A0A077ZBT5_TRITR Loading...

Glyco hydro 4 and Glyco hydro 4C domain containin g protein

AlphaFold DB , UniProt , Accession A0A077ZBT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 520 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	28.8	Very low	27.8	Very low	244 Å²	244	160.7 Å²	160.7	100%	1.202	85%	0.851	S	S	*	*				0	125.6	0	-80.5	-175.3	-178.7	0	0	107.4
2	A	30.5	Very low	27.5	Very low	99 Å²	99	161.7 Å²	161.7	82%	0.818	85%	0.847	S	S	*	*			trans	56.8	110	172.6	0	0	0	0	0	115.2
3	G	27	Very low	27.9	Very low	77 Å²	77	161.5 Å²	161.5	79%	0.794	84%	0.838	S	S	*	*				82.8	82.8	53.2	0	0	0	0	0	108.4
4	V	29.8	Very low	27.9	Very low	148 Å²	148	155.3 Å²	155.3	90%	0.897	83%	0.833	S	S	*	*			trans	-122.3	124.4	169.7	-178.2	0	0	0	0	106.9
5	R	30	Very low	28	Very low	228 Å²	228	159 Å²	159	86%	0.86	84%	0.839	S	S	*	*			trans	-74.3	137.5	-167.6	-70.8	170.3	170.5	-178.3	-6.3	111.6
6	E	27.1	Very low	28.1	Very low	185 Å²	185	160.3 Å²	160.3	86%	0.864	84%	0.839	S	S	*	*			trans	-66.5	125.9	145.7	-72.1	170.1	146	0	0	107.2
7	D	27.5	Very low	28.3	Very low	141 Å²	141	158 Å²	158	75%	0.754	84%	0.836	S	S	*	*			trans	-177.4	150.3	149.9	-84.2	-29.7	0	0	0	107.6
8	D	26.4	Very low	28.5	Very low	146 Å²	146	158.3 Å²	158.3	78%	0.781	84%	0.837	S	S	*	*			trans	92	72.8	171.9	-50.9	-20.4	0	0	0	117.3
9	C	27.2	Very low	28.8	Very low	113 Å²	113	156.3 Å²	156.3	76%	0.764	83%	0.834	S	S	*	*			trans	-130	68.5	148.3	-89.1	0	0	0	0	109.4	W11	C9-W11 PolarHBondContact O-N 3Å
10	E	25.1	Very low	28.8	Very low	176 Å²	176	161.4 Å²	161.4	82%	0.822	84%	0.841	S	S	*	*			trans	-69.9	104.6	162.2	-72.9	-175.2	156	0	0	109
11	W	26.5	Very low	28.9	Very low	211 Å²	211	157.2 Å²	157.2	80%	0.799	84%	0.837	S	S	*	*			trans	-99.4	81.6	168.3	-73.7	87	0	0	0	109.3	C9	C9-W11 PolarHBondContact O-N 3Å
12	E	24.2	Very low	29	Very low	172 Å²	172	150 Å²	150	80%	0.804	82%	0.817	S	S	*	*			trans	-81.8	103.6	162	-77.3	-166.1	154.2	0	0	109.6
13	H	32.4	Very low	28.8	Very low	160 Å²	160	157.2 Å²	157.2	74%	0.741	82%	0.823	S	S	*	*			trans	-132.2	104.2	154.6	-82	-54	0	0	0	109.8
14	G	28.4	Very low	29	Very low	74 Å²	74	157.4 Å²	157.4	76%	0.763	83%	0.825	S	S	*	*			trans	-63.3	128.9	-177.3	0	0	0	0	0	113.3
15	F	28.8	Very low	28.9	Very low	211 Å²	211	158 Å²	158	93%	0.925	82%	0.822	S	S	*	*			trans	-83.2	111.6	161.5	-85.1	-92.4	0	0	0	109
16	H	30.2	Very low	29	Very low	179 Å²	179	152.6 Å²	152.6	83%	0.829	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.3	134.1	168.3	-82	-80.1	0	0	0	110.5
17	P	32.1	Very low	29.1	Very low	122 Å²	122	151.2 Å²	151.2	79%	0.792	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.4	129.1	-175.8	31.4	-32.2	0	0	0	111.5
18	L	31.7	Very low	29	Very low	163 Å²	163	153.1 Å²	153.1	85%	0.853	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.6	149.7	170.9	-75.7	166.1	0	0	0	111.4
19	P	33.7	Very low	29.2	Very low	120 Å²	120	155.2 Å²	155.2	78%	0.779	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.9	139.5	-166.7	14.5	-3.4	0	0	0	113
20	R	29	Very low	29.2	Very low	258 Å²	258	158.6 Å²	158.6	97%	0.974	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-64.3	128.4	171.1	-67.7	177.9	178.4	-169.8	-1.6	111
21	G	31	Very low	29.5	Very low	74 Å²	74	154.8 Å²	154.8	76%	0.763	82%	0.818	S	S	*	*			trans	-153.1	97.9	169.2	0	0	0	0	0	112.3
22	A	30.5	Very low	29.7	Very low	94 Å²	94	153.5 Å²	153.5	78%	0.777	82%	0.821	S	S	*	*			trans	39.3	102.8	155.1	0	0	0	0	0	119.2
23	R	27	Very low	29.9	Very low	250 Å²	250	153.5 Å²	153.5	94%	0.943	83%	0.827	S	S	*	*				59.5	102.2	92.1	-72.5	-169.6	-170	-170.5	3.2	115
24	G	30.9	Very low	29.7	Very low	81 Å²	81	151 Å²	151	84%	0.835	83%	0.827	S	S	*	*			trans	-146.7	107.4	153.3	0	0	0	0	0	108.2
25	L	27.4	Very low	29.7	Very low	160 Å²	160	151.8 Å²	151.8	84%	0.838	83%	0.827	S	S	*	*			trans	-82.2	133.8	-179.3	-77.2	149.1	0	0	0	110.2
26	S	32	Very low	29.6	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	83%	0.826	S	S	*	*			trans	-156.1	80.7	151.9	60.8	0	0	0	0	106.5
27	E	29.5	Very low	29.5	Very low	156 Å²	156	152 Å²	152	73%	0.729	83%	0.828	S	S	*	*				53.6	99.9	94.5	-75.7	-157.9	164.1	0	0	115.1
28	Y	25.9	Very low	29.3	Very low	181 Å²	181	153.6 Å²	153.6	71%	0.71	83%	0.83	S	S	*	*			trans	64.2	113.6	137	-63.8	-77.6	0	0	0	120.3
29	H	29.2	Very low	29.2	Very low	190 Å²	190	154.6 Å²	154.6	88%	0.88	84%	0.835	S	S	*	*				-166	103	102.9	-97.2	-69.4	0	0	0	109.9
30	E	28.4	Very low	29	Very low	183 Å²	183	153 Å²	153	86%	0.855	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-74.7	119.5	165	-77.4	175.8	150	0	0	108.5
31	A	31.2	Very low	29	Very low	96 Å²	96	148.3 Å²	148.3	79%	0.793	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92.3	118.3	165.6	0	0	0	0	0	107.9	N33	A31-N33 PolarHBondContact O-N 3.41Å
32	E	30.2	Very low	28.8	Very low	184 Å²	184	157 Å²	157	86%	0.86	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-60.3	119.9	-175.8	-68	172.7	141.5	0	0	112	S34	E32-S34 PolarHBondContact O-N 3.45Å
33	N	29	Very low	28.7	Very low	173 Å²	173	160.4 Å²	160.4	93%	0.925	83%	0.83	S	S	*	*			trans	-76.9	97.8	164.5	-87	-33.7	0	0	0	109.2	A31	A31-N33 PolarHBondContact O-N 3.41Å
34	S	27.2	Very low	28.6	Very low	106 Å²	106	155.1 Å²	155.1	74%	0.741	83%	0.83	S	S	*	*			trans	-136.6	82.2	168	69.3	0	0	0	0	111.1	E32	E32-S34 PolarHBondContact O-N 3.45Å
35	A	29.6	Very low	28.5	Very low	91 Å²	91	155.8 Å²	155.8	75%	0.752	82%	0.822	S	S	*	*			trans	-159.1	58.4	165.8	0	0	0	0	0	111.2
36	F	27.1	Very low	28.8	Very low	209 Å²	209	154.2 Å²	154.2	92%	0.917	82%	0.819	S	S	*	*			trans	-142.4	84.9	166.7	-94.8	-81.7	0	0	0	108.9
37	Q	26.3	Very low	28.5	Very low	186 Å²	186	160.9 Å²	160.9	87%	0.869	83%	0.827	S	S	*	*			trans	179.2	101	157.5	-102.3	162.1	22.7	0	0	107.7
38	D	29.5	Very low	28.5	Very low	155 Å²	155	162.9 Å²	162.9	83%	0.829	83%	0.833	S	S	*	*			trans	174	75.9	143	-88.7	-16.8	0	0	0	109.4
39	L	28	Very low	29	Very low	184 Å²	184	159.2 Å²	159.2	96%	0.963	83%	0.832	S	S	*	*			trans	-107.4	68.2	160.6	-78	169.4	0	0	0	107.8	L41	L39-L41 PolarHBondContact O-N 3.34Å
40	S	30.7	Very low	29.1	Very low	88 Å²	88	158.2 Å²	158.2	62%	0.615	83%	0.827	S	S	*	*			trans	-84.8	102	169.9	61.1	0	0	0	0	109.9	W42	S40-W42 PolarHBondContact O-N 3.2Å
41	L	28.4	Very low	29.3	Very low	159 Å²	159	156.2 Å²	156.2	83%	0.832	83%	0.827	S	S	*	*			trans	20.3	95.1	141.5	-69.1	156.9	0	0	0	115.9	L39 E43	L39-L41 PolarHBondContact O-N 3.34Å; L41-E43 PolarHBondContact O-N 3.39Å; L41-E43 VanDerWaalsContact O-N 3.17Å
42	W	27	Very low	29.2	Very low	257 Å²	257	160.8 Å²	160.8	97%	0.973	83%	0.83	S	S	*	*			trans	-77.7	93.8	162.2	-82.8	62.3	0	0	0	109.2	S40 C44	S40-W42 PolarHBondContact O-N 3.2Å; W42-C44 PolarHBondContact O-N 2.94Å
43	E	27.9	Very low	29.1	Very low	165 Å²	165	156.6 Å²	156.6	77%	0.771	82%	0.82	S	S	*	*			trans	-71.6	115.8	168.3	-76.3	-175.5	154.1	0	0	110.3	L41 S45	L41-E43 PolarHBondContact O-N 3.39Å; L41-E43 VanDerWaalsContact O-N 3.17Å; E43-S45 PolarHBondContact O-N 2.75Å
44	C	25.2	Very low	29.2	Very low	139 Å²	139	159.5 Å²	159.5	94%	0.939	82%	0.817	S	S	*	*			trans	-66.7	93.2	175.5	-166	0	0	0	0	110	W42	W42-C44 PolarHBondContact O-N 2.94Å
45	S	29.6	Very low	29.4	Very low	95 Å²	95	162.7 Å²	162.7	66%	0.664	82%	0.818	S	S	*	*			trans	-108.4	109.8	178.5	51.8	0	0	0	0	112.2	E43	E43-S45 PolarHBondContact O-N 2.75Å
46	T	32.7	Very low	29.7	Very low	127 Å²	127	163.3 Å²	163.3	78%	0.779	82%	0.823	S	S	*	*			trans	55.1	100.6	146.4	58.9	0	0	0	0	118.7	K48	T46-K48 PolarHBondContact O-N 2.76Å
47	W	25.9	Very low	30	Very low	254 Å²	254	157.2 Å²	157.2	96%	0.962	81%	0.806	S	S	*	*			trans	-48	120.4	156.8	-86.2	52	0	0	0	112.2
48	K	30	Very low	30.9	Very low	198 Å²	198	155.8 Å²	155.8	86%	0.861	80%	0.799	S	S	*	*			trans	-118	124	155.6	-85.6	-171.5	176.5	179.8	0	108.9	T46	T46-K48 PolarHBondContact O-N 2.76Å
49	P	36.4	Very low	31.5	Very low	105 Å²	105	154.9 Å²	154.9	68%	0.682	79%	0.794	S	S	*	*			trans	-80.4	163.9	177.5	34.7	-32.4	0	0	0	110.4
50	E	31	Very low	32.2	Very low	169 Å²	169	153.1 Å²	153.1	79%	0.79	78%	0.781	S	S	*	*			trans	87.4	70.5	168.4	-52.8	174.6	-177.2	0	0	116.8
51	V	32.4	Very low	32.9	Very low	140 Å²	140	153.7 Å²	153.7	85%	0.848	78%	0.78	S	S	*	*			trans	-121.3	95.7	143.2	-176.2	0	0	0	0	107.6	C53	V51-C53 VanDerWaalsContact C-N 3.26Å; V51-C53 PolarHBondContact O-N 3.49Å
52	F	28.2	Very low	33.6	Very low	193 Å²	193	149.7 Å²	149.7	85%	0.846	76%	0.759	S	S	*	*			trans	-64.8	84	170.9	-104.1	-92.2	0	0	0	109.3	R54	F52-R54 PolarHBondContact O-N 2.96Å
53	C	28.2	Very low	34.3	Very low	96 Å²	96	144.2 Å²	144.2	65%	0.649	74%	0.744	S	S	*	*			trans	-82.9	94.3	168.9	-143.8	0	0	0	0	108.4	V51 F55	V51-C53 VanDerWaalsContact C-N 3.26Å; V51-C53 PolarHBondContact O-N 3.49Å; C53-F55 VanDerWaalsContact C-N 3.29Å; C53-F55 PolarHBondContact O-N 2.87Å
54	R	31.1	Very low	35.1	Very low	233 Å²	233	139.8 Å²	139.8	88%	0.879	74%	0.736	S	S	*	*			trans	-68.4	87.2	165.3	-77.3	-177.1	177.4	-170.4	-0.4	108.7	F52	F52-R54 PolarHBondContact O-N 2.96Å
55	F	32.3	Very low	35.9	Very low	174 Å²	174	136.8 Å²	136.8	76%	0.763	72%	0.716	S	S	*	*			trans	-120	110.2	157.9	-86.7	-84.6	0	0	0	108.8	C53 C57	C53-F55 VanDerWaalsContact C-N 3.29Å; C53-F55 PolarHBondContact O-N 2.87Å; F55-C57 PolarHBondContact O-N 3.47Å
56	A	35.6	Very low	36.3	Very low	104 Å²	104	138.9 Å²	138.9	86%	0.86	72%	0.715	S	S	*	*			trans	-65.5	95.6	168.8	0	0	0	0	0	108.6
57	C	34.1	Very low	36.6	Very low	81 Å²	81	140.4 Å²	140.4	55%	0.547	71%	0.714	S	S	.	*			trans	-154.2	84.2	162.3	-91.1	0	0	0	0	105.8	F55	F55-C57 PolarHBondContact O-N 3.47Å
58	H	44	Very low	37.5	Very low	156 Å²	156	134.2 Å²	134.2	72%	0.722	70%	0.698	S	S	*	*			trans	-115	3.4	-177.2	-121.9	64.9	0	0	0	114.7	I62	H58-I62 WeakPolarHBondContact O-CD1 3.34Å
59	D	42.8	Very low	38.3	Very low	136 Å²	136	130 Å²	130	73%	0.727	69%	0.692	S	S	*	*	S	Bend	trans	-112.2	-36.6	177.3	-67	-32.5	0	0	0	113.1	I62 Q63	D59-I62 PolarHBondContact O-N 3.34Å; D59-Q63 PolarHBondContact O-N 3.35Å
60	E	42.4	Very low	38.9	Very low	147 Å²	147	133.3 Å²	133.3	69%	0.687	70%	0.701	S	S	*	*	H	α-helix	trans	-73.7	-32.3	-177.9	-72.9	-177.6	167	0	0	113.7	I62 Q63 A64	E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 3.31Å; E60-Q63 PolarHBondContact O-N 3.11Å; E60-A64 WeakPolarHBondContact O-CB 3.18Å; E60-A64 PolarHBondContact O-N 3Å
61	V	44.8	Very low	40.1	Very low	99 Å²	99	130.7 Å²	130.7	60%	0.6	69%	0.69	S	S	*	*	H	α-helix	trans	-73.8	-26.7	178	178.6	0	0	0	0	111.7	S65	V61-S65 PolarHBondContact O-N 3.27Å; V61-S65 VanDerWaalsContact O-N 3.16Å; V61-S65 PolarHBondContact O-OG 3.04Å
62	I	44.8	Very low	42.5	Very low	75 Å²	75	128.1 Å²	128.1	39%	0.385	68%	0.678	S	S	.	*	H	α-helix	trans	-76.1	-37.6	174	-61.2	-178.2	0	0	0	110.1	H58 D59 E60 S65 Q66	H58-I62 WeakPolarHBondContact O-CD1 3.34Å; D59-I62 PolarHBondContact O-N 3.34Å; E60-I62 VanDerWaalsContact C-N 3.32Å; E60-I62 PolarHBondContact O-N 3.31Å; I62-S65 WeakPolarHBondContact CA-OG 3.44Å; I62-S65 PolarHBondContact O-N 3.28Å; I62-S65 PolarHBondContact O-OG 3.31Å; I62-Q66 HydrophobicContact CG2-CG 4.19Å; I62-Q66 VanDerWaalsContact O-CB 3.23Å; I62-Q66 WeakPolarHBondContact O-CB 3.31Å; I62-Q66 WeakPolarHBondContact O-CG 3.43Å; I62-Q66 PolarHBondContact O-N 3.46Å
63	Q	41.1	Very low	45.6	Very low	143 Å²	143	121.1 Å²	121.1	67%	0.668	66%	0.656	S	S	*	*	H	α-helix	trans	-67.6	-37.7	172.5	-82.6	-175.7	-30.3	0	0	112.9	D59 E60 S65 Q66 E67	D59-Q63 PolarHBondContact O-N 3.35Å; E60-Q63 PolarHBondContact O-N 3.11Å; Q63-S65 VanDerWaalsContact C-N 3.25Å; Q63-S65 PolarHBondContact O-N 3.07Å; Q63-Q66 CarbonylContact O-C 3.58Å; Q63-Q66 PolarHBondContact O-N 3.26Å; Q63-E67 PolarHBondContact O-N 3.44Å
64	A	43.5	Very low	48.9	Very low	71 Å²	71	116.5 Å²	116.5	59%	0.587	63%	0.625	S	S	*	*	H	α-helix	trans	-70.9	-17.9	175.5	0	0	0	0	0	113.9	E60	E60-A64 WeakPolarHBondContact O-CB 3.18Å; E60-A64 PolarHBondContact O-N 3Å
65	S	42.8	Very low	52.1	Low	76 Å²	76	106.5 Å²	106.5	53%	0.531	59%	0.588	S	S	.	*	H	α-helix	trans	-98.6	-15.4	172.3	51.7	0	0	0	0	113.5	V61 I62 Q63 I68	V61-S65 PolarHBondContact O-N 3.27Å; V61-S65 VanDerWaalsContact O-N 3.16Å; V61-S65 PolarHBondContact O-OG 3.04Å; I62-S65 WeakPolarHBondContact CA-OG 3.44Å; I62-S65 PolarHBondContact O-N 3.28Å; I62-S65 PolarHBondContact O-OG 3.31Å; Q63-S65 VanDerWaalsContact C-N 3.25Å; Q63-S65 PolarHBondContact O-N 3.07Å; S65-I68 PolarHBondContact O-N 3.3Å
66	Q	38	Very low	55.3	Low	139 Å²	139	98.2 Å²	98.2	65%	0.65	55%	0.552	S	S	*	*	H	α-helix	trans	-99	-7.8	173.6	-73	-170.9	-14	0	0	114.3	I62 Q63 I68	I62-Q66 HydrophobicContact CG2-CG 4.19Å; I62-Q66 VanDerWaalsContact O-CB 3.23Å; I62-Q66 WeakPolarHBondContact O-CB 3.31Å; I62-Q66 WeakPolarHBondContact O-CG 3.43Å; I62-Q66 PolarHBondContact O-N 3.46Å; Q63-Q66 CarbonylContact O-C 3.58Å; Q63-Q66 PolarHBondContact O-N 3.26Å; Q66-I68 PolarHBondContact O-N 3.1Å
67	E	39.4	Very low	58.3	Low	159 Å²	159	93.3 Å²	93.3	74%	0.743	51%	0.511	S	S	*	.	S	Bend		-61.8	61.7	129.8	-73.5	-176.5	173.1	0	0	107.8	Q63 C69	Q63-E67 PolarHBondContact O-N 3.44Å; E67-C69 VanDerWaalsContact C-N 3.27Å; E67-C69 PolarHBondContact O-N 2.85Å
68	I	44.8	Very low	61.3	Low	125 Å²	125	89.4 Å²	89.4	64%	0.641	49%	0.485	S	S	*	.			trans	-41.4	111	147.7	-66.9	165.1	0	0	0	101.6	S65 Q66 M70	S65-I68 PolarHBondContact O-N 3.3Å; Q66-I68 PolarHBondContact O-N 3.1Å; I68-M70 WeakPolarHBondContact O-CA 3.47Å; I68-M70 WeakPolarHBondContact O-CG 3.47Å; I68-M70 PolarHBondContact O-N 2.98Å
69	C	46.1	Very low	63.9	Low	108 Å²	108	82.3 Å²	82.3	73%	0.73	45%	0.452	S	S	*	.			trans	-45.4	90.6	177.6	-175.8	0	0	0	0	106.4	E67 M71	E67-C69 VanDerWaalsContact C-N 3.27Å; E67-C69 PolarHBondContact O-N 2.85Å; C69-M71 PolarHBondContact O-N 2.51Å
70	M	49.6	Very low	66.4	Low	176 Å²	176	76.1 Å²	76.1	87%	0.867	42%	0.42	S	S	*	.			trans	-77.1	87.7	-177.5	-86	-154.9	-81.4	0	0	100.3	I68 S72	I68-M70 WeakPolarHBondContact O-CA 3.47Å; I68-M70 WeakPolarHBondContact O-CG 3.47Å; I68-M70 PolarHBondContact O-N 2.98Å; M70-S72 PolarHBondContact O-N 3.45Å
71	M	56.2	Low	68.8	Low	113 Å²	113	69.1 Å²	69.1	56%	0.557	39%	0.387	S	S	*	.			trans	-44.1	121.1	173.4	-72.9	179.7	175.5	0	0	105.6	C69 A73 W405	C69-M71 PolarHBondContact O-N 2.51Å; M71-A73 PolarHBondContact O-N 2.94Å; M71-W405 HydrophobicContact CB-CZ2 4.38Å
72	S	83	Confident	70.7	Confident	87 Å²	87	64.5 Å²	64.5	61%	0.608	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-49.6	134.3	175.7	48.9	0	0	0	0	108	M70 W405	M70-S72 PolarHBondContact O-N 3.45Å; S72-W405 WeakPolarHBondContact O-CH2 3.37Å; S72-W405 WeakPolarHBondContact O-CZ2 3.38Å
73	A	93.2	Very high	72.5	Confident	45 Å²	45	62.4 Å²	62.4	37%	0.372	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-61.3	135.3	-179.4	0	0	0	0	0	110.7	M71 T102	M71-A73 PolarHBondContact O-N 2.94Å; A73-T102 WeakPolarHBondContact CB-O 3.33Å
74	P	97.4	Very high	74.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-69.1	145.7	178.7	26.2	-31.5	0	0	0	110.7	L100 A103 H104 D149 F150 W405	P74-L100 HydrophobicContact CG-CD2 3.78Å; P74-A103 HydrophobicContact CG-CB 4.05Å; P74-A103 CarbonylContact O-C 3.57Å; P74-A103 VanDerWaalsContact O-CA 3.26Å; P74-A103 WeakPolarHBondContact O-CA 3.34Å; P74-A103 WeakPolarHBondContact O-CB 3.28Å; P74-H104 PolarHBondContact O-N 2.87Å; P74-D149 VanDerWaalsContact CA-OD2 3.25Å; P74-D149 WeakPolarHBondContact CA-OD2 3.48Å; P74-D149 HydrophobicContact CB-CB 4.43Å; P74-F150 HydrophobicContact CB-CD2 4.32Å; P74-F150 HydrophobicContact CB-CE2 4.07Å; P74-W405 HydrophobicContact CB-CD2 3.88Å; P74-W405 HydrophobicContact CB-CE3 3.75Å; P74-W405 HydrophobicContact CB-CH2 4.1Å; P74-W405 HydrophobicContact CB-CZ2 4.28Å; P74-W405 HydrophobicContact CB-CZ3 3.82Å; P74-W405 HydrophobicContact CG-CD2 4Å; P74-W405 HydrophobicContact CG-CE3 4.38Å; P74-W405 HydrophobicContact CG-CG 4.37Å
75	K	98.5	Very high	76	Confident	23 Å²	23	55.3 Å²	55.3	10%	0.1	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119	167.7	-176.3	177.9	176.4	-171.2	0	110.2	H104 A144 E146 D149 F150	K75-H104 CarbonylContact C-O 3.52Å; K75-H104 WeakPolarHBondContact CA-O 3.49Å; K75-H104 HydrophobicContact CB-CB 4.38Å; K75-H104 HydrophobicContact CG-CB 4.37Å; K75-A144 VanDerWaalsContact CE-O 3.23Å; K75-A144 WeakPolarHBondContact CE-O 3.4Å; K75-A144 PolarHBondContact NZ-O 3.09Å; K75-E146 WeakPolarHBondContact CD-O 3.3Å; K75-E146 WeakPolarHBondContact CE-O 3.36Å; K75-E146 PolarHBondContact NZ-O 3.41Å; K75-D149 PolarHBondContact N-OD2 3.48Å; K75-D149 PolarHBondContact O-N 3.28Å; K75-F150 PolarHBondContact O-N 3.28Å; K75-F150 VanDerWaalsContact O-N 3.14Å
76	I	98.6	Very high	78.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.7	176.6	-56.7	167.4	0	0	0	108	V94 A103 H104 I105 A106 F150 V152 M401	I76-V94 HydrophobicContact CD1-CG1 3.81Å; I76-V94 HydrophobicContact CD1-CG2 4.4Å; I76-A103 HydrophobicContact CD1-CB 3.87Å; I76-A103 HydrophobicContact CG1-CB 4.45Å; I76-H104 PolarHBondContact N-O 3.11Å; I76-I105 HydrophobicContact CB-CD1 4.03Å; I76-I105 HydrophobicContact CD1-CD1 4.02Å; I76-I105 HydrophobicContact CG1-CD1 4.48Å; I76-I105 WeakPolarHBondContact O-CA 3.32Å; I76-A106 PolarHBondContact O-N 3.45Å; I76-F150 HydrophobicContact CG1-CB 4.4Å; I76-F150 HydrophobicContact CG1-CD2 4.13Å; I76-V152 HydrophobicContact CG2-CG2 4.42Å; I76-M401 HydrophobicContact CB-SD 4.44Å; I76-M401 HydrophobicContact CD1-SD 3.6Å; I76-M401 VanDerWaalsContact CD1-SD 3.6Å; I76-M401 HydrophobicContact CG1-SD 3.77Å; I76-M401 HydrophobicContact CG2-SD 3.8Å
77	T	98.7	Very high	80.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.3	176.3	-57.7	0	0	0	0	110.1	I79 A106 A144 L145 A148 F150 V151 V152	T77-I79 HydrophobicContact CG2-CD1 3.71Å; T77-I79 HydrophobicContact CG2-CG1 4.36Å; T77-A106 CarbonylContact C-O 3.56Å; T77-A106 WeakPolarHBondContact CA-O 3.23Å; T77-A106 HydrophobicContact CG2-CB 4.24Å; T77-A144 HydrophobicContact CG2-CB 3.86Å; T77-A144 PolarHBondContact OG1-O 3.4Å; T77-L145 HydrophobicContact CG2-CD2 3.99Å; T77-A148 WeakPolarHBondContact OG1-CB 3.39Å; T77-F150 PolarHBondContact N-O 3.17Å; T77-V151 CarbonylContact O-C 3.57Å; T77-V151 WeakPolarHBondContact O-CA 3.29Å; T77-V152 PolarHBondContact O-N 3.02Å
78	F	98.1	Very high	83	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	105.4	-179.9	-153	-64.9	0	0	0	109.5	A81 F86 V87 I90 A106 L107 M108 V152 A154	F78-A81 HydrophobicContact CD1-CB 4.45Å; F78-F86 HydrophobicContact CZ-CB 4.31Å; F78-V87 HydrophobicContact CD1-CG2 3.7Å; F78-V87 HydrophobicContact CD2-CG2 4.33Å; F78-V87 HydrophobicContact CE1-CG2 3.46Å; F78-V87 VanDerWaalsContact CE1-CG2 3.46Å; F78-V87 HydrophobicContact CE2-CG2 4.14Å; F78-V87 HydrophobicContact CG-CG2 4.14Å; F78-V87 HydrophobicContact CZ-CB 4.46Å; F78-V87 HydrophobicContact CZ-CG2 3.71Å; F78-I90 HydrophobicContact CE2-CB 4.07Å; F78-I90 HydrophobicContact CE2-CD1 3.93Å; F78-I90 HydrophobicContact CE2-CG2 4.07Å; F78-I90 HydrophobicContact CZ-CD1 4.03Å; F78-A106 PolarHBondContact N-O 2.75Å; F78-L107 HydrophobicContact CB-CD2 4.19Å; F78-M108 PolarHBondContact O-N 2.77Å; F78-V152 WeakPolarHBondContact CA-O 3.45Å; F78-V152 HydrophobicContact CD2-CB 3.75Å; F78-V152 HydrophobicContact CD2-CG1 3.94Å; F78-V152 HydrophobicContact CD2-CG2 4.2Å; F78-V152 HydrophobicContact CE1-CG1 4.33Å; F78-V152 HydrophobicContact CE2-CB 3.9Å; F78-V152 HydrophobicContact CE2-CG1 3.53Å; F78-V152 HydrophobicContact CE2-CG2 4.4Å; F78-V152 HydrophobicContact CG-CB 4.15Å; F78-V152 HydrophobicContact CG-CG1 4.49Å; F78-V152 HydrophobicContact CZ-CB 4.42Å; F78-V152 HydrophobicContact CZ-CG1 3.75Å; F78-A154 HydrophobicContact CE1-CB 3.83Å; F78-A154 HydrophobicContact CZ-CB 4.03Å
79	I	98.3	Very high	85.2	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.6	177.9	-52	-58.9	0	0	0	109.3	T77 M108 Q141 A144 L145 V151 V152 V153 A154 F155 I202	T77-I79 HydrophobicContact CG2-CD1 3.71Å; T77-I79 HydrophobicContact CG2-CG1 4.36Å; I79-M108 HydrophobicContact CD1-CB 3.78Å; I79-M108 HydrophobicContact CD1-CG 4.06Å; I79-M108 HydrophobicContact CD1-SD 4.14Å; I79-M108 HydrophobicContact CG2-SD 3.97Å; I79-Q141 HydrophobicContact CD1-CG 4.36Å; I79-A144 HydrophobicContact CD1-CB 4.34Å; I79-L145 HydrophobicContact CD1-CD2 4.16Å; I79-L145 HydrophobicContact CD1-CG 4.3Å; I79-L145 HydrophobicContact CG1-CD2 4.35Å; I79-V151 HydrophobicContact CG1-CG1 4.12Å; I79-V152 PolarHBondContact N-O 3.45Å; I79-V153 HydrophobicContact CB-CG1 4.14Å; I79-V153 HydrophobicContact CG1-CG1 4.34Å; I79-A154 PolarHBondContact O-N 3.38Å; I79-F155 HydrophobicContact CG2-CD1 4.21Å; I79-F155 HydrophobicContact CG2-CE1 4.32Å; I79-I202 HydrophobicContact CG2-CD1 3.91Å
80	G	95.4	Very high	87.6	Confident	6 Å²	6	32.6 Å²	32.6	6%	0.062	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	34.3	-168.7	0	0	0	0	0	112.3	G82 S83 M108	G80-G82 PolarHBondContact O-N 3.24Å; G80-G82 VanDerWaalsContact O-N 3.07Å; G80-S83 VanDerWaalsContact O-CB 3.28Å; G80-S83 WeakPolarHBondContact O-CB 3.36Å; G80-S83 PolarHBondContact O-N 3.39Å; G80-M108 PolarHBondContact N-O 2.94Å
81	A	92.2	Very high	89.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.9	-176.6	0	0	0	0	0	113.3	F78 S83 V87 L107 M108 L115 S118	F78-A81 HydrophobicContact CD1-CB 4.45Å; A81-S83 PolarHBondContact O-N 3.02Å; A81-V87 HydrophobicContact CB-CG2 4.3Å; A81-V87 VanDerWaalsContact O-CG2 3.27Å; A81-V87 WeakPolarHBondContact O-CG2 3.46Å; A81-L107 HydrophobicContact CB-CB 3.83Å; A81-L107 HydrophobicContact CB-CD2 4.11Å; A81-M108 WeakPolarHBondContact CB-O 3.27Å; A81-M108 PolarHBondContact N-O 3.48Å; A81-L115 HydrophobicContact CB-CD1 4.32Å; A81-S118 VanDerWaalsContact O-CB 3.29Å; A81-S118 WeakPolarHBondContact O-CB 3.42Å; A81-S118 PolarHBondContact O-OG 3.45Å
82	G	84.7	Confident	91.5	Very high	3 Å²	3	19 Å²	19	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.9	171.7	0	0	0	0	0	113.3	G80 T84 D109 R114	G80-G82 PolarHBondContact O-N 3.24Å; G80-G82 VanDerWaalsContact O-N 3.07Å; G82-T84 PolarHBondContact O-N 2.91Å; G82-T84 PolarHBondContact O-OG1 2.99Å; G82-D109 WeakPolarHBondContact CA-OD2 3.36Å; G82-D109 PolarHBondContact N-OD2 3.22Å; G82-R114 VanDerWaalsContact O-CZ 3.23Å; G82-R114 PolarHBondContact O-NE 3.31Å; G82-R114 VanDerWaalsContact O-NE 3.09Å; G82-R114 PolarHBondContact O-NH2 3.19Å
83	S	82.5	Confident	92.1	Very high	30 Å²	30	15.1 Å²	15.1	21%	0.21	9%	0.086	C	C	.	.			trans	-72.8	63.1	167.7	-162.9	0	0	0	0	110.6	G80 A81 I85 F86 V87 A154	G80-S83 VanDerWaalsContact O-CB 3.28Å; G80-S83 WeakPolarHBondContact O-CB 3.36Å; G80-S83 PolarHBondContact O-N 3.39Å; A81-S83 PolarHBondContact O-N 3.02Å; S83-I85 PolarHBondContact O-N 3.36Å; S83-F86 PolarHBondContact O-N 3.17Å; S83-F86 WeakPolarHBondContact OG-CD2 3.15Å; S83-V87 PolarHBondContact O-N 3.49Å; S83-A154 WeakPolarHBondContact CB-O 3.38Å
84	T	76.2	Confident	92.2	Very high	4 Å²	4	13 Å²	13	3%	0.025	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-25.4	-164.1	-41.6	0	0	0	0	113.2	G82 K88 S118 V121 W375	G82-T84 PolarHBondContact O-N 2.91Å; G82-T84 PolarHBondContact O-OG1 2.99Å; T84-K88 WeakPolarHBondContact O-CB 3.31Å; T84-K88 PolarHBondContact O-N 3.48Å; T84-S118 WeakPolarHBondContact CB-OG 3.49Å; T84-S118 WeakPolarHBondContact CG2-OG 3.45Å; T84-S118 PolarHBondContact OG1-OG 3.35Å; T84-V121 HydrophobicContact CG2-CB 4.23Å; T84-V121 HydrophobicContact CG2-CG1 4.37Å; T84-V121 HydrophobicContact CG2-CG2 4.21Å; T84-W375 VanDerWaalsContact CB-CH2 3.4Å; T84-W375 HydrophobicContact CG2-CH2 3.16Å; T84-W375 HydrophobicContact CG2-CZ2 3.36Å; T84-W375 HydrophobicContact CG2-CZ3 4.15Å
85	I	83.1	Confident	92.1	Very high	62 Å²	62	13.1 Å²	13.1	32%	0.318	7%	0.069	S	C	.	.	H	α-helix	trans	-62.3	-48.7	172.5	-61.2	176.4	0	0	0	110.8	S83 K88 N89 W375	S83-I85 PolarHBondContact O-N 3.36Å; I85-K88 PolarHBondContact O-N 3.49Å; I85-N89 VanDerWaalsContact O-CG 3.31Å; I85-N89 PolarHBondContact O-N 3.48Å; I85-W375 HydrophobicContact CG1-CE3 4.11Å
86	F	86	Confident	91.8	Very high	74 Å²	74	16.8 Å²	16.8	33%	0.325	9%	0.087	S	C	.	.	H	α-helix	trans	-66.3	-43.6	177.1	-85.3	-86	0	0	0	111.4	F78 S83 K88 N89 I90 A154 Y218	F78-F86 HydrophobicContact CZ-CB 4.31Å; S83-F86 PolarHBondContact O-N 3.17Å; S83-F86 WeakPolarHBondContact OG-CD2 3.15Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 3.01Å; F86-N89 PolarHBondContact O-N 3.16Å; F86-I90 HydrophobicContact CD1-CD1 4.41Å; F86-I90 WeakPolarHBondContact O-CB 3.38Å; F86-I90 WeakPolarHBondContact O-CG1 3.19Å; F86-I90 PolarHBondContact O-N 2.99Å; F86-A154 HydrophobicContact CB-CB 4.33Å; F86-A154 HydrophobicContact CG-CB 4.47Å; F86-Y218 HydrophobicContact CD1-CD1 4.37Å; F86-Y218 HydrophobicContact CE1-CD1 4Å
87	V	90.2	Very high	91.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.3	-47.1	175.3	173.1	0	0	0	0	110.9	F78 A81 S83 N89 L91 L107 V122	F78-V87 HydrophobicContact CD1-CG2 3.7Å; F78-V87 HydrophobicContact CD2-CG2 4.33Å; F78-V87 HydrophobicContact CE1-CG2 3.46Å; F78-V87 VanDerWaalsContact CE1-CG2 3.46Å; F78-V87 HydrophobicContact CE2-CG2 4.14Å; F78-V87 HydrophobicContact CG-CG2 4.14Å; F78-V87 HydrophobicContact CZ-CB 4.46Å; F78-V87 HydrophobicContact CZ-CG2 3.71Å; A81-V87 HydrophobicContact CB-CG2 4.3Å; A81-V87 VanDerWaalsContact O-CG2 3.27Å; A81-V87 WeakPolarHBondContact O-CG2 3.46Å; S83-V87 PolarHBondContact O-N 3.49Å; V87-N89 PolarHBondContact O-N 3.39Å; V87-L91 HydrophobicContact CG1-CD1 3.68Å; V87-L91 HydrophobicContact CG1-CG 4.31Å; V87-L91 WeakPolarHBondContact O-CB 2.9Å; V87-L91 WeakPolarHBondContact O-CG 3.36Å; V87-L91 PolarHBondContact O-N 3.34Å; V87-L107 HydrophobicContact CG1-CD2 4.32Å; V87-V122 HydrophobicContact CG1-CG2 3.34Å
88	K	90.8	Very high	91.5	Very high	17 Å²	17	26.6 Å²	26.6	7%	0.074	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-47	179.1	178.1	-177.6	79.7	174.5	0	111.6	T84 I85 F86 G92 V121 L125 E378 Y382 I390	T84-K88 WeakPolarHBondContact O-CB 3.31Å; T84-K88 PolarHBondContact O-N 3.48Å; I85-K88 PolarHBondContact O-N 3.49Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 3.01Å; K88-G92 VanDerWaalsContact O-CA 3.3Å; K88-G92 WeakPolarHBondContact O-CA 3.46Å; K88-G92 PolarHBondContact O-N 3.06Å; K88-V121 HydrophobicContact CB-CG1 4.47Å; K88-V121 HydrophobicContact CG-CG1 4.48Å; K88-L125 HydrophobicContact CB-CD1 4.48Å; K88-L125 HydrophobicContact CG-CD1 4.18Å; K88-E378 IonicContact NZ-OE2 2.83Å; K88-E378 PolarHBondContact NZ-OE2 3.12Å; K88-Y382 HydrophobicContact CD-CE2 3.77Å; K88-Y382 PolarHBondContact NZ-OH 2.93Å; K88-I390 HydrophobicContact CD-CD1 3.54Å; K88-I390 HydrophobicContact CG-CD1 3.14Å
89	N	91.5	Very high	91.3	Very high	39 Å²	39	28.2 Å²	28.2	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-69.5	-53.4	-178.6	-70.3	-4.9	0	0	0	111.4	I85 F86 V87 G92 D93 S393 E395	I85-N89 VanDerWaalsContact O-CG 3.31Å; I85-N89 PolarHBondContact O-N 3.48Å; F86-N89 PolarHBondContact O-N 3.16Å; V87-N89 PolarHBondContact O-N 3.39Å; N89-G92 PolarHBondContact O-N 3.35Å; N89-D93 PolarHBondContact O-N 2.93Å; N89-S393 WeakPolarHBondContact CB-OG 3.42Å; N89-S393 PolarHBondContact O-OG 2.87Å; N89-E395 HydrophobicContact CB-CG 4.28Å
90	I	94.8	Very high	91.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-50	-176.2	-68.3	172.9	0	0	0	110.9	F78 F86 G92 D93 V94 V152 Y218 E395 A397 M401	F78-I90 HydrophobicContact CE2-CB 4.07Å; F78-I90 HydrophobicContact CE2-CD1 3.93Å; F78-I90 HydrophobicContact CE2-CG2 4.07Å; F78-I90 HydrophobicContact CZ-CD1 4.03Å; F86-I90 HydrophobicContact CD1-CD1 4.41Å; F86-I90 WeakPolarHBondContact O-CB 3.38Å; F86-I90 WeakPolarHBondContact O-CG1 3.19Å; F86-I90 PolarHBondContact O-N 2.99Å; I90-G92 VanDerWaalsContact C-N 3.35Å; I90-D93 PolarHBondContact O-N 3.4Å; I90-V94 WeakPolarHBondContact O-CG2 3.43Å; I90-V94 PolarHBondContact O-N 2.86Å; I90-V152 HydrophobicContact CD1-CG1 3.95Å; I90-Y218 HydrophobicContact CD1-CD2 4.09Å; I90-Y218 HydrophobicContact CD1-CE1 4.47Å; I90-Y218 HydrophobicContact CD1-CE2 3.75Å; I90-E395 HydrophobicContact CG1-CB 4.07Å; I90-E395 HydrophobicContact CG1-CG 4.01Å; I90-A397 HydrophobicContact CD1-CB 4.37Å; I90-A397 HydrophobicContact CG1-CB 4.34Å; I90-A397 HydrophobicContact CG2-CB 3.76Å; I90-M401 HydrophobicContact CG2-CE 4.24Å
91	L	95	Very high	91.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-73.3	-31.3	-179.5	-62.1	-176.7	0	0	0	112	V87 D93 V94 F95 I105 L107 V122	V87-L91 HydrophobicContact CG1-CD1 3.68Å; V87-L91 HydrophobicContact CG1-CG 4.31Å; V87-L91 WeakPolarHBondContact O-CB 2.9Å; V87-L91 WeakPolarHBondContact O-CG 3.36Å; V87-L91 PolarHBondContact O-N 3.34Å; L91-D93 VanDerWaalsContact C-N 3.29Å; L91-D93 PolarHBondContact O-N 3.21Å; L91-V94 HydrophobicContact CD2-CG2 4.38Å; L91-V94 PolarHBondContact O-N 3.2Å; L91-F95 HydrophobicContact CB-CE2 3.84Å; L91-F95 HydrophobicContact CB-CZ 3.96Å; L91-F95 WeakPolarHBondContact O-CD2 3.46Å; L91-F95 WeakPolarHBondContact O-CE2 3.49Å; L91-F95 WeakPolarHBondContact O-CG 3.36Å; L91-F95 PolarHBondContact O-N 3.38Å; L91-I105 HydrophobicContact CD1-CG2 3.64Å; L91-I105 HydrophobicContact CD2-CD1 4.11Å; L91-I105 HydrophobicContact CD2-CG2 4.29Å; L91-L107 HydrophobicContact CD1-CD2 4.04Å; L91-V122 HydrophobicContact CD1-CB 4.4Å; L91-V122 HydrophobicContact CD1-CG1 3.74Å; L91-V122 HydrophobicContact CD1-CG2 3.65Å
92	G	93.4	Very high	91.5	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-53.3	-48.6	167.4	0	0	0	0	0	111.2	K88 N89 I90 F95 H96	K88-G92 VanDerWaalsContact O-CA 3.3Å; K88-G92 WeakPolarHBondContact O-CA 3.46Å; K88-G92 PolarHBondContact O-N 3.06Å; N89-G92 PolarHBondContact O-N 3.35Å; I90-G92 VanDerWaalsContact C-N 3.35Å; G92-F95 PolarHBondContact O-N 2.97Å; G92-H96 PolarHBondContact O-N 2.67Å; G92-H96 PolarHBondContact O-ND1 3.07Å
93	D	94.7	Very high	92.1	Very high	5 Å²	5	33 Å²	33	3%	0.027	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-38.9	176.7	-72.9	-10.5	0	0	0	113	N89 I90 L91 F95 H96 P392 S393 R394 E395 S398	N89-D93 PolarHBondContact O-N 2.93Å; I90-D93 PolarHBondContact O-N 3.4Å; L91-D93 VanDerWaalsContact C-N 3.29Å; L91-D93 PolarHBondContact O-N 3.21Å; D93-F95 VanDerWaalsContact C-N 3.31Å; D93-F95 PolarHBondContact O-N 3.46Å; D93-H96 PolarHBondContact O-N 2.75Å; D93-P392 WeakPolarHBondContact OD1-CA 3.48Å; D93-S393 PolarHBondContact OD1-N 3.14Å; D93-S393 PolarHBondContact OD1-OG 3.3Å; D93-S393 PolarHBondContact OD2-N 3.25Å; D93-S393 PolarHBondContact OD2-OG 3.06Å; D93-R394 PolarHBondContact OD2-N 3.19Å; D93-E395 PolarHBondContact OD2-N 2.83Å; D93-S398 WeakPolarHBondContact CB-OG 3.39Å
94	V	96.3	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.6	-45.5	174.6	166.7	0	0	0	0	110.9	I76 I90 L91 H96 R97 L100 M401	I76-V94 HydrophobicContact CD1-CG1 3.81Å; I76-V94 HydrophobicContact CD1-CG2 4.4Å; I90-V94 WeakPolarHBondContact O-CG2 3.43Å; I90-V94 PolarHBondContact O-N 2.86Å; L91-V94 HydrophobicContact CD2-CG2 4.38Å; L91-V94 PolarHBondContact O-N 3.2Å; V94-H96 PolarHBondContact O-N 3.38Å; V94-R97 WeakPolarHBondContact O-CB 3.4Å; V94-R97 PolarHBondContact O-N 3.11Å; V94-L100 HydrophobicContact CG1-CB 3.75Å; V94-L100 HydrophobicContact CG1-CD1 4Å; V94-L100 HydrophobicContact CG2-CD1 4.41Å; V94-M401 HydrophobicContact CG2-CE 3.55Å; V94-M401 HydrophobicContact CG2-SD 4.33Å
95	F	95.2	Very high	93.9	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.013	17%	0.165	C	C	.	.	H	α-helix	trans	-73.3	-12	-177.5	-53.5	-39.4	0	0	0	114.1	L91 G92 D93 R97 I105 V122 L125 M126 A129 A131	L91-F95 HydrophobicContact CB-CE2 3.84Å; L91-F95 HydrophobicContact CB-CZ 3.96Å; L91-F95 WeakPolarHBondContact O-CD2 3.46Å; L91-F95 WeakPolarHBondContact O-CE2 3.49Å; L91-F95 WeakPolarHBondContact O-CG 3.36Å; L91-F95 PolarHBondContact O-N 3.38Å; G92-F95 PolarHBondContact O-N 2.97Å; D93-F95 VanDerWaalsContact C-N 3.31Å; D93-F95 PolarHBondContact O-N 3.46Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-I105 HydrophobicContact CE1-CD1 4.12Å; F95-I105 HydrophobicContact CE1-CG1 4.02Å; F95-I105 HydrophobicContact CZ-CD1 4.47Å; F95-I105 HydrophobicContact CZ-CG1 4.07Å; F95-V122 HydrophobicContact CE2-CG1 4.1Å; F95-V122 HydrophobicContact CZ-CG1 3.95Å; F95-L125 HydrophobicContact CD2-CB 3.92Å; F95-L125 HydrophobicContact CE2-CB 3.94Å; F95-M126 HydrophobicContact CD1-CG 4.05Å; F95-M126 HydrophobicContact CD2-CG 4.02Å; F95-M126 HydrophobicContact CE1-CG 3.53Å; F95-M126 HydrophobicContact CE1-SD 4.21Å; F95-M126 HydrophobicContact CE2-CB 4.41Å; F95-M126 HydrophobicContact CE2-CG 3.49Å; F95-M126 VanDerWaalsContact CE2-CG 3.49Å; F95-M126 HydrophobicContact CG-CG 4.29Å; F95-M126 HydrophobicContact CZ-CG 3.23Å; F95-M126 HydrophobicContact CZ-SD 4.04Å; F95-A129 HydrophobicContact CB-CB 3.58Å; F95-A131 HydrophobicContact CB-CB 4.33Å; F95-A131 HydrophobicContact CD1-CB 3.93Å; F95-A131 HydrophobicContact CG-CB 4.21Å
96	H	93.3	Very high	94.7	Very high	100 Å²	100	30.5 Å²	30.5	46%	0.463	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.4	167.8	-72.3	93	0	0	0	113	G92 D93 V94 I390	G92-H96 PolarHBondContact O-N 2.67Å; G92-H96 PolarHBondContact O-ND1 3.07Å; D93-H96 PolarHBondContact O-N 2.75Å; V94-H96 PolarHBondContact O-N 3.38Å; H96-I390 PolarHBondContact CE1-O 3.13Å; H96-I390 PolarHBondContact NE2-O 2.82Å
97	R	94.8	Very high	95.3	Very high	67 Å²	67	27 Å²	27	25%	0.253	14%	0.135	S	C	.	.	S	Bend	trans	-90.7	116.8	177.4	-56.7	-67.5	-173.9	158.8	1.6	109.6	V94 F95 A99 L100 K101 T399 N402	V94-R97 WeakPolarHBondContact O-CB 3.4Å; V94-R97 PolarHBondContact O-N 3.11Å; F95-R97 VanDerWaalsContact C-N 3.3Å; R97-A99 VanDerWaalsContact C-N 3.26Å; R97-A99 PolarHBondContact O-N 3.45Å; R97-L100 HydrophobicContact CB-CB 4.19Å; R97-L100 HydrophobicContact CB-CD1 3.97Å; R97-L100 HydrophobicContact CB-CG 4Å; R97-L100 HydrophobicContact CG-CD1 4.18Å; R97-L100 PolarHBondContact O-N 3.49Å; R97-K101 PolarHBondContact O-N 2.83Å; R97-T399 PolarHBondContact NH2-OG1 2.85Å; R97-N402 HydrophobicContact CG-CB 4.23Å
98	E	94.5	Very high	95.7	Very high	140 Å²	140	27.5 Å²	27.5	65%	0.654	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-55.6	-42.1	-177.2	-168.3	61.1	-150.8	0	0	112.3	L100 K101	E98-L100 PolarHBondContact O-N 3.24Å; E98-L100 VanDerWaalsContact O-N 3.14Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 3.93Å; E98-K101 WeakPolarHBondContact OE2-CD 3.3Å; E98-K101 VanDerWaalsContact OE2-CE 3.31Å; E98-K101 WeakPolarHBondContact OE2-CE 3.4Å; E98-K101 IonicContact OE2-NZ 2.7Å; E98-K101 PolarHBondContact OE2-NZ 3.22Å
99	A	95.7	Very high	96	Very high	33 Å²	33	27.3 Å²	27.3	27%	0.273	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-65	-16	179.8	0	0	0	0	0	114.5	R97 T406	R97-A99 VanDerWaalsContact C-N 3.26Å; R97-A99 PolarHBondContact O-N 3.45Å; A99-T406 HydrophobicContact CB-CG2 3.31Å
100	L	96.6	Very high	96.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-111.3	1.6	-176.8	-52.6	179.9	0	0	0	113	P74 V94 R97 E98 T102 A103 M401 N402 W405	P74-L100 HydrophobicContact CG-CD2 3.78Å; V94-L100 HydrophobicContact CG1-CB 3.75Å; V94-L100 HydrophobicContact CG1-CD1 4Å; V94-L100 HydrophobicContact CG2-CD1 4.41Å; R97-L100 HydrophobicContact CB-CB 4.19Å; R97-L100 HydrophobicContact CB-CD1 3.97Å; R97-L100 HydrophobicContact CB-CG 4Å; R97-L100 HydrophobicContact CG-CD1 4.18Å; R97-L100 PolarHBondContact O-N 3.49Å; E98-L100 PolarHBondContact O-N 3.24Å; E98-L100 VanDerWaalsContact O-N 3.14Å; L100-T102 PolarHBondContact O-N 3.35Å; L100-A103 WeakPolarHBondContact O-CB 3.26Å; L100-A103 PolarHBondContact O-N 2.89Å; L100-A103 VanDerWaalsContact O-N 3.07Å; L100-M401 HydrophobicContact CD1-CB 3.92Å; L100-N402 HydrophobicContact CD1-CB 4.44Å; L100-W405 HydrophobicContact CD2-CB 4.26Å; L100-W405 HydrophobicContact CD2-CG 4.2Å
101	K	95.9	Very high	96.1	Very high	48 Å²	48	35.1 Å²	35.1	21%	0.209	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.9	-179	-81.3	-175.4	176.6	169.5	0	114.4	R97 E98 A131 S132 G133	R97-K101 PolarHBondContact O-N 2.83Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 3.93Å; E98-K101 WeakPolarHBondContact OE2-CD 3.3Å; E98-K101 VanDerWaalsContact OE2-CE 3.31Å; E98-K101 WeakPolarHBondContact OE2-CE 3.4Å; E98-K101 IonicContact OE2-NZ 2.7Å; E98-K101 PolarHBondContact OE2-NZ 3.22Å; K101-A131 HydrophobicContact CB-CB 4.28Å; K101-A131 HydrophobicContact CG-CB 4.32Å; K101-A131 CarbonylContact O-C 3.52Å; K101-A131 WeakPolarHBondContact O-CA 3.49Å; K101-A131 WeakPolarHBondContact O-CB 3.07Å; K101-S132 PolarHBondContact O-N 3.18Å; K101-G133 PolarHBondContact O-N 3.2Å
102	T	96.8	Very high	96.1	Very high	67 Å²	67	39.3 Å²	39.3	41%	0.411	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.3	178.1	54.2	0	0	0	0	112.8	A73 L100 G133	A73-T102 WeakPolarHBondContact CB-O 3.33Å; L100-T102 PolarHBondContact O-N 3.35Å; T102-G133 VanDerWaalsContact O-CA 3.24Å; T102-G133 WeakPolarHBondContact O-CA 3.32Å
103	A	97.9	Very high	96	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	23%	0.229	C	C	.	.			trans	-54.7	142.8	-172.5	0	0	0	0	0	113.1	P74 I76 L100 I105 G133 K134	P74-A103 HydrophobicContact CG-CB 4.05Å; P74-A103 CarbonylContact O-C 3.57Å; P74-A103 VanDerWaalsContact O-CA 3.26Å; P74-A103 WeakPolarHBondContact O-CA 3.34Å; P74-A103 WeakPolarHBondContact O-CB 3.28Å; I76-A103 HydrophobicContact CD1-CB 3.87Å; I76-A103 HydrophobicContact CG1-CB 4.45Å; L100-A103 WeakPolarHBondContact O-CB 3.26Å; L100-A103 PolarHBondContact O-N 2.89Å; L100-A103 VanDerWaalsContact O-N 3.07Å; A103-I105 HydrophobicContact CB-CD1 3.98Å; A103-I105 PolarHBondContact O-N 2.75Å; A103-G133 WeakPolarHBondContact O-CA 3.42Å; A103-K134 PolarHBondContact O-N 3.26Å
104	H	98.3	Very high	95.9	Very high	42 Å²	42	48.3 Å²	48.3	19%	0.194	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.7	166.7	174.8	-165.7	0	0	0	108.6	P74 K75 I76 K134 T136	P74-H104 PolarHBondContact O-N 2.87Å; K75-H104 CarbonylContact C-O 3.52Å; K75-H104 WeakPolarHBondContact CA-O 3.49Å; K75-H104 HydrophobicContact CB-CB 4.38Å; K75-H104 HydrophobicContact CG-CB 4.37Å; I76-H104 PolarHBondContact N-O 3.11Å; H104-K134 CarbonylContact C-O 3.58Å; H104-K134 WeakPolarHBondContact CA-O 3.5Å; H104-T136 VanDerWaalsContact NE2-CG2 3.34Å; H104-T136 WeakPolarHBondContact NE2-CG2 3.48Å; H104-T136 PolarHBondContact NE2-OG1 2.96Å
105	I	98.4	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.9	175.2	-49.8	-52.1	0	0	0	110	I76 L91 F95 A103 L107 V122 K134 I135 T136	I76-I105 HydrophobicContact CB-CD1 4.03Å; I76-I105 HydrophobicContact CD1-CD1 4.02Å; I76-I105 HydrophobicContact CG1-CD1 4.48Å; I76-I105 WeakPolarHBondContact O-CA 3.32Å; L91-I105 HydrophobicContact CD1-CG2 3.64Å; L91-I105 HydrophobicContact CD2-CD1 4.11Å; L91-I105 HydrophobicContact CD2-CG2 4.29Å; F95-I105 HydrophobicContact CE1-CD1 4.12Å; F95-I105 HydrophobicContact CE1-CG1 4.02Å; F95-I105 HydrophobicContact CZ-CD1 4.47Å; F95-I105 HydrophobicContact CZ-CG1 4.07Å; A103-I105 HydrophobicContact CB-CD1 3.98Å; A103-I105 PolarHBondContact O-N 2.75Å; I105-L107 HydrophobicContact CG2-CD2 3.71Å; I105-L107 HydrophobicContact CG2-CG 4.14Å; I105-V122 HydrophobicContact CG2-CG1 4.43Å; I105-K134 PolarHBondContact N-O 3Å; I105-I135 CarbonylContact O-C 3.57Å; I105-I135 VanDerWaalsContact O-CA 3.3Å; I105-I135 WeakPolarHBondContact O-CA 3.41Å; I105-T136 PolarHBondContact O-N 3.43Å
106	A	98.6	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.9	171.6	0	0	0	0	0	110	I76 T77 F78	I76-A106 PolarHBondContact O-N 3.45Å; T77-A106 CarbonylContact C-O 3.56Å; T77-A106 WeakPolarHBondContact CA-O 3.23Å; T77-A106 HydrophobicContact CG2-CB 4.24Å; F78-A106 PolarHBondContact N-O 2.75Å
107	L	98.6	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129	177	-58.7	178.8	0	0	0	109.3	F78 A81 V87 L91 I105 L115 H119 V122 I135 T136 C137 H138	F78-L107 HydrophobicContact CB-CD2 4.19Å; A81-L107 HydrophobicContact CB-CB 3.83Å; A81-L107 HydrophobicContact CB-CD2 4.11Å; V87-L107 HydrophobicContact CG1-CD2 4.32Å; L91-L107 HydrophobicContact CD1-CD2 4.04Å; I105-L107 HydrophobicContact CG2-CD2 3.71Å; I105-L107 HydrophobicContact CG2-CG 4.14Å; L107-L115 HydrophobicContact CB-CD1 3.77Å; L107-H119 HydrophobicContact CD1-CB 4.35Å; L107-V122 HydrophobicContact CD1-CB 4.32Å; L107-V122 HydrophobicContact CD1-CG2 4.17Å; L107-V122 HydrophobicContact CD2-CG2 4.47Å; L107-I135 HydrophobicContact CD1-CG2 3.92Å; L107-I135 HydrophobicContact CG-CG2 4.18Å; L107-T136 PolarHBondContact N-O 2.67Å; L107-C137 CarbonylContact O-C 3.16Å; L107-C137 WeakPolarHBondContact O-CA 3.22Å; L107-H138 PolarHBondContact O-N 2.84Å
108	M	98.3	Very high	95.6	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.4	176.3	-175.3	-84.1	168.9	0	0	111.5	F78 I79 G80 A81 I110 H138 T139 Q141 A144	F78-M108 PolarHBondContact O-N 2.77Å; I79-M108 HydrophobicContact CD1-CB 3.78Å; I79-M108 HydrophobicContact CD1-CG 4.06Å; I79-M108 HydrophobicContact CD1-SD 4.14Å; I79-M108 HydrophobicContact CG2-SD 3.97Å; G80-M108 PolarHBondContact N-O 2.94Å; A81-M108 WeakPolarHBondContact CB-O 3.27Å; A81-M108 PolarHBondContact N-O 3.48Å; M108-I110 HydrophobicContact CE-CG2 3.94Å; M108-H138 VanDerWaalsContact CA-O 3.29Å; M108-H138 WeakPolarHBondContact CA-O 3.3Å; M108-H138 HydrophobicContact CB-CB 4.34Å; M108-H138 HydrophobicContact CG-CB 4.35Å; M108-T139 WeakPolarHBondContact CE-O 3.48Å; M108-Q141 HydrophobicContact CE-CB 4.1Å; M108-A144 HydrophobicContact CB-CB 3.65Å; M108-A144 HydrophobicContact CG-CB 3.94Å
109	D	97.1	Very high	95.7	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.064	23%	0.225	C	C	.	.			trans	-148.3	150.4	168.4	-155.6	-76	0	0	0	109.9	G82 D111 L115 H138	G82-D109 WeakPolarHBondContact CA-OD2 3.36Å; G82-D109 PolarHBondContact N-OD2 3.22Å; D109-D111 VanDerWaalsContact C-N 3.31Å; D109-D111 WeakPolarHBondContact OD1-CB 3.25Å; D109-D111 PolarHBondContact OD1-N 3.34Å; D109-L115 HydrophobicContact CB-CB 4.16Å; D109-L115 HydrophobicContact CB-CD1 4.35Å; D109-H138 PolarHBondContact N-O 3.24Å
110	I	94.5	Very high	95.5	Very high	144 Å²	144	43.7 Å²	43.7	74%	0.738	22%	0.224	S	C	*	.	S	Bend	trans	-76.6	-22.6	176.5	61.3	173	0	0	0	112	M108 P112	M108-I110 HydrophobicContact CE-CG2 3.94Å; I110-P112 WeakPolarHBondContact O-CD 3.23Å
111	D	94	Very high	95.3	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	23%	0.225	S	C	.	.			trans	-91.5	109.2	175.9	-176.6	-29.7	0	0	0	109.9	D109 T113 R114 L115	D109-D111 VanDerWaalsContact C-N 3.31Å; D109-D111 WeakPolarHBondContact OD1-CB 3.25Å; D109-D111 PolarHBondContact OD1-N 3.34Å; D111-T113 VanDerWaalsContact C-N 3.25Å; D111-T113 PolarHBondContact O-N 3.43Å; D111-T113 WeakPolarHBondContact OD1-CA 3.39Å; D111-T113 WeakPolarHBondContact OD1-CB 3.42Å; D111-T113 PolarHBondContact OD1-N 2.93Å; D111-R114 HydrophobicContact CB-CB 4.09Å; D111-R114 HydrophobicContact CB-CG 4.14Å; D111-R114 PolarHBondContact O-N 3.17Å; D111-R114 PolarHBondContact OD1-N 3Å; D111-R114 VanDerWaalsContact OD1-N 3.13Å; D111-R114 WeakPolarHBondContact OD2-CD 3.14Å; D111-R114 WeakPolarHBondContact OD2-CG 3.36Å; D111-L115 WeakPolarHBondContact O-CB 3.33Å; D111-L115 PolarHBondContact O-N 3.3Å
112	P	94.7	Very high	95.3	Very high	87 Å²	87	41.4 Å²	41.4	57%	0.565	22%	0.215	S	C	*	.	H	α-helix	trans	-66.5	-26.5	-177	27.6	-35.2	0	0	0	113	I110 E116	I110-P112 WeakPolarHBondContact O-CD 3.23Å; P112-E116 PolarHBondContact O-N 2.95Å; P112-E116 VanDerWaalsContact O-N 3.15Å
113	T	92.8	Very high	95.2	Very high	91 Å²	91	42.4 Å²	42.4	56%	0.558	21%	0.211	S	C	*	.	H	α-helix	trans	-70.8	-49.7	176.8	-62.5	0	0	0	0	110	D111 L115 E116 E117	D111-T113 VanDerWaalsContact C-N 3.25Å; D111-T113 PolarHBondContact O-N 3.43Å; D111-T113 WeakPolarHBondContact OD1-CA 3.39Å; D111-T113 WeakPolarHBondContact OD1-CB 3.42Å; D111-T113 PolarHBondContact OD1-N 2.93Å; T113-L115 VanDerWaalsContact C-N 3.28Å; T113-L115 PolarHBondContact O-N 3.47Å; T113-E116 PolarHBondContact O-N 3.06Å; T113-E117 WeakPolarHBondContact O-CG 3.43Å; T113-E117 PolarHBondContact O-N 3.25Å
114	R	91.7	Very high	94.9	Very high	106 Å²	106	44.2 Å²	44.2	40%	0.4	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-35	177.8	-65.3	178.6	69.3	-171.1	5.2	112.2	G82 D111 E117 S118	G82-R114 VanDerWaalsContact O-CZ 3.23Å; G82-R114 PolarHBondContact O-NE 3.31Å; G82-R114 VanDerWaalsContact O-NE 3.09Å; G82-R114 PolarHBondContact O-NH2 3.19Å; D111-R114 HydrophobicContact CB-CB 4.09Å; D111-R114 HydrophobicContact CB-CG 4.14Å; D111-R114 PolarHBondContact O-N 3.17Å; D111-R114 PolarHBondContact OD1-N 3Å; D111-R114 VanDerWaalsContact OD1-N 3.13Å; D111-R114 WeakPolarHBondContact OD2-CD 3.14Å; D111-R114 WeakPolarHBondContact OD2-CG 3.36Å; R114-E117 PolarHBondContact O-N 3.2Å; R114-S118 PolarHBondContact O-N 3.24Å; R114-S118 PolarHBondContact O-OG 3.36Å
115	L	95.5	Very high	94.7	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-46.8	174.6	-177.1	57.3	0	0	0	111.9	A81 L107 D109 D111 T113 S118 H119 C137 H138 T139	A81-L115 HydrophobicContact CB-CD1 4.32Å; L107-L115 HydrophobicContact CB-CD1 3.77Å; D109-L115 HydrophobicContact CB-CB 4.16Å; D109-L115 HydrophobicContact CB-CD1 4.35Å; D111-L115 WeakPolarHBondContact O-CB 3.33Å; D111-L115 PolarHBondContact O-N 3.3Å; T113-L115 VanDerWaalsContact C-N 3.28Å; T113-L115 PolarHBondContact O-N 3.47Å; L115-S118 PolarHBondContact O-N 3.02Å; L115-H119 PolarHBondContact O-N 3.18Å; L115-C137 HydrophobicContact CD1-CB 4.19Å; L115-C137 HydrophobicContact CD2-CB 3.97Å; L115-C137 HydrophobicContact CG-CB 4.02Å; L115-H138 WeakPolarHBondContact CD2-O 3.21Å; L115-T139 HydrophobicContact CD2-CG2 4.15Å
116	E	93.9	Very high	94.5	Very high	100 Å²	100	42.6 Å²	42.6	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-39.9	177.9	-179.6	58.1	-160.9	0	0	111.8	P112 T113 S118 H119 I120	P112-E116 PolarHBondContact O-N 2.95Å; P112-E116 VanDerWaalsContact O-N 3.15Å; T113-E116 PolarHBondContact O-N 3.06Å; E116-S118 VanDerWaalsContact C-N 3.34Å; E116-S118 PolarHBondContact O-N 3.19Å; E116-H119 WeakPolarHBondContact O-CB 3.25Å; E116-H119 PolarHBondContact O-N 3.34Å; E116-H119 IonicContact OE2-ND1 3.61Å; E116-I120 HydrophobicContact CG-CD1 4.23Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 2.87Å
117	E	91.6	Very high	94.2	Very high	41 Å²	41	47.5 Å²	47.5	19%	0.192	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-46	174.9	-69.6	179.2	164.3	0	0	111.8	T113 R114 I120 V121 L379	T113-E117 WeakPolarHBondContact O-CG 3.43Å; T113-E117 PolarHBondContact O-N 3.25Å; R114-E117 PolarHBondContact O-N 3.2Å; E117-I120 PolarHBondContact O-N 3.45Å; E117-V121 WeakPolarHBondContact O-CG2 3.37Å; E117-V121 PolarHBondContact O-N 3.45Å; E117-V121 VanDerWaalsContact O-N 3.12Å; E117-L379 HydrophobicContact CB-CD1 4.14Å; E117-L379 HydrophobicContact CB-CD2 4.16Å; E117-L379 HydrophobicContact CG-CD1 4.38Å; E117-L379 HydrophobicContact CG-CD2 3.67Å; E117-L379 WeakPolarHBondContact OE1-CD2 3.3Å; E117-L379 WeakPolarHBondContact OE2-CD2 3.49Å
118	S	93.3	Very high	94	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-40.5	175.5	-71.3	0	0	0	0	112.3	A81 T84 R114 L115 E116 I120 V121 V122	A81-S118 VanDerWaalsContact O-CB 3.29Å; A81-S118 WeakPolarHBondContact O-CB 3.42Å; A81-S118 PolarHBondContact O-OG 3.45Å; T84-S118 WeakPolarHBondContact CB-OG 3.49Å; T84-S118 WeakPolarHBondContact CG2-OG 3.45Å; T84-S118 PolarHBondContact OG1-OG 3.35Å; R114-S118 PolarHBondContact O-N 3.24Å; R114-S118 PolarHBondContact O-OG 3.36Å; L115-S118 PolarHBondContact O-N 3.02Å; E116-S118 VanDerWaalsContact C-N 3.34Å; E116-S118 PolarHBondContact O-N 3.19Å; S118-I120 VanDerWaalsContact C-N 3.34Å; S118-I120 PolarHBondContact O-N 3.26Å; S118-V121 PolarHBondContact O-N 3.04Å; S118-V122 WeakPolarHBondContact O-CB 3.3Å; S118-V122 WeakPolarHBondContact O-CG2 3.46Å; S118-V122 PolarHBondContact O-N 3.13Å
119	H	95.2	Very high	93.7	Very high	46 Å²	46	48.9 Å²	48.9	21%	0.213	25%	0.25	C	S	.	.	H	α-helix	trans	-57.6	-46.1	175.1	175.2	-139.1	0	0	0	112.1	L107 L115 E116 V121 V122 R123	L107-H119 HydrophobicContact CD1-CB 4.35Å; L115-H119 PolarHBondContact O-N 3.18Å; E116-H119 WeakPolarHBondContact O-CB 3.25Å; E116-H119 PolarHBondContact O-N 3.34Å; E116-H119 IonicContact OE2-ND1 3.61Å; H119-V121 PolarHBondContact O-N 2.86Å; H119-V122 PolarHBondContact O-N 2.63Å; H119-R123 VanDerWaalsContact O-CB 3.32Å; H119-R123 WeakPolarHBondContact O-CB 3.24Å; H119-R123 PolarHBondContact O-N 2.91Å
120	I	92.4	Very high	93.5	Very high	49 Å²	49	50.8 Å²	50.8	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-47.3	177.9	-67.5	164.7	0	0	0	110.8	E116 E117 S118 K124 K383	E116-I120 HydrophobicContact CG-CD1 4.23Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 2.87Å; E117-I120 PolarHBondContact O-N 3.45Å; S118-I120 VanDerWaalsContact C-N 3.34Å; S118-I120 PolarHBondContact O-N 3.26Å; I120-K124 WeakPolarHBondContact O-CG 3.32Å; I120-K124 PolarHBondContact O-N 3.06Å; I120-K383 HydrophobicContact CG2-CG 4.39Å
121	V	92.4	Very high	93.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-47.4	-179	173	0	0	0	0	110.8	T84 K88 E117 S118 H119 R123 K124 L125 W375 L379 Y382	T84-V121 HydrophobicContact CG2-CB 4.23Å; T84-V121 HydrophobicContact CG2-CG1 4.37Å; T84-V121 HydrophobicContact CG2-CG2 4.21Å; K88-V121 HydrophobicContact CB-CG1 4.47Å; K88-V121 HydrophobicContact CG-CG1 4.48Å; E117-V121 WeakPolarHBondContact O-CG2 3.37Å; E117-V121 PolarHBondContact O-N 3.45Å; E117-V121 VanDerWaalsContact O-N 3.12Å; S118-V121 PolarHBondContact O-N 3.04Å; H119-V121 PolarHBondContact O-N 2.86Å; V121-R123 PolarHBondContact O-N 3.42Å; V121-K124 PolarHBondContact O-N 3.49Å; V121-L125 HydrophobicContact CG1-CD1 4.07Å; V121-L125 HydrophobicContact CG1-CG 4.47Å; V121-L125 WeakPolarHBondContact O-CG 3.28Å; V121-L125 PolarHBondContact O-N 2.93Å; V121-W375 HydrophobicContact CG2-CH2 4.22Å; V121-L379 HydrophobicContact CG2-CD1 3.98Å; V121-Y382 HydrophobicContact CG2-CD2 4.35Å
122	V	94.6	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-40.8	-178.8	176.3	0	0	0	0	111.8	V87 L91 F95 I105 L107 S118 H119 K124 L125 M126 I135	V87-V122 HydrophobicContact CG1-CG2 3.34Å; L91-V122 HydrophobicContact CD1-CB 4.4Å; L91-V122 HydrophobicContact CD1-CG1 3.74Å; L91-V122 HydrophobicContact CD1-CG2 3.65Å; F95-V122 HydrophobicContact CE2-CG1 4.1Å; F95-V122 HydrophobicContact CZ-CG1 3.95Å; I105-V122 HydrophobicContact CG2-CG1 4.43Å; L107-V122 HydrophobicContact CD1-CB 4.32Å; L107-V122 HydrophobicContact CD1-CG2 4.17Å; L107-V122 HydrophobicContact CD2-CG2 4.47Å; S118-V122 WeakPolarHBondContact O-CB 3.3Å; S118-V122 WeakPolarHBondContact O-CG2 3.46Å; S118-V122 PolarHBondContact O-N 3.13Å; H119-V122 PolarHBondContact O-N 2.63Å; V122-K124 VanDerWaalsContact C-N 3.3Å; V122-K124 PolarHBondContact O-N 2.83Å; V122-L125 PolarHBondContact O-N 3.37Å; V122-M126 PolarHBondContact O-N 3.38Å; V122-I135 HydrophobicContact CB-CD1 4.3Å; V122-I135 HydrophobicContact CG1-CD1 3.77Å; V122-I135 HydrophobicContact CG1-CG1 4.4Å
123	R	94.8	Very high	93.6	Very high	87 Å²	87	42.7 Å²	42.7	33%	0.328	24%	0.239	S	C	.	.	H	α-helix	trans	-56.2	-47.4	174.7	179.3	63	65.6	-172.6	1.5	111	H119 V121 L125 M126 D127 I135	H119-R123 VanDerWaalsContact O-CB 3.32Å; H119-R123 WeakPolarHBondContact O-CB 3.24Å; H119-R123 PolarHBondContact O-N 2.91Å; V121-R123 PolarHBondContact O-N 3.42Å; R123-L125 PolarHBondContact O-N 3.29Å; R123-M126 WeakPolarHBondContact O-CB 3.47Å; R123-M126 PolarHBondContact O-N 3.14Å; R123-D127 PolarHBondContact O-N 3Å; R123-I135 HydrophobicContact CB-CD1 4Å
124	K	92.5	Very high	93.8	Very high	40 Å²	40	44.3 Å²	44.3	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-37	179	-70.6	-175.8	180	-156.4	0	112.8	I120 V121 V122 D127 S128 Y382 K383 A385 I388	I120-K124 WeakPolarHBondContact O-CG 3.32Å; I120-K124 PolarHBondContact O-N 3.06Å; V121-K124 PolarHBondContact O-N 3.49Å; V122-K124 VanDerWaalsContact C-N 3.3Å; V122-K124 PolarHBondContact O-N 2.83Å; K124-D127 PolarHBondContact O-N 3.13Å; K124-S128 VanDerWaalsContact O-CB 3.26Å; K124-S128 WeakPolarHBondContact O-CB 3.44Å; K124-S128 PolarHBondContact O-N 2.72Å; K124-S128 PolarHBondContact O-OG 3.13Å; K124-Y382 WeakPolarHBondContact CD-O 3.48Å; K124-Y382 PolarHBondContact NZ-O 3.24Å; K124-K383 VanDerWaalsContact NZ-C 3.26Å; K124-K383 PolarHBondContact NZ-O 3.37Å; K124-A385 PolarHBondContact NZ-O 3.45Å; K124-I388 HydrophobicContact CB-CD1 3.65Å; K124-I388 HydrophobicContact CB-CG1 4.05Å; K124-I388 HydrophobicContact CD-CD1 4.01Å; K124-I388 HydrophobicContact CD-CG1 4.46Å; K124-I388 HydrophobicContact CG-CD1 4.49Å
125	L	93.2	Very high	94.1	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-46.2	173.7	-71.1	171.3	0	0	0	111.3	K88 F95 V121 V122 R123 S128 A129 I388 I390	K88-L125 HydrophobicContact CB-CD1 4.48Å; K88-L125 HydrophobicContact CG-CD1 4.18Å; F95-L125 HydrophobicContact CD2-CB 3.92Å; F95-L125 HydrophobicContact CE2-CB 3.94Å; V121-L125 HydrophobicContact CG1-CD1 4.07Å; V121-L125 HydrophobicContact CG1-CG 4.47Å; V121-L125 WeakPolarHBondContact O-CG 3.28Å; V121-L125 PolarHBondContact O-N 2.93Å; V122-L125 PolarHBondContact O-N 3.37Å; R123-L125 PolarHBondContact O-N 3.29Å; L125-S128 PolarHBondContact O-N 3.34Å; L125-A129 WeakPolarHBondContact O-CB 3.3Å; L125-A129 PolarHBondContact O-N 3.27Å; L125-I388 HydrophobicContact CD2-CB 3.96Å; L125-I388 HydrophobicContact CD2-CG2 3.63Å; L125-I390 HydrophobicContact CD1-CD1 4.39Å; L125-I390 HydrophobicContact CD2-CD1 3.41Å; L125-I390 VanDerWaalsContact CD2-CD1 3.41Å; L125-I390 HydrophobicContact CD2-CG1 3.67Å
126	M	94	Very high	94.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-52.2	175.1	-82.2	-174.5	55.6	0	0	111.7	F95 V122 R123 S128 A129 G130 A131 G133 I135	F95-M126 HydrophobicContact CD1-CG 4.05Å; F95-M126 HydrophobicContact CD2-CG 4.02Å; F95-M126 HydrophobicContact CE1-CG 3.53Å; F95-M126 HydrophobicContact CE1-SD 4.21Å; F95-M126 HydrophobicContact CE2-CB 4.41Å; F95-M126 HydrophobicContact CE2-CG 3.49Å; F95-M126 VanDerWaalsContact CE2-CG 3.49Å; F95-M126 HydrophobicContact CG-CG 4.29Å; F95-M126 HydrophobicContact CZ-CG 3.23Å; F95-M126 HydrophobicContact CZ-SD 4.04Å; V122-M126 PolarHBondContact O-N 3.38Å; R123-M126 WeakPolarHBondContact O-CB 3.47Å; R123-M126 PolarHBondContact O-N 3.14Å; M126-S128 VanDerWaalsContact C-N 3.26Å; M126-S128 PolarHBondContact O-N 3.47Å; M126-A129 PolarHBondContact O-N 2.88Å; M126-G130 PolarHBondContact O-N 3Å; M126-A131 HydrophobicContact CB-CB 4.04Å; M126-A131 HydrophobicContact CE-CB 4.24Å; M126-A131 HydrophobicContact CG-CB 3.97Å; M126-A131 PolarHBondContact O-N 3.11Å; M126-G133 WeakPolarHBondContact CE-O 3.28Å; M126-I135 HydrophobicContact SD-CD1 3.64Å; M126-I135 HydrophobicContact SD-CG1 3.5Å; M126-I135 VanDerWaalsContact SD-CG1 3.5Å
127	D	93.5	Very high	94.4	Very high	102 Å²	102	38.2 Å²	38.2	55%	0.545	22%	0.221	S	C	.	.	H	α-helix	trans	-59.9	-39.4	-178.9	-63.8	-19.2	0	0	0	111.2	R123 K124 G130	R123-D127 PolarHBondContact O-N 3Å; K124-D127 PolarHBondContact O-N 3.13Å; D127-G130 PolarHBondContact O-N 3.38Å
128	S	93.3	Very high	94.8	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.063	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-37.5	179.9	-56.5	0	0	0	0	112.6	K124 L125 M126 G130 R387 I388	K124-S128 VanDerWaalsContact O-CB 3.26Å; K124-S128 WeakPolarHBondContact O-CB 3.44Å; K124-S128 PolarHBondContact O-N 2.72Å; K124-S128 PolarHBondContact O-OG 3.13Å; L125-S128 PolarHBondContact O-N 3.34Å; M126-S128 VanDerWaalsContact C-N 3.26Å; M126-S128 PolarHBondContact O-N 3.47Å; S128-G130 VanDerWaalsContact C-N 3.31Å; S128-R387 VanDerWaalsContact O-CZ 3.23Å; S128-R387 PolarHBondContact O-NH1 2.81Å; S128-R387 PolarHBondContact O-NH2 2.91Å; S128-R387 WeakPolarHBondContact OG-CA 3.46Å; S128-R387 VanDerWaalsContact OG-CG 3.23Å; S128-R387 WeakPolarHBondContact OG-CG 3.48Å; S128-I388 VanDerWaalsContact CB-O 3.29Å; S128-I388 WeakPolarHBondContact CB-O 3.16Å; S128-I388 PolarHBondContact OG-N 3.1Å; S128-I388 PolarHBondContact OG-O 3.11Å
129	A	92.6	Very high	94.9	Very high	33 Å²	33	41.1 Å²	41.1	27%	0.273	24%	0.239	S	C	.	.	H	α-helix	trans	-82.7	-7.3	178.4	0	0	0	0	0	113.5	F95 L125 M126 A131	F95-A129 HydrophobicContact CB-CB 3.58Å; L125-A129 WeakPolarHBondContact O-CB 3.3Å; L125-A129 PolarHBondContact O-N 3.27Å; M126-A129 PolarHBondContact O-N 2.88Å; A129-A131 VanDerWaalsContact C-N 3.31Å
130	G	93.7	Very high	95.1	Very high	52 Å²	52	44.2 Å²	44.2	54%	0.536	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	28.3	-174	0	0	0	0	0	113	M126 D127 S128	M126-G130 PolarHBondContact O-N 3Å; D127-G130 PolarHBondContact O-N 3.38Å; S128-G130 VanDerWaalsContact C-N 3.31Å
131	A	95.4	Very high	95.3	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	25%	0.25	C	C	.	.			trans	-79.3	138.7	173.1	0	0	0	0	0	110.2	F95 K101 M126 A129	F95-A131 HydrophobicContact CB-CB 4.33Å; F95-A131 HydrophobicContact CD1-CB 3.93Å; F95-A131 HydrophobicContact CG-CB 4.21Å; K101-A131 HydrophobicContact CB-CB 4.28Å; K101-A131 HydrophobicContact CG-CB 4.32Å; K101-A131 CarbonylContact O-C 3.52Å; K101-A131 WeakPolarHBondContact O-CA 3.49Å; K101-A131 WeakPolarHBondContact O-CB 3.07Å; M126-A131 HydrophobicContact CB-CB 4.04Å; M126-A131 HydrophobicContact CE-CB 4.24Å; M126-A131 HydrophobicContact CG-CB 3.97Å; M126-A131 PolarHBondContact O-N 3.11Å; A129-A131 VanDerWaalsContact C-N 3.31Å
132	S	95.1	Very high	95.6	Very high	95 Å²	95	47.1 Å²	47.1	66%	0.664	27%	0.265	S	S	*	.			trans	-117.2	9	-171.7	59.3	0	0	0	0	114	K101	K101-S132 PolarHBondContact O-N 3.18Å
133	G	95.2	Very high	95.8	Very high	16 Å²	16	52.4 Å²	52.4	17%	0.165	29%	0.29	C	S	.	.			trans	-64.3	-168.5	178.1	0	0	0	0	0	115.1	K101 T102 A103 M126	K101-G133 PolarHBondContact O-N 3.2Å; T102-G133 VanDerWaalsContact O-CA 3.24Å; T102-G133 WeakPolarHBondContact O-CA 3.32Å; A103-G133 WeakPolarHBondContact O-CA 3.42Å; M126-G133 WeakPolarHBondContact CE-O 3.28Å
134	K	96.2	Very high	96	Very high	125 Å²	125	48.3 Å²	48.3	54%	0.543	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.1	178.5	-176.8	-176.5	177.9	-166.2	0	110.1	A103 H104 I105 T136	A103-K134 PolarHBondContact O-N 3.26Å; H104-K134 CarbonylContact C-O 3.58Å; H104-K134 WeakPolarHBondContact CA-O 3.5Å; I105-K134 PolarHBondContact N-O 3Å; K134-T136 HydrophobicContact CD-CG2 4.17Å; K134-T136 VanDerWaalsContact CE-CG2 3.44Å; K134-T136 HydrophobicContact CG-CG2 4.39Å
135	I	97.8	Very high	96.3	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134	166.8	-48.7	172.3	0	0	0	108.7	I105 L107 V122 R123 M126	I105-I135 CarbonylContact O-C 3.57Å; I105-I135 VanDerWaalsContact O-CA 3.3Å; I105-I135 WeakPolarHBondContact O-CA 3.41Å; L107-I135 HydrophobicContact CD1-CG2 3.92Å; L107-I135 HydrophobicContact CG-CG2 4.18Å; V122-I135 HydrophobicContact CB-CD1 4.3Å; V122-I135 HydrophobicContact CG1-CD1 3.77Å; V122-I135 HydrophobicContact CG1-CG1 4.4Å; R123-I135 HydrophobicContact CB-CD1 4Å; M126-I135 HydrophobicContact SD-CD1 3.64Å; M126-I135 HydrophobicContact SD-CG1 3.5Å; M126-I135 VanDerWaalsContact SD-CG1 3.5Å
136	T	98.3	Very high	96.5	Very high	24 Å²	24	51.4 Å²	51.4	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.2	168.9	53.9	0	0	0	0	109.8	H104 I105 L107 K134 H138	H104-T136 VanDerWaalsContact NE2-CG2 3.34Å; H104-T136 WeakPolarHBondContact NE2-CG2 3.48Å; H104-T136 PolarHBondContact NE2-OG1 2.96Å; I105-T136 PolarHBondContact O-N 3.43Å; L107-T136 PolarHBondContact N-O 2.67Å; K134-T136 HydrophobicContact CD-CG2 4.17Å; K134-T136 VanDerWaalsContact CE-CG2 3.44Å; K134-T136 HydrophobicContact CG-CG2 4.39Å; T136-H138 WeakPolarHBondContact CB-NE2 3.47Å; T136-H138 PolarHBondContact OG1-NE2 3.04Å
137	C	98.3	Very high	96.7	Very high	52 Å²	52	57.1 Å²	57.1	35%	0.351	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	178.4	-60.5	0	0	0	0	109.6	L107 L115	L107-C137 CarbonylContact O-C 3.16Å; L107-C137 WeakPolarHBondContact O-CA 3.22Å; L115-C137 HydrophobicContact CD1-CB 4.19Å; L115-C137 HydrophobicContact CD2-CB 3.97Å; L115-C137 HydrophobicContact CG-CB 4.02Å
138	H	98.5	Very high	96.9	Very high	32 Å²	32	52.6 Å²	52.6	15%	0.148	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.9	-174.1	-58.3	-89.3	0	0	0	110.3	L107 M108 D109 L115 T136 A144	L107-H138 PolarHBondContact O-N 2.84Å; M108-H138 VanDerWaalsContact CA-O 3.29Å; M108-H138 WeakPolarHBondContact CA-O 3.3Å; M108-H138 HydrophobicContact CB-CB 4.34Å; M108-H138 HydrophobicContact CG-CB 4.35Å; D109-H138 PolarHBondContact N-O 3.24Å; L115-H138 WeakPolarHBondContact CD2-O 3.21Å; T136-H138 WeakPolarHBondContact CB-NE2 3.47Å; T136-H138 PolarHBondContact OG1-NE2 3.04Å; H138-A144 HydrophobicContact CB-CB 3.73Å
139	T	97.1	Very high	97.2	Very high	70 Å²	70	55 Å²	55	43%	0.429	31%	0.308	S	S	.	.	S	Bend	trans	-98.7	-11.1	166.4	55.7	0	0	0	0	112.1	M108 L115	M108-T139 WeakPolarHBondContact CE-O 3.48Å; L115-T139 HydrophobicContact CD2-CG2 4.15Å
140	Q	97.8	Very high	97.5	Very high	110 Å²	110	53.5 Å²	53.5	51%	0.514	30%	0.296	S	S	.	.	S	Bend	trans	-105.7	125.6	179.4	-60.2	-62.4	99.4	0	0	109.9	E143 A144	Q140-E143 HydrophobicContact CB-CB 4.23Å; Q140-E143 HydrophobicContact CB-CG 3.99Å; Q140-A144 PolarHBondContact O-N 3.28Å
141	Q	98.1	Very high	97.7	Very high	35 Å²	35	51 Å²	51	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-52.2	-174.2	-179.5	176.5	-79.1	0	0	112.5	I79 M108 E143 A144 L145 Q201 I202 D205	I79-Q141 HydrophobicContact CD1-CG 4.36Å; M108-Q141 HydrophobicContact CE-CB 4.1Å; Q141-E143 VanDerWaalsContact C-N 3.34Å; Q141-E143 PolarHBondContact O-N 3Å; Q141-A144 WeakPolarHBondContact O-CB 3.3Å; Q141-A144 PolarHBondContact O-N 3.42Å; Q141-A144 VanDerWaalsContact O-N 3.1Å; Q141-L145 HydrophobicContact CG-CD1 3.77Å; Q141-L145 HydrophobicContact CG-CG 4.48Å; Q141-L145 WeakPolarHBondContact O-CG 3.48Å; Q141-L145 PolarHBondContact O-N 2.89Å; Q141-L145 VanDerWaalsContact O-N 3.09Å; Q141-Q201 PolarHBondContact NE2-O 2.66Å; Q141-I202 VanDerWaalsContact CD-CG1 3.43Å; Q141-I202 HydrophobicContact CG-CG1 4.4Å; Q141-D205 PolarHBondContact NE2-OD2 3.05Å
142	K	98.4	Very high	97.9	Very high	77 Å²	77	50.6 Å²	50.6	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-39.4	-176.6	-167.7	169.6	178.9	172.9	0	113.5	A144 L145 E146 D205 E208 V209	K142-A144 VanDerWaalsContact C-N 3.33Å; K142-A144 PolarHBondContact O-N 2.7Å; K142-L145 PolarHBondContact O-N 3.04Å; K142-E146 PolarHBondContact O-N 3.15Å; K142-D205 HydrophobicContact CB-CB 4.49Å; K142-D205 HydrophobicContact CG-CB 4.41Å; K142-E208 WeakPolarHBondContact CE-OE1 3.49Å; K142-E208 WeakPolarHBondContact CE-OE2 3.18Å; K142-E208 IonicContact NZ-OE1 3.6Å; K142-E208 PolarHBondContact NZ-OE1 2.78Å; K142-E208 IonicContact NZ-OE2 3.98Å; K142-E208 PolarHBondContact NZ-OE2 3.26Å; K142-V209 HydrophobicContact CD-CG1 4.3Å; K142-V209 VanDerWaalsContact CE-CG1 3.48Å; K142-V209 HydrophobicContact CG-CG1 3.82Å; K142-V209 HydrophobicContact CG-CG2 4.47Å
143	E	98.4	Very high	98	Very high	111 Å²	111	46.1 Å²	46.1	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-37.5	175.6	-64.3	174.1	-163.3	0	0	111.8	Q140 Q141 L145	Q140-E143 HydrophobicContact CB-CB 4.23Å; Q140-E143 HydrophobicContact CB-CG 3.99Å; Q141-E143 VanDerWaalsContact C-N 3.34Å; Q141-E143 PolarHBondContact O-N 3Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.91Å
144	A	98.5	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-39.8	175.2	0	0	0	0	0	111.6	K75 T77 I79 M108 H138 Q140 Q141 K142	K75-A144 VanDerWaalsContact CE-O 3.23Å; K75-A144 WeakPolarHBondContact CE-O 3.4Å; K75-A144 PolarHBondContact NZ-O 3.09Å; T77-A144 HydrophobicContact CG2-CB 3.86Å; T77-A144 PolarHBondContact OG1-O 3.4Å; I79-A144 HydrophobicContact CD1-CB 4.34Å; M108-A144 HydrophobicContact CB-CB 3.65Å; M108-A144 HydrophobicContact CG-CB 3.94Å; H138-A144 HydrophobicContact CB-CB 3.73Å; Q140-A144 PolarHBondContact O-N 3.28Å; Q141-A144 WeakPolarHBondContact O-CB 3.3Å; Q141-A144 PolarHBondContact O-N 3.42Å; Q141-A144 VanDerWaalsContact O-N 3.1Å; K142-A144 VanDerWaalsContact C-N 3.33Å; K142-A144 PolarHBondContact O-N 2.7Å
145	L	98.8	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-77.2	-22.1	-173.4	-70.7	170.6	0	0	0	115.2	T77 I79 Q141 K142 E143 D147 A148 V151 I202 D205 M206 V209 C210	T77-L145 HydrophobicContact CG2-CD2 3.99Å; I79-L145 HydrophobicContact CD1-CD2 4.16Å; I79-L145 HydrophobicContact CD1-CG 4.3Å; I79-L145 HydrophobicContact CG1-CD2 4.35Å; Q141-L145 HydrophobicContact CG-CD1 3.77Å; Q141-L145 HydrophobicContact CG-CG 4.48Å; Q141-L145 WeakPolarHBondContact O-CG 3.48Å; Q141-L145 PolarHBondContact O-N 2.89Å; Q141-L145 VanDerWaalsContact O-N 3.09Å; K142-L145 PolarHBondContact O-N 3.04Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.91Å; L145-D147 PolarHBondContact O-N 3.28Å; L145-A148 WeakPolarHBondContact O-CB 3.31Å; L145-A148 PolarHBondContact O-N 2.95Å; L145-V151 HydrophobicContact CD2-CB 4.27Å; L145-V151 HydrophobicContact CD2-CG1 3.58Å; L145-V151 HydrophobicContact CD2-CG2 3.59Å; L145-I202 HydrophobicContact CD1-CG2 4.37Å; L145-D205 HydrophobicContact CD1-CB 3.53Å; L145-M206 HydrophobicContact CD1-CG 4.22Å; L145-M206 HydrophobicContact CD2-CG 4.1Å; L145-V209 HydrophobicContact CB-CG2 3.69Å; L145-C210 WeakPolarHBondContact O-CB 3.3Å; L145-C210 PolarHBondContact O-SG 3.1Å
146	E	98.5	Very high	97.8	Very high	113 Å²	113	43.2 Å²	43.2	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	124.4	-175.1	-172.1	172.6	-157.9	0	0	112.6	K75 K142 A148	K75-E146 WeakPolarHBondContact CD-O 3.3Å; K75-E146 WeakPolarHBondContact CE-O 3.36Å; K75-E146 PolarHBondContact NZ-O 3.41Å; K142-E146 PolarHBondContact O-N 3.15Å; E146-A148 PolarHBondContact O-N 3.4Å; E146-A148 VanDerWaalsContact O-N 3.13Å
147	D	96.8	Very high	97.7	Very high	122 Å²	122	43.3 Å²	43.3	65%	0.652	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	23.8	-178.7	-53.2	-41.6	0	0	0	115.3	L145 V209	L145-D147 PolarHBondContact O-N 3.28Å; D147-V209 PolarHBondContact N-O 3.11Å; D147-V209 VanDerWaalsContact N-O 3.09Å
148	A	98.7	Very high	97.4	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	21%	0.208	C	C	.	.			trans	-67.2	141.9	174.6	0	0	0	0	0	111.7	T77 L145 E146 V151 C210 A213	T77-A148 WeakPolarHBondContact OG1-CB 3.39Å; L145-A148 WeakPolarHBondContact O-CB 3.31Å; L145-A148 PolarHBondContact O-N 2.95Å; E146-A148 PolarHBondContact O-N 3.4Å; E146-A148 VanDerWaalsContact O-N 3.13Å; A148-V151 HydrophobicContact CB-CG2 3.97Å; A148-C210 HydrophobicContact CB-CB 4.17Å; A148-C210 WeakPolarHBondContact O-CB 3.44Å; A148-A213 VanDerWaalsContact O-CB 3.23Å; A148-A213 WeakPolarHBondContact O-CB 3.32Å
149	D	98.5	Very high	97.2	Very high	59 Å²	59	41 Å²	41	32%	0.316	21%	0.213	S	C	.	.	S	Bend	trans	-92.2	-34.5	168.2	-60.5	-73.7	0	0	0	111	P74 K75 A213 T214 W405	P74-D149 VanDerWaalsContact CA-OD2 3.25Å; P74-D149 WeakPolarHBondContact CA-OD2 3.48Å; P74-D149 HydrophobicContact CB-CB 4.43Å; K75-D149 PolarHBondContact N-OD2 3.48Å; K75-D149 PolarHBondContact O-N 3.28Å; D149-A213 VanDerWaalsContact O-CA 3.24Å; D149-A213 WeakPolarHBondContact O-CA 3.12Å; D149-T214 PolarHBondContact O-N 2.95Å; D149-W405 HydrophobicContact CB-CZ3 4.42Å
150	F	98.8	Very high	96.9	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.8	-179.9	-55.5	-75.5	0	0	0	110.5	P74 K75 I76 T77 M401 I404 W405	P74-F150 HydrophobicContact CB-CD2 4.32Å; P74-F150 HydrophobicContact CB-CE2 4.07Å; K75-F150 PolarHBondContact O-N 3.28Å; K75-F150 VanDerWaalsContact O-N 3.14Å; I76-F150 HydrophobicContact CG1-CB 4.4Å; I76-F150 HydrophobicContact CG1-CD2 4.13Å; T77-F150 PolarHBondContact N-O 3.17Å; F150-M401 HydrophobicContact CB-CG 4.08Å; F150-M401 HydrophobicContact CB-SD 3.96Å; F150-M401 HydrophobicContact CD1-CB 4.49Å; F150-M401 HydrophobicContact CD1-CG 3.72Å; F150-M401 HydrophobicContact CD2-CB 4.36Å; F150-M401 HydrophobicContact CD2-CG 3.9Å; F150-M401 HydrophobicContact CD2-SD 4.21Å; F150-M401 HydrophobicContact CE1-CB 4.39Å; F150-M401 HydrophobicContact CE1-CG 4.09Å; F150-M401 HydrophobicContact CE2-CB 4.26Å; F150-M401 HydrophobicContact CE2-CG 4.25Å; F150-M401 HydrophobicContact CG-CB 4.47Å; F150-M401 HydrophobicContact CG-CG 3.62Å; F150-M401 HydrophobicContact CG-SD 4.05Å; F150-M401 HydrophobicContact CZ-CB 4.27Å; F150-M401 HydrophobicContact CZ-CG 4.34Å; F150-I404 HydrophobicContact CE1-CB 4.02Å; F150-I404 HydrophobicContact CE1-CD1 4.15Å; F150-I404 HydrophobicContact CE1-CG2 3.97Å; F150-I404 HydrophobicContact CZ-CB 4.12Å; F150-I404 HydrophobicContact CZ-CG2 4.02Å; F150-W405 AromaticContact CE2-CE3 3.99Å; F150-W405 HydrophobicContact CE2-CE3 3.99Å; F150-W405 HydrophobicContact CZ-CB 4.42Å; F150-W405 HydrophobicContact CZ-CE3 4.28Å
151	V	98.8	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.3	178	-177.7	0	0	0	0	108.9	T77 I79 L145 A148 V153 M206 A213 T214 M215 L216	T77-V151 CarbonylContact O-C 3.57Å; T77-V151 WeakPolarHBondContact O-CA 3.29Å; I79-V151 HydrophobicContact CG1-CG1 4.12Å; L145-V151 HydrophobicContact CD2-CB 4.27Å; L145-V151 HydrophobicContact CD2-CG1 3.58Å; L145-V151 HydrophobicContact CD2-CG2 3.59Å; A148-V151 HydrophobicContact CB-CG2 3.97Å; V151-V153 HydrophobicContact CG1-CG1 4.09Å; V151-M206 HydrophobicContact CB-CE 4.15Å; V151-M206 HydrophobicContact CB-SD 4.13Å; V151-M206 HydrophobicContact CG1-SD 4.18Å; V151-M206 HydrophobicContact CG2-CE 3.83Å; V151-M206 HydrophobicContact CG2-CG 4.36Å; V151-M206 HydrophobicContact CG2-SD 4.04Å; V151-A213 HydrophobicContact CG2-CB 4.14Å; V151-T214 PolarHBondContact N-O 3.33Å; V151-M215 CarbonylContact O-C 3.55Å; V151-M215 VanDerWaalsContact O-CA 3.3Å; V151-M215 WeakPolarHBondContact O-CA 3.32Å; V151-L216 PolarHBondContact O-N 2.76Å
152	V	98.6	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.6	172.7	-172.9	0	0	0	0	108.4	I76 T77 F78 I79 I90 L216 Y218 M401	I76-V152 HydrophobicContact CG2-CG2 4.42Å; T77-V152 PolarHBondContact O-N 3.02Å; F78-V152 WeakPolarHBondContact CA-O 3.45Å; F78-V152 HydrophobicContact CD2-CB 3.75Å; F78-V152 HydrophobicContact CD2-CG1 3.94Å; F78-V152 HydrophobicContact CD2-CG2 4.2Å; F78-V152 HydrophobicContact CE1-CG1 4.33Å; F78-V152 HydrophobicContact CE2-CB 3.9Å; F78-V152 HydrophobicContact CE2-CG1 3.53Å; F78-V152 HydrophobicContact CE2-CG2 4.4Å; F78-V152 HydrophobicContact CG-CB 4.15Å; F78-V152 HydrophobicContact CG-CG1 4.49Å; F78-V152 HydrophobicContact CZ-CB 4.42Å; F78-V152 HydrophobicContact CZ-CG1 3.75Å; I79-V152 PolarHBondContact N-O 3.45Å; I90-V152 HydrophobicContact CD1-CG1 3.95Å; V152-L216 HydrophobicContact CG2-CB 4.36Å; V152-L216 HydrophobicContact CG2-CD1 4.22Å; V152-Y218 HydrophobicContact CG1-CD2 4.14Å; V152-Y218 HydrophobicContact CG1-CE2 4.43Å; V152-M401 HydrophobicContact CG2-CE 4.37Å
153	V	98.3	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.8	174.5	-59.8	0	0	0	0	109.4	I79 V151 F155 L199 I202 M215 L216 N217 Y218 V219	I79-V153 HydrophobicContact CB-CG1 4.14Å; I79-V153 HydrophobicContact CG1-CG1 4.34Å; V151-V153 HydrophobicContact CG1-CG1 4.09Å; V153-F155 HydrophobicContact CB-CD1 4.34Å; V153-F155 HydrophobicContact CB-CE1 3.9Å; V153-F155 HydrophobicContact CG1-CE1 4.4Å; V153-L199 HydrophobicContact CG2-CD2 4.08Å; V153-I202 HydrophobicContact CG1-CD1 3.9Å; V153-I202 HydrophobicContact CG1-CG2 4.31Å; V153-M215 HydrophobicContact CG1-CG 4.31Å; V153-M215 HydrophobicContact CG1-SD 4.36Å; V153-M215 HydrophobicContact CG2-CG 4.2Å; V153-M215 HydrophobicContact CG2-SD 4.09Å; V153-L216 PolarHBondContact N-O 2.95Å; V153-L216 VanDerWaalsContact N-O 3.07Å; V153-N217 HydrophobicContact CG2-CB 3.85Å; V153-N217 WeakPolarHBondContact CG2-OD1 3.38Å; V153-Y218 PolarHBondContact O-N 3.22Å; V153-V219 HydrophobicContact CB-CG2 4.31Å; V153-V219 HydrophobicContact CG2-CG2 4.13Å
154	A	95.7	Very high	96.6	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	18%	0.18	C	C	.	.			trans	-147.6	77.3	-180	0	0	0	0	0	110.9	F78 I79 S83 F86	F78-A154 HydrophobicContact CE1-CB 3.83Å; F78-A154 HydrophobicContact CZ-CB 4.03Å; I79-A154 PolarHBondContact O-N 3.38Å; S83-A154 WeakPolarHBondContact CB-O 3.38Å; F86-A154 HydrophobicContact CB-CB 4.33Å; F86-A154 HydrophobicContact CG-CB 4.47Å
155	F	95.1	Very high	96.5	Very high	34 Å²	34	35.1 Å²	35.1	15%	0.149	19%	0.187	C	C	.	.			trans	-131.3	170.6	179.8	55.6	-98.5	0	0	0	111.8	I79 V153 I157 T195 H198 L199 I202 V219	I79-F155 HydrophobicContact CG2-CD1 4.21Å; I79-F155 HydrophobicContact CG2-CE1 4.32Å; V153-F155 HydrophobicContact CB-CD1 4.34Å; V153-F155 HydrophobicContact CB-CE1 3.9Å; V153-F155 HydrophobicContact CG1-CE1 4.4Å; F155-I157 HydrophobicContact CD2-CD1 3.63Å; F155-I157 HydrophobicContact CD2-CG1 4.02Å; F155-I157 HydrophobicContact CE2-CD1 3.75Å; F155-I157 HydrophobicContact CE2-CG1 3.95Å; F155-T195 HydrophobicContact CE2-CG2 4.08Å; F155-H198 HydrophobicContact CE2-CB 4.41Å; F155-L199 HydrophobicContact CE1-CD2 4.18Å; F155-L199 HydrophobicContact CZ-CD2 3.67Å; F155-L199 HydrophobicContact CZ-CG 4.01Å; F155-I202 HydrophobicContact CE1-CD1 3.51Å; F155-I202 HydrophobicContact CZ-CD1 3.88Å; F155-V219 HydrophobicContact CD1-CG2 4.11Å; F155-V219 HydrophobicContact CD2-CG1 4.42Å; F155-V219 HydrophobicContact CD2-CG2 4.39Å; F155-V219 HydrophobicContact CE1-CG2 4.05Å; F155-V219 HydrophobicContact CE2-CG1 4.26Å; F155-V219 HydrophobicContact CE2-CG2 4.34Å; F155-V219 HydrophobicContact CG-CG2 4.28Å; F155-V219 HydrophobicContact CZ-CG2 4.18Å; F155-V219 WeakPolarHBondContact O-CG1 3.28Å
156	Q	93.8	Very high	96.5	Very high	53 Å²	53	36.2 Å²	36.2	25%	0.248	19%	0.194	C	C	.	.			trans	-135.4	116.3	172.4	177.4	-179.8	-17.1	0	0	109	G158 G159 T164 Y364	Q156-G158 PolarHBondContact O-N 2.79Å; Q156-G159 VanDerWaalsContact NE2-C 3.34Å; Q156-G159 PolarHBondContact NE2-O 2.91Å; Q156-G159 PolarHBondContact O-N 2.91Å; Q156-T164 PolarHBondContact NE2-OG1 3.01Å; Q156-Y364 PolarHBondContact OE1-OH 3.23Å
157	I	95.4	Very high	96.5	Very high	26 Å²	26	31 Å²	31	13%	0.133	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	125.7	178.5	-55.1	-55.8	0	0	0	109.7	F155 G159 R194 H198	F155-I157 HydrophobicContact CD2-CD1 3.63Å; F155-I157 HydrophobicContact CD2-CG1 4.02Å; F155-I157 HydrophobicContact CE2-CD1 3.75Å; F155-I157 HydrophobicContact CE2-CG1 3.95Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 3.31Å; I157-R194 HydrophobicContact CB-CB 4.16Å; I157-R194 HydrophobicContact CG2-CB 3.96Å; I157-H198 HydrophobicContact CD1-CB 4.13Å; I157-H198 HydrophobicContact CG1-CB 4.48Å
158	G	93.8	Very high	96.6	Very high	11 Å²	11	25.7 Å²	25.7	11%	0.113	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-2	-179.5	0	0	0	0	0	116	Q156 E161 P162 C163	Q156-G158 PolarHBondContact O-N 2.79Å; G158-E161 CarbonylContact O-C 3.52Å; G158-P162 WeakPolarHBondContact O-CD 3.26Å; G158-C163 VanDerWaalsContact CA-SG 3.55Å; G158-C163 PolarHBondContact O-N 3.32Å
159	G	92.5	Very high	96.6	Very high	26 Å²	26	30.7 Å²	30.7	27%	0.268	16%	0.163	S	C	.	.	I	π-helix	trans	58.3	-166.3	173.4	0	0	0	0	0	115.5	Q156 I157 T164	Q156-G159 VanDerWaalsContact NE2-C 3.34Å; Q156-G159 PolarHBondContact NE2-O 2.91Å; Q156-G159 PolarHBondContact O-N 2.91Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 3.31Å; G159-T164 PolarHBondContact O-N 3Å; G159-T164 PolarHBondContact O-OG1 3Å
160	Y	92.2	Very high	96.6	Very high	50 Å²	50	28 Å²	28	20%	0.196	15%	0.148	C	C	.	.	I	π-helix	trans	-66.4	-58.2	174.4	170.9	-127.5	0	0	0	110.5	P162 T164 V165 P365 C368 V369 L372	Y160-P162 CarbonylContact O-C 3.58Å; Y160-T164 HydrophobicContact CD2-CG2 3.95Å; Y160-T164 HydrophobicContact CE2-CG2 4.33Å; Y160-T164 WeakPolarHBondContact O-CA 3.24Å; Y160-T164 VanDerWaalsContact O-CB 3.3Å; Y160-T164 WeakPolarHBondContact O-CB 3.49Å; Y160-T164 PolarHBondContact O-N 3.35Å; Y160-V165 HydrophobicContact CD2-CG2 4.13Å; Y160-V165 HydrophobicContact CE1-CG2 4.32Å; Y160-V165 HydrophobicContact CE2-CG2 3.55Å; Y160-V165 PolarHBondContact O-N 3.47Å; Y160-P365 HydrophobicContact CE2-CB 3.85Å; Y160-C368 HydrophobicContact CD1-CB 4.03Å; Y160-C368 HydrophobicContact CD2-CB 3.41Å; Y160-C368 VanDerWaalsContact CD2-CB 3.41Å; Y160-C368 HydrophobicContact CE1-CB 4.39Å; Y160-C368 HydrophobicContact CE2-CB 3.86Å; Y160-C368 HydrophobicContact CG-CB 3.53Å; Y160-V369 HydrophobicContact CE1-CG2 3.83Å; Y160-L372 HydrophobicContact CD1-CD1 4.31Å
161	E	93.8	Very high	96.6	Very high	143 Å²	143	27.8 Å²	27.8	67%	0.668	15%	0.148	S	C	*	.	I	π-helix	trans	-106	127.3	170.2	-76	177.4	-149.8	0	0	109.3	G158 V165	G158-E161 CarbonylContact O-C 3.52Å; E161-V165 HydrophobicContact CG-CB 4.46Å; E161-V165 HydrophobicContact CG-CG2 3.65Å
162	P	95.9	Very high	96.5	Very high	58 Å²	58	32 Å²	32	38%	0.377	17%	0.166	S	C	.	.	I	π-helix	cis	-91.3	-18.5	6.7	34.8	-35.5	0	0	0	114.9	G158 Y160 V165 T166 W513	G158-P162 WeakPolarHBondContact O-CD 3.26Å; Y160-P162 CarbonylContact O-C 3.58Å; P162-V165 PolarHBondContact O-N 3.16Å; P162-T166 WeakPolarHBondContact O-CB 3.43Å; P162-T166 PolarHBondContact O-N 3.43Å; P162-T166 PolarHBondContact O-OG1 3Å; P162-W513 HydrophobicContact CG-CZ2 4.4Å
163	C	97.9	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-72.6	-48.1	-158.3	-76.9	0	0	0	0	114.5	G158 V165 T166 D167 R194 H510	G158-C163 VanDerWaalsContact CA-SG 3.55Å; G158-C163 PolarHBondContact O-N 3.32Å; C163-V165 VanDerWaalsContact C-N 3.31Å; C163-V165 PolarHBondContact O-N 3.45Å; C163-T166 WeakPolarHBondContact O-CB 3.34Å; C163-T166 PolarHBondContact O-N 3.46Å; C163-D167 PolarHBondContact O-N 2.71Å; C163-R194 VanDerWaalsContact SG-CD 3.59Å; C163-H510 PolarHBondContact O-CE1 3.32Å
164	T	97.2	Very high	96.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	20%	0.204	C	C	.	.	I	π-helix	trans	-60.7	-43.5	176	-63.6	0	0	0	0	111.2	Q156 G159 Y160 T166 D167 F168 Y364 P365	Q156-T164 PolarHBondContact NE2-OG1 3.01Å; G159-T164 PolarHBondContact O-N 3Å; G159-T164 PolarHBondContact O-OG1 3Å; Y160-T164 HydrophobicContact CD2-CG2 3.95Å; Y160-T164 HydrophobicContact CE2-CG2 4.33Å; Y160-T164 WeakPolarHBondContact O-CA 3.24Å; Y160-T164 VanDerWaalsContact O-CB 3.3Å; Y160-T164 WeakPolarHBondContact O-CB 3.49Å; Y160-T164 PolarHBondContact O-N 3.35Å; T164-T166 VanDerWaalsContact C-N 3.28Å; T164-T166 PolarHBondContact O-N 3.37Å; T164-D167 PolarHBondContact O-N 3.44Å; T164-F168 HydrophobicContact CG2-CD2 4.07Å; T164-F168 HydrophobicContact CG2-CE2 4.09Å; T164-F168 WeakPolarHBondContact O-CD2 3.48Å; T164-F168 PolarHBondContact O-N 2.95Å; T164-Y364 HydrophobicContact CG2-CD1 3.53Å; T164-Y364 HydrophobicContact CG2-CE1 3.85Å; T164-P365 HydrophobicContact CG2-CG 4.36Å
165	V	97.9	Very high	96.6	Very high	26 Å²	26	43.2 Å²	43.2	16%	0.158	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-44.2	176.4	172.9	0	0	0	0	110.7	Y160 E161 P162 C163 D167 F168 E169	Y160-V165 HydrophobicContact CD2-CG2 4.13Å; Y160-V165 HydrophobicContact CE1-CG2 4.32Å; Y160-V165 HydrophobicContact CE2-CG2 3.55Å; Y160-V165 PolarHBondContact O-N 3.47Å; E161-V165 HydrophobicContact CG-CB 4.46Å; E161-V165 HydrophobicContact CG-CG2 3.65Å; P162-V165 PolarHBondContact O-N 3.16Å; C163-V165 VanDerWaalsContact C-N 3.31Å; C163-V165 PolarHBondContact O-N 3.45Å; V165-D167 PolarHBondContact O-N 3.24Å; V165-F168 PolarHBondContact O-N 3.42Å; V165-E169 VanDerWaalsContact CG1-CD 3.49Å; V165-E169 HydrophobicContact CG1-CG 3.89Å; V165-E169 WeakPolarHBondContact O-CB 3.38Å; V165-E169 WeakPolarHBondContact O-CG 3.2Å; V165-E169 PolarHBondContact O-N 2.88Å
166	T	98.5	Very high	96.7	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.141	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-45.9	177.2	-58.8	0	0	0	0	112.1	P162 C163 T164 F168 E169 V170 A509	P162-T166 WeakPolarHBondContact O-CB 3.43Å; P162-T166 PolarHBondContact O-N 3.43Å; P162-T166 PolarHBondContact O-OG1 3Å; C163-T166 WeakPolarHBondContact O-CB 3.34Å; C163-T166 PolarHBondContact O-N 3.46Å; T164-T166 VanDerWaalsContact C-N 3.28Å; T164-T166 PolarHBondContact O-N 3.37Å; T166-F168 PolarHBondContact O-N 3.21Å; T166-E169 PolarHBondContact O-N 3.38Å; T166-V170 HydrophobicContact CG2-CG2 3.74Å; T166-V170 WeakPolarHBondContact O-CB 3.4Å; T166-V170 WeakPolarHBondContact O-CG2 3.38Å; T166-V170 PolarHBondContact O-N 2.86Å; T166-A509 HydrophobicContact CG2-CB 3.59Å
167	D	98.3	Very high	96.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-34.9	178.6	-66.3	-34.4	0	0	0	111.7	C163 T164 V165 C171 Q178 R194 H510	C163-D167 PolarHBondContact O-N 2.71Å; T164-D167 PolarHBondContact O-N 3.44Å; V165-D167 PolarHBondContact O-N 3.24Å; D167-C171 PolarHBondContact O-SG 3.4Å; D167-Q178 PolarHBondContact O-NE2 3.01Å; D167-R194 IonicContact OD1-CZ 3.77Å; D167-R194 IonicContact OD1-NH1 3.47Å; D167-R194 PolarHBondContact OD1-NH1 3.46Å; D167-R194 IonicContact OD1-NH2 3.87Å; D167-R194 IonicContact OD2-CZ 3.13Å; D167-R194 IonicContact OD2-NH1 2.72Å; D167-R194 PolarHBondContact OD2-NH1 3.4Å; D167-R194 IonicContact OD2-NH2 3.96Å; D167-R194 PolarHBondContact OD2-NH2 3.13Å; D167-H510 IonicContact OD1-CD2 3.94Å; D167-H510 IonicContact OD1-CE1 3.49Å; D167-H510 PolarHBondContact OD1-CE1 3.16Å; D167-H510 IonicContact OD1-NE2 2.85Å; D167-H510 PolarHBondContact OD1-NE2 3.39Å
168	F	98.4	Very high	97	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-84.7	-49.6	178	-83.8	-99.4	0	0	0	113.3	T164 V165 T166 C171 K172 Q178 T179 I180 A181 Y364 P365	T164-F168 HydrophobicContact CG2-CD2 4.07Å; T164-F168 HydrophobicContact CG2-CE2 4.09Å; T164-F168 WeakPolarHBondContact O-CD2 3.48Å; T164-F168 PolarHBondContact O-N 2.95Å; V165-F168 PolarHBondContact O-N 3.42Å; T166-F168 PolarHBondContact O-N 3.21Å; F168-C171 PolarHBondContact O-N 3.28Å; F168-K172 WeakPolarHBondContact O-CB 3.31Å; F168-K172 PolarHBondContact O-N 3.13Å; F168-Q178 HydrophobicContact CD1-CB 4.13Å; F168-Q178 HydrophobicContact CE1-CB 3.77Å; F168-Q178 HydrophobicContact CZ-CB 4.33Å; F168-T179 WeakPolarHBondContact CZ-O 3.33Å; F168-I180 WeakPolarHBondContact CE2-O 3.27Å; F168-I180 WeakPolarHBondContact CZ-O 3.46Å; F168-A181 HydrophobicContact CD2-CB 4.12Å; F168-A181 HydrophobicContact CE1-CB 4.48Å; F168-A181 HydrophobicContact CE2-CB 3.49Å; F168-A181 VanDerWaalsContact CE2-CB 3.49Å; F168-A181 HydrophobicContact CZ-CB 3.7Å; F168-Y364 HydrophobicContact CE2-CD1 4.4Å; F168-P365 HydrophobicContact CB-CG 4.38Å; F168-P365 HydrophobicContact CD1-CG 3.91Å; F168-P365 HydrophobicContact CD2-CG 3.69Å; F168-P365 HydrophobicContact CE1-CG 4.08Å; F168-P365 HydrophobicContact CE2-CG 3.85Å; F168-P365 HydrophobicContact CG-CG 3.71Å; F168-P365 VanDerWaalsContact CZ-CD 3.45Å; F168-P365 HydrophobicContact CZ-CG 4.05Å
169	E	98.3	Very high	97.2	Very high	111 Å²	111	41 Å²	41	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-41	-172.8	-74.4	-170.1	168.3	0	0	112.4	V165 T166 K172 R173	V165-E169 VanDerWaalsContact CG1-CD 3.49Å; V165-E169 HydrophobicContact CG1-CG 3.89Å; V165-E169 WeakPolarHBondContact O-CB 3.38Å; V165-E169 WeakPolarHBondContact O-CG 3.2Å; V165-E169 PolarHBondContact O-N 2.88Å; T166-E169 PolarHBondContact O-N 3.38Å; E169-K172 PolarHBondContact O-N 3.37Å; E169-R173 WeakPolarHBondContact O-CG 3.2Å; E169-R173 PolarHBondContact O-N 3.44Å; E169-R173 VanDerWaalsContact O-N 3.07Å
170	V	98.7	Very high	97.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-50.5	178	-177.4	0	0	0	0	109.6	T166 K172 R173 H174 L502 D505 L506 A509	T166-V170 HydrophobicContact CG2-CG2 3.74Å; T166-V170 WeakPolarHBondContact O-CB 3.4Å; T166-V170 WeakPolarHBondContact O-CG2 3.38Å; T166-V170 PolarHBondContact O-N 2.86Å; V170-K172 VanDerWaalsContact C-N 3.3Å; V170-K172 PolarHBondContact O-N 3.46Å; V170-R173 WeakPolarHBondContact O-CB 3.34Å; V170-R173 PolarHBondContact O-N 2.92Å; V170-R173 VanDerWaalsContact O-N 3.11Å; V170-H174 PolarHBondContact O-CD2 3.15Å; V170-H174 PolarHBondContact O-N 3.42Å; V170-L502 HydrophobicContact CG1-CD1 4.01Å; V170-D505 HydrophobicContact CG1-CB 3.73Å; V170-L506 HydrophobicContact CB-CD2 3.64Å; V170-L506 HydrophobicContact CB-CG 4.12Å; V170-L506 HydrophobicContact CG1-CD2 3.87Å; V170-L506 HydrophobicContact CG1-CG 3.75Å; V170-L506 HydrophobicContact CG2-CD2 4.06Å; V170-A509 HydrophobicContact CG2-CB 3.85Å
171	C	98.6	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-43.8	177.9	-67	0	0	0	0	112.2	D167 F168 R173 H174 G175 L176 Q178 L502	D167-C171 PolarHBondContact O-SG 3.4Å; F168-C171 PolarHBondContact O-N 3.28Å; C171-R173 VanDerWaalsContact C-N 3.33Å; C171-R173 PolarHBondContact O-N 3.09Å; C171-H174 CarbonylContact O-C 3.49Å; C171-H174 WeakPolarHBondContact O-CA 2.97Å; C171-H174 PolarHBondContact O-N 3.29Å; C171-G175 PolarHBondContact O-N 2.95Å; C171-L176 CarbonylContact C-O 3.53Å; C171-L176 HydrophobicContact CB-CB 4.21Å; C171-L176 HydrophobicContact CB-CD2 4.35Å; C171-L176 WeakPolarHBondContact CB-O 3.43Å; C171-L176 PolarHBondContact O-N 3.44Å; C171-Q178 VanDerWaalsContact CB-NE2 3.29Å; C171-Q178 PolarHBondContact SG-NE2 3.3Å; C171-Q178 VanDerWaalsContact SG-NE2 3.38Å; C171-L502 HydrophobicContact CB-CD1 4.42Å
172	K	97.7	Very high	97.6	Very high	88 Å²	88	31.1 Å²	31.1	38%	0.383	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-36.6	178.4	-175.2	170.8	-72.7	174.9	0	112.9	F168 E169 V170 H174 G175 L176 D362	F168-K172 WeakPolarHBondContact O-CB 3.31Å; F168-K172 PolarHBondContact O-N 3.13Å; E169-K172 PolarHBondContact O-N 3.37Å; V170-K172 VanDerWaalsContact C-N 3.3Å; V170-K172 PolarHBondContact O-N 3.46Å; K172-H174 PolarHBondContact O-N 3.16Å; K172-G175 PolarHBondContact O-N 2.6Å; K172-L176 PolarHBondContact N-O 3.47Å; K172-D362 WeakPolarHBondContact CE-OD1 3.4Å; K172-D362 IonicContact NZ-OD1 3.78Å; K172-D362 PolarHBondContact NZ-OD1 2.54Å; K172-D362 IonicContact NZ-OD2 3.89Å; K172-D362 PolarHBondContact NZ-OD2 3.32Å
173	R	98.2	Very high	97.6	Very high	157 Å²	157	28.6 Å²	28.6	59%	0.592	14%	0.142	S	C	*	.	H	α-helix	trans	-62.4	-28.6	174.3	-72.4	-169.4	-54.5	-101.6	9.2	112.8	E169 V170 C171 G175	E169-R173 WeakPolarHBondContact O-CG 3.2Å; E169-R173 PolarHBondContact O-N 3.44Å; E169-R173 VanDerWaalsContact O-N 3.07Å; V170-R173 WeakPolarHBondContact O-CB 3.34Å; V170-R173 PolarHBondContact O-N 2.92Å; V170-R173 VanDerWaalsContact O-N 3.11Å; C171-R173 VanDerWaalsContact C-N 3.33Å; C171-R173 PolarHBondContact O-N 3.09Å; R173-G175 VanDerWaalsContact C-N 3.32Å
174	H	98.3	Very high	97.5	Very high	43 Å²	43	28.6 Å²	28.6	20%	0.199	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.8	174.5	-74.2	-90.3	0	0	0	113.3	V170 C171 K172 L494 L502 D505	V170-H174 PolarHBondContact O-CD2 3.15Å; V170-H174 PolarHBondContact O-N 3.42Å; C171-H174 CarbonylContact O-C 3.49Å; C171-H174 WeakPolarHBondContact O-CA 2.97Å; C171-H174 PolarHBondContact O-N 3.29Å; K172-H174 PolarHBondContact O-N 3.16Å; H174-L494 WeakPolarHBondContact O-CD2 3.35Å; H174-L502 HydrophobicContact CB-CB 4.32Å; H174-L502 HydrophobicContact CB-CD1 4.1Å; H174-L502 PolarHBondContact CE1-N 3.35Å; H174-D505 IonicContact CD2-OD2 3.54Å; H174-D505 IonicContact CE1-OD2 3.65Å; H174-D505 PolarHBondContact CE1-OD2 3.23Å; H174-D505 IonicContact NE2-OD2 2.73Å; H174-D505 PolarHBondContact NE2-OD2 2.7Å
175	G	97.2	Very high	97.5	Very high	42 Å²	42	28.6 Å²	28.6	43%	0.433	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	10.3	-179.4	0	0	0	0	0	114.6	C171 K172 R173	C171-G175 PolarHBondContact O-N 2.95Å; K172-G175 PolarHBondContact O-N 2.6Å; R173-G175 VanDerWaalsContact C-N 3.32Å
176	L	98.2	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.135	C	C	.	.			trans	-96.9	102.8	174.5	-175	68.6	0	0	0	110	C171 K172 P186 T490 V493 L494 L502	C171-L176 CarbonylContact C-O 3.53Å; C171-L176 HydrophobicContact CB-CB 4.21Å; C171-L176 HydrophobicContact CB-CD2 4.35Å; C171-L176 WeakPolarHBondContact CB-O 3.43Å; C171-L176 PolarHBondContact O-N 3.44Å; K172-L176 PolarHBondContact N-O 3.47Å; L176-P186 HydrophobicContact CD2-CG 3.64Å; L176-T490 HydrophobicContact CD2-CG2 4.21Å; L176-V493 HydrophobicContact CD1-CB 4.05Å; L176-V493 HydrophobicContact CD1-CG1 4.14Å; L176-V493 HydrophobicContact CD1-CG2 4.23Å; L176-L494 HydrophobicContact CB-CD1 4.24Å; L176-L502 HydrophobicContact CD2-CD2 3.91Å
177	E	97.6	Very high	97.5	Very high	73 Å²	73	26.4 Å²	26.4	34%	0.341	13%	0.128	S	C	.	.			trans	-80.5	149.8	173.8	-60.4	-170.3	102.2	0	0	110.6	I346 L361 H489	E177-I346 HydrophobicContact CB-CG2 4.16Å; E177-L361 HydrophobicContact CB-CD1 4.36Å; E177-L361 HydrophobicContact CB-CD2 4.14Å; E177-L361 WeakPolarHBondContact OE1-CD1 3.37Å; E177-H489 PolarHBondContact O-CE1 3.48Å
178	Q	97.8	Very high	97.5	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.014	13%	0.127	C	C	.	.			trans	-136.2	162.2	-176.7	-72.1	176.4	116	0	0	109.8	D167 F168 C171 A181 E340 D362	D167-Q178 PolarHBondContact O-NE2 3.01Å; F168-Q178 HydrophobicContact CD1-CB 4.13Å; F168-Q178 HydrophobicContact CE1-CB 3.77Å; F168-Q178 HydrophobicContact CZ-CB 4.33Å; C171-Q178 VanDerWaalsContact CB-NE2 3.29Å; C171-Q178 PolarHBondContact SG-NE2 3.3Å; C171-Q178 VanDerWaalsContact SG-NE2 3.38Å; Q178-A181 HydrophobicContact CB-CB 4.15Å; Q178-A181 HydrophobicContact CG-CB 4.34Å; Q178-A181 VanDerWaalsContact OE1-CB 3.29Å; Q178-E340 WeakPolarHBondContact CA-OE2 3.48Å; Q178-E340 VanDerWaalsContact CB-OE2 3.3Å; Q178-E340 WeakPolarHBondContact CB-OE2 3.36Å; Q178-D362 PolarHBondContact O-N 3Å
179	T	97.2	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-105.4	-53.5	174.2	54.9	0	0	0	0	110.2	F168 E336 E340 I346 V359 P360 L361 E363 Y364	F168-T179 WeakPolarHBondContact CZ-O 3.33Å; T179-E336 WeakPolarHBondContact CB-O 3.35Å; T179-E336 PolarHBondContact OG1-O 3.06Å; T179-E340 PolarHBondContact N-OE2 3.31Å; T179-E340 PolarHBondContact OG1-OE2 2.87Å; T179-I346 HydrophobicContact CG2-CD1 3.78Å; T179-V359 HydrophobicContact CG2-CG1 3.57Å; T179-P360 WeakPolarHBondContact CG2-O 3.37Å; T179-L361 HydrophobicContact CG2-CD2 4.3Å; T179-E363 WeakPolarHBondContact O-CB 3.48Å; T179-E363 PolarHBondContact O-N 2.86Å; T179-Y364 PolarHBondContact O-N 3.21Å
180	I	96.1	Very high	97.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.102	C	C	.	.			trans	-122.9	-41.7	-172.8	-55.6	-64.6	0	0	0	112.9	F168 D182 E336 H337 E340 E363 Y364	F168-I180 WeakPolarHBondContact CE2-O 3.27Å; F168-I180 WeakPolarHBondContact CZ-O 3.46Å; I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 HydrophobicContact CG2-CB 3.94Å; I180-D182 VanDerWaalsContact CG2-CG 3.48Å; I180-D182 VanDerWaalsContact CG2-OD1 3.32Å; I180-D182 WeakPolarHBondContact CG2-OD1 3.4Å; I180-D182 PolarHBondContact O-N 3.32Å; I180-E336 HydrophobicContact CD1-CG 3.92Å; I180-E336 HydrophobicContact CG1-CB 4.44Å; I180-E336 HydrophobicContact CG1-CG 3.95Å; I180-H337 WeakPolarHBondContact CG2-NE2 3.26Å; I180-E340 PolarHBondContact N-OE2 3.35Å; I180-E340 VanDerWaalsContact N-OE2 3.15Å; I180-E363 HydrophobicContact CD1-CB 4Å; I180-E363 HydrophobicContact CD1-CG 3.98Å; I180-Y364 HydrophobicContact CG2-CD2 4.27Å; I180-Y364 HydrophobicContact CG2-CG 4.18Å
181	A	97	Very high	97.5	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.025	10%	0.103	C	C	.	.			trans	58	32	174.8	0	0	0	0	0	115.1	F168 Q178 G187 G188 E340	F168-A181 HydrophobicContact CD2-CB 4.12Å; F168-A181 HydrophobicContact CE1-CB 4.48Å; F168-A181 HydrophobicContact CE2-CB 3.49Å; F168-A181 VanDerWaalsContact CE2-CB 3.49Å; F168-A181 HydrophobicContact CZ-CB 3.7Å; Q178-A181 HydrophobicContact CB-CB 4.15Å; Q178-A181 HydrophobicContact CG-CB 4.34Å; Q178-A181 VanDerWaalsContact OE1-CB 3.29Å; A181-G187 CarbonylContact O-C 3.57Å; A181-G188 PolarHBondContact O-N 3.26Å; A181-E340 WeakPolarHBondContact CA-OE1 3.42Å; A181-E340 PolarHBondContact N-OE1 3.3Å; A181-E340 PolarHBondContact N-OE2 2.87Å; A181-E340 VanDerWaalsContact N-OE2 3.16Å
182	D	95.5	Very high	97.5	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.037	10%	0.103	C	C	.	.	S	Bend	trans	-116.5	-7.2	-176	81.8	-27.2	0	0	0	115.6	I180 R191 N220 P221 H337	I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 HydrophobicContact CG2-CB 3.94Å; I180-D182 VanDerWaalsContact CG2-CG 3.48Å; I180-D182 VanDerWaalsContact CG2-OD1 3.32Å; I180-D182 WeakPolarHBondContact CG2-OD1 3.4Å; I180-D182 PolarHBondContact O-N 3.32Å; D182-R191 VanDerWaalsContact CB-NH1 3.34Å; D182-N220 PolarHBondContact OD2-ND2 3Å; D182-P221 WeakPolarHBondContact O-CA 3.27Å; D182-P221 WeakPolarHBondContact O-CB 3.34Å; D182-H337 IonicContact OD1-CD2 3.65Å; D182-H337 IonicContact OD1-NE2 2.82Å
183	T	95.2	Very high	97.6	Very high	6 Å²	6	17 Å²	17	4%	0.037	9%	0.085	C	C	.	.	S	Bend	trans	-125.6	-51.2	-167.4	-60.6	0	0	0	0	112.6	P221 M224 H272 Y341	T183-P221 VanDerWaalsContact O-CB 3.3Å; T183-P221 WeakPolarHBondContact O-CB 3.35Å; T183-M224 VanDerWaalsContact O-CE 3.3Å; T183-M224 WeakPolarHBondContact O-CE 3.34Å; T183-H272 HydrophobicContact CG2-CB 3.78Å; T183-H272 WeakPolarHBondContact CG2-ND1 3.17Å; T183-H272 PolarHBondContact OG1-CE1 3.38Å; T183-H272 PolarHBondContact OG1-ND1 2.9Å; T183-Y341 WeakPolarHBondContact CB-OH 3.46Å; T183-Y341 HydrophobicContact CG2-CE1 4.31Å; T183-Y341 HydrophobicContact CG2-CE2 4.32Å; T183-Y341 PolarHBondContact OG1-OH 2.93Å; T183-Y341 VanDerWaalsContact OG1-OH 3.09Å
184	L	95.9	Very high	97.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-133.1	-171.1	179.2	-148.2	81.5	0	0	0	108.5	G188 M224 Y341 N461 V464 Q465 D487	L184-G188 WeakPolarHBondContact O-CA 3.43Å; L184-G188 PolarHBondContact O-N 3.3Å; L184-G188 VanDerWaalsContact O-N 3.09Å; L184-M224 HydrophobicContact CD1-CE 3.84Å; L184-Y341 HydrophobicContact CB-CD1 3.61Å; L184-Y341 HydrophobicContact CB-CE1 3.93Å; L184-Y341 HydrophobicContact CB-CG 4.44Å; L184-Y341 HydrophobicContact CD2-CD1 4.39Å; L184-N461 HydrophobicContact CD1-CB 4.09Å; L184-N461 HydrophobicContact CD2-CB 4.23Å; L184-N461 WeakPolarHBondContact CD2-OD1 3.21Å; L184-V464 HydrophobicContact CD1-CB 4.03Å; L184-V464 HydrophobicContact CD1-CG1 4.27Å; L184-V464 HydrophobicContact CD1-CG2 4.42Å; L184-V464 HydrophobicContact CG-CB 4.47Å; L184-V464 HydrophobicContact CG-CG1 4.47Å; L184-V464 HydrophobicContact CG-CG2 4.45Å; L184-Q465 HydrophobicContact CD1-CG 4.36Å; L184-D487 VanDerWaalsContact CD2-OD1 3.26Å; L184-D487 WeakPolarHBondContact CD2-OD1 3.41Å
185	G	97.8	Very high	97.5	Very high	2 Å²	2	7.6 Å²	7.6	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	65.4	-179.4	-175.7	0	0	0	0	0	113.7	G187 G188 I189 D487	G185-G187 VanDerWaalsContact C-N 3.32Å; G185-G187 PolarHBondContact O-N 2.82Å; G185-G188 PolarHBondContact O-N 3.22Å; G185-I189 WeakPolarHBondContact O-CB 3.38Å; G185-I189 VanDerWaalsContact O-CG1 3.28Å; G185-I189 WeakPolarHBondContact O-CG1 3.23Å; G185-I189 PolarHBondContact O-N 3.26Å; G185-D487 VanDerWaalsContact CA-OD1 3.24Å; G185-D487 WeakPolarHBondContact CA-OD1 3.35Å; G185-D487 PolarHBondContact N-OD1 2.83Å
186	P	98.3	Very high	97.6	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.013	3%	0.027	C	C	.	.	H	α-helix	trans	-61.8	-37.9	-177.7	-25.7	37.8	0	0	0	112.6	L176 I189 M190 T490 L502 L506	L176-P186 HydrophobicContact CD2-CG 3.64Å; P186-I189 PolarHBondContact O-N 3.47Å; P186-M190 VanDerWaalsContact O-CG 3.22Å; P186-M190 WeakPolarHBondContact O-CG 3.42Å; P186-M190 PolarHBondContact O-N 3.44Å; P186-T490 VanDerWaalsContact CD-OG1 3.27Å; P186-T490 WeakPolarHBondContact CD-OG1 3.24Å; P186-T490 HydrophobicContact CG-CG2 4.23Å; P186-L502 HydrophobicContact CB-CD2 4.23Å; P186-L502 HydrophobicContact CG-CD2 3.83Å; P186-L506 HydrophobicContact CB-CD1 3.59Å
187	G	97.8	Very high	97.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63	-45.2	173.7	0	0	0	0	0	113.1	A181 G185 I189 M190 R191	A181-G187 CarbonylContact O-C 3.57Å; G185-G187 VanDerWaalsContact C-N 3.32Å; G185-G187 PolarHBondContact O-N 2.82Å; G187-I189 VanDerWaalsContact C-N 3.35Å; G187-I189 PolarHBondContact O-N 3.37Å; G187-M190 PolarHBondContact O-N 2.89Å; G187-R191 VanDerWaalsContact O-CB 3.27Å; G187-R191 WeakPolarHBondContact O-CB 3.45Å; G187-R191 PolarHBondContact O-N 2.79Å
188	G	98	Very high	97.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.5	-40.1	174.9	0	0	0	0	0	112.7	A181 L184 G185 R191 A192	A181-G188 PolarHBondContact O-N 3.26Å; L184-G188 WeakPolarHBondContact O-CA 3.43Å; L184-G188 PolarHBondContact O-N 3.3Å; L184-G188 VanDerWaalsContact O-N 3.09Å; G185-G188 PolarHBondContact O-N 3.22Å; G188-R191 PolarHBondContact O-N 3.37Å; G188-A192 PolarHBondContact O-N 2.9Å
189	I	98.7	Very high	97.6	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-58.6	-53.1	174.5	-73.5	165.1	0	0	0	110.6	G185 P186 G187 R191 A192 L193 V464 L468 V480 A483 A484	G185-I189 WeakPolarHBondContact O-CB 3.38Å; G185-I189 VanDerWaalsContact O-CG1 3.28Å; G185-I189 WeakPolarHBondContact O-CG1 3.23Å; G185-I189 PolarHBondContact O-N 3.26Å; P186-I189 PolarHBondContact O-N 3.47Å; G187-I189 VanDerWaalsContact C-N 3.35Å; G187-I189 PolarHBondContact O-N 3.37Å; I189-R191 VanDerWaalsContact C-N 3.3Å; I189-R191 PolarHBondContact O-N 3.48Å; I189-A192 PolarHBondContact O-N 3.34Å; I189-L193 HydrophobicContact CG2-CD1 4.06Å; I189-L193 WeakPolarHBondContact O-CG 3.33Å; I189-L193 PolarHBondContact O-N 2.95Å; I189-V464 HydrophobicContact CD1-CG1 3.94Å; I189-V464 HydrophobicContact CG1-CG1 4Å; I189-L468 HydrophobicContact CB-CD2 4.34Å; I189-L468 HydrophobicContact CG1-CD2 4.32Å; I189-L468 HydrophobicContact CG2-CD1 3.85Å; I189-L468 HydrophobicContact CG2-CD2 4.35Å; I189-V480 HydrophobicContact CG2-CG1 3.82Å; I189-A483 HydrophobicContact CD1-CB 3.93Å; I189-A483 HydrophobicContact CG1-CB 4.44Å; I189-A484 HydrophobicContact CD1-CB 4.09Å
190	M	98.6	Very high	97.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-64.3	-39.3	-179.4	-63	-63.7	158.8	0	0	110.9	P186 G187 A192 L193 R194 V480 V503 L506 I507 L514	P186-M190 VanDerWaalsContact O-CG 3.22Å; P186-M190 WeakPolarHBondContact O-CG 3.42Å; P186-M190 PolarHBondContact O-N 3.44Å; G187-M190 PolarHBondContact O-N 2.89Å; M190-A192 PolarHBondContact O-N 3.47Å; M190-L193 PolarHBondContact O-N 2.85Å; M190-L193 HydrophobicContact SD-CD1 4.14Å; M190-R194 VanDerWaalsContact C-NH1 3.32Å; M190-R194 VanDerWaalsContact CB-NH1 3.3Å; M190-R194 WeakPolarHBondContact O-CG 3.42Å; M190-R194 PolarHBondContact O-N 2.73Å; M190-R194 PolarHBondContact O-NH1 2.89Å; M190-V480 HydrophobicContact CE-CG1 4.42Å; M190-V503 HydrophobicContact CE-CG1 4.17Å; M190-L506 HydrophobicContact CE-CB 3.49Å; M190-L506 VanDerWaalsContact CE-CB 3.49Å; M190-L506 HydrophobicContact CE-CD1 3.87Å; M190-L506 HydrophobicContact CE-CG 4.3Å; M190-L506 HydrophobicContact CG-CB 4.05Å; M190-L506 HydrophobicContact CG-CD1 4.05Å; M190-L506 HydrophobicContact CG-CD2 4.28Å; M190-L506 HydrophobicContact CG-CG 4.36Å; M190-L506 HydrophobicContact SD-CB 3.93Å; M190-I507 HydrophobicContact CE-CG1 4.25Å; M190-L514 HydrophobicContact SD-CD1 4.06Å; M190-L514 HydrophobicContact SD-CD2 4.45Å
191	R	98.3	Very high	97.8	Very high	14 Å²	14	11.7 Å²	11.7	5%	0.053	6%	0.058	C	C	.	.	H	α-helix	trans	-59.3	-44.7	174.7	-171.6	176.2	179.4	136.5	3.9	112.3	D182 G187 G188 I189 R194 T195 N220 Y364	D182-R191 VanDerWaalsContact CB-NH1 3.34Å; G187-R191 VanDerWaalsContact O-CB 3.27Å; G187-R191 WeakPolarHBondContact O-CB 3.45Å; G187-R191 PolarHBondContact O-N 2.79Å; G188-R191 PolarHBondContact O-N 3.37Å; I189-R191 VanDerWaalsContact C-N 3.3Å; I189-R191 PolarHBondContact O-N 3.48Å; R191-R194 PolarHBondContact O-N 2.78Å; R191-T195 WeakPolarHBondContact O-CB 3.39Å; R191-T195 PolarHBondContact O-N 2.75Å; R191-T195 PolarHBondContact O-OG1 3.23Å; R191-N220 PolarHBondContact NE-O 3.27Å; R191-Y364 PolarHBondContact NH1-OH 3.08Å
192	A	98.4	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63	-45.1	174.9	0	0	0	0	0	112	G188 I189 M190 R194 T195 I196 P221 M224 L468	G188-A192 PolarHBondContact O-N 2.9Å; I189-A192 PolarHBondContact O-N 3.34Å; M190-A192 PolarHBondContact O-N 3.47Å; A192-R194 VanDerWaalsContact C-N 3.27Å; A192-R194 PolarHBondContact O-N 2.84Å; A192-T195 PolarHBondContact O-N 2.95Å; A192-I196 HydrophobicContact CB-CD1 3.86Å; A192-I196 HydrophobicContact CB-CG1 4.48Å; A192-I196 WeakPolarHBondContact O-CB 3.21Å; A192-I196 WeakPolarHBondContact O-CG1 3.38Å; A192-I196 PolarHBondContact O-N 3.43Å; A192-P221 HydrophobicContact CB-CG 3.42Å; A192-P221 VanDerWaalsContact CB-CG 3.42Å; A192-M224 HydrophobicContact CB-CB 4.19Å; A192-M224 HydrophobicContact CB-SD 3.94Å; A192-L468 HydrophobicContact CB-CD2 3.34Å; A192-L468 HydrophobicContact CB-CG 4.45Å
193	L	98.6	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.4	-38.1	179.3	-69.7	169.4	0	0	0	112.3	I189 M190 P197 L468 I472 V480 L514 P515 W517 L518	I189-L193 HydrophobicContact CG2-CD1 4.06Å; I189-L193 WeakPolarHBondContact O-CG 3.33Å; I189-L193 PolarHBondContact O-N 2.95Å; M190-L193 PolarHBondContact O-N 2.85Å; M190-L193 HydrophobicContact SD-CD1 4.14Å; L193-P197 VanDerWaalsContact O-CD 3.28Å; L193-P197 WeakPolarHBondContact O-CD 3.31Å; L193-P197 WeakPolarHBondContact O-CG 3.46Å; L193-L468 HydrophobicContact CD1-CD1 4.28Å; L193-L468 HydrophobicContact CD2-CD1 3.72Å; L193-L468 HydrophobicContact CG-CD1 3.87Å; L193-I472 HydrophobicContact CD2-CD1 4.48Å; L193-V480 HydrophobicContact CD1-CG1 3.97Å; L193-V480 HydrophobicContact CD1-CG2 4.16Å; L193-V480 HydrophobicContact CD2-CG2 4.39Å; L193-L514 HydrophobicContact CB-CD2 3.6Å; L193-L514 HydrophobicContact CD1-CD2 4.44Å; L193-P515 VanDerWaalsContact O-CD 3.29Å; L193-P515 WeakPolarHBondContact O-CD 3.48Å; L193-P515 WeakPolarHBondContact O-CG 3.23Å; L193-W517 HydrophobicContact CD2-CH2 3.92Å; L193-W517 HydrophobicContact CD2-CZ2 3.89Å; L193-L518 HydrophobicContact CB-CD1 4.34Å; L193-L518 HydrophobicContact CD1-CD1 3.99Å; L193-L518 HydrophobicContact CD1-CD2 4.33Å; L193-L518 HydrophobicContact CD2-CD1 4.29Å; L193-L518 HydrophobicContact CG-CD1 4.43Å
194	R	98.2	Very high	98.2	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-69.8	-35.7	172.8	-64.1	-172.7	-58.5	-91.6	3.5	112.4	I157 C163 D167 M190 R191 A192 H198 H510 W513 L514	I157-R194 HydrophobicContact CB-CB 4.16Å; I157-R194 HydrophobicContact CG2-CB 3.96Å; C163-R194 VanDerWaalsContact SG-CD 3.59Å; D167-R194 IonicContact OD1-CZ 3.77Å; D167-R194 IonicContact OD1-NH1 3.47Å; D167-R194 PolarHBondContact OD1-NH1 3.46Å; D167-R194 IonicContact OD1-NH2 3.87Å; D167-R194 IonicContact OD2-CZ 3.13Å; D167-R194 IonicContact OD2-NH1 2.72Å; D167-R194 PolarHBondContact OD2-NH1 3.4Å; D167-R194 IonicContact OD2-NH2 3.96Å; D167-R194 PolarHBondContact OD2-NH2 3.13Å; M190-R194 VanDerWaalsContact C-NH1 3.32Å; M190-R194 VanDerWaalsContact CB-NH1 3.3Å; M190-R194 WeakPolarHBondContact O-CG 3.42Å; M190-R194 PolarHBondContact O-N 2.73Å; M190-R194 PolarHBondContact O-NH1 2.89Å; R191-R194 PolarHBondContact O-N 2.78Å; A192-R194 VanDerWaalsContact C-N 3.27Å; A192-R194 PolarHBondContact O-N 2.84Å; R194-H198 PolarHBondContact O-CD2 2.95Å; R194-H198 VanDerWaalsContact O-CD2 3.26Å; R194-H510 PolarHBondContact NH1-CE1 3.4Å; R194-H510 PolarHBondContact NH1-NE2 3.21Å; R194-H510 VanDerWaalsContact NH1-NE2 3.13Å; R194-W513 HydrophobicContact CG-CB 4.37Å; R194-W513 WeakPolarHBondContact CG-O 3.34Å; R194-L514 HydrophobicContact CG-CD2 3.63Å; R194-L514 HydrophobicContact CG-CG 4.4Å
195	T	98.1	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-90.6	-46.3	-165.2	-61	0	0	0	0	114.1	F155 R191 A192 P197 H198 L199 V219	F155-T195 HydrophobicContact CE2-CG2 4.08Å; R191-T195 WeakPolarHBondContact O-CB 3.39Å; R191-T195 PolarHBondContact O-N 2.75Å; R191-T195 PolarHBondContact O-OG1 3.23Å; A192-T195 PolarHBondContact O-N 2.95Å; T195-P197 VanDerWaalsContact C-N 3.34Å; T195-H198 PolarHBondContact O-N 3.11Å; T195-L199 HydrophobicContact CG2-CD1 3.83Å; T195-L199 HydrophobicContact CG2-CG 4.17Å; T195-L199 PolarHBondContact O-N 3.21Å; T195-L199 VanDerWaalsContact O-N 3.15Å; T195-V219 HydrophobicContact CG2-CG1 3.43Å; T195-V219 VanDerWaalsContact CG2-CG1 3.43Å
196	I	98.4	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54.7	-41.2	-173.8	-69.9	165.6	0	0	0	113	A192 H198 L199 W200 N225 A228 I472	A192-I196 HydrophobicContact CB-CD1 3.86Å; A192-I196 HydrophobicContact CB-CG1 4.48Å; A192-I196 WeakPolarHBondContact O-CB 3.21Å; A192-I196 WeakPolarHBondContact O-CG1 3.38Å; A192-I196 PolarHBondContact O-N 3.43Å; I196-H198 VanDerWaalsContact C-N 3.25Å; I196-H198 PolarHBondContact O-N 3.48Å; I196-L199 PolarHBondContact O-N 3.42Å; I196-W200 HydrophobicContact CG2-CD2 3.88Å; I196-W200 HydrophobicContact CG2-CE3 4.37Å; I196-W200 HydrophobicContact CG2-CG 4.36Å; I196-W200 HydrophobicContact CG2-CH2 4.33Å; I196-W200 HydrophobicContact CG2-CZ2 3.82Å; I196-W200 PolarHBondContact O-N 2.98Å; I196-N225 WeakPolarHBondContact CG1-OD1 3.34Å; I196-A228 HydrophobicContact CD1-CB 3.81Å; I196-A228 HydrophobicContact CG1-CB 4.05Å; I196-A228 HydrophobicContact CG2-CB 3.65Å; I196-I472 HydrophobicContact CB-CD1 3.51Å; I196-I472 HydrophobicContact CD1-CD1 4.07Å; I196-I472 HydrophobicContact CD1-CG2 4.3Å; I196-I472 HydrophobicContact CG1-CD1 4.38Å; I196-I472 HydrophobicContact CG2-CD1 3.48Å; I196-I472 VanDerWaalsContact CG2-CD1 3.48Å; I196-I472 HydrophobicContact CG2-CG1 4.15Å; I196-I472 HydrophobicContact CG2-CG2 4.27Å
197	P	97.9	Very high	98.4	Very high	32 Å²	32	19 Å²	19	21%	0.208	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-35	177.6	-23.4	33.8	0	0	0	113.5	L193 T195 Q201 I472 P515	L193-P197 VanDerWaalsContact O-CD 3.28Å; L193-P197 WeakPolarHBondContact O-CD 3.31Å; L193-P197 WeakPolarHBondContact O-CG 3.46Å; T195-P197 VanDerWaalsContact C-N 3.34Å; P197-Q201 WeakPolarHBondContact O-CG 3.49Å; P197-Q201 PolarHBondContact O-N 2.89Å; P197-Q201 VanDerWaalsContact O-N 3.13Å; P197-I472 HydrophobicContact CG-CD1 4.25Å; P197-P515 HydrophobicContact CG-CG 3.79Å
198	H	97.7	Very high	98.4	Very high	69 Å²	69	25.2 Å²	25.2	32%	0.319	12%	0.124	S	C	.	.	H	α-helix	trans	-75.6	-38.3	177.2	-67.9	-81.6	0	0	0	111.9	F155 I157 R194 T195 I196 W200 Q201 I202	F155-H198 HydrophobicContact CE2-CB 4.41Å; I157-H198 HydrophobicContact CD1-CB 4.13Å; I157-H198 HydrophobicContact CG1-CB 4.48Å; R194-H198 PolarHBondContact O-CD2 2.95Å; R194-H198 VanDerWaalsContact O-CD2 3.26Å; T195-H198 PolarHBondContact O-N 3.11Å; I196-H198 VanDerWaalsContact C-N 3.25Å; I196-H198 PolarHBondContact O-N 3.48Å; H198-W200 VanDerWaalsContact C-N 3.26Å; H198-W200 PolarHBondContact O-N 3.32Å; H198-Q201 WeakPolarHBondContact O-CB 3.28Å; H198-Q201 PolarHBondContact O-N 2.97Å; H198-I202 WeakPolarHBondContact O-CG1 3.5Å; H198-I202 PolarHBondContact O-N 3.49Å
199	L	98.6	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-39.8	171.4	-73	170.6	0	0	0	111.3	V153 F155 T195 I196 I202 C203 N225 M229	V153-L199 HydrophobicContact CG2-CD2 4.08Å; F155-L199 HydrophobicContact CE1-CD2 4.18Å; F155-L199 HydrophobicContact CZ-CD2 3.67Å; F155-L199 HydrophobicContact CZ-CG 4.01Å; T195-L199 HydrophobicContact CG2-CD1 3.83Å; T195-L199 HydrophobicContact CG2-CG 4.17Å; T195-L199 PolarHBondContact O-N 3.21Å; T195-L199 VanDerWaalsContact O-N 3.15Å; I196-L199 PolarHBondContact O-N 3.42Å; L199-I202 HydrophobicContact CD2-CD1 4.49Å; L199-I202 WeakPolarHBondContact O-CB 3.37Å; L199-I202 PolarHBondContact O-N 2.92Å; L199-C203 PolarHBondContact O-N 3.08Å; L199-C203 PolarHBondContact O-SG 2.86Å; L199-N225 HydrophobicContact CD1-CB 3.53Å; L199-M229 HydrophobicContact CB-CG 4.04Å; L199-M229 HydrophobicContact CB-SD 3.84Å; L199-M229 HydrophobicContact CD1-CE 4.13Å; L199-M229 HydrophobicContact CD1-SD 4.27Å; L199-M229 HydrophobicContact CD2-CE 4.35Å; L199-M229 HydrophobicContact CD2-SD 4.05Å; L199-M229 HydrophobicContact CG-SD 4.28Å
200	W	98.6	Very high	98.5	Very high	16 Å²	16	26.8 Å²	26.8	6%	0.061	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-39.5	173.6	-72.1	-12.2	0	0	0	113.2	I196 H198 I202 C203 E204 A228 R232 Y233 I472 L473	I196-W200 HydrophobicContact CG2-CD2 3.88Å; I196-W200 HydrophobicContact CG2-CE3 4.37Å; I196-W200 HydrophobicContact CG2-CG 4.36Å; I196-W200 HydrophobicContact CG2-CH2 4.33Å; I196-W200 HydrophobicContact CG2-CZ2 3.82Å; I196-W200 PolarHBondContact O-N 2.98Å; H198-W200 VanDerWaalsContact C-N 3.26Å; H198-W200 PolarHBondContact O-N 3.32Å; W200-I202 VanDerWaalsContact C-N 3.29Å; W200-I202 PolarHBondContact O-N 2.95Å; W200-C203 WeakPolarHBondContact O-CB 3.25Å; W200-C203 PolarHBondContact O-N 3.21Å; W200-E204 WeakPolarHBondContact O-CG 3.47Å; W200-E204 PolarHBondContact O-N 3.37Å; W200-A228 HydrophobicContact CZ2-CB 4.33Å; W200-A228 PolarHBondContact NE1-O 3.3Å; W200-R232 VanDerWaalsContact CD2-CD 3.48Å; W200-R232 VanDerWaalsContact CE2-CD 3.46Å; W200-R232 HydrophobicContact CZ2-CB 4.19Å; W200-Y233 HydrophobicContact CB-CE2 3.79Å; W200-Y233 AromaticContact CD1-CD2 3.95Å; W200-Y233 AromaticContact CD1-CE2 3.59Å; W200-Y233 HydrophobicContact CG-CD2 4.5Å; W200-Y233 AromaticContact CG-CE2 3.71Å; W200-Y233 HydrophobicContact CG-CE2 3.71Å; W200-I472 HydrophobicContact CH2-CB 4.43Å; W200-I472 HydrophobicContact CH2-CG1 3.85Å; W200-I472 HydrophobicContact CH2-CG2 4.06Å; W200-I472 HydrophobicContact CZ2-CG2 4.21Å; W200-I472 HydrophobicContact CZ3-CG1 4.07Å; W200-L473 HydrophobicContact CH2-CD2 3.95Å; W200-L473 HydrophobicContact CZ2-CD2 3.67Å; W200-L473 HydrophobicContact CZ2-CG 4.42Å
201	Q	98.4	Very high	98.4	Very high	90 Å²	90	29.8 Å²	29.8	42%	0.421	15%	0.153	S	C	.	.	H	α-helix	trans	-60.8	-39	173	-70.6	168.8	22.8	0	0	111.7	Q141 P197 H198 E204 D205	Q141-Q201 PolarHBondContact NE2-O 2.66Å; P197-Q201 WeakPolarHBondContact O-CG 3.49Å; P197-Q201 PolarHBondContact O-N 2.89Å; P197-Q201 VanDerWaalsContact O-N 3.13Å; H198-Q201 WeakPolarHBondContact O-CB 3.28Å; H198-Q201 PolarHBondContact O-N 2.97Å; Q201-E204 PolarHBondContact O-N 3.46Å; Q201-D205 PolarHBondContact O-N 3.39Å
202	I	98.7	Very high	98.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-44.4	174.2	-62.7	164.7	0	0	0	110.4	I79 Q141 L145 V153 F155 H198 L199 W200 E204 D205 M206 M215	I79-I202 HydrophobicContact CG2-CD1 3.91Å; Q141-I202 VanDerWaalsContact CD-CG1 3.43Å; Q141-I202 HydrophobicContact CG-CG1 4.4Å; L145-I202 HydrophobicContact CD1-CG2 4.37Å; V153-I202 HydrophobicContact CG1-CD1 3.9Å; V153-I202 HydrophobicContact CG1-CG2 4.31Å; F155-I202 HydrophobicContact CE1-CD1 3.51Å; F155-I202 HydrophobicContact CZ-CD1 3.88Å; H198-I202 WeakPolarHBondContact O-CG1 3.5Å; H198-I202 PolarHBondContact O-N 3.49Å; L199-I202 HydrophobicContact CD2-CD1 4.49Å; L199-I202 WeakPolarHBondContact O-CB 3.37Å; L199-I202 PolarHBondContact O-N 2.92Å; W200-I202 VanDerWaalsContact C-N 3.29Å; W200-I202 PolarHBondContact O-N 2.95Å; I202-E204 VanDerWaalsContact C-N 3.3Å; I202-E204 PolarHBondContact O-N 2.87Å; I202-D205 PolarHBondContact O-N 3.35Å; I202-M206 HydrophobicContact CG2-CG 4.17Å; I202-M206 HydrophobicContact CG2-SD 3.93Å; I202-M206 WeakPolarHBondContact O-CB 3.3Å; I202-M206 VanDerWaalsContact O-CG 3.28Å; I202-M206 WeakPolarHBondContact O-CG 3.23Å; I202-M206 PolarHBondContact O-N 2.98Å; I202-M215 HydrophobicContact CB-CE 4.32Å; I202-M215 HydrophobicContact CG2-CE 3.57Å
203	C	98.8	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-38.6	175.9	-65.5	0	0	0	0	112.4	L199 W200 T207 Y233 I236	L199-C203 PolarHBondContact O-N 3.08Å; L199-C203 PolarHBondContact O-SG 2.86Å; W200-C203 WeakPolarHBondContact O-CB 3.25Å; W200-C203 PolarHBondContact O-N 3.21Å; C203-T207 WeakPolarHBondContact O-CB 3.44Å; C203-T207 PolarHBondContact O-N 3.35Å; C203-T207 PolarHBondContact O-OG1 3.09Å; C203-Y233 HydrophobicContact CB-CD1 3.86Å; C203-Y233 HydrophobicContact CB-CD2 3.45Å; C203-Y233 VanDerWaalsContact CB-CD2 3.45Å; C203-Y233 HydrophobicContact CB-CE1 4.24Å; C203-Y233 HydrophobicContact CB-CE2 3.87Å; C203-Y233 HydrophobicContact CB-CG 3.48Å; C203-Y233 VanDerWaalsContact CB-CG 3.48Å; C203-I236 HydrophobicContact CB-CG1 4.16Å
204	E	98.6	Very high	98.4	Very high	86 Å²	86	35.6 Å²	35.6	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-51.4	175.4	-73.2	172.4	-178.8	0	0	111.1	W200 Q201 I202 M206 T207 E208 R232 Y233	W200-E204 WeakPolarHBondContact O-CG 3.47Å; W200-E204 PolarHBondContact O-N 3.37Å; Q201-E204 PolarHBondContact O-N 3.46Å; I202-E204 VanDerWaalsContact C-N 3.3Å; I202-E204 PolarHBondContact O-N 2.87Å; E204-M206 PolarHBondContact O-N 3.49Å; E204-T207 WeakPolarHBondContact O-CB 3.35Å; E204-T207 PolarHBondContact O-N 3.18Å; E204-E208 PolarHBondContact O-N 2.72Å; E204-R232 IonicContact OE1-NH2 3.33Å; E204-R232 PolarHBondContact OE1-NH2 2.9Å; E204-R232 VanDerWaalsContact OE1-NH2 3.16Å; E204-Y233 VanDerWaalsContact CD-OH 3.31Å; E204-Y233 HydrophobicContact CG-CE1 3.62Å; E204-Y233 WeakPolarHBondContact CG-OH 3.34Å; E204-Y233 PolarHBondContact OE1-OH 3.12Å
205	D	98.7	Very high	98.4	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-45.5	177.8	-76.3	-21.8	0	0	0	111.5	Q141 K142 L145 Q201 I202 T207 E208 V209	Q141-D205 PolarHBondContact NE2-OD2 3.05Å; K142-D205 HydrophobicContact CB-CB 4.49Å; K142-D205 HydrophobicContact CG-CB 4.41Å; L145-D205 HydrophobicContact CD1-CB 3.53Å; Q201-D205 PolarHBondContact O-N 3.39Å; I202-D205 PolarHBondContact O-N 3.35Å; D205-T207 VanDerWaalsContact C-N 3.29Å; D205-T207 PolarHBondContact O-N 2.81Å; D205-E208 PolarHBondContact O-N 3.41Å; D205-V209 WeakPolarHBondContact O-CG2 3.32Å; D205-V209 PolarHBondContact O-N 3.19Å
206	M	98.8	Very high	98.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-41.3	177.2	-75.6	-178.7	69	0	0	112.1	L145 V151 I202 E204 E208 C210 P211 A213 M215 I236	L145-M206 HydrophobicContact CD1-CG 4.22Å; L145-M206 HydrophobicContact CD2-CG 4.1Å; V151-M206 HydrophobicContact CB-CE 4.15Å; V151-M206 HydrophobicContact CB-SD 4.13Å; V151-M206 HydrophobicContact CG1-SD 4.18Å; V151-M206 HydrophobicContact CG2-CE 3.83Å; V151-M206 HydrophobicContact CG2-CG 4.36Å; V151-M206 HydrophobicContact CG2-SD 4.04Å; I202-M206 HydrophobicContact CG2-CG 4.17Å; I202-M206 HydrophobicContact CG2-SD 3.93Å; I202-M206 WeakPolarHBondContact O-CB 3.3Å; I202-M206 VanDerWaalsContact O-CG 3.28Å; I202-M206 WeakPolarHBondContact O-CG 3.23Å; I202-M206 PolarHBondContact O-N 2.98Å; E204-M206 PolarHBondContact O-N 3.49Å; M206-E208 PolarHBondContact O-N 3.49Å; M206-C210 CarbonylContact O-C 3.59Å; M206-C210 WeakPolarHBondContact O-CA 3.35Å; M206-C210 PolarHBondContact O-N 2.96Å; M206-P211 VanDerWaalsContact O-CA 3.31Å; M206-P211 WeakPolarHBondContact O-CA 3.39Å; M206-A213 HydrophobicContact CE-CB 3.85Å; M206-M215 HydrophobicContact CE-CB 4.04Å; M206-M215 HydrophobicContact CE-CE 4.45Å; M206-M215 HydrophobicContact SD-CB 4.22Å; M206-M215 HydrophobicContact SD-CE 3.25Å; M206-M215 WeakPolarHBondContact SD-CE 3.37Å; M206-M215 HydrophobicContact SD-CG 4.5Å; M206-I236 HydrophobicContact CB-CD1 3.87Å; M206-I236 HydrophobicContact CE-CG2 4.33Å
207	T	98.6	Very high	98.5	Very high	53 Å²	53	35.5 Å²	35.5	33%	0.325	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-34.3	176.7	-59	0	0	0	0	111.7	C203 E204 D205 H235	C203-T207 WeakPolarHBondContact O-CB 3.44Å; C203-T207 PolarHBondContact O-N 3.35Å; C203-T207 PolarHBondContact O-OG1 3.09Å; E204-T207 WeakPolarHBondContact O-CB 3.35Å; E204-T207 PolarHBondContact O-N 3.18Å; D205-T207 VanDerWaalsContact C-N 3.29Å; D205-T207 PolarHBondContact O-N 2.81Å; T207-H235 VanDerWaalsContact CG2-NE2 3.35Å; T207-H235 WeakPolarHBondContact CG2-NE2 2.93Å; T207-H235 PolarHBondContact OG1-NE2 3.33Å
208	E	98.5	Very high	98.4	Very high	132 Å²	132	35.1 Å²	35.1	62%	0.617	18%	0.18	S	C	*	.	H	α-helix	trans	-86.4	-45.2	-177.1	-168.5	-178.8	152.5	0	0	113	K142 E204 D205 M206	K142-E208 WeakPolarHBondContact CE-OE1 3.49Å; K142-E208 WeakPolarHBondContact CE-OE2 3.18Å; K142-E208 IonicContact NZ-OE1 3.6Å; K142-E208 PolarHBondContact NZ-OE1 2.78Å; K142-E208 IonicContact NZ-OE2 3.98Å; K142-E208 PolarHBondContact NZ-OE2 3.26Å; E204-E208 PolarHBondContact O-N 2.72Å; D205-E208 PolarHBondContact O-N 3.41Å; M206-E208 PolarHBondContact O-N 3.49Å
209	V	98.7	Very high	98.4	Very high	29 Å²	29	31.9 Å²	31.9	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-111.7	-13.7	-166	-49.6	0	0	0	0	114.9	K142 L145 D147 D205	K142-V209 HydrophobicContact CD-CG1 4.3Å; K142-V209 VanDerWaalsContact CE-CG1 3.48Å; K142-V209 HydrophobicContact CG-CG1 3.82Å; K142-V209 HydrophobicContact CG-CG2 4.47Å; L145-V209 HydrophobicContact CB-CG2 3.69Å; D147-V209 PolarHBondContact N-O 3.11Å; D147-V209 VanDerWaalsContact N-O 3.09Å; D205-V209 WeakPolarHBondContact O-CG2 3.32Å; D205-V209 PolarHBondContact O-N 3.19Å
210	C	98.6	Very high	98.3	Very high	6 Å²	6	33 Å²	33	4%	0.041	17%	0.171	C	C	.	.			trans	-155.1	58.1	176.2	57.6	0	0	0	0	112.1	L145 A148 M206 D212 A213	L145-C210 WeakPolarHBondContact O-CB 3.3Å; L145-C210 PolarHBondContact O-SG 3.1Å; A148-C210 HydrophobicContact CB-CB 4.17Å; A148-C210 WeakPolarHBondContact O-CB 3.44Å; M206-C210 CarbonylContact O-C 3.59Å; M206-C210 WeakPolarHBondContact O-CA 3.35Å; M206-C210 PolarHBondContact O-N 2.96Å; C210-D212 PolarHBondContact O-N 3.24Å; C210-A213 HydrophobicContact CB-CB 4.04Å; C210-A213 VanDerWaalsContact O-CB 3.23Å; C210-A213 WeakPolarHBondContact O-CB 3.41Å; C210-A213 PolarHBondContact O-N 3.43Å
211	P	98.2	Very high	98.2	Very high	63 Å²	63	32.3 Å²	32.3	41%	0.409	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.2	-170.6	25	-35.7	0	0	0	114	M206	M206-P211 VanDerWaalsContact O-CA 3.31Å; M206-P211 WeakPolarHBondContact O-CA 3.39Å
212	D	97.5	Very high	98.2	Very high	122 Å²	122	28 Å²	28	65%	0.652	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-10.1	179.1	-79.6	-54.2	0	0	0	114.6	C210 K237	C210-D212 PolarHBondContact O-N 3.24Å; D212-K237 PolarHBondContact O-NZ 3.3Å; D212-K237 IonicContact OD1-NZ 3.55Å; D212-K237 PolarHBondContact OD1-NZ 3.39Å; D212-K237 VanDerWaalsContact OD1-NZ 3.1Å
213	A	98.6	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-64.6	149	-177.2	0	0	0	0	0	112.3	A148 D149 V151 M206 C210	A148-A213 VanDerWaalsContact O-CB 3.23Å; A148-A213 WeakPolarHBondContact O-CB 3.32Å; D149-A213 VanDerWaalsContact O-CA 3.24Å; D149-A213 WeakPolarHBondContact O-CA 3.12Å; V151-A213 HydrophobicContact CG2-CB 4.14Å; M206-A213 HydrophobicContact CE-CB 3.85Å; C210-A213 HydrophobicContact CB-CB 4.04Å; C210-A213 VanDerWaalsContact O-CB 3.23Å; C210-A213 WeakPolarHBondContact O-CB 3.41Å; C210-A213 PolarHBondContact O-N 3.43Å
214	T	98.7	Very high	98.1	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.7	171.9	-57.9	0	0	0	0	110.8	D149 V151 L216 K237 I404 I442	D149-T214 PolarHBondContact O-N 2.95Å; V151-T214 PolarHBondContact N-O 3.33Å; T214-L216 HydrophobicContact CG2-CD2 3.94Å; T214-K237 WeakPolarHBondContact CA-O 3.37Å; T214-I404 HydrophobicContact CG2-CD1 4.32Å; T214-I442 HydrophobicContact CG2-CD1 3.94Å
215	M	98.8	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.7	172.6	-171.3	-172.5	-70.8	0	0	111.4	V151 V153 I202 M206 M229 I236 K237 Q238 V239	V151-M215 CarbonylContact O-C 3.55Å; V151-M215 VanDerWaalsContact O-CA 3.3Å; V151-M215 WeakPolarHBondContact O-CA 3.32Å; V153-M215 HydrophobicContact CG1-CG 4.31Å; V153-M215 HydrophobicContact CG1-SD 4.36Å; V153-M215 HydrophobicContact CG2-CG 4.2Å; V153-M215 HydrophobicContact CG2-SD 4.09Å; I202-M215 HydrophobicContact CB-CE 4.32Å; I202-M215 HydrophobicContact CG2-CE 3.57Å; M206-M215 HydrophobicContact CE-CB 4.04Å; M206-M215 HydrophobicContact CE-CE 4.45Å; M206-M215 HydrophobicContact SD-CB 4.22Å; M206-M215 HydrophobicContact SD-CE 3.25Å; M206-M215 WeakPolarHBondContact SD-CE 3.37Å; M206-M215 HydrophobicContact SD-CG 4.5Å; M215-M229 HydrophobicContact CE-SD 4.3Å; M215-M229 HydrophobicContact SD-CE 4.21Å; M215-M229 HydrophobicContact SD-SD 3.66Å; M215-M229 VanDerWaalsContact SD-SD 3.66Å; M215-I236 HydrophobicContact CB-CG2 4.45Å; M215-I236 HydrophobicContact CE-CG2 4.48Å; M215-K237 PolarHBondContact N-O 2.69Å; M215-Q238 HydrophobicContact CB-CB 4Å; M215-Q238 VanDerWaalsContact O-CA 3.28Å; M215-Q238 WeakPolarHBondContact O-CA 3.44Å; M215-V239 PolarHBondContact O-N 3.26Å
216	L	98.7	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	97.6	176.6	-52	-179.3	0	0	0	108.2	V151 V152 V153 T214 V239 L241 A397 I400 M401	V151-L216 PolarHBondContact O-N 2.76Å; V152-L216 HydrophobicContact CG2-CB 4.36Å; V152-L216 HydrophobicContact CG2-CD1 4.22Å; V153-L216 PolarHBondContact N-O 2.95Å; V153-L216 VanDerWaalsContact N-O 3.07Å; T214-L216 HydrophobicContact CG2-CD2 3.94Å; L216-V239 HydrophobicContact CD2-CG1 3.8Å; L216-L241 HydrophobicContact CB-CD1 3.99Å; L216-L241 HydrophobicContact CD2-CD1 4.45Å; L216-A397 HydrophobicContact CD1-CB 4Å; L216-I400 HydrophobicContact CD2-CB 4.37Å; L216-I400 HydrophobicContact CD2-CD1 4.2Å; L216-I400 HydrophobicContact CD2-CG2 3.74Å; L216-M401 HydrophobicContact CD1-CE 4.07Å; L216-M401 HydrophobicContact CD1-CG 3.85Å; L216-M401 HydrophobicContact CD1-SD 4.29Å
217	N	98.2	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119	-170.7	176.8	28.3	0	0	0	112.1	V153 V219 M222 M229 V239 G240 L241	V153-N217 HydrophobicContact CG2-CB 3.85Å; V153-N217 WeakPolarHBondContact CG2-OD1 3.38Å; N217-V219 VanDerWaalsContact OD1-CB 3.31Å; N217-V219 WeakPolarHBondContact OD1-CB 3.48Å; N217-V219 PolarHBondContact OD1-N 2.95Å; N217-M222 HydrophobicContact CB-SD 4.39Å; N217-M222 PolarHBondContact ND2-SD 3.32Å; N217-M222 VanDerWaalsContact ND2-SD 3.35Å; N217-M222 VanDerWaalsContact O-CE 3.22Å; N217-M222 WeakPolarHBondContact O-CE 3.02Å; N217-M229 HydrophobicContact CB-CE 4.27Å; N217-M229 WeakPolarHBondContact ND2-CE 3.39Å; N217-V239 PolarHBondContact N-O 3.22Å; N217-G240 CarbonylContact O-C 3.51Å; N217-G240 WeakPolarHBondContact O-CA 3.4Å; N217-L241 PolarHBondContact O-N 3.17Å
218	Y	97	Very high	97.9	Very high	24 Å²	24	21.6 Å²	21.6	9%	0.094	11%	0.113	C	C	.	.			trans	-110.2	10.6	173.2	-78.6	-94.3	0	0	0	112.8	F86 I90 V152 V153 L241 E395 A397	F86-Y218 HydrophobicContact CD1-CD1 4.37Å; F86-Y218 HydrophobicContact CE1-CD1 4Å; I90-Y218 HydrophobicContact CD1-CD2 4.09Å; I90-Y218 HydrophobicContact CD1-CE1 4.47Å; I90-Y218 HydrophobicContact CD1-CE2 3.75Å; V152-Y218 HydrophobicContact CG1-CD2 4.14Å; V152-Y218 HydrophobicContact CG1-CE2 4.43Å; V153-Y218 PolarHBondContact O-N 3.22Å; Y218-L241 HydrophobicContact CD1-CB 4.23Å; Y218-L241 HydrophobicContact CD2-CB 4.29Å; Y218-L241 HydrophobicContact CD2-CD1 4.27Å; Y218-L241 HydrophobicContact CE1-CB 3.9Å; Y218-L241 HydrophobicContact CE2-CB 3.93Å; Y218-L241 HydrophobicContact CE2-CD1 3.46Å; Y218-L241 VanDerWaalsContact CE2-CD1 3.46Å; Y218-L241 HydrophobicContact CE2-CG 4.3Å; Y218-L241 HydrophobicContact CG-CB 4.44Å; Y218-E395 VanDerWaalsContact CE1-OE2 3.28Å; Y218-E395 WeakPolarHBondContact CE1-OE2 3.4Å; Y218-E395 PolarHBondContact OH-OE2 2.68Å; Y218-A397 HydrophobicContact CE2-CB 3.88Å; Y218-A397 WeakPolarHBondContact OH-CB 3.4Å; Y218-A397 PolarHBondContact OH-N 3.21Å
219	V	96.8	Very high	97.9	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	8%	0.084	C	C	.	.			trans	-90.8	121.6	-174.1	-171.5	0	0	0	0	111.1	V153 F155 T195 N217 N225	V153-V219 HydrophobicContact CB-CG2 4.31Å; V153-V219 HydrophobicContact CG2-CG2 4.13Å; F155-V219 HydrophobicContact CD1-CG2 4.11Å; F155-V219 HydrophobicContact CD2-CG1 4.42Å; F155-V219 HydrophobicContact CD2-CG2 4.39Å; F155-V219 HydrophobicContact CE1-CG2 4.05Å; F155-V219 HydrophobicContact CE2-CG1 4.26Å; F155-V219 HydrophobicContact CE2-CG2 4.34Å; F155-V219 HydrophobicContact CG-CG2 4.28Å; F155-V219 HydrophobicContact CZ-CG2 4.18Å; F155-V219 WeakPolarHBondContact O-CG1 3.28Å; T195-V219 HydrophobicContact CG2-CG1 3.43Å; T195-V219 VanDerWaalsContact CG2-CG1 3.43Å; N217-V219 VanDerWaalsContact OD1-CB 3.31Å; N217-V219 WeakPolarHBondContact OD1-CB 3.48Å; N217-V219 PolarHBondContact OD1-N 2.95Å; V219-N225 PolarHBondContact O-ND2 3.14Å
220	N	96.6	Very high	97.8	Very high	23 Å²	23	15.4 Å²	15.4	12%	0.123	8%	0.081	C	C	.	.	S	Bend	trans	-83.5	148.5	171.9	-79.7	-16.7	0	0	0	113	D182 R191 M222 N225	D182-N220 PolarHBondContact OD2-ND2 3Å; R191-N220 PolarHBondContact NE-O 3.27Å; N220-M222 PolarHBondContact OD1-N 3.28Å; N220-N225 PolarHBondContact O-ND2 3.49Å
221	P	97.9	Very high	97.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.099	C	C	.	.	S	Bend	cis	-77.5	115.9	3.1	29.9	-36.6	0	0	0	113.2	D182 T183 A192 A223 M224 N225	D182-P221 WeakPolarHBondContact O-CA 3.27Å; D182-P221 WeakPolarHBondContact O-CB 3.34Å; T183-P221 VanDerWaalsContact O-CB 3.3Å; T183-P221 WeakPolarHBondContact O-CB 3.35Å; A192-P221 HydrophobicContact CB-CG 3.42Å; A192-P221 VanDerWaalsContact CB-CG 3.42Å; P221-A223 PolarHBondContact O-N 2.89Å; P221-M224 HydrophobicContact CB-CB 4.49Å; P221-M224 HydrophobicContact CB-CG 4.46Å; P221-M224 HydrophobicContact CB-SD 4.12Å; P221-M224 HydrophobicContact CG-CB 4.1Å; P221-M224 HydrophobicContact CG-CG 4.39Å; P221-M224 HydrophobicContact CG-SD 3.88Å; P221-M224 PolarHBondContact O-N 2.99Å; P221-N225 VanDerWaalsContact O-CB 3.3Å; P221-N225 WeakPolarHBondContact O-CB 3.4Å; P221-N225 PolarHBondContact O-N 2.79Å; P221-N225 PolarHBondContact O-ND2 3.26Å
222	M	97.7	Very high	97.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-46.2	-165.4	-170.7	56.7	60.8	0	0	113.5	N217 N220 T226 G240 L241 N271 N415	N217-M222 HydrophobicContact CB-SD 4.39Å; N217-M222 PolarHBondContact ND2-SD 3.32Å; N217-M222 VanDerWaalsContact ND2-SD 3.35Å; N217-M222 VanDerWaalsContact O-CE 3.22Å; N217-M222 WeakPolarHBondContact O-CE 3.02Å; N220-M222 PolarHBondContact OD1-N 3.28Å; M222-T226 WeakPolarHBondContact O-CB 3.48Å; M222-T226 PolarHBondContact O-N 2.67Å; M222-T226 PolarHBondContact O-OG1 3.44Å; M222-G240 WeakPolarHBondContact SD-CA 3.5Å; M222-L241 WeakPolarHBondContact CE-O 3.19Å; M222-N271 HydrophobicContact CB-CB 4.01Å; M222-N271 VanDerWaalsContact CB-CG 3.46Å; M222-N271 WeakPolarHBondContact CB-OD1 3.42Å; M222-N271 HydrophobicContact CG-CB 4.34Å; M222-N415 HydrophobicContact CG-CB 4Å
223	A	97.5	Very high	97.7	Very high	3 Å²	3	15.2 Å²	15.2	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-44.6	-175.3	0	0	0	0	0	111.9	P221 W227 N271 C430 Q465	P221-A223 PolarHBondContact O-N 2.89Å; A223-W227 WeakPolarHBondContact O-CB 3.47Å; A223-W227 PolarHBondContact O-N 3.25Å; A223-N271 HydrophobicContact CB-CB 4.32Å; A223-C430 HydrophobicContact CB-CB 4.07Å; A223-C430 WeakPolarHBondContact O-CB 3.48Å; A223-Q465 HydrophobicContact CB-CG 4.39Å
224	M	97.7	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.2	-42.9	179.9	-57.7	172.1	-169.3	0	0	111.1	T183 L184 A192 P221 W227 A228 V464 Q465 L468	T183-M224 VanDerWaalsContact O-CE 3.3Å; T183-M224 WeakPolarHBondContact O-CE 3.34Å; L184-M224 HydrophobicContact CD1-CE 3.84Å; A192-M224 HydrophobicContact CB-CB 4.19Å; A192-M224 HydrophobicContact CB-SD 3.94Å; P221-M224 HydrophobicContact CB-CB 4.49Å; P221-M224 HydrophobicContact CB-CG 4.46Å; P221-M224 HydrophobicContact CB-SD 4.12Å; P221-M224 HydrophobicContact CG-CB 4.1Å; P221-M224 HydrophobicContact CG-CG 4.39Å; P221-M224 HydrophobicContact CG-SD 3.88Å; P221-M224 PolarHBondContact O-N 2.99Å; M224-W227 PolarHBondContact O-N 3.01Å; M224-A228 VanDerWaalsContact O-CB 3.27Å; M224-A228 WeakPolarHBondContact O-CB 3.42Å; M224-A228 PolarHBondContact O-N 3.39Å; M224-V464 HydrophobicContact CE-CG1 4.1Å; M224-Q465 HydrophobicContact CE-CB 4.49Å; M224-Q465 HydrophobicContact CE-CG 3.75Å; M224-Q465 HydrophobicContact CG-CB 4Å; M224-Q465 HydrophobicContact CG-CG 3.77Å; M224-L468 HydrophobicContact CE-CD2 4.48Å; M224-L468 HydrophobicContact CG-CD2 4.43Å; M224-L468 HydrophobicContact SD-CB 4.48Å; M224-L468 HydrophobicContact SD-CD2 3.32Å; M224-L468 WeakPolarHBondContact SD-CD2 3.48Å; M224-L468 HydrophobicContact SD-CG 4.48Å
225	N	97.9	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-51.6	177.3	-73.1	-13.6	0	0	0	111.4	I196 L199 V219 N220 P221 A228 M229	I196-N225 WeakPolarHBondContact CG1-OD1 3.34Å; L199-N225 HydrophobicContact CD1-CB 3.53Å; V219-N225 PolarHBondContact O-ND2 3.14Å; N220-N225 PolarHBondContact O-ND2 3.49Å; P221-N225 VanDerWaalsContact O-CB 3.3Å; P221-N225 WeakPolarHBondContact O-CB 3.4Å; P221-N225 PolarHBondContact O-N 2.79Å; P221-N225 PolarHBondContact O-ND2 3.26Å; N225-A228 PolarHBondContact O-N 2.97Å; N225-M229 WeakPolarHBondContact O-CG 3.43Å; N225-M229 PolarHBondContact O-N 3.15Å
226	T	98.2	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-44.6	179.9	-57.4	0	0	0	0	111.2	M222 M229 Y230	M222-T226 WeakPolarHBondContact O-CB 3.48Å; M222-T226 PolarHBondContact O-N 2.67Å; M222-T226 PolarHBondContact O-OG1 3.44Å; T226-M229 PolarHBondContact O-N 2.78Å; T226-Y230 HydrophobicContact CG2-CD2 3.75Å; T226-Y230 HydrophobicContact CG2-CE2 3.44Å; T226-Y230 VanDerWaalsContact CG2-CE2 3.44Å; T226-Y230 WeakPolarHBondContact O-CD2 3.19Å; T226-Y230 PolarHBondContact O-N 3.19Å
227	W	97.8	Very high	97.4	Very high	33 Å²	33	27.8 Å²	27.8	13%	0.125	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-50.2	176.9	-168.9	-9.9	0	0	0	111.7	A223 M224 M229 Y230 A231 G428 C429 C430 I462 Q465 T466 T469	A223-W227 WeakPolarHBondContact O-CB 3.47Å; A223-W227 PolarHBondContact O-N 3.25Å; M224-W227 PolarHBondContact O-N 3.01Å; W227-M229 VanDerWaalsContact C-N 3.29Å; W227-M229 PolarHBondContact O-N 3.02Å; W227-Y230 PolarHBondContact O-N 2.85Å; W227-Y230 VanDerWaalsContact O-N 3.15Å; W227-A231 WeakPolarHBondContact O-CB 3.44Å; W227-A231 PolarHBondContact O-N 3.19Å; W227-G428 PolarHBondContact NE1-O 2.88Å; W227-G428 VanDerWaalsContact NE1-O 3.09Å; W227-C429 HydrophobicContact CD2-CB 4.45Å; W227-C429 HydrophobicContact CE3-CB 3.98Å; W227-C429 HydrophobicContact CH2-CB 3.41Å; W227-C429 VanDerWaalsContact CH2-CB 3.41Å; W227-C429 HydrophobicContact CZ2-CB 3.94Å; W227-C429 HydrophobicContact CZ3-CB 3.45Å; W227-C429 VanDerWaalsContact CZ3-CB 3.45Å; W227-C430 HydrophobicContact CB-CB 4.28Å; W227-I462 HydrophobicContact CH2-CG2 4.4Å; W227-I462 HydrophobicContact CZ3-CG2 4.22Å; W227-Q465 HydrophobicContact CE3-CB 4.13Å; W227-Q465 HydrophobicContact CZ3-CB 4.06Å; W227-T466 HydrophobicContact CH2-CG2 4.12Å; W227-T466 WeakPolarHBondContact CH2-OG1 3.29Å; W227-T469 HydrophobicContact CD2-CG2 4.32Å; W227-T469 HydrophobicContact CG-CG2 4.02Å
228	A	97.6	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-35.8	-179.1	0	0	0	0	0	112.8	I196 W200 M224 N225 R232 T469 I472	I196-A228 HydrophobicContact CD1-CB 3.81Å; I196-A228 HydrophobicContact CG1-CB 4.05Å; I196-A228 HydrophobicContact CG2-CB 3.65Å; W200-A228 HydrophobicContact CZ2-CB 4.33Å; W200-A228 PolarHBondContact NE1-O 3.3Å; M224-A228 VanDerWaalsContact O-CB 3.27Å; M224-A228 WeakPolarHBondContact O-CB 3.42Å; M224-A228 PolarHBondContact O-N 3.39Å; N225-A228 PolarHBondContact O-N 2.97Å; A228-R232 PolarHBondContact O-N 3.05Å; A228-T469 HydrophobicContact CB-CG2 4.44Å; A228-I472 HydrophobicContact CB-CG2 4.48Å
229	M	97.9	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-48.3	172.9	-71.6	-172.2	-75.1	0	0	111.5	L199 M215 N217 N225 T226 W227 A231 R232 Y233 Q238	L199-M229 HydrophobicContact CB-CG 4.04Å; L199-M229 HydrophobicContact CB-SD 3.84Å; L199-M229 HydrophobicContact CD1-CE 4.13Å; L199-M229 HydrophobicContact CD1-SD 4.27Å; L199-M229 HydrophobicContact CD2-CE 4.35Å; L199-M229 HydrophobicContact CD2-SD 4.05Å; L199-M229 HydrophobicContact CG-SD 4.28Å; M215-M229 HydrophobicContact CE-SD 4.3Å; M215-M229 HydrophobicContact SD-CE 4.21Å; M215-M229 HydrophobicContact SD-SD 3.66Å; M215-M229 VanDerWaalsContact SD-SD 3.66Å; N217-M229 HydrophobicContact CB-CE 4.27Å; N217-M229 WeakPolarHBondContact ND2-CE 3.39Å; N225-M229 WeakPolarHBondContact O-CG 3.43Å; N225-M229 PolarHBondContact O-N 3.15Å; T226-M229 PolarHBondContact O-N 2.78Å; W227-M229 VanDerWaalsContact C-N 3.29Å; W227-M229 PolarHBondContact O-N 3.02Å; M229-A231 VanDerWaalsContact C-N 3.3Å; M229-A231 PolarHBondContact O-N 3.09Å; M229-R232 PolarHBondContact O-N 2.79Å; M229-Y233 CarbonylContact O-C 3.17Å; M229-Y233 WeakPolarHBondContact O-CA 3.37Å; M229-Y233 PolarHBondContact O-N 2.79Å; M229-Q238 VanDerWaalsContact CB-NE2 3.26Å
230	Y	96.4	Very high	97.6	Very high	31 Å²	31	27 Å²	27	12%	0.122	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-37.5	177.4	-82.2	-59.2	0	0	0	113.5	T226 W227 R232 P234 Q238 R417	T226-Y230 HydrophobicContact CG2-CD2 3.75Å; T226-Y230 HydrophobicContact CG2-CE2 3.44Å; T226-Y230 VanDerWaalsContact CG2-CE2 3.44Å; T226-Y230 WeakPolarHBondContact O-CD2 3.19Å; T226-Y230 PolarHBondContact O-N 3.19Å; W227-Y230 PolarHBondContact O-N 2.85Å; W227-Y230 VanDerWaalsContact O-N 3.15Å; Y230-R232 VanDerWaalsContact C-N 3.34Å; Y230-P234 WeakPolarHBondContact O-CA 3.44Å; Y230-Q238 HydrophobicContact CD1-CG 4.27Å; Y230-Q238 HydrophobicContact CE1-CG 3.67Å; Y230-Q238 HydrophobicContact CE2-CG 4.05Å; Y230-Q238 PolarHBondContact OH-O 3.12Å; Y230-R417 HydrophobicContact CD1-CB 4.4Å; Y230-R417 HydrophobicContact CD2-CB 3.85Å; Y230-R417 HydrophobicContact CE2-CB 3.99Å; Y230-R417 VanDerWaalsContact CE2-N 3.33Å; Y230-R417 HydrophobicContact CG-CB 4.07Å
231	A	96.3	Very high	97.6	Very high	51 Å²	51	26 Å²	26	42%	0.421	13%	0.128	S	C	.	.	H	α-helix	trans	-66.7	-36.1	-178.1	0	0	0	0	0	112.3	W227 M229 L473	W227-A231 WeakPolarHBondContact O-CB 3.44Å; W227-A231 PolarHBondContact O-N 3.19Å; M229-A231 VanDerWaalsContact C-N 3.3Å; M229-A231 PolarHBondContact O-N 3.09Å; A231-L473 HydrophobicContact CB-CD1 3.71Å; A231-L473 HydrophobicContact CB-CD2 4.22Å
232	R	97.1	Very high	97.5	Very high	116 Å²	116	26.4 Å²	26.4	44%	0.438	13%	0.131	S	C	.	.	H	α-helix	trans	-97.4	-32.9	-177	-169.2	172.2	162.8	156.4	-7.2	113.9	W200 E204 A228 M229 Y230 L473	W200-R232 VanDerWaalsContact CD2-CD 3.48Å; W200-R232 VanDerWaalsContact CE2-CD 3.46Å; W200-R232 HydrophobicContact CZ2-CB 4.19Å; E204-R232 IonicContact OE1-NH2 3.33Å; E204-R232 PolarHBondContact OE1-NH2 2.9Å; E204-R232 VanDerWaalsContact OE1-NH2 3.16Å; A228-R232 PolarHBondContact O-N 3.05Å; M229-R232 PolarHBondContact O-N 2.79Å; Y230-R232 VanDerWaalsContact C-N 3.34Å; R232-L473 HydrophobicContact CB-CD2 4.28Å
233	Y	97.9	Very high	97.2	Very high	20 Å²	20	31.3 Å²	31.3	8%	0.078	15%	0.153	C	C	.	.			trans	-129.9	65.7	-177.9	-54.7	-89.9	0	0	0	111.1	W200 C203 E204 M229 H235 I236	W200-Y233 HydrophobicContact CB-CE2 3.79Å; W200-Y233 AromaticContact CD1-CD2 3.95Å; W200-Y233 AromaticContact CD1-CE2 3.59Å; W200-Y233 HydrophobicContact CG-CD2 4.5Å; W200-Y233 AromaticContact CG-CE2 3.71Å; W200-Y233 HydrophobicContact CG-CE2 3.71Å; C203-Y233 HydrophobicContact CB-CD1 3.86Å; C203-Y233 HydrophobicContact CB-CD2 3.45Å; C203-Y233 VanDerWaalsContact CB-CD2 3.45Å; C203-Y233 HydrophobicContact CB-CE1 4.24Å; C203-Y233 HydrophobicContact CB-CE2 3.87Å; C203-Y233 HydrophobicContact CB-CG 3.48Å; C203-Y233 VanDerWaalsContact CB-CG 3.48Å; E204-Y233 VanDerWaalsContact CD-OH 3.31Å; E204-Y233 HydrophobicContact CG-CE1 3.62Å; E204-Y233 WeakPolarHBondContact CG-OH 3.34Å; E204-Y233 PolarHBondContact OE1-OH 3.12Å; M229-Y233 CarbonylContact O-C 3.17Å; M229-Y233 WeakPolarHBondContact O-CA 3.37Å; M229-Y233 PolarHBondContact O-N 2.79Å; Y233-H235 AromaticContact CD1-CE1 3.93Å; Y233-H235 PolarHBondContact O-N 3.44Å; Y233-H235 VanDerWaalsContact O-N 3.1Å; Y233-I236 PolarHBondContact O-N 3.45Å; Y233-I236 VanDerWaalsContact O-N 3.11Å
234	P	96.5	Very high	97	Very high	81 Å²	81	31.3 Å²	31.3	53%	0.526	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.9	-175.5	26.8	-36.1	0	0	0	114.2	Y230	Y230-P234 WeakPolarHBondContact O-CA 3.44Å
235	H	96.8	Very high	97	Very high	98 Å²	98	31.3 Å²	31.3	45%	0.454	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.6	177.3	59.2	-75.3	0	0	0	113.8	T207 Y233 K237	T207-H235 VanDerWaalsContact CG2-NE2 3.35Å; T207-H235 WeakPolarHBondContact CG2-NE2 2.93Å; T207-H235 PolarHBondContact OG1-NE2 3.33Å; Y233-H235 AromaticContact CD1-CE1 3.93Å; Y233-H235 PolarHBondContact O-N 3.44Å; Y233-H235 VanDerWaalsContact O-N 3.1Å; H235-K237 PolarHBondContact O-N 2.94Å
236	I	98.1	Very high	96.8	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-72.9	119.9	177	-64.8	-66.4	0	0	0	109.4	C203 M206 M215 Y233 Q238	C203-I236 HydrophobicContact CB-CG1 4.16Å; M206-I236 HydrophobicContact CB-CD1 3.87Å; M206-I236 HydrophobicContact CE-CG2 4.33Å; M215-I236 HydrophobicContact CB-CG2 4.45Å; M215-I236 HydrophobicContact CE-CG2 4.48Å; Y233-I236 PolarHBondContact O-N 3.45Å; Y233-I236 VanDerWaalsContact O-N 3.11Å; I236-Q238 HydrophobicContact CG2-CB 4.35Å; I236-Q238 PolarHBondContact O-N 3.07Å
237	K	98.2	Very high	96.5	Very high	96 Å²	96	33.2 Å²	33.2	42%	0.417	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	113.1	171.7	-59.3	171.4	-162.4	160.5	0	107.8	D212 T214 M215 H235	D212-K237 PolarHBondContact O-NZ 3.3Å; D212-K237 IonicContact OD1-NZ 3.55Å; D212-K237 PolarHBondContact OD1-NZ 3.39Å; D212-K237 VanDerWaalsContact OD1-NZ 3.1Å; T214-K237 WeakPolarHBondContact CA-O 3.37Å; M215-K237 PolarHBondContact N-O 2.69Å; H235-K237 PolarHBondContact O-N 2.94Å
238	Q	97.9	Very high	96.4	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.4	-177.5	64.9	175.9	-58.6	0	0	112.5	M215 M229 Y230 I236	M215-Q238 HydrophobicContact CB-CB 4Å; M215-Q238 VanDerWaalsContact O-CA 3.28Å; M215-Q238 WeakPolarHBondContact O-CA 3.44Å; M229-Q238 VanDerWaalsContact CB-NE2 3.26Å; Y230-Q238 HydrophobicContact CD1-CG 4.27Å; Y230-Q238 HydrophobicContact CE1-CG 3.67Å; Y230-Q238 HydrophobicContact CE2-CG 4.05Å; Y230-Q238 PolarHBondContact OH-O 3.12Å; I236-Q238 HydrophobicContact CG2-CB 4.35Å; I236-Q238 PolarHBondContact O-N 3.07Å
239	V	98.6	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.6	166	63.4	0	0	0	0	109.6	M215 L216 N217 L241 I400 I412 V416 I442	M215-V239 PolarHBondContact O-N 3.26Å; L216-V239 HydrophobicContact CD2-CG1 3.8Å; N217-V239 PolarHBondContact N-O 3.22Å; V239-L241 HydrophobicContact CG1-CD1 4.4Å; V239-L241 HydrophobicContact CG1-CD2 3.92Å; V239-L241 HydrophobicContact CG1-CG 4.12Å; V239-L241 HydrophobicContact CG2-CD2 4.02Å; V239-I400 HydrophobicContact CG1-CD1 4.08Å; V239-I412 HydrophobicContact CG2-CD1 4.43Å; V239-V416 HydrophobicContact CG2-CG1 4.13Å; V239-I442 HydrophobicContact CB-CD1 3.65Å; V239-I442 HydrophobicContact CG1-CD1 3.36Å; V239-I442 HydrophobicContact CG2-CD1 4.48Å
240	G	98.5	Very high	96.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.5	169.7	0	0	0	0	0	111.9	N217 M222 N415	N217-G240 CarbonylContact O-C 3.51Å; N217-G240 WeakPolarHBondContact O-CA 3.4Å; M222-G240 WeakPolarHBondContact SD-CA 3.5Å; G240-N415 PolarHBondContact N-O 3.28Å; G240-N415 WeakPolarHBondContact O-CB 3.5Å; G240-N415 PolarHBondContact O-N 2.99Å; G240-N415 PolarHBondContact O-ND2 2.86Å; G240-N415 VanDerWaalsContact O-ND2 3.14Å
241	L	97.8	Very high	96.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.177	C	C	.	.			trans	-124.6	126.5	-170.6	-60.4	175.4	0	0	0	111	L216 N217 Y218 M222 V239 Y396 I400	L216-L241 HydrophobicContact CB-CD1 3.99Å; L216-L241 HydrophobicContact CD2-CD1 4.45Å; N217-L241 PolarHBondContact O-N 3.17Å; Y218-L241 HydrophobicContact CD1-CB 4.23Å; Y218-L241 HydrophobicContact CD2-CB 4.29Å; Y218-L241 HydrophobicContact CD2-CD1 4.27Å; Y218-L241 HydrophobicContact CE1-CB 3.9Å; Y218-L241 HydrophobicContact CE2-CB 3.93Å; Y218-L241 HydrophobicContact CE2-CD1 3.46Å; Y218-L241 VanDerWaalsContact CE2-CD1 3.46Å; Y218-L241 HydrophobicContact CE2-CG 4.3Å; Y218-L241 HydrophobicContact CG-CB 4.44Å; M222-L241 WeakPolarHBondContact CE-O 3.19Å; V239-L241 HydrophobicContact CG1-CD1 4.4Å; V239-L241 HydrophobicContact CG1-CD2 3.92Å; V239-L241 HydrophobicContact CG1-CG 4.12Å; V239-L241 HydrophobicContact CG2-CD2 4.02Å; L241-Y396 HydrophobicContact CD2-CD2 4.34Å; L241-I400 HydrophobicContact CD1-CD1 3.84Å; L241-I400 HydrophobicContact CD2-CD1 3.64Å; L241-I400 HydrophobicContact CG-CD1 4.38Å
242	C	95.3	Very high	96.1	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.061	16%	0.157	C	C	.	.			trans	-132.5	165	169.9	-161.6	0	0	0	0	109.8	S244 N271	C242-S244 PolarHBondContact SG-OG 2.78Å; C242-N271 VanDerWaalsContact CB-ND2 3.34Å; C242-N271 WeakPolarHBondContact CB-ND2 3.46Å
243	H	91.6	Very high	96.1	Very high	104 Å²	104	26.7 Å²	26.7	48%	0.481	14%	0.136	S	C	.	.	S	Bend	trans	-96.6	-5.1	-175.4	55.3	-83.3	0	0	0	113.8	V245 Q246 G247	H243-V245 VanDerWaalsContact C-N 3.3Å; H243-V245 PolarHBondContact O-N 3.22Å; H243-Q246 PolarHBondContact O-OE1 3.47Å; H243-G247 WeakPolarHBondContact O-CA 3.24Å; H243-G247 PolarHBondContact O-N 2.87Å
244	S	93.9	Very high	95.9	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-34.6	-166.8	-26.1	0	0	0	0	113.2	C242 T248 E333	C242-S244 PolarHBondContact SG-OG 2.78Å; S244-T248 WeakPolarHBondContact O-CB 3.38Å; S244-T248 PolarHBondContact O-N 3.14Å; S244-T248 PolarHBondContact O-OG1 2.62Å; S244-E333 VanDerWaalsContact CB-OE2 3.27Å; S244-E333 WeakPolarHBondContact CB-OE2 3.27Å; S244-E333 PolarHBondContact OG-OE2 3.42Å
245	V	96.6	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-75	-53.1	-177.7	-178.1	0	0	0	0	112.1	H243 A249 Y265 C267 Y276 T332 Y413	H243-V245 VanDerWaalsContact C-N 3.3Å; H243-V245 PolarHBondContact O-N 3.22Å; V245-A249 PolarHBondContact O-N 3.15Å; V245-Y265 HydrophobicContact CG1-CD2 4.37Å; V245-Y265 HydrophobicContact CG1-CE2 3.82Å; V245-C267 HydrophobicContact CG1-CB 4.04Å; V245-C267 HydrophobicContact CG2-CB 4.45Å; V245-Y276 PolarHBondContact O-OH 3.03Å; V245-T332 HydrophobicContact CG2-CG2 3.89Å; V245-Y413 HydrophobicContact CB-CD2 4.32Å; V245-Y413 HydrophobicContact CB-CG 4.16Å; V245-Y413 HydrophobicContact CG1-CD1 4.21Å; V245-Y413 HydrophobicContact CG1-CD2 3.53Å; V245-Y413 HydrophobicContact CG1-CE2 3.95Å; V245-Y413 HydrophobicContact CG1-CG 3.66Å; V245-Y413 HydrophobicContact CG2-CG 4.13Å
246	Q	93.7	Very high	96	Very high	21 Å²	21	23.5 Å²	23.5	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-69.7	-39.9	178.7	62.9	-83	28.7	0	0	111.3	H243 T248 A249 E250 Y396	H243-Q246 PolarHBondContact O-OE1 3.47Å; Q246-T248 PolarHBondContact O-N 3.45Å; Q246-A249 PolarHBondContact O-N 2.72Å; Q246-E250 WeakPolarHBondContact O-CG 3.38Å; Q246-E250 PolarHBondContact O-N 2.85Å; Q246-E250 VanDerWaalsContact O-N 3.11Å; Q246-Y396 VanDerWaalsContact OE1-CE2 3.25Å; Q246-Y396 PolarHBondContact OE1-OH 3.33Å
247	G	93	Very high	95.9	Very high	19 Å²	19	29.8 Å²	29.8	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-45	178.9	0	0	0	0	0	111.9	H243 A249 E250 E251	H243-G247 WeakPolarHBondContact O-CA 3.24Å; H243-G247 PolarHBondContact O-N 2.87Å; G247-A249 VanDerWaalsContact C-N 3.34Å; G247-A249 PolarHBondContact O-N 3.13Å; G247-E250 PolarHBondContact O-N 2.69Å; G247-E251 WeakPolarHBondContact O-CG 3.27Å; G247-E251 PolarHBondContact O-N 3.1Å
248	T	95.2	Very high	95.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-68.9	-33.3	178.5	-64.2	0	0	0	0	112.5	S244 Q246 E250 E251 L252 Y276 R320 F330 T332	S244-T248 WeakPolarHBondContact O-CB 3.38Å; S244-T248 PolarHBondContact O-N 3.14Å; S244-T248 PolarHBondContact O-OG1 2.62Å; Q246-T248 PolarHBondContact O-N 3.45Å; T248-E250 VanDerWaalsContact C-N 3.31Å; T248-E250 PolarHBondContact O-N 2.85Å; T248-E251 PolarHBondContact O-N 2.71Å; T248-L252 HydrophobicContact CG2-CD1 3.9Å; T248-L252 HydrophobicContact CG2-CG 4.04Å; T248-L252 WeakPolarHBondContact O-CB 3.42Å; T248-L252 WeakPolarHBondContact O-CG 3.17Å; T248-L252 PolarHBondContact O-N 2.95Å; T248-Y276 WeakPolarHBondContact CB-OH 3.31Å; T248-Y276 HydrophobicContact CG2-CE2 3.56Å; T248-R320 PolarHBondContact OG1-NH1 2.91Å; T248-F330 HydrophobicContact CG2-CD1 3.78Å; T248-F330 HydrophobicContact CG2-CE1 3.64Å; T248-T332 PolarHBondContact OG1-O 3.18Å
249	A	96	Very high	95.7	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-42.4	174.7	0	0	0	0	0	110.9	V245 Q246 G247 A253 L263 Y265 Y276	V245-A249 PolarHBondContact O-N 3.15Å; Q246-A249 PolarHBondContact O-N 2.72Å; G247-A249 VanDerWaalsContact C-N 3.34Å; G247-A249 PolarHBondContact O-N 3.13Å; A249-A253 WeakPolarHBondContact O-CB 3.34Å; A249-A253 PolarHBondContact O-N 3.34Å; A249-L263 HydrophobicContact CB-CD1 4.03Å; A249-L263 VanDerWaalsContact O-CD1 3.23Å; A249-L263 WeakPolarHBondContact O-CD1 3.44Å; A249-Y265 HydrophobicContact CB-CD1 3.94Å; A249-Y265 HydrophobicContact CB-CE1 3.38Å; A249-Y276 HydrophobicContact CB-CE1 4.24Å; A249-Y276 PolarHBondContact N-OH 3.24Å
250	E	93.8	Very high	95.4	Very high	62 Å²	62	33.4 Å²	33.4	29%	0.29	17%	0.172	S	C	.	.	H	α-helix	trans	-65	-42	175.1	-68.5	179.6	-174.1	0	0	112.4	Q246 G247 T248 R254 P260 R394	Q246-E250 WeakPolarHBondContact O-CG 3.38Å; Q246-E250 PolarHBondContact O-N 2.85Å; Q246-E250 VanDerWaalsContact O-N 3.11Å; G247-E250 PolarHBondContact O-N 2.69Å; T248-E250 VanDerWaalsContact C-N 3.31Å; T248-E250 PolarHBondContact O-N 2.85Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 PolarHBondContact O-N 3.29Å; E250-P260 HydrophobicContact CG-CB 4.27Å; E250-R394 WeakPolarHBondContact OE1-CD 3.42Å; E250-R394 IonicContact OE1-CZ 3.41Å; E250-R394 IonicContact OE1-NE 3.68Å; E250-R394 IonicContact OE1-NH1 2.82Å; E250-R394 PolarHBondContact OE1-NH1 3.09Å
251	E	94.6	Very high	95.2	Very high	23 Å²	23	37.5 Å²	37.5	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-46.1	175.3	-74	-174.4	165.1	0	0	112	G247 T248 R254 D255 I309 R320	G247-E251 WeakPolarHBondContact O-CG 3.27Å; G247-E251 PolarHBondContact O-N 3.1Å; T248-E251 PolarHBondContact O-N 2.71Å; E251-R254 WeakPolarHBondContact O-CB 3.29Å; E251-R254 PolarHBondContact O-N 3.03Å; E251-D255 PolarHBondContact O-N 3.36Å; E251-I309 HydrophobicContact CG-CD1 4.28Å; E251-R320 IonicContact OE2-CZ 3.82Å; E251-R320 IonicContact OE2-NH1 3.38Å; E251-R320 IonicContact OE2-NH2 3.53Å; E251-R320 PolarHBondContact OE2-NH2 3.42Å
252	L	96.7	Very high	95.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-39.8	179.5	-67.3	178.6	0	0	0	112.2	T248 R254 D255 L256 Y276 L279 L295 Y321 F330	T248-L252 HydrophobicContact CG2-CD1 3.9Å; T248-L252 HydrophobicContact CG2-CG 4.04Å; T248-L252 WeakPolarHBondContact O-CB 3.42Å; T248-L252 WeakPolarHBondContact O-CG 3.17Å; T248-L252 PolarHBondContact O-N 2.95Å; L252-R254 VanDerWaalsContact C-N 3.31Å; L252-R254 PolarHBondContact O-N 3.44Å; L252-D255 PolarHBondContact O-N 2.84Å; L252-L256 PolarHBondContact O-N 3.39Å; L252-Y276 HydrophobicContact CD1-CE2 4.44Å; L252-L279 HydrophobicContact CD1-CD2 3.57Å; L252-L295 HydrophobicContact CB-CD2 4.44Å; L252-L295 HydrophobicContact CD1-CD1 4.3Å; L252-L295 HydrophobicContact CD2-CD1 4.21Å; L252-L295 HydrophobicContact CD2-CD2 3.93Å; L252-Y321 HydrophobicContact CD2-CE2 4.45Å; L252-F330 HydrophobicContact CD1-CB 4.42Å; L252-F330 HydrophobicContact CD1-CD1 3.86Å; L252-F330 HydrophobicContact CD1-CD2 4.44Å; L252-F330 HydrophobicContact CD1-CE1 4.24Å; L252-F330 HydrophobicContact CD1-CG 3.98Å; L252-F330 HydrophobicContact CD2-CD1 4.2Å; L252-F330 HydrophobicContact CD2-CD2 3.98Å; L252-F330 HydrophobicContact CD2-CE1 3.86Å; L252-F330 HydrophobicContact CD2-CE2 3.66Å; L252-F330 HydrophobicContact CD2-CG 4.26Å; L252-F330 HydrophobicContact CD2-CZ 3.61Å; L252-F330 HydrophobicContact CG-CD1 4.45Å; L252-F330 HydrophobicContact CG-CE1 4.34Å
253	A	96.7	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-45.3	172.3	0	0	0	0	0	111.2	A249 D255 L256 N257 I258 P260 L263	A249-A253 WeakPolarHBondContact O-CB 3.34Å; A249-A253 PolarHBondContact O-N 3.34Å; A253-D255 PolarHBondContact O-N 3.23Å; A253-L256 CarbonylContact O-C 3.59Å; A253-L256 PolarHBondContact O-N 2.8Å; A253-N257 PolarHBondContact O-N 3.46Å; A253-I258 HydrophobicContact CB-CG1 3.88Å; A253-I258 WeakPolarHBondContact O-CG1 3.13Å; A253-I258 PolarHBondContact O-N 3.23Å; A253-P260 HydrophobicContact CB-CB 4.09Å; A253-P260 HydrophobicContact CB-CG 3.8Å; A253-L263 HydrophobicContact CB-CD1 3.86Å; A253-L263 HydrophobicContact CB-CG 4.37Å
254	R	95.5	Very high	95.5	Very high	98 Å²	98	40.2 Å²	40.2	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-44.9	176.8	-178.6	-167.6	125	103.3	-5.9	111.3	E250 E251 L252 L256 N257 K306 P307	E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 PolarHBondContact O-N 3.29Å; E251-R254 WeakPolarHBondContact O-CB 3.29Å; E251-R254 PolarHBondContact O-N 3.03Å; L252-R254 VanDerWaalsContact C-N 3.31Å; L252-R254 PolarHBondContact O-N 3.44Å; R254-L256 PolarHBondContact O-N 2.65Å; R254-N257 PolarHBondContact O-N 2.85Å; R254-K306 PolarHBondContact O-NZ 3.27Å; R254-P307 PolarHBondContact NH2-O 3.36Å
255	D	96.5	Very high	95.7	Very high	7 Å²	7	43 Å²	43	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-36.2	-179.7	-78.1	-15.1	0	0	0	111.8	E251 L252 A253 A304 P305 K306 Y321	E251-D255 PolarHBondContact O-N 3.36Å; L252-D255 PolarHBondContact O-N 2.84Å; A253-D255 PolarHBondContact O-N 3.23Å; D255-A304 HydrophobicContact CB-CB 3.97Å; D255-P305 WeakPolarHBondContact OD2-CA 3.47Å; D255-K306 WeakPolarHBondContact O-CE 3.45Å; D255-K306 PolarHBondContact O-NZ 2.95Å; D255-K306 WeakPolarHBondContact OD1-CB 3.29Å; D255-K306 WeakPolarHBondContact OD1-CG 3.27Å; D255-K306 PolarHBondContact OD1-N 2.93Å; D255-Y321 PolarHBondContact OD2-OH 3.25Å
256	L	97.5	Very high	95.7	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-85.4	-2.7	173.6	-63.8	-174.9	0	0	0	115.5	L252 A253 R254 I258 L291 E294 L295 A298	L252-L256 PolarHBondContact O-N 3.39Å; A253-L256 CarbonylContact O-C 3.59Å; A253-L256 PolarHBondContact O-N 2.8Å; R254-L256 PolarHBondContact O-N 2.65Å; L256-I258 VanDerWaalsContact C-N 3.33Å; L256-I258 HydrophobicContact CB-CD1 4.33Å; L256-I258 HydrophobicContact CB-CG1 4.17Å; L256-I258 HydrophobicContact CB-CG2 4.29Å; L256-I258 HydrophobicContact CD1-CD1 4.31Å; L256-L291 HydrophobicContact CD1-CB 4.22Å; L256-L291 HydrophobicContact CD1-CD1 4.29Å; L256-L291 HydrophobicContact CD1-CD2 3.92Å; L256-L291 HydrophobicContact CD1-CG 4.38Å; L256-E294 HydrophobicContact CD1-CB 4.17Å; L256-E294 HydrophobicContact CD2-CB 4.2Å; L256-L295 HydrophobicContact CD1-CD2 3.93Å; L256-L295 HydrophobicContact CD1-CG 3.96Å; L256-L295 HydrophobicContact CD2-CD2 3.93Å; L256-L295 HydrophobicContact CD2-CG 4.38Å; L256-L295 HydrophobicContact CG-CD2 3.72Å; L256-L295 HydrophobicContact CG-CG 4.27Å; L256-A298 HydrophobicContact CD2-CB 4.05Å
257	N	96.3	Very high	96	Very high	136 Å²	136	45.9 Å²	45.9	73%	0.727	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	40.4	-172	-52.2	-74.5	0	0	0	113.7	A253 R254 K306	A253-N257 PolarHBondContact O-N 3.46Å; R254-N257 PolarHBondContact O-N 2.85Å; N257-K306 PolarHBondContact ND2-NZ 3.39Å; N257-K306 PolarHBondContact OD1-NZ 3.15Å
258	I	95.9	Very high	96.2	Very high	31 Å²	31	45 Å²	45	16%	0.159	23%	0.229	C	C	.	.			trans	-111.8	156.9	175.7	62.5	177.3	0	0	0	111.2	A253 L256 P260 L263 R281 L291	A253-I258 HydrophobicContact CB-CG1 3.88Å; A253-I258 WeakPolarHBondContact O-CG1 3.13Å; A253-I258 PolarHBondContact O-N 3.23Å; L256-I258 VanDerWaalsContact C-N 3.33Å; L256-I258 HydrophobicContact CB-CD1 4.33Å; L256-I258 HydrophobicContact CB-CG1 4.17Å; L256-I258 HydrophobicContact CB-CG2 4.29Å; L256-I258 HydrophobicContact CD1-CD1 4.31Å; I258-P260 WeakPolarHBondContact O-CD 3.39Å; I258-L263 HydrophobicContact CD1-CD2 3.74Å; I258-R281 HydrophobicContact CD1-CB 4.34Å; I258-R281 HydrophobicContact CD1-CG 4.35Å; I258-L291 HydrophobicContact CD1-CD1 3.68Å; I258-L291 HydrophobicContact CD1-CD2 4.2Å
259	D	95.3	Very high	96.4	Very high	97 Å²	97	44.9 Å²	44.9	52%	0.519	23%	0.228	S	C	.	.			trans	-70.7	120	175.8	179.5	1	0	0	0	110	A261 T262	D259-A261 PolarHBondContact O-N 3.11Å; D259-A261 VanDerWaalsContact O-N 3.11Å; D259-A261 WeakPolarHBondContact OD1-CB 3.42Å; D259-A261 PolarHBondContact OD1-N 3.14Å; D259-T262 HydrophobicContact CB-CG2 4.08Å; D259-T262 PolarHBondContact O-N 2.95Å; D259-T262 PolarHBondContact O-OG1 3.22Å
260	P	94.1	Very high	96.5	Very high	52 Å²	52	44.7 Å²	44.7	34%	0.338	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54.4	-28.4	176.6	-23.3	31.8	0	0	0	113.7	E250 A253 I258 T262 L263	E250-P260 HydrophobicContact CG-CB 4.27Å; A253-P260 HydrophobicContact CB-CB 4.09Å; A253-P260 HydrophobicContact CB-CG 3.8Å; I258-P260 WeakPolarHBondContact O-CD 3.39Å; P260-T262 PolarHBondContact O-N 3.17Å; P260-L263 WeakPolarHBondContact O-CB 3.43Å; P260-L263 PolarHBondContact O-N 3.42Å; P260-L263 VanDerWaalsContact O-N 3.11Å
261	A	93.8	Very high	96.7	Very high	87 Å²	87	41.9 Å²	41.9	72%	0.719	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-67.6	-13.9	178.7	0	0	0	0	0	113.6	D259	D259-A261 PolarHBondContact O-N 3.11Å; D259-A261 VanDerWaalsContact O-N 3.11Å; D259-A261 WeakPolarHBondContact OD1-CB 3.42Å; D259-A261 PolarHBondContact OD1-N 3.14Å
262	T	96.3	Very high	96.8	Very high	42 Å²	42	41 Å²	41	26%	0.258	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-89.7	-5.1	176	65.8	0	0	0	0	113.3	D259 P260 K282	D259-T262 HydrophobicContact CB-CG2 4.08Å; D259-T262 PolarHBondContact O-N 2.95Å; D259-T262 PolarHBondContact O-OG1 3.22Å; P260-T262 PolarHBondContact O-N 3.17Å; T262-K282 PolarHBondContact O-N 3.03Å
263	L	97.4	Very high	96.9	Very high	26 Å²	26	40.9 Å²	40.9	14%	0.136	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.9	-178.8	-67.7	-172.4	0	0	0	112.4	A249 A253 I258 P260 Y265 L279 E280 L291	A249-L263 HydrophobicContact CB-CD1 4.03Å; A249-L263 VanDerWaalsContact O-CD1 3.23Å; A249-L263 WeakPolarHBondContact O-CD1 3.44Å; A253-L263 HydrophobicContact CB-CD1 3.86Å; A253-L263 HydrophobicContact CB-CG 4.37Å; I258-L263 HydrophobicContact CD1-CD2 3.74Å; P260-L263 WeakPolarHBondContact O-CB 3.43Å; P260-L263 PolarHBondContact O-N 3.42Å; P260-L263 VanDerWaalsContact O-N 3.11Å; L263-Y265 HydrophobicContact CB-CD1 4.19Å; L263-Y265 HydrophobicContact CB-CE1 4.41Å; L263-L279 HydrophobicContact CD1-CD1 4.43Å; L263-L279 HydrophobicContact CD2-CD1 4.45Å; L263-E280 WeakPolarHBondContact CA-O 3.36Å; L263-L291 HydrophobicContact CD2-CD1 3.41Å; L263-L291 VanDerWaalsContact CD2-CD1 3.41Å
264	R	96.3	Very high	97	Very high	105 Å²	105	40.9 Å²	40.9	40%	0.396	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134	162.8	177.7	175.7	73.8	178.4	3.7	107.9	E280 Y288	R264-E280 IonicContact CZ-OE2 2.85Å; R264-E280 PolarHBondContact N-O 3.27Å; R264-E280 IonicContact NE-OE2 2.63Å; R264-E280 PolarHBondContact NE-OE2 2.9Å; R264-E280 IonicContact NH2-OE1 3.18Å; R264-E280 IonicContact NH2-OE2 3.66Å; R264-E280 PolarHBondContact NH2-OE2 3.41Å; R264-E280 PolarHBondContact O-N 3.03Å; R264-Y288 HydrophobicContact CB-CD1 4Å; R264-Y288 HydrophobicContact CB-CE1 3.68Å; R264-Y288 HydrophobicContact CG-CE1 4.4Å; R264-Y288 VanDerWaalsContact CZ-CD2 3.49Å; R264-Y288 VanDerWaalsContact CZ-CG 3.49Å
265	Y	97.9	Very high	97.2	Very high	62 Å²	62	36.2 Å²	36.2	24%	0.243	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155	178.5	50.5	-96.4	0	0	0	112.9	V245 A249 L263 Y276 E278 L279 Y413	V245-Y265 HydrophobicContact CG1-CD2 4.37Å; V245-Y265 HydrophobicContact CG1-CE2 3.82Å; A249-Y265 HydrophobicContact CB-CD1 3.94Å; A249-Y265 HydrophobicContact CB-CE1 3.38Å; L263-Y265 HydrophobicContact CB-CD1 4.19Å; L263-Y265 HydrophobicContact CB-CE1 4.41Å; Y265-Y276 HydrophobicContact CD1-CE1 4.39Å; Y265-Y276 HydrophobicContact CD2-CD1 4.35Å; Y265-Y276 AromaticContact CD2-CE1 3.95Å; Y265-Y276 HydrophobicContact CD2-CE1 3.95Å; Y265-Y276 HydrophobicContact CG-CD1 4.12Å; Y265-Y276 AromaticContact CG-CE1 3.88Å; Y265-Y276 HydrophobicContact CG-CE1 3.88Å; Y265-E278 CarbonylContact C-O 3.23Å; Y265-E278 WeakPolarHBondContact CA-O 3.46Å; Y265-E278 WeakPolarHBondContact CB-O 3.37Å; Y265-L279 HydrophobicContact CD1-CD1 4.38Å; Y265-Y413 AromaticContact CD2-CE2 3.96Å; Y265-Y413 HydrophobicContact CD2-CE2 3.96Å; Y265-Y413 HydrophobicContact CE2-CD2 4.28Å; Y265-Y413 AromaticContact CE2-CE2 3.57Å; Y265-Y413 HydrophobicContact CE2-CE2 3.57Å; Y265-Y413 PolarHBondContact O-OH 2.75Å
266	R	98.1	Very high	97.3	Very high	81 Å²	81	35.9 Å²	35.9	31%	0.306	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	115	169.4	-168.6	167	63.7	100.5	1.4	109.4	Y276 L277 E278 Y413 V447	R266-Y276 CarbonylContact O-C 3.57Å; R266-L277 PolarHBondContact O-N 3.48Å; R266-E278 HydrophobicContact CB-CB 4.08Å; R266-E278 IonicContact CZ-OE1 2.77Å; R266-E278 VanDerWaalsContact CZ-OE1 3.25Å; R266-E278 PolarHBondContact N-O 3.39Å; R266-E278 IonicContact NE-OE1 3.14Å; R266-E278 PolarHBondContact NE-OE1 3.13Å; R266-E278 IonicContact NE-OE2 3.25Å; R266-E278 IonicContact NH2-OE1 2.86Å; R266-E278 PolarHBondContact NH2-OE1 3.17Å; R266-E278 PolarHBondContact O-N 2.84Å; R266-Y413 VanDerWaalsContact CA-OH 3.24Å; R266-Y413 WeakPolarHBondContact CA-OH 3.47Å; R266-V447 PolarHBondContact NH1-O 3.49Å
267	C	98.2	Very high	97.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.8	174	-63.1	0	0	0	0	111.9	V245 F275 Y276 Y413	V245-C267 HydrophobicContact CG1-CB 4.04Å; V245-C267 HydrophobicContact CG2-CB 4.45Å; C267-F275 VanDerWaalsContact CA-O 3.27Å; C267-F275 WeakPolarHBondContact CA-O 3.44Å; C267-Y276 WeakPolarHBondContact SG-CD1 3.36Å; C267-Y276 WeakPolarHBondContact SG-CE1 3.34Å; C267-Y276 VanDerWaalsContact SG-CG 3.57Å; C267-Y413 HydrophobicContact CB-CD1 3.86Å; C267-Y413 HydrophobicContact CB-CE1 3.52Å; C267-Y413 VanDerWaalsContact N-CE1 3.35Å; C267-Y413 PolarHBondContact N-OH 2.95Å; C267-Y413 VanDerWaalsContact N-OH 3.11Å; C267-Y413 VanDerWaalsContact O-CE1 3.29Å; C267-Y413 WeakPolarHBondContact O-CE1 3.36Å
268	A	98.7	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	149.5	169.8	0	0	0	0	0	111.7	F275 L277 I422 E432 V447 L450	A268-F275 PolarHBondContact N-O 3.32Å; A268-F275 PolarHBondContact O-N 2.86Å; A268-L277 HydrophobicContact CB-CD1 3.84Å; A268-L277 HydrophobicContact CB-CG 4.34Å; A268-I422 HydrophobicContact CB-CD1 4.19Å; A268-E432 WeakPolarHBondContact CA-O 3.23Å; A268-V447 HydrophobicContact CB-CB 4.23Å; A268-V447 HydrophobicContact CB-CG1 3.52Å; A268-V447 HydrophobicContact CB-CG2 3.72Å; A268-L450 HydrophobicContact CB-CD2 3.88Å
269	G	98.7	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	156.8	-128.2	171.3	0	0	0	0	0	110.9	V431 E432 M458	G269-V431 CarbonylContact O-C 3.53Å; G269-V431 VanDerWaalsContact O-CA 3.27Å; G269-V431 WeakPolarHBondContact O-CA 3.37Å; G269-V431 WeakPolarHBondContact O-CB 3.38Å; G269-E432 PolarHBondContact N-O 3.15Å; G269-E432 VanDerWaalsContact N-O 3.1Å; G269-E432 PolarHBondContact O-N 3.32Å; G269-M458 VanDerWaalsContact CA-CE 3.43Å; G269-M458 VanDerWaalsContact CA-SD 3.53Å
270	I	98.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-125	160.3	174	61.9	179	0	0	0	109.1	H272 M273 A274 L425 C430 M458 N461 I462	I270-H272 PolarHBondContact O-N 3.42Å; I270-M273 HydrophobicContact CD1-CB 4.16Å; I270-M273 HydrophobicContact CG1-CB 3.77Å; I270-M273 CarbonylContact O-C 2.96Å; I270-M273 VanDerWaalsContact O-C 3.23Å; I270-M273 PolarHBondContact O-N 2.84Å; I270-A274 PolarHBondContact O-N 3.42Å; I270-L425 HydrophobicContact CG2-CD1 4.37Å; I270-C430 WeakPolarHBondContact CG2-O 3.42Å; I270-M458 HydrophobicContact CD1-CB 4.21Å; I270-M458 HydrophobicContact CG1-CB 4.48Å; I270-M458 HydrophobicContact CG1-CG 4.38Å; I270-N461 HydrophobicContact CD1-CB 3.61Å; I270-I462 HydrophobicContact CD1-CG1 4.1Å; I270-I462 HydrophobicContact CG2-CD1 3.81Å; I270-I462 HydrophobicContact CG2-CG1 3.92Å
271	N	98.1	Very high	97.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	136.1	172.5	-172.3	-116.3	0	0	0	110.2	M222 A223 C242 M273 N415	M222-N271 HydrophobicContact CB-CB 4.01Å; M222-N271 VanDerWaalsContact CB-CG 3.46Å; M222-N271 WeakPolarHBondContact CB-OD1 3.42Å; M222-N271 HydrophobicContact CG-CB 4.34Å; A223-N271 HydrophobicContact CB-CB 4.32Å; C242-N271 VanDerWaalsContact CB-ND2 3.34Å; C242-N271 WeakPolarHBondContact CB-ND2 3.46Å; N271-M273 PolarHBondContact O-N 3.01Å; N271-M273 VanDerWaalsContact O-N 3.13Å; N271-N415 WeakPolarHBondContact CA-OD1 3.47Å; N271-N415 WeakPolarHBondContact CB-OD1 3.33Å; N271-N415 PolarHBondContact N-OD1 3.16Å
272	H	97.4	Very high	98	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	6	179.6	-73.4	-157.3	0	0	0	115.9	T183 I270 E333 H337 Y341	T183-H272 HydrophobicContact CG2-CB 3.78Å; T183-H272 WeakPolarHBondContact CG2-ND1 3.17Å; T183-H272 PolarHBondContact OG1-CE1 3.38Å; T183-H272 PolarHBondContact OG1-ND1 2.9Å; I270-H272 PolarHBondContact O-N 3.42Å; H272-E333 HydrophobicContact CB-CB 4.12Å; H272-E333 HydrophobicContact CB-CG 3.83Å; H272-E333 IonicContact CD2-OE2 2.86Å; H272-E333 PolarHBondContact CD2-OE2 3.47Å; H272-E333 IonicContact CE1-OE2 2.93Å; H272-E333 IonicContact CG-OE2 3.97Å; H272-E333 IonicContact NE2-OE2 3.19Å; H272-E333 PolarHBondContact NE2-OE2 3.4Å; H272-E333 WeakPolarHBondContact O-CB 3.3Å; H272-H337 AromaticContact CE1-CD2 3.99Å; H272-H337 AromaticContact CE1-NE2 3.97Å; H272-Y341 HydrophobicContact CB-CD2 4.46Å; H272-Y341 HydrophobicContact CB-CE2 3.74Å; H272-Y341 AromaticContact ND1-CZ 3.98Å; H272-Y341 PolarHBondContact ND1-OH 3.02Å
273	M	98	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.128	C	C	.	.			trans	-153.3	40.2	172.8	-163.3	173.1	-74	0	0	112.1	I270 N271 F275 F338 T342 L457 M458 N461	I270-M273 HydrophobicContact CD1-CB 4.16Å; I270-M273 HydrophobicContact CG1-CB 3.77Å; I270-M273 CarbonylContact O-C 2.96Å; I270-M273 VanDerWaalsContact O-C 3.23Å; I270-M273 PolarHBondContact O-N 2.84Å; N271-M273 PolarHBondContact O-N 3.01Å; N271-M273 VanDerWaalsContact O-N 3.13Å; M273-F275 HydrophobicContact CG-CE2 4Å; M273-F275 HydrophobicContact CG-CZ 4.38Å; M273-F338 HydrophobicContact CE-CD2 4.39Å; M273-F338 HydrophobicContact CE-CE2 3.97Å; M273-F338 HydrophobicContact CG-CE2 4.09Å; M273-T342 HydrophobicContact CE-CG2 4.24Å; M273-L457 HydrophobicContact SD-CD1 4.46Å; M273-L457 HydrophobicContact SD-CD2 4.33Å; M273-L457 HydrophobicContact SD-CG 3.73Å; M273-M458 HydrophobicContact CG-CG 4.39Å; M273-M458 WeakPolarHBondContact O-CE 3.48Å; M273-N461 WeakPolarHBondContact CE-ND2 3.29Å
274	A	98.5	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.			trans	-85.5	152.3	170	0	0	0	0	0	110.6	I270 V331 T332 E432	I270-A274 PolarHBondContact O-N 3.42Å; A274-V331 CarbonylContact O-C 3.58Å; A274-V331 WeakPolarHBondContact O-CA 3.46Å; A274-V331 VanDerWaalsContact O-CG2 3.29Å; A274-V331 WeakPolarHBondContact O-CG2 3.19Å; A274-T332 HydrophobicContact CB-CG2 3.96Å; A274-T332 WeakPolarHBondContact O-CG2 3.2Å; A274-T332 PolarHBondContact O-N 2.86Å; A274-T332 PolarHBondContact O-OG1 2.85Å; A274-E432 HydrophobicContact CB-CB 4.34Å
275	F	98.8	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.7	179	-66.5	-96.1	0	0	0	111.1	C267 A268 M273 L277 L327 F330 V331 L454 L457 M458	C267-F275 VanDerWaalsContact CA-O 3.27Å; C267-F275 WeakPolarHBondContact CA-O 3.44Å; A268-F275 PolarHBondContact N-O 3.32Å; A268-F275 PolarHBondContact O-N 2.86Å; M273-F275 HydrophobicContact CG-CE2 4Å; M273-F275 HydrophobicContact CG-CZ 4.38Å; F275-L277 PolarHBondContact O-N 3.43Å; F275-L277 VanDerWaalsContact O-N 3.1Å; F275-L327 HydrophobicContact CE1-CD1 3.79Å; F275-L327 HydrophobicContact CZ-CD1 4.02Å; F275-F330 VanDerWaalsContact CA-O 3.3Å; F275-F330 WeakPolarHBondContact CA-O 3.18Å; F275-V331 HydrophobicContact CD1-CB 3.89Å; F275-V331 HydrophobicContact CD1-CG2 4.38Å; F275-V331 HydrophobicContact CE1-CB 3.61Å; F275-V331 HydrophobicContact CE1-CG2 4.04Å; F275-V331 HydrophobicContact CE2-CG2 4.38Å; F275-V331 HydrophobicContact CZ-CB 4.1Å; F275-V331 HydrophobicContact CZ-CG2 4.03Å; F275-L454 HydrophobicContact CB-CD1 4.1Å; F275-L454 HydrophobicContact CD1-CD1 4.43Å; F275-L454 HydrophobicContact CD1-CD2 4.07Å; F275-L454 HydrophobicContact CD2-CB 4.37Å; F275-L454 HydrophobicContact CD2-CD1 4.23Å; F275-L454 HydrophobicContact CD2-CD2 4.3Å; F275-L454 HydrophobicContact CE1-CD2 3.92Å; F275-L454 HydrophobicContact CE2-CB 4.41Å; F275-L454 HydrophobicContact CE2-CD2 4.16Å; F275-L454 HydrophobicContact CG-CD1 4Å; F275-L454 HydrophobicContact CG-CD2 4.26Å; F275-L454 HydrophobicContact CZ-CD2 3.98Å; F275-L457 HydrophobicContact CZ-CD2 4.12Å; F275-M458 HydrophobicContact CD2-CE 3.39Å; F275-M458 HydrophobicContact CE2-CE 3.78Å
276	Y	98.7	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	100.2	168.4	-69.6	-97.3	0	0	0	108.8	V245 T248 A249 L252 Y265 R266 C267 E278 L279 Y292 Y329 F330 T332	V245-Y276 PolarHBondContact O-OH 3.03Å; T248-Y276 WeakPolarHBondContact CB-OH 3.31Å; T248-Y276 HydrophobicContact CG2-CE2 3.56Å; A249-Y276 HydrophobicContact CB-CE1 4.24Å; A249-Y276 PolarHBondContact N-OH 3.24Å; L252-Y276 HydrophobicContact CD1-CE2 4.44Å; Y265-Y276 HydrophobicContact CD1-CE1 4.39Å; Y265-Y276 HydrophobicContact CD2-CD1 4.35Å; Y265-Y276 AromaticContact CD2-CE1 3.95Å; Y265-Y276 HydrophobicContact CD2-CE1 3.95Å; Y265-Y276 HydrophobicContact CG-CD1 4.12Å; Y265-Y276 AromaticContact CG-CE1 3.88Å; Y265-Y276 HydrophobicContact CG-CE1 3.88Å; R266-Y276 CarbonylContact O-C 3.57Å; C267-Y276 WeakPolarHBondContact SG-CD1 3.36Å; C267-Y276 WeakPolarHBondContact SG-CE1 3.34Å; C267-Y276 VanDerWaalsContact SG-CG 3.57Å; Y276-E278 VanDerWaalsContact C-N 3.3Å; Y276-L279 HydrophobicContact CD1-CB 4.36Å; Y276-L279 HydrophobicContact CD1-CD1 4.06Å; Y276-L279 HydrophobicContact CE1-CD1 4.38Å; Y276-Y292 VanDerWaalsContact CB-OH 3.32Å; Y276-Y292 WeakPolarHBondContact CB-OH 3.36Å; Y276-Y292 PolarHBondContact O-OH 2.96Å; Y276-Y329 WeakPolarHBondContact O-CD1 3.47Å; Y276-F330 HydrophobicContact CD2-CB 4.26Å; Y276-F330 WeakPolarHBondContact CD2-O 3.35Å; Y276-F330 PolarHBondContact N-O 2.81Å; Y276-T332 HydrophobicContact CD2-CG2 4.14Å; Y276-T332 HydrophobicContact CE2-CG2 3.67Å
277	L	98.5	Very high	97.7	Very high	28 Å²	28	32.4 Å²	32.4	15%	0.147	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-34	175.5	-56.5	-175.4	0	0	0	111.3	R266 A268 F275 Y329 V447 L450 L454	R266-L277 PolarHBondContact O-N 3.48Å; A268-L277 HydrophobicContact CB-CD1 3.84Å; A268-L277 HydrophobicContact CB-CG 4.34Å; F275-L277 PolarHBondContact O-N 3.43Å; F275-L277 VanDerWaalsContact O-N 3.1Å; L277-Y329 HydrophobicContact CD2-CD1 4.47Å; L277-V447 HydrophobicContact CD1-CG1 3.74Å; L277-L450 HydrophobicContact CD1-CD2 3.67Å; L277-L450 HydrophobicContact CD2-CD2 3.98Å; L277-L450 HydrophobicContact CG-CD2 4.38Å; L277-L454 HydrophobicContact CD2-CD1 4.45Å
278	E	98.1	Very high	97.7	Very high	75 Å²	75	36.5 Å²	36.5	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	173.4	-69	155.2	-140.8	0	0	108	Y265 R266 Y276	Y265-E278 CarbonylContact C-O 3.23Å; Y265-E278 WeakPolarHBondContact CA-O 3.46Å; Y265-E278 WeakPolarHBondContact CB-O 3.37Å; R266-E278 HydrophobicContact CB-CB 4.08Å; R266-E278 IonicContact CZ-OE1 2.77Å; R266-E278 VanDerWaalsContact CZ-OE1 3.25Å; R266-E278 PolarHBondContact N-O 3.39Å; R266-E278 IonicContact NE-OE1 3.14Å; R266-E278 PolarHBondContact NE-OE1 3.13Å; R266-E278 IonicContact NE-OE2 3.25Å; R266-E278 IonicContact NH2-OE1 2.86Å; R266-E278 PolarHBondContact NH2-OE1 3.17Å; R266-E278 PolarHBondContact O-N 2.84Å; Y276-E278 VanDerWaalsContact C-N 3.3Å
279	L	98.5	Very high	97.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	109.7	172.3	178.6	62.9	0	0	0	108.9	L252 L263 Y265 Y276 L291 Y292 L295	L252-L279 HydrophobicContact CD1-CD2 3.57Å; L263-L279 HydrophobicContact CD1-CD1 4.43Å; L263-L279 HydrophobicContact CD2-CD1 4.45Å; Y265-L279 HydrophobicContact CD1-CD1 4.38Å; Y276-L279 HydrophobicContact CD1-CB 4.36Å; Y276-L279 HydrophobicContact CD1-CD1 4.06Å; Y276-L279 HydrophobicContact CE1-CD1 4.38Å; L279-L291 HydrophobicContact CD1-CD1 4.48Å; L279-L291 HydrophobicContact CD2-CB 4.5Å; L279-L291 HydrophobicContact CG-CB 4.28Å; L279-L291 HydrophobicContact CG-CD1 4.15Å; L279-L291 PolarHBondContact O-N 2.74Å; L279-Y292 HydrophobicContact CB-CD1 4.31Å; L279-Y292 HydrophobicContact CB-CE1 3.82Å; L279-Y292 HydrophobicContact CD2-CD1 4.34Å; L279-Y292 HydrophobicContact CD2-CE1 3.93Å; L279-Y292 HydrophobicContact CG-CE1 4.48Å; L279-L295 HydrophobicContact CD2-CD1 3.75Å
280	E	98.5	Very high	97.6	Very high	39 Å²	39	43.1 Å²	43.1	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.5	-170.4	-58.6	173.3	128.3	0	0	111.2	L263 R264 Y288 V289	L263-E280 WeakPolarHBondContact CA-O 3.36Å; R264-E280 IonicContact CZ-OE2 2.85Å; R264-E280 PolarHBondContact N-O 3.27Å; R264-E280 IonicContact NE-OE2 2.63Å; R264-E280 PolarHBondContact NE-OE2 2.9Å; R264-E280 IonicContact NH2-OE1 3.18Å; R264-E280 IonicContact NH2-OE2 3.66Å; R264-E280 PolarHBondContact NH2-OE2 3.41Å; R264-E280 PolarHBondContact O-N 3.03Å; E280-Y288 HydrophobicContact CB-CD1 4.31Å; E280-V289 CarbonylContact C-O 3.57Å; E280-V289 WeakPolarHBondContact CA-O 3.34Å; E280-V289 WeakPolarHBondContact CB-O 3.29Å
281	R	97.9	Very high	97.6	Very high	50 Å²	50	43.2 Å²	43.2	19%	0.189	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136	171.5	174.6	-179.1	68.3	-129.5	-7.1	109.8	I258 Y288 V289 L291 E294	I258-R281 HydrophobicContact CD1-CB 4.34Å; I258-R281 HydrophobicContact CD1-CG 4.35Å; R281-Y288 WeakPolarHBondContact O-CA 3.27Å; R281-V289 PolarHBondContact N-O 3.34Å; R281-V289 PolarHBondContact O-N 2.82Å; R281-L291 HydrophobicContact CB-CD1 4.09Å; R281-L291 HydrophobicContact CB-CD2 3.74Å; R281-L291 HydrophobicContact CB-CG 4.1Å; R281-E294 IonicContact CZ-OE1 3.46Å; R281-E294 IonicContact CZ-OE2 2.84Å; R281-E294 IonicContact NH1-OE1 2.85Å; R281-E294 IonicContact NH1-OE2 3.86Å; R281-E294 PolarHBondContact NH1-OE2 2.86Å; R281-E294 IonicContact NH2-OE1 3.84Å; R281-E294 PolarHBondContact NH2-OE1 3.19Å; R281-E294 IonicContact NH2-OE2 3.63Å; R281-E294 PolarHBondContact NH2-OE2 3.25Å
282	K	97.9	Very high	97.6	Very high	104 Å²	104	44.4 Å²	44.4	45%	0.452	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.1	168.9	-166.9	177.6	-177.4	178.7	0	110.7	T262 S287 Y288	T262-K282 PolarHBondContact O-N 3.03Å; K282-S287 CarbonylContact C-O 3.56Å; K282-S287 WeakPolarHBondContact CA-O 3.46Å; K282-Y288 HydrophobicContact CB-CD1 4.1Å; K282-Y288 HydrophobicContact CB-CE1 3.7Å; K282-Y288 HydrophobicContact CG-CE1 4.11Å
283	T	96	Very high	97.7	Very high	38 Å²	38	48.3 Å²	48.3	23%	0.233	28%	0.275	C	S	.	.			trans	-90.4	169.7	176.7	49.8	0	0	0	0	111.7	D285 G286 S287 V289	T283-D285 WeakPolarHBondContact CB-OD1 3.48Å; T283-D285 PolarHBondContact O-N 2.97Å; T283-D285 PolarHBondContact OG1-OD1 3.32Å; T283-G286 PolarHBondContact O-N 3.5Å; T283-S287 PolarHBondContact N-O 3.09Å; T283-S287 PolarHBondContact OG1-N 2.97Å; T283-S287 PolarHBondContact OG1-O 3.06Å; T283-S287 PolarHBondContact OG1-OG 2.9Å; T283-V289 HydrophobicContact CG2-CB 4.48Å; T283-V289 HydrophobicContact CG2-CG2 3.63Å
284	A	94.4	Very high	97.7	Very high	118 Å²	118	51.6 Å²	51.6	98%	0.975	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.3	-178.8	0	0	0	0	0	113.9	G286	A284-G286 VanDerWaalsContact C-N 3.25Å
285	D	95.9	Very high	97.7	Very high	131 Å²	131	51.6 Å²	51.6	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.1	174.4	69	-8.1	0	0	0	113.4	T283 S287	T283-D285 WeakPolarHBondContact CB-OD1 3.48Å; T283-D285 PolarHBondContact O-N 2.97Å; T283-D285 PolarHBondContact OG1-OD1 3.32Å; D285-S287 WeakPolarHBondContact OD1-CB 3.45Å; D285-S287 PolarHBondContact OD1-N 2.9Å; D285-S287 PolarHBondContact OD1-OG 3.06Å; D285-S287 PolarHBondContact OD2-OG 3.15Å
286	G	95.2	Very high	97.6	Very high	35 Å²	35	54.3 Å²	54.3	36%	0.361	31%	0.305	S	S	.	.	S	Bend	trans	87.5	-0.8	179.3	0	0	0	0	0	115.2	T283 A284	T283-G286 PolarHBondContact O-N 3.5Å; A284-G286 VanDerWaalsContact C-N 3.25Å
287	S	97.1	Very high	97.6	Very high	53 Å²	53	57 Å²	57	37%	0.371	33%	0.327	S	S	.	.			trans	-75.7	174.8	171.8	69.4	0	0	0	0	112.1	K282 T283 D285	K282-S287 CarbonylContact C-O 3.56Å; K282-S287 WeakPolarHBondContact CA-O 3.46Å; T283-S287 PolarHBondContact N-O 3.09Å; T283-S287 PolarHBondContact OG1-N 2.97Å; T283-S287 PolarHBondContact OG1-O 3.06Å; T283-S287 PolarHBondContact OG1-OG 2.9Å; D285-S287 WeakPolarHBondContact OD1-CB 3.45Å; D285-S287 PolarHBondContact OD1-N 2.9Å; D285-S287 PolarHBondContact OD1-OG 3.06Å; D285-S287 PolarHBondContact OD2-OG 3.15Å
288	Y	97.8	Very high	97.6	Very high	88 Å²	88	56 Å²	56	35%	0.345	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.1	179.2	-70.3	-91.3	0	0	0	110.2	R264 E280 R281 K282	R264-Y288 HydrophobicContact CB-CD1 4Å; R264-Y288 HydrophobicContact CB-CE1 3.68Å; R264-Y288 HydrophobicContact CG-CE1 4.4Å; R264-Y288 VanDerWaalsContact CZ-CD2 3.49Å; R264-Y288 VanDerWaalsContact CZ-CG 3.49Å; E280-Y288 HydrophobicContact CB-CD1 4.31Å; R281-Y288 WeakPolarHBondContact O-CA 3.27Å; K282-Y288 HydrophobicContact CB-CD1 4.1Å; K282-Y288 HydrophobicContact CB-CE1 3.7Å; K282-Y288 HydrophobicContact CG-CE1 4.11Å
289	V	97.9	Very high	97.6	Very high	57 Å²	57	54.3 Å²	54.3	35%	0.345	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.2	179.7	177.6	0	0	0	0	109.6	E280 R281 T283 L291	E280-V289 CarbonylContact C-O 3.57Å; E280-V289 WeakPolarHBondContact CA-O 3.34Å; E280-V289 WeakPolarHBondContact CB-O 3.29Å; R281-V289 PolarHBondContact N-O 3.34Å; R281-V289 PolarHBondContact O-N 2.82Å; T283-V289 HydrophobicContact CG2-CB 4.48Å; T283-V289 HydrophobicContact CG2-CG2 3.63Å; V289-L291 PolarHBondContact O-N 3.37Å
290	N	98.3	Very high	97.5	Very high	82 Å²	82	59.8 Å²	59.8	44%	0.439	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.7	174.6	-178.4	-16.1	0	0	0	110.8	Y292	N290-Y292 WeakPolarHBondContact OD1-CB 3.34Å; N290-Y292 PolarHBondContact OD1-N 3.27Å
291	L	98.4	Very high	97.5	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	36%	0.356	C	S	.	.	S	Bend	trans	-87.2	-11.5	-175.9	-68	179.9	0	0	0	114.8	L256 I258 L263 L279 R281 V289 E294 L295	L256-L291 HydrophobicContact CD1-CB 4.22Å; L256-L291 HydrophobicContact CD1-CD1 4.29Å; L256-L291 HydrophobicContact CD1-CD2 3.92Å; L256-L291 HydrophobicContact CD1-CG 4.38Å; I258-L291 HydrophobicContact CD1-CD1 3.68Å; I258-L291 HydrophobicContact CD1-CD2 4.2Å; L263-L291 HydrophobicContact CD2-CD1 3.41Å; L263-L291 VanDerWaalsContact CD2-CD1 3.41Å; L279-L291 HydrophobicContact CD1-CD1 4.48Å; L279-L291 HydrophobicContact CD2-CB 4.5Å; L279-L291 HydrophobicContact CG-CB 4.28Å; L279-L291 HydrophobicContact CG-CD1 4.15Å; L279-L291 PolarHBondContact O-N 2.74Å; R281-L291 HydrophobicContact CB-CD1 4.09Å; R281-L291 HydrophobicContact CB-CD2 3.74Å; R281-L291 HydrophobicContact CB-CG 4.1Å; V289-L291 PolarHBondContact O-N 3.37Å; L291-E294 PolarHBondContact O-N 3.31Å; L291-E294 VanDerWaalsContact O-N 3.14Å; L291-L295 PolarHBondContact O-N 3.13Å
292	Y	98.4	Very high	97.3	Very high	26 Å²	26	61.9 Å²	61.9	10%	0.102	38%	0.38	C	S	.	.	H	α-helix	trans	-59.3	-42.9	-176.2	-75.6	1.8	0	0	0	114.3	Y276 L279 N290 E294 L295 L296 F324 G328 Y329 F330	Y276-Y292 VanDerWaalsContact CB-OH 3.32Å; Y276-Y292 WeakPolarHBondContact CB-OH 3.36Å; Y276-Y292 PolarHBondContact O-OH 2.96Å; L279-Y292 HydrophobicContact CB-CD1 4.31Å; L279-Y292 HydrophobicContact CB-CE1 3.82Å; L279-Y292 HydrophobicContact CD2-CD1 4.34Å; L279-Y292 HydrophobicContact CD2-CE1 3.93Å; L279-Y292 HydrophobicContact CG-CE1 4.48Å; N290-Y292 WeakPolarHBondContact OD1-CB 3.34Å; N290-Y292 PolarHBondContact OD1-N 3.27Å; Y292-E294 VanDerWaalsContact C-N 3.32Å; Y292-E294 PolarHBondContact O-N 3.35Å; Y292-L295 HydrophobicContact CD1-CD1 4.18Å; Y292-L295 PolarHBondContact O-N 3.03Å; Y292-L296 WeakPolarHBondContact O-CB 3.2Å; Y292-L296 PolarHBondContact O-N 2.5Å; Y292-F324 AromaticContact CD1-CE2 3.98Å; Y292-F324 HydrophobicContact CD1-CE2 3.98Å; Y292-F324 HydrophobicContact CD1-CZ 4.27Å; Y292-F324 AromaticContact CD2-CE2 3.99Å; Y292-F324 HydrophobicContact CD2-CE2 3.99Å; Y292-F324 HydrophobicContact CE1-CE2 4.21Å; Y292-F324 HydrophobicContact CE2-CE2 4.29Å; Y292-F324 AromaticContact CG-CE2 3.81Å; Y292-F324 HydrophobicContact CG-CE2 3.81Å; Y292-F324 HydrophobicContact CG-CZ 4.14Å; Y292-G328 WeakPolarHBondContact CD2-O 3.36Å; Y292-G328 WeakPolarHBondContact CE2-O 3.48Å; Y292-Y329 AromaticContact CE2-CD1 3.98Å; Y292-Y329 HydrophobicContact CE2-CD1 3.98Å; Y292-Y329 HydrophobicContact CE2-CG 4.4Å; Y292-F330 HydrophobicContact CE1-CB 4.38Å; Y292-F330 PolarHBondContact OH-N 3.47Å
293	P	98.3	Very high	97.3	Very high	86 Å²	86	63.3 Å²	63.3	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-60.3	-40.6	174.2	-24.8	35.8	0	0	0	112.9	A297	P293-A297 WeakPolarHBondContact O-CB 3.36Å; P293-A297 PolarHBondContact O-N 3.48Å
294	E	98.1	Very high	97.3	Very high	69 Å²	69	61.8 Å²	61.8	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-44	177.9	-66.8	-178.9	-148.7	0	0	111.2	L256 R281 L291 Y292 A297 A298	L256-E294 HydrophobicContact CD1-CB 4.17Å; L256-E294 HydrophobicContact CD2-CB 4.2Å; R281-E294 IonicContact CZ-OE1 3.46Å; R281-E294 IonicContact CZ-OE2 2.84Å; R281-E294 IonicContact NH1-OE1 2.85Å; R281-E294 IonicContact NH1-OE2 3.86Å; R281-E294 PolarHBondContact NH1-OE2 2.86Å; R281-E294 IonicContact NH2-OE1 3.84Å; R281-E294 PolarHBondContact NH2-OE1 3.19Å; R281-E294 IonicContact NH2-OE2 3.63Å; R281-E294 PolarHBondContact NH2-OE2 3.25Å; L291-E294 PolarHBondContact O-N 3.31Å; L291-E294 VanDerWaalsContact O-N 3.14Å; Y292-E294 VanDerWaalsContact C-N 3.32Å; Y292-E294 PolarHBondContact O-N 3.35Å; E294-A297 PolarHBondContact O-N 3Å; E294-A298 WeakPolarHBondContact O-CB 3.33Å; E294-A298 PolarHBondContact O-N 2.71Å
295	L	98.2	Very high	97.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-44.6	176.9	-78	171.8	0	0	0	112.3	L252 L256 L279 L291 Y292 A298 Y299 F324	L252-L295 HydrophobicContact CB-CD2 4.44Å; L252-L295 HydrophobicContact CD1-CD1 4.3Å; L252-L295 HydrophobicContact CD2-CD1 4.21Å; L252-L295 HydrophobicContact CD2-CD2 3.93Å; L256-L295 HydrophobicContact CD1-CD2 3.93Å; L256-L295 HydrophobicContact CD1-CG 3.96Å; L256-L295 HydrophobicContact CD2-CD2 3.93Å; L256-L295 HydrophobicContact CD2-CG 4.38Å; L256-L295 HydrophobicContact CG-CD2 3.72Å; L256-L295 HydrophobicContact CG-CG 4.27Å; L279-L295 HydrophobicContact CD2-CD1 3.75Å; L291-L295 PolarHBondContact O-N 3.13Å; Y292-L295 HydrophobicContact CD1-CD1 4.18Å; Y292-L295 PolarHBondContact O-N 3.03Å; L295-A298 PolarHBondContact O-N 3Å; L295-Y299 WeakPolarHBondContact O-CB 3.42Å; L295-Y299 PolarHBondContact O-N 3.11Å; L295-F324 HydrophobicContact CB-CE1 3.87Å; L295-F324 HydrophobicContact CB-CZ 4.12Å
296	L	98.2	Very high	97.2	Very high	57 Å²	57	53.4 Å²	53.4	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-45	179.1	-178.2	60.9	0	0	0	110.8	Y292 A298 Y299 E300 F324 K325	Y292-L296 WeakPolarHBondContact O-CB 3.2Å; Y292-L296 PolarHBondContact O-N 2.5Å; L296-A298 VanDerWaalsContact C-N 3.35Å; L296-A298 PolarHBondContact O-N 3.19Å; L296-Y299 PolarHBondContact O-N 3.2Å; L296-E300 HydrophobicContact CD1-CG 4.22Å; L296-E300 WeakPolarHBondContact O-CG 3.35Å; L296-E300 PolarHBondContact O-N 2.85Å; L296-F324 HydrophobicContact CB-CE1 3.99Å; L296-F324 HydrophobicContact CB-CZ 4.23Å; L296-F324 HydrophobicContact CD1-CE1 4.49Å; L296-K325 HydrophobicContact CD1-CB 4.16Å; L296-K325 HydrophobicContact CD1-CD 4.35Å; L296-K325 HydrophobicContact CD1-CG 4Å
297	A	98.3	Very high	96.8	Very high	57 Å²	57	56.5 Å²	56.5	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-42	176.6	0	0	0	0	0	112.2	P293 E294 Y299 E300 A301	P293-A297 WeakPolarHBondContact O-CB 3.36Å; P293-A297 PolarHBondContact O-N 3.48Å; E294-A297 PolarHBondContact O-N 3Å; A297-Y299 PolarHBondContact O-N 2.83Å; A297-E300 PolarHBondContact O-N 2.69Å; A297-A301 VanDerWaalsContact O-CB 3.25Å; A297-A301 WeakPolarHBondContact O-CB 3.45Å; A297-A301 PolarHBondContact O-N 2.94Å
298	A	98.2	Very high	96	Very high	6 Å²	6	55.8 Å²	55.8	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-40.7	176.6	0	0	0	0	0	112.1	L256 E294 L295 L296 G302 Q303 A304	L256-A298 HydrophobicContact CD2-CB 4.05Å; E294-A298 WeakPolarHBondContact O-CB 3.33Å; E294-A298 PolarHBondContact O-N 2.71Å; L295-A298 PolarHBondContact O-N 3Å; L296-A298 VanDerWaalsContact C-N 3.35Å; L296-A298 PolarHBondContact O-N 3.19Å; A298-G302 PolarHBondContact O-N 2.94Å; A298-Q303 HydrophobicContact CB-CB 4.36Å; A298-Q303 WeakPolarHBondContact O-CB 3.28Å; A298-Q303 PolarHBondContact O-N 3.07Å; A298-A304 HydrophobicContact CB-CB 3.97Å; A298-A304 PolarHBondContact O-N 2.64Å
299	Y	97.8	Very high	94.8	Very high	39 Å²	39	55.1 Å²	55.1	15%	0.153	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-46.4	176.3	-179	-130.7	0	0	0	112.1	L295 L296 A297 A301 G302 A304 Y321 K325	L295-Y299 WeakPolarHBondContact O-CB 3.42Å; L295-Y299 PolarHBondContact O-N 3.11Å; L296-Y299 PolarHBondContact O-N 3.2Å; A297-Y299 PolarHBondContact O-N 2.83Å; Y299-A301 VanDerWaalsContact C-N 3.27Å; Y299-A301 PolarHBondContact O-N 2.78Å; Y299-G302 PolarHBondContact O-N 3.12Å; Y299-A304 WeakPolarHBondContact CD2-O 3.36Å; Y299-Y321 HydrophobicContact CD1-CD1 4.15Å; Y299-Y321 AromaticContact CD2-CD1 3.71Å; Y299-Y321 HydrophobicContact CD2-CD1 3.71Å; Y299-Y321 AromaticContact CD2-CG 3.88Å; Y299-Y321 HydrophobicContact CD2-CG 3.88Å; Y299-Y321 HydrophobicContact CE2-CD1 4.43Å; Y299-Y321 HydrophobicContact CE2-CG 4.19Å; Y299-Y321 AromaticContact CG-CD1 3.56Å; Y299-Y321 HydrophobicContact CG-CD1 3.56Å; Y299-Y321 HydrophobicContact CG-CE1 4.4Å; Y299-Y321 HydrophobicContact CG-CG 4.13Å; Y299-K325 HydrophobicContact CE1-CB 4.47Å; Y299-K325 HydrophobicContact CE1-CD 4.3Å
300	E	97.1	Very high	93.3	Very high	118 Å²	118	59.1 Å²	59.1	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-66.7	-29.1	179.2	-68.8	-171.6	146.1	0	0	113	L296 A297 G302 K325	L296-E300 HydrophobicContact CD1-CG 4.22Å; L296-E300 WeakPolarHBondContact O-CG 3.35Å; L296-E300 PolarHBondContact O-N 2.85Å; A297-E300 PolarHBondContact O-N 2.69Å; E300-G302 VanDerWaalsContact C-N 3.29Å; E300-K325 WeakPolarHBondContact OE1-CE 3.46Å; E300-K325 IonicContact OE1-NZ 2.76Å; E300-K325 PolarHBondContact OE1-NZ 3.4Å
301	A	97.2	Very high	91.8	Very high	66 Å²	66	57.9 Å²	57.9	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.3	173.1	0	0	0	0	0	113.9	A297 Y299 Q303	A297-A301 VanDerWaalsContact O-CB 3.25Å; A297-A301 WeakPolarHBondContact O-CB 3.45Å; A297-A301 PolarHBondContact O-N 2.94Å; Y299-A301 VanDerWaalsContact C-N 3.27Å; Y299-A301 PolarHBondContact O-N 2.78Å; A301-Q303 VanDerWaalsContact C-N 3.28Å; A301-Q303 HydrophobicContact CB-CG 4.06Å; A301-Q303 PolarHBondContact O-N 3.45Å
302	G	95.5	Very high	90.7	Very high	67 Å²	67	58.5 Å²	58.5	69%	0.691	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	21.3	-177.3	0	0	0	0	0	114.4	A298 Y299 E300	A298-G302 PolarHBondContact O-N 2.94Å; Y299-G302 PolarHBondContact O-N 3.12Å; E300-G302 VanDerWaalsContact C-N 3.29Å
303	Q	96.1	Very high	90	Very high	133 Å²	133	62.7 Å²	62.7	62%	0.621	38%	0.378	S	S	*	.			trans	-89.2	-25.2	177.7	-62.3	176.9	-4.6	0	0	112.6	A298 A301	A298-Q303 HydrophobicContact CB-CB 4.36Å; A298-Q303 WeakPolarHBondContact O-CB 3.28Å; A298-Q303 PolarHBondContact O-N 3.07Å; A301-Q303 VanDerWaalsContact C-N 3.28Å; A301-Q303 HydrophobicContact CB-CG 4.06Å; A301-Q303 PolarHBondContact O-N 3.45Å
304	A	96.4	Very high	89.5	Confident	6 Å²	6	62.3 Å²	62.3	5%	0.05	37%	0.365	C	S	.	.			trans	-126.8	158.2	173.1	0	0	0	0	0	109.6	D255 A298 Y299 Y321	D255-A304 HydrophobicContact CB-CB 3.97Å; A298-A304 HydrophobicContact CB-CB 3.97Å; A298-A304 PolarHBondContact O-N 2.64Å; Y299-A304 WeakPolarHBondContact CD2-O 3.36Å; A304-Y321 HydrophobicContact CB-CE1 4.01Å
305	P	95.4	Very high	89	Confident	29 Å²	29	59.2 Å²	59.2	19%	0.188	35%	0.351	C	S	.	.	S	Bend	cis	-65.5	147.3	-13.4	26.3	-32.7	0	0	0	111.7	D255 Q316 N317 Y321	D255-P305 WeakPolarHBondContact OD2-CA 3.47Å; P305-Q316 WeakPolarHBondContact CG-O 3.37Å; P305-N317 HydrophobicContact CB-CB 3.83Å; P305-N317 HydrophobicContact CG-CB 4.1Å; P305-Y321 HydrophobicContact CB-CD2 3.79Å; P305-Y321 HydrophobicContact CB-CE2 3.58Å; P305-Y321 HydrophobicContact CG-CD2 3.93Å; P305-Y321 HydrophobicContact CG-CE2 4.22Å
306	K	93.8	Very high	88.6	Confident	45 Å²	45	62.7 Å²	62.7	20%	0.196	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-76.3	163.4	168.5	-64	176.1	-177.2	158.6	0	109.8	R254 D255 N257	R254-K306 PolarHBondContact O-NZ 3.27Å; D255-K306 WeakPolarHBondContact O-CE 3.45Å; D255-K306 PolarHBondContact O-NZ 2.95Å; D255-K306 WeakPolarHBondContact OD1-CB 3.29Å; D255-K306 WeakPolarHBondContact OD1-CG 3.27Å; D255-K306 PolarHBondContact OD1-N 2.93Å; N257-K306 PolarHBondContact ND2-NZ 3.39Å; N257-K306 PolarHBondContact OD1-NZ 3.15Å
307	P	86.9	Confident	88.4	Confident	99 Å²	99	60.6 Å²	60.6	64%	0.643	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-53	145.9	177.2	-27.9	35.6	0	0	0	112.8	R254 I309	R254-P307 PolarHBondContact NH2-O 3.36Å; P307-I309 PolarHBondContact O-N 2.55Å
308	N	79.5	Confident	88.2	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.203	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-56.7	134.7	-176.8	-172.7	-71.2	0	0	0	112.2	H310 N312	N308-H310 WeakPolarHBondContact OD1-CA 3.45Å; N308-H310 WeakPolarHBondContact OD1-CB 3.48Å; N308-H310 PolarHBondContact OD1-N 2.81Å; N308-N312 VanDerWaalsContact CB-O 3.23Å; N308-N312 WeakPolarHBondContact CB-O 3.36Å
309	I	71.7	Confident	88.2	Confident	74 Å²	74	59 Å²	59	38%	0.379	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-26.7	-177.6	57	170.6	0	0	0	113.8	E251 P307 G311	E251-I309 HydrophobicContact CG-CD1 4.28Å; P307-I309 PolarHBondContact O-N 2.55Å; I309-G311 PolarHBondContact O-N 3.41Å
310	H	68	Low	88.1	Confident	142 Å²	142	57.4 Å²	57.4	66%	0.657	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	12.6	-179.3	-57.5	-66.3	0	0	0	112.2	N308 N312	N308-H310 WeakPolarHBondContact OD1-CA 3.45Å; N308-H310 WeakPolarHBondContact OD1-CB 3.48Å; N308-H310 PolarHBondContact OD1-N 2.81Å; H310-N312 PolarHBondContact O-N 3.02Å
311	G	65.8	Low	88.2	Confident	55 Å²	55	51.8 Å²	51.8	57%	0.567	31%	0.306	S	S	*	.	S	Bend	trans	74.8	2.3	178	0	0	0	0	0	114.2	I309 T313	I309-G311 PolarHBondContact O-N 3.41Å; G311-T313 PolarHBondContact O-N 2.85Å
312	N	75.9	Confident	88.2	Confident	15 Å²	15	49.8 Å²	49.8	8%	0.08	29%	0.285	C	S	.	.			trans	-75.4	91.3	175.2	-170	-8	0	0	0	110.7	N308 H310 R314 E363 R367	N308-N312 VanDerWaalsContact CB-O 3.23Å; N308-N312 WeakPolarHBondContact CB-O 3.36Å; H310-N312 PolarHBondContact O-N 3.02Å; N312-R314 PolarHBondContact O-N 3.02Å; N312-R314 VanDerWaalsContact OD1-CB 3.3Å; N312-R314 WeakPolarHBondContact OD1-CB 3.25Å; N312-R314 PolarHBondContact OD1-N 3.06Å; N312-E363 PolarHBondContact ND2-OE1 2.9Å; N312-R367 PolarHBondContact ND2-NH2 3.21Å
313	T	83.5	Confident	88.3	Confident	114 Å²	114	47.1 Å²	47.1	70%	0.699	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.3	178.9	57.6	0	0	0	0	113.5	G311	G311-T313 PolarHBondContact O-N 2.85Å
314	R	88.7	Confident	88.4	Confident	79 Å²	79	41.1 Å²	41.1	30%	0.298	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-26.7	-177.9	-58.3	178.8	-70.2	-97.9	3.2	112.6	N312 P360 E363 E370	N312-R314 PolarHBondContact O-N 3.02Å; N312-R314 VanDerWaalsContact OD1-CB 3.3Å; N312-R314 WeakPolarHBondContact OD1-CB 3.25Å; N312-R314 PolarHBondContact OD1-N 3.06Å; R314-P360 HydrophobicContact CB-CB 4.11Å; R314-E363 IonicContact CZ-OE1 3Å; R314-E363 IonicContact CZ-OE2 2.72Å; R314-E363 IonicContact NE-OE1 3.58Å; R314-E363 PolarHBondContact NE-OE1 2.97Å; R314-E363 IonicContact NE-OE2 3.93Å; R314-E363 PolarHBondContact NE-OE2 2.86Å; R314-E363 IonicContact NH2-OE1 3.6Å; R314-E363 PolarHBondContact NH2-OE1 3.4Å; R314-E363 IonicContact NH2-OE2 3.11Å; R314-E370 IonicContact CZ-OE1 2.87Å; R314-E370 IonicContact CZ-OE2 2.69Å; R314-E370 IonicContact NH1-OE1 2.69Å; R314-E370 PolarHBondContact NH1-OE1 3.26Å; R314-E370 IonicContact NH1-OE2 3.59Å; R314-E370 PolarHBondContact NH1-OE2 2.95Å; R314-E370 IonicContact NH2-OE1 3.59Å; R314-E370 IonicContact NH2-OE2 3.7Å; R314-E370 PolarHBondContact NH2-OE2 3.11Å
315	C	87.5	Confident	88.5	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.02	24%	0.243	C	C	.	.			trans	-118.7	120	177.2	-166.8	0	0	0	0	111.9	S335 E336 P360	C315-S335 VanDerWaalsContact SG-CB 3.58Å; C315-E336 PolarHBondContact SG-OE2 2.92Å; C315-P360 HydrophobicContact CB-CG 4.03Å
316	Q	89	Confident	88.6	Confident	75 Å²	75	50.5 Å²	50.5	35%	0.35	26%	0.264	S	S	.	.			trans	-107.5	24	-175.8	-59.8	-171.8	0.9	0	0	113.5	P305 I318 K358	P305-Q316 WeakPolarHBondContact CG-O 3.37Å; Q316-I318 HydrophobicContact CB-CD1 4.32Å; Q316-I318 HydrophobicContact CB-CG1 4.13Å; Q316-I318 PolarHBondContact O-N 2.9Å; Q316-I318 VanDerWaalsContact O-N 3.13Å; Q316-K358 HydrophobicContact CB-CD 3.92Å; Q316-K358 VanDerWaalsContact CD-CE 3.47Å; Q316-K358 HydrophobicContact CG-CD 3.65Å
317	N	93.1	Very high	88.8	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.064	26%	0.262	C	S	.	.	S	Bend	trans	61.5	19.9	175.3	-159	18.4	0	0	0	116.6	P305 R320 Y321 S335	P305-N317 HydrophobicContact CB-CB 3.83Å; P305-N317 HydrophobicContact CG-CB 4.1Å; N317-R320 PolarHBondContact ND2-NH2 3.05Å; N317-R320 VanDerWaalsContact ND2-NH2 3.12Å; N317-R320 WeakPolarHBondContact OD1-CB 3.2Å; N317-R320 PolarHBondContact OD1-NE 2.91Å; N317-R320 PolarHBondContact OD1-NH2 3.25Å; N317-Y321 WeakPolarHBondContact O-CD2 3.19Å; N317-S335 WeakPolarHBondContact CA-OG 3.41Å; N317-S335 PolarHBondContact O-OG 3.33Å; N317-S335 PolarHBondContact OD1-OG 2.65Å
318	I	95.4	Very high	89.3	Confident	29 Å²	29	46.8 Å²	46.8	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-73.7	-37.1	-172.1	-54.5	178.9	0	0	0	111.5	Q316 R320 Y321 E322 Y357 K358	Q316-I318 HydrophobicContact CB-CD1 4.32Å; Q316-I318 HydrophobicContact CB-CG1 4.13Å; Q316-I318 PolarHBondContact O-N 2.9Å; Q316-I318 VanDerWaalsContact O-N 3.13Å; I318-R320 PolarHBondContact O-N 2.99Å; I318-Y321 PolarHBondContact O-N 3.5Å; I318-E322 PolarHBondContact O-N 3.18Å; I318-Y357 HydrophobicContact CG2-CD1 3.85Å; I318-Y357 HydrophobicContact CG2-CE1 4.47Å; I318-K358 HydrophobicContact CD1-CB 4.44Å; I318-K358 HydrophobicContact CD1-CD 3.73Å; I318-K358 HydrophobicContact CD1-CG 4.04Å
319	V	97.2	Very high	90.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-50.2	-179	169.1	0	0	0	0	110.9	Y321 E322 M323 S335 F338 A339 F345 Y357 V359	V319-Y321 VanDerWaalsContact C-N 3.33Å; V319-Y321 PolarHBondContact O-N 3.27Å; V319-E322 PolarHBondContact O-N 3.4Å; V319-M323 VanDerWaalsContact O-CG 3.27Å; V319-M323 WeakPolarHBondContact O-CG 3.5Å; V319-M323 PolarHBondContact O-N 3.45Å; V319-S335 PolarHBondContact N-OG 2.84Å; V319-F338 HydrophobicContact CG1-CB 4.44Å; V319-F338 HydrophobicContact CG1-CD1 3.86Å; V319-A339 HydrophobicContact CG1-CB 4.38Å; V319-A339 HydrophobicContact CG2-CB 4.25Å; V319-F345 HydrophobicContact CB-CE1 4.44Å; V319-F345 HydrophobicContact CB-CZ 4.46Å; V319-F345 HydrophobicContact CG1-CD1 4.37Å; V319-F345 HydrophobicContact CG1-CD2 3.95Å; V319-F345 HydrophobicContact CG1-CE1 4.05Å; V319-F345 HydrophobicContact CG1-CE2 3.58Å; V319-F345 HydrophobicContact CG1-CG 4.33Å; V319-F345 HydrophobicContact CG1-CZ 3.64Å; V319-F345 HydrophobicContact CG2-CD1 4.02Å; V319-F345 HydrophobicContact CG2-CE1 4.16Å; V319-F345 HydrophobicContact CG2-CG 4.32Å; V319-Y357 HydrophobicContact CG2-CG 4.48Å; V319-V359 HydrophobicContact CG2-CG2 4.05Å
320	R	97.3	Very high	91.5	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-40.9	178.8	-73.3	-167.7	-87.1	-175.2	14.2	112.5	T248 E251 N317 I318 M323 F324 F330 V331 T332 E333 S335	T248-R320 PolarHBondContact OG1-NH1 2.91Å; E251-R320 IonicContact OE2-CZ 3.82Å; E251-R320 IonicContact OE2-NH1 3.38Å; E251-R320 IonicContact OE2-NH2 3.53Å; E251-R320 PolarHBondContact OE2-NH2 3.42Å; N317-R320 PolarHBondContact ND2-NH2 3.05Å; N317-R320 VanDerWaalsContact ND2-NH2 3.12Å; N317-R320 WeakPolarHBondContact OD1-CB 3.2Å; N317-R320 PolarHBondContact OD1-NE 2.91Å; N317-R320 PolarHBondContact OD1-NH2 3.25Å; I318-R320 PolarHBondContact O-N 2.99Å; R320-M323 PolarHBondContact O-N 2.68Å; R320-F324 WeakPolarHBondContact O-CB 3.33Å; R320-F324 PolarHBondContact O-N 2.93Å; R320-F330 HydrophobicContact CB-CE1 3.99Å; R320-F330 HydrophobicContact CB-CZ 3.77Å; R320-V331 HydrophobicContact CB-CG1 4.17Å; R320-V331 WeakPolarHBondContact CD-O 3.46Å; R320-V331 HydrophobicContact CG-CG1 3.58Å; R320-T332 PolarHBondContact NH1-O 3.42Å; R320-T332 VanDerWaalsContact NH1-O 3.11Å; R320-E333 WeakPolarHBondContact CD-O 3.31Å; R320-E333 WeakPolarHBondContact CG-O 3.15Å; R320-S335 PolarHBondContact N-OG 2.8Å; R320-S335 VanDerWaalsContact N-OG 3.1Å
321	Y	97.8	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-39.4	178	-92.1	-86.5	0	0	0	113	L252 D255 Y299 A304 P305 N317 I318 V319 M323 F324 K325 F330	L252-Y321 HydrophobicContact CD2-CE2 4.45Å; D255-Y321 PolarHBondContact OD2-OH 3.25Å; Y299-Y321 HydrophobicContact CD1-CD1 4.15Å; Y299-Y321 AromaticContact CD2-CD1 3.71Å; Y299-Y321 HydrophobicContact CD2-CD1 3.71Å; Y299-Y321 AromaticContact CD2-CG 3.88Å; Y299-Y321 HydrophobicContact CD2-CG 3.88Å; Y299-Y321 HydrophobicContact CE2-CD1 4.43Å; Y299-Y321 HydrophobicContact CE2-CG 4.19Å; Y299-Y321 AromaticContact CG-CD1 3.56Å; Y299-Y321 HydrophobicContact CG-CD1 3.56Å; Y299-Y321 HydrophobicContact CG-CE1 4.4Å; Y299-Y321 HydrophobicContact CG-CG 4.13Å; A304-Y321 HydrophobicContact CB-CE1 4.01Å; P305-Y321 HydrophobicContact CB-CD2 3.79Å; P305-Y321 HydrophobicContact CB-CE2 3.58Å; P305-Y321 HydrophobicContact CG-CD2 3.93Å; P305-Y321 HydrophobicContact CG-CE2 4.22Å; N317-Y321 WeakPolarHBondContact O-CD2 3.19Å; I318-Y321 PolarHBondContact O-N 3.5Å; V319-Y321 VanDerWaalsContact C-N 3.33Å; V319-Y321 PolarHBondContact O-N 3.27Å; Y321-M323 VanDerWaalsContact C-N 3.32Å; Y321-F324 HydrophobicContact CD1-CD1 4.4Å; Y321-F324 PolarHBondContact O-N 3.43Å; Y321-K325 WeakPolarHBondContact O-CB 3.23Å; Y321-K325 PolarHBondContact O-N 2.82Å; Y321-F330 HydrophobicContact CD1-CE2 4.07Å; Y321-F330 AromaticContact CD2-CE2 3.82Å; Y321-F330 HydrophobicContact CD2-CE2 3.82Å; Y321-F330 AromaticContact CD2-CZ 3.91Å; Y321-F330 HydrophobicContact CD2-CZ 3.91Å; Y321-F330 HydrophobicContact CE1-CE2 4.06Å; Y321-F330 AromaticContact CE2-CE2 3.78Å; Y321-F330 HydrophobicContact CE2-CE2 3.78Å; Y321-F330 AromaticContact CE2-CZ 3.82Å; Y321-F330 HydrophobicContact CE2-CZ 3.82Å; Y321-F330 AromaticContact CG-CE2 3.97Å; Y321-F330 HydrophobicContact CG-CE2 3.97Å; Y321-F330 HydrophobicContact CG-CZ 4.48Å; Y321-F330 AromaticContact CZ-CE2 3.91Å
322	E	97.7	Very high	94.5	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-45.1	171.9	-178.1	74	-130.3	0	0	110	I318 V319 K325 K326 Y357	I318-E322 PolarHBondContact O-N 3.18Å; V319-E322 PolarHBondContact O-N 3.4Å; E322-K325 WeakPolarHBondContact O-CB 3.33Å; E322-K325 PolarHBondContact O-N 2.95Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 3.34Å; E322-K326 VanDerWaalsContact O-N 3.07Å; E322-K326 WeakPolarHBondContact OE1-CE 3.36Å; E322-K326 IonicContact OE1-NZ 3.61Å; E322-Y357 HydrophobicContact CB-CD1 4.47Å; E322-Y357 HydrophobicContact CB-CE1 3.82Å; E322-Y357 HydrophobicContact CG-CE1 3.67Å; E322-Y357 WeakPolarHBondContact OE2-CE1 3.2Å; E322-Y357 PolarHBondContact OE2-OH 3.25Å
323	M	97.9	Very high	95.4	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-39.5	179.2	-67.6	-55.8	-46.9	0	0	112.8	V319 R320 Y321 K325 K326 L327 F338 W344 F345	V319-M323 VanDerWaalsContact O-CG 3.27Å; V319-M323 WeakPolarHBondContact O-CG 3.5Å; V319-M323 PolarHBondContact O-N 3.45Å; R320-M323 PolarHBondContact O-N 2.68Å; Y321-M323 VanDerWaalsContact C-N 3.32Å; M323-K325 VanDerWaalsContact C-N 3.32Å; M323-K325 PolarHBondContact O-N 2.68Å; M323-K326 PolarHBondContact O-N 3.07Å; M323-K326 VanDerWaalsContact O-N 3.12Å; M323-L327 HydrophobicContact CB-CD1 4.43Å; M323-L327 HydrophobicContact CE-CD1 3.45Å; M323-L327 VanDerWaalsContact CE-CD1 3.45Å; M323-L327 HydrophobicContact CE-CD2 4.14Å; M323-L327 HydrophobicContact CE-CG 3.68Å; M323-L327 VanDerWaalsContact O-CB 3.31Å; M323-L327 WeakPolarHBondContact O-CB 3.42Å; M323-L327 WeakPolarHBondContact O-CG 3.5Å; M323-L327 PolarHBondContact O-N 2.83Å; M323-F338 HydrophobicContact CB-CE1 4.23Å; M323-F338 HydrophobicContact CE-CE1 4.29Å; M323-F338 HydrophobicContact CE-CZ 4.46Å; M323-F338 HydrophobicContact CG-CD1 4.1Å; M323-F338 HydrophobicContact CG-CE1 3.52Å; M323-F338 HydrophobicContact CG-CZ 4.26Å; M323-F338 HydrophobicContact SD-CE1 4.23Å; M323-W344 HydrophobicContact CE-CE3 3.79Å; M323-W344 HydrophobicContact CE-CH2 3.91Å; M323-W344 HydrophobicContact CE-CZ3 3.2Å; M323-W344 HydrophobicContact SD-CE3 3.7Å; M323-W344 HydrophobicContact SD-CZ3 3.77Å; M323-F345 HydrophobicContact CG-CE2 4.13Å; M323-F345 HydrophobicContact CG-CZ 3.81Å; M323-F345 HydrophobicContact SD-CE2 3.94Å; M323-F345 HydrophobicContact SD-CZ 3.61Å
324	F	98.4	Very high	95.9	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-55.4	-48.2	170.5	163	-123.2	0	0	0	111.2	Y292 L295 L296 R320 Y321 K326 G328 F330	Y292-F324 AromaticContact CD1-CE2 3.98Å; Y292-F324 HydrophobicContact CD1-CE2 3.98Å; Y292-F324 HydrophobicContact CD1-CZ 4.27Å; Y292-F324 AromaticContact CD2-CE2 3.99Å; Y292-F324 HydrophobicContact CD2-CE2 3.99Å; Y292-F324 HydrophobicContact CE1-CE2 4.21Å; Y292-F324 HydrophobicContact CE2-CE2 4.29Å; Y292-F324 AromaticContact CG-CE2 3.81Å; Y292-F324 HydrophobicContact CG-CE2 3.81Å; Y292-F324 HydrophobicContact CG-CZ 4.14Å; L295-F324 HydrophobicContact CB-CE1 3.87Å; L295-F324 HydrophobicContact CB-CZ 4.12Å; L296-F324 HydrophobicContact CB-CE1 3.99Å; L296-F324 HydrophobicContact CB-CZ 4.23Å; L296-F324 HydrophobicContact CD1-CE1 4.49Å; R320-F324 WeakPolarHBondContact O-CB 3.33Å; R320-F324 PolarHBondContact O-N 2.93Å; Y321-F324 HydrophobicContact CD1-CD1 4.4Å; Y321-F324 PolarHBondContact O-N 3.43Å; F324-K326 PolarHBondContact O-N 3.14Å; F324-G328 WeakPolarHBondContact O-CA 3.16Å; F324-G328 PolarHBondContact O-N 3.46Å; F324-F330 HydrophobicContact CB-CB 4.48Å; F324-F330 HydrophobicContact CB-CD2 3.57Å; F324-F330 HydrophobicContact CB-CE2 4.13Å; F324-F330 HydrophobicContact CB-CG 4.31Å; F324-F330 HydrophobicContact CD1-CD2 4.01Å; F324-F330 HydrophobicContact CD1-CE2 4.49Å; F324-F330 HydrophobicContact CD2-CB 4.22Å; F324-F330 HydrophobicContact CD2-CD2 4.22Å; F324-F330 HydrophobicContact CG-CB 4.45Å; F324-F330 AromaticContact CG-CD2 3.67Å; F324-F330 HydrophobicContact CG-CD2 3.67Å; F324-F330 HydrophobicContact CG-CE2 4.43Å
325	K	98.2	Very high	96.2	Very high	90 Å²	90	26.4 Å²	26.4	39%	0.391	13%	0.131	S	C	.	.	H	α-helix	trans	-59.3	-33.7	177	179.4	172.4	-173.3	156.7	0	112.9	L296 Y299 E300 Y321 E322 M323	L296-K325 HydrophobicContact CD1-CB 4.16Å; L296-K325 HydrophobicContact CD1-CD 4.35Å; L296-K325 HydrophobicContact CD1-CG 4Å; Y299-K325 HydrophobicContact CE1-CB 4.47Å; Y299-K325 HydrophobicContact CE1-CD 4.3Å; E300-K325 WeakPolarHBondContact OE1-CE 3.46Å; E300-K325 IonicContact OE1-NZ 2.76Å; E300-K325 PolarHBondContact OE1-NZ 3.4Å; Y321-K325 WeakPolarHBondContact O-CB 3.23Å; Y321-K325 PolarHBondContact O-N 2.82Å; E322-K325 WeakPolarHBondContact O-CB 3.33Å; E322-K325 PolarHBondContact O-N 2.95Å; M323-K325 VanDerWaalsContact C-N 3.32Å; M323-K325 PolarHBondContact O-N 2.68Å
326	K	97.7	Very high	96.6	Very high	141 Å²	141	26.7 Å²	26.7	61%	0.613	13%	0.132	S	C	*	.	H	α-helix	trans	-88.1	-36	-178	-62.2	-58	175.8	-178.6	0	114.2	E322 M323 F324	E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 3.34Å; E322-K326 VanDerWaalsContact O-N 3.07Å; E322-K326 WeakPolarHBondContact OE1-CE 3.36Å; E322-K326 IonicContact OE1-NZ 3.61Å; M323-K326 PolarHBondContact O-N 3.07Å; M323-K326 VanDerWaalsContact O-N 3.12Å; F324-K326 PolarHBondContact O-N 3.14Å
327	L	97.9	Very high	96.9	Very high	29 Å²	29	23.8 Å²	23.8	15%	0.152	12%	0.119	C	C	.	.	H	α-helix	trans	-95.6	-19.8	-174.7	-60.8	177	0	0	0	112.9	F275 M323 Y329 H453 L454 L457	F275-L327 HydrophobicContact CE1-CD1 3.79Å; F275-L327 HydrophobicContact CZ-CD1 4.02Å; M323-L327 HydrophobicContact CB-CD1 4.43Å; M323-L327 HydrophobicContact CE-CD1 3.45Å; M323-L327 VanDerWaalsContact CE-CD1 3.45Å; M323-L327 HydrophobicContact CE-CD2 4.14Å; M323-L327 HydrophobicContact CE-CG 3.68Å; M323-L327 VanDerWaalsContact O-CB 3.31Å; M323-L327 WeakPolarHBondContact O-CB 3.42Å; M323-L327 WeakPolarHBondContact O-CG 3.5Å; M323-L327 PolarHBondContact O-N 2.83Å; L327-Y329 VanDerWaalsContact C-N 3.26Å; L327-Y329 WeakPolarHBondContact O-CD2 3.46Å; L327-Y329 PolarHBondContact O-N 3.29Å; L327-H453 PolarHBondContact O-NE2 3.4Å; L327-L454 HydrophobicContact CB-CD2 4.11Å; L327-L454 HydrophobicContact CD1-CD2 4.23Å; L327-L457 HydrophobicContact CD1-CD2 3.93Å
328	G	97.9	Very high	97.1	Very high	37 Å²	37	23.2 Å²	23.2	38%	0.381	12%	0.116	S	C	.	.	S	Bend	trans	81	-0.2	-176.2	0	0	0	0	0	114.6	Y292 F324	Y292-G328 WeakPolarHBondContact CD2-O 3.36Å; Y292-G328 WeakPolarHBondContact CE2-O 3.48Å; F324-G328 WeakPolarHBondContact O-CA 3.16Å; F324-G328 PolarHBondContact O-N 3.46Å
329	Y	98.6	Very high	97.1	Very high	68 Å²	68	21.9 Å²	21.9	27%	0.267	11%	0.108	S	C	.	.	S	Bend	trans	-135.5	138.4	-179	-65.6	-94.2	0	0	0	110.2	Y276 L277 Y292 L327 P451 L454	Y276-Y329 WeakPolarHBondContact O-CD1 3.47Å; L277-Y329 HydrophobicContact CD2-CD1 4.47Å; Y292-Y329 AromaticContact CE2-CD1 3.98Å; Y292-Y329 HydrophobicContact CE2-CD1 3.98Å; Y292-Y329 HydrophobicContact CE2-CG 4.4Å; L327-Y329 VanDerWaalsContact C-N 3.26Å; L327-Y329 WeakPolarHBondContact O-CD2 3.46Å; L327-Y329 PolarHBondContact O-N 3.29Å; Y329-P451 HydrophobicContact CE2-CB 4.48Å; Y329-P451 HydrophobicContact CE2-CG 4.02Å; Y329-L454 HydrophobicContact CD1-CD1 4.36Å; Y329-L454 HydrophobicContact CD2-CD1 3.74Å; Y329-L454 HydrophobicContact CD2-CD2 4.48Å; Y329-L454 HydrophobicContact CD2-CG 4.42Å; Y329-L454 HydrophobicContact CE2-CD1 4.32Å; Y329-L454 HydrophobicContact CG-CD1 3.76Å
330	F	98.6	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.			trans	-82.3	133.8	179.7	-153.2	-82.7	0	0	0	110.1	T248 L252 F275 Y276 Y292 R320 Y321 F324	T248-F330 HydrophobicContact CG2-CD1 3.78Å; T248-F330 HydrophobicContact CG2-CE1 3.64Å; L252-F330 HydrophobicContact CD1-CB 4.42Å; L252-F330 HydrophobicContact CD1-CD1 3.86Å; L252-F330 HydrophobicContact CD1-CD2 4.44Å; L252-F330 HydrophobicContact CD1-CE1 4.24Å; L252-F330 HydrophobicContact CD1-CG 3.98Å; L252-F330 HydrophobicContact CD2-CD1 4.2Å; L252-F330 HydrophobicContact CD2-CD2 3.98Å; L252-F330 HydrophobicContact CD2-CE1 3.86Å; L252-F330 HydrophobicContact CD2-CE2 3.66Å; L252-F330 HydrophobicContact CD2-CG 4.26Å; L252-F330 HydrophobicContact CD2-CZ 3.61Å; L252-F330 HydrophobicContact CG-CD1 4.45Å; L252-F330 HydrophobicContact CG-CE1 4.34Å; F275-F330 VanDerWaalsContact CA-O 3.3Å; F275-F330 WeakPolarHBondContact CA-O 3.18Å; Y276-F330 HydrophobicContact CD2-CB 4.26Å; Y276-F330 WeakPolarHBondContact CD2-O 3.35Å; Y276-F330 PolarHBondContact N-O 2.81Å; Y292-F330 HydrophobicContact CE1-CB 4.38Å; Y292-F330 PolarHBondContact OH-N 3.47Å; R320-F330 HydrophobicContact CB-CE1 3.99Å; R320-F330 HydrophobicContact CB-CZ 3.77Å; Y321-F330 HydrophobicContact CD1-CE2 4.07Å; Y321-F330 AromaticContact CD2-CE2 3.82Å; Y321-F330 HydrophobicContact CD2-CE2 3.82Å; Y321-F330 AromaticContact CD2-CZ 3.91Å; Y321-F330 HydrophobicContact CD2-CZ 3.91Å; Y321-F330 HydrophobicContact CE1-CE2 4.06Å; Y321-F330 AromaticContact CE2-CE2 3.78Å; Y321-F330 HydrophobicContact CE2-CE2 3.78Å; Y321-F330 AromaticContact CE2-CZ 3.82Å; Y321-F330 HydrophobicContact CE2-CZ 3.82Å; Y321-F330 AromaticContact CG-CE2 3.97Å; Y321-F330 HydrophobicContact CG-CE2 3.97Å; Y321-F330 HydrophobicContact CG-CZ 4.48Å; Y321-F330 AromaticContact CZ-CE2 3.91Å; F324-F330 HydrophobicContact CB-CB 4.48Å; F324-F330 HydrophobicContact CB-CD2 3.57Å; F324-F330 HydrophobicContact CB-CE2 4.13Å; F324-F330 HydrophobicContact CB-CG 4.31Å; F324-F330 HydrophobicContact CD1-CD2 4.01Å; F324-F330 HydrophobicContact CD1-CE2 4.49Å; F324-F330 HydrophobicContact CD2-CB 4.22Å; F324-F330 HydrophobicContact CD2-CD2 4.22Å; F324-F330 HydrophobicContact CG-CB 4.45Å; F324-F330 AromaticContact CG-CD2 3.67Å; F324-F330 HydrophobicContact CG-CD2 3.67Å; F324-F330 HydrophobicContact CG-CE2 4.43Å
331	V	98.3	Very high	97	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-90.6	144.9	177.6	68.8	0	0	0	0	111.1	A274 F275 R320 F338	A274-V331 CarbonylContact O-C 3.58Å; A274-V331 WeakPolarHBondContact O-CA 3.46Å; A274-V331 VanDerWaalsContact O-CG2 3.29Å; A274-V331 WeakPolarHBondContact O-CG2 3.19Å; F275-V331 HydrophobicContact CD1-CB 3.89Å; F275-V331 HydrophobicContact CD1-CG2 4.38Å; F275-V331 HydrophobicContact CE1-CB 3.61Å; F275-V331 HydrophobicContact CE1-CG2 4.04Å; F275-V331 HydrophobicContact CE2-CG2 4.38Å; F275-V331 HydrophobicContact CZ-CB 4.1Å; F275-V331 HydrophobicContact CZ-CG2 4.03Å; R320-V331 HydrophobicContact CB-CG1 4.17Å; R320-V331 WeakPolarHBondContact CD-O 3.46Å; R320-V331 HydrophobicContact CG-CG1 3.58Å; V331-F338 HydrophobicContact CB-CD2 4.21Å; V331-F338 HydrophobicContact CB-CE2 4.06Å; V331-F338 HydrophobicContact CG1-CD2 3.71Å; V331-F338 HydrophobicContact CG1-CE2 3.9Å; V331-F338 HydrophobicContact CG1-CG 4.17Å; V331-F338 HydrophobicContact CG2-CD2 3.69Å; V331-F338 HydrophobicContact CG2-CE2 3.63Å
332	T	96.9	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-74.5	-35.6	-173	56.7	0	0	0	0	113.3	V245 T248 A274 Y276 R320	V245-T332 HydrophobicContact CG2-CG2 3.89Å; T248-T332 PolarHBondContact OG1-O 3.18Å; A274-T332 HydrophobicContact CB-CG2 3.96Å; A274-T332 WeakPolarHBondContact O-CG2 3.2Å; A274-T332 PolarHBondContact O-N 2.86Å; A274-T332 PolarHBondContact O-OG1 2.85Å; Y276-T332 HydrophobicContact CD2-CG2 4.14Å; Y276-T332 HydrophobicContact CE2-CG2 3.67Å; R320-T332 PolarHBondContact NH1-O 3.42Å; R320-T332 VanDerWaalsContact NH1-O 3.11Å
333	E	95.7	Very high	97	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.023	11%	0.113	C	C	.	.	S	Bend	trans	-91.7	142.4	-170.5	-172.8	54.5	-105.2	0	0	114.2	S244 H272 R320 H337	S244-E333 VanDerWaalsContact CB-OE2 3.27Å; S244-E333 WeakPolarHBondContact CB-OE2 3.27Å; S244-E333 PolarHBondContact OG-OE2 3.42Å; H272-E333 HydrophobicContact CB-CB 4.12Å; H272-E333 HydrophobicContact CB-CG 3.83Å; H272-E333 IonicContact CD2-OE2 2.86Å; H272-E333 PolarHBondContact CD2-OE2 3.47Å; H272-E333 IonicContact CE1-OE2 2.93Å; H272-E333 IonicContact CG-OE2 3.97Å; H272-E333 IonicContact NE2-OE2 3.19Å; H272-E333 PolarHBondContact NE2-OE2 3.4Å; H272-E333 WeakPolarHBondContact O-CB 3.3Å; R320-E333 WeakPolarHBondContact CD-O 3.31Å; R320-E333 WeakPolarHBondContact CG-O 3.15Å; E333-H337 HydrophobicContact CG-CB 3.49Å; E333-H337 VanDerWaalsContact CG-CB 3.49Å; E333-H337 IonicContact OE1-CE1 3.59Å; E333-H337 PolarHBondContact OE1-CE1 3.07Å; E333-H337 IonicContact OE1-CG 3.66Å; E333-H337 IonicContact OE1-ND1 3.62Å; E333-H337 PolarHBondContact OE1-ND1 3.31Å
334	S	94.4	Very high	97	Very high	15 Å²	15	26.8 Å²	26.8	11%	0.105	13%	0.13	C	C	.	.			trans	-51	156.7	-170.4	78.1	0	0	0	0	114.3	E336 H337 F338	S334-E336 VanDerWaalsContact C-N 3.26Å; S334-E336 WeakPolarHBondContact CB-OE1 3.31Å; S334-E336 WeakPolarHBondContact CB-OE2 3.43Å; S334-E336 PolarHBondContact O-N 3.33Å; S334-E336 WeakPolarHBondContact OG-CG 3.41Å; S334-E336 PolarHBondContact OG-OE1 3.34Å; S334-E336 PolarHBondContact OG-OE2 3.15Å; S334-H337 PolarHBondContact O-N 3.04Å; S334-H337 PolarHBondContact OG-ND1 3.09Å; S334-F338 WeakPolarHBondContact O-CB 3.26Å; S334-F338 PolarHBondContact O-N 2.77Å
335	S	95.5	Very high	96.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-32.9	-173.7	-79.7	0	0	0	0	113.2	C315 N317 V319 R320 A339	C315-S335 VanDerWaalsContact SG-CB 3.58Å; N317-S335 WeakPolarHBondContact CA-OG 3.41Å; N317-S335 PolarHBondContact O-OG 3.33Å; N317-S335 PolarHBondContact OD1-OG 2.65Å; V319-S335 PolarHBondContact N-OG 2.84Å; R320-S335 PolarHBondContact N-OG 2.8Å; R320-S335 VanDerWaalsContact N-OG 3.1Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.95Å
336	E	94.4	Very high	96.9	Very high	9 Å²	9	22.5 Å²	22.5	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-67.9	-42.8	176.9	61.4	-83.1	-163	0	0	112.4	T179 I180 C315 S334 P360 R367	T179-E336 WeakPolarHBondContact CB-O 3.35Å; T179-E336 PolarHBondContact OG1-O 3.06Å; I180-E336 HydrophobicContact CD1-CG 3.92Å; I180-E336 HydrophobicContact CG1-CB 4.44Å; I180-E336 HydrophobicContact CG1-CG 3.95Å; C315-E336 PolarHBondContact SG-OE2 2.92Å; S334-E336 VanDerWaalsContact C-N 3.26Å; S334-E336 WeakPolarHBondContact CB-OE1 3.31Å; S334-E336 WeakPolarHBondContact CB-OE2 3.43Å; S334-E336 PolarHBondContact O-N 3.33Å; S334-E336 WeakPolarHBondContact OG-CG 3.41Å; S334-E336 PolarHBondContact OG-OE1 3.34Å; S334-E336 PolarHBondContact OG-OE2 3.15Å; E336-P360 HydrophobicContact CB-CG 3.5Å; E336-P360 VanDerWaalsContact CB-CG 3.5Å; E336-P360 HydrophobicContact CG-CG 4.49Å; E336-R367 IonicContact OE1-CZ 2.69Å; E336-R367 IonicContact OE1-NH1 3.57Å; E336-R367 IonicContact OE1-NH2 3.57Å; E336-R367 PolarHBondContact OE1-NH2 3.35Å
337	H	95.4	Very high	96.8	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.065	10%	0.095	C	C	.	.	H	α-helix	trans	-67.3	-52.1	174.4	-70.7	117.1	0	0	0	110.7	I180 D182 H272 E333 S334 A339 E340 Y341	I180-H337 WeakPolarHBondContact CG2-NE2 3.26Å; D182-H337 IonicContact OD1-CD2 3.65Å; D182-H337 IonicContact OD1-NE2 2.82Å; H272-H337 AromaticContact CE1-CD2 3.99Å; H272-H337 AromaticContact CE1-NE2 3.97Å; E333-H337 HydrophobicContact CG-CB 3.49Å; E333-H337 VanDerWaalsContact CG-CB 3.49Å; E333-H337 IonicContact OE1-CE1 3.59Å; E333-H337 PolarHBondContact OE1-CE1 3.07Å; E333-H337 IonicContact OE1-CG 3.66Å; E333-H337 IonicContact OE1-ND1 3.62Å; E333-H337 PolarHBondContact OE1-ND1 3.31Å; S334-H337 PolarHBondContact O-N 3.04Å; S334-H337 PolarHBondContact OG-ND1 3.09Å; H337-A339 VanDerWaalsContact C-N 3.26Å; H337-A339 PolarHBondContact O-N 3.13Å; H337-E340 WeakPolarHBondContact O-CB 3.42Å; H337-E340 PolarHBondContact O-N 2.91Å; H337-Y341 VanDerWaalsContact C-CE2 3.47Å; H337-Y341 HydrophobicContact CB-CE2 3.61Å; H337-Y341 WeakPolarHBondContact CB-OH 3.27Å; H337-Y341 PolarHBondContact CD2-OH 3.33Å; H337-Y341 VanDerWaalsContact O-CD2 3.32Å; H337-Y341 WeakPolarHBondContact O-CD2 3.36Å; H337-Y341 VanDerWaalsContact O-CE2 3.31Å; H337-Y341 WeakPolarHBondContact O-CE2 3.36Å; H337-Y341 PolarHBondContact O-N 3.41Å
338	F	97	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-31.9	-175.4	-167.5	-83.9	0	0	0	113.2	M273 V319 M323 V331 S334 E340 Y341 T342 W344 F345 L457	M273-F338 HydrophobicContact CE-CD2 4.39Å; M273-F338 HydrophobicContact CE-CE2 3.97Å; M273-F338 HydrophobicContact CG-CE2 4.09Å; V319-F338 HydrophobicContact CG1-CB 4.44Å; V319-F338 HydrophobicContact CG1-CD1 3.86Å; M323-F338 HydrophobicContact CB-CE1 4.23Å; M323-F338 HydrophobicContact CE-CE1 4.29Å; M323-F338 HydrophobicContact CE-CZ 4.46Å; M323-F338 HydrophobicContact CG-CD1 4.1Å; M323-F338 HydrophobicContact CG-CE1 3.52Å; M323-F338 HydrophobicContact CG-CZ 4.26Å; M323-F338 HydrophobicContact SD-CE1 4.23Å; V331-F338 HydrophobicContact CB-CD2 4.21Å; V331-F338 HydrophobicContact CB-CE2 4.06Å; V331-F338 HydrophobicContact CG1-CD2 3.71Å; V331-F338 HydrophobicContact CG1-CE2 3.9Å; V331-F338 HydrophobicContact CG1-CG 4.17Å; V331-F338 HydrophobicContact CG2-CD2 3.69Å; V331-F338 HydrophobicContact CG2-CE2 3.63Å; S334-F338 WeakPolarHBondContact O-CB 3.26Å; S334-F338 PolarHBondContact O-N 2.77Å; F338-E340 PolarHBondContact O-N 3.43Å; F338-Y341 PolarHBondContact O-N 3.18Å; F338-T342 HydrophobicContact CD1-CG2 4.12Å; F338-T342 HydrophobicContact CE1-CG2 3.52Å; F338-T342 HydrophobicContact CE2-CG2 4.45Å; F338-T342 HydrophobicContact CZ-CG2 3.75Å; F338-T342 PolarHBondContact O-OG1 3.3Å; F338-T342 VanDerWaalsContact O-OG1 3.13Å; F338-W344 HydrophobicContact CE1-CZ3 4.48Å; F338-F345 HydrophobicContact CD1-CE2 4.42Å; F338-F345 HydrophobicContact CE1-CE2 4.46Å; F338-L457 HydrophobicContact CZ-CD2 4.06Å
339	A	97.2	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-30.2	175.9	0	0	0	0	0	113.1	V319 S335 H337 F345 I346 V359	V319-A339 HydrophobicContact CG1-CB 4.38Å; V319-A339 HydrophobicContact CG2-CB 4.25Å; S335-A339 WeakPolarHBondContact O-CB 3.48Å; S335-A339 PolarHBondContact O-N 2.95Å; H337-A339 VanDerWaalsContact C-N 3.26Å; H337-A339 PolarHBondContact O-N 3.13Å; A339-F345 HydrophobicContact CB-CB 3.95Å; A339-F345 HydrophobicContact CB-CD2 4.31Å; A339-F345 HydrophobicContact CB-CG 4.29Å; A339-I346 HydrophobicContact CB-CD1 4.42Å; A339-V359 HydrophobicContact CB-CG1 3.84Å; A339-V359 HydrophobicContact CB-CG2 4.12Å
340	E	95.5	Very high	96.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-83.8	-25.7	180	-178.1	178.4	90.2	0	0	112.6	Q178 T179 I180 A181 H337 F338 T342 I346 H489	Q178-E340 WeakPolarHBondContact CA-OE2 3.48Å; Q178-E340 VanDerWaalsContact CB-OE2 3.3Å; Q178-E340 WeakPolarHBondContact CB-OE2 3.36Å; T179-E340 PolarHBondContact N-OE2 3.31Å; T179-E340 PolarHBondContact OG1-OE2 2.87Å; I180-E340 PolarHBondContact N-OE2 3.35Å; I180-E340 VanDerWaalsContact N-OE2 3.15Å; A181-E340 WeakPolarHBondContact CA-OE1 3.42Å; A181-E340 PolarHBondContact N-OE1 3.3Å; A181-E340 PolarHBondContact N-OE2 2.87Å; A181-E340 VanDerWaalsContact N-OE2 3.16Å; H337-E340 WeakPolarHBondContact O-CB 3.42Å; H337-E340 PolarHBondContact O-N 2.91Å; F338-E340 PolarHBondContact O-N 3.43Å; E340-T342 VanDerWaalsContact C-N 3.28Å; E340-T342 PolarHBondContact O-N 3.42Å; E340-I346 HydrophobicContact CB-CD1 4.38Å; E340-H489 WeakPolarHBondContact O-CB 3.4Å
341	Y	96.1	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-88.2	2.1	-176.9	-48.7	-29.1	0	0	0	114	T183 L184 H272 H337 F338	T183-Y341 WeakPolarHBondContact CB-OH 3.46Å; T183-Y341 HydrophobicContact CG2-CE1 4.31Å; T183-Y341 HydrophobicContact CG2-CE2 4.32Å; T183-Y341 PolarHBondContact OG1-OH 2.93Å; T183-Y341 VanDerWaalsContact OG1-OH 3.09Å; L184-Y341 HydrophobicContact CB-CD1 3.61Å; L184-Y341 HydrophobicContact CB-CE1 3.93Å; L184-Y341 HydrophobicContact CB-CG 4.44Å; L184-Y341 HydrophobicContact CD2-CD1 4.39Å; H272-Y341 HydrophobicContact CB-CD2 4.46Å; H272-Y341 HydrophobicContact CB-CE2 3.74Å; H272-Y341 AromaticContact ND1-CZ 3.98Å; H272-Y341 PolarHBondContact ND1-OH 3.02Å; H337-Y341 VanDerWaalsContact C-CE2 3.47Å; H337-Y341 HydrophobicContact CB-CE2 3.61Å; H337-Y341 WeakPolarHBondContact CB-OH 3.27Å; H337-Y341 PolarHBondContact CD2-OH 3.33Å; H337-Y341 VanDerWaalsContact O-CD2 3.32Å; H337-Y341 WeakPolarHBondContact O-CD2 3.36Å; H337-Y341 VanDerWaalsContact O-CE2 3.31Å; H337-Y341 WeakPolarHBondContact O-CE2 3.36Å; H337-Y341 PolarHBondContact O-N 3.41Å; F338-Y341 PolarHBondContact O-N 3.18Å
342	T	97.7	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-134.8	150.1	-175.9	62.5	0	0	0	0	110.7	M273 F338 E340 W344 F345 L457	M273-T342 HydrophobicContact CE-CG2 4.24Å; F338-T342 HydrophobicContact CD1-CG2 4.12Å; F338-T342 HydrophobicContact CE1-CG2 3.52Å; F338-T342 HydrophobicContact CE2-CG2 4.45Å; F338-T342 HydrophobicContact CZ-CG2 3.75Å; F338-T342 PolarHBondContact O-OG1 3.3Å; F338-T342 VanDerWaalsContact O-OG1 3.13Å; E340-T342 VanDerWaalsContact C-N 3.28Å; E340-T342 PolarHBondContact O-N 3.42Å; T342-W344 VanDerWaalsContact CB-CE3 3.49Å; T342-W344 HydrophobicContact CG2-CE3 3.97Å; T342-W344 HydrophobicContact CG2-CH2 4.48Å; T342-W344 HydrophobicContact CG2-CZ3 3.69Å; T342-W344 PolarHBondContact O-N 3.2Å; T342-W344 VanDerWaalsContact O-N 3.11Å; T342-F345 WeakPolarHBondContact OG1-CD2 3.3Å; T342-L457 HydrophobicContact CG2-CD1 4.2Å
343	P	97.1	Very high	96.4	Very high	34 Å²	34	34.5 Å²	34.5	22%	0.221	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	15.4	-171.8	34.8	-37	0	0	0	112.9	K347 A492	P343-K347 WeakPolarHBondContact O-CE 3.34Å; P343-K347 PolarHBondContact O-NZ 3.43Å; P343-A492 HydrophobicContact CB-CB 3.65Å
344	W	97.6	Very high	96.5	Very high	109 Å²	109	35.8 Å²	35.8	41%	0.413	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-24.1	-162.6	-56.9	-47.7	0	0	0	115	M323 F338 T342 L457	M323-W344 HydrophobicContact CE-CE3 3.79Å; M323-W344 HydrophobicContact CE-CH2 3.91Å; M323-W344 HydrophobicContact CE-CZ3 3.2Å; M323-W344 HydrophobicContact SD-CE3 3.7Å; M323-W344 HydrophobicContact SD-CZ3 3.77Å; F338-W344 HydrophobicContact CE1-CZ3 4.48Å; T342-W344 VanDerWaalsContact CB-CE3 3.49Å; T342-W344 HydrophobicContact CG2-CE3 3.97Å; T342-W344 HydrophobicContact CG2-CH2 4.48Å; T342-W344 HydrophobicContact CG2-CZ3 3.69Å; T342-W344 PolarHBondContact O-N 3.2Å; T342-W344 VanDerWaalsContact O-N 3.11Å; W344-L457 HydrophobicContact CH2-CD1 3.73Å; W344-L457 HydrophobicContact CH2-CD2 4.24Å; W344-L457 HydrophobicContact CZ3-CD1 4.27Å; W344-L457 HydrophobicContact CZ3-CD2 4.43Å
345	F	97.9	Very high	96.5	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	22%	0.219	C	C	.	.	S	Bend	trans	-108.9	-40.4	-165.6	-61	-75	0	0	0	114	V319 M323 F338 A339 T342 Y357 V359	V319-F345 HydrophobicContact CB-CE1 4.44Å; V319-F345 HydrophobicContact CB-CZ 4.46Å; V319-F345 HydrophobicContact CG1-CD1 4.37Å; V319-F345 HydrophobicContact CG1-CD2 3.95Å; V319-F345 HydrophobicContact CG1-CE1 4.05Å; V319-F345 HydrophobicContact CG1-CE2 3.58Å; V319-F345 HydrophobicContact CG1-CG 4.33Å; V319-F345 HydrophobicContact CG1-CZ 3.64Å; V319-F345 HydrophobicContact CG2-CD1 4.02Å; V319-F345 HydrophobicContact CG2-CE1 4.16Å; V319-F345 HydrophobicContact CG2-CG 4.32Å; M323-F345 HydrophobicContact CG-CE2 4.13Å; M323-F345 HydrophobicContact CG-CZ 3.81Å; M323-F345 HydrophobicContact SD-CE2 3.94Å; M323-F345 HydrophobicContact SD-CZ 3.61Å; F338-F345 HydrophobicContact CD1-CE2 4.42Å; F338-F345 HydrophobicContact CE1-CE2 4.46Å; A339-F345 HydrophobicContact CB-CB 3.95Å; A339-F345 HydrophobicContact CB-CD2 4.31Å; A339-F345 HydrophobicContact CB-CG 4.29Å; T342-F345 WeakPolarHBondContact OG1-CD2 3.3Å; F345-Y357 HydrophobicContact CD1-CD1 4.47Å; F345-Y357 AromaticContact CD1-CD2 3.67Å; F345-Y357 HydrophobicContact CD1-CD2 3.67Å; F345-Y357 HydrophobicContact CD1-CE2 4.08Å; F345-Y357 AromaticContact CD1-CG 3.9Å; F345-Y357 HydrophobicContact CD1-CG 3.9Å; F345-Y357 HydrophobicContact CE1-CD1 4.19Å; F345-Y357 HydrophobicContact CE1-CD2 4.01Å; F345-Y357 HydrophobicContact CE1-CE1 4.28Å; F345-Y357 HydrophobicContact CE1-CE2 4.09Å; F345-Y357 HydrophobicContact CE1-CG 4.07Å; F345-V359 HydrophobicContact CB-CG2 4.24Å
346	I	97.8	Very high	96.6	Very high	3 Å²	3	50 Å²	50	2%	0.015	25%	0.246	C	C	.	.			trans	-104.7	112.9	-178.4	-53	169.8	0	0	0	107.7	E177 T179 A339 E340 I354 V359 L361 H489	E177-I346 HydrophobicContact CB-CG2 4.16Å; T179-I346 HydrophobicContact CG2-CD1 3.78Å; A339-I346 HydrophobicContact CB-CD1 4.42Å; E340-I346 HydrophobicContact CB-CD1 4.38Å; I346-I354 HydrophobicContact CB-CD1 4.44Å; I346-I354 HydrophobicContact CG1-CD1 4.12Å; I346-I354 HydrophobicContact CG2-CD1 4.46Å; I346-V359 HydrophobicContact CD1-CG1 4.08Å; I346-V359 HydrophobicContact CG1-CG1 3.92Å; I346-L361 HydrophobicContact CD1-CD2 4.13Å; I346-L361 HydrophobicContact CG1-CD2 4.22Å; I346-L361 HydrophobicContact CG2-CD2 4.05Å; I346-H489 WeakPolarHBondContact CB-NE2 3.47Å; I346-H489 WeakPolarHBondContact CG2-NE2 3.35Å
347	K	96	Very high	96.6	Very high	59 Å²	59	50.7 Å²	50.7	26%	0.257	25%	0.249	S	C	.	.			trans	-149	138.7	-173.6	-73.1	-171.4	176.7	-61.6	0	111.5	P343 G349 R350 L353	P343-K347 WeakPolarHBondContact O-CE 3.34Å; P343-K347 PolarHBondContact O-NZ 3.43Å; K347-G349 PolarHBondContact O-N 2.9Å; K347-R350 HydrophobicContact CB-CB 3.85Å; K347-R350 HydrophobicContact CB-CG 3.94Å; K347-R350 PolarHBondContact O-N 2.86Å; K347-L353 HydrophobicContact CD-CD1 4.27Å
348	P	93.7	Very high	96.6	Very high	86 Å²	86	54.2 Å²	54.2	56%	0.558	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	133.8	171.5	-26.3	33.2	0	0	0	112.5	R350 V493	P348-R350 PolarHBondContact O-N 2.89Å; P348-V493 HydrophobicContact CG-CG1 3.73Å; P348-V493 HydrophobicContact CG-CG2 4.46Å
349	G	95.5	Very high	96.6	Very high	56 Å²	56	54.6 Å²	54.6	58%	0.577	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	20.3	177.8	0	0	0	0	0	114.7	K347	K347-G349 PolarHBondContact O-N 2.9Å
350	R	96.9	Very high	96.5	Very high	98 Å²	98	55 Å²	55	37%	0.37	27%	0.269	S	S	.	.			trans	-125.8	47	177.8	-64.4	-59.3	-51.6	-78.5	-0.2	111.2	K347 P348 D352 L353	K347-R350 HydrophobicContact CB-CB 3.85Å; K347-R350 HydrophobicContact CB-CG 3.94Å; K347-R350 PolarHBondContact O-N 2.86Å; P348-R350 PolarHBondContact O-N 2.89Å; R350-D352 VanDerWaalsContact CA-OD1 3.28Å; R350-D352 WeakPolarHBondContact CA-OD1 3.35Å; R350-D352 IonicContact CZ-OD1 3.4Å; R350-D352 IonicContact CZ-OD2 3.55Å; R350-D352 IonicContact NE-OD1 2.92Å; R350-D352 PolarHBondContact NE-OD1 2.84Å; R350-D352 IonicContact NE-OD2 2.84Å; R350-D352 IonicContact NH2-OD1 3.65Å; R350-D352 PolarHBondContact NH2-OD1 3.14Å; R350-D352 IonicContact NH2-OD2 3.53Å; R350-D352 PolarHBondContact NH2-OD2 2.95Å; R350-D352 PolarHBondContact O-N 2.84Å; R350-D352 VanDerWaalsContact O-N 3.11Å; R350-L353 HydrophobicContact CB-CB 4.48Å; R350-L353 HydrophobicContact CB-CD1 3.77Å; R350-L353 HydrophobicContact CB-CG 4Å; R350-L353 HydrophobicContact CG-CD1 4.26Å; R350-L353 VanDerWaalsContact NH2-CD2 3.32Å; R350-L353 WeakPolarHBondContact O-CB 3.47Å; R350-L353 PolarHBondContact O-N 2.76Å
351	E	96.7	Very high	96.5	Very high	134 Å²	134	56.2 Å²	56.2	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-56.8	-25.4	174.7	-60.8	79	-175.8	0	0	111.3	L353 I354 E355	E351-L353 VanDerWaalsContact C-N 3.26Å; E351-L353 PolarHBondContact O-N 2.87Å; E351-I354 PolarHBondContact O-N 3.1Å; E351-E355 PolarHBondContact O-N 3.1Å
352	D	98.2	Very high	96.5	Very high	79 Å²	79	57.9 Å²	57.9	42%	0.422	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-34	171.7	71.1	-65.7	0	0	0	113	R350 R356	R350-D352 VanDerWaalsContact CA-OD1 3.28Å; R350-D352 WeakPolarHBondContact CA-OD1 3.35Å; R350-D352 IonicContact CZ-OD1 3.4Å; R350-D352 IonicContact CZ-OD2 3.55Å; R350-D352 IonicContact NE-OD1 2.92Å; R350-D352 PolarHBondContact NE-OD1 2.84Å; R350-D352 IonicContact NE-OD2 2.84Å; R350-D352 IonicContact NH2-OD1 3.65Å; R350-D352 PolarHBondContact NH2-OD1 3.14Å; R350-D352 IonicContact NH2-OD2 3.53Å; R350-D352 PolarHBondContact NH2-OD2 2.95Å; R350-D352 PolarHBondContact O-N 2.84Å; R350-D352 VanDerWaalsContact O-N 3.11Å; D352-R356 WeakPolarHBondContact O-CB 3.22Å; D352-R356 PolarHBondContact O-N 3.35Å
353	L	97.9	Very high	96.4	Very high	16 Å²	16	57.9 Å²	57.9	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-72.3	-43.2	175.8	-63.1	178.5	0	0	0	111.1	K347 R350 E351 E355 R356 Y357	K347-L353 HydrophobicContact CD-CD1 4.27Å; R350-L353 HydrophobicContact CB-CB 4.48Å; R350-L353 HydrophobicContact CB-CD1 3.77Å; R350-L353 HydrophobicContact CB-CG 4Å; R350-L353 HydrophobicContact CG-CD1 4.26Å; R350-L353 VanDerWaalsContact NH2-CD2 3.32Å; R350-L353 WeakPolarHBondContact O-CB 3.47Å; R350-L353 PolarHBondContact O-N 2.76Å; E351-L353 VanDerWaalsContact C-N 3.26Å; E351-L353 PolarHBondContact O-N 2.87Å; L353-E355 VanDerWaalsContact C-N 3.33Å; L353-E355 PolarHBondContact O-N 2.97Å; L353-R356 PolarHBondContact O-N 3.09Å; L353-Y357 HydrophobicContact CB-CD2 4.46Å; L353-Y357 HydrophobicContact CD2-CD2 4.47Å; L353-Y357 HydrophobicContact CD2-CE2 4.03Å; L353-Y357 WeakPolarHBondContact O-CB 3.27Å; L353-Y357 VanDerWaalsContact O-CD2 3.32Å; L353-Y357 WeakPolarHBondContact O-CD2 3.32Å; L353-Y357 PolarHBondContact O-N 3.1Å
354	I	97.2	Very high	96.3	Very high	31 Å²	31	58 Å²	58	16%	0.159	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-47	177.3	-58.7	-59.8	0	0	0	110.1	I346 E351 K358 V359 L361	I346-I354 HydrophobicContact CB-CD1 4.44Å; I346-I354 HydrophobicContact CG1-CD1 4.12Å; I346-I354 HydrophobicContact CG2-CD1 4.46Å; E351-I354 PolarHBondContact O-N 3.1Å; I354-K358 VanDerWaalsContact O-CA 3.24Å; I354-K358 WeakPolarHBondContact O-CA 3.39Å; I354-K358 PolarHBondContact O-N 3.06Å; I354-V359 HydrophobicContact CD1-CB 3.97Å; I354-V359 HydrophobicContact CD1-CG1 4.26Å; I354-V359 HydrophobicContact CD1-CG2 4.47Å; I354-V359 HydrophobicContact CG2-CB 4.44Å; I354-V359 WeakPolarHBondContact CG2-O 3.48Å; I354-V359 PolarHBondContact O-N 3.07Å; I354-V359 VanDerWaalsContact O-N 3.09Å; I354-L361 HydrophobicContact CD1-CD1 4.25Å; I354-L361 HydrophobicContact CD1-CD2 4.14Å; I354-L361 HydrophobicContact CD1-CG 4.34Å; I354-L361 HydrophobicContact CG1-CD1 4.36Å; I354-L361 HydrophobicContact CG2-CD1 4.26Å; I354-L361 HydrophobicContact CG2-CG 4.39Å
355	E	96.3	Very high	96.2	Very high	159 Å²	159	53.7 Å²	53.7	74%	0.743	27%	0.266	S	S	*	.	H	α-helix	trans	-65.4	-48.6	177.8	-174.4	178.6	-174.6	0	0	111.8	E351 L353 Y357 K358	E351-E355 PolarHBondContact O-N 3.1Å; L353-E355 VanDerWaalsContact C-N 3.33Å; L353-E355 PolarHBondContact O-N 2.97Å; E355-Y357 PolarHBondContact O-N 3.37Å; E355-K358 PolarHBondContact O-N 3.05Å
356	R	95.9	Very high	96	Very high	156 Å²	156	57.7 Å²	57.7	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-59.4	-45.2	-178.2	175.9	177.3	176.5	165.6	-2.3	112.5	D352 L353	D352-R356 WeakPolarHBondContact O-CB 3.22Å; D352-R356 PolarHBondContact O-N 3.35Å; L353-R356 PolarHBondContact O-N 3.09Å
357	Y	95.8	Very high	95.7	Very high	24 Å²	24	60.1 Å²	60.1	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-94.5	-2	-175.9	-66.4	-65.8	0	0	0	113.3	I318 V319 E322 F345 L353 E355 V359	I318-Y357 HydrophobicContact CG2-CD1 3.85Å; I318-Y357 HydrophobicContact CG2-CE1 4.47Å; V319-Y357 HydrophobicContact CG2-CG 4.48Å; E322-Y357 HydrophobicContact CB-CD1 4.47Å; E322-Y357 HydrophobicContact CB-CE1 3.82Å; E322-Y357 HydrophobicContact CG-CE1 3.67Å; E322-Y357 WeakPolarHBondContact OE2-CE1 3.2Å; E322-Y357 PolarHBondContact OE2-OH 3.25Å; F345-Y357 HydrophobicContact CD1-CD1 4.47Å; F345-Y357 AromaticContact CD1-CD2 3.67Å; F345-Y357 HydrophobicContact CD1-CD2 3.67Å; F345-Y357 HydrophobicContact CD1-CE2 4.08Å; F345-Y357 AromaticContact CD1-CG 3.9Å; F345-Y357 HydrophobicContact CD1-CG 3.9Å; F345-Y357 HydrophobicContact CE1-CD1 4.19Å; F345-Y357 HydrophobicContact CE1-CD2 4.01Å; F345-Y357 HydrophobicContact CE1-CE1 4.28Å; F345-Y357 HydrophobicContact CE1-CE2 4.09Å; F345-Y357 HydrophobicContact CE1-CG 4.07Å; L353-Y357 HydrophobicContact CB-CD2 4.46Å; L353-Y357 HydrophobicContact CD2-CD2 4.47Å; L353-Y357 HydrophobicContact CD2-CE2 4.03Å; L353-Y357 WeakPolarHBondContact O-CB 3.27Å; L353-Y357 VanDerWaalsContact O-CD2 3.32Å; L353-Y357 WeakPolarHBondContact O-CD2 3.32Å; L353-Y357 PolarHBondContact O-N 3.1Å; E355-Y357 PolarHBondContact O-N 3.37Å; Y357-V359 VanDerWaalsContact C-N 3.28Å; Y357-V359 PolarHBondContact O-N 2.84Å
358	K	94.7	Very high	95.4	Very high	88 Å²	88	57.8 Å²	57.8	38%	0.383	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	48.9	-177.4	-60.1	176	-179.3	-94.9	0	111.6	Q316 I318 I354 E355 P360	Q316-K358 HydrophobicContact CB-CD 3.92Å; Q316-K358 VanDerWaalsContact CD-CE 3.47Å; Q316-K358 HydrophobicContact CG-CD 3.65Å; I318-K358 HydrophobicContact CD1-CB 4.44Å; I318-K358 HydrophobicContact CD1-CD 3.73Å; I318-K358 HydrophobicContact CD1-CG 4.04Å; I354-K358 VanDerWaalsContact O-CA 3.24Å; I354-K358 WeakPolarHBondContact O-CA 3.39Å; I354-K358 PolarHBondContact O-N 3.06Å; E355-K358 PolarHBondContact O-N 3.05Å; K358-P360 WeakPolarHBondContact O-CD 3.29Å
359	V	96.2	Very high	95.3	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.042	28%	0.28	C	S	.	.			trans	-75.2	118.4	179.2	-179	0	0	0	0	108.5	T179 V319 A339 F345 I346 I354 Y357 L361	T179-V359 HydrophobicContact CG2-CG1 3.57Å; V319-V359 HydrophobicContact CG2-CG2 4.05Å; A339-V359 HydrophobicContact CB-CG1 3.84Å; A339-V359 HydrophobicContact CB-CG2 4.12Å; F345-V359 HydrophobicContact CB-CG2 4.24Å; I346-V359 HydrophobicContact CD1-CG1 4.08Å; I346-V359 HydrophobicContact CG1-CG1 3.92Å; I354-V359 HydrophobicContact CD1-CB 3.97Å; I354-V359 HydrophobicContact CD1-CG1 4.26Å; I354-V359 HydrophobicContact CD1-CG2 4.47Å; I354-V359 HydrophobicContact CG2-CB 4.44Å; I354-V359 WeakPolarHBondContact CG2-O 3.48Å; I354-V359 PolarHBondContact O-N 3.07Å; I354-V359 VanDerWaalsContact O-N 3.09Å; Y357-V359 VanDerWaalsContact C-N 3.28Å; Y357-V359 PolarHBondContact O-N 2.84Å; V359-L361 HydrophobicContact CG1-CD2 4.34Å; V359-L361 PolarHBondContact O-N 2.95Å; V359-L361 VanDerWaalsContact O-N 3.15Å
360	P	95.5	Very high	95.1	Very high	10 Å²	10	58.8 Å²	58.8	7%	0.065	27%	0.271	C	S	.	.			trans	-86.1	91.6	-175.4	36.5	-36.8	0	0	0	110.2	T179 R314 C315 E336 K358 E363	T179-P360 WeakPolarHBondContact CG2-O 3.37Å; R314-P360 HydrophobicContact CB-CB 4.11Å; C315-P360 HydrophobicContact CB-CG 4.03Å; E336-P360 HydrophobicContact CB-CG 3.5Å; E336-P360 VanDerWaalsContact CB-CG 3.5Å; E336-P360 HydrophobicContact CG-CG 4.49Å; K358-P360 WeakPolarHBondContact O-CD 3.29Å; P360-E363 HydrophobicContact CB-CB 3.99Å; P360-E363 HydrophobicContact CB-CG 4.28Å; P360-E363 HydrophobicContact CG-CB 3.97Å; P360-E363 HydrophobicContact CG-CG 4.11Å; P360-E363 VanDerWaalsContact O-CB 3.25Å; P360-E363 WeakPolarHBondContact O-CB 3.37Å; P360-E363 PolarHBondContact O-N 2.85Å
361	L	96.5	Very high	94.6	Very high	26 Å²	26	58.7 Å²	58.7	14%	0.136	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	145.3	173.5	-58.8	176.9	0	0	0	110.8	E177 T179 I346 I354 V359 E363 K366	E177-L361 HydrophobicContact CB-CD1 4.36Å; E177-L361 HydrophobicContact CB-CD2 4.14Å; E177-L361 WeakPolarHBondContact OE1-CD1 3.37Å; T179-L361 HydrophobicContact CG2-CD2 4.3Å; I346-L361 HydrophobicContact CD1-CD2 4.13Å; I346-L361 HydrophobicContact CG1-CD2 4.22Å; I346-L361 HydrophobicContact CG2-CD2 4.05Å; I354-L361 HydrophobicContact CD1-CD1 4.25Å; I354-L361 HydrophobicContact CD1-CD2 4.14Å; I354-L361 HydrophobicContact CD1-CG 4.34Å; I354-L361 HydrophobicContact CG1-CD1 4.36Å; I354-L361 HydrophobicContact CG2-CD1 4.26Å; I354-L361 HydrophobicContact CG2-CG 4.39Å; V359-L361 HydrophobicContact CG1-CD2 4.34Å; V359-L361 PolarHBondContact O-N 2.95Å; V359-L361 VanDerWaalsContact O-N 3.15Å; L361-E363 PolarHBondContact O-N 2.94Å; L361-K366 PolarHBondContact O-NZ 2.79Å
362	D	96.3	Very high	94.1	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	32	-175.6	-49.2	-63.9	0	0	0	114.3	K172 Q178 K366	K172-D362 WeakPolarHBondContact CE-OD1 3.4Å; K172-D362 IonicContact NZ-OD1 3.78Å; K172-D362 PolarHBondContact NZ-OD1 2.54Å; K172-D362 IonicContact NZ-OD2 3.89Å; K172-D362 PolarHBondContact NZ-OD2 3.32Å; Q178-D362 PolarHBondContact O-N 3Å; D362-K366 VanDerWaalsContact O-CD 3.28Å; D362-K366 WeakPolarHBondContact O-CD 3.18Å; D362-K366 VanDerWaalsContact O-CG 3.28Å; D362-K366 WeakPolarHBondContact O-CG 3.08Å; D362-K366 PolarHBondContact O-N 2.55Å
363	E	95.1	Very high	93.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-43	-175.4	179.2	58.2	-163.1	0	0	112.4	T179 I180 N312 R314 P360 L361 K366 R367	T179-E363 WeakPolarHBondContact O-CB 3.48Å; T179-E363 PolarHBondContact O-N 2.86Å; I180-E363 HydrophobicContact CD1-CB 4Å; I180-E363 HydrophobicContact CD1-CG 3.98Å; N312-E363 PolarHBondContact ND2-OE1 2.9Å; R314-E363 IonicContact CZ-OE1 3Å; R314-E363 IonicContact CZ-OE2 2.72Å; R314-E363 IonicContact NE-OE1 3.58Å; R314-E363 PolarHBondContact NE-OE1 2.97Å; R314-E363 IonicContact NE-OE2 3.93Å; R314-E363 PolarHBondContact NE-OE2 2.86Å; R314-E363 IonicContact NH2-OE1 3.6Å; R314-E363 PolarHBondContact NH2-OE1 3.4Å; R314-E363 IonicContact NH2-OE2 3.11Å; P360-E363 HydrophobicContact CB-CB 3.99Å; P360-E363 HydrophobicContact CB-CG 4.28Å; P360-E363 HydrophobicContact CG-CB 3.97Å; P360-E363 HydrophobicContact CG-CG 4.11Å; P360-E363 VanDerWaalsContact O-CB 3.25Å; P360-E363 WeakPolarHBondContact O-CB 3.37Å; P360-E363 PolarHBondContact O-N 2.85Å; L361-E363 PolarHBondContact O-N 2.94Å; E363-K366 WeakPolarHBondContact O-CB 3.43Å; E363-K366 PolarHBondContact O-N 3.21Å; E363-R367 HydrophobicContact CG-CG 4.34Å; E363-R367 WeakPolarHBondContact O-CG 3.42Å; E363-R367 PolarHBondContact O-N 3.29Å; E363-R367 WeakPolarHBondContact OE1-CG 3.37Å; E363-R367 IonicContact OE1-CZ 3.16Å; E363-R367 IonicContact OE1-NE 3.75Å; E363-R367 PolarHBondContact OE1-NE 3.14Å; E363-R367 IonicContact OE1-NH2 3.25Å
364	Y	94.6	Very high	93	Very high	36 Å²	36	59.8 Å²	59.8	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-46.1	-175.2	-170.8	-122.6	0	0	0	113.7	Q156 T164 F168 T179 I180 R191 K366 R367 C368	Q156-Y364 PolarHBondContact OE1-OH 3.23Å; T164-Y364 HydrophobicContact CG2-CD1 3.53Å; T164-Y364 HydrophobicContact CG2-CE1 3.85Å; F168-Y364 HydrophobicContact CE2-CD1 4.4Å; T179-Y364 PolarHBondContact O-N 3.21Å; I180-Y364 HydrophobicContact CG2-CD2 4.27Å; I180-Y364 HydrophobicContact CG2-CG 4.18Å; R191-Y364 PolarHBondContact NH1-OH 3.08Å; Y364-K366 VanDerWaalsContact C-N 3.27Å; Y364-K366 PolarHBondContact O-N 2.94Å; Y364-R367 WeakPolarHBondContact O-CB 3.2Å; Y364-R367 PolarHBondContact O-N 3.36Å; Y364-R367 VanDerWaalsContact O-N 3.08Å; Y364-C368 PolarHBondContact O-N 3.05Å; Y364-C368 PolarHBondContact O-SG 3.32Å; Y364-C368 VanDerWaalsContact O-SG 3.34Å
365	P	94.9	Very high	92.3	Very high	18 Å²	18	59.7 Å²	59.7	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-54.2	-41.7	171.2	-29.7	36.1	0	0	0	113.6	Y160 T164 F168 C368 V369	Y160-P365 HydrophobicContact CE2-CB 3.85Å; T164-P365 HydrophobicContact CG2-CG 4.36Å; F168-P365 HydrophobicContact CB-CG 4.38Å; F168-P365 HydrophobicContact CD1-CG 3.91Å; F168-P365 HydrophobicContact CD2-CG 3.69Å; F168-P365 HydrophobicContact CE1-CG 4.08Å; F168-P365 HydrophobicContact CE2-CG 3.85Å; F168-P365 HydrophobicContact CG-CG 3.71Å; F168-P365 VanDerWaalsContact CZ-CD 3.45Å; F168-P365 HydrophobicContact CZ-CG 4.05Å; P365-C368 PolarHBondContact O-N 3.05Å; P365-V369 PolarHBondContact O-N 3.49Å
366	K	94.4	Very high	91.7	Very high	89 Å²	89	58.1 Å²	58.1	39%	0.387	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-45	176.4	-66.3	164.3	-170.9	163.1	0	110.9	L361 D362 E363 Y364 C368 V369 E370	L361-K366 PolarHBondContact O-NZ 2.79Å; D362-K366 VanDerWaalsContact O-CD 3.28Å; D362-K366 WeakPolarHBondContact O-CD 3.18Å; D362-K366 VanDerWaalsContact O-CG 3.28Å; D362-K366 WeakPolarHBondContact O-CG 3.08Å; D362-K366 PolarHBondContact O-N 2.55Å; E363-K366 WeakPolarHBondContact O-CB 3.43Å; E363-K366 PolarHBondContact O-N 3.21Å; Y364-K366 VanDerWaalsContact C-N 3.27Å; Y364-K366 PolarHBondContact O-N 2.94Å; K366-C368 VanDerWaalsContact C-N 3.34Å; K366-C368 PolarHBondContact O-N 2.92Å; K366-V369 PolarHBondContact O-N 3.42Å; K366-E370 WeakPolarHBondContact O-CB 3.28Å; K366-E370 VanDerWaalsContact O-CG 3.3Å; K366-E370 WeakPolarHBondContact O-CG 3.47Å; K366-E370 PolarHBondContact O-N 3.45Å
367	R	91.1	Very high	91.3	Very high	54 Å²	54	57.2 Å²	57.2	20%	0.204	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-41.3	175.4	-71.1	-178.8	-173.9	-173.7	8.1	111.9	N312 E336 E363 Y364 V369 E370 Q371	N312-R367 PolarHBondContact ND2-NH2 3.21Å; E336-R367 IonicContact OE1-CZ 2.69Å; E336-R367 IonicContact OE1-NH1 3.57Å; E336-R367 IonicContact OE1-NH2 3.57Å; E336-R367 PolarHBondContact OE1-NH2 3.35Å; E363-R367 HydrophobicContact CG-CG 4.34Å; E363-R367 WeakPolarHBondContact O-CG 3.42Å; E363-R367 PolarHBondContact O-N 3.29Å; E363-R367 WeakPolarHBondContact OE1-CG 3.37Å; E363-R367 IonicContact OE1-CZ 3.16Å; E363-R367 IonicContact OE1-NE 3.75Å; E363-R367 PolarHBondContact OE1-NE 3.14Å; E363-R367 IonicContact OE1-NH2 3.25Å; Y364-R367 WeakPolarHBondContact O-CB 3.2Å; Y364-R367 PolarHBondContact O-N 3.36Å; Y364-R367 VanDerWaalsContact O-N 3.08Å; R367-V369 PolarHBondContact O-N 3.04Å; R367-E370 PolarHBondContact O-N 3.42Å; R367-Q371 WeakPolarHBondContact O-CB 3.36Å; R367-Q371 WeakPolarHBondContact O-CG 3.5Å; R367-Q371 PolarHBondContact O-N 2.88Å
368	C	90.5	Very high	90.8	Very high	10 Å²	10	59.1 Å²	59.1	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-47.6	178.1	-68	0	0	0	0	111.5	Y160 Y364 P365 K366 Q371 L372	Y160-C368 HydrophobicContact CD1-CB 4.03Å; Y160-C368 HydrophobicContact CD2-CB 3.41Å; Y160-C368 VanDerWaalsContact CD2-CB 3.41Å; Y160-C368 HydrophobicContact CE1-CB 4.39Å; Y160-C368 HydrophobicContact CE2-CB 3.86Å; Y160-C368 HydrophobicContact CG-CB 3.53Å; Y364-C368 PolarHBondContact O-N 3.05Å; Y364-C368 PolarHBondContact O-SG 3.32Å; Y364-C368 VanDerWaalsContact O-SG 3.34Å; P365-C368 PolarHBondContact O-N 3.05Å; K366-C368 VanDerWaalsContact C-N 3.34Å; K366-C368 PolarHBondContact O-N 2.92Å; C368-Q371 PolarHBondContact O-N 3.35Å; C368-L372 WeakPolarHBondContact O-CB 3.46Å; C368-L372 VanDerWaalsContact O-CG 3.26Å; C368-L372 WeakPolarHBondContact O-CG 3.38Å; C368-L372 PolarHBondContact O-N 2.88Å
369	V	91.3	Very high	90.3	Very high	80 Å²	80	55.2 Å²	55.2	49%	0.485	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-46.7	177.7	176.5	0	0	0	0	111.4	Y160 P365 K366 R367 L372 A373	Y160-V369 HydrophobicContact CE1-CG2 3.83Å; P365-V369 PolarHBondContact O-N 3.49Å; K366-V369 PolarHBondContact O-N 3.42Å; R367-V369 PolarHBondContact O-N 3.04Å; V369-L372 PolarHBondContact O-N 3.23Å; V369-A373 PolarHBondContact O-N 3.44Å; V369-A373 VanDerWaalsContact O-N 3.11Å
370	E	90.4	Very high	89.9	Confident	83 Å²	83	58.8 Å²	58.8	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-44	178.3	-71.1	170.5	167.8	0	0	111.9	R314 K366 R367 A373 N374	R314-E370 IonicContact CZ-OE1 2.87Å; R314-E370 IonicContact CZ-OE2 2.69Å; R314-E370 IonicContact NH1-OE1 2.69Å; R314-E370 PolarHBondContact NH1-OE1 3.26Å; R314-E370 IonicContact NH1-OE2 3.59Å; R314-E370 PolarHBondContact NH1-OE2 2.95Å; R314-E370 IonicContact NH2-OE1 3.59Å; R314-E370 IonicContact NH2-OE2 3.7Å; R314-E370 PolarHBondContact NH2-OE2 3.11Å; K366-E370 WeakPolarHBondContact O-CB 3.28Å; K366-E370 VanDerWaalsContact O-CG 3.3Å; K366-E370 WeakPolarHBondContact O-CG 3.47Å; K366-E370 PolarHBondContact O-N 3.45Å; R367-E370 PolarHBondContact O-N 3.42Å; E370-A373 PolarHBondContact O-N 2.98Å; E370-N374 WeakPolarHBondContact O-CB 3.39Å; E370-N374 PolarHBondContact O-N 3.41Å; E370-N374 PolarHBondContact O-ND2 2.93Å
371	Q	87.2	Confident	89.5	Confident	97 Å²	97	63.4 Å²	63.4	45%	0.453	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-42.7	179.3	-75.5	175.8	8.2	0	0	112.1	R367 C368 A373 N374 W375	R367-Q371 WeakPolarHBondContact O-CB 3.36Å; R367-Q371 WeakPolarHBondContact O-CG 3.5Å; R367-Q371 PolarHBondContact O-N 2.88Å; C368-Q371 PolarHBondContact O-N 3.35Å; Q371-A373 VanDerWaalsContact C-N 3.34Å; Q371-A373 PolarHBondContact O-N 3.18Å; Q371-N374 PolarHBondContact O-N 2.87Å; Q371-W375 VanDerWaalsContact O-CB 3.24Å; Q371-W375 WeakPolarHBondContact O-CB 3.37Å; Q371-W375 PolarHBondContact O-N 2.9Å
372	L	85.4	Confident	89	Confident	90 Å²	90	64.1 Å²	64.1	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-46.5	175.3	-74.8	169.6	0	0	0	110.9	Y160 C368 V369 W375 H376	Y160-L372 HydrophobicContact CD1-CD1 4.31Å; C368-L372 WeakPolarHBondContact O-CB 3.46Å; C368-L372 VanDerWaalsContact O-CG 3.26Å; C368-L372 WeakPolarHBondContact O-CG 3.38Å; C368-L372 PolarHBondContact O-N 2.88Å; V369-L372 PolarHBondContact O-N 3.23Å; L372-W375 PolarHBondContact O-N 3.31Å; L372-H376 PolarHBondContact O-N 2.98Å; L372-H376 PolarHBondContact O-ND1 3.01Å
373	A	87	Confident	88.5	Confident	64 Å²	64	66.1 Å²	66.1	53%	0.529	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-45.1	178.5	0	0	0	0	0	112.5	V369 E370 Q371	V369-A373 PolarHBondContact O-N 3.44Å; V369-A373 VanDerWaalsContact O-N 3.11Å; E370-A373 PolarHBondContact O-N 2.98Å; Q371-A373 VanDerWaalsContact C-N 3.34Å; Q371-A373 PolarHBondContact O-N 3.18Å
374	N	86.7	Confident	88.1	Confident	98 Å²	98	73.8 Å²	73.8	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-39.9	178.5	-71.4	-24.9	0	0	0	111.9	E370 Q371 K377 E378	E370-N374 WeakPolarHBondContact O-CB 3.39Å; E370-N374 PolarHBondContact O-N 3.41Å; E370-N374 PolarHBondContact O-ND2 2.93Å; Q371-N374 PolarHBondContact O-N 2.87Å; N374-K377 WeakPolarHBondContact O-CB 3.23Å; N374-K377 PolarHBondContact O-N 3.24Å; N374-E378 PolarHBondContact O-N 3.37Å
375	W	83.6	Confident	87.7	Confident	29 Å²	29	73.6 Å²	73.6	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-46.5	-179.9	175.7	-114.4	0	0	0	112.6	T84 I85 V121 Q371 L372 K377 E378 L379 Y382	T84-W375 VanDerWaalsContact CB-CH2 3.4Å; T84-W375 HydrophobicContact CG2-CH2 3.16Å; T84-W375 HydrophobicContact CG2-CZ2 3.36Å; T84-W375 HydrophobicContact CG2-CZ3 4.15Å; I85-W375 HydrophobicContact CG1-CE3 4.11Å; V121-W375 HydrophobicContact CG2-CH2 4.22Å; Q371-W375 VanDerWaalsContact O-CB 3.24Å; Q371-W375 WeakPolarHBondContact O-CB 3.37Å; Q371-W375 PolarHBondContact O-N 2.9Å; L372-W375 PolarHBondContact O-N 3.31Å; W375-K377 PolarHBondContact O-N 2.86Å; W375-E378 HydrophobicContact CE3-CB 4.33Å; W375-E378 PolarHBondContact O-N 3.28Å; W375-E378 VanDerWaalsContact O-N 3.14Å; W375-L379 HydrophobicContact CH2-CB 4.43Å; W375-L379 HydrophobicContact CH2-CD1 4.32Å; W375-L379 HydrophobicContact CZ2-CB 4.01Å; W375-L379 HydrophobicContact CZ2-CD1 3.86Å; W375-L379 HydrophobicContact CZ2-CD2 4.42Å; W375-L379 HydrophobicContact CZ2-CG 4.3Å; W375-L379 WeakPolarHBondContact O-CB 3.41Å; W375-L379 PolarHBondContact O-N 3.3Å; W375-Y382 HydrophobicContact CZ3-CD2 4.46Å; W375-Y382 HydrophobicContact CZ3-CE2 4.26Å
376	H	83	Confident	87.2	Confident	125 Å²	125	78.8 Å²	78.8	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-56.6	-37	178.4	-77	69.6	0	0	0	111.5	L372 E380	L372-H376 PolarHBondContact O-N 2.98Å; L372-H376 PolarHBondContact O-ND1 3.01Å; H376-E380 WeakPolarHBondContact O-CG 3.48Å; H376-E380 PolarHBondContact O-N 3.47Å
377	K	86.4	Confident	86.9	Confident	137 Å²	137	81 Å²	81	60%	0.596	40%	0.404	S	S	*	.	H	α-helix	trans	-70.4	-50	176	-173.2	-174.1	173.4	-167.7	0	112	N374 W375 L379 E380 E381	N374-K377 WeakPolarHBondContact O-CB 3.23Å; N374-K377 PolarHBondContact O-N 3.24Å; W375-K377 PolarHBondContact O-N 2.86Å; K377-L379 VanDerWaalsContact C-N 3.33Å; K377-L379 PolarHBondContact O-N 2.79Å; K377-E380 PolarHBondContact O-N 3.46Å; K377-E381 VanDerWaalsContact CE-OE1 3.29Å; K377-E381 WeakPolarHBondContact CE-OE1 3.41Å; K377-E381 WeakPolarHBondContact O-CG 3.35Å; K377-E381 PolarHBondContact O-N 3.42Å; K377-E381 VanDerWaalsContact O-N 3.15Å
378	E	86.1	Confident	86.6	Confident	64 Å²	64	78.9 Å²	78.9	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-43.6	179.1	-76.1	-170.3	-176.3	0	0	111.9	K88 N374 W375 E380 E381 Y382	K88-E378 IonicContact NZ-OE2 2.83Å; K88-E378 PolarHBondContact NZ-OE2 3.12Å; N374-E378 PolarHBondContact O-N 3.37Å; W375-E378 HydrophobicContact CE3-CB 4.33Å; W375-E378 PolarHBondContact O-N 3.28Å; W375-E378 VanDerWaalsContact O-N 3.14Å; E378-E380 VanDerWaalsContact C-N 3.34Å; E378-E380 PolarHBondContact O-N 3.29Å; E378-E381 WeakPolarHBondContact O-CB 3.41Å; E378-E381 PolarHBondContact O-N 3.3Å; E378-Y382 HydrophobicContact CB-CD2 4.29Å; E378-Y382 HydrophobicContact CB-CE2 3.9Å; E378-Y382 WeakPolarHBondContact O-CB 3.42Å; E378-Y382 VanDerWaalsContact O-CD2 3.23Å; E378-Y382 WeakPolarHBondContact O-CD2 3.4Å; E378-Y382 VanDerWaalsContact O-CG 3.27Å; E378-Y382 PolarHBondContact O-N 2.9Å
379	L	85	Confident	86.2	Confident	6 Å²	6	83.8 Å²	83.8	3%	0.031	42%	0.422	C	S	.	.	H	α-helix	trans	-60.9	-42.9	179.8	178.4	64.6	0	0	0	111.9	E117 V121 W375 K377 E381 Y382 K383	E117-L379 HydrophobicContact CB-CD1 4.14Å; E117-L379 HydrophobicContact CB-CD2 4.16Å; E117-L379 HydrophobicContact CG-CD1 4.38Å; E117-L379 HydrophobicContact CG-CD2 3.67Å; E117-L379 WeakPolarHBondContact OE1-CD2 3.3Å; E117-L379 WeakPolarHBondContact OE2-CD2 3.49Å; V121-L379 HydrophobicContact CG2-CD1 3.98Å; W375-L379 HydrophobicContact CH2-CB 4.43Å; W375-L379 HydrophobicContact CH2-CD1 4.32Å; W375-L379 HydrophobicContact CZ2-CB 4.01Å; W375-L379 HydrophobicContact CZ2-CD1 3.86Å; W375-L379 HydrophobicContact CZ2-CD2 4.42Å; W375-L379 HydrophobicContact CZ2-CG 4.3Å; W375-L379 WeakPolarHBondContact O-CB 3.41Å; W375-L379 PolarHBondContact O-N 3.3Å; K377-L379 VanDerWaalsContact C-N 3.33Å; K377-L379 PolarHBondContact O-N 2.79Å; L379-E381 VanDerWaalsContact C-N 3.31Å; L379-E381 PolarHBondContact O-N 2.96Å; L379-Y382 PolarHBondContact O-N 3.03Å; L379-K383 HydrophobicContact CD1-CG 4.4Å; L379-K383 HydrophobicContact CG-CD 4.32Å; L379-K383 WeakPolarHBondContact O-CB 3.35Å; L379-K383 WeakPolarHBondContact O-CG 3.44Å; L379-K383 PolarHBondContact O-N 2.75Å
380	E	86.3	Confident	85.6	Confident	82 Å²	82	81.5 Å²	81.5	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-34.4	177.1	-75.3	-58.7	120.6	0	0	112.5	H376 K377 E378 K383 K384	H376-E380 WeakPolarHBondContact O-CG 3.48Å; H376-E380 PolarHBondContact O-N 3.47Å; K377-E380 PolarHBondContact O-N 3.46Å; E378-E380 VanDerWaalsContact C-N 3.34Å; E378-E380 PolarHBondContact O-N 3.29Å; E380-K383 WeakPolarHBondContact OE1-CD 3.38Å; E380-K383 IonicContact OE1-NZ 3.45Å; E380-K383 PolarHBondContact OE1-NZ 3.29Å; E380-K383 VanDerWaalsContact OE1-NZ 3.11Å; E380-K384 WeakPolarHBondContact O-CD 3.38Å; E380-K384 WeakPolarHBondContact O-CG 3.19Å; E380-K384 PolarHBondContact O-N 2.69Å; E380-K384 IonicContact OE2-NZ 2.89Å
381	E	87.9	Confident	85.3	Confident	107 Å²	107	86.4 Å²	86.4	50%	0.5	43%	0.427	S	S	.	.	H	α-helix	trans	-67	-46.5	171.7	-69.3	175.1	-174.5	0	0	110.8	K377 E378 L379 K383 K384 A385	K377-E381 VanDerWaalsContact CE-OE1 3.29Å; K377-E381 WeakPolarHBondContact CE-OE1 3.41Å; K377-E381 WeakPolarHBondContact O-CG 3.35Å; K377-E381 PolarHBondContact O-N 3.42Å; K377-E381 VanDerWaalsContact O-N 3.15Å; E378-E381 WeakPolarHBondContact O-CB 3.41Å; E378-E381 PolarHBondContact O-N 3.3Å; L379-E381 VanDerWaalsContact C-N 3.31Å; L379-E381 PolarHBondContact O-N 2.96Å; E381-K383 PolarHBondContact O-N 2.7Å; E381-K384 PolarHBondContact O-N 2.89Å; E381-K384 VanDerWaalsContact O-N 3.14Å; E381-A385 WeakPolarHBondContact O-CB 3.03Å; E381-A385 PolarHBondContact O-N 3.48Å
382	Y	86.6	Confident	85.1	Confident	42 Å²	42	85.6 Å²	85.6	17%	0.165	43%	0.43	C	S	.	.	H	α-helix	trans	-63.5	-39.2	178.1	-68.3	-34.6	0	0	0	113	K88 V121 K124 W375 E378 L379 K384 A385 I388	K88-Y382 HydrophobicContact CD-CE2 3.77Å; K88-Y382 PolarHBondContact NZ-OH 2.93Å; V121-Y382 HydrophobicContact CG2-CD2 4.35Å; K124-Y382 WeakPolarHBondContact CD-O 3.48Å; K124-Y382 PolarHBondContact NZ-O 3.24Å; W375-Y382 HydrophobicContact CZ3-CD2 4.46Å; W375-Y382 HydrophobicContact CZ3-CE2 4.26Å; E378-Y382 HydrophobicContact CB-CD2 4.29Å; E378-Y382 HydrophobicContact CB-CE2 3.9Å; E378-Y382 WeakPolarHBondContact O-CB 3.42Å; E378-Y382 VanDerWaalsContact O-CD2 3.23Å; E378-Y382 WeakPolarHBondContact O-CD2 3.4Å; E378-Y382 VanDerWaalsContact O-CG 3.27Å; E378-Y382 PolarHBondContact O-N 2.9Å; L379-Y382 PolarHBondContact O-N 3.03Å; Y382-K384 PolarHBondContact O-N 3.16Å; Y382-A385 PolarHBondContact O-N 2.76Å; Y382-I388 HydrophobicContact CD1-CD1 3.6Å; Y382-I388 HydrophobicContact CD1-CG1 3.84Å; Y382-I388 HydrophobicContact CD1-CG2 3.95Å; Y382-I388 HydrophobicContact CE1-CD1 4.38Å; Y382-I388 HydrophobicContact CE1-CG1 4.46Å; Y382-I388 HydrophobicContact CE1-CG2 3.72Å; Y382-I388 HydrophobicContact CG-CD1 3.76Å; Y382-I388 HydrophobicContact CG-CG1 4.48Å
383	K	84.6	Confident	85.1	Confident	77 Å²	77	83.3 Å²	83.3	34%	0.335	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-34.8	174.3	-77.7	173.8	-174.7	166.1	0	112.1	I120 K124 L379 E380 E381	I120-K383 HydrophobicContact CG2-CG 4.39Å; K124-K383 VanDerWaalsContact NZ-C 3.26Å; K124-K383 PolarHBondContact NZ-O 3.37Å; L379-K383 HydrophobicContact CD1-CG 4.4Å; L379-K383 HydrophobicContact CG-CD 4.32Å; L379-K383 WeakPolarHBondContact O-CB 3.35Å; L379-K383 WeakPolarHBondContact O-CG 3.44Å; L379-K383 PolarHBondContact O-N 2.75Å; E380-K383 WeakPolarHBondContact OE1-CD 3.38Å; E380-K383 IonicContact OE1-NZ 3.45Å; E380-K383 PolarHBondContact OE1-NZ 3.29Å; E380-K383 VanDerWaalsContact OE1-NZ 3.11Å; E381-K383 PolarHBondContact O-N 2.7Å
384	K	87.4	Confident	85	Confident	162 Å²	162	87.6 Å²	87.6	70%	0.704	42%	0.424	S	S	*	.	H	α-helix	trans	-86.9	-26.7	179.9	-67.1	167.8	-168.6	161.8	0	113.5	E380 E381 Y382	E380-K384 WeakPolarHBondContact O-CD 3.38Å; E380-K384 WeakPolarHBondContact O-CG 3.19Å; E380-K384 PolarHBondContact O-N 2.69Å; E380-K384 IonicContact OE2-NZ 2.89Å; E381-K384 PolarHBondContact O-N 2.89Å; E381-K384 VanDerWaalsContact O-N 3.14Å; Y382-K384 PolarHBondContact O-N 3.16Å
385	A	86	Confident	85.2	Confident	31 Å²	31	84 Å²	84	26%	0.256	40%	0.404	S	S	.	.			trans	-65.5	137.6	-179.8	0	0	0	0	0	111.5	K124 E381 Y382 R387	K124-A385 PolarHBondContact NZ-O 3.45Å; E381-A385 WeakPolarHBondContact O-CB 3.03Å; E381-A385 PolarHBondContact O-N 3.48Å; Y382-A385 PolarHBondContact O-N 2.76Å; A385-R387 VanDerWaalsContact C-N 3.33Å
386	S	84.9	Confident	85.8	Confident	128 Å²	128	83.6 Å²	83.6	90%	0.895	40%	0.403	S	S	*	.	S	Bend	trans	-77.7	-21.8	171.9	53.3	0	0	0	0	112.7
387	R	86.7	Confident	86.5	Confident	135 Å²	135	77.7 Å²	77.7	51%	0.509	38%	0.375	S	S	.	.			trans	-147	144.3	-176.7	-169.5	178.7	167.7	104.6	12.3	109.5	S128 A385 D389	S128-R387 VanDerWaalsContact O-CZ 3.23Å; S128-R387 PolarHBondContact O-NH1 2.81Å; S128-R387 PolarHBondContact O-NH2 2.91Å; S128-R387 WeakPolarHBondContact OG-CA 3.46Å; S128-R387 VanDerWaalsContact OG-CG 3.23Å; S128-R387 WeakPolarHBondContact OG-CG 3.48Å; A385-R387 VanDerWaalsContact C-N 3.33Å; R387-D389 VanDerWaalsContact CD-OD2 3.28Å; R387-D389 WeakPolarHBondContact CD-OD2 3.18Å; R387-D389 IonicContact CZ-OD1 2.74Å; R387-D389 IonicContact CZ-OD2 2.82Å; R387-D389 IonicContact NE-OD1 3.1Å; R387-D389 PolarHBondContact NE-OD1 2.86Å; R387-D389 IonicContact NE-OD2 3.82Å; R387-D389 PolarHBondContact NE-OD2 2.95Å; R387-D389 IonicContact NH2-OD1 2.78Å; R387-D389 PolarHBondContact NH2-OD1 3.08Å
388	I	85	Confident	86.9	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.046	35%	0.348	C	S	.	.			trans	-124.6	101.5	174.9	-53.9	177.2	0	0	0	107.5	K124 L125 S128 Y382 I390	K124-I388 HydrophobicContact CB-CD1 3.65Å; K124-I388 HydrophobicContact CB-CG1 4.05Å; K124-I388 HydrophobicContact CD-CD1 4.01Å; K124-I388 HydrophobicContact CD-CG1 4.46Å; K124-I388 HydrophobicContact CG-CD1 4.49Å; L125-I388 HydrophobicContact CD2-CB 3.96Å; L125-I388 HydrophobicContact CD2-CG2 3.63Å; S128-I388 VanDerWaalsContact CB-O 3.29Å; S128-I388 WeakPolarHBondContact CB-O 3.16Å; S128-I388 PolarHBondContact OG-N 3.1Å; S128-I388 PolarHBondContact OG-O 3.11Å; Y382-I388 HydrophobicContact CD1-CD1 3.6Å; Y382-I388 HydrophobicContact CD1-CG1 3.84Å; Y382-I388 HydrophobicContact CD1-CG2 3.95Å; Y382-I388 HydrophobicContact CE1-CD1 4.38Å; Y382-I388 HydrophobicContact CE1-CG1 4.46Å; Y382-I388 HydrophobicContact CE1-CG2 3.72Å; Y382-I388 HydrophobicContact CG-CD1 3.76Å; Y382-I388 HydrophobicContact CG-CG1 4.48Å; I388-I390 HydrophobicContact CG2-CD1 3.96Å; I388-I390 HydrophobicContact CG2-CG1 3.77Å
389	D	82	Confident	87.4	Confident	114 Å²	114	69.1 Å²	69.1	61%	0.61	34%	0.339	S	S	*	.			trans	-95.8	113.4	174.3	-67.1	-60.7	0	0	0	109.6	R387	R387-D389 VanDerWaalsContact CD-OD2 3.28Å; R387-D389 WeakPolarHBondContact CD-OD2 3.18Å; R387-D389 IonicContact CZ-OD1 2.74Å; R387-D389 IonicContact CZ-OD2 2.82Å; R387-D389 IonicContact NE-OD1 3.1Å; R387-D389 PolarHBondContact NE-OD1 2.86Å; R387-D389 IonicContact NE-OD2 3.82Å; R387-D389 PolarHBondContact NE-OD2 2.95Å; R387-D389 IonicContact NH2-OD1 2.78Å; R387-D389 PolarHBondContact NH2-OD1 3.08Å
390	I	79.7	Confident	88.1	Confident	32 Å²	32	68.9 Å²	68.9	16%	0.164	34%	0.338	C	S	.	.			trans	-109.9	133.5	178.3	-55.4	-166.9	0	0	0	108.4	K88 H96 L125 I388	K88-I390 HydrophobicContact CD-CD1 3.54Å; K88-I390 HydrophobicContact CG-CD1 3.14Å; H96-I390 PolarHBondContact CE1-O 3.13Å; H96-I390 PolarHBondContact NE2-O 2.82Å; L125-I390 HydrophobicContact CD1-CD1 4.39Å; L125-I390 HydrophobicContact CD2-CD1 3.41Å; L125-I390 VanDerWaalsContact CD2-CD1 3.41Å; L125-I390 HydrophobicContact CD2-CG1 3.67Å; I388-I390 HydrophobicContact CG2-CD1 3.96Å; I388-I390 HydrophobicContact CG2-CG1 3.77Å
391	K	84	Confident	88.6	Confident	186 Å²	186	65 Å²	65	81%	0.809	32%	0.32	S	S	*	.			trans	-71.8	145.5	171.7	-68	-177.5	179.7	179.1	0	109.3	S393	K391-S393 PolarHBondContact O-N 2.98Å; K391-S393 VanDerWaalsContact O-N 3.11Å
392	P	83.4	Confident	89.1	Confident	80 Å²	80	60.2 Å²	60.2	52%	0.519	30%	0.298	S	S	.	.			trans	-52	121.3	178	-28	34.7	0	0	0	112.1	D93 R394	D93-P392 WeakPolarHBondContact OD1-CA 3.48Å; P392-R394 VanDerWaalsContact C-N 3.28Å
393	S	84.9	Confident	89.7	Confident	42 Å²	42	58.2 Å²	58.2	29%	0.294	29%	0.29	S	S	.	.			trans	-77.4	-14.7	178.4	46.6	0	0	0	0	113.3	N89 D93 K391 E395	N89-S393 WeakPolarHBondContact CB-OG 3.42Å; N89-S393 PolarHBondContact O-OG 2.87Å; D93-S393 PolarHBondContact OD1-N 3.14Å; D93-S393 PolarHBondContact OD1-OG 3.3Å; D93-S393 PolarHBondContact OD2-N 3.25Å; D93-S393 PolarHBondContact OD2-OG 3.06Å; K391-S393 PolarHBondContact O-N 2.98Å; K391-S393 VanDerWaalsContact O-N 3.11Å; S393-E395 VanDerWaalsContact C-N 3.31Å
394	R	85.6	Confident	90.3	Very high	153 Å²	153	56.1 Å²	56.1	58%	0.577	28%	0.282	S	S	*	.			trans	67.3	30.8	-178.6	-50.9	177.5	172.5	-174.5	-5.3	112.9	D93 E250 P392 Y396	D93-R394 PolarHBondContact OD2-N 3.19Å; E250-R394 WeakPolarHBondContact OE1-CD 3.42Å; E250-R394 IonicContact OE1-CZ 3.41Å; E250-R394 IonicContact OE1-NE 3.68Å; E250-R394 IonicContact OE1-NH1 2.82Å; E250-R394 PolarHBondContact OE1-NH1 3.09Å; P392-R394 VanDerWaalsContact C-N 3.28Å; R394-Y396 PolarHBondContact O-N 3.03Å
395	E	90.8	Very high	90.8	Very high	24 Å²	24	51 Å²	51	11%	0.112	26%	0.258	C	S	.	.			trans	-66.5	130.5	174.8	-73.4	-65	167.2	0	0	110.7	N89 I90 D93 Y218 S393 A397 S398	N89-E395 HydrophobicContact CB-CG 4.28Å; I90-E395 HydrophobicContact CG1-CB 4.07Å; I90-E395 HydrophobicContact CG1-CG 4.01Å; D93-E395 PolarHBondContact OD2-N 2.83Å; Y218-E395 VanDerWaalsContact CE1-OE2 3.28Å; Y218-E395 WeakPolarHBondContact CE1-OE2 3.4Å; Y218-E395 PolarHBondContact OH-OE2 2.68Å; S393-E395 VanDerWaalsContact C-N 3.31Å; E395-A397 PolarHBondContact O-N 2.91Å; E395-S398 PolarHBondContact O-N 3.27Å; E395-S398 PolarHBondContact O-OG 2.65Å
396	Y	95.3	Very high	91.3	Very high	20 Å²	20	52 Å²	52	8%	0.078	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-27.2	-177.5	-78.3	-28.7	0	0	0	113.2	L241 Q246 R394 S398 T399 I400 I412 Y413	L241-Y396 HydrophobicContact CD2-CD2 4.34Å; Q246-Y396 VanDerWaalsContact OE1-CE2 3.25Å; Q246-Y396 PolarHBondContact OE1-OH 3.33Å; R394-Y396 PolarHBondContact O-N 3.03Å; Y396-S398 VanDerWaalsContact C-N 3.33Å; Y396-S398 PolarHBondContact O-N 3.49Å; Y396-T399 WeakPolarHBondContact O-CB 3.28Å; Y396-T399 PolarHBondContact O-N 2.96Å; Y396-T399 VanDerWaalsContact O-N 3.1Å; Y396-I400 WeakPolarHBondContact O-CD1 3.36Å; Y396-I400 VanDerWaalsContact O-CG1 3.29Å; Y396-I400 WeakPolarHBondContact O-CG1 3.37Å; Y396-I400 PolarHBondContact O-N 3.23Å; Y396-I412 HydrophobicContact CD1-CB 3.9Å; Y396-I412 HydrophobicContact CD1-CG2 3.44Å; Y396-I412 VanDerWaalsContact CD1-CG2 3.44Å; Y396-I412 HydrophobicContact CD2-CB 4.03Å; Y396-I412 HydrophobicContact CD2-CG2 4.41Å; Y396-I412 HydrophobicContact CE1-CB 3.99Å; Y396-I412 HydrophobicContact CE1-CG2 3.79Å; Y396-I412 HydrophobicContact CE2-CB 4.11Å; Y396-I412 HydrophobicContact CG-CB 3.93Å; Y396-I412 HydrophobicContact CG-CG2 3.79Å; Y396-Y413 WeakPolarHBondContact CE2-O 3.39Å
397	A	96.9	Very high	91.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-52.3	-49.9	177.4	0	0	0	0	0	112.7	I90 L216 Y218 E395 T399 I400 M401	I90-A397 HydrophobicContact CD1-CB 4.37Å; I90-A397 HydrophobicContact CG1-CB 4.34Å; I90-A397 HydrophobicContact CG2-CB 3.76Å; L216-A397 HydrophobicContact CD1-CB 4Å; Y218-A397 HydrophobicContact CE2-CB 3.88Å; Y218-A397 WeakPolarHBondContact OH-CB 3.4Å; Y218-A397 PolarHBondContact OH-N 3.21Å; E395-A397 PolarHBondContact O-N 2.91Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 3.35Å; A397-I400 PolarHBondContact O-N 3.35Å; A397-M401 VanDerWaalsContact C-CE 3.41Å; A397-M401 HydrophobicContact CB-CE 3.79Å; A397-M401 WeakPolarHBondContact O-CB 3.25Å; A397-M401 VanDerWaalsContact O-CE 3.22Å; A397-M401 WeakPolarHBondContact O-CE 3.28Å; A397-M401 VanDerWaalsContact O-CG 3.29Å; A397-M401 WeakPolarHBondContact O-CG 3.3Å; A397-M401 PolarHBondContact O-N 3.25Å
398	S	96.3	Very high	92.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-37.3	179.8	72	0	0	0	0	112.3	D93 E395 Y396 N402	D93-S398 WeakPolarHBondContact CB-OG 3.39Å; E395-S398 PolarHBondContact O-N 3.27Å; E395-S398 PolarHBondContact O-OG 2.65Å; Y396-S398 VanDerWaalsContact C-N 3.33Å; Y396-S398 PolarHBondContact O-N 3.49Å; S398-N402 VanDerWaalsContact O-CB 3.28Å; S398-N402 WeakPolarHBondContact O-CB 3.41Å; S398-N402 PolarHBondContact O-N 2.67Å
399	T	96.8	Very high	93	Very high	20 Å²	20	49.8 Å²	49.8	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-45.7	178	-61	0	0	0	0	110.9	R97 Y396 A397 N402 A403 S410 I412	R97-T399 PolarHBondContact NH2-OG1 2.85Å; Y396-T399 WeakPolarHBondContact O-CB 3.28Å; Y396-T399 PolarHBondContact O-N 2.96Å; Y396-T399 VanDerWaalsContact O-N 3.1Å; A397-T399 VanDerWaalsContact C-N 3.31Å; A397-T399 PolarHBondContact O-N 3.35Å; T399-N402 PolarHBondContact O-N 2.79Å; T399-A403 VanDerWaalsContact O-CB 3.25Å; T399-A403 WeakPolarHBondContact O-CB 3.23Å; T399-A403 PolarHBondContact O-N 3.14Å; T399-S410 VanDerWaalsContact CG2-CB 3.48Å; T399-I412 HydrophobicContact CG2-CG2 4.08Å
400	I	98.4	Very high	93.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-49.7	178.7	-68.1	160.3	0	0	0	110.3	L216 V239 L241 Y396 A397 N402 A403 I404 I412 V437 I442	L216-I400 HydrophobicContact CD2-CB 4.37Å; L216-I400 HydrophobicContact CD2-CD1 4.2Å; L216-I400 HydrophobicContact CD2-CG2 3.74Å; V239-I400 HydrophobicContact CG1-CD1 4.08Å; L241-I400 HydrophobicContact CD1-CD1 3.84Å; L241-I400 HydrophobicContact CD2-CD1 3.64Å; L241-I400 HydrophobicContact CG-CD1 4.38Å; Y396-I400 WeakPolarHBondContact O-CD1 3.36Å; Y396-I400 VanDerWaalsContact O-CG1 3.29Å; Y396-I400 WeakPolarHBondContact O-CG1 3.37Å; Y396-I400 PolarHBondContact O-N 3.23Å; A397-I400 PolarHBondContact O-N 3.35Å; I400-N402 PolarHBondContact O-N 2.92Å; I400-A403 PolarHBondContact O-N 3.22Å; I400-I404 HydrophobicContact CG2-CD1 3.67Å; I400-I404 HydrophobicContact CG2-CG1 4.35Å; I400-I404 WeakPolarHBondContact O-CG1 3.49Å; I400-I404 PolarHBondContact O-N 2.94Å; I400-I412 HydrophobicContact CD1-CD1 4.43Å; I400-I412 HydrophobicContact CD1-CG1 4.19Å; I400-I412 HydrophobicContact CG1-CG1 4.13Å; I400-I412 HydrophobicContact CG1-CG2 4.17Å; I400-V437 HydrophobicContact CB-CG1 4.49Å; I400-V437 HydrophobicContact CG1-CG2 4.34Å; I400-V437 HydrophobicContact CG2-CG1 4.14Å; I400-I442 HydrophobicContact CG2-CD1 4.1Å; I400-I442 HydrophobicContact CG2-CG1 4.33Å
401	M	98.3	Very high	94.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-47.8	178.2	-71.8	-176.2	-91.5	0	0	111.3	I76 I90 V94 L100 F150 V152 L216 A397 A403 W405	I76-M401 HydrophobicContact CB-SD 4.44Å; I76-M401 HydrophobicContact CD1-SD 3.6Å; I76-M401 VanDerWaalsContact CD1-SD 3.6Å; I76-M401 HydrophobicContact CG1-SD 3.77Å; I76-M401 HydrophobicContact CG2-SD 3.8Å; I90-M401 HydrophobicContact CG2-CE 4.24Å; V94-M401 HydrophobicContact CG2-CE 3.55Å; V94-M401 HydrophobicContact CG2-SD 4.33Å; L100-M401 HydrophobicContact CD1-CB 3.92Å; F150-M401 HydrophobicContact CB-CG 4.08Å; F150-M401 HydrophobicContact CB-SD 3.96Å; F150-M401 HydrophobicContact CD1-CB 4.49Å; F150-M401 HydrophobicContact CD1-CG 3.72Å; F150-M401 HydrophobicContact CD2-CB 4.36Å; F150-M401 HydrophobicContact CD2-CG 3.9Å; F150-M401 HydrophobicContact CD2-SD 4.21Å; F150-M401 HydrophobicContact CE1-CB 4.39Å; F150-M401 HydrophobicContact CE1-CG 4.09Å; F150-M401 HydrophobicContact CE2-CB 4.26Å; F150-M401 HydrophobicContact CE2-CG 4.25Å; F150-M401 HydrophobicContact CG-CB 4.47Å; F150-M401 HydrophobicContact CG-CG 3.62Å; F150-M401 HydrophobicContact CG-SD 4.05Å; F150-M401 HydrophobicContact CZ-CB 4.27Å; F150-M401 HydrophobicContact CZ-CG 4.34Å; V152-M401 HydrophobicContact CG2-CE 4.37Å; L216-M401 HydrophobicContact CD1-CE 4.07Å; L216-M401 HydrophobicContact CD1-CG 3.85Å; L216-M401 HydrophobicContact CD1-SD 4.29Å; A397-M401 VanDerWaalsContact C-CE 3.41Å; A397-M401 HydrophobicContact CB-CE 3.79Å; A397-M401 WeakPolarHBondContact O-CB 3.25Å; A397-M401 VanDerWaalsContact O-CE 3.22Å; A397-M401 WeakPolarHBondContact O-CE 3.28Å; A397-M401 VanDerWaalsContact O-CG 3.29Å; A397-M401 WeakPolarHBondContact O-CG 3.3Å; A397-M401 PolarHBondContact O-N 3.25Å; M401-A403 PolarHBondContact O-N 3.5Å; M401-W405 WeakPolarHBondContact O-CB 3.24Å; M401-W405 PolarHBondContact O-N 2.77Å
402	N	97.6	Very high	95.3	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-46.8	177.2	-175.1	86.7	0	0	0	111.8	R97 L100 S398 T399 I400 W405 T406 E408	R97-N402 HydrophobicContact CG-CB 4.23Å; L100-N402 HydrophobicContact CD1-CB 4.44Å; S398-N402 VanDerWaalsContact O-CB 3.28Å; S398-N402 WeakPolarHBondContact O-CB 3.41Å; S398-N402 PolarHBondContact O-N 2.67Å; T399-N402 PolarHBondContact O-N 2.79Å; I400-N402 PolarHBondContact O-N 2.92Å; N402-W405 PolarHBondContact O-N 3.49Å; N402-T406 WeakPolarHBondContact O-CB 3.33Å; N402-T406 WeakPolarHBondContact O-CG2 3.38Å; N402-T406 PolarHBondContact O-N 2.92Å; N402-T406 PolarHBondContact O-OG1 3.05Å; N402-E408 PolarHBondContact ND2-OE2 2.96Å; N402-E408 VanDerWaalsContact ND2-OE2 3.14Å
403	A	98.3	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-43.3	-176.2	0	0	0	0	0	112.8	T399 I400 M401 G407 E408 V437 D438	T399-A403 VanDerWaalsContact O-CB 3.25Å; T399-A403 WeakPolarHBondContact O-CB 3.23Å; T399-A403 PolarHBondContact O-N 3.14Å; I400-A403 PolarHBondContact O-N 3.22Å; M401-A403 PolarHBondContact O-N 3.5Å; A403-G407 WeakPolarHBondContact O-CA 3.22Å; A403-G407 PolarHBondContact O-N 2.8Å; A403-E408 WeakPolarHBondContact CA-O 3.29Å; A403-E408 WeakPolarHBondContact CB-O 3.38Å; A403-V437 HydrophobicContact CB-CB 4.08Å; A403-V437 HydrophobicContact CB-CG1 3.79Å; A403-D438 CarbonylContact O-C 3.39Å
404	I	98.2	Very high	96.6	Very high	33 Å²	33	34.6 Å²	34.6	17%	0.169	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-44.2	175.2	-65.1	177.8	0	0	0	110.6	F150 T214 I400 V437 D438 I442	F150-I404 HydrophobicContact CE1-CB 4.02Å; F150-I404 HydrophobicContact CE1-CD1 4.15Å; F150-I404 HydrophobicContact CE1-CG2 3.97Å; F150-I404 HydrophobicContact CZ-CB 4.12Å; F150-I404 HydrophobicContact CZ-CG2 4.02Å; T214-I404 HydrophobicContact CG2-CD1 4.32Å; I400-I404 HydrophobicContact CG2-CD1 3.67Å; I400-I404 HydrophobicContact CG2-CG1 4.35Å; I400-I404 WeakPolarHBondContact O-CG1 3.49Å; I400-I404 PolarHBondContact O-N 2.94Å; I404-V437 HydrophobicContact CD1-CG1 4.19Å; I404-V437 HydrophobicContact CG1-CG1 3.67Å; I404-D438 WeakPolarHBondContact CA-O 3.38Å; I404-I442 HydrophobicContact CD1-CG1 4.21Å
405	W	97.4	Very high	97.2	Very high	54 Å²	54	27.3 Å²	27.3	21%	0.205	16%	0.155	C	C	.	.	H	α-helix	trans	-71.2	-37.8	-173.9	-166.8	-103.4	0	0	0	113.6	M71 S72 P74 L100 D149 F150 M401 N402	M71-W405 HydrophobicContact CB-CZ2 4.38Å; S72-W405 WeakPolarHBondContact O-CH2 3.37Å; S72-W405 WeakPolarHBondContact O-CZ2 3.38Å; P74-W405 HydrophobicContact CB-CD2 3.88Å; P74-W405 HydrophobicContact CB-CE3 3.75Å; P74-W405 HydrophobicContact CB-CH2 4.1Å; P74-W405 HydrophobicContact CB-CZ2 4.28Å; P74-W405 HydrophobicContact CB-CZ3 3.82Å; P74-W405 HydrophobicContact CG-CD2 4Å; P74-W405 HydrophobicContact CG-CE3 4.38Å; P74-W405 HydrophobicContact CG-CG 4.37Å; L100-W405 HydrophobicContact CD2-CB 4.26Å; L100-W405 HydrophobicContact CD2-CG 4.2Å; D149-W405 HydrophobicContact CB-CZ3 4.42Å; F150-W405 AromaticContact CE2-CE3 3.99Å; F150-W405 HydrophobicContact CE2-CE3 3.99Å; F150-W405 HydrophobicContact CZ-CB 4.42Å; F150-W405 HydrophobicContact CZ-CE3 4.28Å; M401-W405 WeakPolarHBondContact O-CB 3.24Å; M401-W405 PolarHBondContact O-N 2.77Å; N402-W405 PolarHBondContact O-N 3.49Å
406	T	97.2	Very high	97.6	Very high	53 Å²	53	26.4 Å²	26.4	33%	0.325	15%	0.15	S	C	.	.	H	α-helix	trans	-101.7	-19.5	-174.4	63.6	0	0	0	0	114	A99 N402 E408	A99-T406 HydrophobicContact CB-CG2 3.31Å; N402-T406 WeakPolarHBondContact O-CB 3.33Å; N402-T406 WeakPolarHBondContact O-CG2 3.38Å; N402-T406 PolarHBondContact O-N 2.92Å; N402-T406 PolarHBondContact O-OG1 3.05Å; T406-E408 PolarHBondContact O-N 3.03Å; T406-E408 VanDerWaalsContact OG1-CB 3.31Å; T406-E408 WeakPolarHBondContact OG1-CB 3.45Å; T406-E408 PolarHBondContact OG1-N 2.78Å; T406-E408 VanDerWaalsContact OG1-N 3.09Å
407	G	97.1	Very high	97.7	Very high	28 Å²	28	29.8 Å²	29.8	29%	0.289	16%	0.163	S	C	.	.			trans	75.9	1.7	-166.9	0	0	0	0	0	114.8	A403 P409	A403-G407 WeakPolarHBondContact O-CA 3.22Å; A403-G407 PolarHBondContact O-N 2.8Å; G407-P409 VanDerWaalsContact O-CD 3.31Å; G407-P409 WeakPolarHBondContact O-CD 3.14Å
408	E	97.7	Very high	97.8	Very high	112 Å²	112	29.8 Å²	29.8	52%	0.523	16%	0.163	S	C	.	.			trans	-67.2	112.6	173.1	-174.4	-174.2	-178.8	0	0	109.8	N402 A403 T406	N402-E408 PolarHBondContact ND2-OE2 2.96Å; N402-E408 VanDerWaalsContact ND2-OE2 3.14Å; A403-E408 WeakPolarHBondContact CA-O 3.29Å; A403-E408 WeakPolarHBondContact CB-O 3.38Å; T406-E408 PolarHBondContact O-N 3.03Å; T406-E408 VanDerWaalsContact OG1-CB 3.31Å; T406-E408 WeakPolarHBondContact OG1-CB 3.45Å; T406-E408 PolarHBondContact OG1-N 2.78Å; T406-E408 VanDerWaalsContact OG1-N 3.09Å
409	P	98	Very high	97.8	Very high	85 Å²	85	34.2 Å²	34.2	55%	0.552	19%	0.187	S	C	*	.			trans	-69.1	143.3	-170.4	28.2	-34.9	0	0	0	111.7	G407 L436 V437 D438	G407-P409 VanDerWaalsContact O-CD 3.31Å; G407-P409 WeakPolarHBondContact O-CD 3.14Å; P409-L436 HydrophobicContact CB-CD1 4.16Å; P409-V437 CarbonylContact C-O 3.57Å; P409-V437 VanDerWaalsContact CA-O 3.31Å; P409-V437 WeakPolarHBondContact CA-O 3.31Å; P409-D438 HydrophobicContact CB-CB 4.34Å
410	S	97.4	Very high	97.9	Very high	26 Å²	26	34.5 Å²	34.5	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	159.5	173.8	-72.5	0	0	0	0	110.9	T399 V437	T399-S410 VanDerWaalsContact CG2-CB 3.48Å; S410-V437 PolarHBondContact N-O 2.91Å; S410-V437 PolarHBondContact O-N 2.84Å
411	V	97.1	Very high	97.9	Very high	95 Å²	95	35.3 Å²	35.3	58%	0.576	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	172.2	178.4	0	0	0	0	108.9	A434 C435	V411-A434 HydrophobicContact CG1-CB 4.25Å; V411-C435 WeakPolarHBondContact CA-O 3.47Å
412	I	97.8	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	164.1	173.4	62.4	85.1	0	0	0	109.4	V239 Y396 T399 I400 A434 C435 V437	V239-I412 HydrophobicContact CG2-CD1 4.43Å; Y396-I412 HydrophobicContact CD1-CB 3.9Å; Y396-I412 HydrophobicContact CD1-CG2 3.44Å; Y396-I412 VanDerWaalsContact CD1-CG2 3.44Å; Y396-I412 HydrophobicContact CD2-CB 4.03Å; Y396-I412 HydrophobicContact CD2-CG2 4.41Å; Y396-I412 HydrophobicContact CE1-CB 3.99Å; Y396-I412 HydrophobicContact CE1-CG2 3.79Å; Y396-I412 HydrophobicContact CE2-CB 4.11Å; Y396-I412 HydrophobicContact CG-CB 3.93Å; Y396-I412 HydrophobicContact CG-CG2 3.79Å; T399-I412 HydrophobicContact CG2-CG2 4.08Å; I400-I412 HydrophobicContact CD1-CD1 4.43Å; I400-I412 HydrophobicContact CD1-CG1 4.19Å; I400-I412 HydrophobicContact CG1-CG1 4.13Å; I400-I412 HydrophobicContact CG1-CG2 4.17Å; I412-A434 CarbonylContact O-C 3.53Å; I412-A434 WeakPolarHBondContact O-CA 3.28Å; I412-C435 HydrophobicContact CD1-CB 3.76Å; I412-C435 HydrophobicContact CG1-CB 4.19Å; I412-C435 PolarHBondContact N-O 2.82Å; I412-C435 VanDerWaalsContact N-O 3.11Å; I412-C435 PolarHBondContact O-N 3.41Å; I412-V437 HydrophobicContact CG1-CG2 3.64Å
413	Y	98.3	Very high	98	Very high	14 Å²	14	38.4 Å²	38.4	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117	165.2	-75.7	-93.7	0	0	0	108.7	V245 Y265 R266 C267 Y396 V433 A434	V245-Y413 HydrophobicContact CB-CD2 4.32Å; V245-Y413 HydrophobicContact CB-CG 4.16Å; V245-Y413 HydrophobicContact CG1-CD1 4.21Å; V245-Y413 HydrophobicContact CG1-CD2 3.53Å; V245-Y413 HydrophobicContact CG1-CE2 3.95Å; V245-Y413 HydrophobicContact CG1-CG 3.66Å; V245-Y413 HydrophobicContact CG2-CG 4.13Å; Y265-Y413 AromaticContact CD2-CE2 3.96Å; Y265-Y413 HydrophobicContact CD2-CE2 3.96Å; Y265-Y413 HydrophobicContact CE2-CD2 4.28Å; Y265-Y413 AromaticContact CE2-CE2 3.57Å; Y265-Y413 HydrophobicContact CE2-CE2 3.57Å; Y265-Y413 PolarHBondContact O-OH 2.75Å; R266-Y413 VanDerWaalsContact CA-OH 3.24Å; R266-Y413 WeakPolarHBondContact CA-OH 3.47Å; C267-Y413 HydrophobicContact CB-CD1 3.86Å; C267-Y413 HydrophobicContact CB-CE1 3.52Å; C267-Y413 VanDerWaalsContact N-CE1 3.35Å; C267-Y413 PolarHBondContact N-OH 2.95Å; C267-Y413 VanDerWaalsContact N-OH 3.11Å; C267-Y413 VanDerWaalsContact O-CE1 3.29Å; C267-Y413 WeakPolarHBondContact O-CE1 3.36Å; Y396-Y413 WeakPolarHBondContact CE2-O 3.39Å; Y413-V433 WeakPolarHBondContact CA-O 3.46Å; Y413-A434 HydrophobicContact CD1-CB 4.21Å; Y413-A434 HydrophobicContact CE1-CB 3.69Å; Y413-A434 HydrophobicContact CE2-CB 4.49Å
414	G	98.3	Very high	98	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.8	-170	0	0	0	0	0	111.7	E432 V433	G414-E432 WeakPolarHBondContact O-CA 3.29Å; G414-V433 PolarHBondContact N-O 3.11Å; G414-V433 PolarHBondContact O-N 2.96Å; G414-V433 VanDerWaalsContact O-N 3.14Å
415	N	98.8	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.4	174.8	-67.8	-82.4	0	0	0	109	M222 G240 N271 V431 E432	M222-N415 HydrophobicContact CG-CB 4Å; G240-N415 PolarHBondContact N-O 3.28Å; G240-N415 WeakPolarHBondContact O-CB 3.5Å; G240-N415 PolarHBondContact O-N 2.99Å; G240-N415 PolarHBondContact O-ND2 2.86Å; G240-N415 VanDerWaalsContact O-ND2 3.14Å; N271-N415 WeakPolarHBondContact CA-OD1 3.47Å; N271-N415 WeakPolarHBondContact CB-OD1 3.33Å; N271-N415 PolarHBondContact N-OD1 3.16Å; N415-V431 CarbonylContact C-O 3.59Å; N415-V431 VanDerWaalsContact CA-O 3.31Å; N415-V431 WeakPolarHBondContact CA-O 3.26Å; N415-E432 PolarHBondContact ND2-OE1 2.98Å; N415-E432 WeakPolarHBondContact OD1-CB 3.3Å
416	V	98.5	Very high	98	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	166.3	-169.3	-64	0	0	0	0	111	V239 L421 C430 V431 V433 P444	V239-V416 HydrophobicContact CG2-CG1 4.13Å; V416-L421 HydrophobicContact CG2-CD1 3.65Å; V416-C430 WeakPolarHBondContact O-CA 3.14Å; V416-V431 HydrophobicContact CG2-CG2 4.27Å; V416-V431 PolarHBondContact N-O 2.66Å; V416-V431 PolarHBondContact O-N 3.34Å; V416-V433 HydrophobicContact CG2-CG2 3.92Å; V416-P444 HydrophobicContact CB-CG 4.11Å; V416-P444 HydrophobicContact CG1-CG 3.97Å; V416-P444 HydrophobicContact CG2-CB 3.95Å; V416-P444 HydrophobicContact CG2-CG 3.84Å
417	R	98	Very high	98.1	Very high	91 Å²	91	41.7 Å²	41.7	34%	0.343	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.9	175.1	-166.2	173.1	75.1	-174.9	-0.4	111.1	Y230 D419 L421	Y230-R417 HydrophobicContact CD1-CB 4.4Å; Y230-R417 HydrophobicContact CD2-CB 3.85Å; Y230-R417 HydrophobicContact CE2-CB 3.99Å; Y230-R417 VanDerWaalsContact CE2-N 3.33Å; Y230-R417 HydrophobicContact CG-CB 4.07Å; R417-D419 IonicContact CZ-OD1 2.65Å; R417-D419 IonicContact CZ-OD2 3.5Å; R417-D419 VanDerWaalsContact NE-CG 3.25Å; R417-D419 IonicContact NE-OD1 2.68Å; R417-D419 PolarHBondContact NE-OD1 2.79Å; R417-D419 IonicContact NE-OD2 2.71Å; R417-D419 PolarHBondContact NE-OD2 2.87Å; R417-D419 IonicContact NH2-OD1 3.52Å; R417-D419 IonicContact NH2-OD2 2.79Å; R417-D419 PolarHBondContact NH2-OD2 2.95Å; R417-D419 PolarHBondContact O-N 2.85Å; R417-D419 VanDerWaalsContact O-N 3.08Å; R417-L421 WeakPolarHBondContact O-CD1 3.45Å
418	N	98.5	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.			trans	-76.6	91.9	174.8	-171	23	0	0	0	111.1	L421 I422 L425 P426 Q427 G428 C429 V431	N418-L421 PolarHBondContact OD1-N 2.87Å; N418-L421 VanDerWaalsContact OD1-N 3.14Å; N418-I422 PolarHBondContact ND2-O 2.84Å; N418-I422 VanDerWaalsContact ND2-O 3.13Å; N418-I422 PolarHBondContact OD1-N 3.47Å; N418-L425 PolarHBondContact ND2-O 3.48Å; N418-P426 PolarHBondContact ND2-O 2.93Å; N418-Q427 PolarHBondContact ND2-NE2 3.41Å; N418-Q427 WeakPolarHBondContact O-CA 3.32Å; N418-Q427 PolarHBondContact O-OE1 3.21Å; N418-G428 PolarHBondContact O-N 3.01Å; N418-C429 WeakPolarHBondContact CB-O 3.3Å; N418-C429 PolarHBondContact N-O 2.89Å; N418-V431 HydrophobicContact CB-CB 4.38Å; N418-V431 HydrophobicContact CB-CG1 3.7Å; N418-V431 HydrophobicContact CB-CG2 3.78Å
419	D	97	Very high	98	Very high	96 Å²	96	35.9 Å²	35.9	51%	0.513	20%	0.203	S	C	.	.	S	Bend	trans	-109.1	62.8	174.2	-68.2	-22	0	0	0	110.5	R417	R417-D419 IonicContact CZ-OD1 2.65Å; R417-D419 IonicContact CZ-OD2 3.5Å; R417-D419 VanDerWaalsContact NE-CG 3.25Å; R417-D419 IonicContact NE-OD1 2.68Å; R417-D419 PolarHBondContact NE-OD1 2.79Å; R417-D419 IonicContact NE-OD2 2.71Å; R417-D419 PolarHBondContact NE-OD2 2.87Å; R417-D419 IonicContact NH2-OD1 3.52Å; R417-D419 IonicContact NH2-OD2 2.79Å; R417-D419 PolarHBondContact NH2-OD2 2.95Å; R417-D419 PolarHBondContact O-N 2.85Å; R417-D419 VanDerWaalsContact O-N 3.08Å
420	G	98	Very high	98	Very high	25 Å²	25	31.9 Å²	31.9	26%	0.258	18%	0.177	S	C	.	.	S	Bend	trans	82	18.6	-178	0	0	0	0	0	114.1	K446	G420-K446 WeakPolarHBondContact O-CD 3.21Å; G420-K446 WeakPolarHBondContact O-CE 3.33Å
421	L	98.7	Very high	98.1	Very high	18 Å²	18	30.6 Å²	30.6	9%	0.094	17%	0.168	C	C	.	.	S	Bend	trans	-77.6	-46.6	178.6	-60.7	172.1	0	0	0	111	V416 R417 N418 V431 V433 P444 V447 G448	V416-L421 HydrophobicContact CG2-CD1 3.65Å; R417-L421 WeakPolarHBondContact O-CD1 3.45Å; N418-L421 PolarHBondContact OD1-N 2.87Å; N418-L421 VanDerWaalsContact OD1-N 3.14Å; L421-V431 HydrophobicContact CB-CG2 4.35Å; L421-V431 HydrophobicContact CD1-CG2 3.95Å; L421-V433 HydrophobicContact CD1-CG2 4.08Å; L421-P444 HydrophobicContact CD1-CB 3.7Å; L421-P444 HydrophobicContact CD1-CG 4.49Å; L421-P444 HydrophobicContact CD2-CB 3.81Å; L421-P444 HydrophobicContact CG-CB 4.43Å; L421-V447 WeakPolarHBondContact O-CB 3.42Å; L421-V447 PolarHBondContact O-N 3.2Å; L421-G448 PolarHBondContact O-N 3.18Å; L421-G448 VanDerWaalsContact O-N 3.13Å
422	I	98.8	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-120.7	113.4	175.8	-53.1	-173.5	0	0	0	108.7	A268 N418 N424 L425 V431 V433 V447 G448 L450	A268-I422 HydrophobicContact CB-CD1 4.19Å; N418-I422 PolarHBondContact ND2-O 2.84Å; N418-I422 VanDerWaalsContact ND2-O 3.13Å; N418-I422 PolarHBondContact OD1-N 3.47Å; I422-N424 PolarHBondContact O-N 3.48Å; I422-L425 HydrophobicContact CB-CB 4.39Å; I422-L425 HydrophobicContact CB-CD1 4.14Å; I422-L425 HydrophobicContact CB-CG 4.32Å; I422-L425 HydrophobicContact CD1-CD1 3.92Å; I422-L425 HydrophobicContact CG2-CB 4.17Å; I422-L425 HydrophobicContact CG2-CD1 3.77Å; I422-L425 HydrophobicContact CG2-CG 3.69Å; I422-V431 HydrophobicContact CD1-CB 3.94Å; I422-V431 HydrophobicContact CD1-CG1 3.89Å; I422-V431 HydrophobicContact CG1-CB 4.46Å; I422-V431 HydrophobicContact CG1-CG1 4.3Å; I422-V433 HydrophobicContact CD1-CG1 3.95Å; I422-V433 HydrophobicContact CG1-CG1 4.09Å; I422-V447 HydrophobicContact CG1-CB 4.12Å; I422-V447 HydrophobicContact CG1-CG2 4.18Å; I422-G448 WeakPolarHBondContact CA-O 3.5Å; I422-L450 HydrophobicContact CD1-CD1 4.29Å; I422-L450 HydrophobicContact CG2-CD1 3.65Å; I422-L450 HydrophobicContact CG2-CG 3.63Å
423	D	98.5	Very high	98.2	Very high	72 Å²	72	26.1 Å²	26.1	39%	0.385	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-35.9	-165.9	-62.9	-36.3	0	0	0	112.7	K446 G448 T449	D423-K446 WeakPolarHBondContact OD1-CE 3.36Å; D423-K446 IonicContact OD1-NZ 2.66Å; D423-K446 PolarHBondContact OD1-NZ 3.38Å; D423-K446 IonicContact OD2-NZ 3.68Å; D423-G448 PolarHBondContact N-O 2.96Å; D423-G448 WeakPolarHBondContact OD2-CA 3.23Å; D423-T449 PolarHBondContact OD2-N 2.85Å; D423-T449 PolarHBondContact OD2-OG1 2.97Å
424	N	98.4	Very high	98.2	Very high	53 Å²	53	26.1 Å²	26.1	28%	0.283	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	24.7	-175.1	64.9	-28	0	0	0	113.8	I422 T449 L450 A455	I422-N424 PolarHBondContact O-N 3.48Å; N424-T449 HydrophobicContact CB-CG2 4.34Å; N424-L450 PolarHBondContact ND2-O 2.94Å; N424-L450 PolarHBondContact OD1-N 2.92Å; N424-A455 WeakPolarHBondContact ND2-CB 3.24Å
425	L	98.6	Very high	98.2	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	14%	0.144	C	C	.	.	S	Bend	trans	-115.6	155.7	162.4	-62.8	-178.5	0	0	0	109.4	I270 N418 I422 Q427 V431 L450 A455 M458 I462	I270-L425 HydrophobicContact CG2-CD1 4.37Å; N418-L425 PolarHBondContact ND2-O 3.48Å; I422-L425 HydrophobicContact CB-CB 4.39Å; I422-L425 HydrophobicContact CB-CD1 4.14Å; I422-L425 HydrophobicContact CB-CG 4.32Å; I422-L425 HydrophobicContact CD1-CD1 3.92Å; I422-L425 HydrophobicContact CG2-CB 4.17Å; I422-L425 HydrophobicContact CG2-CD1 3.77Å; I422-L425 HydrophobicContact CG2-CG 3.69Å; L425-Q427 PolarHBondContact O-N 3.25Å; L425-Q427 PolarHBondContact O-NE2 2.9Å; L425-V431 HydrophobicContact CD1-CG1 3.98Å; L425-L450 HydrophobicContact CD1-CD1 4.17Å; L425-L450 HydrophobicContact CG-CD1 4.44Å; L425-A455 HydrophobicContact CD2-CB 4.06Å; L425-M458 HydrophobicContact CD1-SD 3.92Å; L425-M458 HydrophobicContact CD2-CB 4.12Å; L425-M458 HydrophobicContact CD2-SD 4.28Å; L425-I462 HydrophobicContact CB-CD1 4.37Å; L425-I462 HydrophobicContact CD1-CD1 4.2Å; L425-I462 HydrophobicContact CD2-CD1 3.83Å; L425-I462 HydrophobicContact CG-CD1 4.36Å
426	P	98.2	Very high	98.2	Very high	44 Å²	44	29 Å²	29	29%	0.286	16%	0.159	S	C	.	.			trans	-55	139	-179.5	-27.6	37.2	0	0	0	112.5	N418 C429 Q459 I462	N418-P426 PolarHBondContact ND2-O 2.93Å; P426-C429 HydrophobicContact CB-CB 4.44Å; P426-C429 PolarHBondContact O-SG 2.67Å; P426-Q459 VanDerWaalsContact CD-OE1 3.27Å; P426-I462 HydrophobicContact CG-CG2 3.93Å
427	Q	97.4	Very high	98.2	Very high	106 Å²	106	28.8 Å²	28.8	50%	0.495	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	142.3	174.8	-60.9	-57.2	-60.1	0	0	110	N418 L425 C429	N418-Q427 PolarHBondContact ND2-NE2 3.41Å; N418-Q427 WeakPolarHBondContact O-CA 3.32Å; N418-Q427 PolarHBondContact O-OE1 3.21Å; L425-Q427 PolarHBondContact O-N 3.25Å; L425-Q427 PolarHBondContact O-NE2 2.9Å; Q427-C429 VanDerWaalsContact C-N 3.27Å; Q427-C429 PolarHBondContact O-N 2.95Å
428	G	95.8	Very high	98.2	Very high	18 Å²	18	25.7 Å²	25.7	19%	0.186	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-11.6	-175.7	0	0	0	0	0	115.3	W227 N418	W227-G428 PolarHBondContact NE1-O 2.88Å; W227-G428 VanDerWaalsContact NE1-O 3.09Å; N418-G428 PolarHBondContact O-N 3.01Å
429	C	97.8	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-68.8	166.1	173.6	79.5	0	0	0	0	111.8	W227 N418 P426 Q427 I462	W227-C429 HydrophobicContact CD2-CB 4.45Å; W227-C429 HydrophobicContact CE3-CB 3.98Å; W227-C429 HydrophobicContact CH2-CB 3.41Å; W227-C429 VanDerWaalsContact CH2-CB 3.41Å; W227-C429 HydrophobicContact CZ2-CB 3.94Å; W227-C429 HydrophobicContact CZ3-CB 3.45Å; W227-C429 VanDerWaalsContact CZ3-CB 3.45Å; N418-C429 WeakPolarHBondContact CB-O 3.3Å; N418-C429 PolarHBondContact N-O 2.89Å; P426-C429 HydrophobicContact CB-CB 4.44Å; P426-C429 PolarHBondContact O-SG 2.67Å; Q427-C429 VanDerWaalsContact C-N 3.27Å; Q427-C429 PolarHBondContact O-N 2.95Å; C429-I462 HydrophobicContact CB-CG2 4.16Å
430	C	98.5	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.8	173.9	-171.5	0	0	0	0	110.6	A223 W227 I270 V416	A223-C430 HydrophobicContact CB-CB 4.07Å; A223-C430 WeakPolarHBondContact O-CB 3.48Å; W227-C430 HydrophobicContact CB-CB 4.28Å; I270-C430 WeakPolarHBondContact CG2-O 3.42Å; V416-C430 WeakPolarHBondContact O-CA 3.14Å
431	V	98.8	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.8	176.8	-69.7	0	0	0	0	110.9	G269 N415 V416 N418 L421 I422 L425 V433	G269-V431 CarbonylContact O-C 3.53Å; G269-V431 VanDerWaalsContact O-CA 3.27Å; G269-V431 WeakPolarHBondContact O-CA 3.37Å; G269-V431 WeakPolarHBondContact O-CB 3.38Å; N415-V431 CarbonylContact C-O 3.59Å; N415-V431 VanDerWaalsContact CA-O 3.31Å; N415-V431 WeakPolarHBondContact CA-O 3.26Å; V416-V431 HydrophobicContact CG2-CG2 4.27Å; V416-V431 PolarHBondContact N-O 2.66Å; V416-V431 PolarHBondContact O-N 3.34Å; N418-V431 HydrophobicContact CB-CB 4.38Å; N418-V431 HydrophobicContact CB-CG1 3.7Å; N418-V431 HydrophobicContact CB-CG2 3.78Å; L421-V431 HydrophobicContact CB-CG2 4.35Å; L421-V431 HydrophobicContact CD1-CG2 3.95Å; I422-V431 HydrophobicContact CD1-CB 3.94Å; I422-V431 HydrophobicContact CD1-CG1 3.89Å; I422-V431 HydrophobicContact CG1-CB 4.46Å; I422-V431 HydrophobicContact CG1-CG1 4.3Å; L425-V431 HydrophobicContact CD1-CG1 3.98Å; V431-V433 HydrophobicContact CB-CG1 4.39Å; V431-V433 HydrophobicContact CG2-CG1 4.17Å
432	E	98.8	Very high	98.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.6	173.7	-168.8	161.3	-124.3	0	0	109.2	A268 G269 A274 G414 N415	A268-E432 WeakPolarHBondContact CA-O 3.23Å; G269-E432 PolarHBondContact N-O 3.15Å; G269-E432 VanDerWaalsContact N-O 3.1Å; G269-E432 PolarHBondContact O-N 3.32Å; A274-E432 HydrophobicContact CB-CB 4.34Å; G414-E432 WeakPolarHBondContact O-CA 3.29Å; N415-E432 PolarHBondContact ND2-OE1 2.98Å; N415-E432 WeakPolarHBondContact OD1-CB 3.3Å
433	V	98.7	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	165.8	-176.7	-59.9	0	0	0	0	111	Y413 G414 V416 L421 I422 V431 P444 V447	Y413-V433 WeakPolarHBondContact CA-O 3.46Å; G414-V433 PolarHBondContact N-O 3.11Å; G414-V433 PolarHBondContact O-N 2.96Å; G414-V433 VanDerWaalsContact O-N 3.14Å; V416-V433 HydrophobicContact CG2-CG2 3.92Å; L421-V433 HydrophobicContact CD1-CG2 4.08Å; I422-V433 HydrophobicContact CD1-CG1 3.95Å; I422-V433 HydrophobicContact CG1-CG1 4.09Å; V431-V433 HydrophobicContact CB-CG1 4.39Å; V431-V433 HydrophobicContact CG2-CG1 4.17Å; V433-P444 HydrophobicContact CG2-CB 4.02Å; V433-V447 HydrophobicContact CB-CG2 4.15Å; V433-V447 HydrophobicContact CG1-CG2 3.62Å
434	A	98.4	Very high	98.1	Very high	13 Å²	13	33.4 Å²	33.4	11%	0.107	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.7	169.7	0	0	0	0	0	110.3	V411 I412 Y413 T445	V411-A434 HydrophobicContact CG1-CB 4.25Å; I412-A434 CarbonylContact O-C 3.53Å; I412-A434 WeakPolarHBondContact O-CA 3.28Å; Y413-A434 HydrophobicContact CD1-CB 4.21Å; Y413-A434 HydrophobicContact CE1-CB 3.69Å; Y413-A434 HydrophobicContact CE2-CB 4.49Å; A434-T445 WeakPolarHBondContact O-CB 3.5Å; A434-T445 PolarHBondContact O-N 3.25Å; A434-T445 PolarHBondContact O-OG1 3.3Å
435	C	98.7	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.4	174.7	-57.1	0	0	0	0	109.2	V411 I412 I442 Q443	V411-C435 WeakPolarHBondContact CA-O 3.47Å; I412-C435 HydrophobicContact CD1-CB 3.76Å; I412-C435 HydrophobicContact CG1-CB 4.19Å; I412-C435 PolarHBondContact N-O 2.82Å; I412-C435 VanDerWaalsContact N-O 3.11Å; I412-C435 PolarHBondContact O-N 3.41Å; C435-I442 HydrophobicContact CB-CG2 3.8Å; C435-Q443 CarbonylContact C-O 3.55Å; C435-Q443 WeakPolarHBondContact CA-O 3.38Å
436	L	98.5	Very high	98.1	Very high	61 Å²	61	39.8 Å²	39.8	32%	0.319	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.2	162	173.8	64.9	0	0	0	107.8	P409 Q443	P409-L436 HydrophobicContact CB-CD1 4.16Å; L436-Q443 HydrophobicContact CB-CB 4.32Å; L436-Q443 PolarHBondContact N-O 3.11Å; L436-Q443 WeakPolarHBondContact O-CB 3.41Å; L436-Q443 PolarHBondContact O-N 3.21Å
437	V	98.7	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.9	175.5	-168.5	0	0	0	0	108.3	I400 A403 I404 P409 S410 I412 G441 I442	I400-V437 HydrophobicContact CB-CG1 4.49Å; I400-V437 HydrophobicContact CG1-CG2 4.34Å; I400-V437 HydrophobicContact CG2-CG1 4.14Å; A403-V437 HydrophobicContact CB-CB 4.08Å; A403-V437 HydrophobicContact CB-CG1 3.79Å; I404-V437 HydrophobicContact CD1-CG1 4.19Å; I404-V437 HydrophobicContact CG1-CG1 3.67Å; P409-V437 CarbonylContact C-O 3.57Å; P409-V437 VanDerWaalsContact CA-O 3.31Å; P409-V437 WeakPolarHBondContact CA-O 3.31Å; S410-V437 PolarHBondContact N-O 2.91Å; S410-V437 PolarHBondContact O-N 2.84Å; I412-V437 HydrophobicContact CG1-CG2 3.64Å; V437-G441 WeakPolarHBondContact CA-O 3.5Å; V437-I442 HydrophobicContact CG1-CG1 4.3Å; V437-I442 HydrophobicContact CG2-CG1 4.39Å
438	D	98.3	Very high	98.2	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-162.6	177	63.4	25.3	0	0	0	109.4	A403 I404 P409 N440 G441 Q443	A403-D438 CarbonylContact O-C 3.39Å; I404-D438 WeakPolarHBondContact CA-O 3.38Å; P409-D438 HydrophobicContact CB-CB 4.34Å; D438-N440 PolarHBondContact O-N 3.39Å; D438-N440 VanDerWaalsContact O-N 3.09Å; D438-N440 WeakPolarHBondContact OD1-CA 3.49Å; D438-N440 VanDerWaalsContact OD1-CB 3.24Å; D438-N440 WeakPolarHBondContact OD1-CB 3.23Å; D438-N440 PolarHBondContact OD1-N 2.91Å; D438-N440 PolarHBondContact OD1-ND2 3.21Å; D438-G441 PolarHBondContact N-O 2.93Å; D438-G441 PolarHBondContact O-N 3.48Å; D438-Q443 PolarHBondContact OD1-NE2 3.49Å; D438-Q443 PolarHBondContact OD2-NE2 2.73Å
439	A	97	Very high	98.3	Very high	69 Å²	69	38.2 Å²	38.2	57%	0.57	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.7	179.2	0	0	0	0	0	114.3	G441	A439-G441 PolarHBondContact O-N 3.43Å
440	N	97.5	Very high	98.4	Very high	129 Å²	129	38.4 Å²	38.4	69%	0.69	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	1.7	173.5	-53.4	-68.4	0	0	0	112.7	D438	D438-N440 PolarHBondContact O-N 3.39Å; D438-N440 VanDerWaalsContact O-N 3.09Å; D438-N440 WeakPolarHBondContact OD1-CA 3.49Å; D438-N440 VanDerWaalsContact OD1-CB 3.24Å; D438-N440 WeakPolarHBondContact OD1-CB 3.23Å; D438-N440 PolarHBondContact OD1-N 2.91Å; D438-N440 PolarHBondContact OD1-ND2 3.21Å
441	G	97.8	Very high	98.4	Very high	14 Å²	14	40.1 Å²	40.1	14%	0.144	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-151.4	-177.8	0	0	0	0	0	112.7	V437 D438 A439	V437-G441 WeakPolarHBondContact CA-O 3.5Å; D438-G441 PolarHBondContact N-O 2.93Å; D438-G441 PolarHBondContact O-N 3.48Å; A439-G441 PolarHBondContact O-N 3.43Å
442	I	98.3	Very high	98.3	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.195	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	-176.4	-55.1	175	0	0	0	108.8	T214 V239 I400 I404 C435 V437	T214-I442 HydrophobicContact CG2-CD1 3.94Å; V239-I442 HydrophobicContact CB-CD1 3.65Å; V239-I442 HydrophobicContact CG1-CD1 3.36Å; V239-I442 HydrophobicContact CG2-CD1 4.48Å; I400-I442 HydrophobicContact CG2-CD1 4.1Å; I400-I442 HydrophobicContact CG2-CG1 4.33Å; I404-I442 HydrophobicContact CD1-CG1 4.21Å; C435-I442 HydrophobicContact CB-CG2 3.8Å; V437-I442 HydrophobicContact CG1-CG1 4.3Å; V437-I442 HydrophobicContact CG2-CG1 4.39Å
443	Q	98.3	Very high	98.3	Very high	72 Å²	72	48.5 Å²	48.5	34%	0.336	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	94.1	-174.2	-61.4	173.2	82.8	0	0	109.7	C435 L436 D438	C435-Q443 CarbonylContact C-O 3.55Å; C435-Q443 WeakPolarHBondContact CA-O 3.38Å; L436-Q443 HydrophobicContact CB-CB 4.32Å; L436-Q443 PolarHBondContact N-O 3.11Å; L436-Q443 WeakPolarHBondContact O-CB 3.41Å; L436-Q443 PolarHBondContact O-N 3.21Å; D438-Q443 PolarHBondContact OD1-NE2 3.49Å; D438-Q443 PolarHBondContact OD2-NE2 2.73Å
444	P	98.5	Very high	98.3	Very high	52 Å²	52	48.5 Å²	48.5	34%	0.338	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	142.6	177.5	-24.5	36.2	0	0	0	112.4	V416 L421 V433	V416-P444 HydrophobicContact CB-CG 4.11Å; V416-P444 HydrophobicContact CG1-CG 3.97Å; V416-P444 HydrophobicContact CG2-CB 3.95Å; V416-P444 HydrophobicContact CG2-CG 3.84Å; L421-P444 HydrophobicContact CD1-CB 3.7Å; L421-P444 HydrophobicContact CD1-CG 4.49Å; L421-P444 HydrophobicContact CD2-CB 3.81Å; L421-P444 HydrophobicContact CG-CB 4.43Å; V433-P444 HydrophobicContact CG2-CB 4.02Å
445	T	98.2	Very high	98.3	Very high	60 Å²	60	48.2 Å²	48.2	37%	0.368	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-101.9	139.9	-178.6	64.1	0	0	0	0	111.5	A434 V447	A434-T445 WeakPolarHBondContact O-CB 3.5Å; A434-T445 PolarHBondContact O-N 3.25Å; A434-T445 PolarHBondContact O-OG1 3.3Å; T445-V447 PolarHBondContact O-N 2.96Å
446	K	98.4	Very high	98.3	Very high	133 Å²	133	51 Å²	51	58%	0.578	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-67.7	132.8	177.2	-178	167.1	-175.7	161.8	0	110.8	G420 D423	G420-K446 WeakPolarHBondContact O-CD 3.21Å; G420-K446 WeakPolarHBondContact O-CE 3.33Å; D423-K446 WeakPolarHBondContact OD1-CE 3.36Å; D423-K446 IonicContact OD1-NZ 2.66Å; D423-K446 PolarHBondContact OD1-NZ 3.38Å; D423-K446 IonicContact OD2-NZ 3.68Å
447	V	98.5	Very high	98.3	Very high	23 Å²	23	48.9 Å²	48.9	14%	0.139	29%	0.293	C	S	.	.			trans	-96.6	-41.2	176.2	179.2	0	0	0	0	111.2	R266 A268 L277 L421 I422 V433 T445 L450	R266-V447 PolarHBondContact NH1-O 3.49Å; A268-V447 HydrophobicContact CB-CB 4.23Å; A268-V447 HydrophobicContact CB-CG1 3.52Å; A268-V447 HydrophobicContact CB-CG2 3.72Å; L277-V447 HydrophobicContact CD1-CG1 3.74Å; L421-V447 WeakPolarHBondContact O-CB 3.42Å; L421-V447 PolarHBondContact O-N 3.2Å; I422-V447 HydrophobicContact CG1-CB 4.12Å; I422-V447 HydrophobicContact CG1-CG2 4.18Å; V433-V447 HydrophobicContact CB-CG2 4.15Å; V433-V447 HydrophobicContact CG1-CG2 3.62Å; T445-V447 PolarHBondContact O-N 2.96Å; V447-L450 HydrophobicContact CG1-CD2 3.91Å
448	G	98.3	Very high	98.3	Very high	11 Å²	11	48.9 Å²	48.9	11%	0.113	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	91.8	-147.9	-172.6	0	0	0	0	0	112.8	L421 I422 D423	L421-G448 PolarHBondContact O-N 3.18Å; L421-G448 VanDerWaalsContact O-N 3.13Å; I422-G448 WeakPolarHBondContact CA-O 3.5Å; D423-G448 PolarHBondContact N-O 2.96Å; D423-G448 WeakPolarHBondContact OD2-CA 3.23Å
449	T	98.6	Very high	98.3	Very high	102 Å²	102	50.3 Å²	50.3	63%	0.626	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-83.5	125.6	-179.1	-60.6	0	0	0	0	111.2	D423 N424	D423-T449 PolarHBondContact OD2-N 2.85Å; D423-T449 PolarHBondContact OD2-OG1 2.97Å; N424-T449 HydrophobicContact CB-CG2 4.34Å
450	L	98.7	Very high	98.4	Very high	3 Å²	3	49 Å²	49	2%	0.016	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-78.5	155.7	171.6	-63.2	177.4	0	0	0	111.5	A268 L277 I422 N424 L425 V447 S452 A455 M458	A268-L450 HydrophobicContact CB-CD2 3.88Å; L277-L450 HydrophobicContact CD1-CD2 3.67Å; L277-L450 HydrophobicContact CD2-CD2 3.98Å; L277-L450 HydrophobicContact CG-CD2 4.38Å; I422-L450 HydrophobicContact CD1-CD1 4.29Å; I422-L450 HydrophobicContact CG2-CD1 3.65Å; I422-L450 HydrophobicContact CG2-CG 3.63Å; N424-L450 PolarHBondContact ND2-O 2.94Å; N424-L450 PolarHBondContact OD1-N 2.92Å; L425-L450 HydrophobicContact CD1-CD1 4.17Å; L425-L450 HydrophobicContact CG-CD1 4.44Å; V447-L450 HydrophobicContact CG1-CD2 3.91Å; L450-S452 PolarHBondContact O-N 2.63Å; L450-A455 HydrophobicContact CB-CB 4.35Å; L450-M458 HydrophobicContact CD1-CE 3.74Å; L450-M458 HydrophobicContact CD1-SD 3.54Å; L450-M458 VanDerWaalsContact CD1-SD 3.54Å
451	P	98.6	Very high	98.5	Very high	37 Å²	37	43 Å²	43	24%	0.24	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-49.5	131.3	164.4	-25.1	33.9	0	0	0	111.2	Y329 H453 L454 A455	Y329-P451 HydrophobicContact CE2-CB 4.48Å; Y329-P451 HydrophobicContact CE2-CG 4.02Å; P451-H453 VanDerWaalsContact C-N 3.31Å; P451-H453 PolarHBondContact O-N 3.46Å; P451-L454 HydrophobicContact CB-CD1 4.21Å; P451-L454 HydrophobicContact CB-CG 4.18Å; P451-L454 HydrophobicContact CG-CD1 4.09Å; P451-L454 PolarHBondContact O-N 3.07Å; P451-A455 PolarHBondContact O-N 2.9Å; P451-A455 VanDerWaalsContact O-N 3.09Å
452	S	98.4	Very high	98.5	Very high	95 Å²	95	42.4 Å²	42.4	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-63.3	-32.6	-165.8	56.6	0	0	0	0	113.9	L450 A455 A456	L450-S452 PolarHBondContact O-N 2.63Å; S452-A455 PolarHBondContact O-N 3.49Å; S452-A456 VanDerWaalsContact O-CB 3.25Å; S452-A456 WeakPolarHBondContact O-CB 3.36Å; S452-A456 PolarHBondContact O-N 3.34Å
453	H	98.3	Very high	98.5	Very high	81 Å²	81	43.3 Å²	43.3	38%	0.375	25%	0.251	S	S	.	.	H	α-helix	trans	-70.6	-30.6	177.1	64.9	-61.5	0	0	0	112.8	L327 P451 L457	L327-H453 PolarHBondContact O-NE2 3.4Å; P451-H453 VanDerWaalsContact C-N 3.31Å; P451-H453 PolarHBondContact O-N 3.46Å; H453-L457 WeakPolarHBondContact O-CB 3.42Å; H453-L457 PolarHBondContact O-N 3.47Å; H453-L457 VanDerWaalsContact O-N 3.14Å
454	L	98.7	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73	-45.3	173.2	-56.6	-175.3	0	0	0	110.6	F275 L277 L327 Y329 P451 A456 L457 M458	F275-L454 HydrophobicContact CB-CD1 4.1Å; F275-L454 HydrophobicContact CD1-CD1 4.43Å; F275-L454 HydrophobicContact CD1-CD2 4.07Å; F275-L454 HydrophobicContact CD2-CB 4.37Å; F275-L454 HydrophobicContact CD2-CD1 4.23Å; F275-L454 HydrophobicContact CD2-CD2 4.3Å; F275-L454 HydrophobicContact CE1-CD2 3.92Å; F275-L454 HydrophobicContact CE2-CB 4.41Å; F275-L454 HydrophobicContact CE2-CD2 4.16Å; F275-L454 HydrophobicContact CG-CD1 4Å; F275-L454 HydrophobicContact CG-CD2 4.26Å; F275-L454 HydrophobicContact CZ-CD2 3.98Å; L277-L454 HydrophobicContact CD2-CD1 4.45Å; L327-L454 HydrophobicContact CB-CD2 4.11Å; L327-L454 HydrophobicContact CD1-CD2 4.23Å; Y329-L454 HydrophobicContact CD1-CD1 4.36Å; Y329-L454 HydrophobicContact CD2-CD1 3.74Å; Y329-L454 HydrophobicContact CD2-CD2 4.48Å; Y329-L454 HydrophobicContact CD2-CG 4.42Å; Y329-L454 HydrophobicContact CE2-CD1 4.32Å; Y329-L454 HydrophobicContact CG-CD1 3.76Å; P451-L454 HydrophobicContact CB-CD1 4.21Å; P451-L454 HydrophobicContact CB-CG 4.18Å; P451-L454 HydrophobicContact CG-CD1 4.09Å; P451-L454 PolarHBondContact O-N 3.07Å; L454-A456 VanDerWaalsContact C-N 3.31Å; L454-A456 PolarHBondContact O-N 3.49Å; L454-L457 PolarHBondContact O-N 3.09Å; L454-L457 VanDerWaalsContact O-N 3.15Å; L454-M458 HydrophobicContact CB-CE 4.33Å; L454-M458 WeakPolarHBondContact O-CG 3.37Å; L454-M458 PolarHBondContact O-N 3.19Å
455	A	98.8	Very high	98.5	Very high	8 Å²	8	37.5 Å²	37.5	7%	0.066	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-41.4	175	0	0	0	0	0	111.7	N424 L425 L450 P451 S452 L457 M458 Q459	N424-A455 WeakPolarHBondContact ND2-CB 3.24Å; L425-A455 HydrophobicContact CD2-CB 4.06Å; L450-A455 HydrophobicContact CB-CB 4.35Å; P451-A455 PolarHBondContact O-N 2.9Å; P451-A455 VanDerWaalsContact O-N 3.09Å; S452-A455 PolarHBondContact O-N 3.49Å; A455-L457 VanDerWaalsContact C-N 3.31Å; A455-L457 PolarHBondContact O-N 2.82Å; A455-M458 PolarHBondContact O-N 2.98Å; A455-Q459 WeakPolarHBondContact O-CB 3.41Å; A455-Q459 PolarHBondContact O-N 3.01Å
456	A	98.6	Very high	98.5	Very high	59 Å²	59	36.2 Å²	36.2	49%	0.488	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-38.4	175.4	0	0	0	0	0	112.4	S452 L454 Q459 T460	S452-A456 VanDerWaalsContact O-CB 3.25Å; S452-A456 WeakPolarHBondContact O-CB 3.36Å; S452-A456 PolarHBondContact O-N 3.34Å; L454-A456 VanDerWaalsContact C-N 3.31Å; L454-A456 PolarHBondContact O-N 3.49Å; A456-Q459 WeakPolarHBondContact O-CB 3.2Å; A456-Q459 PolarHBondContact O-N 2.85Å; A456-T460 PolarHBondContact O-N 2.71Å
457	L	98.6	Very high	98.5	Very high	15 Å²	15	30.9 Å²	30.9	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-43.6	175.6	-176.6	57.8	0	0	0	111.8	M273 F275 L327 F338 T342 W344 H453 L454 A455 Q459 T460	M273-L457 HydrophobicContact SD-CD1 4.46Å; M273-L457 HydrophobicContact SD-CD2 4.33Å; M273-L457 HydrophobicContact SD-CG 3.73Å; F275-L457 HydrophobicContact CZ-CD2 4.12Å; L327-L457 HydrophobicContact CD1-CD2 3.93Å; F338-L457 HydrophobicContact CZ-CD2 4.06Å; T342-L457 HydrophobicContact CG2-CD1 4.2Å; W344-L457 HydrophobicContact CH2-CD1 3.73Å; W344-L457 HydrophobicContact CH2-CD2 4.24Å; W344-L457 HydrophobicContact CZ3-CD1 4.27Å; W344-L457 HydrophobicContact CZ3-CD2 4.43Å; H453-L457 WeakPolarHBondContact O-CB 3.42Å; H453-L457 PolarHBondContact O-N 3.47Å; H453-L457 VanDerWaalsContact O-N 3.14Å; L454-L457 PolarHBondContact O-N 3.09Å; L454-L457 VanDerWaalsContact O-N 3.15Å; A455-L457 VanDerWaalsContact C-N 3.31Å; A455-L457 PolarHBondContact O-N 2.82Å; L457-Q459 VanDerWaalsContact C-N 3.26Å; L457-Q459 PolarHBondContact O-N 2.99Å; L457-T460 PolarHBondContact O-N 2.77Å; L457-T460 PolarHBondContact O-OG1 3.28Å
458	M	98.6	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-37.5	173.8	-65.1	167.1	-169.3	0	0	111.6	G269 I270 M273 F275 L425 L450 L454 A455 T460 N461 I462	G269-M458 VanDerWaalsContact CA-CE 3.43Å; G269-M458 VanDerWaalsContact CA-SD 3.53Å; I270-M458 HydrophobicContact CD1-CB 4.21Å; I270-M458 HydrophobicContact CG1-CB 4.48Å; I270-M458 HydrophobicContact CG1-CG 4.38Å; M273-M458 HydrophobicContact CG-CG 4.39Å; M273-M458 WeakPolarHBondContact O-CE 3.48Å; F275-M458 HydrophobicContact CD2-CE 3.39Å; F275-M458 HydrophobicContact CE2-CE 3.78Å; L425-M458 HydrophobicContact CD1-SD 3.92Å; L425-M458 HydrophobicContact CD2-CB 4.12Å; L425-M458 HydrophobicContact CD2-SD 4.28Å; L450-M458 HydrophobicContact CD1-CE 3.74Å; L450-M458 HydrophobicContact CD1-SD 3.54Å; L450-M458 VanDerWaalsContact CD1-SD 3.54Å; L454-M458 HydrophobicContact CB-CE 4.33Å; L454-M458 WeakPolarHBondContact O-CG 3.37Å; L454-M458 PolarHBondContact O-N 3.19Å; A455-M458 PolarHBondContact O-N 2.98Å; M458-T460 PolarHBondContact O-N 2.86Å; M458-N461 WeakPolarHBondContact O-CB 3.49Å; M458-N461 PolarHBondContact O-N 2.59Å; M458-I462 HydrophobicContact CB-CD1 4.3Å; M458-I462 WeakPolarHBondContact O-CG1 3.4Å; M458-I462 PolarHBondContact O-N 3.13Å
459	Q	98.7	Very high	98.4	Very high	55 Å²	55	29.5 Å²	29.5	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-58.9	-33.8	-179.7	-171.8	61.6	58	0	0	112	P426 A455 A456 L457 N461 I462 N463	P426-Q459 VanDerWaalsContact CD-OE1 3.27Å; A455-Q459 WeakPolarHBondContact O-CB 3.41Å; A455-Q459 PolarHBondContact O-N 3.01Å; A456-Q459 WeakPolarHBondContact O-CB 3.2Å; A456-Q459 PolarHBondContact O-N 2.85Å; L457-Q459 VanDerWaalsContact C-N 3.26Å; L457-Q459 PolarHBondContact O-N 2.99Å; Q459-N461 PolarHBondContact O-N 2.79Å; Q459-I462 PolarHBondContact O-N 2.99Å; Q459-N463 PolarHBondContact NE2-OD1 2.63Å; Q459-N463 PolarHBondContact O-N 2.84Å; Q459-N463 PolarHBondContact O-ND2 3.11Å; Q459-N463 PolarHBondContact O-OD1 2.85Å
460	T	98.4	Very high	98.3	Very high	43 Å²	43	28.1 Å²	28.1	26%	0.264	17%	0.165	S	C	.	.	H	α-helix	trans	-61.1	-34.3	177.6	71.9	0	0	0	0	111.9	A456 L457 M458	A456-T460 PolarHBondContact O-N 2.71Å; L457-T460 PolarHBondContact O-N 2.77Å; L457-T460 PolarHBondContact O-OG1 3.28Å; M458-T460 PolarHBondContact O-N 2.86Å
461	N	98.5	Very high	98.3	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-81.5	-43	178.2	-73.6	-120.4	0	0	0	110.9	L184 I270 M273 M458 Q459 N463 V464 Q465	L184-N461 HydrophobicContact CD1-CB 4.09Å; L184-N461 HydrophobicContact CD2-CB 4.23Å; L184-N461 WeakPolarHBondContact CD2-OD1 3.21Å; I270-N461 HydrophobicContact CD1-CB 3.61Å; M273-N461 WeakPolarHBondContact CE-ND2 3.29Å; M458-N461 WeakPolarHBondContact O-CB 3.49Å; M458-N461 PolarHBondContact O-N 2.59Å; Q459-N461 PolarHBondContact O-N 2.79Å; N461-N463 PolarHBondContact O-N 3.14Å; N461-V464 WeakPolarHBondContact O-CB 3.34Å; N461-V464 PolarHBondContact O-N 2.81Å; N461-V464 VanDerWaalsContact O-N 3.1Å; N461-Q465 WeakPolarHBondContact O-CG 3.43Å; N461-Q465 PolarHBondContact O-N 3.33Å; N461-Q465 VanDerWaalsContact O-N 3.11Å
462	I	98.8	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-34	177.4	-66.4	166.9	0	0	0	110.8	W227 I270 L425 P426 C429 M458 Q459 V464 Q465 T466	W227-I462 HydrophobicContact CH2-CG2 4.4Å; W227-I462 HydrophobicContact CZ3-CG2 4.22Å; I270-I462 HydrophobicContact CD1-CG1 4.1Å; I270-I462 HydrophobicContact CG2-CD1 3.81Å; I270-I462 HydrophobicContact CG2-CG1 3.92Å; L425-I462 HydrophobicContact CB-CD1 4.37Å; L425-I462 HydrophobicContact CD1-CD1 4.2Å; L425-I462 HydrophobicContact CD2-CD1 3.83Å; L425-I462 HydrophobicContact CG-CD1 4.36Å; P426-I462 HydrophobicContact CG-CG2 3.93Å; C429-I462 HydrophobicContact CB-CG2 4.16Å; M458-I462 HydrophobicContact CB-CD1 4.3Å; M458-I462 WeakPolarHBondContact O-CG1 3.4Å; M458-I462 PolarHBondContact O-N 3.13Å; Q459-I462 PolarHBondContact O-N 2.99Å; I462-V464 VanDerWaalsContact C-N 3.35Å; I462-V464 PolarHBondContact O-N 2.94Å; I462-Q465 PolarHBondContact O-N 3.35Å; I462-T466 WeakPolarHBondContact O-CB 3.22Å; I462-T466 PolarHBondContact O-N 2.84Å; I462-T466 PolarHBondContact O-OG1 2.92Å
463	N	98.5	Very high	98.1	Very high	58 Å²	58	25.5 Å²	25.5	31%	0.31	14%	0.141	S	C	.	.	H	α-helix	trans	-57.1	-46.9	175.7	-67.1	-22.6	0	0	0	111.9	Q459 N461 T466 L467 M486	Q459-N463 PolarHBondContact NE2-OD1 2.63Å; Q459-N463 PolarHBondContact O-N 2.84Å; Q459-N463 PolarHBondContact O-ND2 3.11Å; Q459-N463 PolarHBondContact O-OD1 2.85Å; N461-N463 PolarHBondContact O-N 3.14Å; N463-T466 PolarHBondContact O-N 3.01Å; N463-L467 WeakPolarHBondContact O-CD1 3.28Å; N463-L467 VanDerWaalsContact O-CG 3.3Å; N463-L467 WeakPolarHBondContact O-CG 3.44Å; N463-L467 PolarHBondContact O-N 2.86Å; N463-L467 VanDerWaalsContact O-N 3.09Å; N463-M486 HydrophobicContact CB-CB 4.31Å
464	V	98.7	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-46.9	176.7	-174.6	0	0	0	0	110.3	L184 I189 M224 N461 I462 T466 L467 L468 A483 M486 D487	L184-V464 HydrophobicContact CD1-CB 4.03Å; L184-V464 HydrophobicContact CD1-CG1 4.27Å; L184-V464 HydrophobicContact CD1-CG2 4.42Å; L184-V464 HydrophobicContact CG-CB 4.47Å; L184-V464 HydrophobicContact CG-CG1 4.47Å; L184-V464 HydrophobicContact CG-CG2 4.45Å; I189-V464 HydrophobicContact CD1-CG1 3.94Å; I189-V464 HydrophobicContact CG1-CG1 4Å; M224-V464 HydrophobicContact CE-CG1 4.1Å; N461-V464 WeakPolarHBondContact O-CB 3.34Å; N461-V464 PolarHBondContact O-N 2.81Å; N461-V464 VanDerWaalsContact O-N 3.1Å; I462-V464 VanDerWaalsContact C-N 3.35Å; I462-V464 PolarHBondContact O-N 2.94Å; V464-T466 VanDerWaalsContact C-N 3.33Å; V464-T466 PolarHBondContact O-N 3.32Å; V464-L467 PolarHBondContact O-N 2.94Å; V464-L468 WeakPolarHBondContact O-CB 3.4Å; V464-L468 PolarHBondContact O-N 2.98Å; V464-A483 HydrophobicContact CG1-CB 4.09Å; V464-M486 HydrophobicContact CG2-CB 4.32Å; V464-D487 HydrophobicContact CG2-CB 4.11Å
465	Q	98.5	Very high	98	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-41.4	-179.5	-62.3	165.3	5.7	0	0	112.1	L184 A223 M224 W227 N461 I462 T469	L184-Q465 HydrophobicContact CD1-CG 4.36Å; A223-Q465 HydrophobicContact CB-CG 4.39Å; M224-Q465 HydrophobicContact CE-CB 4.49Å; M224-Q465 HydrophobicContact CE-CG 3.75Å; M224-Q465 HydrophobicContact CG-CB 4Å; M224-Q465 HydrophobicContact CG-CG 3.77Å; W227-Q465 HydrophobicContact CE3-CB 4.13Å; W227-Q465 HydrophobicContact CZ3-CB 4.06Å; N461-Q465 WeakPolarHBondContact O-CG 3.43Å; N461-Q465 PolarHBondContact O-N 3.33Å; N461-Q465 VanDerWaalsContact O-N 3.11Å; I462-Q465 PolarHBondContact O-N 3.35Å; Q465-T469 VanDerWaalsContact O-CB 3.31Å; Q465-T469 WeakPolarHBondContact O-CB 3.37Å; Q465-T469 PolarHBondContact O-N 2.78Å; Q465-T469 PolarHBondContact O-OG1 3.4Å
466	T	98	Very high	97.9	Very high	32 Å²	32	33.1 Å²	33.1	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-54.4	176.7	-54.6	0	0	0	0	110	W227 I462 N463 V464 L468 T469 E470	W227-T466 HydrophobicContact CH2-CG2 4.12Å; W227-T466 WeakPolarHBondContact CH2-OG1 3.29Å; I462-T466 WeakPolarHBondContact O-CB 3.22Å; I462-T466 PolarHBondContact O-N 2.84Å; I462-T466 PolarHBondContact O-OG1 2.92Å; N463-T466 PolarHBondContact O-N 3.01Å; V464-T466 VanDerWaalsContact C-N 3.33Å; V464-T466 PolarHBondContact O-N 3.32Å; T466-L468 VanDerWaalsContact C-N 3.3Å; T466-L468 PolarHBondContact O-N 3.1Å; T466-T469 PolarHBondContact O-N 3Å; T466-E470 WeakPolarHBondContact O-CG 3.47Å; T466-E470 PolarHBondContact O-N 3.48Å
467	L	98.4	Very high	97.9	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-38.7	-176.3	-71.6	166.6	0	0	0	111.7	N463 V464 E470 A471 H482 A483 M486	N463-L467 WeakPolarHBondContact O-CD1 3.28Å; N463-L467 VanDerWaalsContact O-CG 3.3Å; N463-L467 WeakPolarHBondContact O-CG 3.44Å; N463-L467 PolarHBondContact O-N 2.86Å; N463-L467 VanDerWaalsContact O-N 3.09Å; V464-L467 PolarHBondContact O-N 2.94Å; L467-E470 PolarHBondContact O-N 2.97Å; L467-A471 WeakPolarHBondContact O-CB 3.45Å; L467-A471 PolarHBondContact O-N 3.18Å; L467-H482 HydrophobicContact CD1-CB 3.99Å; L467-H482 HydrophobicContact CD2-CB 4.17Å; L467-A483 HydrophobicContact CB-CB 3.86Å; L467-M486 HydrophobicContact CD1-CB 4.17Å; L467-M486 HydrophobicContact CD1-CG 3.63Å
468	L	98	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-39.6	176.6	-169	61.8	0	0	0	112.7	I189 A192 L193 M224 V464 T466 E470 A471 I472 V480	I189-L468 HydrophobicContact CB-CD2 4.34Å; I189-L468 HydrophobicContact CG1-CD2 4.32Å; I189-L468 HydrophobicContact CG2-CD1 3.85Å; I189-L468 HydrophobicContact CG2-CD2 4.35Å; A192-L468 HydrophobicContact CB-CD2 3.34Å; A192-L468 HydrophobicContact CB-CG 4.45Å; L193-L468 HydrophobicContact CD1-CD1 4.28Å; L193-L468 HydrophobicContact CD2-CD1 3.72Å; L193-L468 HydrophobicContact CG-CD1 3.87Å; M224-L468 HydrophobicContact CE-CD2 4.48Å; M224-L468 HydrophobicContact CG-CD2 4.43Å; M224-L468 HydrophobicContact SD-CB 4.48Å; M224-L468 HydrophobicContact SD-CD2 3.32Å; M224-L468 WeakPolarHBondContact SD-CD2 3.48Å; M224-L468 HydrophobicContact SD-CG 4.48Å; V464-L468 WeakPolarHBondContact O-CB 3.4Å; V464-L468 PolarHBondContact O-N 2.98Å; T466-L468 VanDerWaalsContact C-N 3.3Å; T466-L468 PolarHBondContact O-N 3.1Å; L468-E470 VanDerWaalsContact C-N 3.31Å; L468-E470 PolarHBondContact O-N 3.25Å; L468-A471 HydrophobicContact CD1-CB 4.4Å; L468-A471 WeakPolarHBondContact O-CB 3.42Å; L468-A471 PolarHBondContact O-N 2.99Å; L468-I472 PolarHBondContact O-N 3.11Å; L468-V480 HydrophobicContact CD1-CG2 4.44Å
469	T	95.7	Very high	97.8	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-41.7	174.9	-57.3	0	0	0	0	110.5	W227 A228 Q465 T466 I472 L473	W227-T469 HydrophobicContact CD2-CG2 4.32Å; W227-T469 HydrophobicContact CG-CG2 4.02Å; A228-T469 HydrophobicContact CB-CG2 4.44Å; Q465-T469 VanDerWaalsContact O-CB 3.31Å; Q465-T469 WeakPolarHBondContact O-CB 3.37Å; Q465-T469 PolarHBondContact O-N 2.78Å; Q465-T469 PolarHBondContact O-OG1 3.4Å; T466-T469 PolarHBondContact O-N 3Å; T469-I472 WeakPolarHBondContact O-CG2 3.18Å; T469-L473 HydrophobicContact CG2-CD1 3.77Å; T469-L473 HydrophobicContact CG2-CG 4.43Å; T469-L473 WeakPolarHBondContact O-CB 3.45Å; T469-L473 WeakPolarHBondContact O-CD1 3.33Å; T469-L473 WeakPolarHBondContact O-CG 3.35Å; T469-L473 PolarHBondContact O-N 2.86Å; T469-L473 VanDerWaalsContact O-N 3.08Å
470	E	96.8	Very high	97.8	Very high	73 Å²	73	38.6 Å²	38.6	34%	0.341	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-44.1	172	-71.9	178.7	178	0	0	112	T466 L467 L468 I472 L473 T474 R479	T466-E470 WeakPolarHBondContact O-CG 3.47Å; T466-E470 PolarHBondContact O-N 3.48Å; L467-E470 PolarHBondContact O-N 2.97Å; L468-E470 VanDerWaalsContact C-N 3.31Å; L468-E470 PolarHBondContact O-N 3.25Å; E470-I472 VanDerWaalsContact C-N 3.31Å; E470-I472 PolarHBondContact O-N 3.24Å; E470-L473 PolarHBondContact O-N 2.67Å; E470-T474 WeakPolarHBondContact O-CB 2.99Å; E470-T474 PolarHBondContact O-N 2.74Å; E470-T474 PolarHBondContact O-OG1 3.45Å; E470-R479 IonicContact OE2-CZ 2.75Å; E470-R479 IonicContact OE2-NE 3.45Å; E470-R479 PolarHBondContact OE2-NE 3.05Å; E470-R479 IonicContact OE2-NH1 3.52Å; E470-R479 IonicContact OE2-NH2 3.57Å
471	A	98.1	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.8	-48.1	179.5	0	0	0	0	0	111.1	L467 L468 E475 N476 R479 V480 W517	L467-A471 WeakPolarHBondContact O-CB 3.45Å; L467-A471 PolarHBondContact O-N 3.18Å; L468-A471 HydrophobicContact CD1-CB 4.4Å; L468-A471 WeakPolarHBondContact O-CB 3.42Å; L468-A471 PolarHBondContact O-N 2.99Å; A471-E475 CarbonylContact O-C 3.54Å; A471-E475 WeakPolarHBondContact O-CA 3.18Å; A471-E475 PolarHBondContact O-N 3.41Å; A471-N476 WeakPolarHBondContact CB-O 3.34Å; A471-N476 PolarHBondContact O-N 3.41Å; A471-R479 HydrophobicContact CB-CB 3.51Å; A471-V480 HydrophobicContact CB-CG2 3.86Å; A471-W517 HydrophobicContact CB-CH2 4.29Å
472	I	96.7	Very high	97.9	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-76.7	-34.7	-176.3	-161.8	151.4	0	0	0	113.2	L193 I196 P197 W200 A228 L468 T469 E470 T474 W517	L193-I472 HydrophobicContact CD2-CD1 4.48Å; I196-I472 HydrophobicContact CB-CD1 3.51Å; I196-I472 HydrophobicContact CD1-CD1 4.07Å; I196-I472 HydrophobicContact CD1-CG2 4.3Å; I196-I472 HydrophobicContact CG1-CD1 4.38Å; I196-I472 HydrophobicContact CG2-CD1 3.48Å; I196-I472 VanDerWaalsContact CG2-CD1 3.48Å; I196-I472 HydrophobicContact CG2-CG1 4.15Å; I196-I472 HydrophobicContact CG2-CG2 4.27Å; P197-I472 HydrophobicContact CG-CD1 4.25Å; W200-I472 HydrophobicContact CH2-CB 4.43Å; W200-I472 HydrophobicContact CH2-CG1 3.85Å; W200-I472 HydrophobicContact CH2-CG2 4.06Å; W200-I472 HydrophobicContact CZ2-CG2 4.21Å; W200-I472 HydrophobicContact CZ3-CG1 4.07Å; A228-I472 HydrophobicContact CB-CG2 4.48Å; L468-I472 PolarHBondContact O-N 3.11Å; T469-I472 WeakPolarHBondContact O-CG2 3.18Å; E470-I472 VanDerWaalsContact C-N 3.31Å; E470-I472 PolarHBondContact O-N 3.24Å; I472-T474 VanDerWaalsContact C-N 3.32Å; I472-W517 HydrophobicContact CB-CZ2 4.48Å; I472-W517 HydrophobicContact CG1-CZ2 4.39Å
473	L	96.2	Very high	97.9	Very high	76 Å²	76	40.3 Å²	40.3	40%	0.398	20%	0.199	S	C	.	.	H	α-helix	trans	-70.1	-30.4	177	-72.3	170.2	0	0	0	112.5	W200 A231 R232 T469 E470	W200-L473 HydrophobicContact CH2-CD2 3.95Å; W200-L473 HydrophobicContact CZ2-CD2 3.67Å; W200-L473 HydrophobicContact CZ2-CG 4.42Å; A231-L473 HydrophobicContact CB-CD1 3.71Å; A231-L473 HydrophobicContact CB-CD2 4.22Å; R232-L473 HydrophobicContact CB-CD2 4.28Å; T469-L473 HydrophobicContact CG2-CD1 3.77Å; T469-L473 HydrophobicContact CG2-CG 4.43Å; T469-L473 WeakPolarHBondContact O-CB 3.45Å; T469-L473 WeakPolarHBondContact O-CD1 3.33Å; T469-L473 WeakPolarHBondContact O-CG 3.35Å; T469-L473 PolarHBondContact O-N 2.86Å; T469-L473 VanDerWaalsContact O-N 3.08Å; E470-L473 PolarHBondContact O-N 2.67Å
474	T	97	Very high	97.9	Very high	92 Å²	92	37.6 Å²	37.6	56%	0.564	19%	0.185	S	C	*	.	H	α-helix	trans	-107.9	1.6	-176.7	64.3	0	0	0	0	113.8	E470 I472 N476	E470-T474 WeakPolarHBondContact O-CB 2.99Å; E470-T474 PolarHBondContact O-N 2.74Å; E470-T474 PolarHBondContact O-OG1 3.45Å; I472-T474 VanDerWaalsContact C-N 3.32Å; T474-N476 PolarHBondContact O-N 3.18Å; T474-N476 VanDerWaalsContact OG1-CB 3.3Å; T474-N476 WeakPolarHBondContact OG1-CB 3.4Å
475	E	97.8	Very high	97.9	Very high	98 Å²	98	39.6 Å²	39.6	46%	0.458	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	42.3	-172.6	-58.8	-170.5	172.5	0	0	113.1	A471 W517 R520	A471-E475 CarbonylContact O-C 3.54Å; A471-E475 WeakPolarHBondContact O-CA 3.18Å; A471-E475 PolarHBondContact O-N 3.41Å; E475-W517 HydrophobicContact CB-CB 3.97Å; E475-W517 HydrophobicContact CB-CD2 3.91Å; E475-W517 HydrophobicContact CB-CE3 4.3Å; E475-W517 HydrophobicContact CB-CG 3.75Å; E475-W517 HydrophobicContact CG-CB 4.33Å; E475-W517 HydrophobicContact CG-CD2 4.34Å; E475-W517 HydrophobicContact CG-CG 3.92Å; E475-R520 IonicContact OE2-CZ 2.75Å; E475-R520 IonicContact OE2-NH1 2.77Å; E475-R520 IonicContact OE2-NH2 2.67Å; E475-R520 PolarHBondContact OE2-NH2 2.88Å
476	N	97.8	Very high	97.9	Very high	58 Å²	58	43.8 Å²	43.8	31%	0.31	22%	0.216	S	C	.	.			trans	-105.2	106.7	-173.9	-173.9	-24.3	0	0	0	111.3	A471 T474 D478 R479	A471-N476 WeakPolarHBondContact CB-O 3.34Å; A471-N476 PolarHBondContact O-N 3.41Å; T474-N476 PolarHBondContact O-N 3.18Å; T474-N476 VanDerWaalsContact OG1-CB 3.3Å; T474-N476 WeakPolarHBondContact OG1-CB 3.4Å; N476-D478 VanDerWaalsContact C-N 3.34Å; N476-D478 PolarHBondContact O-N 2.9Å; N476-D478 VanDerWaalsContact OD1-CB 3.3Å; N476-D478 WeakPolarHBondContact OD1-CB 3.35Å; N476-D478 PolarHBondContact OD1-N 2.96Å; N476-R479 HydrophobicContact CB-CG 4.11Å; N476-R479 WeakPolarHBondContact O-CB 3.42Å; N476-R479 PolarHBondContact O-N 2.74Å
477	R	97.7	Very high	97.9	Very high	63 Å²	63	42.3 Å²	42.3	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35	179.2	-169.9	-175.7	170.6	168.8	-2.6	113.1	R479 V480 Y481 D504 I507 W517 L518 R520	R477-R479 PolarHBondContact O-N 2.95Å; R477-R479 VanDerWaalsContact O-N 3.17Å; R477-V480 WeakPolarHBondContact O-CB 3.47Å; R477-V480 PolarHBondContact O-N 3.11Å; R477-Y481 HydrophobicContact CG-CE2 3.8Å; R477-Y481 VanDerWaalsContact CZ-OH 3.25Å; R477-Y481 PolarHBondContact NE-OH 3.27Å; R477-Y481 PolarHBondContact NH2-OH 3.31Å; R477-Y481 WeakPolarHBondContact O-CD2 3.25Å; R477-D504 IonicContact CZ-OD1 3.9Å; R477-D504 IonicContact NH2-OD1 2.76Å; R477-D504 PolarHBondContact NH2-OD1 3.32Å; R477-I507 HydrophobicContact CG-CD1 4.46Å; R477-W517 HydrophobicContact CB-CZ3 4.4Å; R477-L518 WeakPolarHBondContact CD-O 3.25Å; R477-L518 HydrophobicContact CG-CD2 4.27Å; R477-L518 PolarHBondContact NE-O 3.02Å; R477-L518 PolarHBondContact NH1-O 3.22Å; R477-L518 VanDerWaalsContact NH1-O 3.1Å; R477-R520 PolarHBondContact NH1-OXT 2.96Å
478	D	98	Very high	97.9	Very high	94 Å²	94	42.2 Å²	42.2	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-56.8	-36.7	179	-65.3	-16	0	0	0	111.6	N476 V480 Y481 H482	N476-D478 VanDerWaalsContact C-N 3.34Å; N476-D478 PolarHBondContact O-N 2.9Å; N476-D478 VanDerWaalsContact OD1-CB 3.3Å; N476-D478 WeakPolarHBondContact OD1-CB 3.35Å; N476-D478 PolarHBondContact OD1-N 2.96Å; D478-V480 PolarHBondContact O-N 3Å; D478-Y481 PolarHBondContact O-N 3.33Å; D478-H482 PolarHBondContact O-N 2.89Å; D478-H482 PolarHBondContact O-ND1 2.82Å
479	R	98.3	Very high	97.9	Very high	88 Å²	88	42.3 Å²	42.3	33%	0.332	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-24.4	178.1	-68	-71.6	177.8	-175.3	5.3	113.5	E470 A471 N476 R477 A483	E470-R479 IonicContact OE2-CZ 2.75Å; E470-R479 IonicContact OE2-NE 3.45Å; E470-R479 PolarHBondContact OE2-NE 3.05Å; E470-R479 IonicContact OE2-NH1 3.52Å; E470-R479 IonicContact OE2-NH2 3.57Å; A471-R479 HydrophobicContact CB-CB 3.51Å; N476-R479 HydrophobicContact CB-CG 4.11Å; N476-R479 WeakPolarHBondContact O-CB 3.42Å; N476-R479 PolarHBondContact O-N 2.74Å; R477-R479 PolarHBondContact O-N 2.95Å; R477-R479 VanDerWaalsContact O-N 3.17Å; R479-A483 WeakPolarHBondContact O-CB 3.43Å; R479-A483 PolarHBondContact O-N 2.78Å
480	V	98.7	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.1	-44.7	173.9	-176.7	0	0	0	0	110.7	I189 M190 L193 L468 A471 R477 D478 H482 A483 A484 V503 W517 L518	I189-V480 HydrophobicContact CG2-CG1 3.82Å; M190-V480 HydrophobicContact CE-CG1 4.42Å; L193-V480 HydrophobicContact CD1-CG1 3.97Å; L193-V480 HydrophobicContact CD1-CG2 4.16Å; L193-V480 HydrophobicContact CD2-CG2 4.39Å; L468-V480 HydrophobicContact CD1-CG2 4.44Å; A471-V480 HydrophobicContact CB-CG2 3.86Å; R477-V480 WeakPolarHBondContact O-CB 3.47Å; R477-V480 PolarHBondContact O-N 3.11Å; D478-V480 PolarHBondContact O-N 3Å; V480-H482 VanDerWaalsContact C-N 3.34Å; V480-A483 WeakPolarHBondContact O-CB 3.17Å; V480-A483 PolarHBondContact O-N 3.1Å; V480-A484 PolarHBondContact O-N 3.49Å; V480-V503 HydrophobicContact CG1-CG1 4.01Å; V480-W517 HydrophobicContact CG2-CH2 4.12Å; V480-W517 HydrophobicContact CG2-CZ3 4.39Å; V480-L518 HydrophobicContact CG2-CD2 3.87Å
481	Y	98.6	Very high	98.1	Very high	16 Å²	16	41.1 Å²	41.1	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-45	172.9	-57.2	-80.8	0	0	0	111	R477 D478 A483 A484 M485 Y500 V503 D504	R477-Y481 HydrophobicContact CG-CE2 3.8Å; R477-Y481 VanDerWaalsContact CZ-OH 3.25Å; R477-Y481 PolarHBondContact NE-OH 3.27Å; R477-Y481 PolarHBondContact NH2-OH 3.31Å; R477-Y481 WeakPolarHBondContact O-CD2 3.25Å; D478-Y481 PolarHBondContact O-N 3.33Å; Y481-A483 VanDerWaalsContact C-N 3.28Å; Y481-A483 PolarHBondContact O-N 2.93Å; Y481-A484 PolarHBondContact O-N 2.89Å; Y481-M485 VanDerWaalsContact O-CG 3.26Å; Y481-M485 WeakPolarHBondContact O-CG 3.26Å; Y481-M485 PolarHBondContact O-N 2.79Å; Y481-Y500 AromaticContact CD1-CD1 3.67Å; Y481-Y500 HydrophobicContact CD1-CD1 3.67Å; Y481-Y500 HydrophobicContact CD1-CD2 4.33Å; Y481-Y500 AromaticContact CD1-CE1 3.98Å; Y481-Y500 HydrophobicContact CD1-CE1 3.98Å; Y481-Y500 AromaticContact CD1-CG 3.87Å; Y481-Y500 HydrophobicContact CD1-CG 3.87Å; Y481-Y500 HydrophobicContact CD2-CE1 4.25Å; Y481-Y500 AromaticContact CE1-CD1 3.91Å; Y481-Y500 HydrophobicContact CE1-CD1 3.91Å; Y481-Y500 HydrophobicContact CE1-CE1 4.45Å; Y481-Y500 HydrophobicContact CE1-CG 4.32Å; Y481-Y500 HydrophobicContact CG-CD1 4.05Å; Y481-Y500 AromaticContact CG-CE1 3.86Å; Y481-Y500 HydrophobicContact CG-CE1 3.86Å; Y481-Y500 HydrophobicContact CG-CG 4.49Å; Y481-V503 HydrophobicContact CD1-CB 3.6Å; Y481-V503 HydrophobicContact CD1-CG1 3.54Å; Y481-V503 HydrophobicContact CD1-CG2 4.13Å; Y481-V503 HydrophobicContact CE1-CB 3.66Å; Y481-V503 HydrophobicContact CE1-CG1 3.45Å; Y481-V503 VanDerWaalsContact CE1-CG1 3.45Å; Y481-V503 HydrophobicContact CG-CG1 4.27Å; Y481-D504 PolarHBondContact OH-OD1 3.02Å
482	H	98.6	Very high	98	Very high	65 Å²	65	43.2 Å²	43.2	30%	0.301	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-40.5	176.4	-59.8	149.7	0	0	0	112.1	L467 D478 V480 M485 M486	L467-H482 HydrophobicContact CD1-CB 3.99Å; L467-H482 HydrophobicContact CD2-CB 4.17Å; D478-H482 PolarHBondContact O-N 2.89Å; D478-H482 PolarHBondContact O-ND1 2.82Å; V480-H482 VanDerWaalsContact C-N 3.34Å; H482-M485 PolarHBondContact O-N 3.36Å; H482-M486 VanDerWaalsContact O-CG 3.31Å; H482-M486 WeakPolarHBondContact O-CG 3.06Å; H482-M486 PolarHBondContact O-N 2.93Å
483	A	98.7	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-46.6	176.1	0	0	0	0	0	111.3	I189 V464 L467 R479 V480 Y481 M485 M486 D487	I189-A483 HydrophobicContact CD1-CB 3.93Å; I189-A483 HydrophobicContact CG1-CB 4.44Å; V464-A483 HydrophobicContact CG1-CB 4.09Å; L467-A483 HydrophobicContact CB-CB 3.86Å; R479-A483 WeakPolarHBondContact O-CB 3.43Å; R479-A483 PolarHBondContact O-N 2.78Å; V480-A483 WeakPolarHBondContact O-CB 3.17Å; V480-A483 PolarHBondContact O-N 3.1Å; Y481-A483 VanDerWaalsContact C-N 3.28Å; Y481-A483 PolarHBondContact O-N 2.93Å; A483-M485 VanDerWaalsContact C-N 3.34Å; A483-M485 PolarHBondContact O-N 2.94Å; A483-M486 PolarHBondContact O-N 3.42Å; A483-D487 PolarHBondContact O-N 2.86Å; A483-D487 VanDerWaalsContact O-N 3.16Å
484	A	98.7	Very high	98.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-36.5	176.9	0	0	0	0	0	112.7	I189 V480 Y481 M486 D487 I499 V503	I189-A484 HydrophobicContact CD1-CB 4.09Å; V480-A484 PolarHBondContact O-N 3.49Å; Y481-A484 PolarHBondContact O-N 2.89Å; A484-M486 VanDerWaalsContact C-N 3.3Å; A484-M486 PolarHBondContact O-N 3.24Å; A484-D487 WeakPolarHBondContact O-CB 3.31Å; A484-D487 PolarHBondContact O-N 2.76Å; A484-I499 HydrophobicContact CB-CG2 3.74Å; A484-V503 HydrophobicContact CB-CG2 3.65Å
485	M	98.6	Very high	98.3	Very high	43 Å²	43	38.9 Å²	38.9	21%	0.212	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-30.1	174.5	-69.9	171.9	71.4	0	0	113.4	Y481 H482 A483 A491 I496 I499 Y500	Y481-M485 VanDerWaalsContact O-CG 3.26Å; Y481-M485 WeakPolarHBondContact O-CG 3.26Å; Y481-M485 PolarHBondContact O-N 2.79Å; H482-M485 PolarHBondContact O-N 3.36Å; A483-M485 VanDerWaalsContact C-N 3.34Å; A483-M485 PolarHBondContact O-N 2.94Å; M485-A491 WeakPolarHBondContact O-CB 3.14Å; M485-I496 HydrophobicContact CE-CD1 4.42Å; M485-I496 HydrophobicContact CE-CG1 4.27Å; M485-I496 HydrophobicContact CE-CG2 4.24Å; M485-I499 HydrophobicContact CG-CG2 3.99Å; M485-Y500 HydrophobicContact CG-CE2 4.42Å; M485-Y500 HydrophobicContact SD-CE2 3.66Å
486	M	98.5	Very high	98.3	Very high	90 Å²	90	39.1 Å²	39.1	44%	0.443	22%	0.215	S	C	.	.	H	α-helix	trans	-88.1	-9.4	179.4	-67.5	-60.5	101.7	0	0	113	N463 V464 L467 H482 A483 A484 P488	N463-M486 HydrophobicContact CB-CB 4.31Å; V464-M486 HydrophobicContact CG2-CB 4.32Å; L467-M486 HydrophobicContact CD1-CB 4.17Å; L467-M486 HydrophobicContact CD1-CG 3.63Å; H482-M486 VanDerWaalsContact O-CG 3.31Å; H482-M486 WeakPolarHBondContact O-CG 3.06Å; H482-M486 PolarHBondContact O-N 2.93Å; A483-M486 PolarHBondContact O-N 3.42Å; A484-M486 VanDerWaalsContact C-N 3.3Å; A484-M486 PolarHBondContact O-N 3.24Å; M486-P488 WeakPolarHBondContact O-CD 3.42Å
487	D	98.5	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.			trans	-64.9	122.1	175.6	178	76.6	0	0	0	110.5	L184 G185 V464 A483 A484 H489 T490 A491	L184-D487 VanDerWaalsContact CD2-OD1 3.26Å; L184-D487 WeakPolarHBondContact CD2-OD1 3.41Å; G185-D487 VanDerWaalsContact CA-OD1 3.24Å; G185-D487 WeakPolarHBondContact CA-OD1 3.35Å; G185-D487 PolarHBondContact N-OD1 2.83Å; V464-D487 HydrophobicContact CG2-CB 4.11Å; A483-D487 PolarHBondContact O-N 2.86Å; A483-D487 VanDerWaalsContact O-N 3.16Å; A484-D487 WeakPolarHBondContact O-CB 3.31Å; A484-D487 PolarHBondContact O-N 2.76Å; D487-H489 VanDerWaalsContact C-N 3.33Å; D487-H489 PolarHBondContact O-N 2.64Å; D487-H489 PolarHBondContact OD2-N 2.88Å; D487-T490 PolarHBondContact O-N 3.48Å; D487-T490 VanDerWaalsContact OD2-CB 3.25Å; D487-T490 WeakPolarHBondContact OD2-CB 3.12Å; D487-T490 PolarHBondContact OD2-N 2.9Å; D487-T490 PolarHBondContact OD2-OG1 2.92Å; D487-A491 VanDerWaalsContact O-CB 3.23Å; D487-A491 WeakPolarHBondContact O-CB 3.43Å; D487-A491 PolarHBondContact O-N 3.14Å
488	P	98.3	Very high	98.4	Very high	20 Å²	20	44.9 Å²	44.9	13%	0.13	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-39.5	-169.9	-26.8	36.2	0	0	0	113.8	M486 A492	M486-P488 WeakPolarHBondContact O-CD 3.42Å; P488-A492 VanDerWaalsContact O-CB 3.23Å; P488-A492 WeakPolarHBondContact O-CB 3.21Å; P488-A492 PolarHBondContact O-N 2.87Å
489	H	98.2	Very high	98.4	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-74.3	-49.6	-178.1	172.9	-158.6	0	0	0	110.5	E177 E340 I346 D487 A491 A492 V493	E177-H489 PolarHBondContact O-CE1 3.48Å; E340-H489 WeakPolarHBondContact O-CB 3.4Å; I346-H489 WeakPolarHBondContact CB-NE2 3.47Å; I346-H489 WeakPolarHBondContact CG2-NE2 3.35Å; D487-H489 VanDerWaalsContact C-N 3.33Å; D487-H489 PolarHBondContact O-N 2.64Å; D487-H489 PolarHBondContact OD2-N 2.88Å; H489-A491 VanDerWaalsContact C-N 3.34Å; H489-A491 PolarHBondContact O-N 2.96Å; H489-A492 PolarHBondContact O-N 3.46Å; H489-V493 WeakPolarHBondContact O-CG2 3.33Å; H489-V493 PolarHBondContact O-N 2.83Å
490	T	98.5	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-50.4	176.9	-54.1	0	0	0	0	111	L176 P186 D487 A492 V493 L494 I499	L176-T490 HydrophobicContact CD2-CG2 4.21Å; P186-T490 VanDerWaalsContact CD-OG1 3.27Å; P186-T490 WeakPolarHBondContact CD-OG1 3.24Å; P186-T490 HydrophobicContact CG-CG2 4.23Å; D487-T490 PolarHBondContact O-N 3.48Å; D487-T490 VanDerWaalsContact OD2-CB 3.25Å; D487-T490 WeakPolarHBondContact OD2-CB 3.12Å; D487-T490 PolarHBondContact OD2-N 2.9Å; D487-T490 PolarHBondContact OD2-OG1 2.92Å; T490-A492 PolarHBondContact O-N 2.77Å; T490-V493 PolarHBondContact O-N 3.38Å; T490-L494 HydrophobicContact CG2-CD1 4.21Å; T490-L494 PolarHBondContact O-N 3.07Å; T490-I499 HydrophobicContact CG2-CD1 4Å; T490-I499 HydrophobicContact CG2-CG1 3.84Å
491	A	98	Very high	98.4	Very high	51 Å²	51	42.2 Å²	42.2	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-67.5	-20.9	-179.7	0	0	0	0	0	113.9	M485 D487 H489	M485-A491 WeakPolarHBondContact O-CB 3.14Å; D487-A491 VanDerWaalsContact O-CB 3.23Å; D487-A491 WeakPolarHBondContact O-CB 3.43Å; D487-A491 PolarHBondContact O-N 3.14Å; H489-A491 VanDerWaalsContact C-N 3.34Å; H489-A491 PolarHBondContact O-N 2.96Å
492	A	97.5	Very high	98.5	Very high	45 Å²	45	41.4 Å²	41.4	37%	0.372	24%	0.236	S	C	.	.	H	α-helix	trans	-83.7	-13.6	174.7	0	0	0	0	0	113.3	P343 P488 H489 T490	P343-A492 HydrophobicContact CB-CB 3.65Å; P488-A492 VanDerWaalsContact O-CB 3.23Å; P488-A492 WeakPolarHBondContact O-CB 3.21Å; P488-A492 PolarHBondContact O-N 2.87Å; H489-A492 PolarHBondContact O-N 3.46Å; T490-A492 PolarHBondContact O-N 2.77Å
493	V	98.1	Very high	98.5	Very high	29 Å²	29	38.4 Å²	38.4	18%	0.176	22%	0.222	C	C	.	.	H	α-helix	trans	-110.3	-41.7	-175.1	174.2	0	0	0	0	111.7	L176 P348 H489 T490	L176-V493 HydrophobicContact CD1-CB 4.05Å; L176-V493 HydrophobicContact CD1-CG1 4.14Å; L176-V493 HydrophobicContact CD1-CG2 4.23Å; P348-V493 HydrophobicContact CG-CG1 3.73Å; P348-V493 HydrophobicContact CG-CG2 4.46Å; H489-V493 WeakPolarHBondContact O-CG2 3.33Å; H489-V493 PolarHBondContact O-N 2.83Å; T490-V493 PolarHBondContact O-N 3.38Å
494	L	98.4	Very high	98.5	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.084	24%	0.237	C	C	.	.			trans	-115.1	148.1	-171.1	-56.9	-177.7	0	0	0	112.3	H174 L176 T490 E498 I499 L502	H174-L494 WeakPolarHBondContact O-CD2 3.35Å; L176-L494 HydrophobicContact CB-CD1 4.24Å; T490-L494 HydrophobicContact CG2-CD1 4.21Å; T490-L494 PolarHBondContact O-N 3.07Å; L494-E498 HydrophobicContact CB-CB 4.1Å; L494-E498 HydrophobicContact CD2-CB 4.43Å; L494-I499 HydrophobicContact CB-CD1 4.3Å; L494-I499 HydrophobicContact CB-CG1 3.66Å; L494-I499 HydrophobicContact CD1-CG1 4.33Å; L494-L502 HydrophobicContact CD1-CD2 3.75Å
495	G	98.1	Very high	98.5	Very high	36 Å²	36	44.6 Å²	44.6	37%	0.371	26%	0.255	S	S	.	.			trans	-79.5	169.7	167.4	0	0	0	0	0	112.8	D497 E498 I499	G495-D497 PolarHBondContact O-N 3.37Å; G495-E498 PolarHBondContact N-OE2 3.2Å; G495-E498 PolarHBondContact O-N 2.99Å; G495-I499 VanDerWaalsContact O-CG1 3.31Å; G495-I499 WeakPolarHBondContact O-CG1 3.4Å; G495-I499 PolarHBondContact O-N 3.31Å
496	I	98.5	Very high	98.5	Very high	103 Å²	103	42.5 Å²	42.5	53%	0.528	25%	0.245	S	C	.	.	H	α-helix	trans	-56.8	-51.4	-174.7	-61.2	174.7	0	0	0	111.7	M485 E498 I499 Y500	M485-I496 HydrophobicContact CE-CD1 4.42Å; M485-I496 HydrophobicContact CE-CG1 4.27Å; M485-I496 HydrophobicContact CE-CG2 4.24Å; I496-E498 VanDerWaalsContact C-N 3.27Å; I496-E498 PolarHBondContact O-N 3.27Å; I496-I499 PolarHBondContact O-N 2.52Å; I496-I499 VanDerWaalsContact O-N 3.17Å; I496-Y500 HydrophobicContact CG2-CD2 4.05Å; I496-Y500 HydrophobicContact CG2-CE2 3.96Å; I496-Y500 VanDerWaalsContact O-CD2 3.32Å; I496-Y500 WeakPolarHBondContact O-CD2 3.24Å; I496-Y500 PolarHBondContact O-N 3.17Å
497	D	98.6	Very high	98.5	Very high	140 Å²	140	38.4 Å²	38.4	75%	0.749	23%	0.225	S	C	*	.	H	α-helix	trans	-63.8	-34.6	-177.7	-63	-22.2	0	0	0	112	G495 Y500 A501	G495-D497 PolarHBondContact O-N 3.37Å; D497-Y500 PolarHBondContact O-N 3.14Å; D497-A501 WeakPolarHBondContact O-CB 3.45Å; D497-A501 PolarHBondContact O-N 3.04Å
498	E	98.7	Very high	98.5	Very high	102 Å²	102	42 Å²	42	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-68.7	-39.2	176.3	-64.1	169	148.3	0	0	111.2	L494 G495 I496 A501 L502	L494-E498 HydrophobicContact CB-CB 4.1Å; L494-E498 HydrophobicContact CD2-CB 4.43Å; G495-E498 PolarHBondContact N-OE2 3.2Å; G495-E498 PolarHBondContact O-N 2.99Å; I496-E498 VanDerWaalsContact C-N 3.27Å; I496-E498 PolarHBondContact O-N 3.27Å; E498-A501 PolarHBondContact O-N 2.79Å; E498-L502 WeakPolarHBondContact O-CB 3.49Å; E498-L502 PolarHBondContact O-N 3.05Å
499	I	98.8	Very high	98.5	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-42.2	175	-67	173.1	0	0	0	111	A484 M485 T490 L494 G495 I496 L502 V503	A484-I499 HydrophobicContact CB-CG2 3.74Å; M485-I499 HydrophobicContact CG-CG2 3.99Å; T490-I499 HydrophobicContact CG2-CD1 4Å; T490-I499 HydrophobicContact CG2-CG1 3.84Å; L494-I499 HydrophobicContact CB-CD1 4.3Å; L494-I499 HydrophobicContact CB-CG1 3.66Å; L494-I499 HydrophobicContact CD1-CG1 4.33Å; G495-I499 VanDerWaalsContact O-CG1 3.31Å; G495-I499 WeakPolarHBondContact O-CG1 3.4Å; G495-I499 PolarHBondContact O-N 3.31Å; I496-I499 PolarHBondContact O-N 2.52Å; I496-I499 VanDerWaalsContact O-N 3.17Å; I499-L502 PolarHBondContact O-N 2.97Å; I499-V503 WeakPolarHBondContact O-CG2 3.31Å; I499-V503 PolarHBondContact O-N 3.28Å
500	Y	98.7	Very high	98.5	Very high	82 Å²	82	43.5 Å²	43.5	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-47.4	176.3	-88.1	-113.9	0	0	0	111.2	Y481 M485 I496 D497 L502 V503 D504	Y481-Y500 AromaticContact CD1-CD1 3.67Å; Y481-Y500 HydrophobicContact CD1-CD1 3.67Å; Y481-Y500 HydrophobicContact CD1-CD2 4.33Å; Y481-Y500 AromaticContact CD1-CE1 3.98Å; Y481-Y500 HydrophobicContact CD1-CE1 3.98Å; Y481-Y500 AromaticContact CD1-CG 3.87Å; Y481-Y500 HydrophobicContact CD1-CG 3.87Å; Y481-Y500 HydrophobicContact CD2-CE1 4.25Å; Y481-Y500 AromaticContact CE1-CD1 3.91Å; Y481-Y500 HydrophobicContact CE1-CD1 3.91Å; Y481-Y500 HydrophobicContact CE1-CE1 4.45Å; Y481-Y500 HydrophobicContact CE1-CG 4.32Å; Y481-Y500 HydrophobicContact CG-CD1 4.05Å; Y481-Y500 AromaticContact CG-CE1 3.86Å; Y481-Y500 HydrophobicContact CG-CE1 3.86Å; Y481-Y500 HydrophobicContact CG-CG 4.49Å; M485-Y500 HydrophobicContact CG-CE2 4.42Å; M485-Y500 HydrophobicContact SD-CE2 3.66Å; I496-Y500 HydrophobicContact CG2-CD2 4.05Å; I496-Y500 HydrophobicContact CG2-CE2 3.96Å; I496-Y500 VanDerWaalsContact O-CD2 3.32Å; I496-Y500 WeakPolarHBondContact O-CD2 3.24Å; I496-Y500 PolarHBondContact O-N 3.17Å; D497-Y500 PolarHBondContact O-N 3.14Å; Y500-L502 VanDerWaalsContact C-N 3.3Å; Y500-L502 PolarHBondContact O-N 2.91Å; Y500-V503 PolarHBondContact O-N 3.39Å; Y500-D504 PolarHBondContact O-N 2.99Å
501	A	98.8	Very high	98.4	Very high	39 Å²	39	44.4 Å²	44.4	32%	0.322	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-40.4	176.4	0	0	0	0	0	112.2	D497 E498 D504 D505	D497-A501 WeakPolarHBondContact O-CB 3.45Å; D497-A501 PolarHBondContact O-N 3.04Å; E498-A501 PolarHBondContact O-N 2.79Å; A501-D504 PolarHBondContact O-N 3.3Å; A501-D505 WeakPolarHBondContact O-CB 3.22Å; A501-D505 PolarHBondContact O-N 3.09Å
502	L	98.8	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-48.1	175.3	171.1	58.5	0	0	0	112	V170 C171 H174 L176 P186 L494 E498 I499 Y500 D504 D505 L506	V170-L502 HydrophobicContact CG1-CD1 4.01Å; C171-L502 HydrophobicContact CB-CD1 4.42Å; H174-L502 HydrophobicContact CB-CB 4.32Å; H174-L502 HydrophobicContact CB-CD1 4.1Å; H174-L502 PolarHBondContact CE1-N 3.35Å; L176-L502 HydrophobicContact CD2-CD2 3.91Å; P186-L502 HydrophobicContact CB-CD2 4.23Å; P186-L502 HydrophobicContact CG-CD2 3.83Å; L494-L502 HydrophobicContact CD1-CD2 3.75Å; E498-L502 WeakPolarHBondContact O-CB 3.49Å; E498-L502 PolarHBondContact O-N 3.05Å; I499-L502 PolarHBondContact O-N 2.97Å; Y500-L502 VanDerWaalsContact C-N 3.3Å; Y500-L502 PolarHBondContact O-N 2.91Å; L502-D504 VanDerWaalsContact C-N 3.35Å; L502-D505 PolarHBondContact O-N 3.09Å; L502-L506 HydrophobicContact CD1-CD1 3.79Å; L502-L506 HydrophobicContact CD1-CG 4.05Å; L502-L506 HydrophobicContact CG-CD1 3.99Å; L502-L506 WeakPolarHBondContact O-CB 3.31Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 3.36Å
503	V	98.8	Very high	98.4	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-41.5	179.6	171.9	0	0	0	0	110.9	M190 V480 Y481 A484 I499 Y500 L506 I507	M190-V503 HydrophobicContact CE-CG1 4.17Å; V480-V503 HydrophobicContact CG1-CG1 4.01Å; Y481-V503 HydrophobicContact CD1-CB 3.6Å; Y481-V503 HydrophobicContact CD1-CG1 3.54Å; Y481-V503 HydrophobicContact CD1-CG2 4.13Å; Y481-V503 HydrophobicContact CE1-CB 3.66Å; Y481-V503 HydrophobicContact CE1-CG1 3.45Å; Y481-V503 VanDerWaalsContact CE1-CG1 3.45Å; Y481-V503 HydrophobicContact CG-CG1 4.27Å; A484-V503 HydrophobicContact CB-CG2 3.65Å; I499-V503 WeakPolarHBondContact O-CG2 3.31Å; I499-V503 PolarHBondContact O-N 3.28Å; Y500-V503 PolarHBondContact O-N 3.39Å; V503-L506 PolarHBondContact O-N 2.77Å; V503-I507 HydrophobicContact CG1-CD1 3.83Å; V503-I507 HydrophobicContact CG1-CG1 4.43Å; V503-I507 VanDerWaalsContact O-CG1 3.31Å; V503-I507 WeakPolarHBondContact O-CG1 3.31Å; V503-I507 PolarHBondContact O-N 2.82Å
504	D	98.7	Very high	98.4	Very high	60 Å²	60	52.8 Å²	52.8	32%	0.321	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-46.6	176	-76.4	-24.4	0	0	0	112	R477 Y481 Y500 A501 L502 L506 I507 A508	R477-D504 IonicContact CZ-OD1 3.9Å; R477-D504 IonicContact NH2-OD1 2.76Å; R477-D504 PolarHBondContact NH2-OD1 3.32Å; Y481-D504 PolarHBondContact OH-OD1 3.02Å; Y500-D504 PolarHBondContact O-N 2.99Å; A501-D504 PolarHBondContact O-N 3.3Å; L502-D504 VanDerWaalsContact C-N 3.35Å; D504-L506 VanDerWaalsContact C-N 3.34Å; D504-L506 PolarHBondContact O-N 2.93Å; D504-I507 PolarHBondContact O-N 3.32Å; D504-A508 WeakPolarHBondContact O-CB 3.45Å; D504-A508 PolarHBondContact O-N 2.86Å
505	D	98.8	Very high	98.3	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-36.9	178	-81.6	-6.4	0	0	0	112.3	V170 H174 A501 L502 A509	V170-D505 HydrophobicContact CG1-CB 3.73Å; H174-D505 IonicContact CD2-OD2 3.54Å; H174-D505 IonicContact CE1-OD2 3.65Å; H174-D505 PolarHBondContact CE1-OD2 3.23Å; H174-D505 IonicContact NE2-OD2 2.73Å; H174-D505 PolarHBondContact NE2-OD2 2.7Å; A501-D505 WeakPolarHBondContact O-CB 3.22Å; A501-D505 PolarHBondContact O-N 3.09Å; L502-D505 PolarHBondContact O-N 3.09Å; D505-A509 WeakPolarHBondContact O-CB 2.87Å; D505-A509 PolarHBondContact O-N 3.46Å
506	L	98.8	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-45.6	174.8	-80.5	167.2	0	0	0	111.1	V170 P186 M190 L502 V503 D504 A508 A509 H510	V170-L506 HydrophobicContact CB-CD2 3.64Å; V170-L506 HydrophobicContact CB-CG 4.12Å; V170-L506 HydrophobicContact CG1-CD2 3.87Å; V170-L506 HydrophobicContact CG1-CG 3.75Å; V170-L506 HydrophobicContact CG2-CD2 4.06Å; P186-L506 HydrophobicContact CB-CD1 3.59Å; M190-L506 HydrophobicContact CE-CB 3.49Å; M190-L506 VanDerWaalsContact CE-CB 3.49Å; M190-L506 HydrophobicContact CE-CD1 3.87Å; M190-L506 HydrophobicContact CE-CG 4.3Å; M190-L506 HydrophobicContact CG-CB 4.05Å; M190-L506 HydrophobicContact CG-CD1 4.05Å; M190-L506 HydrophobicContact CG-CD2 4.28Å; M190-L506 HydrophobicContact CG-CG 4.36Å; M190-L506 HydrophobicContact SD-CB 3.93Å; L502-L506 HydrophobicContact CD1-CD1 3.79Å; L502-L506 HydrophobicContact CD1-CG 4.05Å; L502-L506 HydrophobicContact CG-CD1 3.99Å; L502-L506 WeakPolarHBondContact O-CB 3.31Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 3.36Å; V503-L506 PolarHBondContact O-N 2.77Å; D504-L506 VanDerWaalsContact C-N 3.34Å; D504-L506 PolarHBondContact O-N 2.93Å; L506-A508 VanDerWaalsContact C-N 3.35Å; L506-A508 PolarHBondContact O-N 3.34Å; L506-A509 PolarHBondContact O-N 2.57Å; L506-H510 WeakPolarHBondContact O-CB 3.45Å; L506-H510 PolarHBondContact O-CD2 2.86Å; L506-H510 PolarHBondContact O-N 3.31Å
507	I	98.7	Very high	98.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-47.9	176.8	-70.1	168.5	0	0	0	110	M190 R477 V503 D504 A509 G511 L514 L518 H519	M190-I507 HydrophobicContact CE-CG1 4.25Å; R477-I507 HydrophobicContact CG-CD1 4.46Å; V503-I507 HydrophobicContact CG1-CD1 3.83Å; V503-I507 HydrophobicContact CG1-CG1 4.43Å; V503-I507 VanDerWaalsContact O-CG1 3.31Å; V503-I507 WeakPolarHBondContact O-CG1 3.31Å; V503-I507 PolarHBondContact O-N 2.82Å; D504-I507 PolarHBondContact O-N 3.32Å; I507-A509 PolarHBondContact O-N 3.39Å; I507-G511 PolarHBondContact O-N 2.83Å; I507-L514 HydrophobicContact CB-CD1 4.33Å; I507-L514 HydrophobicContact CG1-CD1 4.2Å; I507-L514 HydrophobicContact CG2-CD1 4.47Å; I507-L518 HydrophobicContact CD1-CD2 4.23Å; I507-L518 HydrophobicContact CG2-CB 4.28Å; I507-H519 PolarHBondContact O-CE1 3.28Å
508	A	98.4	Very high	98.1	Very high	74 Å²	74	43.5 Å²	43.5	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-63.3	-41.8	179.6	0	0	0	0	0	112.6	D504 L506	D504-A508 WeakPolarHBondContact O-CB 3.45Å; D504-A508 PolarHBondContact O-N 2.86Å; L506-A508 VanDerWaalsContact C-N 3.35Å; L506-A508 PolarHBondContact O-N 3.34Å
509	A	98.4	Very high	98	Very high	51 Å²	51	42.6 Å²	42.6	42%	0.421	25%	0.25	S	C	.	.	H	α-helix	trans	-71.6	-36	-178.2	0	0	0	0	0	113	T166 V170 D505 L506 I507	T166-A509 HydrophobicContact CG2-CB 3.59Å; V170-A509 HydrophobicContact CG2-CB 3.85Å; D505-A509 WeakPolarHBondContact O-CB 2.87Å; D505-A509 PolarHBondContact O-N 3.46Å; L506-A509 PolarHBondContact O-N 2.57Å; I507-A509 PolarHBondContact O-N 3.39Å
510	H	98.4	Very high	97.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-75.4	-30.5	175.1	-77.1	-63.5	0	0	0	112.7	C163 D167 R194 L506 D512 W513 L514	C163-H510 PolarHBondContact O-CE1 3.32Å; D167-H510 IonicContact OD1-CD2 3.94Å; D167-H510 IonicContact OD1-CE1 3.49Å; D167-H510 PolarHBondContact OD1-CE1 3.16Å; D167-H510 IonicContact OD1-NE2 2.85Å; D167-H510 PolarHBondContact OD1-NE2 3.39Å; R194-H510 PolarHBondContact NH1-CE1 3.4Å; R194-H510 PolarHBondContact NH1-NE2 3.21Å; R194-H510 VanDerWaalsContact NH1-NE2 3.13Å; L506-H510 WeakPolarHBondContact O-CB 3.45Å; L506-H510 PolarHBondContact O-CD2 2.86Å; L506-H510 PolarHBondContact O-N 3.31Å; H510-D512 PolarHBondContact O-N 3.4Å; H510-W513 HydrophobicContact CB-CB 4.46Å; H510-W513 WeakPolarHBondContact O-CB 3.47Å; H510-W513 PolarHBondContact O-N 3.23Å; H510-W513 VanDerWaalsContact O-N 3.14Å; H510-L514 HydrophobicContact CB-CD1 3.58Å; H510-L514 HydrophobicContact CB-CG 3.7Å
511	G	97.3	Very high	97.4	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	54.2	-126.2	175.1	0	0	0	0	0	112.7	I507 W513 L514 H519	I507-G511 PolarHBondContact O-N 2.83Å; G511-W513 PolarHBondContact O-N 3.45Å; G511-W513 VanDerWaalsContact O-N 3.13Å; G511-L514 PolarHBondContact O-N 2.97Å; G511-H519 PolarHBondContact O-CE1 3Å; G511-H519 PolarHBondContact O-NE2 3.23Å
512	D	96.7	Very high	97.3	Very high	168 Å²	168	50.7 Å²	50.7	90%	0.898	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.2	-6.4	-175.6	-63.4	-26.8	0	0	0	114.4	H510 L514	H510-D512 PolarHBondContact O-N 3.4Å; D512-L514 PolarHBondContact O-N 3.49Å
513	W	97.3	Very high	97.2	Very high	125 Å²	125	53.5 Å²	53.5	47%	0.473	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-68.6	-21.5	168.6	-67.2	113.6	0	0	0	112.4	P162 R194 H510 G511	P162-W513 HydrophobicContact CG-CZ2 4.4Å; R194-W513 HydrophobicContact CG-CB 4.37Å; R194-W513 WeakPolarHBondContact CG-O 3.34Å; H510-W513 HydrophobicContact CB-CB 4.46Å; H510-W513 WeakPolarHBondContact O-CB 3.47Å; H510-W513 PolarHBondContact O-N 3.23Å; H510-W513 VanDerWaalsContact O-N 3.14Å; G511-W513 PolarHBondContact O-N 3.45Å; G511-W513 VanDerWaalsContact O-N 3.13Å
514	L	98.2	Very high	97.1	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	31%	0.312	C	S	.	.	S	Bend	trans	-98.7	151.5	178.5	-70	174	0	0	0	111.6	M190 L193 R194 I507 H510 G511 D512 G516 L518	M190-L514 HydrophobicContact SD-CD1 4.06Å; M190-L514 HydrophobicContact SD-CD2 4.45Å; L193-L514 HydrophobicContact CB-CD2 3.6Å; L193-L514 HydrophobicContact CD1-CD2 4.44Å; R194-L514 HydrophobicContact CG-CD2 3.63Å; R194-L514 HydrophobicContact CG-CG 4.4Å; I507-L514 HydrophobicContact CB-CD1 4.33Å; I507-L514 HydrophobicContact CG1-CD1 4.2Å; I507-L514 HydrophobicContact CG2-CD1 4.47Å; H510-L514 HydrophobicContact CB-CD1 3.58Å; H510-L514 HydrophobicContact CB-CG 3.7Å; G511-L514 PolarHBondContact O-N 2.97Å; D512-L514 PolarHBondContact O-N 3.49Å; L514-G516 PolarHBondContact O-N 2.78Å; L514-L518 HydrophobicContact CB-CD1 3.79Å; L514-L518 HydrophobicContact CD1-CD1 4.27Å; L514-L518 HydrophobicContact CD2-CD1 4.17Å; L514-L518 HydrophobicContact CG-CD1 4.3Å
515	P	97.2	Very high	97	Very high	23 Å²	23	56.4 Å²	56.4	15%	0.149	31%	0.312	C	S	.	.			trans	-52.3	137.6	174	-29.7	34.9	0	0	0	113.8	L193 P197 W517 L518	L193-P515 VanDerWaalsContact O-CD 3.29Å; L193-P515 WeakPolarHBondContact O-CD 3.48Å; L193-P515 WeakPolarHBondContact O-CG 3.23Å; P197-P515 HydrophobicContact CG-CG 3.79Å; P515-W517 VanDerWaalsContact CB-CD1 3.44Å; P515-W517 HydrophobicContact CB-CD2 4.48Å; P515-W517 HydrophobicContact CB-CG 4.2Å; P515-W517 PolarHBondContact O-N 3.4Å; P515-L518 HydrophobicContact CB-CD1 4.41Å; P515-L518 HydrophobicContact CG-CD1 4.42Å; P515-L518 WeakPolarHBondContact O-CB 3.46Å; P515-L518 PolarHBondContact O-N 2.99Å
516	G	96.8	Very high	96.9	Very high	55 Å²	55	55.4 Å²	55.4	57%	0.567	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.6	-24.4	-176.9	0	0	0	0	0	115.2	L514 L518 H519	L514-G516 PolarHBondContact O-N 2.78Å; G516-L518 PolarHBondContact O-N 3.17Å; G516-H519 PolarHBondContact O-N 3.35Å
517	W	97.1	Very high	96.8	Very high	22 Å²	22	59.4 Å²	59.4	8%	0.083	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-67	-20.4	178	61.5	-104	0	0	0	114.2	L193 A471 I472 E475 R477 V480 P515 H519 R520	L193-W517 HydrophobicContact CD2-CH2 3.92Å; L193-W517 HydrophobicContact CD2-CZ2 3.89Å; A471-W517 HydrophobicContact CB-CH2 4.29Å; I472-W517 HydrophobicContact CB-CZ2 4.48Å; I472-W517 HydrophobicContact CG1-CZ2 4.39Å; E475-W517 HydrophobicContact CB-CB 3.97Å; E475-W517 HydrophobicContact CB-CD2 3.91Å; E475-W517 HydrophobicContact CB-CE3 4.3Å; E475-W517 HydrophobicContact CB-CG 3.75Å; E475-W517 HydrophobicContact CG-CB 4.33Å; E475-W517 HydrophobicContact CG-CD2 4.34Å; E475-W517 HydrophobicContact CG-CG 3.92Å; R477-W517 HydrophobicContact CB-CZ3 4.4Å; V480-W517 HydrophobicContact CG2-CH2 4.12Å; V480-W517 HydrophobicContact CG2-CZ3 4.39Å; P515-W517 VanDerWaalsContact CB-CD1 3.44Å; P515-W517 HydrophobicContact CB-CD2 4.48Å; P515-W517 HydrophobicContact CB-CG 4.2Å; P515-W517 PolarHBondContact O-N 3.4Å; W517-H519 VanDerWaalsContact C-N 3.27Å; W517-R520 VanDerWaalsContact CB-CZ 3.48Å
518	L	97.6	Very high	96.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-74	-19.6	175.7	-72.1	159.4	0	0	0	112.8	L193 R477 V480 I507 L514 P515 G516	L193-L518 HydrophobicContact CB-CD1 4.34Å; L193-L518 HydrophobicContact CD1-CD1 3.99Å; L193-L518 HydrophobicContact CD1-CD2 4.33Å; L193-L518 HydrophobicContact CD2-CD1 4.29Å; L193-L518 HydrophobicContact CG-CD1 4.43Å; R477-L518 WeakPolarHBondContact CD-O 3.25Å; R477-L518 HydrophobicContact CG-CD2 4.27Å; R477-L518 PolarHBondContact NE-O 3.02Å; R477-L518 PolarHBondContact NH1-O 3.22Å; R477-L518 VanDerWaalsContact NH1-O 3.1Å; V480-L518 HydrophobicContact CG2-CD2 3.87Å; I507-L518 HydrophobicContact CD1-CD2 4.23Å; I507-L518 HydrophobicContact CG2-CB 4.28Å; L514-L518 HydrophobicContact CB-CD1 3.79Å; L514-L518 HydrophobicContact CD1-CD1 4.27Å; L514-L518 HydrophobicContact CD2-CD1 4.17Å; L514-L518 HydrophobicContact CG-CD1 4.3Å; P515-L518 HydrophobicContact CB-CD1 4.41Å; P515-L518 HydrophobicContact CG-CD1 4.42Å; P515-L518 WeakPolarHBondContact O-CB 3.46Å; P515-L518 PolarHBondContact O-N 2.99Å; G516-L518 PolarHBondContact O-N 3.17Å
519	H	95.2	Very high	96.5	Very high	82 Å²	82	62.8 Å²	62.8	38%	0.38	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-97.2	0.1	-178.6	-58.4	-67.7	0	0	0	113.2	I507 G511 G516 W517	I507-H519 PolarHBondContact O-CE1 3.28Å; G511-H519 PolarHBondContact O-CE1 3Å; G511-H519 PolarHBondContact O-NE2 3.23Å; G516-H519 PolarHBondContact O-N 3.35Å; W517-H519 VanDerWaalsContact C-N 3.27Å
520	R	87.8	Confident	96.3	Very high	195 Å²	195	63.8 Å²	63.8	74%	0.736	32%	0.323	S	S	*	.			trans	-79.4	0	169.7	-58.6	-172.3	-64.7	-147.1	3.4	109.6	E475 R477 W517	E475-R520 IonicContact OE2-CZ 2.75Å; E475-R520 IonicContact OE2-NH1 2.77Å; E475-R520 IonicContact OE2-NH2 2.67Å; E475-R520 PolarHBondContact OE2-NH2 2.88Å; R477-R520 PolarHBondContact NH1-OXT 2.96Å; W517-R520 VanDerWaalsContact CB-CZ 3.48Å

Retrieved 520 of 520 residues in 165.6 ms (Link to these results)

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