD1-NZ 2.92Å
610	H	95.3	Very high	93.8	Very high	20 Å²	20	57.1 Å²	57.1	9%	0.093	30%	0.295	C	S	.	.			trans	-76.2	57.1	-174.7	-51.8	157.1	0	0	0	111.6	Q506 Y605 G606 P607 K623 D624 W627	Q506-H610 PolarHBondContact OE1-CD2 3.28Å; Q506-H610 VanDerWaalsContact OE1-CD2 3.25Å; Q506-H610 PolarHBondContact OE1-NE2 3.48Å; Y605-H610 HydrophobicContact CD2-CB 4.26Å; Y605-H610 HydrophobicContact CE1-CB 4.34Å; Y605-H610 AromaticContact CE1-CD2 3.62Å; Y605-H610 HydrophobicContact CE2-CB 3.5Å; Y605-H610 VanDerWaalsContact CE2-CB 3.5Å; Y605-H610 AromaticContact CZ-CD2 3.48Å; Y605-H610 VanDerWaalsContact CZ-CD2 3.48Å; Y605-H610 AromaticContact CZ-CG 3.64Å; Y605-H610 PolarHBondContact OH-CD2 2.99Å; Y605-H610 VanDerWaalsContact OH-CD2 3.22Å; Y605-H610 VanDerWaalsContact OH-CG 3.25Å; G606-H610 PolarHBondContact O-CD2 3.04Å; P607-H610 PolarHBondContact O-NE2 3.42Å; H610-K623 WeakPolarHBondContact O-CA 3.33Å; H610-D624 WeakPolarHBondContact CB-OD1 3.38Å; H610-D624 IonicContact CG-OD1 3.41Å; H610-D624 IonicContact ND1-OD1 2.69Å; H610-D624 PolarHBondContact ND1-OD1 3.12Å; H610-D624 PolarHBondContact O-N 3.07Å; H610-W627 AromaticContact CE1-CE2 3.64Å; H610-W627 AromaticContact CE1-CH2 3.6Å; H610-W627 AromaticContact CE1-CZ2 3.33Å; H610-W627 WeakPolarHBondContact CE1-CZ2 3.39Å; H610-W627 AromaticContact ND1-CD2 3.81Å; H610-W627 AromaticContact ND1-CE2 3.74Å; H610-W627 AromaticContact ND1-CE3 3.85Å; H610-W627 AromaticContact ND1-CH2 3.76Å; H610-W627 AromaticContact ND1-CZ2 3.73Å; H610-W627 AromaticContact ND1-CZ3 3.82Å
611	N	97.5	Very high	94.4	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.5	-177.7	-62.4	-54.9	0	0	0	110.7	N604 Y605 D609 L621 H622 K623	N604-N611 PolarHBondContact O-ND2 3.17Å; Y605-N611 WeakPolarHBondContact CD2-O 3.24Å; D609-N611 PolarHBondContact O-N 3Å; D609-N611 PolarHBondContact O-ND2 3.45Å; N611-L621 HydrophobicContact CB-CD1 4.16Å; N611-H622 WeakPolarHBondContact CA-O 3.44Å; N611-K623 WeakPolarHBondContact OD1-CE 3.4Å; N611-K623 WeakPolarHBondContact OD1-CG 3.31Å
612	Y	97.6	Very high	94.8	Very high	21 Å²	21	54.6 Å²	54.6	8%	0.082	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.5	170	75.4	-82	0	0	0	111.3	M517 V519 K614 H622 Y625	M517-Y612 CarbonylContact O-C 3.58Å; M517-Y612 VanDerWaalsContact O-CA 3.25Å; M517-Y612 WeakPolarHBondContact O-CA 3.44Å; V519-Y612 HydrophobicContact CB-CD2 3.86Å; V519-Y612 HydrophobicContact CB-CE2 3.88Å; V519-Y612 HydrophobicContact CG2-CD2 3.43Å; V519-Y612 VanDerWaalsContact CG2-CD2 3.43Å; V519-Y612 HydrophobicContact CG2-CE2 3.67Å; V519-Y612 HydrophobicContact CG2-CG 4.23Å; Y612-K614 HydrophobicContact CE2-CB 4.08Å; Y612-H622 HydrophobicContact CD1-CB 4.05Å; Y612-H622 HydrophobicContact CE1-CB 3.32Å; Y612-H622 HydrophobicContact CE2-CB 4Å; Y612-H622 PolarHBondContact N-O 3.23Å; Y612-H622 PolarHBondContact O-N 3.1Å; Y612-H622 WeakPolarHBondContact OH-CB 3.32Å; Y612-Y625 VanDerWaalsContact CE1-CB 3.48Å; Y612-Y625 HydrophobicContact CE1-CD2 4.22Å; Y612-Y625 HydrophobicContact CE1-CG 4.33Å; Y612-Y625 AromaticContact CE2-CD2 3.83Å; Y612-Y625 HydrophobicContact CE2-CD2 3.83Å; Y612-Y625 HydrophobicContact CE2-CG 4.33Å; Y612-Y625 AromaticContact CZ-CD2 3.59Å
613	L	97.5	Very high	95	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.2	174.1	-167.6	74	0	0	0	109.8	M517 Y518 V519 M584 V601 W602 I615 R619	M517-L613 PolarHBondContact O-N 3.27Å; Y518-L613 CarbonylContact C-O 3.36Å; Y518-L613 WeakPolarHBondContact CA-O 3.29Å; Y518-L613 WeakPolarHBondContact CB-O 3.47Å; V519-L613 PolarHBondContact N-O 2.77Å; M584-L613 HydrophobicContact SD-CD2 4.28Å; V601-L613 HydrophobicContact CG1-CD1 3.83Å; W602-L613 HydrophobicContact CB-CD2 4.33Å; W602-L613 HydrophobicContact CD2-CB 3.91Å; W602-L613 HydrophobicContact CD2-CD2 3.67Å; W602-L613 HydrophobicContact CD2-CG 4.38Å; W602-L613 HydrophobicContact CE3-CD2 3.53Å; W602-L613 HydrophobicContact CG-CB 3.96Å; W602-L613 HydrophobicContact CG-CD2 4.05Å; W602-L613 HydrophobicContact CG-CG 4.44Å; W602-L613 HydrophobicContact CZ2-CB 4.48Å; W602-L613 HydrophobicContact CZ3-CD2 4.08Å; L613-I615 HydrophobicContact CD2-CD1 4.46Å; L613-I615 HydrophobicContact CD2-CG1 4.04Å; L613-I615 HydrophobicContact CG-CG1 4.29Å; L613-I615 PolarHBondContact O-N 3.2Å; L613-R619 HydrophobicContact CD1-CB 4.25Å; L613-R619 HydrophobicContact CD2-CB 4.31Å; L613-R619 HydrophobicContact CD2-CG 4.33Å; L613-R619 HydrophobicContact CG-CB 4.43Å
614	K	97.5	Very high	95	Very high	77 Å²	77	60.1 Å²	60.1	34%	0.335	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115	167.7	-174.6	174.5	-178.7	173.7	0	108.8	V519 S521 Y612 R619 S620	V519-K614 WeakPolarHBondContact O-CA 3.43Å; S521-K614 WeakPolarHBondContact OG-CE 3.37Å; Y612-K614 HydrophobicContact CE2-CB 4.08Å; K614-R619 WeakPolarHBondContact O-CA 3.35Å; K614-S620 PolarHBondContact N-O 3.31Å; K614-S620 PolarHBondContact O-N 3.42Å; K614-S620 VanDerWaalsContact O-N 3.13Å
615	I	96.4	Very high	95	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.1	178.2	-60.6	175.2	0	0	0	108.8	Y518 V519 S521 M577 F581 M584 L613	Y518-I615 HydrophobicContact CD2-CD1 3.66Å; Y518-I615 HydrophobicContact CD2-CG1 4.47Å; Y518-I615 HydrophobicContact CE2-CD1 4.46Å; Y518-I615 HydrophobicContact CG-CD1 3.87Å; V519-I615 PolarHBondContact O-N 2.97Å; S521-I615 PolarHBondContact N-O 2.97Å; S521-I615 PolarHBondContact OG-O 3.16Å; M577-I615 HydrophobicContact CE-CG2 3.72Å; F581-I615 HydrophobicContact CD2-CD1 4.22Å; F581-I615 HydrophobicContact CE2-CD1 3.88Å; M584-I615 HydrophobicContact CE-CD1 3.88Å; L613-I615 HydrophobicContact CD2-CD1 4.46Å; L613-I615 HydrophobicContact CD2-CG1 4.04Å; L613-I615 HydrophobicContact CG-CG1 4.29Å; L613-I615 PolarHBondContact O-N 3.2Å
616	N	94.3	Very high	94.9	Very high	48 Å²	48	60.5 Å²	60.5	26%	0.257	30%	0.301	S	S	.	.	S	Bend	trans	-148.8	-163.2	167	-154.3	-53.1	0	0	0	106.4	S521 M577 T618	S521-N616 PolarHBondContact O-ND2 3.33Å; S521-N616 PolarHBondContact OG-ND2 3.17Å; S521-N616 VanDerWaalsContact OG-ND2 3.14Å; M577-N616 WeakPolarHBondContact CE-O 3.38Å; N616-T618 CarbonylContact C-O 3.57Å; N616-T618 PolarHBondContact N-O 3.44Å; N616-T618 CarbonylContact O-C 3.34Å; N616-T618 PolarHBondContact O-N 3.1Å; N616-T618 VanDerWaalsContact O-O 3.11Å
617	T	91.8	Very high	94.8	Very high	85 Å²	85	63.9 Å²	63.9	52%	0.521	31%	0.311	S	S	.	.	S	Bend	trans	-45.1	-31.6	167.5	52.1	0	0	0	0	113.2	Y522 T573	Y522-T617 HydrophobicContact CD2-CG2 4.34Å; Y522-T617 HydrophobicContact CE2-CG2 4Å; T573-T617 HydrophobicContact CG2-CG2 3.84Å
618	T	91.3	Very high	95	Very high	100 Å²	100	68.7 Å²	68.7	61%	0.613	33%	0.328	S	S	*	.	S	Bend	trans	-115.7	150.6	165.5	57.7	0	0	0	0	110.5	N616	N616-T618 CarbonylContact C-O 3.57Å; N616-T618 PolarHBondContact N-O 3.44Å; N616-T618 CarbonylContact O-C 3.34Å; N616-T618 PolarHBondContact O-N 3.1Å; N616-T618 VanDerWaalsContact O-O 3.11Å
619	R	92.3	Very high	95.2	Very high	69 Å²	69	59.1 Å²	59.1	26%	0.26	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.3	175.8	-69.7	168.9	-70.7	159.3	8.6	108.4	E599 L613 K614	E599-R619 VanDerWaalsContact CD-NH2 3.25Å; E599-R619 IonicContact OE1-CZ 2.7Å; E599-R619 IonicContact OE1-NH1 3.21Å; E599-R619 IonicContact OE1-NH2 3.12Å; E599-R619 PolarHBondContact OE1-NH2 3.34Å; E599-R619 IonicContact OE2-CZ 3.62Å; E599-R619 IonicContact OE2-NH1 3.52Å; E599-R619 PolarHBondContact OE2-NH1 3.12Å; E599-R619 IonicContact OE2-NH2 2.7Å; E599-R619 PolarHBondContact OE2-NH2 3.35Å; L613-R619 HydrophobicContact CD1-CB 4.25Å; L613-R619 HydrophobicContact CD2-CB 4.31Å; L613-R619 HydrophobicContact CD2-CG 4.33Å; L613-R619 HydrophobicContact CG-CB 4.43Å; K614-R619 WeakPolarHBondContact O-CA 3.35Å
620	S	94.7	Very high	95.4	Very high	43 Å²	43	55.6 Å²	55.6	30%	0.301	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.7	-179.8	51.8	0	0	0	0	110.6	K614 H622	K614-S620 PolarHBondContact N-O 3.31Å; K614-S620 PolarHBondContact O-N 3.42Å; K614-S620 VanDerWaalsContact O-N 3.13Å; S620-H622 PolarHBondContact O-CD2 3.17Å; S620-H622 PolarHBondContact OG-CD2 3.07Å; S620-H622 PolarHBondContact OG-NE2 2.97Å
621	L	96	Very high	95.4	Very high	60 Å²	60	56.3 Å²	56.3	31%	0.314	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.1	177.2	-172.5	71.9	0	0	0	109.9	V601 I603 N611	V601-L621 HydrophobicContact CG1-CB 4.42Å; V601-L621 WeakPolarHBondContact O-CD1 3.37Å; I603-L621 HydrophobicContact CB-CD1 4.31Å; I603-L621 HydrophobicContact CB-CD2 3.99Å; I603-L621 HydrophobicContact CD1-CD2 3.51Å; I603-L621 HydrophobicContact CG1-CD2 3.72Å; N611-L621 HydrophobicContact CB-CD1 4.16Å
622	H	96.7	Very high	95.4	Very high	75 Å²	75	56.9 Å²	56.9	35%	0.347	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	174.2	177	-67.5	-93.3	0	0	0	109.5	N611 Y612 S620	N611-H622 WeakPolarHBondContact CA-O 3.44Å; Y612-H622 HydrophobicContact CD1-CB 4.05Å; Y612-H622 HydrophobicContact CE1-CB 3.32Å; Y612-H622 HydrophobicContact CE2-CB 4Å; Y612-H622 PolarHBondContact N-O 3.23Å; Y612-H622 PolarHBondContact O-N 3.1Å; Y612-H622 WeakPolarHBondContact OH-CB 3.32Å; S620-H622 PolarHBondContact O-CD2 3.17Å; S620-H622 PolarHBondContact OG-CD2 3.07Å; S620-H622 PolarHBondContact OG-NE2 2.97Å
623	K	96.2	Very high	95.2	Very high	107 Å²	107	56 Å²	56	47%	0.465	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.1	176.7	-67.5	-170.2	177.4	-168.2	0	110.5	D609 H610 N611 Y625	D609-K623 IonicContact OD1-NZ 3.53Å; D609-K623 PolarHBondContact OD1-NZ 2.92Å; H610-K623 WeakPolarHBondContact O-CA 3.33Å; N611-K623 WeakPolarHBondContact OD1-CE 3.4Å; N611-K623 WeakPolarHBondContact OD1-CG 3.31Å; K623-Y625 PolarHBondContact O-N 3.37Å
624	D	95.7	Very high	95	Very high	81 Å²	81	57.3 Å²	57.3	43%	0.433	29%	0.289	S	S	.	.	S	Bend	trans	58.1	49.2	164.8	-43.6	-38	0	0	0	113.1	H610 D626 W627	H610-D624 WeakPolarHBondContact CB-OD1 3.38Å; H610-D624 IonicContact CG-OD1 3.41Å; H610-D624 IonicContact ND1-OD1 2.69Å; H610-D624 PolarHBondContact ND1-OD1 3.12Å; H610-D624 PolarHBondContact O-N 3.07Å; D624-D626 PolarHBondContact O-N 3.19Å; D624-W627 HydrophobicContact CB-CB 4.17Å; D624-W627 PolarHBondContact O-N 2.07Å
625	Y	96.4	Very high	94.8	Very high	39 Å²	39	57 Å²	57	15%	0.153	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	113.9	-178.3	-177.2	-105	0	0	0	111.6	I417 V498 V519 Y612 K623 W627	I417-Y625 HydrophobicContact CD1-CD1 3.75Å; I417-Y625 HydrophobicContact CD1-CE1 3.34Å; V498-Y625 HydrophobicContact CG1-CD1 3.79Å; V498-Y625 HydrophobicContact CG1-CE1 3.72Å; V498-Y625 HydrophobicContact CG2-CE1 4.23Å; V519-Y625 HydrophobicContact CB-CD2 4.46Å; V519-Y625 HydrophobicContact CB-CE2 4.33Å; V519-Y625 HydrophobicContact CG1-CD2 4.33Å; V519-Y625 HydrophobicContact CG1-CE1 4.38Å; V519-Y625 HydrophobicContact CG1-CE2 3.72Å; V519-Y625 HydrophobicContact CG2-CD1 3.89Å; V519-Y625 HydrophobicContact CG2-CD2 3.78Å; V519-Y625 HydrophobicContact CG2-CE1 4.13Å; V519-Y625 HydrophobicContact CG2-CE2 4Å; V519-Y625 HydrophobicContact CG2-CG 3.7Å; Y612-Y625 VanDerWaalsContact CE1-CB 3.48Å; Y612-Y625 HydrophobicContact CE1-CD2 4.22Å; Y612-Y625 HydrophobicContact CE1-CG 4.33Å; Y612-Y625 AromaticContact CE2-CD2 3.83Å; Y612-Y625 HydrophobicContact CE2-CD2 3.83Å; Y612-Y625 HydrophobicContact CE2-CG 4.33Å; Y612-Y625 AromaticContact CZ-CD2 3.59Å; K623-Y625 PolarHBondContact O-N 3.37Å; Y625-W627 PolarHBondContact O-N 2.73Å
626	D	93.6	Very high	94.6	Very high	48 Å²	48	62.3 Å²	62.3	26%	0.257	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	38.1	177.4	-149.3	11.2	0	0	0	114.5	H490 D624 E628 H629 V630	H490-D626 IonicContact NE2-OD2 3.77Å; H490-D626 PolarHBondContact NE2-OD2 3.12Å; D624-D626 PolarHBondContact O-N 3.19Å; D626-E628 PolarHBondContact O-N 3.38Å; D626-E628 VanDerWaalsContact O-N 3.13Å; D626-H629 PolarHBondContact O-N 3.5Å; D626-H629 IonicContact OD1-CE1 3.55Å; D626-H629 PolarHBondContact OD1-CE1 2.99Å; D626-H629 IonicContact OD1-CG 2.61Å; D626-H629 IonicContact OD1-ND1 3.45Å; D626-H629 PolarHBondContact OD1-ND1 3.19Å; D626-H629 IonicContact OD2-CG 2.58Å; D626-H629 IonicContact OD2-ND1 3.42Å; D626-H629 PolarHBondContact OD2-ND1 3.06Å; D626-V630 PolarHBondContact O-N 2.7Å; D626-V630 VanDerWaalsContact O-N 3.08Å
627	W	93.2	Very high	94.5	Very high	82 Å²	82	60 Å²	60	31%	0.311	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-23.7	-167.3	-161.7	-102.2	0	0	0	113.8	Q506 Y605 H610 D624 Y625 V630 A631	Q506-W627 HydrophobicContact CB-CH2 4.45Å; Y605-W627 VanDerWaalsContact OH-CH2 3.28Å; Y605-W627 WeakPolarHBondContact OH-CH2 3.41Å; Y605-W627 WeakPolarHBondContact OH-CZ3 3.04Å; H610-W627 AromaticContact CE1-CE2 3.64Å; H610-W627 AromaticContact CE1-CH2 3.6Å; H610-W627 AromaticContact CE1-CZ2 3.33Å; H610-W627 WeakPolarHBondContact CE1-CZ2 3.39Å; H610-W627 AromaticContact ND1-CD2 3.81Å; H610-W627 AromaticContact ND1-CE2 3.74Å; H610-W627 AromaticContact ND1-CE3 3.85Å; H610-W627 AromaticContact ND1-CH2 3.76Å; H610-W627 AromaticContact ND1-CZ2 3.73Å; H610-W627 AromaticContact ND1-CZ3 3.82Å; D624-W627 HydrophobicContact CB-CB 4.17Å; D624-W627 PolarHBondContact O-N 2.07Å; Y625-W627 PolarHBondContact O-N 2.73Å; W627-V630 HydrophobicContact CD2-CB 4.35Å; W627-V630 HydrophobicContact CD2-CG1 4.35Å; W627-V630 HydrophobicContact CE3-CB 4.15Å; W627-V630 HydrophobicContact CE3-CG1 4Å; W627-V630 HydrophobicContact CE3-CG2 4.29Å; W627-V630 HydrophobicContact CH2-CG1 4.33Å; W627-V630 HydrophobicContact CZ3-CG1 4Å; W627-V630 PolarHBondContact O-N 3.3Å; W627-A631 VanDerWaalsContact O-CB 3.28Å; W627-A631 WeakPolarHBondContact O-CB 3.36Å; W627-A631 PolarHBondContact O-N 2.76Å
628	E	95.4	Very high	94.1	Very high	165 Å²	165	58.2 Å²	58.2	77%	0.771	29%	0.289	S	S	*	.	H	α-helix	trans	-62.9	-44.4	172.9	-65.7	-176.5	171.3	0	0	111.4	D626 A631 F632	D626-E628 PolarHBondContact O-N 3.38Å; D626-E628 VanDerWaalsContact O-N 3.13Å; E628-A631 PolarHBondContact O-N 3.13Å; E628-F632 WeakPolarHBondContact O-CB 3.45Å; E628-F632 PolarHBondContact O-N 2.95Å
629	H	96.6	Very high	93.9	Very high	28 Å²	28	58.5 Å²	58.5	13%	0.13	28%	0.283	C	S	.	.	H	α-helix	trans	-70.5	-38.9	174.9	-65.5	86	0	0	0	111	Y472 H490 D494 D626 A631 F632 W633	Y472-H629 AromaticContact CZ-CD2 4Å; Y472-H629 PolarHBondContact OH-CD2 3.49Å; H490-H629 AromaticContact CE1-CD2 3.96Å; H490-H629 AromaticContact CE1-CE1 3.79Å; H490-H629 AromaticContact CE1-NE2 3.54Å; D494-H629 WeakPolarHBondContact OD2-CB 3.5Å; D494-H629 IonicContact OD2-CD2 3.61Å; D494-H629 PolarHBondContact OD2-CD2 3.3Å; D494-H629 IonicContact OD2-CG 2.86Å; D626-H629 PolarHBondContact O-N 3.5Å; D626-H629 IonicContact OD1-CE1 3.55Å; D626-H629 PolarHBondContact OD1-CE1 2.99Å; D626-H629 IonicContact OD1-CG 2.61Å; D626-H629 IonicContact OD1-ND1 3.45Å; D626-H629 PolarHBondContact OD1-ND1 3.19Å; D626-H629 IonicContact OD2-CG 2.58Å; D626-H629 IonicContact OD2-ND1 3.42Å; D626-H629 PolarHBondContact OD2-ND1 3.06Å; H629-A631 VanDerWaalsContact C-N 3.3Å; H629-A631 PolarHBondContact O-N 3.43Å; H629-F632 WeakPolarHBondContact O-CB 3.46Å; H629-F632 PolarHBondContact O-N 3.35Å; H629-W633 PolarHBondContact O-N 3.48Å
630	V	96.8	Very high	93.5	Very high	3 Å²	3	56 Å²	56	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-44.8	172.5	177.2	0	0	0	0	111	V498 D626 W627 W633 N634	V498-V630 HydrophobicContact CG1-CG2 3.96Å; D626-V630 PolarHBondContact O-N 2.7Å; D626-V630 VanDerWaalsContact O-N 3.08Å; W627-V630 HydrophobicContact CD2-CB 4.35Å; W627-V630 HydrophobicContact CD2-CG1 4.35Å; W627-V630 HydrophobicContact CE3-CB 4.15Å; W627-V630 HydrophobicContact CE3-CG1 4Å; W627-V630 HydrophobicContact CE3-CG2 4.29Å; W627-V630 HydrophobicContact CH2-CG1 4.33Å; W627-V630 HydrophobicContact CZ3-CG1 4Å; W627-V630 PolarHBondContact O-N 3.3Å; V630-W633 PolarHBondContact O-N 2.88Å; V630-N634 WeakPolarHBondContact CG1-ND2 3.32Å; V630-N634 VanDerWaalsContact O-CB 3.27Å; V630-N634 WeakPolarHBondContact O-CB 3.42Å; V630-N634 PolarHBondContact O-N 2.77Å; V630-N634 PolarHBondContact O-ND2 3.29Å
631	A	96.5	Very high	92.6	Very high	36 Å²	36	55 Å²	55	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-67.7	-37.3	176.9	0	0	0	0	0	112	W627 E628 H629 W633 V635 Y636	W627-A631 VanDerWaalsContact O-CB 3.28Å; W627-A631 WeakPolarHBondContact O-CB 3.36Å; W627-A631 PolarHBondContact O-N 2.76Å; E628-A631 PolarHBondContact O-N 3.13Å; H629-A631 VanDerWaalsContact C-N 3.3Å; H629-A631 PolarHBondContact O-N 3.43Å; A631-W633 PolarHBondContact O-N 3.3Å; A631-V635 WeakPolarHBondContact O-CA 3.39Å; A631-V635 VanDerWaalsContact O-CB 3.25Å; A631-V635 WeakPolarHBondContact O-CB 3.49Å; A631-V635 PolarHBondContact O-N 3.32Å; A631-Y636 PolarHBondContact O-N 2.77Å
632	F	96.6	Very high	91.6	Very high	25 Å²	25	59.2 Å²	59.2	11%	0.11	29%	0.286	C	S	.	.	I	π-helix	trans	-56	-51.8	174.1	172.5	-96.1	0	0	0	111.5	A467 I468 L471 E628 H629 Y636 L637	A467-F632 HydrophobicContact CB-CE2 4.14Å; A467-F632 HydrophobicContact CB-CZ 4.25Å; I468-F632 HydrophobicContact CB-CZ 4.47Å; I468-F632 HydrophobicContact CG1-CE1 3.98Å; I468-F632 HydrophobicContact CG1-CZ 3.87Å; L471-F632 HydrophobicContact CD2-CB 4.3Å; L471-F632 HydrophobicContact CD2-CD1 3.53Å; L471-F632 HydrophobicContact CD2-CD2 3.88Å; L471-F632 HydrophobicContact CD2-CE1 3.7Å; L471-F632 HydrophobicContact CD2-CE2 4.03Å; L471-F632 HydrophobicContact CD2-CG 3.63Å; L471-F632 HydrophobicContact CD2-CZ 3.95Å; E628-F632 WeakPolarHBondContact O-CB 3.45Å; E628-F632 PolarHBondContact O-N 2.95Å; H629-F632 WeakPolarHBondContact O-CB 3.46Å; H629-F632 PolarHBondContact O-N 3.35Å; F632-Y636 AromaticContact CD2-CD1 3.63Å; F632-Y636 HydrophobicContact CD2-CD1 3.63Å; F632-Y636 HydrophobicContact CD2-CE1 4.32Å; F632-Y636 HydrophobicContact CD2-CG 4.34Å; F632-Y636 AromaticContact CE2-CD1 3.64Å; F632-Y636 HydrophobicContact CE2-CD1 3.64Å; F632-Y636 AromaticContact CE2-CE1 3.98Å; F632-Y636 HydrophobicContact CE2-CE1 3.98Å; F632-Y636 WeakPolarHBondContact O-CB 3.38Å; F632-Y636 PolarHBondContact O-N 3Å; F632-L637 HydrophobicContact CD1-CD1 4.39Å; F632-L637 HydrophobicContact CD1-CG 4.45Å; F632-L637 HydrophobicContact CE1-CD1 3.86Å; F632-L637 HydrophobicContact CE1-CD2 4.23Å; F632-L637 HydrophobicContact CE1-CG 4.02Å; F632-L637 HydrophobicContact CE2-CD2 4.24Å; F632-L637 HydrophobicContact CZ-CD1 4.28Å; F632-L637 HydrophobicContact CZ-CD2 3.79Å; F632-L637 HydrophobicContact CZ-CG 4.05Å; F632-L637 PolarHBondContact O-N 2.97Å
633	W	94.2	Very high	90.4	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.008	30%	0.296	C	S	.	.	I	π-helix	trans	-75	-37.9	-176.6	-73.9	108.1	0	0	0	114.2	Y451 I468 Y472 L491 A495 S499 H629 V630 A631 L637	Y451-W633 HydrophobicContact CD1-CZ3 4.17Å; Y451-W633 HydrophobicContact CE1-CE3 4.26Å; Y451-W633 HydrophobicContact CE1-CH2 4.48Å; Y451-W633 AromaticContact CE1-CZ3 3.53Å; Y451-W633 HydrophobicContact CE1-CZ3 3.53Å; Y451-W633 HydrophobicContact CE2-CZ3 4Å; Y451-W633 AromaticContact CZ-CE3 3.93Å; Y451-W633 AromaticContact CZ-CZ3 3.44Å; Y451-W633 VanDerWaalsContact CZ-CZ3 3.44Å; I468-W633 HydrophobicContact CD1-CH2 3.93Å; I468-W633 HydrophobicContact CD1-CZ3 3.91Å; I468-W633 HydrophobicContact CG1-CH2 3.98Å; I468-W633 HydrophobicContact CG1-CZ3 4.23Å; I468-W633 HydrophobicContact CG2-CH2 3.86Å; I468-W633 HydrophobicContact CG2-CZ2 4.25Å; Y472-W633 HydrophobicContact CD2-CZ2 4.44Å; Y472-W633 AromaticContact CE2-CZ2 3.55Å; Y472-W633 HydrophobicContact CE2-CZ2 3.55Å; Y472-W633 AromaticContact CE2-NE1 3.95Å; Y472-W633 AromaticContact CZ-NE1 3.78Å; Y472-W633 PolarHBondContact OH-NE1 3.2Å; L491-W633 HydrophobicContact CG-CZ2 4.42Å; A495-W633 HydrophobicContact CB-CD2 4.25Å; A495-W633 HydrophobicContact CB-CE3 4.21Å; A495-W633 HydrophobicContact CB-CH2 3.63Å; A495-W633 HydrophobicContact CB-CZ2 3.62Å; A495-W633 HydrophobicContact CB-CZ3 3.94Å; S499-W633 WeakPolarHBondContact OG-CB 3.35Å; H629-W633 PolarHBondContact O-N 3.48Å; V630-W633 PolarHBondContact O-N 2.88Å; A631-W633 PolarHBondContact O-N 3.3Å; W633-L637 HydrophobicContact CD2-CD1 4.08Å; W633-L637 HydrophobicContact CE3-CD1 3.32Å; W633-L637 HydrophobicContact CZ3-CD1 3.57Å
634	N	93.3	Very high	88.7	Confident	30 Å²	30	64.5 Å²	64.5	16%	0.16	31%	0.309	C	S	.	.	I	π-helix	trans	-89.7	-26.1	-175	-70.3	-36.8	0	0	0	114	S499 V630 N638	S499-N634 PolarHBondContact O-ND2 3.35Å; S499-N634 PolarHBondContact OG-ND2 3.27Å; S499-N634 PolarHBondContact OG-OD1 2.91Å; V630-N634 WeakPolarHBondContact CG1-ND2 3.32Å; V630-N634 VanDerWaalsContact O-CB 3.27Å; V630-N634 WeakPolarHBondContact O-CB 3.42Å; V630-N634 PolarHBondContact O-N 2.77Å; V630-N634 PolarHBondContact O-ND2 3.29Å; N634-N638 PolarHBondContact O-ND2 3.33Å
635	V	93	Very high	86.9	Confident	71 Å²	71	64.5 Å²	64.5	43%	0.43	31%	0.312	S	S	.	.	I	π-helix	trans	-117.8	-60.9	-173.8	-175.7	0	0	0	0	110.9	A631 L637 N638 Q639	A631-V635 WeakPolarHBondContact O-CA 3.39Å; A631-V635 VanDerWaalsContact O-CB 3.25Å; A631-V635 WeakPolarHBondContact O-CB 3.49Å; A631-V635 PolarHBondContact O-N 3.32Å; V635-L637 PolarHBondContact O-N 3.02Å; V635-N638 PolarHBondContact O-N 3Å; V635-Q639 HydrophobicContact CG1-CG 4.48Å; V635-Q639 WeakPolarHBondContact O-CG 3.47Å; V635-Q639 PolarHBondContact O-N 3.33Å
636	Y	93.1	Very high	84.9	Confident	112 Å²	112	68.3 Å²	68.3	44%	0.439	34%	0.339	S	S	.	.	I	π-helix	trans	-62.9	-48.5	-170	178.5	-103	0	0	0	112.7	A467 A631 F632 N638 Q639 L640	A467-Y636 HydrophobicContact CB-CE1 3.98Å; A631-Y636 PolarHBondContact O-N 2.77Å; F632-Y636 AromaticContact CD2-CD1 3.63Å; F632-Y636 HydrophobicContact CD2-CD1 3.63Å; F632-Y636 HydrophobicContact CD2-CE1 4.32Å; F632-Y636 HydrophobicContact CD2-CG 4.34Å; F632-Y636 AromaticContact CE2-CD1 3.64Å; F632-Y636 HydrophobicContact CE2-CD1 3.64Å; F632-Y636 AromaticContact CE2-CE1 3.98Å; F632-Y636 HydrophobicContact CE2-CE1 3.98Å; F632-Y636 WeakPolarHBondContact O-CB 3.38Å; F632-Y636 PolarHBondContact O-N 3Å; Y636-N638 VanDerWaalsContact C-N 3.31Å; Y636-N638 PolarHBondContact O-N 3.3Å; Y636-Q639 PolarHBondContact O-N 3.06Å; Y636-L640 HydrophobicContact CE1-CD2 4.3Å; Y636-L640 WeakPolarHBondContact O-CB 3.35Å; Y636-L640 PolarHBondContact O-N 3.5Å
637	L	90.3	Very high	83	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-36.5	-179.8	-72.2	-178.2	0	0	0	113.2	F457 A464 A467 I468 F632 W633 V635 L640 S641	F457-L637 HydrophobicContact CZ-CB 4.22Å; A464-L637 HydrophobicContact CB-CD2 4.31Å; A467-L637 HydrophobicContact CB-CD2 4.47Å; I468-L637 HydrophobicContact CD1-CD1 4.04Å; I468-L637 HydrophobicContact CD1-CD2 4.42Å; I468-L637 HydrophobicContact CG1-CD1 4.06Å; I468-L637 HydrophobicContact CG1-CD2 4.09Å; F632-L637 HydrophobicContact CD1-CD1 4.39Å; F632-L637 HydrophobicContact CD1-CG 4.45Å; F632-L637 HydrophobicContact CE1-CD1 3.86Å; F632-L637 HydrophobicContact CE1-CD2 4.23Å; F632-L637 HydrophobicContact CE1-CG 4.02Å; F632-L637 HydrophobicContact CE2-CD2 4.24Å; F632-L637 HydrophobicContact CZ-CD1 4.28Å; F632-L637 HydrophobicContact CZ-CD2 3.79Å; F632-L637 HydrophobicContact CZ-CG 4.05Å; F632-L637 PolarHBondContact O-N 2.97Å; W633-L637 HydrophobicContact CD2-CD1 4.08Å; W633-L637 HydrophobicContact CE3-CD1 3.32Å; W633-L637 HydrophobicContact CZ3-CD1 3.57Å; V635-L637 PolarHBondContact O-N 3.02Å; L637-L640 HydrophobicContact CD2-CD2 4.48Å; L637-L640 PolarHBondContact O-N 2.81Å; L637-S641 PolarHBondContact O-N 3.46Å; L637-S641 VanDerWaalsContact O-N 3.14Å
638	N	84.9	Confident	81.1	Confident	47 Å²	47	73.6 Å²	73.6	25%	0.251	37%	0.373	S	S	.	.	H	α-helix	trans	-67.1	-46.4	176.5	-69.7	-21.6	0	0	0	110.5	R455 N634 V635 Y636 L640 S641 E642	R455-N638 PolarHBondContact NH2-OD1 3.45Å; N634-N638 PolarHBondContact O-ND2 3.33Å; V635-N638 PolarHBondContact O-N 3Å; Y636-N638 VanDerWaalsContact C-N 3.31Å; Y636-N638 PolarHBondContact O-N 3.3Å; N638-L640 VanDerWaalsContact C-N 3.3Å; N638-L640 PolarHBondContact O-N 2.8Å; N638-S641 WeakPolarHBondContact O-CB 3.39Å; N638-S641 PolarHBondContact O-N 2.8Å; N638-S641 VanDerWaalsContact O-N 3.14Å; N638-S641 PolarHBondContact O-OG 3.49Å; N638-E642 PolarHBondContact O-N 3.03Å
639	Q	86.6	Confident	79.3	Confident	106 Å²	106	67.8 Å²	67.8	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-39.9	174.8	-71.4	176.2	-9	0	0	112.5	V635 Y636 S641 E642 L643	V635-Q639 HydrophobicContact CG1-CG 4.48Å; V635-Q639 WeakPolarHBondContact O-CG 3.47Å; V635-Q639 PolarHBondContact O-N 3.33Å; Y636-Q639 PolarHBondContact O-N 3.06Å; Q639-S641 PolarHBondContact O-N 3.47Å; Q639-E642 PolarHBondContact O-N 3.21Å; Q639-E642 VanDerWaalsContact O-N 3.1Å; Q639-L643 WeakPolarHBondContact O-CG 3.41Å; Q639-L643 PolarHBondContact O-N 2.94Å
640	L	84.7	Confident	77.7	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.084	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-36.2	177.9	-168.6	70.2	0	0	0	112	N460 A463 A464 A467 Y636 L637 N638 L643	N460-L640 VanDerWaalsContact CB-O 3.29Å; N460-L640 WeakPolarHBondContact CB-O 3.47Å; N460-L640 PolarHBondContact ND2-O 2.84Å; A463-L640 VanDerWaalsContact C-CD2 3.47Å; A463-L640 HydrophobicContact CB-CD1 4.07Å; A463-L640 HydrophobicContact CB-CD2 3.83Å; A463-L640 HydrophobicContact CB-CG 4.03Å; A464-L640 HydrophobicContact CB-CD2 4.22Å; A467-L640 HydrophobicContact CB-CD2 4.26Å; Y636-L640 HydrophobicContact CE1-CD2 4.3Å; Y636-L640 WeakPolarHBondContact O-CB 3.35Å; Y636-L640 PolarHBondContact O-N 3.5Å; L637-L640 HydrophobicContact CD2-CD2 4.48Å; L637-L640 PolarHBondContact O-N 2.81Å; N638-L640 VanDerWaalsContact C-N 3.3Å; N638-L640 PolarHBondContact O-N 2.8Å; L640-L643 HydrophobicContact CD1-CD1 4.39Å
641	S	74.3	Confident	76.1	Confident	23 Å²	23	77 Å²	77	16%	0.161	41%	0.405	C	S	.	.	H	α-helix	trans	-72.3	-34.4	174.1	79.2	0	0	0	0	112.6	F457 T459 L637 N638 Q639 L643	F457-S641 VanDerWaalsContact CD1-CB 3.48Å; T459-S641 WeakPolarHBondContact CB-O 3.42Å; T459-S641 PolarHBondContact OG1-O 2.89Å; L637-S641 PolarHBondContact O-N 3.46Å; L637-S641 VanDerWaalsContact O-N 3.14Å; N638-S641 WeakPolarHBondContact O-CB 3.39Å; N638-S641 PolarHBondContact O-N 2.8Å; N638-S641 VanDerWaalsContact O-N 3.14Å; N638-S641 PolarHBondContact O-OG 3.49Å; Q639-S641 PolarHBondContact O-N 3.47Å; S641-L643 VanDerWaalsContact C-N 3.3Å; S641-L643 PolarHBondContact O-N 2.7Å
642	E	75.4	Confident	74.6	Confident	147 Å²	147	80 Å²	80	69%	0.687	41%	0.413	S	S	*	.	H	α-helix	trans	-75.3	-19.9	177.8	-69.1	178.2	-179.5	0	0	113.3	N638 Q639 Y644	N638-E642 PolarHBondContact O-N 3.03Å; Q639-E642 PolarHBondContact O-N 3.21Å; Q639-E642 VanDerWaalsContact O-N 3.1Å; E642-Y644 PolarHBondContact O-N 2.69Å
643	L	72.1	Confident	73.4	Confident	105 Å²	105	81.2 Å²	81.2	55%	0.55	43%	0.427	S	S	.	.	S	Bend	trans	-64	103.6	172.6	-79	164.7	0	0	0	109.9	Q639 L640 S641 T645	Q639-L643 WeakPolarHBondContact O-CG 3.41Å; Q639-L643 PolarHBondContact O-N 2.94Å; L640-L643 HydrophobicContact CD1-CD1 4.39Å; S641-L643 VanDerWaalsContact C-N 3.3Å; S641-L643 PolarHBondContact O-N 2.7Å; L643-T645 PolarHBondContact O-N 3.15Å; L643-T645 VanDerWaalsContact O-N 3.1Å
644	Y	61.1	Low	72.6	Confident	189 Å²	189	84 Å²	84	74%	0.741	45%	0.447	S	S	*	.			trans	-56.8	116.6	164.9	-69.1	-80.4	0	0	0	108.6	E642 T646	E642-Y644 PolarHBondContact O-N 2.69Å; Y644-T646 VanDerWaalsContact C-N 3.25Å; Y644-T646 PolarHBondContact O-N 3.1Å
645	T	58	Low	71.9	Confident	81 Å²	81	86.7 Å²	86.7	50%	0.497	46%	0.461	S	S	.	.			trans	-66	93.1	164.6	48.9	0	0	0	0	106.9	L643 T647	L643-T645 PolarHBondContact O-N 3.15Å; L643-T645 VanDerWaalsContact O-N 3.1Å; T645-T647 PolarHBondContact O-N 3.29Å
646	T	53.7	Low	71.2	Confident	118 Å²	118	89 Å²	89	72%	0.724	46%	0.462	S	S	*	.			trans	-74.4	57.1	171.9	59.2	0	0	0	0	109.6	Y644	Y644-T646 VanDerWaalsContact C-N 3.25Å; Y644-T646 PolarHBondContact O-N 3.1Å
647	T	53.8	Low	70.7	Confident	119 Å²	119	91.4 Å²	91.4	73%	0.73	48%	0.475	S	S	*	.			trans	-102.4	76	162.2	55.7	0	0	0	0	107	T645 S649	T645-T647 PolarHBondContact O-N 3.29Å; T647-S649 PolarHBondContact O-N 3.45Å
648	F	53.7	Low	70.4	Confident	123 Å²	123	98 Å²	98	54%	0.539	51%	0.506	S	S	.	.			trans	-58	129.9	152.6	-69.5	-69.1	0	0	0	106.3	R656	F648-R656 VanDerWaalsContact CD1-NH2 3.26Å
649	S	57.4	Low	70.4	Confident	43 Å²	43	99.7 Å²	99.7	30%	0.301	51%	0.514	S	S	.	.			trans	-54.1	140.7	172.4	170.4	0	0	0	0	108.6	T647 I651 E652 A653	T647-S649 PolarHBondContact O-N 3.45Å; S649-I651 PolarHBondContact O-N 3.02Å; S649-I651 WeakPolarHBondContact OG-CB 3.44Å; S649-I651 PolarHBondContact OG-N 3.04Å; S649-E652 PolarHBondContact N-OE2 3.01Å; S649-E652 PolarHBondContact O-N 3.31Å; S649-A653 PolarHBondContact O-N 3.23Å
650	P	62.1	Low	70.4	Confident	113 Å²	113	99.8 Å²	99.8	73%	0.734	52%	0.517	S	S	*	.	H	α-helix	trans	-49.5	-29.1	171.8	-26	33	0	0	0	112.5	S654	P650-S654 PolarHBondContact O-N 3.22Å
651	I	62.9	Low	70.6	Confident	111 Å²	111	102.4 Å²	102.4	57%	0.569	54%	0.536	S	S	*	.	H	α-helix	trans	-67.4	-40.5	176.3	-57.1	171.5	0	0	0	111.6	S649 A653 S654 I655	S649-I651 PolarHBondContact O-N 3.02Å; S649-I651 WeakPolarHBondContact OG-CB 3.44Å; S649-I651 PolarHBondContact OG-N 3.04Å; I651-A653 VanDerWaalsContact C-N 3.33Å; I651-A653 PolarHBondContact O-N 3.33Å; I651-S654 PolarHBondContact O-N 3.11Å; I651-S654 PolarHBondContact O-OG 2.79Å; I651-I655 HydrophobicContact CG2-CD1 3.71Å; I651-I655 HydrophobicContact CG2-CG1 4.42Å; I651-I655 WeakPolarHBondContact O-CB 3.32Å; I651-I655 WeakPolarHBondContact O-CG1 3.42Å; I651-I655 PolarHBondContact O-N 3.45Å
652	E	65	Low	71.3	Confident	99 Å²	99	107.5 Å²	107.5	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-71.1	-31.1	179.1	-70.6	178.1	152.5	0	0	112	S649 R656	S649-E652 PolarHBondContact N-OE2 3.01Å; S649-E652 PolarHBondContact O-N 3.31Å; E652-R656 VanDerWaalsContact O-CB 3.24Å; E652-R656 WeakPolarHBondContact O-CB 3.39Å; E652-R656 PolarHBondContact O-N 3.35Å
653	A	71.3	Confident	72	Confident	50 Å²	50	107.1 Å²	107.1	41%	0.413	55%	0.552	S	S	.	*	H	α-helix	trans	-67.8	-39.6	175.2	0	0	0	0	0	112.1	S649 I651 K657	S649-A653 PolarHBondContact O-N 3.23Å; I651-A653 VanDerWaalsContact C-N 3.33Å; I651-A653 PolarHBondContact O-N 3.33Å; A653-K657 PolarHBondContact O-N 2.95Å
654	S	77.3	Confident	72.9	Confident	60 Å²	60	105 Å²	105	42%	0.42	55%	0.549	S	S	.	.	H	α-helix	trans	-68.5	-47.2	174.6	67.1	0	0	0	0	111.3	P650 I651 R656 K657 E658	P650-S654 PolarHBondContact O-N 3.22Å; I651-S654 PolarHBondContact O-N 3.11Å; I651-S654 PolarHBondContact O-OG 2.79Å; S654-R656 VanDerWaalsContact C-N 3.26Å; S654-R656 PolarHBondContact O-N 2.91Å; S654-K657 WeakPolarHBondContact O-CB 3.36Å; S654-K657 PolarHBondContact O-N 2.84Å; S654-K657 VanDerWaalsContact O-N 3.12Å; S654-E658 PolarHBondContact O-N 2.89Å
655	I	79.9	Confident	74.5	Confident	88 Å²	88	99.9 Å²	99.9	45%	0.451	54%	0.538	S	S	.	.	H	α-helix	trans	-58.7	-39.1	177.2	-68.6	169.5	0	0	0	110.9	I651 E658 L659	I651-I655 HydrophobicContact CG2-CD1 3.71Å; I651-I655 HydrophobicContact CG2-CG1 4.42Å; I651-I655 WeakPolarHBondContact O-CB 3.32Å; I651-I655 WeakPolarHBondContact O-CG1 3.42Å; I651-I655 PolarHBondContact O-N 3.45Å; I655-E658 PolarHBondContact O-N 2.81Å; I655-L659 VanDerWaalsContact O-CB 3.3Å; I655-L659 WeakPolarHBondContact O-CB 3.28Å; I655-L659 PolarHBondContact O-N 2.78Å
656	R	77.5	Confident	76.1	Confident	119 Å²	119	98.5 Å²	98.5	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-39.9	178.6	-161.8	-175.5	-59	-165.4	4.2	112	F648 E652 S654 L659 I660	F648-R656 VanDerWaalsContact CD1-NH2 3.26Å; E652-R656 VanDerWaalsContact O-CB 3.24Å; E652-R656 WeakPolarHBondContact O-CB 3.39Å; E652-R656 PolarHBondContact O-N 3.35Å; S654-R656 VanDerWaalsContact C-N 3.26Å; S654-R656 PolarHBondContact O-N 2.91Å; R656-L659 PolarHBondContact O-N 3.47Å; R656-I660 HydrophobicContact CG-CD1 4.21Å; R656-I660 WeakPolarHBondContact O-CB 3.39Å; R656-I660 VanDerWaalsContact O-CG1 3.23Å; R656-I660 WeakPolarHBondContact O-CG1 3.48Å; R656-I660 PolarHBondContact O-N 2.89Å
657	K	81.7	Confident	78	Confident	163 Å²	163	94.3 Å²	94.3	71%	0.709	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-43.8	173.6	-76.2	-178.7	178.8	178.6	0	111.2	A653 S654 I660 S661	A653-K657 PolarHBondContact O-N 2.95Å; S654-K657 WeakPolarHBondContact O-CB 3.36Å; S654-K657 PolarHBondContact O-N 2.84Å; S654-K657 VanDerWaalsContact O-N 3.12Å; K657-I660 PolarHBondContact O-N 2.86Å; K657-S661 WeakPolarHBondContact O-CB 3.42Å; K657-S661 PolarHBondContact O-N 3.14Å
658	E	85.8	Confident	79.9	Confident	139 Å²	139	92.8 Å²	92.8	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-41.7	175.2	-70.9	-173.6	170.9	0	0	112	S654 I655 S661 F662	S654-E658 PolarHBondContact O-N 2.89Å; I655-E658 PolarHBondContact O-N 2.81Å; E658-S661 WeakPolarHBondContact O-CB 3.5Å; E658-S661 PolarHBondContact O-N 3.27Å; E658-F662 VanDerWaalsContact O-CB 3.3Å; E658-F662 WeakPolarHBondContact O-CB 3.36Å; E658-F662 PolarHBondContact O-N 3.22Å
659	L	84.4	Confident	81.8	Confident	81 Å²	81	93.6 Å²	93.6	42%	0.424	50%	0.504	S	S	.	.	H	α-helix	trans	-67.1	-39.9	178.7	-169.7	72.9	0	0	0	112.1	I655 R656 F662 K663	I655-L659 VanDerWaalsContact O-CB 3.3Å; I655-L659 WeakPolarHBondContact O-CB 3.28Å; I655-L659 PolarHBondContact O-N 2.78Å; R656-L659 PolarHBondContact O-N 3.47Å; L659-F662 PolarHBondContact O-N 2.85Å; L659-K663 HydrophobicContact CG-CD 4.49Å; L659-K663 WeakPolarHBondContact O-CB 3.47Å; L659-K663 VanDerWaalsContact O-CG 3.3Å; L659-K663 WeakPolarHBondContact O-CG 3.46Å; L659-K663 PolarHBondContact O-N 3.07Å
660	I	86.9	Confident	83.6	Confident	109 Å²	109	96.6 Å²	96.6	56%	0.559	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-45.7	174.4	-69.9	165.2	0	0	0	109.7	R656 K657 F662 K663 A664	R656-I660 HydrophobicContact CG-CD1 4.21Å; R656-I660 WeakPolarHBondContact O-CB 3.39Å; R656-I660 VanDerWaalsContact O-CG1 3.23Å; R656-I660 WeakPolarHBondContact O-CG1 3.48Å; R656-I660 PolarHBondContact O-N 2.89Å; K657-I660 PolarHBondContact O-N 2.86Å; I660-F662 PolarHBondContact O-N 3.16Å; I660-K663 PolarHBondContact O-N 2.73Å; I660-A664 WeakPolarHBondContact O-CB 3.48Å; I660-A664 PolarHBondContact O-N 2.93Å
661	S	87.8	Confident	85.1	Confident	71 Å²	71	96.9 Å²	96.9	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-46.9	174.8	-173.7	0	0	0	0	111.3	K657 E658 K663 A664 T665	K657-S661 WeakPolarHBondContact O-CB 3.42Å; K657-S661 PolarHBondContact O-N 3.14Å; E658-S661 WeakPolarHBondContact O-CB 3.5Å; E658-S661 PolarHBondContact O-N 3.27Å; S661-K663 PolarHBondContact O-N 3.13Å; S661-A664 PolarHBondContact O-N 3.32Å; S661-T665 PolarHBondContact O-N 3.13Å; S661-T665 PolarHBondContact O-OG1 3.28Å; S661-T665 VanDerWaalsContact O-OG1 3.07Å
662	F	90	Very high	86.6	Confident	130 Å²	130	96.6 Å²	96.6	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-61.6	-45.1	178.9	-179.2	-99.8	0	0	0	112	E658 L659 I660 A664 T665 T666	E658-F662 VanDerWaalsContact O-CB 3.3Å; E658-F662 WeakPolarHBondContact O-CB 3.36Å; E658-F662 PolarHBondContact O-N 3.22Å; L659-F662 PolarHBondContact O-N 2.85Å; I660-F662 PolarHBondContact O-N 3.16Å; F662-A664 PolarHBondContact O-N 3.23Å; F662-T665 WeakPolarHBondContact CA-OG1 3.47Å; F662-T665 PolarHBondContact O-N 3.06Å; F662-T665 PolarHBondContact O-OG1 3.25Å; F662-T666 WeakPolarHBondContact O-CB 3.45Å; F662-T666 PolarHBondContact O-N 3.44Å; F662-T666 PolarHBondContact O-OG1 3.22Å
663	K	90	Very high	88	Confident	139 Å²	139	94 Å²	94	60%	0.604	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-42.3	176.4	-76.3	178.9	179.5	-177	0	111.6	L659 I660 S661 T666 G667	L659-K663 HydrophobicContact CG-CD 4.49Å; L659-K663 WeakPolarHBondContact O-CB 3.47Å; L659-K663 VanDerWaalsContact O-CG 3.3Å; L659-K663 WeakPolarHBondContact O-CG 3.46Å; L659-K663 PolarHBondContact O-N 3.07Å; I660-K663 PolarHBondContact O-N 2.73Å; S661-K663 PolarHBondContact O-N 3.13Å; K663-T666 PolarHBondContact O-N 2.87Å; K663-G667 PolarHBondContact O-N 2.56Å
664	A	91.6	Very high	89	Confident	60 Å²	60	94.1 Å²	94.1	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-47.4	176.1	0	0	0	0	0	111.5	I660 S661 F662 T666 G667 V668	I660-A664 WeakPolarHBondContact O-CB 3.48Å; I660-A664 PolarHBondContact O-N 2.93Å; S661-A664 PolarHBondContact O-N 3.32Å; F662-A664 PolarHBondContact O-N 3.23Å; A664-T666 VanDerWaalsContact C-N 3.34Å; A664-T666 PolarHBondContact O-N 3.25Å; A664-G667 PolarHBondContact O-N 3.06Å; A664-V668 WeakPolarHBondContact O-CG2 3Å; A664-V668 PolarHBondContact O-N 3.5Å
665	T	93.4	Very high	89.8	Confident	81 Å²	81	93.5 Å²	93.5	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-38.7	177.6	47.9	0	0	0	0	112.6	S661 F662 V668 F669	S661-T665 PolarHBondContact O-N 3.13Å; S661-T665 PolarHBondContact O-OG1 3.28Å; S661-T665 VanDerWaalsContact O-OG1 3.07Å; F662-T665 WeakPolarHBondContact CA-OG1 3.47Å; F662-T665 PolarHBondContact O-N 3.06Å; F662-T665 PolarHBondContact O-OG1 3.25Å; T665-V668 PolarHBondContact O-N 3.11Å; T665-F669 PolarHBondContact O-N 2.82Å
666	T	92.2	Very high	90.4	Very high	53 Å²	53	93.4 Å²	93.4	33%	0.325	50%	0.504	S	S	.	.	H	α-helix	trans	-67.5	-41.6	178.4	-50.5	0	0	0	0	110.6	F662 K663 A664 F669 I670	F662-T666 WeakPolarHBondContact O-CB 3.45Å; F662-T666 PolarHBondContact O-N 3.44Å; F662-T666 PolarHBondContact O-OG1 3.22Å; K663-T666 PolarHBondContact O-N 2.87Å; A664-T666 VanDerWaalsContact C-N 3.34Å; A664-T666 PolarHBondContact O-N 3.25Å; T666-F669 PolarHBondContact O-N 3.4Å; T666-I670 HydrophobicContact CG2-CD1 4.14Å; T666-I670 VanDerWaalsContact O-CG1 3.3Å; T666-I670 WeakPolarHBondContact O-CG1 3.28Å; T666-I670 PolarHBondContact O-N 3.35Å
667	G	92.3	Very high	91.2	Very high	30 Å²	30	95.2 Å²	95.2	31%	0.309	52%	0.515	S	S	.	.	H	α-helix	trans	-59.6	-45.4	174.4	0	0	0	0	0	112.5	K663 A664 F669 I670 I671	K663-G667 PolarHBondContact O-N 2.56Å; A664-G667 PolarHBondContact O-N 3.06Å; G667-F669 PolarHBondContact O-N 3.44Å; G667-I670 PolarHBondContact O-N 3.27Å; G667-I671 VanDerWaalsContact O-CG1 3.31Å; G667-I671 WeakPolarHBondContact O-CG1 3.3Å; G667-I671 PolarHBondContact O-N 2.95Å; G667-I671 VanDerWaalsContact O-N 3.1Å
668	V	94.4	Very high	91.7	Very high	87 Å²	87	91.7 Å²	91.7	53%	0.527	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-42.4	176.1	173.1	0	0	0	0	111.5	A664 T665 I671 L672	A664-V668 WeakPolarHBondContact O-CG2 3Å; A664-V668 PolarHBondContact O-N 3.5Å; T665-V668 PolarHBondContact O-N 3.11Å; V668-I671 PolarHBondContact O-N 2.94Å; V668-L672 HydrophobicContact CG1-CD1 4.1Å; V668-L672 WeakPolarHBondContact O-CG 3.41Å; V668-L672 PolarHBondContact O-N 2.99Å
669	F	94.6	Very high	92	Very high	139 Å²	139	88.6 Å²	88.6	61%	0.61	50%	0.501	S	S	*	.	H	α-helix	trans	-63.6	-42.7	178.7	-167	-93.3	0	0	0	112.3	T665 T666 G667 I671 L672 C673	T665-F669 PolarHBondContact O-N 2.82Å; T666-F669 PolarHBondContact O-N 3.4Å; G667-F669 PolarHBondContact O-N 3.44Å; F669-I671 VanDerWaalsContact C-N 3.33Å; F669-I671 PolarHBondContact O-N 2.93Å; F669-L672 PolarHBondContact O-N 2.98Å; F669-C673 WeakPolarHBondContact CE1-SG 3.3Å; F669-C673 PolarHBondContact O-N 3.46Å; F669-C673 PolarHBondContact O-SG 3.46Å
670	I	93.5	Very high	92.4	Very high	107 Å²	107	87 Å²	87	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-43.2	176	-69.2	166.7	0	0	0	110.9	T666 G667 C673 A674	T666-I670 HydrophobicContact CG2-CD1 4.14Å; T666-I670 VanDerWaalsContact O-CG1 3.3Å; T666-I670 WeakPolarHBondContact O-CG1 3.28Å; T666-I670 PolarHBondContact O-N 3.35Å; G667-I670 PolarHBondContact O-N 3.27Å; I670-C673 PolarHBondContact O-N 3.26Å; I670-A674 WeakPolarHBondContact O-CB 3.32Å; I670-A674 PolarHBondContact O-N 2.82Å
671	I	94.9	Very high	92.6	Very high	119 Å²	119	83.7 Å²	83.7	61%	0.61	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-43.5	178.1	-67.9	166.3	0	0	0	110.9	G667 V668 F669 A674 A675	G667-I671 VanDerWaalsContact O-CG1 3.31Å; G667-I671 WeakPolarHBondContact O-CG1 3.3Å; G667-I671 PolarHBondContact O-N 2.95Å; G667-I671 VanDerWaalsContact O-N 3.1Å; V668-I671 PolarHBondContact O-N 2.94Å; F669-I671 VanDerWaalsContact C-N 3.33Å; F669-I671 PolarHBondContact O-N 2.93Å; I671-A674 PolarHBondContact O-N 2.68Å; I671-A675 WeakPolarHBondContact O-CB 3.31Å; I671-A675 PolarHBondContact O-N 2.91Å
672	L	95.1	Very high	92.7	Very high	104 Å²	104	84.1 Å²	84.1	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-43.4	177.5	-73.6	169.9	0	0	0	112.1	V668 F669 A675 T676	V668-L672 HydrophobicContact CG1-CD1 4.1Å; V668-L672 WeakPolarHBondContact O-CG 3.41Å; V668-L672 PolarHBondContact O-N 2.99Å; F669-L672 PolarHBondContact O-N 2.98Å; L672-A675 PolarHBondContact O-N 3.11Å; L672-T676 WeakPolarHBondContact O-CG2 3.48Å; L672-T676 PolarHBondContact O-N 3.12Å; L672-T676 PolarHBondContact O-OG1 2.55Å
673	C	93.9	Very high	92.9	Very high	44 Å²	44	83.6 Å²	83.6	30%	0.297	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-44.2	174.4	-74.1	0	0	0	0	111.8	F669 I670 A675 T676 F677	F669-C673 WeakPolarHBondContact CE1-SG 3.3Å; F669-C673 PolarHBondContact O-N 3.46Å; F669-C673 PolarHBondContact O-SG 3.46Å; I670-C673 PolarHBondContact O-N 3.26Å; C673-A675 VanDerWaalsContact C-N 3.31Å; C673-A675 PolarHBondContact O-N 2.67Å; C673-T676 PolarHBondContact O-N 3.25Å; C673-T676 PolarHBondContact O-OG1 3.04Å; C673-F677 WeakPolarHBondContact O-CD2 3.44Å; C673-F677 PolarHBondContact O-N 3.4Å
674	A	92.5	Very high	92.9	Very high	53 Å²	53	83 Å²	83	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-40.7	176.7	0	0	0	0	0	111.8	I670 I671 T678	I670-A674 WeakPolarHBondContact O-CB 3.32Å; I670-A674 PolarHBondContact O-N 2.82Å; I671-A674 PolarHBondContact O-N 2.68Å; A674-T678 WeakPolarHBondContact O-CB 3.35Å; A674-T678 VanDerWaalsContact O-CG2 3.29Å; A674-T678 WeakPolarHBondContact O-CG2 3.49Å; A674-T678 PolarHBondContact O-N 3.12Å; A674-T678 PolarHBondContact O-OG1 3.37Å
675	A	93.4	Very high	92.8	Very high	47 Å²	47	87.9 Å²	87.9	39%	0.388	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-39.6	176.5	0	0	0	0	0	112.8	I671 L672 C673 T678 C679	I671-A675 WeakPolarHBondContact O-CB 3.31Å; I671-A675 PolarHBondContact O-N 2.91Å; L672-A675 PolarHBondContact O-N 3.11Å; C673-A675 VanDerWaalsContact C-N 3.31Å; C673-A675 PolarHBondContact O-N 2.67Å; A675-T678 WeakPolarHBondContact CA-OG1 3.38Å; A675-T678 PolarHBondContact O-OG1 2.98Å; A675-C679 WeakPolarHBondContact O-CB 3.24Å; A675-C679 PolarHBondContact O-N 3.48Å; A675-C679 PolarHBondContact O-SG 2.86Å
676	T	93.7	Very high	92.8	Very high	86 Å²	86	89.1 Å²	89.1	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-71.5	-41.3	178.1	56.3	0	0	0	0	112.1	L672 C673 T678 C679 A680	L672-T676 WeakPolarHBondContact O-CG2 3.48Å; L672-T676 PolarHBondContact O-N 3.12Å; L672-T676 PolarHBondContact O-OG1 2.55Å; C673-T676 PolarHBondContact O-N 3.25Å; C673-T676 PolarHBondContact O-OG1 3.04Å; T676-T678 PolarHBondContact O-N 2.9Å; T676-C679 PolarHBondContact O-N 3.41Å; T676-A680 WeakPolarHBondContact O-CB 3.42Å; T676-A680 PolarHBondContact O-N 2.83Å
677	F	92.6	Very high	92.6	Very high	158 Å²	158	89.3 Å²	89.3	69%	0.693	51%	0.514	S	S	*	.	H	α-helix	trans	-64.6	-39	175.8	-80.9	-65	0	0	0	112.3	C673 A680 G681	C673-F677 WeakPolarHBondContact O-CD2 3.44Å; C673-F677 PolarHBondContact O-N 3.4Å; F677-A680 PolarHBondContact O-N 3.18Å; F677-G681 PolarHBondContact O-N 3.24Å
678	T	92.1	Very high	92.4	Very high	88 Å²	88	90.2 Å²	90.2	54%	0.54	52%	0.518	S	S	.	.	H	α-helix	trans	-68	-39.8	175.4	48.3	0	0	0	0	112.2	A674 A675 T676 G681 T682	A674-T678 WeakPolarHBondContact O-CB 3.35Å; A674-T678 VanDerWaalsContact O-CG2 3.29Å; A674-T678 WeakPolarHBondContact O-CG2 3.49Å; A674-T678 PolarHBondContact O-N 3.12Å; A674-T678 PolarHBondContact O-OG1 3.37Å; A675-T678 WeakPolarHBondContact CA-OG1 3.38Å; A675-T678 PolarHBondContact O-OG1 2.98Å; T676-T678 PolarHBondContact O-N 2.9Å; T678-G681 PolarHBondContact O-N 2.83Å; T678-T682 WeakPolarHBondContact O-CB 3.33Å; T678-T682 WeakPolarHBondContact O-CG2 3.27Å; T678-T682 PolarHBondContact O-N 2.84Å; T678-T682 PolarHBondContact O-OG1 2.81Å
679	C	93.3	Very high	92.1	Very high	75 Å²	75	88.4 Å²	88.4	51%	0.507	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-44.6	172.3	-73.5	0	0	0	0	112.4	A675 T676 T682 L683	A675-C679 WeakPolarHBondContact O-CB 3.24Å; A675-C679 PolarHBondContact O-N 3.48Å; A675-C679 PolarHBondContact O-SG 2.86Å; T676-C679 PolarHBondContact O-N 3.41Å; C679-T682 WeakPolarHBondContact CA-OG1 3.18Å; C679-T682 PolarHBondContact O-N 2.73Å; C679-T682 PolarHBondContact O-OG1 2.98Å; C679-L683 WeakPolarHBondContact O-CB 3.49Å; C679-L683 WeakPolarHBondContact O-CG 3.37Å; C679-L683 PolarHBondContact O-N 2.75Å
680	A	91.7	Very high	91.8	Very high	46 Å²	46	86.6 Å²	86.6	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-64.6	-42.4	177.5	0	0	0	0	0	111.7	T676 F677 L683 L684	T676-A680 WeakPolarHBondContact O-CB 3.42Å; T676-A680 PolarHBondContact O-N 2.83Å; F677-A680 PolarHBondContact O-N 3.18Å; A680-L683 PolarHBondContact O-N 2.75Å; A680-L684 WeakPolarHBondContact O-CB 2.91Å; A680-L684 WeakPolarHBondContact O-CG 3.49Å; A680-L684 PolarHBondContact O-N 2.84Å
681	G	90.8	Very high	91.6	Very high	40 Å²	40	89.9 Å²	89.9	41%	0.412	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-41.9	176.7	0	0	0	0	0	112.8	F677 T678 L684 Y685	F677-G681 PolarHBondContact O-N 3.24Å; T678-G681 PolarHBondContact O-N 2.83Å; G681-L684 PolarHBondContact O-N 2.84Å; G681-Y685 WeakPolarHBondContact O-CB 3.47Å; G681-Y685 PolarHBondContact O-N 2.87Å
682	T	91.7	Very high	91.1	Very high	81 Å²	81	93.7 Å²	93.7	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-41.1	176	45.3	0	0	0	0	112.1	T678 C679 Y685 L686	T678-T682 WeakPolarHBondContact O-CB 3.33Å; T678-T682 WeakPolarHBondContact O-CG2 3.27Å; T678-T682 PolarHBondContact O-N 2.84Å; T678-T682 PolarHBondContact O-OG1 2.81Å; C679-T682 WeakPolarHBondContact CA-OG1 3.18Å; C679-T682 PolarHBondContact O-N 2.73Å; C679-T682 PolarHBondContact O-OG1 2.98Å; T682-Y685 PolarHBondContact O-N 3.13Å; T682-L686 VanDerWaalsContact O-CG 3.29Å; T682-L686 WeakPolarHBondContact O-CG 3.19Å; T682-L686 PolarHBondContact O-N 2.84Å
683	L	92.4	Very high	90.7	Very high	118 Å²	118	97.2 Å²	97.2	62%	0.618	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-43.5	174.4	-72.9	172.3	0	0	0	112.4	C679 A680 Y685 L686 A687	C679-L683 WeakPolarHBondContact O-CB 3.49Å; C679-L683 WeakPolarHBondContact O-CG 3.37Å; C679-L683 PolarHBondContact O-N 2.75Å; A680-L683 PolarHBondContact O-N 2.75Å; L683-Y685 VanDerWaalsContact C-N 3.34Å; L683-L686 PolarHBondContact O-N 3.46Å; L683-A687 WeakPolarHBondContact O-CB 3.4Å; L683-A687 PolarHBondContact O-N 3.14Å
684	L	91	Very high	90.3	Very high	128 Å²	128	102.3 Å²	102.3	67%	0.67	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-39.7	175.7	-74.4	172	0	0	0	111.9	A680 G681 A687 A688	A680-L684 WeakPolarHBondContact O-CB 2.91Å; A680-L684 WeakPolarHBondContact O-CG 3.49Å; A680-L684 PolarHBondContact O-N 2.84Å; G681-L684 PolarHBondContact O-N 2.84Å; L684-A687 PolarHBondContact O-N 3.45Å; L684-A688 WeakPolarHBondContact O-CB 3.19Å; L684-A688 PolarHBondContact O-N 3.08Å
685	Y	90.1	Very high	90	Very high	162 Å²	162	107.5 Å²	107.5	64%	0.635	54%	0.54	S	S	*	.	H	α-helix	trans	-61.8	-47.9	174.6	177.4	-97.6	0	0	0	111.5	G681 T682 L683 A687 A688 V689	G681-Y685 WeakPolarHBondContact O-CB 3.47Å; G681-Y685 PolarHBondContact O-N 2.87Å; T682-Y685 PolarHBondContact O-N 3.13Å; L683-Y685 VanDerWaalsContact C-N 3.34Å; Y685-A687 PolarHBondContact O-N 3.45Å; Y685-A688 PolarHBondContact O-N 3.13Å; Y685-V689 HydrophobicContact CD1-CG2 4.24Å; Y685-V689 HydrophobicContact CE1-CG2 3.83Å; Y685-V689 HydrophobicContact CE2-CG2 4.29Å; Y685-V689 WeakPolarHBondContact O-CG2 3.49Å; Y685-V689 PolarHBondContact O-N 3.17Å
686	L	91.7	Very high	89.4	Confident	107 Å²	107	108.2 Å²	108.2	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-61.1	-44	177	-70.3	172.4	0	0	0	111.7	T682 L683 A688 V689 E690	T682-L686 VanDerWaalsContact O-CG 3.29Å; T682-L686 WeakPolarHBondContact O-CG 3.19Å; T682-L686 PolarHBondContact O-N 2.84Å; L683-L686 PolarHBondContact O-N 3.46Å; L686-A688 VanDerWaalsContact C-N 3.33Å; L686-A688 PolarHBondContact O-N 3.11Å; L686-V689 PolarHBondContact O-N 3.34Å; L686-E690 PolarHBondContact O-N 3.17Å
687	A	89.3	Confident	89	Confident	57 Å²	57	110.6 Å²	110.6	47%	0.471	55%	0.551	S	S	.	*	H	α-helix	trans	-61.8	-39.5	175.7	0	0	0	0	0	112.2	L683 L684 Y685 E690 R691	L683-A687 WeakPolarHBondContact O-CB 3.4Å; L683-A687 PolarHBondContact O-N 3.14Å; L684-A687 PolarHBondContact O-N 3.45Å; Y685-A687 PolarHBondContact O-N 3.45Å; A687-E690 PolarHBondContact O-N 3.13Å; A687-R691 WeakPolarHBondContact O-CB 3.32Å; A687-R691 PolarHBondContact O-N 2.63Å
688	A	87.2	Confident	88.6	Confident	48 Å²	48	108.2 Å²	108.2	40%	0.397	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-40.9	176.2	0	0	0	0	0	112.3	L684 Y685 L686 R691 R692	L684-A688 WeakPolarHBondContact O-CB 3.19Å; L684-A688 PolarHBondContact O-N 3.08Å; Y685-A688 PolarHBondContact O-N 3.13Å; L686-A688 VanDerWaalsContact C-N 3.33Å; L686-A688 PolarHBondContact O-N 3.11Å; A688-R691 PolarHBondContact O-N 2.82Å; A688-R692 WeakPolarHBondContact O-CG 3.39Å; A688-R692 PolarHBondContact O-N 3.44Å
689	V	88.1	Confident	88.1	Confident	49 Å²	49	108.7 Å²	108.7	30%	0.297	54%	0.543	S	S	.	.	H	α-helix	trans	-62	-44.8	174.8	170.3	0	0	0	0	110.6	Y685 L686 R692 R693	Y685-V689 HydrophobicContact CD1-CG2 4.24Å; Y685-V689 HydrophobicContact CE1-CG2 3.83Å; Y685-V689 HydrophobicContact CE2-CG2 4.29Å; Y685-V689 WeakPolarHBondContact O-CG2 3.49Å; Y685-V689 PolarHBondContact O-N 3.17Å; L686-V689 PolarHBondContact O-N 3.34Å; V689-R692 PolarHBondContact O-N 3.49Å; V689-R693 PolarHBondContact O-N 3.3Å
690	E	89.5	Confident	87.6	Confident	101 Å²	101	112.3 Å²	112.3	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-39.9	178.6	-166	171.8	157.5	0	0	111.9	L686 A687 R692 R693 R694	L686-E690 PolarHBondContact O-N 3.17Å; A687-E690 PolarHBondContact O-N 3.13Å; E690-R692 VanDerWaalsContact C-N 3.32Å; E690-R692 PolarHBondContact O-N 3.39Å; E690-R693 PolarHBondContact O-N 3.24Å; E690-R694 PolarHBondContact O-N 3.4Å; E690-R694 IonicContact OE1-CZ 3.5Å; E690-R694 IonicContact OE1-NE 3.44Å; E690-R694 IonicContact OE1-NH2 3.02Å; E690-R694 PolarHBondContact OE1-NH2 3.08Å
691	R	87.7	Confident	87.1	Confident	177 Å²	177	112.8 Å²	112.8	67%	0.668	55%	0.551	S	S	*	*	H	α-helix	trans	-62.3	-38.5	175.2	-151.6	178.2	-153.8	-179.6	6.6	112	A687 A688 R695	A687-R691 WeakPolarHBondContact O-CB 3.32Å; A687-R691 PolarHBondContact O-N 2.63Å; A688-R691 PolarHBondContact O-N 2.82Å; R691-R695 WeakPolarHBondContact O-CG 3.35Å; R691-R695 PolarHBondContact O-N 3.1Å
692	R	85.4	Confident	86.8	Confident	198 Å²	198	115.5 Å²	115.5	75%	0.747	56%	0.556	S	S	*	*	H	α-helix	trans	-65.4	-43.8	173.1	-76.6	-175.2	-173.2	-174.5	3.1	111.8	A688 V689 E690 R695 A696	A688-R692 WeakPolarHBondContact O-CG 3.39Å; A688-R692 PolarHBondContact O-N 3.44Å; V689-R692 PolarHBondContact O-N 3.49Å; E690-R692 VanDerWaalsContact C-N 3.32Å; E690-R692 PolarHBondContact O-N 3.39Å; R692-R695 PolarHBondContact O-N 3.25Å; R692-A696 WeakPolarHBondContact O-CB 3.31Å; R692-A696 PolarHBondContact O-N 3.21Å
693	R	86.4	Confident	86.3	Confident	179 Å²	179	117.3 Å²	117.3	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-59.4	-46.3	175.3	-81.2	-174.8	177.5	179.2	-0.1	112	V689 E690 R695 A696 Q697	V689-R693 PolarHBondContact O-N 3.3Å; E690-R693 PolarHBondContact O-N 3.24Å; R693-R695 PolarHBondContact O-N 3.24Å; R693-A696 PolarHBondContact O-N 2.87Å; R693-Q697 WeakPolarHBondContact O-CG 3.49Å; R693-Q697 PolarHBondContact O-N 2.7Å
694	R	86.2	Confident	85.8	Confident	150 Å²	150	117 Å²	117	57%	0.566	55%	0.552	S	S	*	*	H	α-helix	trans	-61.5	-43.7	176.8	-70.5	-174.3	-168.6	-160.1	4.4	112	E690 A696 Q697 I698	E690-R694 PolarHBondContact O-N 3.4Å; E690-R694 IonicContact OE1-CZ 3.5Å; E690-R694 IonicContact OE1-NE 3.44Å; E690-R694 IonicContact OE1-NH2 3.02Å; E690-R694 PolarHBondContact OE1-NH2 3.08Å; R694-A696 PolarHBondContact O-N 3.41Å; R694-Q697 PolarHBondContact O-N 3.05Å; R694-I698 VanDerWaalsContact O-CG1 3.27Å; R694-I698 WeakPolarHBondContact O-CG1 3.45Å; R694-I698 PolarHBondContact O-N 3.05Å
695	R	85.3	Confident	85.3	Confident	163 Å²	163	115.3 Å²	115.3	62%	0.615	54%	0.541	S	S	*	.	H	α-helix	trans	-61.2	-42.1	174.8	-77.8	-178	177.6	-176.3	-1.2	112.3	R691 R692 R693 I698 N699	R691-R695 WeakPolarHBondContact O-CG 3.35Å; R691-R695 PolarHBondContact O-N 3.1Å; R692-R695 PolarHBondContact O-N 3.25Å; R693-R695 PolarHBondContact O-N 3.24Å; R695-I698 PolarHBondContact O-N 3.38Å; R695-N699 WeakPolarHBondContact O-CB 3.36Å; R695-N699 VanDerWaalsContact O-CG 3.24Å; R695-N699 PolarHBondContact O-N 3.01Å
696	A	81.9	Confident	84.9	Confident	61 Å²	61	112 Å²	112	50%	0.504	53%	0.534	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.8	0	0	0	0	0	111.9	R692 R693 R694 N699 Y700	R692-A696 WeakPolarHBondContact O-CB 3.31Å; R692-A696 PolarHBondContact O-N 3.21Å; R693-A696 PolarHBondContact O-N 2.87Å; R694-A696 PolarHBondContact O-N 3.41Å; A696-N699 PolarHBondContact O-N 3.14Å; A696-Y700 WeakPolarHBondContact O-CB 3.1Å; A696-Y700 PolarHBondContact O-N 3.29Å
697	Q	85	Confident	84.2	Confident	136 Å²	136	112.6 Å²	112.6	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-43.1	175.2	-74.5	177	-28.8	0	0	112.6	R693 R694 Y700 A701	R693-Q697 WeakPolarHBondContact O-CG 3.49Å; R693-Q697 PolarHBondContact O-N 2.7Å; R694-Q697 PolarHBondContact O-N 3.05Å; Q697-Y700 PolarHBondContact O-N 3.37Å; Q697-A701 WeakPolarHBondContact O-CB 3.5Å; Q697-A701 PolarHBondContact O-N 3.12Å
698	I	84.2	Confident	83.7	Confident	109 Å²	109	115.9 Å²	115.9	56%	0.559	54%	0.54	S	S	*	.	H	α-helix	trans	-62.9	-46.5	176.5	-68.2	164.8	0	0	0	110.5	R694 R695 Y700 A701 L702	R694-I698 VanDerWaalsContact O-CG1 3.27Å; R694-I698 WeakPolarHBondContact O-CG1 3.45Å; R694-I698 PolarHBondContact O-N 3.05Å; R695-I698 PolarHBondContact O-N 3.38Å; I698-Y700 VanDerWaalsContact C-N 3.33Å; I698-Y700 PolarHBondContact O-N 3.41Å; I698-A701 PolarHBondContact O-N 3.12Å; I698-L702 WeakPolarHBondContact O-CB 3.45Å; I698-L702 PolarHBondContact O-N 3.4Å
699	N	82.2	Confident	83.1	Confident	98 Å²	98	120.9 Å²	120.9	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-41	178.3	-72.6	-7.3	0	0	0	111.8	R695 A696 L702 Q703	R695-N699 WeakPolarHBondContact O-CB 3.36Å; R695-N699 VanDerWaalsContact O-CG 3.24Å; R695-N699 PolarHBondContact O-N 3.01Å; A696-N699 PolarHBondContact O-N 3.14Å; N699-L702 PolarHBondContact O-N 2.76Å; N699-Q703 PolarHBondContact O-N 2.9Å
700	Y	82.4	Confident	82.4	Confident	150 Å²	150	127.7 Å²	127.7	59%	0.588	57%	0.568	S	S	*	*	H	α-helix	trans	-63.8	-44.1	175.9	-179.5	-99.5	0	0	0	112.1	A696 Q697 I698 Q703 K704	A696-Y700 WeakPolarHBondContact O-CB 3.1Å; A696-Y700 PolarHBondContact O-N 3.29Å; Q697-Y700 PolarHBondContact O-N 3.37Å; I698-Y700 VanDerWaalsContact C-N 3.33Å; I698-Y700 PolarHBondContact O-N 3.41Å; Y700-Q703 PolarHBondContact O-N 2.99Å; Y700-K704 HydrophobicContact CE1-CD 4.45Å; Y700-K704 PolarHBondContact O-N 3.46Å
701	A	81.1	Confident	81.7	Confident	56 Å²	56	127.1 Å²	127.1	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-62.4	-43	176.5	0	0	0	0	0	112	Q697 I698 K704 E705	Q697-A701 WeakPolarHBondContact O-CB 3.5Å; Q697-A701 PolarHBondContact O-N 3.12Å; I698-A701 PolarHBondContact O-N 3.12Å; A701-K704 PolarHBondContact O-N 3.3Å; A701-E705 PolarHBondContact O-N 3.08Å
702	L	83.7	Confident	80.9	Confident	97 Å²	97	125 Å²	125	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-64.3	-41.6	178	-164.5	80.1	0	0	0	112	I698 N699 K704 E705 L706	I698-L702 WeakPolarHBondContact O-CB 3.45Å; I698-L702 PolarHBondContact O-N 3.4Å; N699-L702 PolarHBondContact O-N 2.76Å; L702-K704 VanDerWaalsContact C-N 3.34Å; L702-K704 PolarHBondContact O-N 3.48Å; L702-E705 PolarHBondContact O-N 2.89Å; L702-L706 HydrophobicContact CG-CD1 4.49Å; L702-L706 WeakPolarHBondContact O-CG 3.4Å; L702-L706 PolarHBondContact O-N 3.14Å
703	Q	81.4	Confident	80.2	Confident	120 Å²	120	121.2 Å²	121.2	56%	0.561	56%	0.562	S	S	*	*	H	α-helix	trans	-60.6	-43.8	174.4	-101.9	178.3	-59.4	0	0	111.7	N699 Y700 E705 L706 E707	N699-Q703 PolarHBondContact O-N 2.9Å; Y700-Q703 PolarHBondContact O-N 2.99Å; Q703-E705 VanDerWaalsContact C-N 3.33Å; Q703-E705 PolarHBondContact O-N 2.78Å; Q703-L706 PolarHBondContact O-N 2.85Å; Q703-E707 WeakPolarHBondContact O-CG 3.41Å; Q703-E707 PolarHBondContact O-N 3.02Å
704	K	81.6	Confident	79.3	Confident	110 Å²	110	117.1 Å²	117.1	48%	0.478	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-37.3	-179.9	-156.6	176	-175.1	179.7	0	112.3	Y700 A701 L702 Q708	Y700-K704 HydrophobicContact CE1-CD 4.45Å; Y700-K704 PolarHBondContact O-N 3.46Å; A701-K704 PolarHBondContact O-N 3.3Å; L702-K704 VanDerWaalsContact C-N 3.34Å; L702-K704 PolarHBondContact O-N 3.48Å; K704-Q708 WeakPolarHBondContact O-CG 3.33Å; K704-Q708 PolarHBondContact O-N 2.8Å
705	E	81.3	Confident	78.2	Confident	93 Å²	93	114.3 Å²	114.3	44%	0.435	57%	0.565	S	S	.	*	H	α-helix	trans	-69.3	-39.3	175.7	-155.4	-170.6	153.8	0	0	111.9	A701 L702 Q703 Q708 R709	A701-E705 PolarHBondContact O-N 3.08Å; L702-E705 PolarHBondContact O-N 2.89Å; Q703-E705 VanDerWaalsContact C-N 3.33Å; Q703-E705 PolarHBondContact O-N 2.78Å; E705-Q708 PolarHBondContact O-N 3.38Å; E705-R709 WeakPolarHBondContact O-CG 3.4Å; E705-R709 PolarHBondContact O-N 2.81Å; E705-R709 IonicContact OE1-CZ 3.81Å; E705-R709 IonicContact OE1-NE 3.7Å; E705-R709 IonicContact OE1-NH2 2.67Å; E705-R709 PolarHBondContact OE1-NH2 3.27Å
706	L	80.3	Confident	76.8	Confident	94 Å²	94	115 Å²	115	49%	0.492	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-38.8	174.4	-75.6	167.4	0	0	0	112.4	L702 Q703 R709 R710	L702-L706 HydrophobicContact CG-CD1 4.49Å; L702-L706 WeakPolarHBondContact O-CG 3.4Å; L702-L706 PolarHBondContact O-N 3.14Å; Q703-L706 PolarHBondContact O-N 2.85Å; L706-R709 PolarHBondContact O-N 3.05Å; L706-R710 WeakPolarHBondContact O-CG 3.48Å; L706-R710 PolarHBondContact O-N 2.94Å
707	E	78.5	Confident	76.5	Confident	119 Å²	119	117.7 Å²	117.7	56%	0.556	58%	0.583	S	S	*	*	H	α-helix	trans	-64.1	-43.7	173.6	-77	175.8	179.3	0	0	111.6	Q703 R709 R710 T711	Q703-E707 WeakPolarHBondContact O-CG 3.41Å; Q703-E707 PolarHBondContact O-N 3.02Å; E707-R709 PolarHBondContact O-N 3.19Å; E707-R710 PolarHBondContact O-N 3.31Å; E707-T711 PolarHBondContact O-N 3.45Å; E707-T711 PolarHBondContact O-OG1 3.26Å
708	Q	77.5	Confident	76	Confident	126 Å²	126	116.7 Å²	116.7	59%	0.589	58%	0.581	S	S	*	*	H	α-helix	trans	-61.5	-41.9	175.9	-78.4	-177.9	-29.2	0	0	112.6	K704 E705 T711 F712	K704-Q708 WeakPolarHBondContact O-CG 3.33Å; K704-Q708 PolarHBondContact O-N 2.8Å; E705-Q708 PolarHBondContact O-N 3.38Å; Q708-T711 WeakPolarHBondContact CA-OG1 3.49Å; Q708-T711 PolarHBondContact O-N 3.16Å; Q708-T711 PolarHBondContact O-OG1 3.06Å; Q708-F712 PolarHBondContact O-N 3.27Å
709	R	75.6	Confident	75.6	Confident	152 Å²	152	117.2 Å²	117.2	57%	0.574	58%	0.582	S	S	*	*	H	α-helix	trans	-64.2	-42.2	175.9	-72.3	-177.7	-170.9	-141.6	5.1	112.1	E705 L706 E707 T711 F712 D713	E705-R709 WeakPolarHBondContact O-CG 3.4Å; E705-R709 PolarHBondContact O-N 2.81Å; E705-R709 IonicContact OE1-CZ 3.81Å; E705-R709 IonicContact OE1-NE 3.7Å; E705-R709 IonicContact OE1-NH2 2.67Å; E705-R709 PolarHBondContact OE1-NH2 3.27Å; L706-R709 PolarHBondContact O-N 3.05Å; E707-R709 PolarHBondContact O-N 3.19Å; R709-T711 VanDerWaalsContact C-N 3.32Å; R709-T711 PolarHBondContact O-N 3.47Å; R709-F712 PolarHBondContact O-N 2.92Å; R709-D713 PolarHBondContact O-N 3.15Å
710	R	73.8	Confident	75.2	Confident	192 Å²	192	118.3 Å²	118.3	73%	0.725	59%	0.585	S	S	*	*	H	α-helix	trans	-61.3	-38.3	175.5	-77.1	178.6	178	-179.5	-0.4	112.7	L706 E707 S714	L706-R710 WeakPolarHBondContact O-CG 3.48Å; L706-R710 PolarHBondContact O-N 2.94Å; E707-R710 PolarHBondContact O-N 3.31Å; R710-S714 PolarHBondContact O-N 3.45Å; R710-S714 PolarHBondContact O-OG 3.24Å
711	T	73.4	Confident	74.8	Confident	89 Å²	89	116.3 Å²	116.3	55%	0.546	59%	0.585	S	S	.	*	H	α-helix	trans	-69.7	-34.6	176.1	50.2	0	0	0	0	112.8	E707 Q708 R709 S714 S715	E707-T711 PolarHBondContact O-N 3.45Å; E707-T711 PolarHBondContact O-OG1 3.26Å; Q708-T711 WeakPolarHBondContact CA-OG1 3.49Å; Q708-T711 PolarHBondContact O-N 3.16Å; Q708-T711 PolarHBondContact O-OG1 3.06Å; R709-T711 VanDerWaalsContact C-N 3.32Å; R709-T711 PolarHBondContact O-N 3.47Å; T711-S714 PolarHBondContact O-N 3.42Å; T711-S714 PolarHBondContact O-OG 3.15Å; T711-S715 PolarHBondContact O-N 3.32Å
712	F	71.9	Confident	74.3	Confident	133 Å²	133	120.3 Å²	120.3	58%	0.583	59%	0.593	S	S	*	*	H	α-helix	trans	-68.4	-45.7	177.2	-167.6	-98.1	0	0	0	111.5	Q708 R709 S714 S715 L716	Q708-F712 PolarHBondContact O-N 3.27Å; R709-F712 PolarHBondContact O-N 2.92Å; F712-S714 PolarHBondContact O-N 3.17Å; F712-S715 PolarHBondContact O-N 3.11Å; F712-S715 PolarHBondContact O-OG 3.22Å; F712-L716 HydrophobicContact CD1-CD1 3.93Å; F712-L716 HydrophobicContact CE1-CD1 3.47Å; F712-L716 VanDerWaalsContact CE1-CD1 3.47Å; F712-L716 HydrophobicContact CZ-CD1 4.16Å; F712-L716 PolarHBondContact O-N 3.43Å
713	D	70	Confident	73.7	Confident	118 Å²	118	122 Å²	122	63%	0.631	60%	0.599	S	S	*	*	H	α-helix	trans	-65.6	-22.6	177.3	-73.7	-17.9	0	0	0	113.1	R709	R709-D713 PolarHBondContact O-N 3.15Å
714	S	68.9	Low	73.1	Confident	94 Å²	94	122.2 Å²	122.2	66%	0.657	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-10.7	173.1	65.4	0	0	0	0	114.7	R710 T711 F712	R710-S714 PolarHBondContact O-N 3.45Å; R710-S714 PolarHBondContact O-OG 3.24Å; T711-S714 PolarHBondContact O-N 3.42Å; T711-S714 PolarHBondContact O-OG 3.15Å; F712-S714 PolarHBondContact O-N 3.17Å
715	S	63	Low	72.4	Confident	91 Å²	91	123.2 Å²	123.2	64%	0.636	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-14.7	-178.3	67.2	0	0	0	0	114.2	T711 F712	T711-S715 PolarHBondContact O-N 3.32Å; F712-S715 PolarHBondContact O-N 3.11Å; F712-S715 PolarHBondContact O-OG 3.22Å
716	L	54.2	Low	71.5	Confident	177 Å²	177	125.9 Å²	125.9	93%	0.927	63%	0.629	S	S	*	*			trans	-87.4	0	165.9	-89.2	152.5	0	0	0	109.5	F712	F712-L716 HydrophobicContact CD1-CD1 3.93Å; F712-L716 HydrophobicContact CE1-CD1 3.47Å; F712-L716 VanDerWaalsContact CE1-CD1 3.47Å; F712-L716 HydrophobicContact CZ-CD1 4.16Å; F712-L716 PolarHBondContact O-N 3.43Å

Retrieved 716 of 716 residues in 338.1 ms (Link to these results)

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