A0A087XIJ4_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XIJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 582 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	Q	32.8	Very low	31.2	Very low	247 Å²	247	153.5 Å²	153.5	100%	1.154	85%	0.848	S	S	*	*				0	118.1	0	-113	171	-9.7	0	0	107.4
2	R	33.5	Very low	31	Very low	243 Å²	243	154.9 Å²	154.9	92%	0.917	84%	0.839	S	S	*	*			trans	59.8	143.5	169.1	-71.6	-178	178.8	-175.3	-1.3	117.8
3	S	32.4	Very low	30.7	Very low	83 Å²	83	151.2 Å²	151.2	58%	0.58	83%	0.832	S	S	*	*			cis	175.9	139.9	-24.9	44.5	0	0	0	0	105
4	D	35.5	Very low	30.8	Very low	144 Å²	144	156.6 Å²	156.6	77%	0.77	83%	0.834	S	S	*	*			trans	86.9	142.2	139.3	-64.2	-21.6	0	0	0	124.5
5	T	32.7	Very low	31	Very low	140 Å²	140	154.5 Å²	154.5	86%	0.859	83%	0.829	S	S	*	*			trans	105.3	91.7	145.5	38.4	0	0	0	0	120.5
6	M	30.9	Very low	31	Very low	185 Å²	185	157 Å²	157	91%	0.911	83%	0.83	S	S	*	*			trans	-35.5	149.6	145.8	-71.7	173.1	168.5	0	0	115.6
7	A	30.3	Very low	30.9	Very low	113 Å²	113	153.4 Å²	153.4	93%	0.934	82%	0.82	S	S	*	*			trans	-147.8	124	132.6	0	0	0	0	0	110.6
8	S	31.3	Very low	31	Very low	113 Å²	113	151.6 Å²	151.6	79%	0.79	82%	0.816	S	S	*	*			trans	-125.6	134.1	174.3	158.7	0	0	0	0	107.6
9	C	27.6	Very low	30.9	Very low	135 Å²	135	151.3 Å²	151.3	91%	0.912	81%	0.813	S	S	*	*			trans	176	141.6	151.6	-104.3	0	0	0	0	107.5
10	G	27.1	Very low	30.9	Very low	65 Å²	65	148.2 Å²	148.2	67%	0.67	80%	0.803	S	S	*	*			cis	164	124.8	7.8	0	0	0	0	0	105.6
11	R	29.3	Very low	30.9	Very low	221 Å²	221	149.8 Å²	149.8	83%	0.834	81%	0.809	S	S	*	*				92.3	125.7	105.5	-97.6	-174.7	174.3	167	2.1	117.3
12	K	28.8	Very low	30.7	Very low	170 Å²	170	147.3 Å²	147.3	74%	0.739	80%	0.795	S	S	*	*			trans	77	116.6	139.7	-68.6	177.9	178.1	-175.7	0	117.6
13	S	27.4	Very low	30.5	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	78%	0.782	S	S	*	*				75.9	106.7	68.7	-175.3	0	0	0	0	114
14	R	31.5	Very low	30.5	Very low	228 Å²	228	141.4 Å²	141.4	86%	0.86	80%	0.795	S	S	*	*				171	129.5	109.9	-104.5	178.1	170.7	177.8	-3.5	113.2
15	T	33.5	Very low	30.6	Very low	124 Å²	124	140 Å²	140	76%	0.761	79%	0.791	S	S	*	*			trans	-25.2	145.3	147	20.1	0	0	0	0	117.2
16	K	31.9	Very low	30.8	Very low	195 Å²	195	142 Å²	142	85%	0.848	80%	0.796	S	S	*	*				-175.9	134.7	116.8	-104.5	175.3	-176.8	-174.2	0	114.2
17	S	29.1	Very low	31.1	Very low	95 Å²	95	140 Å²	140	66%	0.664	79%	0.789	S	S	*	*			trans	95.1	98.5	131.4	-65	0	0	0	0	121.7
18	V	32	Very low	31.3	Very low	122 Å²	122	137.2 Å²	137.2	74%	0.739	77%	0.77	S	S	*	*				84	114.5	99.2	159	0	0	0	0	120.1
19	L	30.3	Very low	31.6	Very low	146 Å²	146	142.4 Å²	142.4	76%	0.764	77%	0.774	S	S	*	*			trans	86.9	117.3	134.9	-97.4	79.9	0	0	0	123.8
20	C	29.6	Very low	31.8	Very low	89 Å²	89	144.1 Å²	144.1	60%	0.601	77%	0.773	S	S	*	*				73.9	112.7	125.7	-78.6	0	0	0	0	121.5
21	L	30.8	Very low	32.3	Very low	181 Å²	181	147.4 Å²	147.4	95%	0.948	77%	0.774	S	S	*	*				-152.1	131	109.7	-102.2	151	0	0	0	110.9
22	F	29.6	Very low	32.6	Very low	195 Å²	195	145.8 Å²	145.8	86%	0.855	77%	0.774	S	S	*	*			trans	-81.7	157.7	-178.7	-98.8	-104.2	0	0	0	112
23	G	28.5	Very low	32.8	Very low	62 Å²	62	147.7 Å²	147.7	64%	0.639	78%	0.782	S	S	*	*			trans	130.9	138.3	142	0	0	0	0	0	115.7
24	V	33.7	Very low	33	Very low	140 Å²	140	152.5 Å²	152.5	85%	0.848	79%	0.79	S	S	*	*	S	Bend	trans	82.3	109.3	175.3	-164.2	0	0	0	0	112.3
25	T	37.8	Very low	33	Very low	114 Å²	114	150.7 Å²	150.7	70%	0.699	79%	0.79	S	S	*	*			cis	-166.8	108.6	17.4	19.4	0	0	0	0	107.9	L27	T25-L27 PolarHBondContact O-N 3.22Å
26	L	35.5	Very low	32.9	Very low	184 Å²	184	150.4 Å²	150.4	96%	0.963	79%	0.791	S	S	*	*	S	Bend	trans	-87.8	55.5	165.2	-151.1	103.1	0	0	0	109
27	L	36.7	Very low	33.1	Very low	143 Å²	143	146.7 Å²	146.7	75%	0.749	79%	0.789	S	S	*	*			trans	-138	16.8	-179.4	-133.3	103.3	0	0	0	113.2	T25	T25-L27 PolarHBondContact O-N 3.22Å
28	G	36.2	Very low	33	Very low	53 Å²	53	145.7 Å²	145.7	55%	0.546	79%	0.794	S	S	.	*	S	Bend	trans	-107.4	-9.1	179.2	0	0	0	0	0	115
29	Y	36.1	Very low	33.4	Very low	223 Å²	223	149.9 Å²	149.9	88%	0.875	80%	0.802	S	S	*	*	S	Bend	trans	-99.6	0.7	-166.8	-138.8	-94.7	0	0	0	115.1
30	L	32.6	Very low	33.7	Very low	171 Å²	171	149.8 Å²	149.8	90%	0.895	81%	0.808	S	S	*	*	S	Bend	trans	-133.9	26.6	-179	-79.4	170.7	0	0	0	114
31	I	37.2	Very low	34.2	Very low	134 Å²	134	148.2 Å²	148.2	69%	0.687	81%	0.806	S	S	*	*	S	Bend	trans	-121.3	-6.3	172.9	-60.9	-177.6	0	0	0	112.8
32	F	35.4	Very low	34.5	Very low	187 Å²	187	144.1 Å²	144.1	82%	0.82	80%	0.798	S	S	*	*	S	Bend	trans	-96.1	7	-176.2	-93.2	-80.5	0	0	0	116.8
33	F	34	Very low	34.9	Very low	210 Å²	210	137.4 Å²	137.4	92%	0.921	78%	0.779	S	S	*	*	S	Bend	trans	-137.2	82.4	173.6	-88.6	-83.8	0	0	0	113.1
34	K	30.3	Very low	35.5	Very low	207 Å²	207	139.7 Å²	139.7	90%	0.9	78%	0.777	S	S	*	*			trans	-171.7	122.6	139.5	-110.7	174.9	178	-179.9	0	110.8
35	H	32.4	Very low	35.8	Very low	189 Å²	189	143.8 Å²	143.8	88%	0.875	78%	0.777	S	S	*	*			trans	-55.4	157.3	178.4	-95.9	-34	0	0	0	114.5
36	P	30.9	Very low	35.9	Very low	119 Å²	119	148 Å²	148	77%	0.773	78%	0.78	S	S	*	*				-138.3	137	99.9	31.8	-15.4	0	0	0	115.2
37	S	35.9	Very low	36.1	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	76%	0.757	S	S	*	*			trans	42.7	97.4	139.7	-179.6	0	0	0	0	119.4
38	G	27.8	Very low	36.6	Very low	74 Å²	74	141.9 Å²	141.9	76%	0.763	75%	0.749	S	S	*	*			trans	-149.2	103.9	153	0	0	0	0	0	109.5	V40	G38-V40 PolarHBondContact O-N 3.18Å
39	K	39.7	Very low	37.6	Very low	210 Å²	210	142.2 Å²	142.2	91%	0.913	74%	0.743	S	S	*	*			trans	-63.2	106.1	176.1	-76.5	174.8	171.8	177.2	0	110.5
40	V	37.3	Very low	38.6	Very low	145 Å²	145	135 Å²	135	88%	0.879	72%	0.722	S	S	*	*			trans	-153.8	116.1	148.1	-176.5	0	0	0	0	109.6	G38	G38-V40 PolarHBondContact O-N 3.18Å
41	G	39.3	Very low	39.9	Very low	55 Å²	55	133 Å²	133	57%	0.567	71%	0.708	S	S	*	*			trans	93.4	26.9	137.7	0	0	0	0	0	121.8	A43	G41-A43 VanDerWaalsContact C-N 3.33Å
42	A	37.2	Very low	41.3	Very low	95 Å²	95	128.4 Å²	128.4	79%	0.785	69%	0.694	S	S	*	*	S	Bend	trans	-81.7	-11.9	164.9	0	0	0	0	0	113.5
43	A	38.8	Very low	42.9	Very low	54 Å²	54	126.2 Å²	126.2	45%	0.446	69%	0.686	S	S	.	*	S	Bend	trans	-72.5	-41	177.7	0	0	0	0	0	112.4	G41 R45 R46 E47	G41-A43 VanDerWaalsContact C-N 3.33Å; A43-R45 VanDerWaalsContact C-N 3.33Å; A43-R45 PolarHBondContact O-N 3.32Å; A43-R45 VanDerWaalsContact O-N 3.17Å; A43-R46 PolarHBondContact O-N 3.17Å; A43-E47 WeakPolarHBondContact O-CB 3.43Å; A43-E47 PolarHBondContact O-N 2.98Å
44	N	39.6	Very low	44.9	Very low	111 Å²	111	122.5 Å²	122.5	59%	0.594	67%	0.671	S	S	*	*	H	α-helix	trans	-63.9	-26.3	-174.2	-86	15.1	0	0	0	115.5	V48	N44-V48 VanDerWaalsContact O-CB 3.25Å; N44-V48 WeakPolarHBondContact O-CB 3.39Å; N44-V48 WeakPolarHBondContact O-CG2 3.29Å; N44-V48 PolarHBondContact O-N 2.85Å
45	R	40.3	Very low	47.5	Very low	225 Å²	225	117 Å²	117	85%	0.849	65%	0.649	S	S	*	*	H	α-helix	trans	-84.1	-24	-176.9	-136.3	-179.7	-166	-177.9	4.1	113.5	A43 S49	A43-R45 VanDerWaalsContact C-N 3.33Å; A43-R45 PolarHBondContact O-N 3.32Å; A43-R45 VanDerWaalsContact O-N 3.17Å; R45-S49 PolarHBondContact O-OG 3.17Å
46	R	40.7	Very low	49.7	Very low	204 Å²	204	110 Å²	110	77%	0.77	62%	0.618	S	S	*	*	H	α-helix	trans	-89.8	-36.6	172.4	-93.4	-178.7	174	176.9	-2.4	111.7	A43 S49 V50	A43-R46 PolarHBondContact O-N 3.17Å; R46-S49 PolarHBondContact O-N 2.82Å; R46-S49 PolarHBondContact O-OG 2.86Å; R46-V50 VanDerWaalsContact O-CG2 3.29Å; R46-V50 WeakPolarHBondContact O-CG2 3Å; R46-V50 PolarHBondContact O-N 3.31Å; R46-V50 VanDerWaalsContact O-N 3.1Å
47	E	40.4	Very low	52.3	Low	102 Å²	102	109.5 Å²	109.5	48%	0.477	61%	0.605	S	S	.	*	H	α-helix	trans	-63.7	-43.4	173.9	-78.4	169.4	158.7	0	0	111.3	A43 S49 V50 E51	A43-E47 WeakPolarHBondContact O-CB 3.43Å; A43-E47 PolarHBondContact O-N 2.98Å; E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 3.21Å; E47-V50 PolarHBondContact O-N 3.49Å; E47-E51 WeakPolarHBondContact O-CB 3.25Å; E47-E51 WeakPolarHBondContact O-CG 3.4Å; E47-E51 PolarHBondContact O-N 3.1Å
48	V	45.8	Very low	54.9	Low	96 Å²	96	112.8 Å²	112.8	58%	0.582	60%	0.6	S	S	*	*	H	α-helix	trans	-64.2	-31.4	177.4	171.4	0	0	0	0	113	N44 G52	N44-V48 VanDerWaalsContact O-CB 3.25Å; N44-V48 WeakPolarHBondContact O-CB 3.39Å; N44-V48 WeakPolarHBondContact O-CG2 3.29Å; N44-V48 PolarHBondContact O-N 2.85Å; V48-G52 PolarHBondContact O-N 2.96Å
49	S	57.3	Low	58	Low	60 Å²	60	111.1 Å²	111.1	42%	0.42	57%	0.573	S	S	.	*	H	α-helix	trans	-75.7	-35.8	175.3	54.6	0	0	0	0	112.9	R45 R46 E47 E53	R45-S49 PolarHBondContact O-OG 3.17Å; R46-S49 PolarHBondContact O-N 2.82Å; R46-S49 PolarHBondContact O-OG 2.86Å; E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 3.21Å; S49-E53 WeakPolarHBondContact O-CG 3.29Å; S49-E53 PolarHBondContact O-N 2.66Å; S49-E53 VanDerWaalsContact O-N 3.16Å
50	V	58.4	Low	60.6	Low	72 Å²	72	104.2 Å²	104.2	44%	0.436	54%	0.543	S	S	.	.	H	α-helix	trans	-75.5	-43.2	179.5	175	0	0	0	0	110.8	R46 E47 G52 E53 E54	R46-V50 VanDerWaalsContact O-CG2 3.29Å; R46-V50 WeakPolarHBondContact O-CG2 3Å; R46-V50 PolarHBondContact O-N 3.31Å; R46-V50 VanDerWaalsContact O-N 3.1Å; E47-V50 PolarHBondContact O-N 3.49Å; V50-G52 VanDerWaalsContact C-N 3.3Å; V50-G52 PolarHBondContact O-N 3.26Å; V50-E53 PolarHBondContact O-N 3.4Å; V50-E54 PolarHBondContact O-N 3.21Å
51	E	59.8	Low	63.4	Low	129 Å²	129	104.1 Å²	104.1	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-38.1	174.1	-73.9	-178.1	167.5	0	0	111.9	E47 E55	E47-E51 WeakPolarHBondContact O-CB 3.25Å; E47-E51 WeakPolarHBondContact O-CG 3.4Å; E47-E51 PolarHBondContact O-N 3.1Å; E51-E55 VanDerWaalsContact O-CB 3.26Å; E51-E55 WeakPolarHBondContact O-CB 3.45Å; E51-E55 PolarHBondContact O-N 2.94Å
52	G	65.4	Low	66.2	Low	37 Å²	37	103.4 Å²	103.4	38%	0.381	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-37.3	176.2	0	0	0	0	0	113.6	V48 V50 N56	V48-G52 PolarHBondContact O-N 2.96Å; V50-G52 VanDerWaalsContact C-N 3.3Å; V50-G52 PolarHBondContact O-N 3.26Å; G52-N56 WeakPolarHBondContact O-CB 3.32Å; G52-N56 PolarHBondContact O-N 2.79Å; G52-N56 VanDerWaalsContact O-N 3.11Å
53	E	69.3	Low	69.1	Low	140 Å²	140	99.5 Å²	99.5	65%	0.654	48%	0.479	S	S	*	.	H	α-helix	trans	-71.5	-44.3	175.4	-77.3	-179.9	173	0	0	111.9	S49 V50 E55 N56 E57	S49-E53 WeakPolarHBondContact O-CG 3.29Å; S49-E53 PolarHBondContact O-N 2.66Å; S49-E53 VanDerWaalsContact O-N 3.16Å; V50-E53 PolarHBondContact O-N 3.4Å; E53-E55 PolarHBondContact O-N 3.16Å; E53-N56 PolarHBondContact O-N 2.97Å; E53-E57 PolarHBondContact O-N 3.11Å
54	E	76.2	Confident	71.9	Confident	133 Å²	133	100.1 Å²	100.1	62%	0.621	47%	0.47	S	S	*	.	H	α-helix	trans	-63.5	-40	176.2	-74.3	-174.9	177.2	0	0	112.4	V50 N56 E57 R58	V50-E54 PolarHBondContact O-N 3.21Å; E54-N56 VanDerWaalsContact C-N 3.34Å; E54-E57 PolarHBondContact O-N 3.2Å; E54-R58 PolarHBondContact O-N 2.93Å
55	E	83.9	Confident	74.7	Confident	91 Å²	91	101.7 Å²	101.7	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-62.7	-43.2	173.8	-173	177.4	-145.9	0	0	110.9	E51 E53 E57 R58 L59 K132	E51-E55 VanDerWaalsContact O-CB 3.26Å; E51-E55 WeakPolarHBondContact O-CB 3.45Å; E51-E55 PolarHBondContact O-N 2.94Å; E53-E55 PolarHBondContact O-N 3.16Å; E55-E57 PolarHBondContact O-N 3.38Å; E55-R58 WeakPolarHBondContact O-CB 3.09Å; E55-R58 PolarHBondContact O-N 2.75Å; E55-L59 HydrophobicContact CG-CD1 4.38Å; E55-L59 HydrophobicContact CG-CG 4.46Å; E55-L59 VanDerWaalsContact O-CG 3.32Å; E55-L59 WeakPolarHBondContact O-CG 3.26Å; E55-L59 PolarHBondContact O-N 3Å; E55-K132 VanDerWaalsContact OE1-CE 3.29Å; E55-K132 WeakPolarHBondContact OE1-CE 3.27Å; E55-K132 IonicContact OE1-NZ 2.66Å; E55-K132 PolarHBondContact OE1-NZ 3.3Å; E55-K132 IonicContact OE2-NZ 2.82Å; E55-K132 PolarHBondContact OE2-NZ 2.85Å
56	N	80.6	Confident	77.3	Confident	42 Å²	42	93.3 Å²	93.3	23%	0.225	44%	0.443	C	S	.	.	H	α-helix	trans	-64.4	-40.4	-180	-154.3	56	0	0	0	112.2	G52 E53 E54 R58 L59 K60 Y129 Y131	G52-N56 WeakPolarHBondContact O-CB 3.32Å; G52-N56 PolarHBondContact O-N 2.79Å; G52-N56 VanDerWaalsContact O-N 3.11Å; E53-N56 PolarHBondContact O-N 2.97Å; E54-N56 VanDerWaalsContact C-N 3.34Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact O-N 3Å; N56-L59 PolarHBondContact O-N 3.18Å; N56-K60 PolarHBondContact O-N 3.48Å; N56-Y129 PolarHBondContact OD1-O 3.32Å; N56-Y131 VanDerWaalsContact OD1-CD2 3.23Å; N56-Y131 WeakPolarHBondContact OD1-CD2 3.33Å
57	E	84.4	Confident	79.8	Confident	108 Å²	108	86.9 Å²	86.9	51%	0.505	43%	0.428	S	S	.	.	H	α-helix	trans	-64.8	-36.1	173.5	-71.7	-55.6	136.9	0	0	112.1	E53 E54 E55 K60	E53-E57 PolarHBondContact O-N 3.11Å; E54-E57 PolarHBondContact O-N 3.2Å; E55-E57 PolarHBondContact O-N 3.38Å; E57-K60 PolarHBondContact O-N 2.87Å
58	R	90.3	Very high	82.4	Confident	185 Å²	185	87.8 Å²	87.8	70%	0.698	44%	0.443	S	S	*	.	H	α-helix	trans	-65.6	-38.8	172.9	-174.1	179.9	176.6	177.5	-0.2	112.1	E54 E55 N56 K60 R61	E54-R58 PolarHBondContact O-N 2.93Å; E55-R58 WeakPolarHBondContact O-CB 3.09Å; E55-R58 PolarHBondContact O-N 2.75Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact O-N 3Å; R58-K60 VanDerWaalsContact C-N 3.34Å; R58-R61 WeakPolarHBondContact O-CB 3.35Å; R58-R61 WeakPolarHBondContact O-CG 3.43Å; R58-R61 PolarHBondContact O-N 3.18Å
59	L	93.8	Very high	84.6	Confident	39 Å²	39	86 Å²	86	20%	0.204	43%	0.433	C	S	.	.	H	α-helix	trans	-74	-24.1	179	-67.4	-176.7	0	0	0	113.6	E55 N56 R61 Y131 K132 I165	E55-L59 HydrophobicContact CG-CD1 4.38Å; E55-L59 HydrophobicContact CG-CG 4.46Å; E55-L59 VanDerWaalsContact O-CG 3.32Å; E55-L59 WeakPolarHBondContact O-CG 3.26Å; E55-L59 PolarHBondContact O-N 3Å; N56-L59 PolarHBondContact O-N 3.18Å; L59-R61 PolarHBondContact O-N 3.47Å; L59-Y131 HydrophobicContact CB-CD2 4.21Å; L59-Y131 HydrophobicContact CB-CG 4.09Å; L59-K132 HydrophobicContact CD1-CD 4.38Å; L59-K132 HydrophobicContact CD1-CG 3.71Å; L59-I165 HydrophobicContact CB-CG2 4.47Å; L59-I165 HydrophobicContact CD1-CD1 4.32Å; L59-I165 HydrophobicContact CD2-CD1 3.93Å; L59-I165 WeakPolarHBondContact O-CG2 3.4Å
60	K	93.9	Very high	86.3	Confident	66 Å²	66	87.3 Å²	87.3	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-68.4	-21.6	173.4	-174.8	176.8	-178.2	-143.7	0	112.8	N56 E57 R58 Y131 E234	N56-K60 PolarHBondContact O-N 3.48Å; E57-K60 PolarHBondContact O-N 2.87Å; R58-K60 VanDerWaalsContact C-N 3.34Å; K60-Y131 HydrophobicContact CB-CE1 4.45Å; K60-Y131 HydrophobicContact CB-CE2 4.18Å; K60-Y131 VanDerWaalsContact CG-OH 3.31Å; K60-Y131 WeakPolarHBondContact CG-OH 3.44Å; K60-E234 IonicContact NZ-OE1 2.84Å; K60-E234 PolarHBondContact NZ-OE1 2.92Å
61	R	96.4	Very high	88	Confident	143 Å²	143	89.7 Å²	89.7	54%	0.54	44%	0.44	S	S	.	.			trans	-56.8	135.8	-173.8	-68.1	-175.1	-173.2	-170.7	2	112.2	R58 L59 P163 D164	R58-R61 WeakPolarHBondContact O-CB 3.35Å; R58-R61 WeakPolarHBondContact O-CG 3.43Å; R58-R61 PolarHBondContact O-N 3.18Å; L59-R61 PolarHBondContact O-N 3.47Å; R61-P163 CarbonylContact O-C 3.59Å; R61-P163 WeakPolarHBondContact O-CA 3.22Å; R61-D164 PolarHBondContact O-N 2.59Å
62	P	97.9	Very high	89.7	Confident	39 Å²	39	90.7 Å²	90.7	25%	0.253	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-69.2	173	178.4	31	-36.8	0	0	0	112.2	Y64 E160 S162	P62-Y64 VanDerWaalsContact C-N 3.27Å; P62-Y64 WeakPolarHBondContact CG-O 3.42Å; P62-Y64 PolarHBondContact O-N 2.79Å; P62-E160 VanDerWaalsContact CB-C 3.46Å; P62-E160 VanDerWaalsContact CB-O 3.22Å; P62-E160 WeakPolarHBondContact CB-O 3.39Å; P62-E160 WeakPolarHBondContact CG-O 3.02Å; P62-S162 VanDerWaalsContact CA-O 3.26Å; P62-S162 WeakPolarHBondContact CA-O 3.43Å
63	V	97.8	Very high	91.2	Very high	13 Å²	13	90.3 Å²	90.3	8%	0.079	44%	0.443	C	S	.	.	S	Bend	trans	-62.7	-38.8	175.2	-171.9	0	0	0	0	111.1	L159 S162 D164 L167 R194 K195	V63-L159 HydrophobicContact CB-CD2 4.25Å; V63-L159 WeakPolarHBondContact CB-O 3.22Å; V63-L159 HydrophobicContact CG1-CD2 4.22Å; V63-L159 HydrophobicContact CG2-CD2 4.38Å; V63-L159 PolarHBondContact N-O 3.08Å; V63-L159 VanDerWaalsContact N-O 3.1Å; V63-S162 PolarHBondContact N-O 2.92Å; V63-D164 HydrophobicContact CG2-CB 4.28Å; V63-L167 HydrophobicContact CG2-CB 4.26Å; V63-L167 HydrophobicContact CG2-CD2 3.71Å; V63-R194 HydrophobicContact CG1-CB 4.46Å; V63-K195 HydrophobicContact CG1-CD 4.25Å; V63-K195 HydrophobicContact CG2-CD 4.18Å
64	Y	98	Very high	92.5	Very high	68 Å²	68	87.3 Å²	87.3	27%	0.267	43%	0.431	S	S	.	.	S	Bend	trans	-130.9	137	176.1	-70.5	-87.4	0	0	0	110.2	P62 L159 E160 R194	P62-Y64 VanDerWaalsContact C-N 3.27Å; P62-Y64 WeakPolarHBondContact CG-O 3.42Å; P62-Y64 PolarHBondContact O-N 2.79Å; Y64-L159 HydrophobicContact CD2-CB 3.96Å; Y64-L159 HydrophobicContact CD2-CD1 4.1Å; Y64-L159 HydrophobicContact CD2-CD2 4.38Å; Y64-L159 HydrophobicContact CD2-CG 4.38Å; Y64-L159 HydrophobicContact CE2-CD1 4.06Å; Y64-L159 HydrophobicContact CE2-CD2 4.38Å; Y64-L159 PolarHBondContact N-O 2.8Å; Y64-E160 WeakPolarHBondContact O-CA 3.45Å; Y64-R194 HydrophobicContact CE2-CB 4.16Å; Y64-R194 WeakPolarHBondContact OH-CB 3.28Å; Y64-R194 PolarHBondContact OH-N 2.95Å
65	E	96.9	Very high	93.5	Very high	143 Å²	143	81.1 Å²	81.1	67%	0.668	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-78.4	135.8	171.5	-67.7	-177.7	179.6	0	0	109.7
66	K	95.1	Very high	94.2	Very high	49 Å²	49	77.3 Å²	77.3	21%	0.213	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.5	144.9	172.6	-72.9	-175.8	171.9	-74.2	0	110.1	H113 R114 N115 E160	K66-H113 PolarHBondContact NZ-O 3.19Å; K66-R114 PolarHBondContact NZ-O 3.08Å; K66-N115 WeakPolarHBondContact CD-OD1 3.04Å; K66-E160 HydrophobicContact CD-CB 4.47Å; K66-E160 HydrophobicContact CG-CB 3.77Å; K66-E160 HydrophobicContact CG-CG 4.01Å; K66-E160 WeakPolarHBondContact CG-OE2 2.99Å; K66-E160 IonicContact NZ-OE2 3.63Å; K66-E160 PolarHBondContact NZ-OE2 3.44Å
67	P	94.7	Very high	95	Very high	69 Å²	69	78.2 Å²	78.2	45%	0.448	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-55.1	152.1	164.1	-21.4	32.9	0	0	0	110.9	H113	P67-H113 HydrophobicContact CG-CB 4.25Å
68	P	93.8	Very high	95.6	Very high	121 Å²	121	73.3 Å²	73.3	79%	0.786	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-52.3	135.6	173.8	-26	34.5	0	0	0	111.2	D70	P68-D70 PolarHBondContact O-N 3.18Å
69	P	92.2	Very high	95.9	Very high	60 Å²	60	70.4 Å²	70.4	39%	0.39	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-64.1	130	-177	24.5	-32.8	0	0	0	111	F71	P69-F71 HydrophobicContact CB-CE1 4.48Å; P69-F71 HydrophobicContact CB-CE2 4.35Å; P69-F71 HydrophobicContact CB-CZ 4.19Å; P69-F71 HydrophobicContact CG-CE2 4.02Å; P69-F71 HydrophobicContact CG-CZ 3.95Å
70	D	94.3	Very high	96.1	Very high	87 Å²	87	70.7 Å²	70.7	47%	0.465	36%	0.364	S	S	.	.			trans	-95.8	98	167.1	177.6	5.2	0	0	0	108.7	P68 N72 A73 E76	P68-D70 PolarHBondContact O-N 3.18Å; D70-N72 PolarHBondContact O-N 3.19Å; D70-N72 WeakPolarHBondContact OD1-CB 3.47Å; D70-N72 PolarHBondContact OD1-N 3.47Å; D70-A73 HydrophobicContact CB-CB 3.92Å; D70-A73 VanDerWaalsContact O-CB 3.25Å; D70-A73 WeakPolarHBondContact O-CB 3.23Å; D70-A73 PolarHBondContact O-N 3.45Å; D70-E76 WeakPolarHBondContact O-CB 3.45Å; D70-E76 WeakPolarHBondContact O-CG 3.44Å
71	F	93.1	Very high	96.3	Very high	121 Å²	121	67.9 Å²	67.9	53%	0.531	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.6	-179.5	-65.1	-74.5	0	0	0	114.3	P69 M77 R79	P69-F71 HydrophobicContact CB-CE1 4.48Å; P69-F71 HydrophobicContact CB-CE2 4.35Å; P69-F71 HydrophobicContact CB-CZ 4.19Å; P69-F71 HydrophobicContact CG-CE2 4.02Å; P69-F71 HydrophobicContact CG-CZ 3.95Å; F71-M77 HydrophobicContact CD1-CG 4.18Å; F71-M77 HydrophobicContact CE1-CG 4.01Å; F71-M77 HydrophobicContact CE1-SD 4.17Å; F71-R79 PolarHBondContact O-NH2 3.01Å
72	N	94.8	Very high	96.2	Very high	150 Å²	150	69.6 Å²	69.6	80%	0.802	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.9	171	-62.1	-45.1	0	0	0	112.9	D70	D70-N72 PolarHBondContact O-N 3.19Å; D70-N72 WeakPolarHBondContact OD1-CB 3.47Å; D70-N72 PolarHBondContact OD1-N 3.47Å
73	A	97	Very high	96	Very high	29 Å²	29	69.6 Å²	69.6	24%	0.24	36%	0.361	C	S	.	.	S	Bend	trans	-66.4	146.9	177.8	0	0	0	0	0	112	D70 G75 E76	D70-A73 HydrophobicContact CB-CB 3.92Å; D70-A73 VanDerWaalsContact O-CB 3.25Å; D70-A73 WeakPolarHBondContact O-CB 3.23Å; D70-A73 PolarHBondContact O-N 3.45Å; A73-G75 PolarHBondContact O-N 3.35Å; A73-E76 HydrophobicContact CB-CB 4.45Å; A73-E76 WeakPolarHBondContact O-CB 3.46Å; A73-E76 PolarHBondContact O-N 2.99Å
74	L	97.6	Very high	95.8	Very high	77 Å²	77	77 Å²	77	40%	0.403	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	127.4	-179.9	-65.3	174.7	0	0	0	110.7	E76 V81 L83 R109	L74-E76 PolarHBondContact O-N 3.44Å; L74-V81 HydrophobicContact CB-CG1 4.45Å; L74-V81 HydrophobicContact CB-CG2 4.13Å; L74-V81 HydrophobicContact CD2-CG1 4.22Å; L74-L83 HydrophobicContact CD1-CD2 3.95Å; L74-L83 HydrophobicContact CD2-CD2 4.46Å; L74-R109 HydrophobicContact CD1-CB 3.99Å
75	G	97.3	Very high	95.7	Very high	4 Å²	4	75.8 Å²	75.8	4%	0.041	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	4.3	174.8	0	0	0	0	0	115.1	A73 G78 R79 V81 R114	A73-G75 PolarHBondContact O-N 3.35Å; G75-G78 WeakPolarHBondContact O-CA 3.5Å; G75-G78 PolarHBondContact O-N 2.97Å; G75-R79 WeakPolarHBondContact CA-O 3.42Å; G75-V81 VanDerWaalsContact CA-CG2 3.49Å; G75-R114 VanDerWaalsContact O-CD 3.27Å; G75-R114 WeakPolarHBondContact O-CD 3.11Å; G75-R114 PolarHBondContact O-NH1 3.32Å
76	E	97.9	Very high	95.6	Very high	10 Å²	10	73 Å²	73	5%	0.047	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	141.8	175.6	-168.7	63.1	-91.1	0	0	110.6	D70 A73 L74 G78 R79 N115	D70-E76 WeakPolarHBondContact O-CB 3.45Å; D70-E76 WeakPolarHBondContact O-CG 3.44Å; A73-E76 HydrophobicContact CB-CB 4.45Å; A73-E76 WeakPolarHBondContact O-CB 3.46Å; A73-E76 PolarHBondContact O-N 2.99Å; L74-E76 PolarHBondContact O-N 3.44Å; E76-G78 PolarHBondContact O-N 3.47Å; E76-R79 PolarHBondContact O-N 3.24Å; E76-R79 PolarHBondContact O-NE 3.41Å; E76-N115 WeakPolarHBondContact OE1-CA 3.49Å; E76-N115 WeakPolarHBondContact OE1-CB 3.16Å; E76-N115 PolarHBondContact OE1-N 3.35Å; E76-N115 PolarHBondContact OE1-ND2 3.12Å
77	M	96.8	Very high	95.6	Very high	62 Å²	62	79.4 Å²	79.4	31%	0.305	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	61.4	19.8	-170.2	-55.4	-57.9	-72.2	0	0	114.2	F71 R79 N115 S117	F71-M77 HydrophobicContact CD1-CG 4.18Å; F71-M77 HydrophobicContact CE1-CG 4.01Å; F71-M77 HydrophobicContact CE1-SD 4.17Å; M77-R79 VanDerWaalsContact C-N 3.31Å; M77-R79 PolarHBondContact O-N 3.5Å; M77-N115 CarbonylContact C-O 3.46Å; M77-N115 WeakPolarHBondContact CA-O 3.37Å; M77-N115 PolarHBondContact N-O 2.04Å; M77-N115 HydrophobicContact SD-CB 3.84Å; M77-S117 WeakPolarHBondContact O-CB 3.49Å; M77-S117 PolarHBondContact O-N 2.93Å
78	G	97.1	Very high	95.7	Very high	4 Å²	4	82.9 Å²	82.9	4%	0.041	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	21.6	-178.8	0	0	0	0	0	114.3	G75 E76 N115 Q265 Y266	G75-G78 WeakPolarHBondContact O-CA 3.5Å; G75-G78 PolarHBondContact O-N 2.97Å; E76-G78 PolarHBondContact O-N 3.47Å; G78-N115 PolarHBondContact N-O 3.42Å; G78-Q265 WeakPolarHBondContact O-CA 3.24Å; G78-Y266 PolarHBondContact O-N 3.41Å
79	R	97.5	Very high	95.8	Very high	125 Å²	125	79.9 Å²	79.9	47%	0.472	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-69.5	148.3	178.1	-70.3	179.5	-67.2	171.6	5.2	111.7	F71 G75 E76 M77 V81	F71-R79 PolarHBondContact O-NH2 3.01Å; G75-R79 WeakPolarHBondContact CA-O 3.42Å; E76-R79 PolarHBondContact O-N 3.24Å; E76-R79 PolarHBondContact O-NE 3.41Å; M77-R79 VanDerWaalsContact C-N 3.31Å; M77-R79 PolarHBondContact O-N 3.5Å; R79-V81 PolarHBondContact O-N 3.08Å
80	A	97.9	Very high	95.9	Very high	44 Å²	44	82.1 Å²	82.1	36%	0.364	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.7	132.2	175.6	0	0	0	0	0	111.1	Q265	A80-Q265 HydrophobicContact CB-CB 3.83Å; A80-Q265 HydrophobicContact CB-CG 4.08Å
81	V	97.7	Very high	96	Very high	7 Å²	7	82.3 Å²	82.3	4%	0.042	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-100.9	126.8	173.7	178.7	0	0	0	0	109.5	L74 G75 R79 L83 V106 I110 T263	L74-V81 HydrophobicContact CB-CG1 4.45Å; L74-V81 HydrophobicContact CB-CG2 4.13Å; L74-V81 HydrophobicContact CD2-CG1 4.22Å; G75-V81 VanDerWaalsContact CA-CG2 3.49Å; R79-V81 PolarHBondContact O-N 3.08Å; V81-L83 HydrophobicContact CG1-CD2 3.71Å; V81-L83 HydrophobicContact CG1-CG 4.04Å; V81-V106 HydrophobicContact CB-CG1 3.85Å; V81-V106 HydrophobicContact CG1-CG1 3.93Å; V81-I110 HydrophobicContact CB-CD1 4.41Å; V81-I110 HydrophobicContact CG2-CD1 3.8Å; V81-I110 HydrophobicContact CG2-CG1 4.02Å; V81-T263 PolarHBondContact N-O 3.06Å
82	K	94.8	Very high	96.1	Very high	179 Å²	179	82.2 Å²	82.2	78%	0.778	41%	0.405	S	S	*	.			trans	-127.5	118.3	169.4	-66.9	-176.9	-179.9	-179.9	0	107.9
83	L	94.1	Very high	96.1	Very high	40 Å²	40	76.8 Å²	76.8	21%	0.209	38%	0.375	C	S	.	.			trans	-94.6	139.2	-177.4	-57.1	175.7	0	0	0	110.1	L74 V81 L85 Y105 V106	L74-L83 HydrophobicContact CD1-CD2 3.95Å; L74-L83 HydrophobicContact CD2-CD2 4.46Å; V81-L83 HydrophobicContact CG1-CD2 3.71Å; V81-L83 HydrophobicContact CG1-CG 4.04Å; L83-L85 HydrophobicContact CB-CD1 4.43Å; L83-L85 HydrophobicContact CB-CD2 3.44Å; L83-L85 VanDerWaalsContact CB-CD2 3.44Å; L83-L85 HydrophobicContact CB-CG 3.81Å; L83-L85 HydrophobicContact CD1-CD2 4.07Å; L83-L85 HydrophobicContact CG-CD2 4.39Å; L83-L85 PolarHBondContact O-N 3.44Å; L83-Y105 HydrophobicContact CD1-CD1 3.96Å; L83-Y105 HydrophobicContact CD1-CE1 3.97Å; L83-V106 HydrophobicContact CD1-CG2 3.88Å; L83-V106 HydrophobicContact CG-CG2 4.29Å
84	N	93.7	Very high	96	Very high	168 Å²	168	79.8 Å²	79.8	90%	0.898	38%	0.383	S	S	*	.			trans	-87.4	93.3	169.9	-71.1	-27.2	0	0	0	108.4
85	L	95.1	Very high	95.9	Very high	42 Å²	42	81.6 Å²	81.6	22%	0.22	39%	0.39	C	S	.	.			trans	-97.1	142	-172.5	-57.4	-174.1	0	0	0	112.4	L83 E89 K90 E93 Y105	L83-L85 HydrophobicContact CB-CD1 4.43Å; L83-L85 HydrophobicContact CB-CD2 3.44Å; L83-L85 VanDerWaalsContact CB-CD2 3.44Å; L83-L85 HydrophobicContact CB-CG 3.81Å; L83-L85 HydrophobicContact CD1-CD2 4.07Å; L83-L85 HydrophobicContact CG-CD2 4.39Å; L83-L85 PolarHBondContact O-N 3.44Å; L85-E89 HydrophobicContact CB-CB 3.91Å; L85-E89 HydrophobicContact CD1-CB 4.47Å; L85-E89 HydrophobicContact CD2-CB 4.07Å; L85-E89 HydrophobicContact CG-CB 4.36Å; L85-K90 HydrophobicContact CB-CB 4.4Å; L85-E93 HydrophobicContact CD1-CB 3.86Å; L85-E93 HydrophobicContact CD1-CG 4.27Å; L85-E93 WeakPolarHBondContact CD1-OE2 3.39Å; L85-Y105 HydrophobicContact CD1-CD1 4.23Å; L85-Y105 HydrophobicContact CD1-CE1 3.87Å; L85-Y105 HydrophobicContact CD2-CE1 3.72Å; L85-Y105 HydrophobicContact CG-CE1 4.48Å
86	N	95.9	Very high	95.7	Very high	84 Å²	84	82 Å²	82	45%	0.449	39%	0.392	S	S	.	.			trans	-75.4	177	165	72.8	44.4	0	0	0	111.1	E88 E89 K90	N86-E88 PolarHBondContact O-N 2.96Å; N86-E88 PolarHBondContact OD1-N 2.94Å; N86-E89 VanDerWaalsContact CG-OE2 3.31Å; N86-E89 PolarHBondContact N-OE2 2.67Å; N86-E89 PolarHBondContact ND2-OE2 3.07Å; N86-E89 PolarHBondContact O-N 3.44Å; N86-E89 WeakPolarHBondContact OD1-CG 3.39Å; N86-E89 PolarHBondContact OD1-N 3.29Å; N86-K90 WeakPolarHBondContact O-CB 3.39Å; N86-K90 PolarHBondContact O-N 3.25Å
87	K	95.1	Very high	95.5	Very high	184 Å²	184	82.6 Å²	82.6	80%	0.8	40%	0.395	S	S	*	.	H	α-helix	trans	-60.2	-41.6	-176.7	-69.5	-174.9	-179.7	179.7	0	113.4	I91	K87-I91 WeakPolarHBondContact O-CG1 3.35Å; K87-I91 PolarHBondContact O-N 2.88Å
88	E	95.5	Very high	95.2	Very high	142 Å²	142	86.4 Å²	86.4	66%	0.664	41%	0.413	S	S	*	.	H	α-helix	trans	-70.9	-40.2	-178.3	-63.8	177.9	-174.7	0	0	111.7	N86 K90 I91 K92	N86-E88 PolarHBondContact O-N 2.96Å; N86-E88 PolarHBondContact OD1-N 2.94Å; E88-K90 VanDerWaalsContact C-N 3.34Å; E88-I91 PolarHBondContact O-N 3.25Å; E88-K92 PolarHBondContact O-N 3.47Å
89	E	95.7	Very high	94.8	Very high	58 Å²	58	91.7 Å²	91.7	27%	0.271	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-37.9	176	-68.8	179.3	126.2	0	0	112.1	L85 N86 I91 K92 E93 Y105	L85-E89 HydrophobicContact CB-CB 3.91Å; L85-E89 HydrophobicContact CD1-CB 4.47Å; L85-E89 HydrophobicContact CD2-CB 4.07Å; L85-E89 HydrophobicContact CG-CB 4.36Å; N86-E89 VanDerWaalsContact CG-OE2 3.31Å; N86-E89 PolarHBondContact N-OE2 2.67Å; N86-E89 PolarHBondContact ND2-OE2 3.07Å; N86-E89 PolarHBondContact O-N 3.44Å; N86-E89 WeakPolarHBondContact OD1-CG 3.39Å; N86-E89 PolarHBondContact OD1-N 3.29Å; E89-I91 VanDerWaalsContact C-N 3.33Å; E89-I91 PolarHBondContact O-N 2.93Å; E89-K92 WeakPolarHBondContact O-CB 3.5Å; E89-K92 PolarHBondContact O-N 3.05Å; E89-E93 PolarHBondContact O-N 2.88Å; E89-Y105 WeakPolarHBondContact CB-OH 3.41Å; E89-Y105 VanDerWaalsContact CG-OH 3.32Å; E89-Y105 WeakPolarHBondContact CG-OH 3.31Å; E89-Y105 PolarHBondContact OE1-OH 3.06Å
90	K	95.2	Very high	94.4	Very high	108 Å²	108	86.8 Å²	86.8	47%	0.47	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-37.7	176.1	-173.6	171	-179.9	178.1	0	112.3	L85 N86 E88 K92 E93 E94	L85-K90 HydrophobicContact CB-CB 4.4Å; N86-K90 WeakPolarHBondContact O-CB 3.39Å; N86-K90 PolarHBondContact O-N 3.25Å; E88-K90 VanDerWaalsContact C-N 3.34Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-E93 PolarHBondContact O-N 3.14Å; K90-E94 VanDerWaalsContact CE-OE1 3.25Å; K90-E94 WeakPolarHBondContact CE-OE1 3.31Å; K90-E94 WeakPolarHBondContact O-CG 3.32Å; K90-E94 PolarHBondContact O-N 3.25Å
91	I	95.8	Very high	94.3	Very high	90 Å²	90	86.6 Å²	86.6	46%	0.462	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-45.8	173.4	-67.9	165.2	0	0	0	110.1	K87 E88 E89 E93 E94 E95	K87-I91 WeakPolarHBondContact O-CG1 3.35Å; K87-I91 PolarHBondContact O-N 2.88Å; E88-I91 PolarHBondContact O-N 3.25Å; E89-I91 VanDerWaalsContact C-N 3.33Å; E89-I91 PolarHBondContact O-N 2.93Å; I91-E93 VanDerWaalsContact C-N 3.33Å; I91-E93 PolarHBondContact O-N 2.62Å; I91-E94 PolarHBondContact O-N 2.95Å; I91-E95 HydrophobicContact CG2-CG 4.4Å; I91-E95 WeakPolarHBondContact O-CB 3.25Å; I91-E95 WeakPolarHBondContact O-CG 3.48Å; I91-E95 PolarHBondContact O-N 3.22Å
92	K	95.6	Very high	94.2	Very high	120 Å²	120	86.5 Å²	86.5	52%	0.522	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-38.8	177	-67.5	175.4	-178.5	173	0	112.6	E88 E89 K90 S96 Y105	E88-K92 PolarHBondContact O-N 3.47Å; E89-K92 WeakPolarHBondContact O-CB 3.5Å; E89-K92 PolarHBondContact O-N 3.05Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K92-S96 WeakPolarHBondContact O-CB 3.42Å; K92-S96 PolarHBondContact O-N 3Å; K92-Y105 HydrophobicContact CB-CD2 3.95Å; K92-Y105 HydrophobicContact CB-CE2 3.74Å; K92-Y105 HydrophobicContact CD-CE2 4.37Å
93	E	95.9	Very high	94.3	Very high	36 Å²	36	78 Å²	78	17%	0.168	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-49.8	174	-178.3	-179	-131.1	0	0	111.2	L85 E89 K90 I91 E95 S96 I97 N103 Y105	L85-E93 HydrophobicContact CD1-CB 3.86Å; L85-E93 HydrophobicContact CD1-CG 4.27Å; L85-E93 WeakPolarHBondContact CD1-OE2 3.39Å; E89-E93 PolarHBondContact O-N 2.88Å; K90-E93 PolarHBondContact O-N 3.14Å; I91-E93 VanDerWaalsContact C-N 3.33Å; I91-E93 PolarHBondContact O-N 2.62Å; E93-E95 PolarHBondContact O-N 2.75Å; E93-S96 WeakPolarHBondContact O-CB 3.27Å; E93-S96 PolarHBondContact O-N 3.42Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 2.82Å; E93-I97 HydrophobicContact CG-CD1 4.17Å; E93-I97 WeakPolarHBondContact O-CG1 3.48Å; E93-I97 PolarHBondContact O-N 3.3Å; E93-I97 VanDerWaalsContact O-N 3.1Å; E93-N103 PolarHBondContact OE1-ND2 2.71Å; E93-Y105 HydrophobicContact CB-CD1 4.06Å; E93-Y105 HydrophobicContact CB-CG 4.06Å; E93-Y105 HydrophobicContact CG-CD1 4.43Å
94	E	94.9	Very high	94.4	Very high	91 Å²	91	76.7 Å²	76.7	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-43	179.5	-72.4	174.6	-172.1	0	0	112.2	K90 I91 S96 I97 Q98	K90-E94 VanDerWaalsContact CE-OE1 3.25Å; K90-E94 WeakPolarHBondContact CE-OE1 3.31Å; K90-E94 WeakPolarHBondContact O-CG 3.32Å; K90-E94 PolarHBondContact O-N 3.25Å; I91-E94 PolarHBondContact O-N 2.95Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.89Å; E94-I97 PolarHBondContact O-N 2.8Å; E94-Q98 WeakPolarHBondContact O-CG 3.41Å; E94-Q98 PolarHBondContact O-N 3.47Å
95	E	94.4	Very high	94.6	Very high	116 Å²	116	69.7 Å²	69.7	54%	0.542	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-40.8	173.7	-74.7	175.6	175.5	0	0	111.8	I91 E93 I97 Q98 K99	I91-E95 HydrophobicContact CG2-CG 4.4Å; I91-E95 WeakPolarHBondContact O-CB 3.25Å; I91-E95 WeakPolarHBondContact O-CG 3.48Å; I91-E95 PolarHBondContact O-N 3.22Å; E93-E95 PolarHBondContact O-N 2.75Å; E95-I97 PolarHBondContact O-N 3.38Å; E95-Q98 PolarHBondContact O-N 3.47Å; E95-K99 WeakPolarHBondContact O-CB 3.36Å; E95-K99 PolarHBondContact O-N 3.36Å
96	S	93.1	Very high	94.7	Very high	12 Å²	12	67.8 Å²	67.8	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.9	86.4	0	0	0	0	111.8	K92 E93 E94 K99 H100 T104 Y105	K92-S96 WeakPolarHBondContact O-CB 3.42Å; K92-S96 PolarHBondContact O-N 3Å; E93-S96 WeakPolarHBondContact O-CB 3.27Å; E93-S96 PolarHBondContact O-N 3.42Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 2.82Å; E94-S96 VanDerWaalsContact C-N 3.3Å; E94-S96 PolarHBondContact O-N 2.89Å; S96-K99 PolarHBondContact O-N 3.05Å; S96-H100 PolarHBondContact O-N 2.88Å; S96-T104 WeakPolarHBondContact CB-OG1 3.39Å; S96-Y105 PolarHBondContact OG-N 2.75Å
97	I	93.9	Very high	94.8	Very high	23 Å²	23	63.8 Å²	63.8	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-41.6	178.1	-64.8	164.1	0	0	0	110.5	E93 E94 E95 K99 Q101 N103 W261 K366	E93-I97 HydrophobicContact CG-CD1 4.17Å; E93-I97 WeakPolarHBondContact O-CG1 3.48Å; E93-I97 PolarHBondContact O-N 3.3Å; E93-I97 VanDerWaalsContact O-N 3.1Å; E94-I97 PolarHBondContact O-N 2.8Å; E95-I97 PolarHBondContact O-N 3.38Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 2.67Å; I97-Q101 WeakPolarHBondContact O-CA 3.23Å; I97-Q101 PolarHBondContact O-N 3.12Å; I97-Q101 PolarHBondContact O-NE2 3.42Å; I97-N103 HydrophobicContact CD1-CB 4.18Å; I97-N103 HydrophobicContact CG1-CB 3.88Å; I97-W261 HydrophobicContact CD1-CZ3 4.07Å; I97-W261 HydrophobicContact CG1-CZ3 4.11Å; I97-W261 HydrophobicContact CG2-CE3 4.46Å; I97-W261 HydrophobicContact CG2-CH2 4.35Å; I97-W261 HydrophobicContact CG2-CZ3 3.69Å; I97-K366 HydrophobicContact CG2-CD 4.4Å
98	Q	91.1	Very high	94.9	Very high	142 Å²	142	59.6 Å²	59.6	66%	0.664	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-39	177.5	-72.1	179.1	18.3	0	0	111.8	E94 E95 Q101	E94-Q98 WeakPolarHBondContact O-CG 3.41Å; E94-Q98 PolarHBondContact O-N 3.47Å; E95-Q98 PolarHBondContact O-N 3.47Å; Q98-Q101 PolarHBondContact O-NE2 3.09Å
99	K	88.9	Confident	95.1	Very high	114 Å²	114	57.9 Å²	57.9	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-73.2	-42.2	-178.3	-173.6	178.5	176.1	-175.5	0	113.3	E95 S96 I97	E95-K99 WeakPolarHBondContact O-CB 3.36Å; E95-K99 PolarHBondContact O-N 3.36Å; S96-K99 PolarHBondContact O-N 3.05Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 2.67Å
100	H	88.9	Confident	95.2	Very high	23 Å²	23	55.4 Å²	55.4	11%	0.106	26%	0.256	C	S	.	.	H	α-helix	trans	-111.9	-9.4	-170.6	-69.7	-79.9	0	0	0	114.4	S96 I102 T104	S96-H100 PolarHBondContact O-N 2.88Å; H100-I102 HydrophobicContact CB-CB 4.48Å; H100-I102 PolarHBondContact O-N 2.95Å; H100-I102 VanDerWaalsContact O-N 3.12Å; H100-T104 HydrophobicContact CB-CG2 3.63Å
101	Q	94.6	Very high	95.3	Very high	39 Å²	39	52.5 Å²	52.5	18%	0.182	25%	0.25	C	C	.	.	S	Bend	trans	58.1	15.9	-169.5	-52.9	-58.9	-56.4	0	0	113.5	I97 Q98 P365 K366 K367 P369	I97-Q101 WeakPolarHBondContact O-CA 3.23Å; I97-Q101 PolarHBondContact O-N 3.12Å; I97-Q101 PolarHBondContact O-NE2 3.42Å; Q98-Q101 PolarHBondContact O-NE2 3.09Å; Q101-P365 HydrophobicContact CB-CB 4.04Å; Q101-K366 HydrophobicContact CB-CB 4.42Å; Q101-K366 WeakPolarHBondContact O-CB 3.21Å; Q101-K366 PolarHBondContact O-N 3.23Å; Q101-K367 WeakPolarHBondContact CB-O 3.44Å; Q101-K367 HydrophobicContact CG-CB 4.38Å; Q101-P369 HydrophobicContact CG-CB 4.28Å
102	I	95.7	Very high	95.5	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-137.3	143.8	179.2	-62.6	171.7	0	0	0	106	H100 T104 W261 F264 V363 P365	H100-I102 HydrophobicContact CB-CB 4.48Å; H100-I102 PolarHBondContact O-N 2.95Å; H100-I102 VanDerWaalsContact O-N 3.12Å; I102-T104 VanDerWaalsContact C-N 3.25Å; I102-T104 HydrophobicContact CB-CG2 4.47Å; I102-T104 HydrophobicContact CG2-CG2 4.5Å; I102-T104 PolarHBondContact O-N 2.9Å; I102-W261 HydrophobicContact CG1-CB 4.37Å; I102-F264 HydrophobicContact CG2-CE2 3.69Å; I102-F264 HydrophobicContact CG2-CZ 3.49Å; I102-F264 VanDerWaalsContact CG2-CZ 3.49Å; I102-V363 HydrophobicContact CD1-CB 4.34Å; I102-V363 HydrophobicContact CD1-CG1 3.77Å; I102-V363 HydrophobicContact CG1-CG1 3.92Å; I102-V363 HydrophobicContact CG2-CG1 3.92Å; I102-P365 HydrophobicContact CD1-CB 4.43Å; I102-P365 HydrophobicContact CG1-CB 4.05Å
103	N	97.2	Very high	95.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.222	C	C	.	.			trans	-75.8	78.2	176.5	-170	-20.9	0	0	0	110.3	E93 I97 Y105 V106 S107 W261 N262 F264	E93-N103 PolarHBondContact OE1-ND2 2.71Å; I97-N103 HydrophobicContact CD1-CB 4.18Å; I97-N103 HydrophobicContact CG1-CB 3.88Å; N103-Y105 PolarHBondContact O-N 3.39Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.26Å; N103-Y105 PolarHBondContact OD1-N 3.04Å; N103-V106 HydrophobicContact CB-CB 4.34Å; N103-V106 HydrophobicContact CB-CG2 4.49Å; N103-V106 VanDerWaalsContact CG-CG2 3.5Å; N103-V106 VanDerWaalsContact ND2-CG2 3.34Å; N103-V106 WeakPolarHBondContact ND2-CG2 3.47Å; N103-V106 PolarHBondContact O-N 2.74Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.49Å; N103-V106 PolarHBondContact OD1-N 3.41Å; N103-S107 PolarHBondContact O-N 2.68Å; N103-W261 WeakPolarHBondContact CB-O 3.39Å; N103-W261 PolarHBondContact N-O 3.23Å; N103-N262 WeakPolarHBondContact CB-O 3.37Å; N103-N262 PolarHBondContact ND2-O 3.4Å; N103-N262 PolarHBondContact ND2-OD1 3.45Å; N103-N262 VanDerWaalsContact ND2-OD1 3.1Å; N103-F264 VanDerWaalsContact O-CE2 3.29Å; N103-F264 WeakPolarHBondContact O-CE2 3.2Å
104	T	96.5	Very high	95.7	Very high	12 Å²	12	45 Å²	45	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-23.7	-178.9	69.4	0	0	0	0	111.3	S96 H100 I102 V106 S107 D108 A147	S96-T104 WeakPolarHBondContact CB-OG1 3.39Å; H100-T104 HydrophobicContact CB-CG2 3.63Å; I102-T104 VanDerWaalsContact C-N 3.25Å; I102-T104 HydrophobicContact CB-CG2 4.47Å; I102-T104 HydrophobicContact CG2-CG2 4.5Å; I102-T104 PolarHBondContact O-N 2.9Å; T104-V106 VanDerWaalsContact C-N 3.31Å; T104-V106 PolarHBondContact O-N 3.42Å; T104-S107 WeakPolarHBondContact O-CB 3.35Å; T104-S107 PolarHBondContact O-N 3.45Å; T104-D108 WeakPolarHBondContact O-CB 3.43Å; T104-D108 PolarHBondContact O-N 3.39Å; T104-A147 HydrophobicContact CG2-CB 3.54Å
105	Y	97.2	Very high	95.8	Very high	21 Å²	21	42.5 Å²	42.5	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-40.3	172.6	-169.8	-91.3	0	0	0	112.7	L83 L85 E89 K92 E93 S96 N103 R109	L83-Y105 HydrophobicContact CD1-CD1 3.96Å; L83-Y105 HydrophobicContact CD1-CE1 3.97Å; L85-Y105 HydrophobicContact CD1-CD1 4.23Å; L85-Y105 HydrophobicContact CD1-CE1 3.87Å; L85-Y105 HydrophobicContact CD2-CE1 3.72Å; L85-Y105 HydrophobicContact CG-CE1 4.48Å; E89-Y105 WeakPolarHBondContact CB-OH 3.41Å; E89-Y105 VanDerWaalsContact CG-OH 3.32Å; E89-Y105 WeakPolarHBondContact CG-OH 3.31Å; E89-Y105 PolarHBondContact OE1-OH 3.06Å; K92-Y105 HydrophobicContact CB-CD2 3.95Å; K92-Y105 HydrophobicContact CB-CE2 3.74Å; K92-Y105 HydrophobicContact CD-CE2 4.37Å; E93-Y105 HydrophobicContact CB-CD1 4.06Å; E93-Y105 HydrophobicContact CB-CG 4.06Å; E93-Y105 HydrophobicContact CG-CD1 4.43Å; S96-Y105 PolarHBondContact OG-N 2.75Å; N103-Y105 PolarHBondContact O-N 3.39Å; N103-Y105 WeakPolarHBondContact OD1-CB 3.26Å; N103-Y105 PolarHBondContact OD1-N 3.04Å; Y105-R109 VanDerWaalsContact CD1-NH1 3.32Å; Y105-R109 VanDerWaalsContact CZ-NH1 3.27Å; Y105-R109 PolarHBondContact O-NH1 3.41Å; Y105-R109 PolarHBondContact OH-NH2 2.84Å
106	V	97.8	Very high	95.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-70.1	-47.7	169.9	167.8	0	0	0	0	110.7	V81 L83 N103 T104 D108 R109 I110 F264	V81-V106 HydrophobicContact CB-CG1 3.85Å; V81-V106 HydrophobicContact CG1-CG1 3.93Å; L83-V106 HydrophobicContact CD1-CG2 3.88Å; L83-V106 HydrophobicContact CG-CG2 4.29Å; N103-V106 HydrophobicContact CB-CB 4.34Å; N103-V106 HydrophobicContact CB-CG2 4.49Å; N103-V106 VanDerWaalsContact CG-CG2 3.5Å; N103-V106 VanDerWaalsContact ND2-CG2 3.34Å; N103-V106 WeakPolarHBondContact ND2-CG2 3.47Å; N103-V106 PolarHBondContact O-N 2.74Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.49Å; N103-V106 PolarHBondContact OD1-N 3.41Å; T104-V106 VanDerWaalsContact C-N 3.31Å; T104-V106 PolarHBondContact O-N 3.42Å; V106-D108 VanDerWaalsContact C-N 3.27Å; V106-D108 PolarHBondContact O-N 3.31Å; V106-R109 PolarHBondContact O-N 3.13Å; V106-I110 HydrophobicContact CG1-CD1 3.77Å; V106-I110 HydrophobicContact CG1-CG1 4.45Å; V106-I110 PolarHBondContact O-N 3.46Å; V106-F264 HydrophobicContact CB-CD2 4.46Å; V106-F264 HydrophobicContact CG1-CB 4.48Å; V106-F264 HydrophobicContact CG1-CD2 3.99Å
107	S	98.2	Very high	95.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-53.4	-42.7	179.6	-172.8	0	0	0	0	113	N103 T104 R109 I110 S149 R153	N103-S107 PolarHBondContact O-N 2.68Å; T104-S107 WeakPolarHBondContact O-CB 3.35Å; T104-S107 PolarHBondContact O-N 3.45Å; S107-R109 PolarHBondContact O-N 3.33Å; S107-R109 VanDerWaalsContact O-N 3.15Å; S107-I110 PolarHBondContact O-N 3.13Å; S107-I110 VanDerWaalsContact O-N 3.1Å; S107-S149 VanDerWaalsContact CB-OG 3.3Å; S107-S149 WeakPolarHBondContact CB-OG 3.45Å; S107-S149 WeakPolarHBondContact OG-CB 3.25Å; S107-S149 PolarHBondContact OG-OG 2.76Å; S107-R153 PolarHBondContact O-NH2 2.78Å; S107-R153 PolarHBondContact OG-NH1 3.3Å; S107-R153 PolarHBondContact OG-NH2 2.87Å
108	D	97.9	Very high	95.9	Very high	97 Å²	97	41.6 Å²	41.6	52%	0.519	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.8	-176.3	-66	-18.5	0	0	0	113	T104 V106 S149	T104-D108 WeakPolarHBondContact O-CB 3.43Å; T104-D108 PolarHBondContact O-N 3.39Å; V106-D108 VanDerWaalsContact C-N 3.27Å; V106-D108 PolarHBondContact O-N 3.31Å; D108-S149 WeakPolarHBondContact OD1-CB 3.41Å; D108-S149 PolarHBondContact OD1-OG 2.87Å
109	R	97.7	Very high	95.9	Very high	106 Å²	106	39.6 Å²	39.6	40%	0.4	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-8	176.9	-69.6	170.6	173.6	72.9	3.6	113.7	L74 Y105 V106 S107	L74-R109 HydrophobicContact CD1-CB 3.99Å; Y105-R109 VanDerWaalsContact CD1-NH1 3.32Å; Y105-R109 VanDerWaalsContact CZ-NH1 3.27Å; Y105-R109 PolarHBondContact O-NH1 3.41Å; Y105-R109 PolarHBondContact OH-NH2 2.84Å; V106-R109 PolarHBondContact O-N 3.13Å; S107-R109 PolarHBondContact O-N 3.33Å; S107-R109 VanDerWaalsContact O-N 3.15Å
110	I	98.4	Very high	96	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	17%	0.169	C	C	.	.	S	Bend	trans	-91.8	135.6	175.2	-65.8	172.2	0	0	0	108.3	V81 V106 S107 L112 R114 R153 F264	V81-I110 HydrophobicContact CB-CD1 4.41Å; V81-I110 HydrophobicContact CG2-CD1 3.8Å; V81-I110 HydrophobicContact CG2-CG1 4.02Å; V106-I110 HydrophobicContact CG1-CD1 3.77Å; V106-I110 HydrophobicContact CG1-CG1 4.45Å; V106-I110 PolarHBondContact O-N 3.46Å; S107-I110 PolarHBondContact O-N 3.13Å; S107-I110 VanDerWaalsContact O-N 3.1Å; I110-L112 PolarHBondContact O-N 2.91Å; I110-R114 HydrophobicContact CG2-CG 4.24Å; I110-R153 PolarHBondContact O-NH2 2.97Å; I110-F264 HydrophobicContact CD1-CB 3.35Å; I110-F264 HydrophobicContact CD1-CD1 4.33Å; I110-F264 HydrophobicContact CD1-CG 3.84Å
111	S	98.3	Very high	96.3	Very high	47 Å²	47	36 Å²	36	33%	0.329	17%	0.173	S	C	.	.			trans	-50.6	140.1	177.8	-179.3	0	0	0	0	112	H113 R153	S111-H113 PolarHBondContact O-N 3.09Å; S111-H113 PolarHBondContact OG-N 3.38Å; S111-R153 PolarHBondContact O-NE 3.43Å
112	L	98.4	Very high	96.3	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.168	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.9	169.8	-56.9	-178.9	0	0	0	112	I110 S149 L152 R153	I110-L112 PolarHBondContact O-N 2.91Å; L112-S149 WeakPolarHBondContact CD2-O 3.46Å; L112-L152 HydrophobicContact CD1-CB 3.98Å; L112-L152 HydrophobicContact CD1-CD1 4.11Å; L112-L152 HydrophobicContact CD2-CB 4.28Å; L112-R153 HydrophobicContact CD2-CB 4.24Å
113	H	98.4	Very high	96.3	Very high	52 Å²	52	41 Å²	41	24%	0.241	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	11.1	-173	-48.5	-75.2	0	0	0	112.7	K66 P67 S111 H156 E160	K66-H113 PolarHBondContact NZ-O 3.19Å; P67-H113 HydrophobicContact CG-CB 4.25Å; S111-H113 PolarHBondContact O-N 3.09Å; S111-H113 PolarHBondContact OG-N 3.38Å; H113-H156 AromaticContact CE1-CD2 3.7Å; H113-H156 AromaticContact CE1-CE1 3.64Å; H113-H156 AromaticContact CE1-CG 3.62Å; H113-H156 AromaticContact CE1-ND1 3.61Å; H113-H156 AromaticContact CE1-NE2 3.69Å; H113-H156 AromaticContact ND1-CG 3.79Å; H113-H156 AromaticContact ND1-ND1 3.95Å; H113-E160 IonicContact CE1-OE1 3.22Å; H113-E160 IonicContact CG-OE1 3.35Å; H113-E160 IonicContact ND1-OE1 3.23Å; H113-E160 PolarHBondContact ND1-OE1 3.48Å; H113-E160 IonicContact ND1-OE2 3.38Å
114	R	97.9	Very high	96.3	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.019	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-54.6	151	-174.2	69.5	162.7	175.3	-179.7	3.7	112.4	K66 G75 I110 E231 F264	K66-R114 PolarHBondContact NZ-O 3.08Å; G75-R114 VanDerWaalsContact O-CD 3.27Å; G75-R114 WeakPolarHBondContact O-CD 3.11Å; G75-R114 PolarHBondContact O-NH1 3.32Å; I110-R114 HydrophobicContact CG2-CG 4.24Å; R114-E231 IonicContact CZ-OE1 2.91Å; R114-E231 IonicContact CZ-OE2 3.31Å; R114-E231 IonicContact NE-OE1 3.48Å; R114-E231 PolarHBondContact NE-OE1 3.03Å; R114-E231 IonicContact NE-OE2 3.04Å; R114-E231 PolarHBondContact NE-OE2 3.21Å; R114-E231 VanDerWaalsContact NH2-CD 3.29Å; R114-E231 IonicContact NH2-OE1 2.67Å; R114-E231 PolarHBondContact NH2-OE1 3.11Å; R114-E231 IonicContact NH2-OE2 3.68Å; R114-E231 PolarHBondContact NH2-OE2 3.27Å; R114-F264 PolarHBondContact NH1-O 2.99Å; R114-F264 PolarHBondContact NH2-O 3.4Å
115	N	97.3	Very high	96.1	Very high	39 Å²	39	46.3 Å²	46.3	21%	0.209	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-87.2	149.7	172	-64.3	-83.7	0	0	0	109.8	K66 E76 M77 G78	K66-N115 WeakPolarHBondContact CD-OD1 3.04Å; E76-N115 WeakPolarHBondContact OE1-CA 3.49Å; E76-N115 WeakPolarHBondContact OE1-CB 3.16Å; E76-N115 PolarHBondContact OE1-N 3.35Å; E76-N115 PolarHBondContact OE1-ND2 3.12Å; M77-N115 CarbonylContact C-O 3.46Å; M77-N115 WeakPolarHBondContact CA-O 3.37Å; M77-N115 PolarHBondContact N-O 2.04Å; M77-N115 HydrophobicContact SD-CB 3.84Å; G78-N115 PolarHBondContact N-O 3.42Å
116	L	96.6	Very high	95.9	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.141	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-99.9	141.4	169.2	-60.7	-176.3	0	0	0	108.9	E231 Y266	L116-E231 HydrophobicContact CD1-CB 3.94Å; L116-E231 HydrophobicContact CD2-CB 4.46Å; L116-Y266 HydrophobicContact CB-CD1 4.21Å; L116-Y266 HydrophobicContact CB-CE1 4.23Å; L116-Y266 HydrophobicContact CD1-CD1 4.49Å; L116-Y266 HydrophobicContact CD1-CD2 4.28Å; L116-Y266 HydrophobicContact CD1-CE1 4.33Å; L116-Y266 HydrophobicContact CD1-CE2 4.13Å; L116-Y266 HydrophobicContact CD1-CG 4.47Å; L116-Y266 HydrophobicContact CD2-CD1 4.33Å; L116-Y266 HydrophobicContact CD2-CD2 4.48Å; L116-Y266 HydrophobicContact CD2-CG 4.09Å
117	S	93.8	Very high	95.7	Very high	15 Å²	15	54 Å²	54	11%	0.105	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.2	144.8	168.5	58.8	0	0	0	0	110.5	M77 R119	M77-S117 WeakPolarHBondContact O-CB 3.49Å; M77-S117 PolarHBondContact O-N 2.93Å; S117-R119 WeakPolarHBondContact O-CG 3.37Å; S117-R119 PolarHBondContact O-N 2.78Å; S117-R119 PolarHBondContact OG-NE 3.41Å; S117-R119 PolarHBondContact OG-NH2 3.39Å
118	E	92.5	Very high	95.5	Very high	90 Å²	90	61 Å²	61	42%	0.421	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-64.6	121.8	173.7	-170.8	-175	166.2	0	0	111.1	W120 K125 H233	E118-W120 PolarHBondContact OE1-NE1 3.21Å; E118-K125 VanDerWaalsContact OE1-CD 3.32Å; E118-K125 WeakPolarHBondContact OE1-CD 3.03Å; E118-K125 WeakPolarHBondContact OE1-CE 3.36Å; E118-K125 IonicContact OE1-NZ 3.1Å; E118-K125 PolarHBondContact OE1-NZ 3.06Å; E118-K125 VanDerWaalsContact OE2-CE 3.31Å; E118-K125 WeakPolarHBondContact OE2-CE 3.45Å; E118-K125 IonicContact OE2-NZ 2.87Å; E118-K125 PolarHBondContact OE2-NZ 3.43Å; E118-H233 WeakPolarHBondContact CA-NE2 3.34Å
119	R	91.7	Very high	95.4	Very high	100 Å²	100	57.4 Å²	57.4	38%	0.377	28%	0.275	S	S	.	.			trans	-128.1	-8.5	-175.4	-66.6	-56.8	-179.9	167.6	-1.8	115.7	S117 H233 Y266 G268 N269 P270	S117-R119 WeakPolarHBondContact O-CG 3.37Å; S117-R119 PolarHBondContact O-N 2.78Å; S117-R119 PolarHBondContact OG-NE 3.41Å; S117-R119 PolarHBondContact OG-NH2 3.39Å; R119-H233 PolarHBondContact N-NE2 2.93Å; R119-Y266 HydrophobicContact CB-CE1 4Å; R119-Y266 HydrophobicContact CG-CD1 3.99Å; R119-Y266 HydrophobicContact CG-CE1 3.47Å; R119-Y266 VanDerWaalsContact CG-CE1 3.47Å; R119-G268 VanDerWaalsContact CD-O 3.22Å; R119-G268 WeakPolarHBondContact CD-O 3.37Å; R119-G268 WeakPolarHBondContact CG-O 3.41Å; R119-N269 CarbonylContact O-C 3.47Å; R119-P270 WeakPolarHBondContact O-CA 3.45Å; R119-P270 WeakPolarHBondContact O-CB 3.2Å; R119-P270 WeakPolarHBondContact O-CD 3.49Å
120	W	91.6	Very high	95.3	Very high	26 Å²	26	59.1 Å²	59.1	10%	0.098	29%	0.287	C	S	.	.	S	Bend	trans	-70.7	173.2	178.1	59.5	32.6	0	0	0	113.1	E118 C124 K125 H233 E234 P270	E118-W120 PolarHBondContact OE1-NE1 3.21Å; W120-C124 HydrophobicContact CB-CB 4.35Å; W120-C124 HydrophobicContact CD2-CB 4.03Å; W120-C124 HydrophobicContact CE3-CB 4.42Å; W120-C124 HydrophobicContact CG-CB 3.94Å; W120-K125 HydrophobicContact CZ2-CG 3.95Å; W120-H233 AromaticContact CD2-CE1 3.36Å; W120-H233 AromaticContact CD2-ND1 3.92Å; W120-H233 AromaticContact CE2-CE1 3.67Å; W120-H233 AromaticContact CE3-CE1 3.29Å; W120-H233 AromaticContact CE3-ND1 3.33Å; W120-H233 VanDerWaalsContact CE3-ND1 3.33Å; W120-H233 AromaticContact CH2-CE1 3.78Å; W120-H233 AromaticContact CH2-ND1 3.91Å; W120-H233 AromaticContact CZ2-CE1 3.84Å; W120-H233 AromaticContact CZ3-CE1 3.56Å; W120-H233 AromaticContact CZ3-ND1 3.4Å; W120-H233 WeakPolarHBondContact CZ3-ND1 3.16Å; W120-E234 WeakPolarHBondContact CH2-O 3.17Å; W120-E234 WeakPolarHBondContact CZ3-O 3.15Å; W120-P270 WeakPolarHBondContact O-CB 3.4Å
121	N	94.5	Very high	95.2	Very high	36 Å²	36	59.4 Å²	59.4	19%	0.193	29%	0.288	C	S	.	.			trans	-62.5	133.4	167.4	-171	-68.6	0	0	0	110.8	L123 C124	N121-L123 PolarHBondContact O-N 2.9Å; N121-L123 VanDerWaalsContact O-N 3.07Å; N121-L123 WeakPolarHBondContact OD1-CB 3.42Å; N121-L123 WeakPolarHBondContact OD1-CG 3.45Å; N121-L123 PolarHBondContact OD1-N 3.25Å; N121-C124 WeakPolarHBondContact O-CB 3.47Å; N121-C124 PolarHBondContact O-N 3.41Å; N121-C124 PolarHBondContact O-SG 2.84Å
122	P	94.8	Very high	95	Very high	84 Å²	84	63.4 Å²	63.4	55%	0.545	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-54	-31	-178.9	-29.3	36.1	0	0	0	115.1	C124 K125	P122-C124 PolarHBondContact O-N 3.07Å; P122-C124 VanDerWaalsContact O-N 3.17Å; P122-K125 WeakPolarHBondContact O-CB 3.32Å; P122-K125 PolarHBondContact O-N 3.33Å; P122-K125 VanDerWaalsContact O-N 3.14Å
123	L	96.1	Very high	95	Very high	65 Å²	65	65.3 Å²	65.3	34%	0.34	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63	-20.4	177.5	-64.1	176.9	0	0	0	112.8	N121 K125 E126 P300 T301	N121-L123 PolarHBondContact O-N 2.9Å; N121-L123 VanDerWaalsContact O-N 3.07Å; N121-L123 WeakPolarHBondContact OD1-CB 3.42Å; N121-L123 WeakPolarHBondContact OD1-CG 3.45Å; N121-L123 PolarHBondContact OD1-N 3.25Å; L123-K125 PolarHBondContact O-N 2.88Å; L123-E126 WeakPolarHBondContact O-CB 3.08Å; L123-E126 PolarHBondContact O-N 3.19Å; L123-E126 VanDerWaalsContact O-N 3.13Å; L123-P300 HydrophobicContact CD1-CG 4.46Å; L123-T301 HydrophobicContact CB-CG2 3.54Å
124	C	96.2	Very high	94.9	Very high	7 Å²	7	63.7 Å²	63.7	5%	0.047	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-62.8	-28.5	175.7	-67.2	0	0	0	0	112.7	W120 N121 P122 E126 L127 C357	W120-C124 HydrophobicContact CB-CB 4.35Å; W120-C124 HydrophobicContact CD2-CB 4.03Å; W120-C124 HydrophobicContact CE3-CB 4.42Å; W120-C124 HydrophobicContact CG-CB 3.94Å; N121-C124 WeakPolarHBondContact O-CB 3.47Å; N121-C124 PolarHBondContact O-N 3.41Å; N121-C124 PolarHBondContact O-SG 2.84Å; P122-C124 PolarHBondContact O-N 3.07Å; P122-C124 VanDerWaalsContact O-N 3.17Å; C124-E126 VanDerWaalsContact C-N 3.26Å; C124-E126 PolarHBondContact O-N 3.13Å; C124-L127 WeakPolarHBondContact O-CB 3.25Å; C124-L127 PolarHBondContact O-N 3.35Å; C124-C357 VanDerWaalsContact CA-SG 3.51Å; C124-C357 HydrophobicContact CB-CB 3.58Å; C124-C357 WeakPolarHBondContact CB-SG 3.37Å; C124-C357 WeakPolarHBondContact SG-CA 3.25Å; C124-C357 WeakPolarHBondContact SG-CB 3.45Å; C124-C357 CovalentContact SG-SG 2.04Å; C124-C357 PolarHBondContact SG-SG 2.87Å
125	K	92.2	Very high	95	Very high	117 Å²	117	64.6 Å²	64.6	51%	0.509	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-68	-25.8	175.3	-74.6	173.3	148.3	159.3	0	113.6	E118 W120 P122 L123	E118-K125 VanDerWaalsContact OE1-CD 3.32Å; E118-K125 WeakPolarHBondContact OE1-CD 3.03Å; E118-K125 WeakPolarHBondContact OE1-CE 3.36Å; E118-K125 IonicContact OE1-NZ 3.1Å; E118-K125 PolarHBondContact OE1-NZ 3.06Å; E118-K125 VanDerWaalsContact OE2-CE 3.31Å; E118-K125 WeakPolarHBondContact OE2-CE 3.45Å; E118-K125 IonicContact OE2-NZ 2.87Å; E118-K125 PolarHBondContact OE2-NZ 3.43Å; W120-K125 HydrophobicContact CZ2-CG 3.95Å; P122-K125 WeakPolarHBondContact O-CB 3.32Å; P122-K125 PolarHBondContact O-N 3.33Å; P122-K125 VanDerWaalsContact O-N 3.14Å; L123-K125 PolarHBondContact O-N 2.88Å
126	E	94	Very high	95	Very high	138 Å²	138	64.7 Å²	64.7	65%	0.645	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-79	-15.2	-178.5	-58.5	-179.4	-173.7	0	0	111.4	L123 C124 K128	L123-E126 WeakPolarHBondContact O-CB 3.08Å; L123-E126 PolarHBondContact O-N 3.19Å; L123-E126 VanDerWaalsContact O-N 3.13Å; C124-E126 VanDerWaalsContact C-N 3.26Å; C124-E126 PolarHBondContact O-N 3.13Å; E126-K128 PolarHBondContact O-N 3.29Å
127	L	93.9	Very high	95.2	Very high	45 Å²	45	63.4 Å²	63.4	24%	0.236	31%	0.307	C	S	.	.			trans	-66.3	125.3	176.6	-61.3	-179.2	0	0	0	110.8	C124 Y129 C357	C124-L127 WeakPolarHBondContact O-CB 3.25Å; C124-L127 PolarHBondContact O-N 3.35Å; L127-Y129 HydrophobicContact CB-CE2 4.01Å; L127-Y129 WeakPolarHBondContact CD1-OH 3.47Å; L127-C357 HydrophobicContact CD1-CB 4.14Å; L127-C357 VanDerWaalsContact CD1-SG 3.54Å
128	K	94.1	Very high	95.4	Very high	147 Å²	147	62.7 Å²	62.7	64%	0.639	30%	0.302	S	S	*	.			trans	-104	142.7	174.1	-58.1	-60.7	-177.3	178.8	0	110.5	E126	E126-K128 PolarHBondContact O-N 3.29Å
129	Y	95.4	Very high	95.7	Very high	22 Å²	22	58.4 Å²	58.4	9%	0.086	28%	0.282	C	S	.	.			trans	-124.7	139.1	-177	-58.3	-80	0	0	0	110.4	N56 L127 Y131 E238 P239 K242	N56-Y129 PolarHBondContact OD1-O 3.32Å; L127-Y129 HydrophobicContact CB-CE2 4.01Å; L127-Y129 WeakPolarHBondContact CD1-OH 3.47Å; Y129-Y131 PolarHBondContact O-N 2.86Å; Y129-E238 HydrophobicContact CD1-CB 3.77Å; Y129-E238 HydrophobicContact CD2-CB 3.75Å; Y129-E238 HydrophobicContact CD2-CG 4.26Å; Y129-E238 HydrophobicContact CE1-CB 3.86Å; Y129-E238 HydrophobicContact CE2-CB 3.83Å; Y129-E238 HydrophobicContact CG-CB 3.73Å; Y129-E238 HydrophobicContact CG-CG 4.39Å; Y129-P239 WeakPolarHBondContact OH-CG 3.34Å; Y129-K242 HydrophobicContact CD1-CB 4.04Å; Y129-K242 HydrophobicContact CD1-CD 3.7Å; Y129-K242 HydrophobicContact CD1-CG 4.38Å; Y129-K242 HydrophobicContact CE1-CB 4.05Å; Y129-K242 HydrophobicContact CE1-CD 3.6Å; Y129-K242 HydrophobicContact CE1-CG 4.45Å
130	H	94.7	Very high	96	Very high	143 Å²	143	53.6 Å²	53.6	66%	0.662	26%	0.264	S	S	*	.			trans	-96.9	80.9	176.1	-63.8	-63.5	0	0	0	110.3	K132 T133 L134	H130-K132 VanDerWaalsContact C-N 3.34Å; H130-K132 PolarHBondContact O-N 3.33Å; H130-T133 PolarHBondContact O-N 3.16Å; H130-T133 PolarHBondContact O-OG1 2.68Å; H130-L134 PolarHBondContact O-N 2.83Å
131	Y	96.3	Very high	96.4	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.039	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-51.9	-42.4	-168.3	-68.8	-89.7	0	0	0	115	N56 L59 K60 Y129 T133 L134 P163 I165 L166 E238	N56-Y131 VanDerWaalsContact OD1-CD2 3.23Å; N56-Y131 WeakPolarHBondContact OD1-CD2 3.33Å; L59-Y131 HydrophobicContact CB-CD2 4.21Å; L59-Y131 HydrophobicContact CB-CG 4.09Å; K60-Y131 HydrophobicContact CB-CE1 4.45Å; K60-Y131 HydrophobicContact CB-CE2 4.18Å; K60-Y131 VanDerWaalsContact CG-OH 3.31Å; K60-Y131 WeakPolarHBondContact CG-OH 3.44Å; Y129-Y131 PolarHBondContact O-N 2.86Å; Y131-T133 PolarHBondContact O-N 2.74Å; Y131-L134 PolarHBondContact O-N 2.91Å; Y131-P163 HydrophobicContact CD1-CB 4.25Å; Y131-P163 HydrophobicContact CD1-CG 4.42Å; Y131-P163 HydrophobicContact CE1-CB 4.06Å; Y131-P163 HydrophobicContact CE1-CG 3.78Å; Y131-I165 HydrophobicContact CD1-CG2 4.16Å; Y131-I165 HydrophobicContact CG-CG2 4.46Å; Y131-L166 HydrophobicContact CD1-CD1 3.78Å; Y131-L166 HydrophobicContact CD1-CD2 4.39Å; Y131-L166 HydrophobicContact CD1-CG 4.08Å; Y131-L166 HydrophobicContact CE1-CD1 4.07Å; Y131-E238 HydrophobicContact CE1-CG 3.71Å; Y131-E238 PolarHBondContact OH-OE1 3.02Å
132	K	95.7	Very high	96.5	Very high	131 Å²	131	51 Å²	51	57%	0.57	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.1	-19.3	179.7	-67.4	-178.5	176.2	167.6	0	114.2	E55 L59 H130 I165	E55-K132 VanDerWaalsContact OE1-CE 3.29Å; E55-K132 WeakPolarHBondContact OE1-CE 3.27Å; E55-K132 IonicContact OE1-NZ 2.66Å; E55-K132 PolarHBondContact OE1-NZ 3.3Å; E55-K132 IonicContact OE2-NZ 2.82Å; E55-K132 PolarHBondContact OE2-NZ 2.85Å; L59-K132 HydrophobicContact CD1-CD 4.38Å; L59-K132 HydrophobicContact CD1-CG 3.71Å; H130-K132 VanDerWaalsContact C-N 3.34Å; H130-K132 PolarHBondContact O-N 3.33Å; K132-I165 HydrophobicContact CG-CD1 4.38Å
133	T	96.5	Very high	96.6	Very high	72 Å²	72	47.1 Å²	47.1	44%	0.442	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-112	-4.7	-174.1	71.3	0	0	0	0	113	H130 Y131 K245	H130-T133 PolarHBondContact O-N 3.16Å; H130-T133 PolarHBondContact O-OG1 2.68Å; Y131-T133 PolarHBondContact O-N 2.74Å; T133-K245 VanDerWaalsContact O-CD 3.27Å; T133-K245 WeakPolarHBondContact O-CD 3.42Å; T133-K245 WeakPolarHBondContact O-CE 3.22Å; T133-K245 PolarHBondContact O-NZ 2.62Å; T133-K245 PolarHBondContact OG1-NZ 3.06Å
134	L	98.2	Very high	96.6	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	23%	0.225	C	C	.	.	S	Bend	trans	-77.7	146.5	175.6	-71.1	-178.5	0	0	0	109.6	H130 Y131 L166 K242 K245	H130-L134 PolarHBondContact O-N 2.83Å; Y131-L134 PolarHBondContact O-N 2.91Å; L134-L166 HydrophobicContact CB-CD2 3.62Å; L134-L166 HydrophobicContact CD1-CD1 3.93Å; L134-L166 HydrophobicContact CD1-CD2 4.25Å; L134-K242 HydrophobicContact CD2-CB 3.97Å; L134-K245 HydrophobicContact CD2-CD 4.13Å
135	P	98.5	Very high	96.6	Very high	23 Å²	23	48.2 Å²	48.2	15%	0.149	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-66.1	152.6	175.8	28.6	-34.8	0	0	0	110.7	D221 V222 L241 K245	P135-D221 HydrophobicContact CB-CB 3.86Å; P135-V222 HydrophobicContact CB-CG2 3.94Å; P135-V222 HydrophobicContact CG-CG2 3.85Å; P135-L241 HydrophobicContact CG-CB 4.19Å; P135-K245 HydrophobicContact CG-CB 4.48Å
136	T	98.8	Very high	96.8	Very high	41 Å²	41	43.5 Å²	43.5	25%	0.252	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-80.6	154.2	171.4	62.2	0	0	0	0	110.9	L166 D221 V222	T136-L166 CarbonylContact C-O 3.03Å; T136-L166 VanDerWaalsContact CA-O 3.31Å; T136-L166 WeakPolarHBondContact CA-O 3.27Å; T136-D221 PolarHBondContact N-OD2 3.38Å; T136-D221 PolarHBondContact O-N 2.68Å; T136-D221 PolarHBondContact OG1-N 3.08Å; T136-D221 PolarHBondContact OG1-OD2 3.27Å; T136-V222 PolarHBondContact O-N 2.63Å
137	T	98.9	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143	176.2	-168.2	0	0	0	0	113.3	V139 L166 L167 R168 V222 T224 L237 L241	T137-V139 HydrophobicContact CG2-CG2 4.24Å; T137-L166 PolarHBondContact N-O 2.92Å; T137-L167 HydrophobicContact CG2-CD1 4.21Å; T137-R168 VanDerWaalsContact O-CB 3.25Å; T137-R168 WeakPolarHBondContact O-CB 3.43Å; T137-R168 PolarHBondContact O-N 2.96Å; T137-V222 CarbonylContact C-O 3.2Å; T137-V222 WeakPolarHBondContact CA-O 3.46Å; T137-V222 PolarHBondContact OG1-O 3.42Å; T137-T224 WeakPolarHBondContact OG1-CB 3.29Å; T137-T224 PolarHBondContact OG1-OG1 3Å; T137-L237 HydrophobicContact CG2-CD1 3.88Å; T137-L237 HydrophobicContact CG2-CD2 3.85Å; T137-L237 HydrophobicContact CG2-CG 4.44Å; T137-L241 HydrophobicContact CG2-CD1 4.33Å; T137-L241 HydrophobicContact CG2-CD2 4.49Å
138	S	98.9	Very high	97.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.5	160.3	-67.5	0	0	0	0	108.9	E169 T219 G220 V222 T224	S138-E169 WeakPolarHBondContact CA-O 3.36Å; S138-E169 VanDerWaalsContact OG-CG 3.32Å; S138-E169 WeakPolarHBondContact OG-CG 3.49Å; S138-E169 PolarHBondContact OG-OE1 2.93Å; S138-T219 PolarHBondContact OG-N 2.93Å; S138-G220 PolarHBondContact OG-N 2.7Å; S138-V222 PolarHBondContact N-O 3.3Å; S138-T224 PolarHBondContact O-N 2.92Å
139	V	98.9	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121.4	174.5	177.6	0	0	0	0	108.7	T137 I141 V158 L167 E169 V170 V171 T224 L226 W236	T137-V139 HydrophobicContact CG2-CG2 4.24Å; V139-I141 HydrophobicContact CG1-CD1 4.16Å; V139-I141 HydrophobicContact CG1-CG1 4.1Å; V139-V158 HydrophobicContact CB-CG1 4.28Å; V139-V158 HydrophobicContact CG1-CG1 4.21Å; V139-V158 HydrophobicContact CG1-CG2 4.29Å; V139-V158 HydrophobicContact CG2-CG1 3.99Å; V139-L167 HydrophobicContact CB-CD1 4.29Å; V139-L167 HydrophobicContact CG2-CD1 3.54Å; V139-E169 PolarHBondContact N-O 2.78Å; V139-V170 HydrophobicContact CB-CG2 4.45Å; V139-V170 CarbonylContact O-C 3.52Å; V139-V170 WeakPolarHBondContact O-CA 3.2Å; V139-V171 PolarHBondContact O-N 3.27Å; V139-T224 CarbonylContact C-O 3.59Å; V139-T224 WeakPolarHBondContact CA-O 3.47Å; V139-T224 HydrophobicContact CG2-CG2 4.39Å; V139-L226 HydrophobicContact CG1-CD1 3.9Å; V139-L226 HydrophobicContact CG1-CG 4.25Å; V139-W236 HydrophobicContact CG2-CH2 4.49Å
140	V	98.8	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.6	-178.6	-178.9	0	0	0	0	109.5	V171 V173 T224 F225 L226	V140-V171 WeakPolarHBondContact CA-O 3.4Å; V140-V171 HydrophobicContact CG2-CB 4.41Å; V140-V173 HydrophobicContact CG1-CG2 4.42Å; V140-T224 PolarHBondContact N-O 2.85Å; V140-F225 HydrophobicContact CB-CD1 3.8Å; V140-F225 HydrophobicContact CB-CE1 3.91Å; V140-F225 HydrophobicContact CG1-CD1 4.02Å; V140-F225 HydrophobicContact CG1-CE1 3.96Å; V140-F225 HydrophobicContact CG2-CE1 4.31Å; V140-F225 WeakPolarHBondContact O-CA 3.06Å; V140-L226 PolarHBondContact O-N 2.76Å; V140-L226 VanDerWaalsContact O-N 3.12Å
141	I	98.8	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	105.8	179.6	-60	161.2	0	0	0	108.4	V139 T154 V170 V171 L172 V173 L226 C228	V139-I141 HydrophobicContact CG1-CD1 4.16Å; V139-I141 HydrophobicContact CG1-CG1 4.1Å; I141-T154 HydrophobicContact CD1-CG2 3.93Å; I141-V170 HydrophobicContact CD1-CG1 3.92Å; I141-V171 PolarHBondContact N-O 3Å; I141-L172 HydrophobicContact CB-CD2 3.69Å; I141-L172 HydrophobicContact CD1-CD2 3.94Å; I141-L172 HydrophobicContact CG1-CD2 4.37Å; I141-L172 HydrophobicContact CG2-CD2 4.06Å; I141-L172 CarbonylContact O-C 3.21Å; I141-L172 WeakPolarHBondContact O-CA 3.31Å; I141-V173 PolarHBondContact O-N 2.91Å; I141-L226 WeakPolarHBondContact CA-O 3.37Å; I141-L226 HydrophobicContact CG1-CB 4.02Å; I141-C228 HydrophobicContact CG2-CB 3.7Å
142	A	97.6	Very high	97.8	Very high	6 Å²	6	23.8 Å²	23.8	5%	0.05	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.5	170.9	0	0	0	0	0	109.6	V173 L207 A210 R211	A142-V173 WeakPolarHBondContact CA-O 3.45Å; A142-V173 HydrophobicContact CB-CB 4.43Å; A142-L207 HydrophobicContact CB-CD1 4.21Å; A142-A210 HydrophobicContact CB-CB 3.83Å; A142-R211 HydrophobicContact CB-CG 4.14Å
143	F	97.2	Very high	97.9	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.018	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.3	179.4	70.1	-87.9	0	0	0	112	E146 L151 L172 V173 D174 D175 L182 L186 L198 C228	F143-E146 HydrophobicContact CB-CB 4.28Å; F143-L151 HydrophobicContact CB-CD1 4.31Å; F143-L151 HydrophobicContact CD1-CD1 4.19Å; F143-L151 HydrophobicContact CD2-CD2 4.18Å; F143-L151 HydrophobicContact CE2-CD2 4.19Å; F143-L151 HydrophobicContact CG-CD1 4.2Å; F143-L151 HydrophobicContact CG-CD2 4.34Å; F143-L151 HydrophobicContact CZ-CD2 4.35Å; F143-L172 HydrophobicContact CE1-CB 4.07Å; F143-V173 WeakPolarHBondContact CD1-O 2.81Å; F143-V173 PolarHBondContact N-O 2.72Å; F143-D174 HydrophobicContact CE1-CB 3.95Å; F143-D174 HydrophobicContact CE2-CB 3.87Å; F143-D174 HydrophobicContact CZ-CB 3.44Å; F143-D174 VanDerWaalsContact CZ-CB 3.44Å; F143-D175 WeakPolarHBondContact O-CB 3.42Å; F143-D175 PolarHBondContact O-N 3.36Å; F143-L182 HydrophobicContact CD2-CD1 4.23Å; F143-L182 HydrophobicContact CD2-CD2 4.43Å; F143-L182 HydrophobicContact CE2-CB 4.29Å; F143-L182 HydrophobicContact CE2-CD1 4.1Å; F143-L182 HydrophobicContact CE2-CD2 4.03Å; F143-L182 HydrophobicContact CE2-CG 4.36Å; F143-L186 HydrophobicContact CE1-CD2 4.48Å; F143-L186 HydrophobicContact CE2-CD2 4.12Å; F143-L186 HydrophobicContact CZ-CD2 3.63Å; F143-L198 HydrophobicContact CE1-CD1 3.82Å; F143-L198 HydrophobicContact CZ-CD1 3.92Å; F143-C228 HydrophobicContact CB-CB 3.61Å; F143-C228 VanDerWaalsContact CB-SG 3.56Å
144	Y	95.4	Very high	98	Very high	72 Å²	72	14.3 Å²	14.3	28%	0.282	7%	0.069	S	C	.	.	S	Bend	trans	-141.9	118.9	172.4	173	-103.6	0	0	0	109.6	E146 D175 Y176 S177 R204	Y144-E146 PolarHBondContact O-N 2.99Å; Y144-E146 VanDerWaalsContact O-N 3.07Å; Y144-D175 WeakPolarHBondContact CD2-O 3.43Å; Y144-Y176 WeakPolarHBondContact CE2-O 3.4Å; Y144-S177 WeakPolarHBondContact CA-OG 3.49Å; Y144-R204 VanDerWaalsContact CD1-CZ 3.47Å; Y144-R204 VanDerWaalsContact CD2-CZ 3.41Å; Y144-R204 VanDerWaalsContact CD2-NH1 3.3Å; Y144-R204 VanDerWaalsContact CG-NH1 3.35Å; Y144-R204 PolarHBondContact OH-NH1 3.48Å
145	N	95.3	Very high	98	Very high	23 Å²	23	13.4 Å²	13.4	12%	0.123	7%	0.065	C	C	.	.	S	Bend	trans	54.3	26.4	176.8	-73.5	-3.9	0	0	0	114.9	S177 D178 R179	N145-S177 PolarHBondContact N-OG 2.9Å; N145-S177 VanDerWaalsContact OD1-CA 3.25Å; N145-S177 WeakPolarHBondContact OD1-CA 3.45Å; N145-S177 WeakPolarHBondContact OD1-CB 3.43Å; N145-D178 VanDerWaalsContact CG-OD1 3.31Å; N145-D178 VanDerWaalsContact ND2-CG 3.25Å; N145-D178 PolarHBondContact ND2-OD1 3.2Å; N145-D178 PolarHBondContact ND2-OD2 3.36Å; N145-D178 PolarHBondContact OD1-N 3.19Å; N145-D178 PolarHBondContact OD1-OD1 2.89Å; N145-D178 VanDerWaalsContact OD1-OD1 3.08Å; N145-R179 HydrophobicContact CB-CG 4.1Å
146	E	96.8	Very high	98.1	Very high	18 Å²	18	12.9 Å²	12.9	8%	0.084	6%	0.06	C	C	.	.			trans	-65.8	151.7	-179.6	-169.4	56.1	-107.6	0	0	111.9	F143 Y144 T150 L151 H181 C228 H229	F143-E146 HydrophobicContact CB-CB 4.28Å; Y144-E146 PolarHBondContact O-N 2.99Å; Y144-E146 VanDerWaalsContact O-N 3.07Å; E146-T150 PolarHBondContact OE1-OG1 3.42Å; E146-L151 HydrophobicContact CB-CB 4.43Å; E146-L151 HydrophobicContact CG-CB 3.94Å; E146-H181 PolarHBondContact O-NE2 3.08Å; E146-C228 HydrophobicContact CB-CB 4.47Å; E146-C228 HydrophobicContact CG-CB 3.95Å; E146-C228 PolarHBondContact OE2-SG 2.67Å; E146-H229 IonicContact OE1-ND1 2.84Å; E146-H229 IonicContact OE2-CE1 2.75Å; E146-H229 IonicContact OE2-CG 2.82Å; E146-H229 IonicContact OE2-ND1 2.64Å; E146-H229 PolarHBondContact OE2-ND1 2.74Å
147	A	96.8	Very high	98.1	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.033	5%	0.051	C	C	.	.			trans	-66.7	147.3	172.6	0	0	0	0	0	111.3	T104 S149 T150 L151	T104-A147 HydrophobicContact CG2-CB 3.54Å; A147-S149 PolarHBondContact O-N 3.11Å; A147-T150 VanDerWaalsContact CB-OG1 3.29Å; A147-T150 WeakPolarHBondContact CB-OG1 3.41Å; A147-T150 PolarHBondContact O-OG1 3.12Å; A147-L151 WeakPolarHBondContact O-CB 3.37Å; A147-L151 PolarHBondContact O-N 2.7Å; A147-L151 VanDerWaalsContact O-N 3.08Å
148	W	98.1	Very high	98.1	Very high	78 Å²	78	11.3 Å²	11.3	30%	0.295	5%	0.051	S	C	.	.	H	α-helix	trans	-60.1	-49	-177.9	177.7	-96.6	0	0	0	112	L152 H181 P185 L186 Y189	W148-L152 HydrophobicContact CD2-CD1 3.88Å; W148-L152 HydrophobicContact CD2-CG 4.42Å; W148-L152 HydrophobicContact CG-CD1 4.31Å; W148-L152 HydrophobicContact CH2-CD1 4.2Å; W148-L152 HydrophobicContact CZ2-CD1 3.47Å; W148-L152 VanDerWaalsContact CZ2-CD1 3.47Å; W148-L152 VanDerWaalsContact NE1-CD1 3.34Å; W148-L152 WeakPolarHBondContact O-CB 3.38Å; W148-L152 WeakPolarHBondContact O-CG 3.34Å; W148-L152 PolarHBondContact O-N 2.81Å; W148-H181 HydrophobicContact CE3-CB 4.2Å; W148-H181 WeakPolarHBondContact CZ3-O 3.15Å; W148-P185 HydrophobicContact CH2-CB 4.45Å; W148-P185 HydrophobicContact CZ3-CB 4.37Å; W148-L186 HydrophobicContact CZ3-CB 3.97Å; W148-L186 HydrophobicContact CZ3-CD1 3.97Å; W148-Y189 HydrophobicContact CH2-CD2 4.39Å; W148-Y189 HydrophobicContact CH2-CG 4.15Å; W148-Y189 AromaticContact CZ2-CD2 3.9Å; W148-Y189 HydrophobicContact CZ2-CD2 3.9Å; W148-Y189 HydrophobicContact CZ2-CG 4.05Å
149	S	98.4	Very high	98.1	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.028	5%	0.051	C	C	.	.	H	α-helix	trans	-67.9	-39	-176.5	52.5	0	0	0	0	113	S107 D108 L112 A147 R153	S107-S149 VanDerWaalsContact CB-OG 3.3Å; S107-S149 WeakPolarHBondContact CB-OG 3.45Å; S107-S149 WeakPolarHBondContact OG-CB 3.25Å; S107-S149 PolarHBondContact OG-OG 2.76Å; D108-S149 WeakPolarHBondContact OD1-CB 3.41Å; D108-S149 PolarHBondContact OD1-OG 2.87Å; L112-S149 WeakPolarHBondContact CD2-O 3.46Å; A147-S149 PolarHBondContact O-N 3.11Å; S149-R153 WeakPolarHBondContact O-CB 3.48Å; S149-R153 PolarHBondContact O-N 3.36Å
150	T	98.3	Very high	98	Very high	4 Å²	4	12 Å²	12	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-68.1	-46.2	177.6	46.7	0	0	0	0	111.9	E146 A147 R153 T154 C228 F264	E146-T150 PolarHBondContact OE1-OG1 3.42Å; A147-T150 VanDerWaalsContact CB-OG1 3.29Å; A147-T150 WeakPolarHBondContact CB-OG1 3.41Å; A147-T150 PolarHBondContact O-OG1 3.12Å; T150-R153 PolarHBondContact O-N 3.1Å; T150-T154 PolarHBondContact O-N 3.16Å; T150-T154 PolarHBondContact O-OG1 3.4Å; T150-C228 CarbonylContact C-O 3.56Å; T150-F264 HydrophobicContact CG2-CE1 4.12Å; T150-F264 HydrophobicContact CG2-CZ 4.06Å
151	L	98.7	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.9	-51.7	177.1	176.2	62.1	0	0	0	111.4	F143 E146 A147 T154 V155 L182 L186 C228	F143-L151 HydrophobicContact CB-CD1 4.31Å; F143-L151 HydrophobicContact CD1-CD1 4.19Å; F143-L151 HydrophobicContact CD2-CD2 4.18Å; F143-L151 HydrophobicContact CE2-CD2 4.19Å; F143-L151 HydrophobicContact CG-CD1 4.2Å; F143-L151 HydrophobicContact CG-CD2 4.34Å; F143-L151 HydrophobicContact CZ-CD2 4.35Å; E146-L151 HydrophobicContact CB-CB 4.43Å; E146-L151 HydrophobicContact CG-CB 3.94Å; A147-L151 WeakPolarHBondContact O-CB 3.37Å; A147-L151 PolarHBondContact O-N 2.7Å; A147-L151 VanDerWaalsContact O-N 3.08Å; L151-T154 WeakPolarHBondContact O-CB 3.39Å; L151-T154 PolarHBondContact O-N 3.18Å; L151-V155 WeakPolarHBondContact O-CG2 3.34Å; L151-V155 PolarHBondContact O-N 3Å; L151-V155 VanDerWaalsContact O-N 3.09Å; L151-L182 HydrophobicContact CD2-CD2 3.73Å; L151-L186 HydrophobicContact CD2-CD1 4.1Å; L151-L186 HydrophobicContact CD2-CD2 3.98Å; L151-C228 WeakPolarHBondContact CA-O 3.21Å; L151-C228 HydrophobicContact CD1-CB 3.82Å; L151-C228 PolarHBondContact N-O 2.85Å
152	L	98.8	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-70	-35	-177.5	-68.9	-173.2	0	0	0	112.9	L112 W148 T154 V155 H156 L186 Y189 L190	L112-L152 HydrophobicContact CD1-CB 3.98Å; L112-L152 HydrophobicContact CD1-CD1 4.11Å; L112-L152 HydrophobicContact CD2-CB 4.28Å; W148-L152 HydrophobicContact CD2-CD1 3.88Å; W148-L152 HydrophobicContact CD2-CG 4.42Å; W148-L152 HydrophobicContact CG-CD1 4.31Å; W148-L152 HydrophobicContact CH2-CD1 4.2Å; W148-L152 HydrophobicContact CZ2-CD1 3.47Å; W148-L152 VanDerWaalsContact CZ2-CD1 3.47Å; W148-L152 VanDerWaalsContact NE1-CD1 3.34Å; W148-L152 WeakPolarHBondContact O-CB 3.38Å; W148-L152 WeakPolarHBondContact O-CG 3.34Å; W148-L152 PolarHBondContact O-N 2.81Å; L152-T154 VanDerWaalsContact C-N 3.25Å; L152-T154 PolarHBondContact O-N 3.43Å; L152-V155 PolarHBondContact O-N 3.45Å; L152-H156 PolarHBondContact O-CD2 3.18Å; L152-H156 VanDerWaalsContact O-CD2 3.23Å; L152-H156 PolarHBondContact O-N 3.21Å; L152-L186 HydrophobicContact CD2-CD1 4Å; L152-Y189 HydrophobicContact CD1-CD1 3.84Å; L152-Y189 HydrophobicContact CD1-CD2 4.28Å; L152-Y189 HydrophobicContact CD1-CE1 3.6Å; L152-Y189 HydrophobicContact CD1-CE2 4.05Å; L152-Y189 HydrophobicContact CD1-CG 4.18Å; L152-Y189 HydrophobicContact CD2-CD1 3.61Å; L152-Y189 HydrophobicContact CD2-CE1 3.66Å; L152-Y189 HydrophobicContact CG-CD1 4.39Å; L152-Y189 HydrophobicContact CG-CE1 4.19Å; L152-L190 HydrophobicContact CD2-CD2 4.12Å
153	R	98.8	Very high	98.1	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-36.7	172.9	-171.1	178	-58.4	111.8	7.4	111.2	S107 I110 S111 L112 S149 T150 S157 E231	S107-R153 PolarHBondContact O-NH2 2.78Å; S107-R153 PolarHBondContact OG-NH1 3.3Å; S107-R153 PolarHBondContact OG-NH2 2.87Å; I110-R153 PolarHBondContact O-NH2 2.97Å; S111-R153 PolarHBondContact O-NE 3.43Å; L112-R153 HydrophobicContact CD2-CB 4.24Å; S149-R153 WeakPolarHBondContact O-CB 3.48Å; S149-R153 PolarHBondContact O-N 3.36Å; T150-R153 PolarHBondContact O-N 3.1Å; R153-S157 WeakPolarHBondContact O-CB 3.23Å; R153-S157 PolarHBondContact O-N 3.1Å; R153-E231 WeakPolarHBondContact CD-OE1 3.36Å; R153-E231 HydrophobicContact CG-CG 4.09Å
154	T	98.9	Very high	98.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-62	-48.5	172.9	-52.9	0	0	0	0	111.5	I141 T150 L151 L152 S157 V158 D227 C228 H229 C230	I141-T154 HydrophobicContact CD1-CG2 3.93Å; T150-T154 PolarHBondContact O-N 3.16Å; T150-T154 PolarHBondContact O-OG1 3.4Å; L151-T154 WeakPolarHBondContact O-CB 3.39Å; L151-T154 PolarHBondContact O-N 3.18Å; L152-T154 VanDerWaalsContact C-N 3.25Å; L152-T154 PolarHBondContact O-N 3.43Å; T154-S157 PolarHBondContact O-N 2.58Å; T154-V158 WeakPolarHBondContact O-CG2 3.35Å; T154-V158 PolarHBondContact O-N 3.19Å; T154-D227 WeakPolarHBondContact CG2-O 3.42Å; T154-C228 PolarHBondContact OG1-O 2.9Å; T154-C228 VanDerWaalsContact OG1-O 3.14Å; T154-H229 WeakPolarHBondContact OG1-CA 3.39Å; T154-H229 PolarHBondContact OG1-N 2.75Å; T154-C230 VanDerWaalsContact CA-O 3.26Å; T154-C230 WeakPolarHBondContact CA-O 3.43Å; T154-C230 HydrophobicContact CG2-CB 4.04Å; T154-C230 PolarHBondContact OG1-N 3.46Å; T154-C230 PolarHBondContact OG1-O 3.38Å
155	V	98.8	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-51.1	179.1	173.6	0	0	0	0	111.3	L151 L152 V158 L159 L172 L190 L193 V196	L151-V155 WeakPolarHBondContact O-CG2 3.34Å; L151-V155 PolarHBondContact O-N 3Å; L151-V155 VanDerWaalsContact O-N 3.09Å; L152-V155 PolarHBondContact O-N 3.45Å; V155-V158 PolarHBondContact O-N 3.1Å; V155-L159 HydrophobicContact CG1-CD1 3.95Å; V155-L159 WeakPolarHBondContact O-CG 3.44Å; V155-L159 PolarHBondContact O-N 3.23Å; V155-L172 HydrophobicContact CG2-CD1 3.82Å; V155-L172 HydrophobicContact CG2-CD2 3.88Å; V155-L172 HydrophobicContact CG2-CG 4.37Å; V155-L190 HydrophobicContact CG1-CD2 4.48Å; V155-L193 HydrophobicContact CG1-CD1 4.01Å; V155-V196 HydrophobicContact CG1-CG2 4.15Å
156	H	98.8	Very high	98.4	Very high	12 Å²	12	13.3 Å²	13.3	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-43.8	178.8	-77.4	-58	0	0	0	111.6	H113 L152 V158 L159 E160 Y189	H113-H156 AromaticContact CE1-CD2 3.7Å; H113-H156 AromaticContact CE1-CE1 3.64Å; H113-H156 AromaticContact CE1-CG 3.62Å; H113-H156 AromaticContact CE1-ND1 3.61Å; H113-H156 AromaticContact CE1-NE2 3.69Å; H113-H156 AromaticContact ND1-CG 3.79Å; H113-H156 AromaticContact ND1-ND1 3.95Å; L152-H156 PolarHBondContact O-CD2 3.18Å; L152-H156 VanDerWaalsContact O-CD2 3.23Å; L152-H156 PolarHBondContact O-N 3.21Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.32Å; H156-L159 PolarHBondContact O-N 3.14Å; H156-L159 VanDerWaalsContact O-N 3.13Å; H156-E160 IonicContact ND1-OE1 3.38Å; H156-E160 WeakPolarHBondContact O-CB 3.12Å; H156-E160 WeakPolarHBondContact O-CG 3.29Å; H156-E160 PolarHBondContact O-N 2.04Å; H156-Y189 AromaticContact NE2-CE1 3.65Å; H156-Y189 AromaticContact NE2-CZ 3.66Å; H156-Y189 PolarHBondContact NE2-OH 2.92Å
157	S	98.8	Very high	98.5	Very high	7 Å²	7	12.5 Å²	12.5	5%	0.049	6%	0.062	C	C	.	.	H	α-helix	trans	-56.7	-43.8	176.9	-178.1	0	0	0	0	112.1	R153 T154 E160 T161 C232	R153-S157 WeakPolarHBondContact O-CB 3.23Å; R153-S157 PolarHBondContact O-N 3.1Å; T154-S157 PolarHBondContact O-N 2.58Å; S157-E160 PolarHBondContact O-N 3.45Å; S157-T161 WeakPolarHBondContact O-CB 3.31Å; S157-T161 WeakPolarHBondContact O-CG2 3.11Å; S157-T161 PolarHBondContact O-N 3.01Å; S157-T161 VanDerWaalsContact O-N 3.1Å; S157-T161 PolarHBondContact O-OG1 3.14Å; S157-C232 PolarHBondContact OG-N 2.59Å
158	V	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-49.7	174.6	171.1	0	0	0	0	111.2	V139 T154 V155 H156 E160 T161 S162 L167 V170 L226	V139-V158 HydrophobicContact CB-CG1 4.28Å; V139-V158 HydrophobicContact CG1-CG1 4.21Å; V139-V158 HydrophobicContact CG1-CG2 4.29Å; V139-V158 HydrophobicContact CG2-CG1 3.99Å; T154-V158 WeakPolarHBondContact O-CG2 3.35Å; T154-V158 PolarHBondContact O-N 3.19Å; V155-V158 PolarHBondContact O-N 3.1Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.32Å; V158-E160 VanDerWaalsContact C-N 3.25Å; V158-E160 PolarHBondContact O-N 3Å; V158-T161 PolarHBondContact O-N 3.07Å; V158-S162 WeakPolarHBondContact O-CB 2.77Å; V158-S162 PolarHBondContact O-N 3.17Å; V158-S162 PolarHBondContact O-OG 2.76Å; V158-L167 HydrophobicContact CG1-CD1 4.32Å; V158-L167 HydrophobicContact CG1-CD2 4.18Å; V158-V170 HydrophobicContact CG1-CG2 3.72Å; V158-L226 HydrophobicContact CG2-CD1 3.56Å
159	L	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-31.9	-178.6	-74.3	177.4	0	0	0	113.4	V63 Y64 V155 H156 L167 V170 L193 V196	V63-L159 HydrophobicContact CB-CD2 4.25Å; V63-L159 WeakPolarHBondContact CB-O 3.22Å; V63-L159 HydrophobicContact CG1-CD2 4.22Å; V63-L159 HydrophobicContact CG2-CD2 4.38Å; V63-L159 PolarHBondContact N-O 3.08Å; V63-L159 VanDerWaalsContact N-O 3.1Å; Y64-L159 HydrophobicContact CD2-CB 3.96Å; Y64-L159 HydrophobicContact CD2-CD1 4.1Å; Y64-L159 HydrophobicContact CD2-CD2 4.38Å; Y64-L159 HydrophobicContact CD2-CG 4.38Å; Y64-L159 HydrophobicContact CE2-CD1 4.06Å; Y64-L159 HydrophobicContact CE2-CD2 4.38Å; Y64-L159 PolarHBondContact N-O 2.8Å; V155-L159 HydrophobicContact CG1-CD1 3.95Å; V155-L159 WeakPolarHBondContact O-CG 3.44Å; V155-L159 PolarHBondContact O-N 3.23Å; H156-L159 PolarHBondContact O-N 3.14Å; H156-L159 VanDerWaalsContact O-N 3.13Å; L159-L167 HydrophobicContact CD2-CD2 4.04Å; L159-V170 HydrophobicContact CD2-CG2 4.16Å; L159-L193 HydrophobicContact CD1-CB 4.4Å; L159-L193 HydrophobicContact CD1-CD1 4.16Å; L159-V196 HydrophobicContact CD1-CG2 3.88Å; L159-V196 HydrophobicContact CD2-CG2 4.27Å; L159-V196 HydrophobicContact CG-CG2 4.48Å
160	E	98.7	Very high	98.7	Very high	14 Å²	14	15.2 Å²	15.2	7%	0.065	7%	0.071	C	C	.	.	H	α-helix	trans	-94	-11.1	-173.9	-69.7	167.3	175.1	0	0	114.1	P62 Y64 K66 H113 H156 S157 V158	P62-E160 VanDerWaalsContact CB-C 3.46Å; P62-E160 VanDerWaalsContact CB-O 3.22Å; P62-E160 WeakPolarHBondContact CB-O 3.39Å; P62-E160 WeakPolarHBondContact CG-O 3.02Å; Y64-E160 WeakPolarHBondContact O-CA 3.45Å; K66-E160 HydrophobicContact CD-CB 4.47Å; K66-E160 HydrophobicContact CG-CB 3.77Å; K66-E160 HydrophobicContact CG-CG 4.01Å; K66-E160 WeakPolarHBondContact CG-OE2 2.99Å; K66-E160 IonicContact NZ-OE2 3.63Å; K66-E160 PolarHBondContact NZ-OE2 3.44Å; H113-E160 IonicContact CE1-OE1 3.22Å; H113-E160 IonicContact CG-OE1 3.35Å; H113-E160 IonicContact ND1-OE1 3.23Å; H113-E160 PolarHBondContact ND1-OE1 3.48Å; H113-E160 IonicContact ND1-OE2 3.38Å; H156-E160 IonicContact ND1-OE1 3.38Å; H156-E160 WeakPolarHBondContact O-CB 3.12Å; H156-E160 WeakPolarHBondContact O-CG 3.29Å; H156-E160 PolarHBondContact O-N 2.04Å; S157-E160 PolarHBondContact O-N 3.45Å; V158-E160 VanDerWaalsContact C-N 3.25Å; V158-E160 PolarHBondContact O-N 3Å
161	T	98.3	Very high	98.7	Very high	17 Å²	17	15 Å²	15	10%	0.104	7%	0.069	C	C	.	.	H	α-helix	trans	-121.3	-9.4	-179.6	62.6	0	0	0	0	113.5	S157 V158 C232 W236	S157-T161 WeakPolarHBondContact O-CB 3.31Å; S157-T161 WeakPolarHBondContact O-CG2 3.11Å; S157-T161 PolarHBondContact O-N 3.01Å; S157-T161 VanDerWaalsContact O-N 3.1Å; S157-T161 PolarHBondContact O-OG1 3.14Å; V158-T161 PolarHBondContact O-N 3.07Å; T161-C232 HydrophobicContact CG2-CB 4.49Å; T161-C232 VanDerWaalsContact OG1-CB 3.31Å; T161-C232 WeakPolarHBondContact OG1-CB 3.38Å; T161-W236 PolarHBondContact OG1-NE1 3.37Å; T161-W236 VanDerWaalsContact OG1-NE1 3.13Å
162	S	98.7	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-96.8	123.7	177.6	-52.8	0	0	0	0	110.6	P62 V63 V158 D164	P62-S162 VanDerWaalsContact CA-O 3.26Å; P62-S162 WeakPolarHBondContact CA-O 3.43Å; V63-S162 PolarHBondContact N-O 2.92Å; V158-S162 WeakPolarHBondContact O-CB 2.77Å; V158-S162 PolarHBondContact O-N 3.17Å; V158-S162 PolarHBondContact O-OG 2.76Å; S162-D164 PolarHBondContact O-N 2.68Å
163	P	98.6	Very high	98.7	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-54.5	133.2	176.5	-26.2	33.5	0	0	0	112.5	R61 Y131 I165 L166 L167 E238	R61-P163 CarbonylContact O-C 3.59Å; R61-P163 WeakPolarHBondContact O-CA 3.22Å; Y131-P163 HydrophobicContact CD1-CB 4.25Å; Y131-P163 HydrophobicContact CD1-CG 4.42Å; Y131-P163 HydrophobicContact CE1-CB 4.06Å; Y131-P163 HydrophobicContact CE1-CG 3.78Å; P163-I165 HydrophobicContact CB-CG2 4.44Å; P163-I165 PolarHBondContact O-N 2.72Å; P163-L166 HydrophobicContact CB-CB 4.43Å; P163-L166 HydrophobicContact CB-CD1 4.17Å; P163-L166 HydrophobicContact CB-CG 4.11Å; P163-L166 HydrophobicContact CG-CD1 4.08Å; P163-L166 PolarHBondContact O-N 3.4Å; P163-L167 PolarHBondContact O-N 3.37Å; P163-E238 HydrophobicContact CG-CG 4.2Å
164	D	98.4	Very high	98.7	Very high	52 Å²	52	14.9 Å²	14.9	28%	0.278	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.1	-173.3	-174.9	49.8	0	0	0	112.5	R61 V63 S162 L166 R194 K195	R61-D164 PolarHBondContact O-N 2.59Å; V63-D164 HydrophobicContact CG2-CB 4.28Å; S162-D164 PolarHBondContact O-N 2.68Å; D164-L166 VanDerWaalsContact C-N 3.28Å; D164-L166 PolarHBondContact O-N 3.08Å; D164-R194 IonicContact OD1-NH2 3.61Å; D164-R194 IonicContact OD2-NH2 3.56Å; D164-K195 PolarHBondContact O-NZ 3.41Å; D164-K195 VanDerWaalsContact OD1-CE 3.23Å; D164-K195 WeakPolarHBondContact OD1-CE 3.22Å; D164-K195 IonicContact OD1-NZ 2.71Å; D164-K195 PolarHBondContact OD1-NZ 3.3Å
165	I	98.4	Very high	98.6	Very high	63 Å²	63	15 Å²	15	32%	0.323	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.3	177.1	-167.8	179.4	0	0	0	112.8	L59 Y131 K132 P163	L59-I165 HydrophobicContact CB-CG2 4.47Å; L59-I165 HydrophobicContact CD1-CD1 4.32Å; L59-I165 HydrophobicContact CD2-CD1 3.93Å; L59-I165 WeakPolarHBondContact O-CG2 3.4Å; Y131-I165 HydrophobicContact CD1-CG2 4.16Å; Y131-I165 HydrophobicContact CG-CG2 4.46Å; K132-I165 HydrophobicContact CG-CD1 4.38Å; P163-I165 HydrophobicContact CB-CG2 4.44Å; P163-I165 PolarHBondContact O-N 2.72Å
166	L	98.8	Very high	98.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-33.8	-175.8	-56.3	-175.8	0	0	0	112.6	Y131 L134 T136 T137 P163 D164 R168 L237 E238 L241	Y131-L166 HydrophobicContact CD1-CD1 3.78Å; Y131-L166 HydrophobicContact CD1-CD2 4.39Å; Y131-L166 HydrophobicContact CD1-CG 4.08Å; Y131-L166 HydrophobicContact CE1-CD1 4.07Å; L134-L166 HydrophobicContact CB-CD2 3.62Å; L134-L166 HydrophobicContact CD1-CD1 3.93Å; L134-L166 HydrophobicContact CD1-CD2 4.25Å; T136-L166 CarbonylContact C-O 3.03Å; T136-L166 VanDerWaalsContact CA-O 3.31Å; T136-L166 WeakPolarHBondContact CA-O 3.27Å; T137-L166 PolarHBondContact N-O 2.92Å; P163-L166 HydrophobicContact CB-CB 4.43Å; P163-L166 HydrophobicContact CB-CD1 4.17Å; P163-L166 HydrophobicContact CB-CG 4.11Å; P163-L166 HydrophobicContact CG-CD1 4.08Å; P163-L166 PolarHBondContact O-N 3.4Å; D164-L166 VanDerWaalsContact C-N 3.28Å; D164-L166 PolarHBondContact O-N 3.08Å; L166-R168 PolarHBondContact O-N 3.41Å; L166-L237 HydrophobicContact CB-CD2 4.33Å; L166-E238 HydrophobicContact CD1-CG 4.01Å; L166-L241 HydrophobicContact CB-CD1 3.97Å; L166-L241 HydrophobicContact CD1-CD1 4.05Å; L166-L241 HydrophobicContact CG-CD1 4.45Å
167	L	98.8	Very high	98.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.2	179.9	-172.9	65.2	0	0	0	110.5	V63 T137 V139 V158 L159 P163 V170 K195	V63-L167 HydrophobicContact CG2-CB 4.26Å; V63-L167 HydrophobicContact CG2-CD2 3.71Å; T137-L167 HydrophobicContact CG2-CD1 4.21Å; V139-L167 HydrophobicContact CB-CD1 4.29Å; V139-L167 HydrophobicContact CG2-CD1 3.54Å; V158-L167 HydrophobicContact CG1-CD1 4.32Å; V158-L167 HydrophobicContact CG1-CD2 4.18Å; L159-L167 HydrophobicContact CD2-CD2 4.04Å; P163-L167 PolarHBondContact O-N 3.37Å; L167-V170 HydrophobicContact CD1-CG2 4.28Å; L167-V170 HydrophobicContact CD2-CG2 3.88Å; L167-K195 WeakPolarHBondContact O-CD 3.45Å; L167-K195 WeakPolarHBondContact O-CE 3.21Å; L167-K195 PolarHBondContact O-NZ 2.77Å
168	R	98.8	Very high	98.2	Very high	132 Å²	132	24.7 Å²	24.7	50%	0.498	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-51.8	175.4	179.9	59.7	-177.1	142.1	-2.1	111.2	T137 L166 T219	T137-R168 VanDerWaalsContact O-CB 3.25Å; T137-R168 WeakPolarHBondContact O-CB 3.43Å; T137-R168 PolarHBondContact O-N 2.96Å; L166-R168 PolarHBondContact O-N 3.41Å; R168-T219 WeakPolarHBondContact CG-OG1 3.34Å; R168-T219 PolarHBondContact NE-OG1 2.92Å; R168-T219 VanDerWaalsContact NE-OG1 3.14Å
169	E	98.7	Very high	98	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.047	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	155.2	-176.4	58.8	-167.7	137.8	0	0	111.5	S138 V139 V171 K195 R197 T219	S138-E169 WeakPolarHBondContact CA-O 3.36Å; S138-E169 VanDerWaalsContact OG-CG 3.32Å; S138-E169 WeakPolarHBondContact OG-CG 3.49Å; S138-E169 PolarHBondContact OG-OE1 2.93Å; V139-E169 PolarHBondContact N-O 2.78Å; E169-V171 HydrophobicContact CG-CG2 3.87Å; E169-K195 CarbonylContact C-O 3.43Å; E169-K195 VanDerWaalsContact CA-O 3.27Å; E169-K195 WeakPolarHBondContact CA-O 3.34Å; E169-R197 WeakPolarHBondContact OE2-CD 3.43Å; E169-R197 IonicContact OE2-CZ 3.63Å; E169-R197 IonicContact OE2-NE 3.5Å; E169-R197 IonicContact OE2-NH1 3.72Å; E169-R197 PolarHBondContact OE2-NH1 3.32Å; E169-T219 WeakPolarHBondContact OE1-CA 3.32Å; E169-T219 WeakPolarHBondContact OE1-CB 3.41Å; E169-T219 PolarHBondContact OE1-N 3.27Å; E169-T219 PolarHBondContact OE1-OG1 2.91Å
170	V	98.9	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.7	166.4	-176.3	0	0	0	0	107.5	V139 I141 V158 L159 L167 L172 K195 V196 R197	V139-V170 HydrophobicContact CB-CG2 4.45Å; V139-V170 CarbonylContact O-C 3.52Å; V139-V170 WeakPolarHBondContact O-CA 3.2Å; I141-V170 HydrophobicContact CD1-CG1 3.92Å; V158-V170 HydrophobicContact CG1-CG2 3.72Å; L159-V170 HydrophobicContact CD2-CG2 4.16Å; L167-V170 HydrophobicContact CD1-CG2 4.28Å; L167-V170 HydrophobicContact CD2-CG2 3.88Å; V170-L172 HydrophobicContact CG1-CD2 4.2Å; V170-K195 PolarHBondContact N-O 2.92Å; V170-V196 HydrophobicContact CB-CG2 4.4Å; V170-V196 WeakPolarHBondContact O-CA 3.46Å; V170-R197 PolarHBondContact O-N 2.82Å
171	V	98.8	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	104.5	-179.6	-176.1	0	0	0	0	108.9	V139 V140 I141 E169 V173 I199 I217	V139-V171 PolarHBondContact O-N 3.27Å; V140-V171 WeakPolarHBondContact CA-O 3.4Å; V140-V171 HydrophobicContact CG2-CB 4.41Å; I141-V171 PolarHBondContact N-O 3Å; E169-V171 HydrophobicContact CG-CG2 3.87Å; V171-V173 HydrophobicContact CG1-CG2 4.14Å; V171-I199 HydrophobicContact CG1-CD1 3.69Å; V171-I199 HydrophobicContact CG1-CG1 4.2Å; V171-I217 HydrophobicContact CG1-CD1 3.9Å; V171-I217 HydrophobicContact CG1-CG1 4.25Å; V171-I217 HydrophobicContact CG2-CD1 4.47Å
172	L	98.7	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.7	171.8	-61.6	-174.9	0	0	0	109.8	I141 F143 V155 V170 L190 V196 R197 L198 I199	I141-L172 HydrophobicContact CB-CD2 3.69Å; I141-L172 HydrophobicContact CD1-CD2 3.94Å; I141-L172 HydrophobicContact CG1-CD2 4.37Å; I141-L172 HydrophobicContact CG2-CD2 4.06Å; I141-L172 CarbonylContact O-C 3.21Å; I141-L172 WeakPolarHBondContact O-CA 3.31Å; F143-L172 HydrophobicContact CE1-CB 4.07Å; V155-L172 HydrophobicContact CG2-CD1 3.82Å; V155-L172 HydrophobicContact CG2-CD2 3.88Å; V155-L172 HydrophobicContact CG2-CG 4.37Å; V170-L172 HydrophobicContact CG1-CD2 4.2Å; L172-L190 HydrophobicContact CD1-CD1 3.52Å; L172-L190 HydrophobicContact CD1-CD2 4.02Å; L172-L190 HydrophobicContact CD1-CG 4.43Å; L172-V196 HydrophobicContact CD1-CG1 4.16Å; L172-V196 HydrophobicContact CG-CG1 4.36Å; L172-R197 PolarHBondContact N-O 3.48Å; L172-L198 HydrophobicContact CB-CD1 3.77Å; L172-I199 PolarHBondContact O-N 2.96Å
173	V	98.6	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	105.5	178.2	-170.3	0	0	0	0	109.8	V140 I141 A142 F143 V171 D175 I199 A210 L213	V140-V173 HydrophobicContact CG1-CG2 4.42Å; I141-V173 PolarHBondContact O-N 2.91Å; A142-V173 WeakPolarHBondContact CA-O 3.45Å; A142-V173 HydrophobicContact CB-CB 4.43Å; F143-V173 WeakPolarHBondContact CD1-O 2.81Å; F143-V173 PolarHBondContact N-O 2.72Å; V171-V173 HydrophobicContact CG1-CG2 4.14Å; V173-D175 PolarHBondContact O-N 3.44Å; V173-I199 WeakPolarHBondContact CA-O 3.33Å; V173-I199 HydrophobicContact CG2-CD1 4.37Å; V173-A210 HydrophobicContact CG1-CB 4.1Å; V173-L213 HydrophobicContact CG1-CB 4.36Å; V173-L213 HydrophobicContact CG1-CD2 3.94Å; V173-L213 HydrophobicContact CG1-CG 4.42Å
174	D	98.4	Very high	97.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	106.4	171.1	179.9	17	0	0	0	109.4	F143 Y176 S177 K183 I199 R200 A201	F143-D174 HydrophobicContact CE1-CB 3.95Å; F143-D174 HydrophobicContact CE2-CB 3.87Å; F143-D174 HydrophobicContact CZ-CB 3.44Å; F143-D174 VanDerWaalsContact CZ-CB 3.44Å; D174-Y176 PolarHBondContact O-N 2.81Å; D174-Y176 PolarHBondContact OD1-N 3.42Å; D174-S177 WeakPolarHBondContact OD1-CB 3.32Å; D174-S177 PolarHBondContact OD1-N 3.46Å; D174-S177 PolarHBondContact OD1-OG 2.92Å; D174-K183 IonicContact OD2-NZ 3.61Å; D174-I199 PolarHBondContact N-O 3.24Å; D174-R200 HydrophobicContact CB-CB 4.33Å; D174-R200 HydrophobicContact CB-CG 4.02Å; D174-R200 IonicContact OD2-CZ 2.8Å; D174-R200 IonicContact OD2-NH1 3.58Å; D174-R200 PolarHBondContact OD2-NH1 3.19Å; D174-A201 WeakPolarHBondContact O-CB 3.49Å; D174-A201 PolarHBondContact O-N 3.41Å
175	D	96.7	Very high	97.8	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	21%	0.211	C	C	.	.			trans	-79.5	54	176	-177.4	27.4	0	0	0	111.1	F143 Y144 V173 R204 E205 G206 A210	F143-D175 WeakPolarHBondContact O-CB 3.42Å; F143-D175 PolarHBondContact O-N 3.36Å; Y144-D175 WeakPolarHBondContact CD2-O 3.43Å; V173-D175 PolarHBondContact O-N 3.44Å; D175-R204 WeakPolarHBondContact O-CD 3.24Å; D175-R204 IonicContact OD1-NE 3.01Å; D175-R204 WeakPolarHBondContact OD2-CD 3.45Å; D175-R204 IonicContact OD2-CZ 2.69Å; D175-R204 IonicContact OD2-NE 3.79Å; D175-R204 PolarHBondContact OD2-NE 3.27Å; D175-R204 IonicContact OD2-NH2 3.9Å; D175-E205 WeakPolarHBondContact OD1-CA 3.17Å; D175-E205 WeakPolarHBondContact OD1-CB 3.47Å; D175-E205 PolarHBondContact OD1-N 2.99Å; D175-G206 PolarHBondContact OD1-N 3.11Å; D175-G206 WeakPolarHBondContact OD2-CA 3.45Å; D175-G206 PolarHBondContact OD2-N 2.7Å; D175-A210 HydrophobicContact CB-CB 3.9Å
176	Y	96.6	Very high	97.8	Very high	129 Å²	129	42.3 Å²	42.3	51%	0.506	20%	0.196	S	C	.	.	S	Bend	trans	62.5	46.4	176.1	-155.7	-107.4	0	0	0	114.1	Y144 D174 T202 K203 R204	Y144-Y176 WeakPolarHBondContact CE2-O 3.4Å; D174-Y176 PolarHBondContact O-N 2.81Å; D174-Y176 PolarHBondContact OD1-N 3.42Å; Y176-T202 WeakPolarHBondContact CE2-O 3.27Å; Y176-K203 VanDerWaalsContact CB-C 3.48Å; Y176-K203 WeakPolarHBondContact CB-O 3.36Å; Y176-R204 HydrophobicContact CD1-CB 4.44Å
177	S	96.8	Very high	97.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	22%	0.216	C	C	.	.			trans	-60.5	150.3	176.3	-56.4	0	0	0	0	112.2	Y144 N145 D174 K183	Y144-S177 WeakPolarHBondContact CA-OG 3.49Å; N145-S177 PolarHBondContact N-OG 2.9Å; N145-S177 VanDerWaalsContact OD1-CA 3.25Å; N145-S177 WeakPolarHBondContact OD1-CA 3.45Å; N145-S177 WeakPolarHBondContact OD1-CB 3.43Å; D174-S177 WeakPolarHBondContact OD1-CB 3.32Å; D174-S177 PolarHBondContact OD1-N 3.46Å; D174-S177 PolarHBondContact OD1-OG 2.92Å; S177-K183 WeakPolarHBondContact O-CE 3.29Å; S177-K183 PolarHBondContact O-NZ 2.93Å
178	D	95.4	Very high	97.7	Very high	90 Å²	90	53.7 Å²	53.7	48%	0.481	24%	0.242	S	C	.	.			trans	-107.1	-3.6	179.4	60.2	33.3	0	0	0	113.6	N145	N145-D178 VanDerWaalsContact CG-OD1 3.31Å; N145-D178 VanDerWaalsContact ND2-CG 3.25Å; N145-D178 PolarHBondContact ND2-OD1 3.2Å; N145-D178 PolarHBondContact ND2-OD2 3.36Å; N145-D178 PolarHBondContact OD1-N 3.19Å; N145-D178 PolarHBondContact OD1-OD1 2.89Å; N145-D178 VanDerWaalsContact OD1-OD1 3.08Å
179	R	94.9	Very high	97.7	Very high	77 Å²	77	51.2 Å²	51.2	29%	0.291	23%	0.234	S	C	.	.			trans	-80.5	129.4	-178	-51.5	-58.8	-172.3	-167.9	-2.3	111.9	N145 H181 L182	N145-R179 HydrophobicContact CB-CG 4.1Å; R179-H181 VanDerWaalsContact C-N 3.27Å; R179-H181 WeakPolarHBondContact CB-CE1 3.46Å; R179-H181 PolarHBondContact O-N 2.88Å; R179-L182 HydrophobicContact CB-CD1 4.04Å; R179-L182 HydrophobicContact CB-CG 4.2Å; R179-L182 HydrophobicContact CG-CD1 4.3Å; R179-L182 WeakPolarHBondContact O-CB 3.09Å; R179-L182 PolarHBondContact O-N 3.36Å
180	D	97.3	Very high	97.6	Very high	138 Å²	138	51.2 Å²	51.2	74%	0.738	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-56.2	-38.9	-178.5	-63.7	-33.3	0	0	0	113.2	L182 K183 P185	D180-L182 PolarHBondContact O-N 3.43Å; D180-L182 VanDerWaalsContact O-N 3.15Å; D180-K183 PolarHBondContact O-N 3.28Å; D180-K183 VanDerWaalsContact O-N 3.09Å; D180-P185 WeakPolarHBondContact O-CD 3.13Å
181	H	96.8	Very high	97.5	Very high	54 Å²	54	56 Å²	56	25%	0.25	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.9	-21.4	178.5	67.3	-92.7	0	0	0	113.3	E146 W148 R179 L186	E146-H181 PolarHBondContact O-NE2 3.08Å; W148-H181 HydrophobicContact CE3-CB 4.2Å; W148-H181 WeakPolarHBondContact CZ3-O 3.15Å; R179-H181 VanDerWaalsContact C-N 3.27Å; R179-H181 WeakPolarHBondContact CB-CE1 3.46Å; R179-H181 PolarHBondContact O-N 2.88Å; H181-L186 PolarHBondContact O-N 2.88Å
182	L	97.9	Very high	97.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-89.4	-1.5	179.4	-61.1	175.1	0	0	0	113.2	F143 L151 R179 D180 L186 R200	F143-L182 HydrophobicContact CD2-CD1 4.23Å; F143-L182 HydrophobicContact CD2-CD2 4.43Å; F143-L182 HydrophobicContact CE2-CB 4.29Å; F143-L182 HydrophobicContact CE2-CD1 4.1Å; F143-L182 HydrophobicContact CE2-CD2 4.03Å; F143-L182 HydrophobicContact CE2-CG 4.36Å; L151-L182 HydrophobicContact CD2-CD2 3.73Å; R179-L182 HydrophobicContact CB-CD1 4.04Å; R179-L182 HydrophobicContact CB-CG 4.2Å; R179-L182 HydrophobicContact CG-CD1 4.3Å; R179-L182 WeakPolarHBondContact O-CB 3.09Å; R179-L182 PolarHBondContact O-N 3.36Å; D180-L182 PolarHBondContact O-N 3.43Å; D180-L182 VanDerWaalsContact O-N 3.15Å; L182-L186 HydrophobicContact CB-CD2 4.49Å; L182-L186 HydrophobicContact CD2-CD2 4.14Å; L182-R200 PolarHBondContact O-NH1 3.12Å; L182-R200 PolarHBondContact O-NH2 2.75Å
183	K	97.6	Very high	97.3	Very high	72 Å²	72	60.3 Å²	60.3	31%	0.313	31%	0.305	S	S	.	.	S	Bend	trans	-90.8	-124.9	-179.7	-57.8	-56.9	-179	-175	0	111.1	D174 S177 D180 P185 L186 E187 R200	D174-K183 IonicContact OD2-NZ 3.61Å; S177-K183 WeakPolarHBondContact O-CE 3.29Å; S177-K183 PolarHBondContact O-NZ 2.93Å; D180-K183 PolarHBondContact O-N 3.28Å; D180-K183 VanDerWaalsContact O-N 3.09Å; K183-P185 VanDerWaalsContact C-N 3.33Å; K183-L186 PolarHBondContact O-N 3.1Å; K183-E187 PolarHBondContact O-N 2.69Å; K183-R200 PolarHBondContact O-NH2 2.86Å
184	E	97.9	Very high	97.3	Very high	121 Å²	121	67 Å²	67	57%	0.565	33%	0.33	S	S	*	.	H	α-helix	trans	-54.2	-38.6	179.1	-166.9	-170.9	167.7	0	0	113.9	L186 E187 R188	E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.36Å; E184-E187 PolarHBondContact O-N 3.36Å; E184-R188 PolarHBondContact O-N 3.25Å; E184-R188 IonicContact OE1-CZ 3.66Å; E184-R188 IonicContact OE1-NH2 3.62Å; E184-R188 PolarHBondContact OE1-NH2 3.35Å
185	P	98.4	Very high	97.3	Very high	55 Å²	55	69.7 Å²	69.7	36%	0.357	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-40.8	177.6	-25.2	36.1	0	0	0	113	W148 D180 K183 Y189	W148-P185 HydrophobicContact CH2-CB 4.45Å; W148-P185 HydrophobicContact CZ3-CB 4.37Å; D180-P185 WeakPolarHBondContact O-CD 3.13Å; K183-P185 VanDerWaalsContact C-N 3.33Å; P185-Y189 WeakPolarHBondContact O-CB 3.37Å; P185-Y189 PolarHBondContact O-N 2.96Å
186	L	98.5	Very high	97.4	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-45.5	177.6	-176.8	63.2	0	0	0	111.3	F143 W148 L151 L152 H181 L182 K183 E184 R188 Y189 L190 L198	F143-L186 HydrophobicContact CE1-CD2 4.48Å; F143-L186 HydrophobicContact CE2-CD2 4.12Å; F143-L186 HydrophobicContact CZ-CD2 3.63Å; W148-L186 HydrophobicContact CZ3-CB 3.97Å; W148-L186 HydrophobicContact CZ3-CD1 3.97Å; L151-L186 HydrophobicContact CD2-CD1 4.1Å; L151-L186 HydrophobicContact CD2-CD2 3.98Å; L152-L186 HydrophobicContact CD2-CD1 4Å; H181-L186 PolarHBondContact O-N 2.88Å; L182-L186 HydrophobicContact CB-CD2 4.49Å; L182-L186 HydrophobicContact CD2-CD2 4.14Å; K183-L186 PolarHBondContact O-N 3.1Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.36Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.33Å; L186-Y189 PolarHBondContact O-N 2.87Å; L186-L190 HydrophobicContact CD1-CD1 3.8Å; L186-L190 HydrophobicContact CD1-CD2 4.31Å; L186-L190 HydrophobicContact CD1-CG 3.94Å; L186-L190 HydrophobicContact CD2-CD1 4.38Å; L186-L190 HydrophobicContact CG-CD1 3.7Å; L186-L190 HydrophobicContact CG-CG 4.23Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 3.47Å; L186-L198 HydrophobicContact CD2-CD1 4.45Å; L186-L198 HydrophobicContact CD2-CD2 4.33Å; L186-L198 HydrophobicContact CG-CD2 4.46Å
187	E	97.5	Very high	97.4	Very high	93 Å²	93	69.6 Å²	69.6	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-56.8	-47.1	176.5	-81	167.6	-151.2	0	0	112	K183 E184 Y189 L190 S191 L198 R200	K183-E187 PolarHBondContact O-N 2.69Å; E184-E187 PolarHBondContact O-N 3.36Å; E187-Y189 VanDerWaalsContact C-N 3.34Å; E187-Y189 PolarHBondContact O-N 2.84Å; E187-L190 PolarHBondContact O-N 3.44Å; E187-S191 WeakPolarHBondContact O-CB 3.42Å; E187-S191 PolarHBondContact O-N 3.5Å; E187-L198 HydrophobicContact CG-CD2 3.66Å; E187-R200 IonicContact OE1-CZ 3.01Å; E187-R200 IonicContact OE1-NE 2.68Å; E187-R200 PolarHBondContact OE1-NE 2.8Å; E187-R200 IonicContact OE1-NH2 3.98Å; E187-R200 PolarHBondContact OE1-NH2 3.16Å
188	R	98.3	Very high	97.5	Very high	148 Å²	148	71.7 Å²	71.7	56%	0.558	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-45.3	178.3	-172.1	-179.3	-66.2	111.7	1	111.3	E184 L186 S191	E184-R188 PolarHBondContact O-N 3.25Å; E184-R188 IonicContact OE1-CZ 3.66Å; E184-R188 IonicContact OE1-NH2 3.62Å; E184-R188 PolarHBondContact OE1-NH2 3.35Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.33Å; R188-S191 PolarHBondContact O-N 2.8Å; R188-S191 PolarHBondContact O-OG 2.89Å
189	Y	98.3	Very high	97.6	Very high	79 Å²	79	69 Å²	69	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-47.7	178.9	-172.1	-86.5	0	0	0	112	W148 L152 H156 P185 L186 E187 S191 L193	W148-Y189 HydrophobicContact CH2-CD2 4.39Å; W148-Y189 HydrophobicContact CH2-CG 4.15Å; W148-Y189 AromaticContact CZ2-CD2 3.9Å; W148-Y189 HydrophobicContact CZ2-CD2 3.9Å; W148-Y189 HydrophobicContact CZ2-CG 4.05Å; L152-Y189 HydrophobicContact CD1-CD1 3.84Å; L152-Y189 HydrophobicContact CD1-CD2 4.28Å; L152-Y189 HydrophobicContact CD1-CE1 3.6Å; L152-Y189 HydrophobicContact CD1-CE2 4.05Å; L152-Y189 HydrophobicContact CD1-CG 4.18Å; L152-Y189 HydrophobicContact CD2-CD1 3.61Å; L152-Y189 HydrophobicContact CD2-CE1 3.66Å; L152-Y189 HydrophobicContact CG-CD1 4.39Å; L152-Y189 HydrophobicContact CG-CE1 4.19Å; H156-Y189 AromaticContact NE2-CE1 3.65Å; H156-Y189 AromaticContact NE2-CZ 3.66Å; H156-Y189 PolarHBondContact NE2-OH 2.92Å; P185-Y189 WeakPolarHBondContact O-CB 3.37Å; P185-Y189 PolarHBondContact O-N 2.96Å; L186-Y189 PolarHBondContact O-N 2.87Å; E187-Y189 VanDerWaalsContact C-N 3.34Å; E187-Y189 PolarHBondContact O-N 2.84Å; Y189-S191 VanDerWaalsContact C-N 3.31Å; Y189-S191 PolarHBondContact O-N 2.91Å; Y189-L193 HydrophobicContact CE1-CD1 4.25Å
190	L	98.1	Very high	97.7	Very high	11 Å²	11	68.5 Å²	68.5	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-72.7	-23	-176	-61.1	173.3	0	0	0	113.2	L152 V155 L172 L186 E187 G192 L193 V196 L198	L152-L190 HydrophobicContact CD2-CD2 4.12Å; V155-L190 HydrophobicContact CG1-CD2 4.48Å; L172-L190 HydrophobicContact CD1-CD1 3.52Å; L172-L190 HydrophobicContact CD1-CD2 4.02Å; L172-L190 HydrophobicContact CD1-CG 4.43Å; L186-L190 HydrophobicContact CD1-CD1 3.8Å; L186-L190 HydrophobicContact CD1-CD2 4.31Å; L186-L190 HydrophobicContact CD1-CG 3.94Å; L186-L190 HydrophobicContact CD2-CD1 4.38Å; L186-L190 HydrophobicContact CG-CD1 3.7Å; L186-L190 HydrophobicContact CG-CG 4.23Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 3.47Å; E187-L190 PolarHBondContact O-N 3.44Å; L190-G192 PolarHBondContact O-N 3.35Å; L190-G192 VanDerWaalsContact O-N 3.11Å; L190-L193 HydrophobicContact CD2-CD1 3.99Å; L190-L193 PolarHBondContact O-N 3.24Å; L190-V196 HydrophobicContact CB-CG1 4.41Å; L190-V196 HydrophobicContact CD1-CG1 4.48Å; L190-V196 HydrophobicContact CD2-CG1 4.12Å; L190-L198 HydrophobicContact CD1-CB 4.16Å; L190-L198 HydrophobicContact CD1-CD2 4.21Å
191	S	96.5	Very high	97.7	Very high	100 Å²	100	62.4 Å²	62.4	70%	0.699	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.1	-179.8	72.1	0	0	0	0	114.1	E187 R188 Y189	E187-S191 WeakPolarHBondContact O-CB 3.42Å; E187-S191 PolarHBondContact O-N 3.5Å; R188-S191 PolarHBondContact O-N 2.8Å; R188-S191 PolarHBondContact O-OG 2.89Å; Y189-S191 VanDerWaalsContact C-N 3.31Å; Y189-S191 PolarHBondContact O-N 2.91Å
192	G	95.2	Very high	97.6	Very high	60 Å²	60	65.9 Å²	65.9	62%	0.619	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.1	176.2	0	0	0	0	0	114.9	L190	L190-G192 PolarHBondContact O-N 3.35Å; L190-G192 VanDerWaalsContact O-N 3.11Å
193	L	97.9	Very high	97.4	Very high	31 Å²	31	71.7 Å²	71.7	16%	0.162	36%	0.355	C	S	.	.	S	Bend	trans	-97.3	124.4	-174.8	-58.2	-178.7	0	0	0	111.5	V155 L159 Y189 L190 V196	V155-L193 HydrophobicContact CG1-CD1 4.01Å; L159-L193 HydrophobicContact CD1-CB 4.4Å; L159-L193 HydrophobicContact CD1-CD1 4.16Å; Y189-L193 HydrophobicContact CE1-CD1 4.25Å; L190-L193 HydrophobicContact CD2-CD1 3.99Å; L190-L193 PolarHBondContact O-N 3.24Å; L193-V196 HydrophobicContact CB-CB 4.14Å; L193-V196 HydrophobicContact CB-CG2 3.67Å; L193-V196 HydrophobicContact CD1-CG2 4.26Å
194	R	97.9	Very high	97.1	Very high	139 Å²	139	72.3 Å²	72.3	53%	0.525	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	145.7	171.6	-73.9	172.7	52.5	-178.1	-9.7	109.6	V63 Y64 D164 V196	V63-R194 HydrophobicContact CG1-CB 4.46Å; Y64-R194 HydrophobicContact CE2-CB 4.16Å; Y64-R194 WeakPolarHBondContact OH-CB 3.28Å; Y64-R194 PolarHBondContact OH-N 2.95Å; D164-R194 IonicContact OD1-NH2 3.61Å; D164-R194 IonicContact OD2-NH2 3.56Å; R194-V196 PolarHBondContact O-N 3.39Å; R194-V196 VanDerWaalsContact O-N 3.11Å
195	K	98.3	Very high	96.8	Very high	59 Å²	59	68.4 Å²	68.4	26%	0.257	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	10.2	174.4	-58.9	-172.6	164.5	-176.6	0	114.7	V63 D164 L167 E169 V170	V63-K195 HydrophobicContact CG1-CD 4.25Å; V63-K195 HydrophobicContact CG2-CD 4.18Å; D164-K195 PolarHBondContact O-NZ 3.41Å; D164-K195 VanDerWaalsContact OD1-CE 3.23Å; D164-K195 WeakPolarHBondContact OD1-CE 3.22Å; D164-K195 IonicContact OD1-NZ 2.71Å; D164-K195 PolarHBondContact OD1-NZ 3.3Å; L167-K195 WeakPolarHBondContact O-CD 3.45Å; L167-K195 WeakPolarHBondContact O-CE 3.21Å; L167-K195 PolarHBondContact O-NZ 2.77Å; E169-K195 CarbonylContact C-O 3.43Å; E169-K195 VanDerWaalsContact CA-O 3.27Å; E169-K195 WeakPolarHBondContact CA-O 3.34Å; V170-K195 PolarHBondContact N-O 2.92Å
196	V	98.6	Very high	96.2	Very high	21 Å²	21	65.8 Å²	65.8	13%	0.127	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.2	175.1	-175.2	0	0	0	0	110.3	V155 L159 V170 L172 L190 L193 R194	V155-V196 HydrophobicContact CG1-CG2 4.15Å; L159-V196 HydrophobicContact CD1-CG2 3.88Å; L159-V196 HydrophobicContact CD2-CG2 4.27Å; L159-V196 HydrophobicContact CG-CG2 4.48Å; V170-V196 HydrophobicContact CB-CG2 4.4Å; V170-V196 WeakPolarHBondContact O-CA 3.46Å; L172-V196 HydrophobicContact CD1-CG1 4.16Å; L172-V196 HydrophobicContact CG-CG1 4.36Å; L190-V196 HydrophobicContact CB-CG1 4.41Å; L190-V196 HydrophobicContact CD1-CG1 4.48Å; L190-V196 HydrophobicContact CD2-CG1 4.12Å; L193-V196 HydrophobicContact CB-CB 4.14Å; L193-V196 HydrophobicContact CB-CG2 3.67Å; L193-V196 HydrophobicContact CD1-CG2 4.26Å; R194-V196 PolarHBondContact O-N 3.39Å; R194-V196 VanDerWaalsContact O-N 3.11Å
197	R	98	Very high	95.7	Very high	110 Å²	110	67.2 Å²	67.2	42%	0.415	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.4	174.1	-66	172.5	71.2	-169.7	-0.9	109.1	E169 V170 L172	E169-R197 WeakPolarHBondContact OE2-CD 3.43Å; E169-R197 IonicContact OE2-CZ 3.63Å; E169-R197 IonicContact OE2-NE 3.5Å; E169-R197 IonicContact OE2-NH1 3.72Å; E169-R197 PolarHBondContact OE2-NH1 3.32Å; V170-R197 PolarHBondContact O-N 2.82Å; L172-R197 PolarHBondContact N-O 3.48Å
198	L	98.3	Very high	95.3	Very high	48 Å²	48	63 Å²	63	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.8	173.2	180	63.9	0	0	0	110	F143 L172 L186 E187 L190	F143-L198 HydrophobicContact CE1-CD1 3.82Å; F143-L198 HydrophobicContact CZ-CD1 3.92Å; L172-L198 HydrophobicContact CB-CD1 3.77Å; L186-L198 HydrophobicContact CD2-CD1 4.45Å; L186-L198 HydrophobicContact CD2-CD2 4.33Å; L186-L198 HydrophobicContact CG-CD2 4.46Å; E187-L198 HydrophobicContact CG-CD2 3.66Å; L190-L198 HydrophobicContact CD1-CB 4.16Å; L190-L198 HydrophobicContact CD1-CD2 4.21Å
199	I	97.4	Very high	95	Very high	34 Å²	34	59 Å²	59	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.1	170.1	-45.2	173.7	0	0	0	108.7	V171 L172 V173 D174 L213 I217	V171-I199 HydrophobicContact CG1-CD1 3.69Å; V171-I199 HydrophobicContact CG1-CG1 4.2Å; L172-I199 PolarHBondContact O-N 2.96Å; V173-I199 WeakPolarHBondContact CA-O 3.33Å; V173-I199 HydrophobicContact CG2-CD1 4.37Å; D174-I199 PolarHBondContact N-O 3.24Å; I199-L213 HydrophobicContact CG2-CD2 3.89Å; I199-L213 HydrophobicContact CG2-CG 4.23Å; I199-I217 HydrophobicContact CD1-CD1 3.16Å; I199-I217 HydrophobicContact CD1-CG1 3.42Å; I199-I217 VanDerWaalsContact CD1-CG1 3.42Å; I199-I217 HydrophobicContact CG1-CD1 3.91Å
200	R	97.8	Very high	94.8	Very high	65 Å²	65	55.3 Å²	55.3	25%	0.245	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.1	174.9	-54.6	-169.9	179.1	-83.4	4.2	110.8	D174 L182 K183 E187	D174-R200 HydrophobicContact CB-CB 4.33Å; D174-R200 HydrophobicContact CB-CG 4.02Å; D174-R200 IonicContact OD2-CZ 2.8Å; D174-R200 IonicContact OD2-NH1 3.58Å; D174-R200 PolarHBondContact OD2-NH1 3.19Å; L182-R200 PolarHBondContact O-NH1 3.12Å; L182-R200 PolarHBondContact O-NH2 2.75Å; K183-R200 PolarHBondContact O-NH2 2.86Å; E187-R200 IonicContact OE1-CZ 3.01Å; E187-R200 IonicContact OE1-NE 2.68Å; E187-R200 PolarHBondContact OE1-NE 2.8Å; E187-R200 IonicContact OE1-NH2 3.98Å; E187-R200 PolarHBondContact OE1-NH2 3.16Å
201	A	96.2	Very high	94.6	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	28%	0.277	C	S	.	.			trans	-69	148.3	168.2	0	0	0	0	0	110.1	D174 K203 E205	D174-A201 WeakPolarHBondContact O-CB 3.49Å; D174-A201 PolarHBondContact O-N 3.41Å; A201-K203 WeakPolarHBondContact CB-O 3.43Å; A201-E205 HydrophobicContact CB-CG 4Å
202	T	94.6	Very high	94.5	Very high	126 Å²	126	51.3 Å²	51.3	77%	0.773	25%	0.25	S	S	*	.	S	Bend	trans	-86.5	-10.3	179.2	56.1	0	0	0	0	113.2	Y176	Y176-T202 WeakPolarHBondContact CE2-O 3.27Å
203	K	93.8	Very high	94.6	Very high	122 Å²	122	51.3 Å²	51.3	53%	0.53	24%	0.235	S	C	.	.	S	Bend	trans	-152.1	168.5	176.6	63.8	178.5	-178.8	178.4	0	108.8	Y176 A201 E205	Y176-K203 VanDerWaalsContact CB-C 3.48Å; Y176-K203 WeakPolarHBondContact CB-O 3.36Å; A201-K203 WeakPolarHBondContact CB-O 3.43Å; K203-E205 WeakPolarHBondContact CE-OE1 3.2Å; K203-E205 HydrophobicContact CG-CG 4.48Å; K203-E205 WeakPolarHBondContact CG-OE1 3.29Å; K203-E205 PolarHBondContact O-N 2.94Å; K203-E205 VanDerWaalsContact O-N 3.13Å
204	R	92	Very high	94.5	Very high	85 Å²	85	49.8 Å²	49.8	32%	0.321	23%	0.228	S	C	.	.			trans	-68.4	111.2	174	-174.8	60.8	-171.3	-94.1	14.9	110.5	Y144 D175 Y176	Y144-R204 VanDerWaalsContact CD1-CZ 3.47Å; Y144-R204 VanDerWaalsContact CD2-CZ 3.41Å; Y144-R204 VanDerWaalsContact CD2-NH1 3.3Å; Y144-R204 VanDerWaalsContact CG-NH1 3.35Å; Y144-R204 PolarHBondContact OH-NH1 3.48Å; D175-R204 WeakPolarHBondContact O-CD 3.24Å; D175-R204 IonicContact OD1-NE 3.01Å; D175-R204 WeakPolarHBondContact OD2-CD 3.45Å; D175-R204 IonicContact OD2-CZ 2.69Å; D175-R204 IonicContact OD2-NE 3.79Å; D175-R204 PolarHBondContact OD2-NE 3.27Å; D175-R204 IonicContact OD2-NH2 3.9Å; Y176-R204 HydrophobicContact CD1-CB 4.44Å
205	E	90.4	Very high	94.5	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.182	20%	0.204	C	C	.	.			trans	-94.7	-37.1	-176.7	-70.6	-62.8	172	0	0	111.9	D175 A201 K203 R209	D175-E205 WeakPolarHBondContact OD1-CA 3.17Å; D175-E205 WeakPolarHBondContact OD1-CB 3.47Å; D175-E205 PolarHBondContact OD1-N 2.99Å; A201-E205 HydrophobicContact CB-CG 4Å; K203-E205 WeakPolarHBondContact CE-OE1 3.2Å; K203-E205 HydrophobicContact CG-CG 4.48Å; K203-E205 WeakPolarHBondContact CG-OE1 3.29Å; K203-E205 PolarHBondContact O-N 2.94Å; K203-E205 VanDerWaalsContact O-N 3.13Å; E205-R209 HydrophobicContact CB-CB 3.75Å; E205-R209 HydrophobicContact CG-CB 4.46Å; E205-R209 PolarHBondContact O-NE 2.9Å; E205-R209 PolarHBondContact O-NH2 3.34Å; E205-R209 WeakPolarHBondContact OE2-CD 3.47Å; E205-R209 IonicContact OE2-NE 3.79Å; E205-R209 PolarHBondContact OE2-NE 3.04Å
206	G	87.5	Confident	94.4	Very high	1 Å²	1	44 Å²	44	1%	0.01	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	90.1	161.5	-170.4	0	0	0	0	0	112.1	D175 V208 R209 A210	D175-G206 PolarHBondContact OD1-N 3.11Å; D175-G206 WeakPolarHBondContact OD2-CA 3.45Å; D175-G206 PolarHBondContact OD2-N 2.7Å; G206-V208 VanDerWaalsContact C-N 3.32Å; G206-V208 PolarHBondContact O-N 2.83Å; G206-R209 PolarHBondContact O-N 2.76Å; G206-A210 WeakPolarHBondContact O-CB 3.22Å; G206-A210 PolarHBondContact O-N 3.48Å
207	L	87.1	Confident	94.3	Very high	29 Å²	29	45.4 Å²	45.4	15%	0.152	22%	0.222	C	C	.	.	H	α-helix	trans	-52.9	-47.1	-168.1	179.3	66.1	0	0	0	112.8	A142 R211 V333	A142-L207 HydrophobicContact CB-CD1 4.21Å; L207-R211 HydrophobicContact CD1-CG 4.38Å; L207-R211 WeakPolarHBondContact O-CB 3.4Å; L207-R211 WeakPolarHBondContact O-CG 3.33Å; L207-R211 PolarHBondContact O-N 3.03Å; L207-V333 WeakPolarHBondContact CB-O 3.47Å; L207-V333 PolarHBondContact N-O 2.68Å
208	V	88.3	Confident	94.3	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-54.3	-177.9	171.7	0	0	0	0	111.3	G206 R211 L212 Y327 M331 E337	G206-V208 VanDerWaalsContact C-N 3.32Å; G206-V208 PolarHBondContact O-N 2.83Å; V208-R211 PolarHBondContact O-N 3.46Å; V208-L212 HydrophobicContact CG1-CD1 4.37Å; V208-L212 WeakPolarHBondContact O-CG 3.45Å; V208-L212 PolarHBondContact O-N 2.8Å; V208-Y327 VanDerWaalsContact CG1-CB 3.4Å; V208-Y327 HydrophobicContact CG1-CD1 4.48Å; V208-Y327 HydrophobicContact CG1-CD2 4.31Å; V208-Y327 HydrophobicContact CG1-CG 3.86Å; V208-M331 HydrophobicContact CG2-CB 4.36Å; V208-E337 HydrophobicContact CG2-CB 3.7Å; V208-E337 HydrophobicContact CG2-CG 3.8Å
209	R	91.9	Very high	94.3	Very high	66 Å²	66	41.4 Å²	41.4	25%	0.249	21%	0.212	C	C	.	.	H	α-helix	trans	-70.7	-34	-176.5	-75.3	-170.2	-67.3	-99	0.4	112	E205 G206 L212 L213 T329 M331	E205-R209 HydrophobicContact CB-CB 3.75Å; E205-R209 HydrophobicContact CG-CB 4.46Å; E205-R209 PolarHBondContact O-NE 2.9Å; E205-R209 PolarHBondContact O-NH2 3.34Å; E205-R209 WeakPolarHBondContact OE2-CD 3.47Å; E205-R209 IonicContact OE2-NE 3.79Å; E205-R209 PolarHBondContact OE2-NE 3.04Å; G206-R209 PolarHBondContact O-N 2.76Å; R209-L212 PolarHBondContact O-N 3.46Å; R209-L213 PolarHBondContact O-N 3.43Å; R209-T329 PolarHBondContact NH1-O 3.09Å; R209-M331 PolarHBondContact NH1-O 3Å
210	A	94.5	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-43.9	171.3	0	0	0	0	0	112.1	A142 V173 D175 G206 L212 L213 G214	A142-A210 HydrophobicContact CB-CB 3.83Å; V173-A210 HydrophobicContact CG1-CB 4.1Å; D175-A210 HydrophobicContact CB-CB 3.9Å; G206-A210 WeakPolarHBondContact O-CB 3.22Å; G206-A210 PolarHBondContact O-N 3.48Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 3.06Å; A210-L213 WeakPolarHBondContact O-CB 3.39Å; A210-L213 PolarHBondContact O-N 2.75Å; A210-G214 PolarHBondContact O-N 2.96Å; A210-G214 VanDerWaalsContact O-N 3.16Å
211	R	94.9	Very high	94.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-39.8	173.4	-76.9	-180	178.2	171.4	1.6	112.3	A142 L207 V208 G214 A215 F225 D227 G311 G312	A142-R211 HydrophobicContact CB-CG 4.14Å; L207-R211 HydrophobicContact CD1-CG 4.38Å; L207-R211 WeakPolarHBondContact O-CB 3.4Å; L207-R211 WeakPolarHBondContact O-CG 3.33Å; L207-R211 PolarHBondContact O-N 3.03Å; V208-R211 PolarHBondContact O-N 3.46Å; R211-G214 PolarHBondContact O-N 3.12Å; R211-A215 WeakPolarHBondContact O-CB 3.46Å; R211-A215 PolarHBondContact O-N 3.07Å; R211-F225 HydrophobicContact CB-CD1 4.07Å; R211-F225 HydrophobicContact CB-CE1 3.79Å; R211-F225 HydrophobicContact CG-CD1 3.88Å; R211-F225 HydrophobicContact CG-CE1 4.13Å; R211-D227 IonicContact NH2-OD1 3.99Å; R211-D227 PolarHBondContact NH2-OD1 2.99Å; R211-G311 PolarHBondContact NH1-O 3.18Å; R211-G312 VanDerWaalsContact NH2-CA 3.35Å; R211-G312 PolarHBondContact NH2-O 3.13Å
212	L	94.6	Very high	94.5	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.131	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-38.1	176.1	-68.5	177.5	0	0	0	112.5	V208 R209 A210 A215 S216 F321 T326 Y327 T329	V208-L212 HydrophobicContact CG1-CD1 4.37Å; V208-L212 WeakPolarHBondContact O-CG 3.45Å; V208-L212 PolarHBondContact O-N 2.8Å; R209-L212 PolarHBondContact O-N 3.46Å; A210-L212 VanDerWaalsContact C-N 3.32Å; A210-L212 PolarHBondContact O-N 3.06Å; L212-A215 PolarHBondContact O-N 3.13Å; L212-S216 WeakPolarHBondContact O-CB 3.24Å; L212-S216 PolarHBondContact O-N 3.47Å; L212-F321 HydrophobicContact CD2-CE1 3.97Å; L212-F321 HydrophobicContact CD2-CZ 3.98Å; L212-T326 HydrophobicContact CD2-CG2 4.32Å; L212-Y327 HydrophobicContact CD2-CD2 4.04Å; L212-Y327 HydrophobicContact CG-CD2 4.39Å; L212-T329 HydrophobicContact CD1-CG2 3.6Å
213	L	96.1	Very high	94.7	Very high	59 Å²	59	34.8 Å²	34.8	31%	0.309	18%	0.176	S	C	.	.	H	α-helix	trans	-58.8	-48.9	174.3	-177.6	60.8	0	0	0	110.7	V173 I199 R209 A210 S216	V173-L213 HydrophobicContact CG1-CB 4.36Å; V173-L213 HydrophobicContact CG1-CD2 3.94Å; V173-L213 HydrophobicContact CG1-CG 4.42Å; I199-L213 HydrophobicContact CG2-CD2 3.89Å; I199-L213 HydrophobicContact CG2-CG 4.23Å; R209-L213 PolarHBondContact O-N 3.43Å; A210-L213 WeakPolarHBondContact O-CB 3.39Å; A210-L213 PolarHBondContact O-N 2.75Å; L213-S216 PolarHBondContact O-N 2.82Å; L213-S216 PolarHBondContact O-OG 3.31Å
214	G	96.9	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-44.8	175.1	0	0	0	0	0	113.1	A210 R211 S216 I217 A218	A210-G214 PolarHBondContact O-N 2.96Å; A210-G214 VanDerWaalsContact O-N 3.16Å; R211-G214 PolarHBondContact O-N 3.12Å; G214-S216 VanDerWaalsContact C-N 3.3Å; G214-S216 PolarHBondContact O-N 3.13Å; G214-I217 WeakPolarHBondContact O-CG1 3.41Å; G214-I217 PolarHBondContact O-N 2.82Å; G214-A218 WeakPolarHBondContact O-CB 3.46Å; G214-A218 PolarHBondContact O-N 2.63Å; G214-A218 VanDerWaalsContact O-N 3.13Å
215	A	96.7	Very high	95.2	Very high	2 Å²	2	25 Å²	25	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-34.7	178.4	0	0	0	0	0	113.2	R211 L212 I217 L223 F225 F321	R211-A215 WeakPolarHBondContact O-CB 3.46Å; R211-A215 PolarHBondContact O-N 3.07Å; L212-A215 PolarHBondContact O-N 3.13Å; A215-I217 VanDerWaalsContact C-N 3.31Å; A215-I217 PolarHBondContact O-N 2.6Å; A215-L223 HydrophobicContact CB-CD1 3.84Å; A215-L223 HydrophobicContact CB-CD2 4.48Å; A215-F225 HydrophobicContact CB-CE1 4.42Å; A215-F225 HydrophobicContact CB-CZ 4.07Å; A215-F321 HydrophobicContact CB-CE1 4.14Å
216	S	96.2	Very high	95.6	Very high	73 Å²	73	23.1 Å²	23.1	51%	0.51	13%	0.128	S	C	.	.	H	α-helix	trans	-66.4	-32.2	-178.4	73.2	0	0	0	0	113.1	L212 L213 G214	L212-S216 WeakPolarHBondContact O-CB 3.24Å; L212-S216 PolarHBondContact O-N 3.47Å; L213-S216 PolarHBondContact O-N 2.82Å; L213-S216 PolarHBondContact O-OG 3.31Å; G214-S216 VanDerWaalsContact C-N 3.3Å; G214-S216 PolarHBondContact O-N 3.13Å
217	I	96.4	Very high	96.1	Very high	52 Å²	52	24.4 Å²	24.4	27%	0.267	13%	0.134	S	C	.	.	H	α-helix	trans	-101.2	-10	-177.1	70.3	129.1	0	0	0	114	V171 I199 G214 A215	V171-I217 HydrophobicContact CG1-CD1 3.9Å; V171-I217 HydrophobicContact CG1-CG1 4.25Å; V171-I217 HydrophobicContact CG2-CD1 4.47Å; I199-I217 HydrophobicContact CD1-CD1 3.16Å; I199-I217 HydrophobicContact CD1-CG1 3.42Å; I199-I217 VanDerWaalsContact CD1-CG1 3.42Å; I199-I217 HydrophobicContact CG1-CD1 3.91Å; G214-I217 WeakPolarHBondContact O-CG1 3.41Å; G214-I217 PolarHBondContact O-N 2.82Å; A215-I217 VanDerWaalsContact C-N 3.31Å; A215-I217 PolarHBondContact O-N 2.6Å
218	A	97.9	Very high	96.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	13%	0.13	C	C	.	.			trans	-60.5	141.2	178.4	0	0	0	0	0	110.8	G214 L223 K318	G214-A218 WeakPolarHBondContact O-CB 3.46Å; G214-A218 PolarHBondContact O-N 2.63Å; G214-A218 VanDerWaalsContact O-N 3.13Å; A218-L223 HydrophobicContact CB-CD2 3.45Å; A218-L223 VanDerWaalsContact CB-CD2 3.45Å; A218-K318 PolarHBondContact O-NZ 2.94Å
219	T	98.2	Very high	97.1	Very high	73 Å²	73	24.6 Å²	24.6	45%	0.448	14%	0.135	S	C	.	.			trans	-114.3	-5.2	-175.9	64.7	0	0	0	0	114.1	S138 R168 E169	S138-T219 PolarHBondContact OG-N 2.93Å; R168-T219 WeakPolarHBondContact CG-OG1 3.34Å; R168-T219 PolarHBondContact NE-OG1 2.92Å; R168-T219 VanDerWaalsContact NE-OG1 3.14Å; E169-T219 WeakPolarHBondContact OE1-CA 3.32Å; E169-T219 WeakPolarHBondContact OE1-CB 3.41Å; E169-T219 PolarHBondContact OE1-N 3.27Å; E169-T219 PolarHBondContact OE1-OG1 2.91Å
220	G	98.4	Very high	97.4	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-71.9	158	174.2	0	0	0	0	0	112.9	S138 V222	S138-G220 PolarHBondContact OG-N 2.7Å; G220-V222 VanDerWaalsContact C-N 3.29Å
221	D	98.7	Very high	97.6	Very high	91 Å²	91	21.7 Å²	21.7	49%	0.487	12%	0.124	S	C	.	.	S	Bend	trans	-68.4	-32.9	177.3	-52.2	-61.7	0	0	0	111.7	P135 T136 K318	P135-D221 HydrophobicContact CB-CB 3.86Å; T136-D221 PolarHBondContact N-OD2 3.38Å; T136-D221 PolarHBondContact O-N 2.68Å; T136-D221 PolarHBondContact OG1-N 3.08Å; T136-D221 PolarHBondContact OG1-OD2 3.27Å; D221-K318 WeakPolarHBondContact O-CB 3.43Å; D221-K318 PolarHBondContact O-N 3.02Å
222	V	98.9	Very high	97.8	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.5	177.3	175.3	0	0	0	0	109.8	P135 T136 T137 S138 G220 L241 I244 V316	P135-V222 HydrophobicContact CB-CG2 3.94Å; P135-V222 HydrophobicContact CG-CG2 3.85Å; T136-V222 PolarHBondContact O-N 2.63Å; T137-V222 CarbonylContact C-O 3.2Å; T137-V222 WeakPolarHBondContact CA-O 3.46Å; T137-V222 PolarHBondContact OG1-O 3.42Å; S138-V222 PolarHBondContact N-O 3.3Å; G220-V222 VanDerWaalsContact C-N 3.29Å; V222-L241 HydrophobicContact CB-CD2 3.86Å; V222-L241 HydrophobicContact CG1-CD2 3.72Å; V222-L241 HydrophobicContact CG2-CD2 3.98Å; V222-I244 HydrophobicContact CG1-CD1 3.73Å; V222-I244 HydrophobicContact CG2-CD1 4.29Å; V222-I244 HydrophobicContact CG2-CG2 3.89Å; V222-V316 WeakPolarHBondContact CA-O 3.38Å; V222-V316 WeakPolarHBondContact CG1-O 3.22Å
223	L	98.9	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.8	166.5	-59.7	173.6	0	0	0	108	A215 A218 F225 S315 V316 K318 F321	A215-L223 HydrophobicContact CB-CD1 3.84Å; A215-L223 HydrophobicContact CB-CD2 4.48Å; A218-L223 HydrophobicContact CB-CD2 3.45Å; A218-L223 VanDerWaalsContact CB-CD2 3.45Å; L223-F225 HydrophobicContact CB-CD2 4.46Å; L223-F225 HydrophobicContact CB-CE2 3.77Å; L223-F225 HydrophobicContact CB-CZ 4.17Å; L223-F225 HydrophobicContact CD1-CE2 4.27Å; L223-F225 HydrophobicContact CD1-CZ 4.12Å; L223-S315 CarbonylContact O-C 2.99Å; L223-S315 VanDerWaalsContact O-CA 3.25Å; L223-S315 WeakPolarHBondContact O-CA 3.4Å; L223-V316 HydrophobicContact CB-CG1 4.22Å; L223-V316 PolarHBondContact N-O 3Å; L223-V316 PolarHBondContact O-N 3Å; L223-K318 HydrophobicContact CD1-CB 4.35Å; L223-K318 HydrophobicContact CD1-CG 4.12Å; L223-K318 HydrophobicContact CD2-CB 4.46Å; L223-K318 HydrophobicContact CD2-CD 4.42Å; L223-K318 HydrophobicContact CD2-CG 4.27Å; L223-K318 HydrophobicContact CG-CB 3.98Å; L223-K318 HydrophobicContact CG-CG 4.1Å; L223-F321 HydrophobicContact CD1-CB 4.21Å; L223-F321 HydrophobicContact CD1-CD1 3.6Å; L223-F321 HydrophobicContact CD1-CE1 4.23Å; L223-F321 HydrophobicContact CD1-CG 4.05Å
224	T	98.9	Very high	97.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110	172.8	-61.4	0	0	0	0	108.8	T137 S138 V139 V140 W236 F314 S315	T137-T224 WeakPolarHBondContact OG1-CB 3.29Å; T137-T224 PolarHBondContact OG1-OG1 3Å; S138-T224 PolarHBondContact O-N 2.92Å; V139-T224 CarbonylContact C-O 3.59Å; V139-T224 WeakPolarHBondContact CA-O 3.47Å; V139-T224 HydrophobicContact CG2-CG2 4.39Å; V140-T224 PolarHBondContact N-O 2.85Å; T224-W236 HydrophobicContact CG2-CH2 3.65Å; T224-W236 HydrophobicContact CG2-CZ3 3.75Å; T224-F314 CarbonylContact C-O 3.56Å; T224-F314 WeakPolarHBondContact CA-O 3.31Å; T224-S315 WeakPolarHBondContact CB-OG 3.4Å; T224-S315 WeakPolarHBondContact CG2-OG 3.48Å; T224-S315 PolarHBondContact OG1-OG 3.19Å
225	F	98.8	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135	177.8	-63.3	-85.5	0	0	0	109.8	V140 R211 A215 L223 L313 F314 V316 F321	V140-F225 HydrophobicContact CB-CD1 3.8Å; V140-F225 HydrophobicContact CB-CE1 3.91Å; V140-F225 HydrophobicContact CG1-CD1 4.02Å; V140-F225 HydrophobicContact CG1-CE1 3.96Å; V140-F225 HydrophobicContact CG2-CE1 4.31Å; V140-F225 WeakPolarHBondContact O-CA 3.06Å; R211-F225 HydrophobicContact CB-CD1 4.07Å; R211-F225 HydrophobicContact CB-CE1 3.79Å; R211-F225 HydrophobicContact CG-CD1 3.88Å; R211-F225 HydrophobicContact CG-CE1 4.13Å; A215-F225 HydrophobicContact CB-CE1 4.42Å; A215-F225 HydrophobicContact CB-CZ 4.07Å; L223-F225 HydrophobicContact CB-CD2 4.46Å; L223-F225 HydrophobicContact CB-CE2 3.77Å; L223-F225 HydrophobicContact CB-CZ 4.17Å; L223-F225 HydrophobicContact CD1-CE2 4.27Å; L223-F225 HydrophobicContact CD1-CZ 4.12Å; F225-L313 WeakPolarHBondContact O-CA 3.43Å; F225-F314 HydrophobicContact CB-CD1 4.23Å; F225-F314 HydrophobicContact CB-CE1 3.94Å; F225-F314 HydrophobicContact CB-CZ 4.35Å; F225-F314 HydrophobicContact CD2-CD1 4.31Å; F225-F314 HydrophobicContact CD2-CD2 4.1Å; F225-F314 AromaticContact CD2-CE1 3.65Å; F225-F314 HydrophobicContact CD2-CE1 3.65Å; F225-F314 AromaticContact CD2-CE2 3.42Å; F225-F314 HydrophobicContact CD2-CE2 3.42Å; F225-F314 VanDerWaalsContact CD2-CE2 3.42Å; F225-F314 AromaticContact CD2-CZ 3.16Å; F225-F314 HydrophobicContact CD2-CZ 3.16Å; F225-F314 HydrophobicContact CE2-CE1 4.45Å; F225-F314 AromaticContact CE2-CE2 3.73Å; F225-F314 HydrophobicContact CE2-CE2 3.73Å; F225-F314 AromaticContact CE2-CZ 3.57Å; F225-F314 HydrophobicContact CE2-CZ 3.57Å; F225-F314 AromaticContact CG-CE1 3.99Å; F225-F314 HydrophobicContact CG-CE1 3.99Å; F225-F314 AromaticContact CG-CZ 3.92Å; F225-F314 HydrophobicContact CG-CZ 3.92Å; F225-F314 PolarHBondContact N-O 3.33Å; F225-F314 PolarHBondContact O-N 2.99Å; F225-V316 HydrophobicContact CE2-CG1 4.38Å; F225-F321 HydrophobicContact CZ-CE1 4.45Å; F225-F321 HydrophobicContact CZ-CZ 4.32Å
226	L	98.6	Very high	98	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.5	171.5	-67	179.3	0	0	0	109.5	V139 V140 I141 V158 W236 L313 V360	V139-L226 HydrophobicContact CG1-CD1 3.9Å; V139-L226 HydrophobicContact CG1-CG 4.25Å; V140-L226 PolarHBondContact O-N 2.76Å; V140-L226 VanDerWaalsContact O-N 3.12Å; I141-L226 WeakPolarHBondContact CA-O 3.37Å; I141-L226 HydrophobicContact CG1-CB 4.02Å; V158-L226 HydrophobicContact CG2-CD1 3.56Å; L226-W236 HydrophobicContact CD1-CH2 3.75Å; L226-W236 HydrophobicContact CD1-CZ2 4.33Å; L226-W236 HydrophobicContact CD1-CZ3 4.29Å; L226-W236 HydrophobicContact CD2-CH2 4.4Å; L226-W236 HydrophobicContact CD2-CZ3 4.15Å; L226-W236 HydrophobicContact CG-CH2 4.33Å; L226-L313 HydrophobicContact CD2-CB 4.28Å; L226-L313 HydrophobicContact CD2-CD2 3.7Å; L226-L313 HydrophobicContact CD2-CG 3.94Å; L226-V360 HydrophobicContact CD2-CG1 4.26Å
227	D	97.4	Very high	98.1	Very high	27 Å²	27	20.3 Å²	20.3	14%	0.144	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	161.5	168.8	-71.2	-14.2	0	0	0	110.5	T154 R211 H229 C230 H362	T154-D227 WeakPolarHBondContact CG2-O 3.42Å; R211-D227 IonicContact NH2-OD1 3.99Å; R211-D227 PolarHBondContact NH2-OD1 2.99Å; D227-H229 PolarHBondContact O-N 3.02Å; D227-H229 VanDerWaalsContact O-N 3.17Å; D227-C230 PolarHBondContact O-SG 2.67Å; D227-C230 VanDerWaalsContact O-SG 3.38Å; D227-H362 IonicContact OD2-CD2 3.2Å; D227-H362 IonicContact OD2-NE2 2.76Å; D227-H362 PolarHBondContact OD2-NE2 2.76Å; D227-H362 VanDerWaalsContact OD2-NE2 3.09Å
228	C	97.4	Very high	98.2	Very high	10 Å²	10	18 Å²	18	7%	0.068	10%	0.098	C	C	.	.	S	Bend	trans	-81.1	14.6	-173.7	49.9	0	0	0	0	115.8	I141 F143 E146 T150 L151 T154	I141-C228 HydrophobicContact CG2-CB 3.7Å; F143-C228 HydrophobicContact CB-CB 3.61Å; F143-C228 VanDerWaalsContact CB-SG 3.56Å; E146-C228 HydrophobicContact CB-CB 4.47Å; E146-C228 HydrophobicContact CG-CB 3.95Å; E146-C228 PolarHBondContact OE2-SG 2.67Å; T150-C228 CarbonylContact C-O 3.56Å; L151-C228 WeakPolarHBondContact CA-O 3.21Å; L151-C228 HydrophobicContact CD1-CB 3.82Å; L151-C228 PolarHBondContact N-O 2.85Å; T154-C228 PolarHBondContact OG1-O 2.9Å; T154-C228 VanDerWaalsContact OG1-O 3.14Å
229	H	97.9	Very high	98.2	Very high	27 Å²	27	18 Å²	18	13%	0.125	10%	0.098	C	C	.	.	S	Bend	trans	-141.5	54.9	177.3	40.4	-100.9	0	0	0	109.6	E146 T154 D227 H362 V363	E146-H229 IonicContact OE1-ND1 2.84Å; E146-H229 IonicContact OE2-CE1 2.75Å; E146-H229 IonicContact OE2-CG 2.82Å; E146-H229 IonicContact OE2-ND1 2.64Å; E146-H229 PolarHBondContact OE2-ND1 2.74Å; T154-H229 WeakPolarHBondContact OG1-CA 3.39Å; T154-H229 PolarHBondContact OG1-N 2.75Å; D227-H229 PolarHBondContact O-N 3.02Å; D227-H229 VanDerWaalsContact O-N 3.17Å; H229-H362 AromaticContact CD2-CD2 3.89Å; H229-H362 AromaticContact CD2-CE1 3.69Å; H229-H362 AromaticContact CD2-NE2 3.4Å; H229-H362 PolarHBondContact CD2-NE2 3.2Å; H229-H362 AromaticContact NE2-CE1 3.52Å; H229-H362 AromaticContact NE2-NE2 3.18Å; H229-H362 PolarHBondContact NE2-NE2 2.99Å; H229-H362 VanDerWaalsContact NE2-NE2 3.18Å; H229-V363 HydrophobicContact CB-CB 4.16Å; H229-V363 HydrophobicContact CB-CG2 4.26Å; H229-V363 PolarHBondContact CD2-O 2.98Å; H229-V363 PolarHBondContact O-N 2.86Å; H229-V363 VanDerWaalsContact O-N 3.07Å
230	C	98.7	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.2	-179.3	-68	0	0	0	0	111.7	T154 D227 V360 G361	T154-C230 VanDerWaalsContact CA-O 3.26Å; T154-C230 WeakPolarHBondContact CA-O 3.43Å; T154-C230 HydrophobicContact CG2-CB 4.04Å; T154-C230 PolarHBondContact OG1-N 3.46Å; T154-C230 PolarHBondContact OG1-O 3.38Å; D227-C230 PolarHBondContact O-SG 2.67Å; D227-C230 VanDerWaalsContact O-SG 3.38Å; C230-V360 HydrophobicContact CB-CG1 3.85Å; C230-G361 CarbonylContact C-O 3.46Å; C230-G361 WeakPolarHBondContact CA-O 3.31Å
231	E	98.8	Very high	98.3	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.028	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.8	170.5	-57	-179.3	-140.2	0	0	109.1	R114 L116 R153 I259 G361	R114-E231 IonicContact CZ-OE1 2.91Å; R114-E231 IonicContact CZ-OE2 3.31Å; R114-E231 IonicContact NE-OE1 3.48Å; R114-E231 PolarHBondContact NE-OE1 3.03Å; R114-E231 IonicContact NE-OE2 3.04Å; R114-E231 PolarHBondContact NE-OE2 3.21Å; R114-E231 VanDerWaalsContact NH2-CD 3.29Å; R114-E231 IonicContact NH2-OE1 2.67Å; R114-E231 PolarHBondContact NH2-OE1 3.11Å; R114-E231 IonicContact NH2-OE2 3.68Å; R114-E231 PolarHBondContact NH2-OE2 3.27Å; L116-E231 HydrophobicContact CD1-CB 3.94Å; L116-E231 HydrophobicContact CD2-CB 4.46Å; R153-E231 WeakPolarHBondContact CD-OE1 3.36Å; R153-E231 HydrophobicContact CG-CG 4.09Å; E231-I259 HydrophobicContact CB-CD1 3.82Å; E231-I259 HydrophobicContact CG-CD1 3.75Å; E231-G361 PolarHBondContact N-O 3.25Å; E231-G361 PolarHBondContact O-N 3.22Å
232	C	98.7	Very high	98.3	Very high	4 Å²	4	13 Å²	13	3%	0.027	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.6	-176.1	-57.5	0	0	0	0	110.8	S157 T161 W236	S157-C232 PolarHBondContact OG-N 2.59Å; T161-C232 HydrophobicContact CG2-CB 4.49Å; T161-C232 VanDerWaalsContact OG1-CB 3.31Å; T161-C232 WeakPolarHBondContact OG1-CB 3.38Å; C232-W236 HydrophobicContact CB-CD2 4.04Å; C232-W236 HydrophobicContact CB-CG 3.83Å
233	H	97.7	Very high	98.3	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.019	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-69.7	155.2	167.6	-170.9	-81.6	0	0	0	109.9	E118 R119 W120 G235 W236 H359	E118-H233 WeakPolarHBondContact CA-NE2 3.34Å; R119-H233 PolarHBondContact N-NE2 2.93Å; W120-H233 AromaticContact CD2-CE1 3.36Å; W120-H233 AromaticContact CD2-ND1 3.92Å; W120-H233 AromaticContact CE2-CE1 3.67Å; W120-H233 AromaticContact CE3-CE1 3.29Å; W120-H233 AromaticContact CE3-ND1 3.33Å; W120-H233 VanDerWaalsContact CE3-ND1 3.33Å; W120-H233 AromaticContact CH2-CE1 3.78Å; W120-H233 AromaticContact CH2-ND1 3.91Å; W120-H233 AromaticContact CZ2-CE1 3.84Å; W120-H233 AromaticContact CZ3-CE1 3.56Å; W120-H233 AromaticContact CZ3-ND1 3.4Å; W120-H233 WeakPolarHBondContact CZ3-ND1 3.16Å; H233-G235 PolarHBondContact O-N 3.05Å; H233-W236 WeakPolarHBondContact O-CB 3.39Å; H233-W236 VanDerWaalsContact O-CD1 3.24Å; H233-W236 PolarHBondContact O-N 2.99Å; H233-H359 HydrophobicContact CB-CB 3.67Å; H233-H359 WeakPolarHBondContact CB-O 3.36Å; H233-H359 PolarHBondContact N-O 2.85Å
234	E	95.9	Very high	98.3	Very high	115 Å²	115	15.6 Å²	15.6	54%	0.537	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	143.3	169.5	-170.4	-173.9	154.3	0	0	109.5	K60 W120 W236	K60-E234 IonicContact NZ-OE1 2.84Å; K60-E234 PolarHBondContact NZ-OE1 2.92Å; W120-E234 WeakPolarHBondContact CH2-O 3.17Å; W120-E234 WeakPolarHBondContact CZ3-O 3.15Å; E234-W236 PolarHBondContact O-N 2.68Å
235	G	96.6	Very high	98.3	Very high	9 Å²	9	20.2 Å²	20.2	9%	0.093	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	16	174.1	0	0	0	0	0	115.6	H233 L237 E238 P239	H233-G235 PolarHBondContact O-N 3.05Å; G235-L237 VanDerWaalsContact C-N 3.3Å; G235-L237 PolarHBondContact O-N 3.21Å; G235-E238 VanDerWaalsContact C-OE2 3.24Å; G235-E238 VanDerWaalsContact CA-OE2 3.29Å; G235-E238 WeakPolarHBondContact CA-OE2 3.48Å; G235-P239 WeakPolarHBondContact O-CD 3.18Å; G235-P239 WeakPolarHBondContact O-CG 3.38Å
236	W	98.6	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.			trans	-67.9	-27	-178.2	74.7	-74.3	0	0	0	113.5	V139 T161 T224 L226 C232 H233 E234 L240 S358 V360	V139-W236 HydrophobicContact CG2-CH2 4.49Å; T161-W236 PolarHBondContact OG1-NE1 3.37Å; T161-W236 VanDerWaalsContact OG1-NE1 3.13Å; T224-W236 HydrophobicContact CG2-CH2 3.65Å; T224-W236 HydrophobicContact CG2-CZ3 3.75Å; L226-W236 HydrophobicContact CD1-CH2 3.75Å; L226-W236 HydrophobicContact CD1-CZ2 4.33Å; L226-W236 HydrophobicContact CD1-CZ3 4.29Å; L226-W236 HydrophobicContact CD2-CH2 4.4Å; L226-W236 HydrophobicContact CD2-CZ3 4.15Å; L226-W236 HydrophobicContact CG-CH2 4.33Å; C232-W236 HydrophobicContact CB-CD2 4.04Å; C232-W236 HydrophobicContact CB-CG 3.83Å; H233-W236 WeakPolarHBondContact O-CB 3.39Å; H233-W236 VanDerWaalsContact O-CD1 3.24Å; H233-W236 PolarHBondContact O-N 2.99Å; E234-W236 PolarHBondContact O-N 2.68Å; W236-L240 HydrophobicContact CE3-CD1 4.02Å; W236-L240 HydrophobicContact CZ3-CD1 4.06Å; W236-S358 VanDerWaalsContact O-CB 3.23Å; W236-S358 WeakPolarHBondContact O-CB 3.15Å; W236-S358 PolarHBondContact O-OG 2.94Å; W236-V360 HydrophobicContact CB-CG2 4.42Å; W236-V360 HydrophobicContact CD2-CG2 4.13Å; W236-V360 HydrophobicContact CE3-CG2 3.58Å; W236-V360 HydrophobicContact CG-CG2 4.5Å; W236-V360 HydrophobicContact CZ3-CG2 4.2Å
237	L	98.8	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-90.9	-42.5	-164.8	-180	59	0	0	0	112.7	T137 L166 G235 L240 L241	T137-L237 HydrophobicContact CG2-CD1 3.88Å; T137-L237 HydrophobicContact CG2-CD2 3.85Å; T137-L237 HydrophobicContact CG2-CG 4.44Å; L166-L237 HydrophobicContact CB-CD2 4.33Å; G235-L237 VanDerWaalsContact C-N 3.3Å; G235-L237 PolarHBondContact O-N 3.21Å; L237-L240 WeakPolarHBondContact O-CB 3.47Å; L237-L240 PolarHBondContact O-N 3.43Å; L237-L240 VanDerWaalsContact O-N 3.12Å; L237-L241 HydrophobicContact CD1-CD1 3.86Å; L237-L241 HydrophobicContact CD1-CD2 4.2Å; L237-L241 HydrophobicContact CD1-CG 3.86Å; L237-L241 HydrophobicContact CD2-CD1 4.04Å; L237-L241 HydrophobicContact CG-CD1 3.64Å; L237-L241 HydrophobicContact CG-CG 4.05Å; L237-L241 WeakPolarHBondContact O-CG 3.48Å; L237-L241 PolarHBondContact O-N 2.93Å; L237-L241 VanDerWaalsContact O-N 3.12Å
238	E	98.7	Very high	98.3	Very high	4 Å²	4	31 Å²	31	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-54.8	-43.7	-176.9	-55.7	91.4	131.8	0	0	113.4	Y129 Y131 P163 L166 G235 L240 L241 K242	Y129-E238 HydrophobicContact CD1-CB 3.77Å; Y129-E238 HydrophobicContact CD2-CB 3.75Å; Y129-E238 HydrophobicContact CD2-CG 4.26Å; Y129-E238 HydrophobicContact CE1-CB 3.86Å; Y129-E238 HydrophobicContact CE2-CB 3.83Å; Y129-E238 HydrophobicContact CG-CB 3.73Å; Y129-E238 HydrophobicContact CG-CG 4.39Å; Y131-E238 HydrophobicContact CE1-CG 3.71Å; Y131-E238 PolarHBondContact OH-OE1 3.02Å; P163-E238 HydrophobicContact CG-CG 4.2Å; L166-E238 HydrophobicContact CD1-CG 4.01Å; G235-E238 VanDerWaalsContact C-OE2 3.24Å; G235-E238 VanDerWaalsContact CA-OE2 3.29Å; G235-E238 WeakPolarHBondContact CA-OE2 3.48Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.28Å; E238-L241 PolarHBondContact O-N 2.94Å; E238-K242 WeakPolarHBondContact O-CB 3.5Å; E238-K242 PolarHBondContact O-N 2.89Å
239	P	98.7	Very high	98.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-38.2	177.6	-9.8	19.3	0	0	0	112.8	Y129 G235 R243 H355 C357	Y129-P239 WeakPolarHBondContact OH-CG 3.34Å; G235-P239 WeakPolarHBondContact O-CD 3.18Å; G235-P239 WeakPolarHBondContact O-CG 3.38Å; P239-R243 WeakPolarHBondContact O-CB 3.48Å; P239-R243 PolarHBondContact O-N 2.82Å; P239-H355 WeakPolarHBondContact CB-CE1 3.46Å; P239-H355 WeakPolarHBondContact CB-ND1 3.44Å; P239-H355 WeakPolarHBondContact CB-NE2 3.49Å; P239-H355 PolarHBondContact O-CD2 3.3Å; P239-C357 HydrophobicContact CB-CB 4.33Å; P239-C357 HydrophobicContact CG-CB 4.03Å
240	L	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-48.2	178.6	-55	179.3	0	0	0	110.9	W236 L237 E238 R243 I244 V252 H355 S358	W236-L240 HydrophobicContact CE3-CD1 4.02Å; W236-L240 HydrophobicContact CZ3-CD1 4.06Å; L237-L240 WeakPolarHBondContact O-CB 3.47Å; L237-L240 PolarHBondContact O-N 3.43Å; L237-L240 VanDerWaalsContact O-N 3.12Å; E238-L240 VanDerWaalsContact C-N 3.33Å; E238-L240 PolarHBondContact O-N 3.28Å; L240-R243 PolarHBondContact O-N 3.42Å; L240-I244 WeakPolarHBondContact O-CG1 3.15Å; L240-I244 PolarHBondContact O-N 3.31Å; L240-I244 VanDerWaalsContact O-N 3.09Å; L240-V252 HydrophobicContact CD2-CB 4.16Å; L240-V252 HydrophobicContact CD2-CG1 3.58Å; L240-H355 HydrophobicContact CD2-CB 4.01Å; L240-S358 WeakPolarHBondContact CD1-OG 3.29Å; L240-S358 WeakPolarHBondContact CD2-OG 3.45Å; L240-S358 WeakPolarHBondContact CG-OG 3.37Å
241	L	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.3	-38	-178	-59.8	-177.6	0	0	0	112.3	P135 T137 L166 V222 L237 E238 R243 I244 K245	P135-L241 HydrophobicContact CG-CB 4.19Å; T137-L241 HydrophobicContact CG2-CD1 4.33Å; T137-L241 HydrophobicContact CG2-CD2 4.49Å; L166-L241 HydrophobicContact CB-CD1 3.97Å; L166-L241 HydrophobicContact CD1-CD1 4.05Å; L166-L241 HydrophobicContact CG-CD1 4.45Å; V222-L241 HydrophobicContact CB-CD2 3.86Å; V222-L241 HydrophobicContact CG1-CD2 3.72Å; V222-L241 HydrophobicContact CG2-CD2 3.98Å; L237-L241 HydrophobicContact CD1-CD1 3.86Å; L237-L241 HydrophobicContact CD1-CD2 4.2Å; L237-L241 HydrophobicContact CD1-CG 3.86Å; L237-L241 HydrophobicContact CD2-CD1 4.04Å; L237-L241 HydrophobicContact CG-CD1 3.64Å; L237-L241 HydrophobicContact CG-CG 4.05Å; L237-L241 WeakPolarHBondContact O-CG 3.48Å; L237-L241 PolarHBondContact O-N 2.93Å; L237-L241 VanDerWaalsContact O-N 3.12Å; E238-L241 PolarHBondContact O-N 2.94Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-I244 PolarHBondContact O-N 3.1Å; L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 2.74Å
242	K	98.6	Very high	98.4	Very high	63 Å²	63	33.9 Å²	33.9	27%	0.274	16%	0.161	S	C	.	.	H	α-helix	trans	-58.9	-47.7	172.6	-179.3	-177.5	172.3	-175.5	0	110.5	Y129 L134 E238 I244 K245 E246	Y129-K242 HydrophobicContact CD1-CB 4.04Å; Y129-K242 HydrophobicContact CD1-CD 3.7Å; Y129-K242 HydrophobicContact CD1-CG 4.38Å; Y129-K242 HydrophobicContact CE1-CB 4.05Å; Y129-K242 HydrophobicContact CE1-CD 3.6Å; Y129-K242 HydrophobicContact CE1-CG 4.45Å; L134-K242 HydrophobicContact CD2-CB 3.97Å; E238-K242 WeakPolarHBondContact O-CB 3.5Å; E238-K242 PolarHBondContact O-N 2.89Å; K242-I244 PolarHBondContact O-N 2.83Å; K242-K245 WeakPolarHBondContact O-CB 3.46Å; K242-K245 PolarHBondContact O-N 2.9Å; K242-E246 WeakPolarHBondContact CE-OE1 3.36Å; K242-E246 WeakPolarHBondContact O-CG 3.42Å; K242-E246 PolarHBondContact O-N 3.04Å; K242-E246 VanDerWaalsContact O-N 3.08Å
243	R	98.6	Very high	98.4	Very high	49 Å²	49	34 Å²	34	19%	0.185	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-43.1	-178.9	-179.9	59.6	-175.2	144.8	8.2	112.5	P239 L240 L241 K245 E246 E247 V252 V303 E353	P239-R243 WeakPolarHBondContact O-CB 3.48Å; P239-R243 PolarHBondContact O-N 2.82Å; L240-R243 PolarHBondContact O-N 3.42Å; L241-R243 VanDerWaalsContact C-N 3.34Å; R243-K245 VanDerWaalsContact C-N 3.28Å; R243-K245 PolarHBondContact O-N 3.18Å; R243-E246 PolarHBondContact O-N 2.79Å; R243-E247 PolarHBondContact O-N 2.91Å; R243-V252 HydrophobicContact CB-CG1 4.41Å; R243-V252 HydrophobicContact CB-CG2 4.01Å; R243-V252 HydrophobicContact CG-CG1 4.36Å; R243-V252 HydrophobicContact CG-CG2 3.61Å; R243-V303 HydrophobicContact CG-CG1 4Å; R243-E353 WeakPolarHBondContact CG-OE2 3.34Å; R243-E353 IonicContact CZ-OE1 3.66Å; R243-E353 IonicContact CZ-OE2 3.46Å; R243-E353 IonicContact NE-OE1 3.66Å; R243-E353 IonicContact NE-OE2 2.67Å; R243-E353 PolarHBondContact NE-OE2 2.96Å; R243-E353 IonicContact NH2-OE1 2.8Å; R243-E353 PolarHBondContact NH2-OE1 3.46Å; R243-E353 IonicContact NH2-OE2 3.38Å; R243-E353 PolarHBondContact NH2-OE2 2.95Å
244	I	98.8	Very high	98.4	Very high	6 Å²	6	34 Å²	34	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-32.9	177.7	-67.4	165.9	0	0	0	111.6	V222 L240 L241 K242 E247 P248 V252 S315	V222-I244 HydrophobicContact CG1-CD1 3.73Å; V222-I244 HydrophobicContact CG2-CD1 4.29Å; V222-I244 HydrophobicContact CG2-CG2 3.89Å; L240-I244 WeakPolarHBondContact O-CG1 3.15Å; L240-I244 PolarHBondContact O-N 3.31Å; L240-I244 VanDerWaalsContact O-N 3.09Å; L241-I244 PolarHBondContact O-N 3.1Å; K242-I244 PolarHBondContact O-N 2.83Å; I244-E247 CarbonylContact O-C 3.59Å; I244-P248 VanDerWaalsContact O-CA 3.24Å; I244-P248 WeakPolarHBondContact O-CA 3.48Å; I244-P248 VanDerWaalsContact O-N 3.15Å; I244-V252 HydrophobicContact CD1-CG2 4.43Å; I244-V252 HydrophobicContact CG1-CG2 3.8Å; I244-S315 VanDerWaalsContact CD1-CB 3.49Å
245	K	98.4	Very high	98.5	Very high	99 Å²	99	29.2 Å²	29.2	43%	0.43	14%	0.141	S	C	.	.	H	α-helix	trans	-64.3	-41.9	173.2	-175.2	-172.7	174.1	-171.6	0	111.9	T133 L134 P135 L241 K242 R243	T133-K245 VanDerWaalsContact O-CD 3.27Å; T133-K245 WeakPolarHBondContact O-CD 3.42Å; T133-K245 WeakPolarHBondContact O-CE 3.22Å; T133-K245 PolarHBondContact O-NZ 2.62Å; T133-K245 PolarHBondContact OG1-NZ 3.06Å; L134-K245 HydrophobicContact CD2-CD 4.13Å; P135-K245 HydrophobicContact CG-CB 4.48Å; L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 2.74Å; K242-K245 WeakPolarHBondContact O-CB 3.46Å; K242-K245 PolarHBondContact O-N 2.9Å; R243-K245 VanDerWaalsContact C-N 3.28Å; R243-K245 PolarHBondContact O-N 3.18Å
246	E	98.4	Very high	98.6	Very high	113 Å²	113	30 Å²	30	53%	0.528	14%	0.143	S	C	.	.	H	α-helix	trans	-71.1	-39.2	178.7	-69.3	169.1	178.9	0	0	112.2	K242 R243	K242-E246 WeakPolarHBondContact CE-OE1 3.36Å; K242-E246 WeakPolarHBondContact O-CG 3.42Å; K242-E246 PolarHBondContact O-N 3.04Å; K242-E246 VanDerWaalsContact O-N 3.08Å; R243-E246 PolarHBondContact O-N 2.79Å
247	E	98.4	Very high	98.5	Very high	72 Å²	72	30.2 Å²	30.2	34%	0.336	14%	0.144	S	C	.	.			trans	-134	92.4	178.5	-178.3	50.8	-102.7	0	0	110.5	R243 I244 K249 A250	R243-E247 PolarHBondContact O-N 2.91Å; I244-E247 CarbonylContact O-C 3.59Å; E247-K249 PolarHBondContact O-N 2.87Å; E247-K249 VanDerWaalsContact O-N 3.07Å; E247-K249 WeakPolarHBondContact OE1-CB 3.25Å; E247-K249 PolarHBondContact OE1-N 2.8Å; E247-A250 HydrophobicContact CB-CB 4.06Å; E247-A250 HydrophobicContact CG-CB 3.88Å; E247-A250 VanDerWaalsContact O-CB 3.27Å; E247-A250 WeakPolarHBondContact O-CB 3.44Å; E247-A250 PolarHBondContact O-N 2.75Å
248	P	98.3	Very high	98.5	Very high	68 Å²	68	33.1 Å²	33.1	44%	0.442	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.6	-176.9	-27.4	36.5	0	0	0	115.2	I244	I244-P248 VanDerWaalsContact O-CA 3.24Å; I244-P248 WeakPolarHBondContact O-CA 3.48Å; I244-P248 VanDerWaalsContact O-N 3.15Å
249	K	98.6	Very high	98.5	Very high	104 Å²	104	32.9 Å²	32.9	45%	0.452	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	1.6	175.8	-60.9	-176.5	179.5	177.2	0	113.5	E247 Y320 G350 S351	E247-K249 PolarHBondContact O-N 2.87Å; E247-K249 VanDerWaalsContact O-N 3.07Å; E247-K249 WeakPolarHBondContact OE1-CB 3.25Å; E247-K249 PolarHBondContact OE1-N 2.8Å; K249-Y320 HydrophobicContact CB-CD2 4.43Å; K249-Y320 HydrophobicContact CB-CE1 4.08Å; K249-Y320 HydrophobicContact CB-CE2 3.98Å; K249-Y320 HydrophobicContact CD-CE2 4.3Å; K249-Y320 HydrophobicContact CG-CD2 4.05Å; K249-Y320 HydrophobicContact CG-CE2 3.77Å; K249-Y320 WeakPolarHBondContact O-CE1 3.34Å; K249-G350 WeakPolarHBondContact O-CA 3.37Å; K249-S351 PolarHBondContact O-N 3.44Å
250	A	98.7	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.8	173.3	0	0	0	0	0	110.5	E247 V252	E247-A250 HydrophobicContact CB-CB 4.06Å; E247-A250 HydrophobicContact CG-CB 3.88Å; E247-A250 VanDerWaalsContact O-CB 3.27Å; E247-A250 WeakPolarHBondContact O-CB 3.44Å; E247-A250 PolarHBondContact O-N 2.75Å; A250-V252 HydrophobicContact CB-CG2 3.95Å
251	V	98.9	Very high	98.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.5	163.2	-179.8	0	0	0	0	106.8	M309 F314 V316 Y320 F341 I345 S351 L352 E353	V251-M309 HydrophobicContact CG1-CE 4.36Å; V251-F314 HydrophobicContact CG1-CB 4.18Å; V251-F314 HydrophobicContact CG1-CD2 3.65Å; V251-F314 HydrophobicContact CG1-CE2 4.4Å; V251-F314 HydrophobicContact CG1-CG 4.19Å; V251-V316 HydrophobicContact CG1-CB 4.49Å; V251-V316 HydrophobicContact CG2-CB 4.23Å; V251-V316 HydrophobicContact CG2-CG2 3.79Å; V251-Y320 HydrophobicContact CG2-CE1 4.4Å; V251-F341 HydrophobicContact CG1-CE1 4.48Å; V251-F341 HydrophobicContact CG2-CZ 4.4Å; V251-I345 HydrophobicContact CB-CD1 3.92Å; V251-I345 HydrophobicContact CG1-CD1 4.09Å; V251-I345 HydrophobicContact CG2-CD1 3.62Å; V251-I345 HydrophobicContact CG2-CG1 3.9Å; V251-I345 HydrophobicContact CG2-CG2 4.19Å; V251-S351 PolarHBondContact N-O 3.33Å; V251-L352 HydrophobicContact CB-CD1 3.93Å; V251-L352 HydrophobicContact CG1-CD1 3.8Å; V251-L352 WeakPolarHBondContact O-CA 3.38Å; V251-E353 PolarHBondContact O-N 3.38Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.5	-167.1	-165	0	0	0	0	110.1	L240 R243 I244 A250 F314 S315 E353 H355	L240-V252 HydrophobicContact CD2-CB 4.16Å; L240-V252 HydrophobicContact CD2-CG1 3.58Å; R243-V252 HydrophobicContact CB-CG1 4.41Å; R243-V252 HydrophobicContact CB-CG2 4.01Å; R243-V252 HydrophobicContact CG-CG1 4.36Å; R243-V252 HydrophobicContact CG-CG2 3.61Å; I244-V252 HydrophobicContact CD1-CG2 4.43Å; I244-V252 HydrophobicContact CG1-CG2 3.8Å; A250-V252 HydrophobicContact CB-CG2 3.95Å; V252-F314 CarbonylContact O-C 3.4Å; V252-F314 WeakPolarHBondContact O-CA 3.43Å; V252-S315 PolarHBondContact N-O 3.3Å; V252-S315 PolarHBondContact O-N 3.34Å; V252-E353 CarbonylContact C-O 3.55Å; V252-E353 WeakPolarHBondContact CA-O 3.45Å; V252-H355 HydrophobicContact CG1-CB 3.86Å
253	C	98.8	Very high	98.3	Very high	8 Å²	8	38 Å²	38	5%	0.054	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.7	177.2	-66.7	0	0	0	0	110.8	L313 E353 I354 H355	C253-L313 PolarHBondContact SG-O 2.97Å; C253-L313 VanDerWaalsContact SG-O 3.39Å; C253-E353 PolarHBondContact N-O 3.27Å; C253-I354 HydrophobicContact CB-CG1 4.26Å; C253-I354 WeakPolarHBondContact O-CA 3.36Å; C253-H355 PolarHBondContact O-N 3.22Å
254	P	98.6	Very high	98.2	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	161.6	161.1	32.9	-34.9	0	0	0	110.3	I256 L313 S358 V360	P254-I256 PolarHBondContact O-N 3.29Å; P254-L313 HydrophobicContact CG-CB 3.78Å; P254-L313 HydrophobicContact CG-CD2 4.19Å; P254-S358 CarbonylContact C-O 3.6Å; P254-S358 VanDerWaalsContact CA-O 3.32Å; P254-S358 WeakPolarHBondContact CA-O 3.32Å; P254-S358 WeakPolarHBondContact CB-O 3.38Å; P254-S358 WeakPolarHBondContact CB-OG 3.34Å; P254-V360 HydrophobicContact CB-CB 4.28Å; P254-V360 HydrophobicContact CB-CG2 3.79Å; P254-V360 HydrophobicContact CG-CB 4.18Å; P254-V360 HydrophobicContact CG-CG2 3.88Å
255	V	98.2	Very high	98.2	Very high	13 Å²	13	38.8 Å²	38.8	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.1	155.5	-178.4	0	0	0	0	107.8	P273 I354 S358 V360	V255-P273 HydrophobicContact CB-CB 4.42Å; V255-P273 HydrophobicContact CG1-CB 3.85Å; V255-P273 HydrophobicContact CG2-CB 3.73Å; V255-P273 HydrophobicContact CG2-CG 3.91Å; V255-I354 HydrophobicContact CG2-CG2 3.88Å; V255-S358 PolarHBondContact N-O 3Å; V255-V360 PolarHBondContact O-N 3.48Å
256	I	97.9	Very high	98.2	Very high	26 Å²	26	34.2 Å²	34.2	13%	0.133	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	103.2	178.7	-56.4	175	0	0	0	107.7	P254 W286 A310 L313 V360 H362 F364	P254-I256 PolarHBondContact O-N 3.29Å; I256-W286 HydrophobicContact CB-CH2 4.42Å; I256-W286 HydrophobicContact CD1-CH2 4.31Å; I256-A310 HydrophobicContact CD1-CB 3.67Å; I256-L313 HydrophobicContact CD1-CB 4.3Å; I256-L313 HydrophobicContact CD1-CD1 3.91Å; I256-L313 HydrophobicContact CG1-CB 4.41Å; I256-L313 HydrophobicContact CG1-CD1 4.28Å; I256-V360 WeakPolarHBondContact CA-O 3.48Å; I256-H362 HydrophobicContact CG2-CB 3.61Å; I256-F364 HydrophobicContact CG2-CE2 4.05Å; I256-F364 HydrophobicContact CG2-CZ 3.77Å
257	D	97.4	Very high	98.1	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148.4	177.3	-63.2	-49.7	0	0	0	110.4	Y266 G268 H359 V360 G361 H362	D257-Y266 HydrophobicContact CB-CD2 4.29Å; D257-Y266 HydrophobicContact CB-CE2 3.49Å; D257-Y266 VanDerWaalsContact CB-CE2 3.49Å; D257-Y266 PolarHBondContact OD2-OH 3.36Å; D257-G268 VanDerWaalsContact OD1-CA 3.28Å; D257-G268 WeakPolarHBondContact OD1-CA 3.3Å; D257-H359 IonicContact OD1-CE1 2.67Å; D257-H359 IonicContact OD1-ND1 3.75Å; D257-H359 PolarHBondContact OD1-ND1 3.22Å; D257-H359 WeakPolarHBondContact OD2-CB 3.16Å; D257-H359 IonicContact OD2-CE1 2.9Å; D257-H359 IonicContact OD2-CG 3.98Å; D257-H359 IonicContact OD2-ND1 3.95Å; D257-H359 PolarHBondContact OD2-ND1 3.31Å; D257-V360 PolarHBondContact N-O 2.63Å; D257-G361 CarbonylContact O-C 3.58Å; D257-G361 WeakPolarHBondContact O-CA 3.45Å; D257-H362 PolarHBondContact O-N 3.02Å
258	V	97.4	Very high	97.9	Very high	60 Å²	60	29.4 Å²	29.4	36%	0.364	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.3	177.4	177.9	0	0	0	0	109.8	L267 F364	V258-L267 HydrophobicContact CB-CB 4.25Å; V258-L267 HydrophobicContact CB-CD1 4.3Å; V258-L267 HydrophobicContact CG1-CD1 4.07Å; V258-L267 WeakPolarHBondContact O-CB 3.25Å; V258-L267 PolarHBondContact O-N 3.17Å; V258-F364 HydrophobicContact CB-CD2 4.23Å; V258-F364 HydrophobicContact CB-CE2 4.42Å; V258-F364 HydrophobicContact CG1-CD2 4.1Å; V258-F364 HydrophobicContact CG2-CD2 3.85Å; V258-F364 HydrophobicContact CG2-CE2 3.8Å
259	I	98.4	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.3	156.4	-60.9	170.6	0	0	0	106.9	E231 W261 F264 Q265 Y266 H362 V363	E231-I259 HydrophobicContact CB-CD1 3.82Å; E231-I259 HydrophobicContact CG-CD1 3.75Å; I259-W261 PolarHBondContact O-N 3.29Å; I259-F264 HydrophobicContact CG2-CB 4.45Å; I259-F264 HydrophobicContact CG2-CD1 4.17Å; I259-F264 HydrophobicContact CG2-CG 4.5Å; I259-Q265 WeakPolarHBondContact CA-O 3.16Å; I259-Y266 HydrophobicContact CG1-CD2 3.99Å; I259-H362 PolarHBondContact N-O 3.11Å; I259-V363 HydrophobicContact CB-CG2 3.9Å; I259-V363 HydrophobicContact CD1-CG2 4.36Å; I259-V363 HydrophobicContact CG2-CG2 3.84Å
260	D	98.2	Very high	97.1	Very high	42 Å²	42	28.4 Å²	28.4	23%	0.225	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	123.5	-178.2	178.7	-110.1	0	0	0	110.6	N262 T263 F264 Q265	D260-N262 PolarHBondContact O-N 2.84Å; D260-N262 VanDerWaalsContact O-N 3.11Å; D260-N262 PolarHBondContact OD1-N 2.94Å; D260-T263 WeakPolarHBondContact OD1-CB 3.42Å; D260-T263 PolarHBondContact OD1-N 3.38Å; D260-T263 PolarHBondContact OD1-OG1 3.29Å; D260-F264 WeakPolarHBondContact O-CA 3.39Å; D260-F264 PolarHBondContact O-N 2.99Å; D260-Q265 HydrophobicContact CB-CB 4.33Å; D260-Q265 PolarHBondContact N-O 2.91Å
261	W	97.5	Very high	96.7	Very high	54 Å²	54	30.4 Å²	30.4	21%	0.205	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.2	-175.1	64.9	-93.2	0	0	0	113.7	I97 I102 N103 I259 V363 F364 K366	I97-W261 HydrophobicContact CD1-CZ3 4.07Å; I97-W261 HydrophobicContact CG1-CZ3 4.11Å; I97-W261 HydrophobicContact CG2-CE3 4.46Å; I97-W261 HydrophobicContact CG2-CH2 4.35Å; I97-W261 HydrophobicContact CG2-CZ3 3.69Å; I102-W261 HydrophobicContact CG1-CB 4.37Å; N103-W261 WeakPolarHBondContact CB-O 3.39Å; N103-W261 PolarHBondContact N-O 3.23Å; I259-W261 PolarHBondContact O-N 3.29Å; W261-V363 HydrophobicContact CB-CG1 3.99Å; W261-F364 WeakPolarHBondContact CB-O 3.36Å; W261-K366 HydrophobicContact CD2-CB 3.85Å; W261-K366 HydrophobicContact CE3-CB 4.19Å; W261-K366 HydrophobicContact CG-CB 4.39Å; W261-K366 HydrophobicContact CH2-CB 4.34Å; W261-K366 HydrophobicContact CH2-CD 3.64Å; W261-K366 HydrophobicContact CH2-CG 4.16Å; W261-K366 HydrophobicContact CZ2-CB 3.97Å; W261-K366 HydrophobicContact CZ2-CD 3.69Å; W261-K366 HydrophobicContact CZ2-CG 3.72Å; W261-K366 HydrophobicContact CZ3-CB 4.42Å; W261-K366 HydrophobicContact CZ3-CD 4.2Å
262	N	97.1	Very high	96.4	Very high	58 Å²	58	34.2 Å²	34.2	31%	0.31	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-46.9	-176.3	-169.6	38.1	0	0	0	112.6	N103 D260	N103-N262 WeakPolarHBondContact CB-O 3.37Å; N103-N262 PolarHBondContact ND2-O 3.4Å; N103-N262 PolarHBondContact ND2-OD1 3.45Å; N103-N262 VanDerWaalsContact ND2-OD1 3.1Å; D260-N262 PolarHBondContact O-N 2.84Å; D260-N262 VanDerWaalsContact O-N 3.11Å; D260-N262 PolarHBondContact OD1-N 2.94Å
263	T	97.9	Very high	96.2	Very high	17 Å²	17	34.9 Å²	34.9	10%	0.104	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-8.7	-173.5	64.2	0	0	0	0	113.5	V81 D260 Q265	V81-T263 PolarHBondContact N-O 3.06Å; D260-T263 WeakPolarHBondContact OD1-CB 3.42Å; D260-T263 PolarHBondContact OD1-N 3.38Å; D260-T263 PolarHBondContact OD1-OG1 3.29Å; T263-Q265 PolarHBondContact O-N 2.83Å; T263-Q265 VanDerWaalsContact O-N 3.15Å
264	F	98.3	Very high	96	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.			trans	57.3	22.2	-174.9	-82.2	-105.8	0	0	0	114.2	I102 N103 V106 I110 R114 T150 I259 D260 Y266 V363	I102-F264 HydrophobicContact CG2-CE2 3.69Å; I102-F264 HydrophobicContact CG2-CZ 3.49Å; I102-F264 VanDerWaalsContact CG2-CZ 3.49Å; N103-F264 VanDerWaalsContact O-CE2 3.29Å; N103-F264 WeakPolarHBondContact O-CE2 3.2Å; V106-F264 HydrophobicContact CB-CD2 4.46Å; V106-F264 HydrophobicContact CG1-CB 4.48Å; V106-F264 HydrophobicContact CG1-CD2 3.99Å; I110-F264 HydrophobicContact CD1-CB 3.35Å; I110-F264 HydrophobicContact CD1-CD1 4.33Å; I110-F264 HydrophobicContact CD1-CG 3.84Å; R114-F264 PolarHBondContact NH1-O 2.99Å; R114-F264 PolarHBondContact NH2-O 3.4Å; T150-F264 HydrophobicContact CG2-CE1 4.12Å; T150-F264 HydrophobicContact CG2-CZ 4.06Å; I259-F264 HydrophobicContact CG2-CB 4.45Å; I259-F264 HydrophobicContact CG2-CD1 4.17Å; I259-F264 HydrophobicContact CG2-CG 4.5Å; D260-F264 WeakPolarHBondContact O-CA 3.39Å; D260-F264 PolarHBondContact O-N 2.99Å; F264-Y266 PolarHBondContact O-N 3.38Å; F264-V363 HydrophobicContact CE1-CG2 4.17Å
265	Q	98.4	Very high	95.9	Very high	72 Å²	72	39.7 Å²	39.7	34%	0.336	22%	0.218	S	C	.	.			trans	-65.6	131	172.2	-171.5	177	6.3	0	0	110.1	G78 A80 I259 D260 T263 L267	G78-Q265 WeakPolarHBondContact O-CA 3.24Å; A80-Q265 HydrophobicContact CB-CB 3.83Å; A80-Q265 HydrophobicContact CB-CG 4.08Å; I259-Q265 WeakPolarHBondContact CA-O 3.16Å; D260-Q265 HydrophobicContact CB-CB 4.33Å; D260-Q265 PolarHBondContact N-O 2.91Å; T263-Q265 PolarHBondContact O-N 2.83Å; T263-Q265 VanDerWaalsContact O-N 3.15Å; Q265-L267 HydrophobicContact CB-CD2 4.46Å; Q265-L267 VanDerWaalsContact CD-CD2 3.48Å; Q265-L267 HydrophobicContact CG-CD2 3.77Å; Q265-L267 HydrophobicContact CG-CG 4.35Å
266	Y	98.4	Very high	95.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.008	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-85.2	119.9	171.3	177.3	-118.4	0	0	0	109.9	G78 L116 R119 D257 I259 F264	G78-Y266 PolarHBondContact O-N 3.41Å; L116-Y266 HydrophobicContact CB-CD1 4.21Å; L116-Y266 HydrophobicContact CB-CE1 4.23Å; L116-Y266 HydrophobicContact CD1-CD1 4.49Å; L116-Y266 HydrophobicContact CD1-CD2 4.28Å; L116-Y266 HydrophobicContact CD1-CE1 4.33Å; L116-Y266 HydrophobicContact CD1-CE2 4.13Å; L116-Y266 HydrophobicContact CD1-CG 4.47Å; L116-Y266 HydrophobicContact CD2-CD1 4.33Å; L116-Y266 HydrophobicContact CD2-CD2 4.48Å; L116-Y266 HydrophobicContact CD2-CG 4.09Å; R119-Y266 HydrophobicContact CB-CE1 4Å; R119-Y266 HydrophobicContact CG-CD1 3.99Å; R119-Y266 HydrophobicContact CG-CE1 3.47Å; R119-Y266 VanDerWaalsContact CG-CE1 3.47Å; D257-Y266 HydrophobicContact CB-CD2 4.29Å; D257-Y266 HydrophobicContact CB-CE2 3.49Å; D257-Y266 VanDerWaalsContact CB-CE2 3.49Å; D257-Y266 PolarHBondContact OD2-OH 3.36Å; I259-Y266 HydrophobicContact CG1-CD2 3.99Å; F264-Y266 PolarHBondContact O-N 3.38Å
267	L	96.4	Very high	95.8	Very high	79 Å²	79	37.9 Å²	37.9	41%	0.414	21%	0.208	S	C	.	.			trans	-110.5	34.6	-172.9	-59.6	173.7	0	0	0	112.3	V258 Q265	V258-L267 HydrophobicContact CB-CB 4.25Å; V258-L267 HydrophobicContact CB-CD1 4.3Å; V258-L267 HydrophobicContact CG1-CD1 4.07Å; V258-L267 WeakPolarHBondContact O-CB 3.25Å; V258-L267 PolarHBondContact O-N 3.17Å; Q265-L267 HydrophobicContact CB-CD2 4.46Å; Q265-L267 VanDerWaalsContact CD-CD2 3.48Å; Q265-L267 HydrophobicContact CG-CD2 3.77Å; Q265-L267 HydrophobicContact CG-CG 4.35Å
268	G	93.2	Very high	95.7	Very high	5 Å²	5	37.6 Å²	37.6	5%	0.052	21%	0.207	C	C	.	.			trans	-66	151.3	170.5	0	0	0	0	0	112.2	R119 D257	R119-G268 VanDerWaalsContact CD-O 3.22Å; R119-G268 WeakPolarHBondContact CD-O 3.37Å; R119-G268 WeakPolarHBondContact CG-O 3.41Å; D257-G268 VanDerWaalsContact OD1-CA 3.28Å; D257-G268 WeakPolarHBondContact OD1-CA 3.3Å
269	N	90.9	Very high	95.6	Very high	82 Å²	82	34.8 Å²	34.8	44%	0.439	19%	0.19	S	C	.	.			trans	-142.1	150.8	179.3	74.4	89.8	0	0	0	112.4	R119 G271	R119-N269 CarbonylContact O-C 3.47Å; N269-G271 PolarHBondContact O-N 3.09Å; N269-G271 WeakPolarHBondContact OD1-CA 3.48Å; N269-G271 PolarHBondContact OD1-N 3.23Å; N269-G271 VanDerWaalsContact OD1-N 3.08Å
270	P	90.3	Very high	95.4	Very high	69 Å²	69	35.2 Å²	35.2	45%	0.448	19%	0.191	S	C	.	.	S	Bend	trans	-82.4	3.4	-176.1	34.3	-38.5	0	0	0	113.2	R119 W120	R119-P270 WeakPolarHBondContact O-CA 3.45Å; R119-P270 WeakPolarHBondContact O-CB 3.2Å; R119-P270 WeakPolarHBondContact O-CD 3.49Å; W120-P270 WeakPolarHBondContact O-CB 3.4Å
271	G	90.6	Very high	95.2	Very high	42 Å²	42	35.5 Å²	35.5	43%	0.433	19%	0.189	S	C	.	.	S	Bend	trans	-74.9	-180	-177.2	0	0	0	0	0	112.6	N269	N269-G271 PolarHBondContact O-N 3.09Å; N269-G271 WeakPolarHBondContact OD1-CA 3.48Å; N269-G271 PolarHBondContact OD1-N 3.23Å; N269-G271 VanDerWaalsContact OD1-N 3.08Å
272	E	92	Very high	95.1	Very high	80 Å²	80	33.3 Å²	33.3	37%	0.374	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-64.9	123.1	171.7	-171.7	71.3	-126	0	0	109.2	V289 R297 I304	E272-V289 HydrophobicContact CG-CB 4.15Å; E272-V289 HydrophobicContact CG-CG2 3.7Å; E272-R297 IonicContact OE1-CZ 3.94Å; E272-R297 IonicContact OE1-NH1 3.45Å; E272-R297 PolarHBondContact OE1-NH1 2.95Å; E272-R297 IonicContact OE1-NH2 3.99Å; E272-R297 IonicContact OE2-CZ 3.1Å; E272-R297 IonicContact OE2-NH1 3.85Å; E272-R297 PolarHBondContact OE2-NH1 3.36Å; E272-R297 IonicContact OE2-NH2 2.68Å; E272-I304 WeakPolarHBondContact OE1-CD1 3.35Å
273	P	94.5	Very high	95	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.091	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-70.7	161.8	-179.3	31.1	-36.9	0	0	0	111.4	V255 V289 I304 I354	V255-P273 HydrophobicContact CB-CB 4.42Å; V255-P273 HydrophobicContact CG1-CB 3.85Å; V255-P273 HydrophobicContact CG2-CB 3.73Å; V255-P273 HydrophobicContact CG2-CG 3.91Å; P273-V289 WeakPolarHBondContact O-CG2 3.45Å; P273-I304 HydrophobicContact CG-CD1 3.42Å; P273-I304 VanDerWaalsContact CG-CD1 3.42Å; P273-I354 HydrophobicContact CG-CG2 4.39Å
274	Q	94.8	Very high	94.8	Very high	107 Å²	107	35.3 Å²	35.3	50%	0.5	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-77.8	150.6	166.2	-64.9	-173.2	-47.4	0	0	110.4	W286 H287 I354	Q274-W286 HydrophobicContact CB-CB 4.15Å; Q274-W286 HydrophobicContact CB-CD2 4.34Å; Q274-W286 HydrophobicContact CB-CE3 3.73Å; Q274-W286 HydrophobicContact CB-CZ3 4.49Å; Q274-H287 CarbonylContact C-O 3.52Å; Q274-H287 WeakPolarHBondContact CA-O 3.46Å; Q274-I354 WeakPolarHBondContact O-CD1 3.27Å
275	I	96.8	Very high	94.6	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	161.4	173.3	59.1	170	0	0	0	110.8	W286 H287 V289 I304 I354	I275-W286 WeakPolarHBondContact O-CA 3.49Å; I275-H287 HydrophobicContact CG1-CB 4.48Å; I275-H287 WeakPolarHBondContact CG1-O 3.49Å; I275-H287 PolarHBondContact N-O 3.39Å; I275-H287 PolarHBondContact O-N 3.38Å; I275-V289 HydrophobicContact CG2-CG2 3.96Å; I275-I304 HydrophobicContact CG2-CB 4.38Å; I275-I304 HydrophobicContact CG2-CG2 3.54Å; I275-I354 HydrophobicContact CB-CD1 4.28Å; I275-I354 HydrophobicContact CG2-CD1 4Å
276	G	96.8	Very high	94.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.3	179.4	0	0	0	0	0	113.2	F284 S306 P307 T308	G276-F284 VanDerWaalsContact CA-CE2 3.46Å; G276-S306 PolarHBondContact N-OG 3.36Å; G276-S306 PolarHBondContact O-OG 3.03Å; G276-P307 WeakPolarHBondContact O-CB 3.29Å; G276-P307 WeakPolarHBondContact O-CD 3.22Å; G276-T308 WeakPolarHBondContact CA-O 3.39Å; G276-T308 WeakPolarHBondContact CA-OG1 3.41Å; G276-T308 PolarHBondContact O-N 3.02Å; G276-T308 PolarHBondContact O-OG1 3.23Å
277	G	96.4	Very high	94	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	-156.6	166.7	0	0	0	0	0	111.4	F284 T285 H287 T308	G277-F284 WeakPolarHBondContact O-CD2 3.49Å; G277-T285 PolarHBondContact N-O 3.03Å; G277-T285 PolarHBondContact O-N 3.23Å; G277-H287 PolarHBondContact N-CD2 3.42Å; G277-T308 WeakPolarHBondContact CA-OG1 3.24Å; G277-T308 PolarHBondContact N-OG1 3.04Å; G277-T308 PolarHBondContact O-OG1 3.01Å
278	F	96.3	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156.6	173.2	66.5	-76.5	0	0	0	109.8	L282 V283 T285 T308 L339 F343 F424 Y427 Y432 I435	F278-L282 HydrophobicContact CD2-CD2 3.9Å; F278-L282 HydrophobicContact CE2-CD2 4.15Å; F278-V283 WeakPolarHBondContact CA-O 3.47Å; F278-V283 WeakPolarHBondContact CB-O 3.49Å; F278-T285 WeakPolarHBondContact CA-OG1 3.45Å; F278-T285 PolarHBondContact N-OG1 2.89Å; F278-T308 HydrophobicContact CD1-CG2 3.78Å; F278-L339 HydrophobicContact CB-CD1 4.14Å; F278-L339 HydrophobicContact CB-CD2 3.87Å; F278-F343 AromaticContact CD1-CE1 3.97Å; F278-F343 HydrophobicContact CD1-CE1 3.97Å; F278-F343 HydrophobicContact CD1-CZ 4.12Å; F278-F343 HydrophobicContact CD2-CZ 4.36Å; F278-F343 AromaticContact CE1-CE1 3.69Å; F278-F343 HydrophobicContact CE1-CE1 3.69Å; F278-F343 AromaticContact CE1-CZ 3.94Å; F278-F343 HydrophobicContact CE1-CZ 3.94Å; F278-F343 HydrophobicContact CE2-CZ 4.23Å; F278-F343 HydrophobicContact CG-CZ 4.35Å; F278-F343 HydrophobicContact CZ-CE1 4.14Å; F278-F343 HydrophobicContact CZ-CZ 4.03Å; F278-F424 HydrophobicContact CE2-CZ 4.42Å; F278-F424 HydrophobicContact CZ-CE1 4.48Å; F278-F424 AromaticContact CZ-CZ 3.8Å; F278-F424 HydrophobicContact CZ-CZ 3.8Å; F278-Y427 AromaticContact CE1-CE1 3.94Å; F278-Y427 HydrophobicContact CE1-CE1 3.94Å; F278-Y427 HydrophobicContact CZ-CE1 4.46Å; F278-Y432 HydrophobicContact CD1-CD1 4.18Å; F278-Y432 HydrophobicContact CD1-CE1 4.12Å; F278-Y432 AromaticContact CE1-CD1 3.78Å; F278-Y432 HydrophobicContact CE1-CD1 3.78Å; F278-Y432 HydrophobicContact CE1-CE1 4.12Å; F278-I435 HydrophobicContact CE1-CD1 4.19Å; F278-I435 HydrophobicContact CE2-CD1 4.03Å; F278-I435 HydrophobicContact CZ-CD1 3.81Å
279	D	94.3	Very high	94	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.215	C	C	.	.			trans	-96.3	167.9	165.2	70.3	25	0	0	0	111.6	R281 L282 V283 T285 D501	D279-R281 PolarHBondContact O-N 2.93Å; D279-R281 WeakPolarHBondContact OD1-CA 3.46Å; D279-R281 VanDerWaalsContact OD1-CB 3.23Å; D279-R281 WeakPolarHBondContact OD1-CB 3.35Å; D279-R281 PolarHBondContact OD1-N 2.99Å; D279-R281 IonicContact OD1-NE 3.85Å; D279-R281 IonicContact OD2-CZ 3.38Å; D279-R281 IonicContact OD2-NE 3.75Å; D279-R281 PolarHBondContact OD2-NE 2.78Å; D279-R281 IonicContact OD2-NH2 2.68Å; D279-R281 PolarHBondContact OD2-NH2 2.76Å; D279-L282 WeakPolarHBondContact O-CA 3.41Å; D279-L282 PolarHBondContact O-N 2.85Å; D279-V283 PolarHBondContact N-O 2.84Å; D279-V283 PolarHBondContact OD1-N 2.86Å; D279-T285 HydrophobicContact CB-CG2 4.5Å; D279-D501 HydrophobicContact CB-CB 3.96Å
280	W	95.2	Very high	94.2	Very high	9 Å²	9	36.3 Å²	36.3	3%	0.034	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	2.8	-178.8	-67.7	104.2	0	0	0	114.7	M387 Y390 L393 F394 F424 L428 I435 F436 V437 P438	W280-M387 HydrophobicContact CE3-CE 4.26Å; W280-M387 HydrophobicContact CZ3-CE 3.93Å; W280-Y390 HydrophobicContact CH2-CD1 4.18Å; W280-L393 HydrophobicContact CD2-CB 4.25Å; W280-L393 HydrophobicContact CD2-CD1 4.27Å; W280-L393 HydrophobicContact CE3-CB 3.74Å; W280-L393 HydrophobicContact CE3-CD1 3.95Å; W280-L393 HydrophobicContact CE3-CG 4.48Å; W280-L393 HydrophobicContact CH2-CD1 3.75Å; W280-L393 HydrophobicContact CZ2-CD1 4.08Å; W280-L393 HydrophobicContact CZ3-CB 4.13Å; W280-L393 HydrophobicContact CZ3-CD1 3.69Å; W280-L393 HydrophobicContact CZ3-CG 4.46Å; W280-F394 VanDerWaalsContact O-CA 3.23Å; W280-F394 WeakPolarHBondContact O-CA 3.24Å; W280-F424 HydrophobicContact CH2-CE1 4.31Å; W280-F424 HydrophobicContact CZ3-CE1 4.3Å; W280-L428 HydrophobicContact CH2-CD1 4.09Å; W280-L428 HydrophobicContact CH2-CD2 4.25Å; W280-I435 HydrophobicContact CZ2-CD1 4.08Å; W280-F436 PolarHBondContact NE1-O 2.99Å; W280-V437 HydrophobicContact CH2-CG1 4.37Å; W280-V437 HydrophobicContact CZ2-CB 4.28Å; W280-V437 HydrophobicContact CZ2-CG1 4.08Å; W280-V437 HydrophobicContact CZ2-CG2 4.12Å; W280-P438 HydrophobicContact CG-CG 4.36Å
281	R	93.6	Very high	94.3	Very high	47 Å²	47	39.8 Å²	39.8	18%	0.177	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	3.2	165.7	-52.6	171.9	-67.1	173.5	4	112	D279 V283 F394 R397 T499	D279-R281 PolarHBondContact O-N 2.93Å; D279-R281 WeakPolarHBondContact OD1-CA 3.46Å; D279-R281 VanDerWaalsContact OD1-CB 3.23Å; D279-R281 WeakPolarHBondContact OD1-CB 3.35Å; D279-R281 PolarHBondContact OD1-N 2.99Å; D279-R281 IonicContact OD1-NE 3.85Å; D279-R281 IonicContact OD2-CZ 3.38Å; D279-R281 IonicContact OD2-NE 3.75Å; D279-R281 PolarHBondContact OD2-NE 2.78Å; D279-R281 IonicContact OD2-NH2 2.68Å; D279-R281 PolarHBondContact OD2-NH2 2.76Å; R281-V283 VanDerWaalsContact C-N 3.3Å; R281-V283 HydrophobicContact CB-CG2 4.09Å; R281-F394 WeakPolarHBondContact O-CE2 3.29Å; R281-R397 HydrophobicContact CG-CB 4.39Å; R281-T499 HydrophobicContact CG-CG2 4.03Å; R281-T499 WeakPolarHBondContact CG-O 3.26Å
282	L	95.8	Very high	94.4	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.047	21%	0.205	C	C	.	.	S	Bend	trans	57.8	43.1	-171.2	-60.3	-179.2	0	0	0	112.4	F278 D279 L339 F343 A383 M387 F394	F278-L282 HydrophobicContact CD2-CD2 3.9Å; F278-L282 HydrophobicContact CE2-CD2 4.15Å; D279-L282 WeakPolarHBondContact O-CA 3.41Å; D279-L282 PolarHBondContact O-N 2.85Å; L282-L339 HydrophobicContact CB-CD1 4.04Å; L282-L339 HydrophobicContact CD2-CD1 4.49Å; L282-L339 VanDerWaalsContact O-CD1 3.23Å; L282-L339 WeakPolarHBondContact O-CD1 3.5Å; L282-F343 HydrophobicContact CD2-CE2 4.45Å; L282-F343 HydrophobicContact CD2-CZ 4.44Å; L282-A383 HydrophobicContact CD1-CB 3.87Å; L282-M387 HydrophobicContact CD1-SD 3.68Å; L282-M387 HydrophobicContact CD2-CE 3.89Å; L282-M387 HydrophobicContact CD2-SD 3.6Å; L282-M387 HydrophobicContact CG-SD 4.17Å; L282-F394 HydrophobicContact CB-CD2 4.12Å; L282-F394 HydrophobicContact CB-CE2 4.14Å; L282-F394 HydrophobicContact CD1-CB 4.3Å; L282-F394 HydrophobicContact CD1-CD1 3.91Å; L282-F394 HydrophobicContact CD1-CD2 3.81Å; L282-F394 HydrophobicContact CD1-CE1 4.12Å; L282-F394 HydrophobicContact CD1-CE2 4.04Å; L282-F394 HydrophobicContact CD1-CG 3.73Å; L282-F394 HydrophobicContact CD1-CZ 4.18Å; L282-F394 HydrophobicContact CG-CB 4.26Å; L282-F394 HydrophobicContact CG-CD2 3.64Å; L282-F394 HydrophobicContact CG-CE2 4.08Å; L282-F394 HydrophobicContact CG-CG 3.92Å
283	V	93.6	Very high	94.7	Very high	70 Å²	70	38.6 Å²	38.6	42%	0.424	19%	0.189	S	C	.	.			trans	-106.4	133.1	170.1	-178.7	0	0	0	0	108.5	F278 D279 R281	F278-V283 WeakPolarHBondContact CA-O 3.47Å; F278-V283 WeakPolarHBondContact CB-O 3.49Å; D279-V283 PolarHBondContact N-O 2.84Å; D279-V283 PolarHBondContact OD1-N 2.86Å; R281-V283 VanDerWaalsContact C-N 3.3Å; R281-V283 HydrophobicContact CB-CG2 4.09Å
284	F	94.7	Very high	94.7	Very high	46 Å²	46	42.6 Å²	42.6	20%	0.202	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139.3	175.6	172.6	-89.7	0	0	0	111.4	G276 G277 W286 T308 M309 A310 L339	G276-F284 VanDerWaalsContact CA-CE2 3.46Å; G277-F284 WeakPolarHBondContact O-CD2 3.49Å; F284-W286 AromaticContact CE1-CD1 3.9Å; F284-W286 AromaticContact CE1-CD2 3.8Å; F284-W286 HydrophobicContact CE1-CD2 3.8Å; F284-W286 AromaticContact CE1-CE2 3.53Å; F284-W286 HydrophobicContact CE1-CE3 4.46Å; F284-W286 HydrophobicContact CE1-CG 4.04Å; F284-W286 AromaticContact CE1-CZ2 3.97Å; F284-W286 HydrophobicContact CE1-CZ2 3.97Å; F284-W286 AromaticContact CE1-NE1 3.59Å; F284-W286 AromaticContact CZ-CD2 3.85Å; F284-W286 HydrophobicContact CZ-CD2 3.85Å; F284-W286 AromaticContact CZ-CE2 3.82Å; F284-W286 HydrophobicContact CZ-CE3 4.04Å; F284-W286 HydrophobicContact CZ-CG 4.42Å; F284-W286 HydrophobicContact CZ-CH2 4.19Å; F284-W286 AromaticContact CZ-CZ2 3.99Å; F284-W286 HydrophobicContact CZ-CZ2 3.99Å; F284-W286 HydrophobicContact CZ-CZ3 4.21Å; F284-T308 WeakPolarHBondContact CD2-OG1 3.31Å; F284-T308 WeakPolarHBondContact CE2-OG1 3.41Å; F284-M309 WeakPolarHBondContact CD2-O 3.38Å; F284-M309 WeakPolarHBondContact CE2-O 3.4Å; F284-A310 HydrophobicContact CE1-CB 4.18Å; F284-A310 HydrophobicContact CE2-CB 4.34Å; F284-A310 HydrophobicContact CZ-CB 3.91Å; F284-L339 HydrophobicContact CB-CD2 4.49Å
285	T	93.2	Very high	94.7	Very high	26 Å²	26	45.5 Å²	45.5	16%	0.16	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.3	-180	46.1	0	0	0	0	110.4	G277 F278 D279 H287	G277-T285 PolarHBondContact N-O 3.03Å; G277-T285 PolarHBondContact O-N 3.23Å; F278-T285 WeakPolarHBondContact CA-OG1 3.45Å; F278-T285 PolarHBondContact N-OG1 2.89Å; D279-T285 HydrophobicContact CB-CG2 4.5Å; T285-H287 WeakPolarHBondContact CB-NE2 3.37Å; T285-H287 PolarHBondContact OG1-CE1 2.81Å; T285-H287 VanDerWaalsContact OG1-CE1 3.32Å; T285-H287 PolarHBondContact OG1-NE2 2.82Å
286	W	93	Very high	94.7	Very high	90 Å²	90	49 Å²	49	34%	0.341	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.5	174.4	-69.2	107.4	0	0	0	110.4	I256 Q274 I275 F284 A310	I256-W286 HydrophobicContact CB-CH2 4.42Å; I256-W286 HydrophobicContact CD1-CH2 4.31Å; Q274-W286 HydrophobicContact CB-CB 4.15Å; Q274-W286 HydrophobicContact CB-CD2 4.34Å; Q274-W286 HydrophobicContact CB-CE3 3.73Å; Q274-W286 HydrophobicContact CB-CZ3 4.49Å; I275-W286 WeakPolarHBondContact O-CA 3.49Å; F284-W286 AromaticContact CE1-CD1 3.9Å; F284-W286 AromaticContact CE1-CD2 3.8Å; F284-W286 HydrophobicContact CE1-CD2 3.8Å; F284-W286 AromaticContact CE1-CE2 3.53Å; F284-W286 HydrophobicContact CE1-CE3 4.46Å; F284-W286 HydrophobicContact CE1-CG 4.04Å; F284-W286 AromaticContact CE1-CZ2 3.97Å; F284-W286 HydrophobicContact CE1-CZ2 3.97Å; F284-W286 AromaticContact CE1-NE1 3.59Å; F284-W286 AromaticContact CZ-CD2 3.85Å; F284-W286 HydrophobicContact CZ-CD2 3.85Å; F284-W286 AromaticContact CZ-CE2 3.82Å; F284-W286 HydrophobicContact CZ-CE3 4.04Å; F284-W286 HydrophobicContact CZ-CG 4.42Å; F284-W286 HydrophobicContact CZ-CH2 4.19Å; F284-W286 AromaticContact CZ-CZ2 3.99Å; F284-W286 HydrophobicContact CZ-CZ2 3.99Å; F284-W286 HydrophobicContact CZ-CZ3 4.21Å; W286-A310 HydrophobicContact CH2-CB 4.22Å; W286-A310 HydrophobicContact CZ2-CB 4.04Å
287	H	91.3	Very high	94.7	Very high	27 Å²	27	50.2 Å²	50.2	13%	0.125	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.9	178.8	-54.7	-79.7	0	0	0	111.3	Q274 I275 G277 T285 Y432 D501	Q274-H287 CarbonylContact C-O 3.52Å; Q274-H287 WeakPolarHBondContact CA-O 3.46Å; I275-H287 HydrophobicContact CG1-CB 4.48Å; I275-H287 WeakPolarHBondContact CG1-O 3.49Å; I275-H287 PolarHBondContact N-O 3.39Å; I275-H287 PolarHBondContact O-N 3.38Å; G277-H287 PolarHBondContact N-CD2 3.42Å; T285-H287 WeakPolarHBondContact CB-NE2 3.37Å; T285-H287 PolarHBondContact OG1-CE1 2.81Å; T285-H287 VanDerWaalsContact OG1-CE1 3.32Å; T285-H287 PolarHBondContact OG1-NE2 2.82Å; H287-Y432 PolarHBondContact CD2-OH 3.29Å; H287-Y432 VanDerWaalsContact CD2-OH 3.24Å; H287-Y432 PolarHBondContact CE1-OH 3.38Å; H287-Y432 PolarHBondContact NE2-OH 3.28Å; H287-D501 IonicContact CE1-OD2 2.71Å; H287-D501 PolarHBondContact CE1-OD2 2.91Å; H287-D501 IonicContact ND1-OD2 3.42Å
288	P	94.4	Very high	94.7	Very high	99 Å²	99	59.1 Å²	59.1	64%	0.643	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-64.7	153.5	168.1	29.3	-35	0	0	0	110.9	P290	P288-P290 WeakPolarHBondContact O-CD 3.33Å
289	V	95.8	Very high	94.6	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.036	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65.1	122.3	176.3	-174.5	0	0	0	0	110	E272 P273 I275 E293 Q294 I304	E272-V289 HydrophobicContact CG-CB 4.15Å; E272-V289 HydrophobicContact CG-CG2 3.7Å; P273-V289 WeakPolarHBondContact O-CG2 3.45Å; I275-V289 HydrophobicContact CG2-CG2 3.96Å; V289-E293 HydrophobicContact CG1-CB 3.93Å; V289-E293 HydrophobicContact CG1-CG 3.78Å; V289-Q294 HydrophobicContact CB-CG 4.21Å; V289-Q294 HydrophobicContact CG1-CG 3.8Å; V289-Q294 PolarHBondContact O-NE2 2.59Å; V289-I304 HydrophobicContact CG1-CG2 3.82Å; V289-I304 HydrophobicContact CG2-CD1 4.23Å; V289-I304 HydrophobicContact CG2-CG2 3.95Å
290	P	94.2	Very high	94.6	Very high	14 Å²	14	63.4 Å²	63.4	9%	0.091	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70.5	155	-177.7	28.8	-34.9	0	0	0	111.7	P288 Y292 E293 Q294 D434	P288-P290 WeakPolarHBondContact O-CD 3.33Å; P290-Y292 VanDerWaalsContact C-N 3.27Å; P290-Y292 HydrophobicContact CB-CD1 3.8Å; P290-Y292 HydrophobicContact CB-CE1 3.42Å; P290-Y292 VanDerWaalsContact CB-CE1 3.42Å; P290-Y292 HydrophobicContact CG-CD1 4.06Å; P290-Y292 HydrophobicContact CG-CE1 3.39Å; P290-Y292 HydrophobicContact CG-CE2 4.01Å; P290-Y292 WeakPolarHBondContact CG-OH 3.41Å; P290-Y292 PolarHBondContact O-N 3.08Å; P290-E293 HydrophobicContact CG-CB 4.06Å; P290-E293 PolarHBondContact O-N 3.29Å; P290-Q294 PolarHBondContact O-N 3.4Å; P290-D434 WeakPolarHBondContact CB-OD2 3.29Å
291	Q	93.1	Very high	94.7	Very high	141 Å²	141	63.7 Å²	63.7	66%	0.659	31%	0.307	S	S	*	.	H	α-helix	trans	-59.6	-33.8	-173.4	-67.6	-177.4	4.9	0	0	113.7	E293 Q294 K295	Q291-E293 VanDerWaalsContact C-N 3.3Å; Q291-E293 PolarHBondContact O-N 2.84Å; Q291-Q294 PolarHBondContact O-N 3.04Å; Q291-K295 WeakPolarHBondContact O-CB 3.05Å; Q291-K295 VanDerWaalsContact O-CG 3.29Å; Q291-K295 WeakPolarHBondContact O-CG 3.28Å; Q291-K295 PolarHBondContact O-N 3.34Å
292	Y	93.6	Very high	94.9	Very high	92 Å²	92	63.7 Å²	63.7	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-35	178.6	66	-100.2	0	0	0	111.8	P290 R296 P433 D434	P290-Y292 VanDerWaalsContact C-N 3.27Å; P290-Y292 HydrophobicContact CB-CD1 3.8Å; P290-Y292 HydrophobicContact CB-CE1 3.42Å; P290-Y292 VanDerWaalsContact CB-CE1 3.42Å; P290-Y292 HydrophobicContact CG-CD1 4.06Å; P290-Y292 HydrophobicContact CG-CE1 3.39Å; P290-Y292 HydrophobicContact CG-CE2 4.01Å; P290-Y292 WeakPolarHBondContact CG-OH 3.41Å; P290-Y292 PolarHBondContact O-N 3.08Å; Y292-R296 PolarHBondContact O-N 3.06Å; Y292-P433 HydrophobicContact CE1-CG 3.91Å; Y292-D434 WeakPolarHBondContact CE1-OD1 2.95Å
293	E	96.7	Very high	95	Very high	5 Å²	5	64.2 Å²	64.2	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-76.8	-37.7	178.3	178.7	58	-165.9	0	0	110.7	V289 P290 Q291 K295 R296 R297 I304 R305	V289-E293 HydrophobicContact CG1-CB 3.93Å; V289-E293 HydrophobicContact CG1-CG 3.78Å; P290-E293 HydrophobicContact CG-CB 4.06Å; P290-E293 PolarHBondContact O-N 3.29Å; Q291-E293 VanDerWaalsContact C-N 3.3Å; Q291-E293 PolarHBondContact O-N 2.84Å; E293-K295 VanDerWaalsContact C-N 3.32Å; E293-K295 PolarHBondContact O-N 3.29Å; E293-R296 VanDerWaalsContact CD-NE 3.34Å; E293-R296 WeakPolarHBondContact O-CB 3.05Å; E293-R296 PolarHBondContact O-N 3.29Å; E293-R296 IonicContact OE1-CZ 3.75Å; E293-R296 VanDerWaalsContact OE1-CZ 3.32Å; E293-R296 IonicContact OE1-NE 3.32Å; E293-R296 PolarHBondContact OE1-NE 2.68Å; E293-R296 VanDerWaalsContact OE1-NE 3.1Å; E293-R296 IonicContact OE1-NH2 3.41Å; E293-R296 PolarHBondContact OE1-NH2 3.45Å; E293-R296 WeakPolarHBondContact OE2-CD 3.5Å; E293-R296 IonicContact OE2-CZ 2.74Å; E293-R296 IonicContact OE2-NE 3.85Å; E293-R296 PolarHBondContact OE2-NE 2.89Å; E293-R296 IonicContact OE2-NH2 2.68Å; E293-R297 PolarHBondContact O-N 2.71Å; E293-I304 HydrophobicContact CG-CG2 3.78Å; E293-I304 WeakPolarHBondContact OE1-CA 3.38Å; E293-R305 PolarHBondContact OE1-N 3.28Å
294	Q	94.9	Very high	95.2	Very high	98 Å²	98	60.9 Å²	60.9	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-43.3	171	-65.7	-172.5	30.2	0	0	111.7	V289 P290 Q291 R296 R297	V289-Q294 HydrophobicContact CB-CG 4.21Å; V289-Q294 HydrophobicContact CG1-CG 3.8Å; V289-Q294 PolarHBondContact O-NE2 2.59Å; P290-Q294 PolarHBondContact O-N 3.4Å; Q291-Q294 PolarHBondContact O-N 3.04Å; Q294-R296 VanDerWaalsContact C-N 3.27Å; Q294-R296 PolarHBondContact O-N 2.74Å; Q294-R297 PolarHBondContact O-N 2.89Å
295	K	95.9	Very high	95.4	Very high	169 Å²	169	64.5 Å²	64.5	74%	0.735	31%	0.306	S	S	*	.	H	α-helix	trans	-67.6	-23.5	177.8	-73.8	173.4	-177.8	176.1	0	113.9	Q291 E293 R297	Q291-K295 WeakPolarHBondContact O-CB 3.05Å; Q291-K295 VanDerWaalsContact O-CG 3.29Å; Q291-K295 WeakPolarHBondContact O-CG 3.28Å; Q291-K295 PolarHBondContact O-N 3.34Å; E293-K295 VanDerWaalsContact C-N 3.32Å; E293-K295 PolarHBondContact O-N 3.29Å; K295-R297 VanDerWaalsContact C-N 3.34Å
296	R	96.6	Very high	95.7	Very high	80 Å²	80	63.3 Å²	63.3	30%	0.302	30%	0.299	S	S	.	.	H	α-helix	trans	-73.9	-28.5	177.4	-169.8	-162.5	62.4	69.7	-1.6	111.9	Y292 E293 Q294 V303	Y292-R296 PolarHBondContact O-N 3.06Å; E293-R296 VanDerWaalsContact CD-NE 3.34Å; E293-R296 WeakPolarHBondContact O-CB 3.05Å; E293-R296 PolarHBondContact O-N 3.29Å; E293-R296 IonicContact OE1-CZ 3.75Å; E293-R296 VanDerWaalsContact OE1-CZ 3.32Å; E293-R296 IonicContact OE1-NE 3.32Å; E293-R296 PolarHBondContact OE1-NE 2.68Å; E293-R296 VanDerWaalsContact OE1-NE 3.1Å; E293-R296 IonicContact OE1-NH2 3.41Å; E293-R296 PolarHBondContact OE1-NH2 3.45Å; E293-R296 WeakPolarHBondContact OE2-CD 3.5Å; E293-R296 IonicContact OE2-CZ 2.74Å; E293-R296 IonicContact OE2-NE 3.85Å; E293-R296 PolarHBondContact OE2-NE 2.89Å; E293-R296 IonicContact OE2-NH2 2.68Å; Q294-R296 VanDerWaalsContact C-N 3.27Å; Q294-R296 PolarHBondContact O-N 2.74Å; R296-V303 PolarHBondContact NH2-O 3.03Å
297	R	96.1	Very high	95.9	Very high	25 Å²	25	59.2 Å²	59.2	9%	0.094	28%	0.284	C	S	.	.			trans	-83.6	140.2	-176.4	-67	166.8	66.4	-141.1	1.6	109.9	E272 E293 Q294 K295 P300 D302 I304	E272-R297 IonicContact OE1-CZ 3.94Å; E272-R297 IonicContact OE1-NH1 3.45Å; E272-R297 PolarHBondContact OE1-NH1 2.95Å; E272-R297 IonicContact OE1-NH2 3.99Å; E272-R297 IonicContact OE2-CZ 3.1Å; E272-R297 IonicContact OE2-NH1 3.85Å; E272-R297 PolarHBondContact OE2-NH1 3.36Å; E272-R297 IonicContact OE2-NH2 2.68Å; E293-R297 PolarHBondContact O-N 2.71Å; Q294-R297 PolarHBondContact O-N 2.89Å; K295-R297 VanDerWaalsContact C-N 3.34Å; R297-P300 VanDerWaalsContact NH2-C 3.25Å; R297-P300 PolarHBondContact NH2-O 3.37Å; R297-D302 HydrophobicContact CB-CB 4.09Å; R297-D302 HydrophobicContact CG-CB 4.02Å; R297-D302 PolarHBondContact NE-O 2.89Å; R297-D302 PolarHBondContact NH2-O 3.21Å; R297-D302 VanDerWaalsContact NH2-O 3.16Å; R297-I304 VanDerWaalsContact CZ-CG1 3.47Å
298	H	95.6	Very high	96.3	Very high	187 Å²	187	58 Å²	58	87%	0.866	28%	0.278	S	S	*	.	S	Bend	trans	-91.3	-27.8	175.4	-56.5	91.1	0	0	0	111.3	D302	H298-D302 WeakPolarHBondContact CA-OD2 3.22Å; H298-D302 PolarHBondContact N-OD2 2.97Å; H298-D302 IonicContact ND1-OD2 3.86Å
299	S	95.4	Very high	96.4	Very high	30 Å²	30	53.5 Å²	53.5	21%	0.21	25%	0.248	C	C	.	.	S	Bend	trans	-135	149.5	-178.4	176.4	0	0	0	0	111.6	T301 D302	S299-T301 PolarHBondContact O-N 3.06Å; S299-T301 VanDerWaalsContact O-N 3.08Å; S299-T301 PolarHBondContact OG-N 3.27Å; S299-T301 VanDerWaalsContact OG-N 3.14Å; S299-T301 PolarHBondContact OG-OG1 3.45Å; S299-D302 PolarHBondContact N-OD2 2.9Å; S299-D302 WeakPolarHBondContact O-CB 3.38Å; S299-D302 PolarHBondContact O-N 3.25Å
300	P	95	Very high	96.3	Very high	62 Å²	62	54.8 Å²	54.8	40%	0.403	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.5	167	-23.6	34.5	0	0	0	114.3	L123 R297 P356	L123-P300 HydrophobicContact CD1-CG 4.46Å; R297-P300 VanDerWaalsContact NH2-C 3.25Å; R297-P300 PolarHBondContact NH2-O 3.37Å; P300-P356 WeakPolarHBondContact O-CB 3.45Å
301	T	95.9	Very high	95.9	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.086	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.6	176.2	59.2	0	0	0	0	113.6	L123 S299	L123-T301 HydrophobicContact CB-CG2 3.54Å; S299-T301 PolarHBondContact O-N 3.06Å; S299-T301 VanDerWaalsContact O-N 3.08Å; S299-T301 PolarHBondContact OG-N 3.27Å; S299-T301 VanDerWaalsContact OG-N 3.14Å; S299-T301 PolarHBondContact OG-OG1 3.45Å
302	D	97.7	Very high	95.5	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	23%	0.229	S	C	.	.	S	Bend	trans	-67.7	144	178.4	-68.9	-13.1	0	0	0	110.5	R297 H298 S299 P356	R297-D302 HydrophobicContact CB-CB 4.09Å; R297-D302 HydrophobicContact CG-CB 4.02Å; R297-D302 PolarHBondContact NE-O 2.89Å; R297-D302 PolarHBondContact NH2-O 3.21Å; R297-D302 VanDerWaalsContact NH2-O 3.16Å; H298-D302 WeakPolarHBondContact CA-OD2 3.22Å; H298-D302 PolarHBondContact N-OD2 2.97Å; H298-D302 IonicContact ND1-OD2 3.86Å; S299-D302 PolarHBondContact N-OD2 2.9Å; S299-D302 WeakPolarHBondContact O-CB 3.38Å; S299-D302 PolarHBondContact O-N 3.25Å; D302-P356 WeakPolarHBondContact O-CD 3.12Å; D302-P356 WeakPolarHBondContact O-CG 3.41Å
303	V	98.1	Very high	95.7	Very high	19 Å²	19	43.7 Å²	43.7	12%	0.115	21%	0.213	C	C	.	.			trans	-54.5	146.1	173.5	-64.3	0	0	0	0	112	R243 R296 E353 I354 H355	R243-V303 HydrophobicContact CG-CG1 4Å; R296-V303 PolarHBondContact NH2-O 3.03Å; V303-E353 HydrophobicContact CB-CB 4.28Å; V303-I354 WeakPolarHBondContact CA-O 3.37Å; V303-H355 HydrophobicContact CG1-CB 4.3Å; V303-H355 VanDerWaalsContact CG1-CD2 3.48Å; V303-H355 WeakPolarHBondContact CG1-CD2 3.43Å
304	I	98.5	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	-179	-53.8	158.5	0	0	0	108.3	E272 P273 I275 V289 E293 R297 S306 E353 I354 P356	E272-I304 WeakPolarHBondContact OE1-CD1 3.35Å; P273-I304 HydrophobicContact CG-CD1 3.42Å; P273-I304 VanDerWaalsContact CG-CD1 3.42Å; I275-I304 HydrophobicContact CG2-CB 4.38Å; I275-I304 HydrophobicContact CG2-CG2 3.54Å; V289-I304 HydrophobicContact CG1-CG2 3.82Å; V289-I304 HydrophobicContact CG2-CD1 4.23Å; V289-I304 HydrophobicContact CG2-CG2 3.95Å; E293-I304 HydrophobicContact CG-CG2 3.78Å; E293-I304 WeakPolarHBondContact OE1-CA 3.38Å; R297-I304 VanDerWaalsContact CZ-CG1 3.47Å; I304-S306 PolarHBondContact O-N 3.27Å; I304-E353 CarbonylContact O-C 3.49Å; I304-E353 VanDerWaalsContact O-CA 3.24Å; I304-E353 WeakPolarHBondContact O-CA 3.5Å; I304-I354 PolarHBondContact N-O 3.02Å; I304-I354 PolarHBondContact O-N 3.37Å; I304-P356 HydrophobicContact CD1-CG 3.73Å; I304-P356 HydrophobicContact CG1-CG 4.05Å
305	R	98.6	Very high	96	Very high	123 Å²	123	38.9 Å²	38.9	46%	0.464	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130	174.3	-66.6	177.3	176	175.9	-0.2	109.9	E293 W346	E293-R305 PolarHBondContact OE1-N 3.28Å; R305-W346 HydrophobicContact CB-CH2 4.06Å; R305-W346 HydrophobicContact CB-CZ2 4.24Å; R305-W346 HydrophobicContact CG-CH2 4.06Å
306	S	98.5	Very high	96.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	16%	0.155	C	C	.	.			trans	-119.5	124.9	-177.7	-169.4	0	0	0	0	110.5	G276 I304 T308 W346 L352	G276-S306 PolarHBondContact N-OG 3.36Å; G276-S306 PolarHBondContact O-OG 3.03Å; I304-S306 PolarHBondContact O-N 3.27Å; S306-T308 WeakPolarHBondContact CB-O 2.87Å; S306-T308 PolarHBondContact O-N 2.79Å; S306-T308 PolarHBondContact OG-O 2.78Å; S306-W346 PolarHBondContact O-NE1 2.86Å; S306-L352 PolarHBondContact N-O 3.33Å
307	P	98.4	Very high	96.3	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.026	15%	0.146	C	C	.	.	S	Bend	trans	-54.2	-41	176.4	-28.4	33.4	0	0	0	113.6	G276 W346 Y427 V431 Y432	G276-P307 WeakPolarHBondContact O-CB 3.29Å; G276-P307 WeakPolarHBondContact O-CD 3.22Å; P307-W346 PolarHBondContact O-NE1 3.46Å; P307-Y427 VanDerWaalsContact C-OH 3.32Å; P307-Y427 PolarHBondContact O-OH 3.17Å; P307-V431 HydrophobicContact CB-CG1 4.44Å; P307-Y432 HydrophobicContact CB-CD1 3.88Å; P307-Y432 HydrophobicContact CB-CD2 4.2Å; P307-Y432 HydrophobicContact CB-CE1 4.42Å; P307-Y432 HydrophobicContact CB-CG 3.76Å; P307-Y432 HydrophobicContact CG-CD1 4.25Å; P307-Y432 HydrophobicContact CG-CD2 3.65Å; P307-Y432 HydrophobicContact CG-CE2 4.11Å; P307-Y432 HydrophobicContact CG-CG 3.73Å
308	T	98.5	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-136.5	172.6	177.8	73.8	0	0	0	0	112	G276 G277 F278 F284 S306 L339 S342 F343	G276-T308 WeakPolarHBondContact CA-O 3.39Å; G276-T308 WeakPolarHBondContact CA-OG1 3.41Å; G276-T308 PolarHBondContact O-N 3.02Å; G276-T308 PolarHBondContact O-OG1 3.23Å; G277-T308 WeakPolarHBondContact CA-OG1 3.24Å; G277-T308 PolarHBondContact N-OG1 3.04Å; G277-T308 PolarHBondContact O-OG1 3.01Å; F278-T308 HydrophobicContact CD1-CG2 3.78Å; F284-T308 WeakPolarHBondContact CD2-OG1 3.31Å; F284-T308 WeakPolarHBondContact CE2-OG1 3.41Å; S306-T308 WeakPolarHBondContact CB-O 2.87Å; S306-T308 PolarHBondContact O-N 2.79Å; S306-T308 PolarHBondContact OG-O 2.78Å; T308-L339 HydrophobicContact CG2-CD2 3.73Å; T308-S342 VanDerWaalsContact CA-OG 3.3Å; T308-S342 WeakPolarHBondContact CA-OG 3.34Å; T308-F343 HydrophobicContact CG2-CE1 4.37Å
309	M	97.4	Very high	96.5	Very high	5 Å²	5	24 Å²	24	3%	0.025	14%	0.138	C	C	.	.			trans	-117.3	153.6	171.7	63.4	-178.3	98.2	0	0	110.9	V251 F284 G311 F314 N338 F341 S342 I345 L352	V251-M309 HydrophobicContact CG1-CE 4.36Å; F284-M309 WeakPolarHBondContact CD2-O 3.38Å; F284-M309 WeakPolarHBondContact CE2-O 3.4Å; M309-G311 PolarHBondContact O-N 2.77Å; M309-F314 HydrophobicContact SD-CD1 4.15Å; M309-F314 HydrophobicContact SD-CG 4.44Å; M309-N338 HydrophobicContact CG-CB 4.28Å; M309-N338 WeakPolarHBondContact O-CB 3.42Å; M309-N338 PolarHBondContact O-ND2 2.88Å; M309-F341 HydrophobicContact CE-CB 4.25Å; M309-F341 HydrophobicContact CE-CD1 3.36Å; M309-F341 HydrophobicContact CE-CE1 3.95Å; M309-F341 HydrophobicContact CE-CG 4Å; M309-F341 HydrophobicContact SD-CD1 4.11Å; M309-S342 PolarHBondContact N-OG 2.84Å; M309-I345 HydrophobicContact CE-CD1 3.38Å; M309-L352 HydrophobicContact CB-CD1 4.22Å; M309-L352 HydrophobicContact CB-CD2 3.97Å; M309-L352 HydrophobicContact CE-CD1 3.72Å; M309-L352 HydrophobicContact CE-CD2 3.99Å; M309-L352 HydrophobicContact CG-CD2 4.37Å
310	A	92.9	Very high	96.7	Very high	34 Å²	34	23.1 Å²	23.1	28%	0.281	13%	0.13	S	C	.	.			trans	-62.4	-30.7	168.5	0	0	0	0	0	111.7	I256 F284 W286 N338	I256-A310 HydrophobicContact CD1-CB 3.67Å; F284-A310 HydrophobicContact CE1-CB 4.18Å; F284-A310 HydrophobicContact CE2-CB 4.34Å; F284-A310 HydrophobicContact CZ-CB 3.91Å; W286-A310 HydrophobicContact CH2-CB 4.22Å; W286-A310 HydrophobicContact CZ2-CB 4.04Å; A310-N338 PolarHBondContact O-ND2 3.18Å
311	G	85.9	Confident	96.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	101.5	-22.2	169.4	0	0	0	0	0	115.7	R211 M309	R211-G311 PolarHBondContact NH1-O 3.18Å; M309-G311 PolarHBondContact O-N 2.77Å
312	G	85.8	Confident	96.9	Very high	8 Å²	8	23.6 Å²	23.6	8%	0.082	13%	0.126	C	C	.	.	S	Bend	trans	-69.4	-38.3	-179	0	0	0	0	0	114.7	R211	R211-G312 VanDerWaalsContact NH2-CA 3.35Å; R211-G312 PolarHBondContact NH2-O 3.13Å
313	L	97.9	Very high	97	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-135.4	112.9	-162.2	-63.5	87.3	0	0	0	110.4	F225 L226 C253 P254 I256 V360	F225-L313 WeakPolarHBondContact O-CA 3.43Å; L226-L313 HydrophobicContact CD2-CB 4.28Å; L226-L313 HydrophobicContact CD2-CD2 3.7Å; L226-L313 HydrophobicContact CD2-CG 3.94Å; C253-L313 PolarHBondContact SG-O 2.97Å; C253-L313 VanDerWaalsContact SG-O 3.39Å; P254-L313 HydrophobicContact CG-CB 3.78Å; P254-L313 HydrophobicContact CG-CD2 4.19Å; I256-L313 HydrophobicContact CD1-CB 4.3Å; I256-L313 HydrophobicContact CD1-CD1 3.91Å; I256-L313 HydrophobicContact CG1-CB 4.41Å; I256-L313 HydrophobicContact CG1-CD1 4.28Å; L313-V360 HydrophobicContact CD2-CB 3.64Å; L313-V360 HydrophobicContact CD2-CG1 3.4Å; L313-V360 VanDerWaalsContact CD2-CG1 3.4Å; L313-V360 HydrophobicContact CD2-CG2 4.39Å
314	F	98.8	Very high	97	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	159.8	175	67.3	-82.9	0	0	0	112	T224 F225 V251 V252 M309 V316 Y327 F341	T224-F314 CarbonylContact C-O 3.56Å; T224-F314 WeakPolarHBondContact CA-O 3.31Å; F225-F314 HydrophobicContact CB-CD1 4.23Å; F225-F314 HydrophobicContact CB-CE1 3.94Å; F225-F314 HydrophobicContact CB-CZ 4.35Å; F225-F314 HydrophobicContact CD2-CD1 4.31Å; F225-F314 HydrophobicContact CD2-CD2 4.1Å; F225-F314 AromaticContact CD2-CE1 3.65Å; F225-F314 HydrophobicContact CD2-CE1 3.65Å; F225-F314 AromaticContact CD2-CE2 3.42Å; F225-F314 HydrophobicContact CD2-CE2 3.42Å; F225-F314 VanDerWaalsContact CD2-CE2 3.42Å; F225-F314 AromaticContact CD2-CZ 3.16Å; F225-F314 HydrophobicContact CD2-CZ 3.16Å; F225-F314 HydrophobicContact CE2-CE1 4.45Å; F225-F314 AromaticContact CE2-CE2 3.73Å; F225-F314 HydrophobicContact CE2-CE2 3.73Å; F225-F314 AromaticContact CE2-CZ 3.57Å; F225-F314 HydrophobicContact CE2-CZ 3.57Å; F225-F314 AromaticContact CG-CE1 3.99Å; F225-F314 HydrophobicContact CG-CE1 3.99Å; F225-F314 AromaticContact CG-CZ 3.92Å; F225-F314 HydrophobicContact CG-CZ 3.92Å; F225-F314 PolarHBondContact N-O 3.33Å; F225-F314 PolarHBondContact O-N 2.99Å; V251-F314 HydrophobicContact CG1-CB 4.18Å; V251-F314 HydrophobicContact CG1-CD2 3.65Å; V251-F314 HydrophobicContact CG1-CE2 4.4Å; V251-F314 HydrophobicContact CG1-CG 4.19Å; V252-F314 CarbonylContact O-C 3.4Å; V252-F314 WeakPolarHBondContact O-CA 3.43Å; M309-F314 HydrophobicContact SD-CD1 4.15Å; M309-F314 HydrophobicContact SD-CG 4.44Å; F314-V316 HydrophobicContact CD2-CB 4.28Å; F314-V316 HydrophobicContact CD2-CG1 4.13Å; F314-V316 HydrophobicContact CE2-CB 4.27Å; F314-V316 HydrophobicContact CE2-CG1 3.7Å; F314-Y327 WeakPolarHBondContact CE1-OH 3.36Å; F314-Y327 HydrophobicContact CZ-CE2 4.47Å; F314-Y327 VanDerWaalsContact CZ-OH 3.24Å; F314-Y327 WeakPolarHBondContact CZ-OH 3.39Å; F314-F341 HydrophobicContact CD2-CE1 4.43Å; F314-F341 AromaticContact CE2-CE1 3.72Å; F314-F341 HydrophobicContact CE2-CE1 3.72Å; F314-F341 HydrophobicContact CZ-CD1 4.4Å; F314-F341 AromaticContact CZ-CE1 3.88Å; F314-F341 HydrophobicContact CZ-CE1 3.88Å
315	S	98.9	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.9	170.5	-62.8	0	0	0	0	111	L223 T224 I244 V252	L223-S315 CarbonylContact O-C 2.99Å; L223-S315 VanDerWaalsContact O-CA 3.25Å; L223-S315 WeakPolarHBondContact O-CA 3.4Å; T224-S315 WeakPolarHBondContact CB-OG 3.4Å; T224-S315 WeakPolarHBondContact CG2-OG 3.48Å; T224-S315 PolarHBondContact OG1-OG 3.19Å; I244-S315 VanDerWaalsContact CD1-CB 3.49Å; V252-S315 PolarHBondContact N-O 3.3Å; V252-S315 PolarHBondContact O-N 3.34Å
316	V	98.9	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	143.3	179	60.9	0	0	0	0	110.4	V222 L223 F225 V251 F314 K318 Y320 F321	V222-V316 WeakPolarHBondContact CA-O 3.38Å; V222-V316 WeakPolarHBondContact CG1-O 3.22Å; L223-V316 HydrophobicContact CB-CG1 4.22Å; L223-V316 PolarHBondContact N-O 3Å; L223-V316 PolarHBondContact O-N 3Å; F225-V316 HydrophobicContact CE2-CG1 4.38Å; V251-V316 HydrophobicContact CG1-CB 4.49Å; V251-V316 HydrophobicContact CG2-CB 4.23Å; V251-V316 HydrophobicContact CG2-CG2 3.79Å; F314-V316 HydrophobicContact CD2-CB 4.28Å; F314-V316 HydrophobicContact CD2-CG1 4.13Å; F314-V316 HydrophobicContact CE2-CB 4.27Å; F314-V316 HydrophobicContact CE2-CG1 3.7Å; V316-K318 PolarHBondContact O-N 2.74Å; V316-Y320 HydrophobicContact CG2-CD1 4.01Å; V316-F321 HydrophobicContact CG1-CB 3.86Å; V316-F321 HydrophobicContact CG1-CD2 3.97Å; V316-F321 HydrophobicContact CG1-CG 4.13Å; V316-F321 HydrophobicContact CG2-CB 4.13Å
317	S	98.8	Very high	96.6	Very high	15 Å²	15	22.4 Å²	22.4	11%	0.105	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	129.1	169.7	174.8	0	0	0	0	109.8	S319 Y320 F321	S317-S319 VanDerWaalsContact C-N 3.25Å; S317-S319 PolarHBondContact O-N 3.45Å; S317-S319 PolarHBondContact OG-OG 2.71Å; S317-Y320 PolarHBondContact O-N 2.74Å; S317-Y320 VanDerWaalsContact O-N 3.08Å; S317-F321 PolarHBondContact O-N 2.63Å
318	K	98.6	Very high	96.5	Very high	50 Å²	50	22.4 Å²	22.4	22%	0.217	13%	0.125	C	C	.	.	H	α-helix	trans	-56.4	-43.9	179.6	-177	-179.9	179	-171.2	0	111.1	A218 D221 L223 V316 Y320 F321 H322	A218-K318 PolarHBondContact O-NZ 2.94Å; D221-K318 WeakPolarHBondContact O-CB 3.43Å; D221-K318 PolarHBondContact O-N 3.02Å; L223-K318 HydrophobicContact CD1-CB 4.35Å; L223-K318 HydrophobicContact CD1-CG 4.12Å; L223-K318 HydrophobicContact CD2-CB 4.46Å; L223-K318 HydrophobicContact CD2-CD 4.42Å; L223-K318 HydrophobicContact CD2-CG 4.27Å; L223-K318 HydrophobicContact CG-CB 3.98Å; L223-K318 HydrophobicContact CG-CG 4.1Å; V316-K318 PolarHBondContact O-N 2.74Å; K318-Y320 VanDerWaalsContact C-N 3.33Å; K318-Y320 PolarHBondContact O-N 2.92Å; K318-F321 PolarHBondContact O-N 2.92Å; K318-H322 WeakPolarHBondContact CE-NE2 3.41Å; K318-H322 PolarHBondContact O-CD2 3.25Å; K318-H322 PolarHBondContact O-N 2.99Å; K318-H322 VanDerWaalsContact O-N 3.07Å
319	S	98.5	Very high	96.3	Very high	84 Å²	84	26.5 Å²	26.5	59%	0.587	15%	0.151	S	C	*	.	H	α-helix	trans	-60.6	-42.2	177.8	69.8	0	0	0	0	112.1	S317 H322 Y323	S317-S319 VanDerWaalsContact C-N 3.25Å; S317-S319 PolarHBondContact O-N 3.45Å; S317-S319 PolarHBondContact OG-OG 2.71Å; S319-H322 PolarHBondContact O-N 2.89Å; S319-Y323 WeakPolarHBondContact O-CB 3.48Å; S319-Y323 PolarHBondContact O-N 3.27Å
320	Y	98.7	Very high	96.1	Very high	11 Å²	11	27.7 Å²	27.7	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-71.3	-38.1	178.6	-173.3	-123.1	0	0	0	112.3	K249 V251 V316 S317 K318 H322 Y323 L324 G350	K249-Y320 HydrophobicContact CB-CD2 4.43Å; K249-Y320 HydrophobicContact CB-CE1 4.08Å; K249-Y320 HydrophobicContact CB-CE2 3.98Å; K249-Y320 HydrophobicContact CD-CE2 4.3Å; K249-Y320 HydrophobicContact CG-CD2 4.05Å; K249-Y320 HydrophobicContact CG-CE2 3.77Å; K249-Y320 WeakPolarHBondContact O-CE1 3.34Å; V251-Y320 HydrophobicContact CG2-CE1 4.4Å; V316-Y320 HydrophobicContact CG2-CD1 4.01Å; S317-Y320 PolarHBondContact O-N 2.74Å; S317-Y320 VanDerWaalsContact O-N 3.08Å; K318-Y320 VanDerWaalsContact C-N 3.33Å; K318-Y320 PolarHBondContact O-N 2.92Å; Y320-H322 VanDerWaalsContact C-N 3.31Å; Y320-H322 PolarHBondContact O-N 2.76Å; Y320-Y323 AromaticContact CD2-CD1 3.76Å; Y320-Y323 HydrophobicContact CD2-CD1 3.76Å; Y320-Y323 HydrophobicContact CD2-CG 4.48Å; Y320-Y323 AromaticContact CE2-CD1 3.67Å; Y320-Y323 HydrophobicContact CE2-CD1 3.67Å; Y320-Y323 HydrophobicContact CE2-CE1 4.06Å; Y320-Y323 WeakPolarHBondContact O-CB 3.48Å; Y320-Y323 PolarHBondContact O-N 3.09Å; Y320-L324 HydrophobicContact CD1-CD1 4.02Å; Y320-L324 HydrophobicContact CD1-CG 4.43Å; Y320-L324 HydrophobicContact CD2-CG 4.32Å; Y320-L324 HydrophobicContact CE1-CD1 3.42Å; Y320-L324 VanDerWaalsContact CE1-CD1 3.42Å; Y320-L324 HydrophobicContact CE1-CG 4Å; Y320-L324 HydrophobicContact CE2-CD1 4.2Å; Y320-L324 HydrophobicContact CE2-CD2 4.01Å; Y320-L324 HydrophobicContact CE2-CG 3.86Å; Y320-L324 WeakPolarHBondContact O-CG 3.23Å; Y320-L324 PolarHBondContact O-N 3.49Å; Y320-G350 WeakPolarHBondContact OH-CA 3.4Å; Y320-G350 PolarHBondContact OH-N 3.47Å
321	F	98.4	Very high	96.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-42.6	173.7	-175.8	-110.2	0	0	0	111.8	L212 A215 L223 F225 V316 S317 K318 T326 Y327 F341	L212-F321 HydrophobicContact CD2-CE1 3.97Å; L212-F321 HydrophobicContact CD2-CZ 3.98Å; A215-F321 HydrophobicContact CB-CE1 4.14Å; L223-F321 HydrophobicContact CD1-CB 4.21Å; L223-F321 HydrophobicContact CD1-CD1 3.6Å; L223-F321 HydrophobicContact CD1-CE1 4.23Å; L223-F321 HydrophobicContact CD1-CG 4.05Å; F225-F321 HydrophobicContact CZ-CE1 4.45Å; F225-F321 HydrophobicContact CZ-CZ 4.32Å; V316-F321 HydrophobicContact CG1-CB 3.86Å; V316-F321 HydrophobicContact CG1-CD2 3.97Å; V316-F321 HydrophobicContact CG1-CG 4.13Å; V316-F321 HydrophobicContact CG2-CB 4.13Å; S317-F321 PolarHBondContact O-N 2.63Å; K318-F321 PolarHBondContact O-N 2.92Å; F321-T326 HydrophobicContact CD1-CG2 3.8Å; F321-T326 HydrophobicContact CE1-CG2 3.64Å; F321-T326 HydrophobicContact CZ-CG2 4.34Å; F321-T326 WeakPolarHBondContact O-CA 3.44Å; F321-T326 PolarHBondContact O-N 3.24Å; F321-Y327 HydrophobicContact CE2-CD2 4.21Å; F321-Y327 HydrophobicContact CE2-CE2 4.1Å; F321-Y327 AromaticContact CZ-CD2 3.75Å; F321-Y327 HydrophobicContact CZ-CD2 3.75Å; F321-Y327 AromaticContact CZ-CE2 3.92Å; F321-Y327 HydrophobicContact CZ-CE2 3.92Å; F321-F341 HydrophobicContact CD2-CE1 4.48Å; F321-F341 AromaticContact CD2-CZ 3.87Å; F321-F341 HydrophobicContact CD2-CZ 3.87Å; F321-F341 HydrophobicContact CE2-CE1 4.34Å; F321-F341 HydrophobicContact CE2-CZ 4.03Å
322	H	98	Very high	96.2	Very high	87 Å²	87	29.4 Å²	29.4	40%	0.403	17%	0.166	S	C	.	.	H	α-helix	trans	-68.4	-41.5	173.3	-71	-61.2	0	0	0	112.8	K318 S319 Y320 L324 G325	K318-H322 WeakPolarHBondContact CE-NE2 3.41Å; K318-H322 PolarHBondContact O-CD2 3.25Å; K318-H322 PolarHBondContact O-N 2.99Å; K318-H322 VanDerWaalsContact O-N 3.07Å; S319-H322 PolarHBondContact O-N 2.89Å; Y320-H322 VanDerWaalsContact C-N 3.31Å; Y320-H322 PolarHBondContact O-N 2.76Å; H322-L324 VanDerWaalsContact C-N 3.3Å; H322-L324 PolarHBondContact O-N 3.19Å; H322-G325 WeakPolarHBondContact O-CA 3.17Å; H322-G325 PolarHBondContact O-N 3.06Å
323	Y	98.3	Very high	96.1	Very high	118 Å²	118	31.3 Å²	31.3	46%	0.463	18%	0.175	S	C	.	.	H	α-helix	trans	-57.5	-41.9	175.6	169.6	-95.8	0	0	0	112.2	S319 Y320 G325 L419	S319-Y323 WeakPolarHBondContact O-CB 3.48Å; S319-Y323 PolarHBondContact O-N 3.27Å; Y320-Y323 AromaticContact CD2-CD1 3.76Å; Y320-Y323 HydrophobicContact CD2-CD1 3.76Å; Y320-Y323 HydrophobicContact CD2-CG 4.48Å; Y320-Y323 AromaticContact CE2-CD1 3.67Å; Y320-Y323 HydrophobicContact CE2-CD1 3.67Å; Y320-Y323 HydrophobicContact CE2-CE1 4.06Å; Y320-Y323 WeakPolarHBondContact O-CB 3.48Å; Y320-Y323 PolarHBondContact O-N 3.09Å; Y323-G325 PolarHBondContact O-N 2.65Å; Y323-G325 VanDerWaalsContact O-N 3.12Å; Y323-L419 HydrophobicContact CD1-CD2 4.38Å; Y323-L419 HydrophobicContact CD2-CD2 4.41Å; Y323-L419 HydrophobicContact CE1-CD2 3.79Å; Y323-L419 HydrophobicContact CE2-CD2 3.83Å; Y323-L419 VanDerWaalsContact CZ-CD2 3.48Å
324	L	98.1	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	5.7	174.5	-70.6	-175.7	0	0	0	113.9	Y320 H322 T326 F341 R344 I345 C348 L419	Y320-L324 HydrophobicContact CD1-CD1 4.02Å; Y320-L324 HydrophobicContact CD1-CG 4.43Å; Y320-L324 HydrophobicContact CD2-CG 4.32Å; Y320-L324 HydrophobicContact CE1-CD1 3.42Å; Y320-L324 VanDerWaalsContact CE1-CD1 3.42Å; Y320-L324 HydrophobicContact CE1-CG 4Å; Y320-L324 HydrophobicContact CE2-CD1 4.2Å; Y320-L324 HydrophobicContact CE2-CD2 4.01Å; Y320-L324 HydrophobicContact CE2-CG 3.86Å; Y320-L324 WeakPolarHBondContact O-CG 3.23Å; Y320-L324 PolarHBondContact O-N 3.49Å; H322-L324 VanDerWaalsContact C-N 3.3Å; H322-L324 PolarHBondContact O-N 3.19Å; L324-T326 VanDerWaalsContact C-N 3.33Å; L324-T326 PolarHBondContact O-N 3.33Å; L324-F341 HydrophobicContact CD1-CE2 3.92Å; L324-F341 HydrophobicContact CD1-CZ 4.5Å; L324-R344 HydrophobicContact CD2-CG 4.45Å; L324-R344 WeakPolarHBondContact O-CD 3.49Å; L324-R344 PolarHBondContact O-NE 2.77Å; L324-I345 HydrophobicContact CD1-CG1 3.94Å; L324-C348 HydrophobicContact CD2-CB 4.07Å; L324-L419 HydrophobicContact CD2-CD1 4.36Å
325	G	97.3	Very high	95.1	Very high	18 Å²	18	34.3 Å²	34.3	19%	0.186	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	30.7	-179.9	0	0	0	0	0	113.6	H322 Y323 R412	H322-G325 WeakPolarHBondContact O-CA 3.17Å; H322-G325 PolarHBondContact O-N 3.06Å; Y323-G325 PolarHBondContact O-N 2.65Å; Y323-G325 VanDerWaalsContact O-N 3.12Å; G325-R412 PolarHBondContact O-NH1 3Å
326	T	96.2	Very high	94.8	Very high	28 Å²	28	34.6 Å²	34.6	17%	0.172	19%	0.191	C	C	.	.			trans	51	-134.8	174.9	69.9	0	0	0	0	112.5	L212 F321 L324 R344	L212-T326 HydrophobicContact CD2-CG2 4.32Å; F321-T326 HydrophobicContact CD1-CG2 3.8Å; F321-T326 HydrophobicContact CE1-CG2 3.64Å; F321-T326 HydrophobicContact CZ-CG2 4.34Å; F321-T326 WeakPolarHBondContact O-CA 3.44Å; F321-T326 PolarHBondContact O-N 3.24Å; L324-T326 VanDerWaalsContact C-N 3.33Å; L324-T326 PolarHBondContact O-N 3.33Å; T326-R344 PolarHBondContact O-NH2 2.68Å
327	Y	95.3	Very high	94.6	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.192	C	C	.	.	S	Bend	trans	-94.7	161.6	169.5	-77.1	-72.8	0	0	0	111.8	V208 L212 F314 F321 T329 E337 F341	V208-Y327 VanDerWaalsContact CG1-CB 3.4Å; V208-Y327 HydrophobicContact CG1-CD1 4.48Å; V208-Y327 HydrophobicContact CG1-CD2 4.31Å; V208-Y327 HydrophobicContact CG1-CG 3.86Å; L212-Y327 HydrophobicContact CD2-CD2 4.04Å; L212-Y327 HydrophobicContact CG-CD2 4.39Å; F314-Y327 WeakPolarHBondContact CE1-OH 3.36Å; F314-Y327 HydrophobicContact CZ-CE2 4.47Å; F314-Y327 VanDerWaalsContact CZ-OH 3.24Å; F314-Y327 WeakPolarHBondContact CZ-OH 3.39Å; F321-Y327 HydrophobicContact CE2-CD2 4.21Å; F321-Y327 HydrophobicContact CE2-CE2 4.1Å; F321-Y327 AromaticContact CZ-CD2 3.75Å; F321-Y327 HydrophobicContact CZ-CD2 3.75Å; F321-Y327 AromaticContact CZ-CE2 3.92Å; F321-Y327 HydrophobicContact CZ-CE2 3.92Å; Y327-T329 PolarHBondContact O-N 3.48Å; Y327-E337 HydrophobicContact CD1-CB 4.21Å; Y327-E337 HydrophobicContact CE1-CB 4.19Å; Y327-E337 HydrophobicContact CE1-CG 4.1Å; Y327-F341 HydrophobicContact CE1-CB 4.16Å; Y327-F341 HydrophobicContact CE1-CD1 4.14Å; Y327-F341 HydrophobicContact CE1-CG 4.3Å
328	D	95.9	Very high	94.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.191	C	C	.	.			trans	-70.4	108.4	164.9	-178.6	5.1	0	0	0	110.1	G330 M331 R381 R412	D328-G330 PolarHBondContact O-N 3.28Å; D328-G330 PolarHBondContact OD1-N 2.8Å; D328-M331 HydrophobicContact CB-CE 4.5Å; D328-M331 HydrophobicContact CB-CG 4.1Å; D328-M331 HydrophobicContact CB-SD 4.29Å; D328-M331 WeakPolarHBondContact O-CB 3.48Å; D328-M331 PolarHBondContact O-N 3.49Å; D328-M331 VanDerWaalsContact O-N 3.11Å; D328-R381 VanDerWaalsContact CG-NH2 3.33Å; D328-R381 IonicContact OD1-CZ 2.67Å; D328-R381 IonicContact OD1-NE 3.58Å; D328-R381 IonicContact OD1-NH2 3.79Å; D328-R381 PolarHBondContact OD1-NH2 3.3Å; D328-R381 IonicContact OD2-CZ 3.78Å; D328-R381 VanDerWaalsContact OD2-CZ 3.27Å; D328-R381 IonicContact OD2-NE 3.2Å; D328-R381 PolarHBondContact OD2-NE 3Å; D328-R381 IonicContact OD2-NH2 2.59Å; D328-R381 PolarHBondContact OD2-NH2 2.89Å; D328-R412 HydrophobicContact CB-CG 4.35Å
329	T	93.8	Very high	94.5	Very high	87 Å²	87	32.7 Å²	32.7	53%	0.534	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.1	-178.3	51.8	0	0	0	0	113.8	R209 L212 Y327 M331	R209-T329 PolarHBondContact NH1-O 3.09Å; L212-T329 HydrophobicContact CD1-CG2 3.6Å; Y327-T329 PolarHBondContact O-N 3.48Å; T329-M331 VanDerWaalsContact C-N 3.27Å
330	G	93.7	Very high	94.5	Very high	29 Å²	29	28.7 Å²	28.7	30%	0.299	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.3	173.4	0	0	0	0	0	113.9	D328	D328-G330 PolarHBondContact O-N 3.28Å; D328-G330 PolarHBondContact OD1-N 2.8Å
331	M	93.3	Very high	94.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.152	C	C	.	.			trans	-74.7	136.6	172.9	-68.7	-176.1	165.7	0	0	111.3	V208 R209 D328 T329 E337 E340 N378 R381 A382	V208-M331 HydrophobicContact CG2-CB 4.36Å; R209-M331 PolarHBondContact NH1-O 3Å; D328-M331 HydrophobicContact CB-CE 4.5Å; D328-M331 HydrophobicContact CB-CG 4.1Å; D328-M331 HydrophobicContact CB-SD 4.29Å; D328-M331 WeakPolarHBondContact O-CB 3.48Å; D328-M331 PolarHBondContact O-N 3.49Å; D328-M331 VanDerWaalsContact O-N 3.11Å; T329-M331 VanDerWaalsContact C-N 3.27Å; M331-E337 VanDerWaalsContact SD-CA 3.5Å; M331-E337 HydrophobicContact SD-CB 3.63Å; M331-E340 HydrophobicContact CE-CB 3.54Å; M331-E340 HydrophobicContact CE-CG 3.57Å; M331-E340 HydrophobicContact SD-CB 4.5Å; M331-N378 VanDerWaalsContact CA-OD1 3.31Å; M331-N378 WeakPolarHBondContact CA-OD1 3.24Å; M331-N378 HydrophobicContact CB-CB 4.48Å; M331-N378 HydrophobicContact CE-CB 4.36Å; M331-N378 WeakPolarHBondContact CE-O 3.23Å; M331-N378 HydrophobicContact CG-CB 4.11Å; M331-N378 HydrophobicContact SD-CB 4.42Å; M331-R381 HydrophobicContact CE-CB 4.39Å; M331-A382 HydrophobicContact CE-CB 4.38Å
332	E	87.1	Confident	94.5	Very high	71 Å²	71	28.2 Å²	28.2	33%	0.332	15%	0.152	S	C	.	.			trans	-114.6	139.9	-173.6	-60.3	-170.2	111.7	0	0	112.2	W334 K374 N378	E332-W334 VanDerWaalsContact C-N 3.32Å; E332-W334 PolarHBondContact O-N 3.35Å; E332-K374 HydrophobicContact CB-CB 4.06Å; E332-K374 HydrophobicContact CB-CD 4.28Å; E332-K374 HydrophobicContact CB-CG 3.9Å; E332-K374 WeakPolarHBondContact O-CB 3.35Å; E332-K374 VanDerWaalsContact OE2-CD 3.31Å; E332-K374 WeakPolarHBondContact OE2-CD 3.07Å; E332-K374 WeakPolarHBondContact OE2-CE 3.36Å; E332-K374 IonicContact OE2-NZ 2.65Å; E332-K374 PolarHBondContact OE2-NZ 3.46Å; E332-N378 PolarHBondContact N-OD1 2.92Å; E332-N378 PolarHBondContact O-ND2 2.93Å
333	V	83.9	Confident	94.5	Very high	47 Å²	47	24 Å²	24	29%	0.285	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	61	-77.3	171.2	-172.4	0	0	0	0	114.1	L207 K374	L207-V333 WeakPolarHBondContact CB-O 3.47Å; L207-V333 PolarHBondContact N-O 2.68Å; V333-K374 HydrophobicContact CG2-CG 4.37Å
334	W	87.2	Confident	94.5	Very high	65 Å²	65	18.4 Å²	18.4	25%	0.246	11%	0.11	C	C	.	.	S	Bend	trans	-164.1	145.7	-173.4	-178.3	88.6	0	0	0	112.2	E332 Y370 R372 A375	E332-W334 VanDerWaalsContact C-N 3.32Å; E332-W334 PolarHBondContact O-N 3.35Å; W334-Y370 HydrophobicContact CB-CD2 4.32Å; W334-Y370 HydrophobicContact CB-CE2 3.7Å; W334-Y370 AromaticContact CD1-CE2 3.72Å; W334-Y370 AromaticContact CD1-CZ 3.83Å; W334-Y370 AromaticContact CD2-CE2 4Å; W334-Y370 HydrophobicContact CD2-CE2 4Å; W334-Y370 AromaticContact CG-CE2 3.5Å; W334-Y370 HydrophobicContact CG-CE2 3.5Å; W334-Y370 PolarHBondContact NE1-OH 3.01Å; W334-R372 HydrophobicContact CD2-CG 4.49Å; W334-R372 HydrophobicContact CE3-CB 4.24Å; W334-R372 HydrophobicContact CE3-CG 3.65Å; W334-R372 VanDerWaalsContact CH2-CZ 3.41Å; W334-R372 HydrophobicContact CZ3-CB 4.38Å; W334-R372 HydrophobicContact CZ3-CG 3.82Å; W334-R372 VanDerWaalsContact CZ3-NE 3.29Å; W334-A375 HydrophobicContact CE3-CB 4.37Å; W334-A375 HydrophobicContact CZ3-CB 4.32Å
335	G	88.1	Confident	94.6	Very high	4 Å²	4	18.4 Å²	18.4	4%	0.041	11%	0.11	C	C	.	.	S	Bend	trans	102.6	142.3	167.6	0	0	0	0	0	112.5	E337 N378	G335-E337 VanDerWaalsContact C-N 3.25Å; G335-E337 VanDerWaalsContact CA-OE2 3.24Å; G335-E337 WeakPolarHBondContact CA-OE2 3.42Å; G335-E337 PolarHBondContact N-OE2 3.24Å; G335-E337 PolarHBondContact O-N 3.38Å; G335-N378 WeakPolarHBondContact O-CB 3.4Å; G335-N378 PolarHBondContact O-ND2 3.43Å
336	G	92.9	Very high	94.6	Very high	6 Å²	6	18.6 Å²	18.6	6%	0.062	11%	0.105	C	C	.	.	S	Bend	trans	84.5	-23.2	176.8	0	0	0	0	0	114.8	N338 L339 E340	G336-N338 VanDerWaalsContact C-N 3.28Å; G336-N338 PolarHBondContact O-N 3.25Å; G336-L339 PolarHBondContact O-N 3.05Å; G336-E340 WeakPolarHBondContact O-CB 3.32Å; G336-E340 PolarHBondContact O-N 2.96Å
337	E	94.9	Very high	94.8	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-32.3	-177.4	79.2	-69.9	168.3	0	0	113	V208 Y327 M331 G335 F341	V208-E337 HydrophobicContact CG2-CB 3.7Å; V208-E337 HydrophobicContact CG2-CG 3.8Å; Y327-E337 HydrophobicContact CD1-CB 4.21Å; Y327-E337 HydrophobicContact CE1-CB 4.19Å; Y327-E337 HydrophobicContact CE1-CG 4.1Å; M331-E337 VanDerWaalsContact SD-CA 3.5Å; M331-E337 HydrophobicContact SD-CB 3.63Å; G335-E337 VanDerWaalsContact C-N 3.25Å; G335-E337 VanDerWaalsContact CA-OE2 3.24Å; G335-E337 WeakPolarHBondContact CA-OE2 3.42Å; G335-E337 PolarHBondContact N-OE2 3.24Å; G335-E337 PolarHBondContact O-N 3.38Å; E337-F341 VanDerWaalsContact O-CB 3.25Å; E337-F341 WeakPolarHBondContact O-CB 3.2Å; E337-F341 PolarHBondContact O-N 3.07Å
338	N	96.2	Very high	94.9	Very high	15 Å²	15	17.9 Å²	17.9	8%	0.08	10%	0.102	C	C	.	.	H	α-helix	trans	-68.1	-42.6	179.1	67.4	-46.8	0	0	0	111.4	M309 A310 G336 S342	M309-N338 HydrophobicContact CG-CB 4.28Å; M309-N338 WeakPolarHBondContact O-CB 3.42Å; M309-N338 PolarHBondContact O-ND2 2.88Å; A310-N338 PolarHBondContact O-ND2 3.18Å; G336-N338 VanDerWaalsContact C-N 3.28Å; G336-N338 PolarHBondContact O-N 3.25Å; N338-S342 WeakPolarHBondContact O-CB 3.49Å; N338-S342 PolarHBondContact O-N 3.39Å; N338-S342 PolarHBondContact O-OG 3.14Å
339	L	98.3	Very high	95	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-70	-46.1	175.6	-62.4	-174.3	0	0	0	111.3	F278 L282 F284 T308 G336 F341 S342 F343	F278-L339 HydrophobicContact CB-CD1 4.14Å; F278-L339 HydrophobicContact CB-CD2 3.87Å; L282-L339 HydrophobicContact CB-CD1 4.04Å; L282-L339 HydrophobicContact CD2-CD1 4.49Å; L282-L339 VanDerWaalsContact O-CD1 3.23Å; L282-L339 WeakPolarHBondContact O-CD1 3.5Å; F284-L339 HydrophobicContact CB-CD2 4.49Å; T308-L339 HydrophobicContact CG2-CD2 3.73Å; G336-L339 PolarHBondContact O-N 3.05Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 3.34Å; L339-S342 WeakPolarHBondContact O-CB 3.4Å; L339-S342 PolarHBondContact O-N 3.4Å; L339-F343 HydrophobicContact CB-CE2 4.28Å; L339-F343 HydrophobicContact CB-CZ 4.3Å; L339-F343 WeakPolarHBondContact O-CD2 3.36Å; L339-F343 WeakPolarHBondContact O-CG 3.49Å; L339-F343 PolarHBondContact O-N 3.08Å
340	E	98.5	Very high	95.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-44.9	178	-168.4	-89.4	163.2	0	0	112.1	M331 G336 R344 A382 W386 R412	M331-E340 HydrophobicContact CE-CB 3.54Å; M331-E340 HydrophobicContact CE-CG 3.57Å; M331-E340 HydrophobicContact SD-CB 4.5Å; G336-E340 WeakPolarHBondContact O-CB 3.32Å; G336-E340 PolarHBondContact O-N 2.96Å; E340-R344 WeakPolarHBondContact O-CB 3.44Å; E340-R344 PolarHBondContact O-N 3.49Å; E340-R344 VanDerWaalsContact O-N 3.08Å; E340-R344 IonicContact OE1-CZ 3.56Å; E340-R344 IonicContact OE1-NH1 3.98Å; E340-R344 PolarHBondContact OE1-NH1 3.48Å; E340-R344 IonicContact OE2-CZ 2.72Å; E340-R344 IonicContact OE2-NH1 3.87Å; E340-R344 PolarHBondContact OE2-NH1 2.81Å; E340-R344 IonicContact OE2-NH2 3.27Å; E340-R344 PolarHBondContact OE2-NH2 3.38Å; E340-R344 VanDerWaalsContact OE2-NH2 3.1Å; E340-A382 HydrophobicContact CB-CB 3.71Å; E340-A382 HydrophobicContact CG-CB 3.95Å; E340-W386 PolarHBondContact OE1-NE1 2.81Å; E340-R412 IonicContact OE1-CZ 2.7Å; E340-R412 IonicContact OE1-NE 3.99Å; E340-R412 IonicContact OE1-NH2 2.68Å; E340-R412 PolarHBondContact OE1-NH2 2.87Å
341	F	98.4	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.5	-39.6	177.9	-170.3	-147.9	0	0	0	111.7	V251 M309 F314 F321 L324 Y327 E337 L339 F343 R344 I345	V251-F341 HydrophobicContact CG1-CE1 4.48Å; V251-F341 HydrophobicContact CG2-CZ 4.4Å; M309-F341 HydrophobicContact CE-CB 4.25Å; M309-F341 HydrophobicContact CE-CD1 3.36Å; M309-F341 HydrophobicContact CE-CE1 3.95Å; M309-F341 HydrophobicContact CE-CG 4Å; M309-F341 HydrophobicContact SD-CD1 4.11Å; F314-F341 HydrophobicContact CD2-CE1 4.43Å; F314-F341 AromaticContact CE2-CE1 3.72Å; F314-F341 HydrophobicContact CE2-CE1 3.72Å; F314-F341 HydrophobicContact CZ-CD1 4.4Å; F314-F341 AromaticContact CZ-CE1 3.88Å; F314-F341 HydrophobicContact CZ-CE1 3.88Å; F321-F341 HydrophobicContact CD2-CE1 4.48Å; F321-F341 AromaticContact CD2-CZ 3.87Å; F321-F341 HydrophobicContact CD2-CZ 3.87Å; F321-F341 HydrophobicContact CE2-CE1 4.34Å; F321-F341 HydrophobicContact CE2-CZ 4.03Å; L324-F341 HydrophobicContact CD1-CE2 3.92Å; L324-F341 HydrophobicContact CD1-CZ 4.5Å; Y327-F341 HydrophobicContact CE1-CB 4.16Å; Y327-F341 HydrophobicContact CE1-CD1 4.14Å; Y327-F341 HydrophobicContact CE1-CG 4.3Å; E337-F341 VanDerWaalsContact O-CB 3.25Å; E337-F341 WeakPolarHBondContact O-CB 3.2Å; E337-F341 PolarHBondContact O-N 3.07Å; L339-F341 VanDerWaalsContact C-N 3.32Å; L339-F341 PolarHBondContact O-N 3.34Å; F341-F343 PolarHBondContact O-N 3.14Å; F341-R344 PolarHBondContact O-N 3.03Å; F341-I345 HydrophobicContact CD1-CD1 3.85Å; F341-I345 HydrophobicContact CD2-CD1 3.85Å; F341-I345 HydrophobicContact CD2-CG1 3.81Å; F341-I345 HydrophobicContact CE1-CD1 3.78Å; F341-I345 HydrophobicContact CE1-CG1 4.49Å; F341-I345 HydrophobicContact CE2-CD1 3.83Å; F341-I345 HydrophobicContact CE2-CG1 3.65Å; F341-I345 HydrophobicContact CG-CD1 3.88Å; F341-I345 HydrophobicContact CG-CG1 4.35Å; F341-I345 HydrophobicContact CZ-CD1 3.79Å; F341-I345 HydrophobicContact CZ-CG1 4.01Å; F341-I345 WeakPolarHBondContact O-CD1 3.44Å; F341-I345 WeakPolarHBondContact O-CG1 3.5Å; F341-I345 PolarHBondContact O-N 2.92Å
342	S	98.8	Very high	95.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.4	-49.1	175.6	-60.4	0	0	0	0	112.1	T308 M309 N338 L339 R344 I345 W346 L352	T308-S342 VanDerWaalsContact CA-OG 3.3Å; T308-S342 WeakPolarHBondContact CA-OG 3.34Å; M309-S342 PolarHBondContact N-OG 2.84Å; N338-S342 WeakPolarHBondContact O-CB 3.49Å; N338-S342 PolarHBondContact O-N 3.39Å; N338-S342 PolarHBondContact O-OG 3.14Å; L339-S342 WeakPolarHBondContact O-CB 3.4Å; L339-S342 PolarHBondContact O-N 3.4Å; S342-R344 VanDerWaalsContact C-N 3.33Å; S342-R344 PolarHBondContact O-N 2.83Å; S342-I345 PolarHBondContact O-N 2.99Å; S342-W346 VanDerWaalsContact O-CD1 3.31Å; S342-W346 PolarHBondContact O-N 2.71Å; S342-L352 WeakPolarHBondContact OG-CD2 3.19Å
343	F	98.8	Very high	96.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-43.9	177.7	-63.3	-19	0	0	0	111.4	F278 L282 T308 L339 F341 Q347 W386 M387 F424 Y427	F278-F343 AromaticContact CD1-CE1 3.97Å; F278-F343 HydrophobicContact CD1-CE1 3.97Å; F278-F343 HydrophobicContact CD1-CZ 4.12Å; F278-F343 HydrophobicContact CD2-CZ 4.36Å; F278-F343 AromaticContact CE1-CE1 3.69Å; F278-F343 HydrophobicContact CE1-CE1 3.69Å; F278-F343 AromaticContact CE1-CZ 3.94Å; F278-F343 HydrophobicContact CE1-CZ 3.94Å; F278-F343 HydrophobicContact CE2-CZ 4.23Å; F278-F343 HydrophobicContact CG-CZ 4.35Å; F278-F343 HydrophobicContact CZ-CE1 4.14Å; F278-F343 HydrophobicContact CZ-CZ 4.03Å; L282-F343 HydrophobicContact CD2-CE2 4.45Å; L282-F343 HydrophobicContact CD2-CZ 4.44Å; T308-F343 HydrophobicContact CG2-CE1 4.37Å; L339-F343 HydrophobicContact CB-CE2 4.28Å; L339-F343 HydrophobicContact CB-CZ 4.3Å; L339-F343 WeakPolarHBondContact O-CD2 3.36Å; L339-F343 WeakPolarHBondContact O-CG 3.49Å; L339-F343 PolarHBondContact O-N 3.08Å; F341-F343 PolarHBondContact O-N 3.14Å; F343-Q347 VanDerWaalsContact O-CB 3.22Å; F343-Q347 WeakPolarHBondContact O-CB 3.41Å; F343-Q347 VanDerWaalsContact O-CG 3.28Å; F343-Q347 WeakPolarHBondContact O-CG 3.44Å; F343-Q347 PolarHBondContact O-N 2.96Å; F343-W386 HydrophobicContact CB-CB 3.95Å; F343-W386 HydrophobicContact CB-CG 4.21Å; F343-W386 HydrophobicContact CD2-CB 4.08Å; F343-W386 HydrophobicContact CG-CB 4.48Å; F343-M387 HydrophobicContact CE2-CG 4.2Å; F343-M387 HydrophobicContact CE2-SD 4.41Å; F343-F424 AromaticContact CD1-CE2 3.94Å; F343-F424 HydrophobicContact CD1-CE2 3.94Å; F343-F424 HydrophobicContact CD2-CE2 4.09Å; F343-F424 AromaticContact CE1-CE2 3.92Å; F343-F424 HydrophobicContact CE1-CE2 3.92Å; F343-F424 HydrophobicContact CE1-CZ 4.23Å; F343-F424 HydrophobicContact CE2-CE2 4.05Å; F343-F424 HydrophobicContact CE2-CZ 4.41Å; F343-F424 HydrophobicContact CG-CE2 4.03Å; F343-F424 AromaticContact CZ-CE2 3.98Å; F343-F424 HydrophobicContact CZ-CE2 3.98Å; F343-F424 HydrophobicContact CZ-CZ 4.09Å; F343-Y427 HydrophobicContact CD1-CE1 4.04Å; F343-Y427 HydrophobicContact CD1-CE2 4.1Å; F343-Y427 AromaticContact CD1-CZ 3.74Å; F343-Y427 AromaticContact CE1-CE1 3.95Å; F343-Y427 HydrophobicContact CE1-CE1 3.95Å; F343-Y427 AromaticContact CE1-CZ 3.88Å
344	R	98.6	Very high	97	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.1	-50	176.2	173.6	167.5	61.1	-87.9	4.8	112.6	L324 T326 E340 F341 S342 W346 Q347 C348 W386	L324-R344 HydrophobicContact CD2-CG 4.45Å; L324-R344 WeakPolarHBondContact O-CD 3.49Å; L324-R344 PolarHBondContact O-NE 2.77Å; T326-R344 PolarHBondContact O-NH2 2.68Å; E340-R344 WeakPolarHBondContact O-CB 3.44Å; E340-R344 PolarHBondContact O-N 3.49Å; E340-R344 VanDerWaalsContact O-N 3.08Å; E340-R344 IonicContact OE1-CZ 3.56Å; E340-R344 IonicContact OE1-NH1 3.98Å; E340-R344 PolarHBondContact OE1-NH1 3.48Å; E340-R344 IonicContact OE2-CZ 2.72Å; E340-R344 IonicContact OE2-NH1 3.87Å; E340-R344 PolarHBondContact OE2-NH1 2.81Å; E340-R344 IonicContact OE2-NH2 3.27Å; E340-R344 PolarHBondContact OE2-NH2 3.38Å; E340-R344 VanDerWaalsContact OE2-NH2 3.1Å; F341-R344 PolarHBondContact O-N 3.03Å; S342-R344 VanDerWaalsContact C-N 3.33Å; S342-R344 PolarHBondContact O-N 2.83Å; R344-W346 VanDerWaalsContact C-N 3.3Å; R344-W346 PolarHBondContact O-N 3.21Å; R344-Q347 PolarHBondContact O-N 2.82Å; R344-C348 WeakPolarHBondContact O-CB 3.35Å; R344-C348 PolarHBondContact O-N 3.04Å; R344-C348 PolarHBondContact O-SG 2.69Å; R344-W386 HydrophobicContact CB-CD2 4.37Å; R344-W386 HydrophobicContact CB-CE3 4.37Å; R344-W386 HydrophobicContact CB-CH2 3.58Å; R344-W386 HydrophobicContact CB-CZ2 3.54Å; R344-W386 HydrophobicContact CB-CZ3 3.99Å; R344-W386 HydrophobicContact CG-CH2 3.49Å; R344-W386 VanDerWaalsContact CG-CH2 3.49Å; R344-W386 HydrophobicContact CG-CZ2 3.73Å; R344-W386 HydrophobicContact CG-CZ3 4.2Å
345	I	98.8	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-53.6	-52.1	-177.3	-71	157.4	0	0	0	109.7	V251 M309 L324 F341 S342 G349 G350 S351 L352	V251-I345 HydrophobicContact CB-CD1 3.92Å; V251-I345 HydrophobicContact CG1-CD1 4.09Å; V251-I345 HydrophobicContact CG2-CD1 3.62Å; V251-I345 HydrophobicContact CG2-CG1 3.9Å; V251-I345 HydrophobicContact CG2-CG2 4.19Å; M309-I345 HydrophobicContact CE-CD1 3.38Å; L324-I345 HydrophobicContact CD1-CG1 3.94Å; F341-I345 HydrophobicContact CD1-CD1 3.85Å; F341-I345 HydrophobicContact CD2-CD1 3.85Å; F341-I345 HydrophobicContact CD2-CG1 3.81Å; F341-I345 HydrophobicContact CE1-CD1 3.78Å; F341-I345 HydrophobicContact CE1-CG1 4.49Å; F341-I345 HydrophobicContact CE2-CD1 3.83Å; F341-I345 HydrophobicContact CE2-CG1 3.65Å; F341-I345 HydrophobicContact CG-CD1 3.88Å; F341-I345 HydrophobicContact CG-CG1 4.35Å; F341-I345 HydrophobicContact CZ-CD1 3.79Å; F341-I345 HydrophobicContact CZ-CG1 4.01Å; F341-I345 WeakPolarHBondContact O-CD1 3.44Å; F341-I345 WeakPolarHBondContact O-CG1 3.5Å; F341-I345 PolarHBondContact O-N 2.92Å; S342-I345 PolarHBondContact O-N 2.99Å; I345-G349 PolarHBondContact O-N 3.23Å; I345-G350 WeakPolarHBondContact O-CA 3.16Å; I345-G350 PolarHBondContact O-N 3.45Å; I345-S351 WeakPolarHBondContact CG2-O 3.15Å; I345-L352 HydrophobicContact CD1-CD1 4.35Å; I345-L352 HydrophobicContact CG2-CB 4.31Å
346	W	98.8	Very high	98	Very high	21 Å²	21	8.4 Å²	8.4	8%	0.08	6%	0.06	C	C	.	.	H	α-helix	trans	-68.1	-51.6	-178.3	-77.5	116	0	0	0	112.9	R305 S306 P307 S342 R344 C348 G349 L352 W426 Y427 V431	R305-W346 HydrophobicContact CB-CH2 4.06Å; R305-W346 HydrophobicContact CB-CZ2 4.24Å; R305-W346 HydrophobicContact CG-CH2 4.06Å; S306-W346 PolarHBondContact O-NE1 2.86Å; P307-W346 PolarHBondContact O-NE1 3.46Å; S342-W346 VanDerWaalsContact O-CD1 3.31Å; S342-W346 PolarHBondContact O-N 2.71Å; R344-W346 VanDerWaalsContact C-N 3.3Å; R344-W346 PolarHBondContact O-N 3.21Å; W346-C348 PolarHBondContact O-N 3.23Å; W346-G349 PolarHBondContact O-N 2.88Å; W346-L352 HydrophobicContact CZ2-CB 4.1Å; W346-L352 VanDerWaalsContact CZ2-N 3.35Å; W346-L352 VanDerWaalsContact CZ2-O 3.29Å; W346-L352 WeakPolarHBondContact CZ2-O 3.37Å; W346-W426 WeakPolarHBondContact O-CZ3 3.33Å; W346-Y427 HydrophobicContact CB-CD2 3.72Å; W346-Y427 HydrophobicContact CB-CE2 3.93Å; W346-Y427 AromaticContact CD1-CE2 3.68Å; W346-Y427 HydrophobicContact CG-CD2 4.2Å; W346-Y427 AromaticContact CG-CE2 3.97Å; W346-Y427 HydrophobicContact CG-CE2 3.97Å; W346-V431 HydrophobicContact CB-CG2 4.08Å; W346-V431 HydrophobicContact CD2-CB 4.35Å; W346-V431 HydrophobicContact CD2-CG1 3.59Å; W346-V431 HydrophobicContact CD2-CG2 3.76Å; W346-V431 VanDerWaalsContact CE2-CG1 3.49Å; W346-V431 HydrophobicContact CE3-CG1 4.23Å; W346-V431 HydrophobicContact CE3-CG2 3.74Å; W346-V431 HydrophobicContact CG-CB 4.46Å; W346-V431 HydrophobicContact CG-CG1 3.75Å; W346-V431 HydrophobicContact CG-CG2 3.95Å; W346-V431 HydrophobicContact CZ2-CG1 4.05Å; W346-V431 HydrophobicContact CZ3-CG2 4.43Å
347	Q	98.8	Very high	98.3	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-30.4	-176.9	-72.4	-179.2	67.5	0	0	111.9	F343 R344 W386 R416 C421 K422	F343-Q347 VanDerWaalsContact O-CB 3.22Å; F343-Q347 WeakPolarHBondContact O-CB 3.41Å; F343-Q347 VanDerWaalsContact O-CG 3.28Å; F343-Q347 WeakPolarHBondContact O-CG 3.44Å; F343-Q347 PolarHBondContact O-N 2.96Å; R344-Q347 PolarHBondContact O-N 2.82Å; Q347-W386 HydrophobicContact CB-CE3 4.49Å; Q347-W386 HydrophobicContact CB-CZ3 4.48Å; Q347-W386 PolarHBondContact NE2-O 3.01Å; Q347-W386 PolarHBondContact OE1-O 2.91Å; Q347-R416 VanDerWaalsContact OE1-NH2 3.1Å; Q347-C421 HydrophobicContact CB-CB 4.15Å; Q347-C421 CarbonylContact O-C 3.48Å; Q347-C421 VanDerWaalsContact O-CA 3.25Å; Q347-C421 WeakPolarHBondContact O-CA 3.46Å; Q347-C421 WeakPolarHBondContact O-CB 3.45Å; Q347-K422 PolarHBondContact O-N 3.48Å; Q347-K422 PolarHBondContact OE1-O 3.12Å
348	C	98.7	Very high	98.4	Very high	14 Å²	14	7.9 Å²	7.9	10%	0.095	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	16.2	-178.4	-50.8	0	0	0	0	113.8	L324 R344 W346 W386 L419 C421	L324-C348 HydrophobicContact CD2-CB 4.07Å; R344-C348 WeakPolarHBondContact O-CB 3.35Å; R344-C348 PolarHBondContact O-N 3.04Å; R344-C348 PolarHBondContact O-SG 2.69Å; W346-C348 PolarHBondContact O-N 3.23Å; C348-W386 VanDerWaalsContact SG-CZ3 3.56Å; C348-L419 HydrophobicContact CB-CB 4.39Å; C348-L419 HydrophobicContact CB-CD1 4.26Å; C348-C421 HydrophobicContact CB-CB 4.06Å; C348-C421 WeakPolarHBondContact CB-SG 3.33Å; C348-C421 WeakPolarHBondContact SG-CB 3.25Å; C348-C421 CovalentContact SG-SG 2.04Å; C348-C421 PolarHBondContact SG-SG 2.85Å
349	G	98.1	Very high	98.5	Very high	47 Å²	47	7.4 Å²	7.4	49%	0.485	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	16	165.3	0	0	0	0	0	116.5	I345 W346	I345-G349 PolarHBondContact O-N 3.23Å; W346-G349 PolarHBondContact O-N 2.88Å
350	G	98.5	Very high	98.6	Very high	11 Å²	11	7.2 Å²	7.2	11%	0.113	5%	0.052	C	C	.	.			trans	-94.2	-171.6	166.4	0	0	0	0	0	112.9	K249 Y320 I345	K249-G350 WeakPolarHBondContact O-CA 3.37Å; Y320-G350 WeakPolarHBondContact OH-CA 3.4Å; Y320-G350 PolarHBondContact OH-N 3.47Å; I345-G350 WeakPolarHBondContact O-CA 3.16Å; I345-G350 PolarHBondContact O-N 3.45Å
351	S	98.5	Very high	98.5	Very high	13 Å²	13	7.2 Å²	7.2	9%	0.091	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.7	170.4	59	0	0	0	0	110.9	K249 V251 I345 E353	K249-S351 PolarHBondContact O-N 3.44Å; V251-S351 PolarHBondContact N-O 3.33Å; I345-S351 WeakPolarHBondContact CG2-O 3.15Å; S351-E353 WeakPolarHBondContact CB-OE1 3.1Å; S351-E353 PolarHBondContact OG-OE1 3.04Å
352	L	98.8	Very high	98.5	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.4	171.4	-179.8	60.3	0	0	0	108.7	V251 S306 M309 S342 I345 W346	V251-L352 HydrophobicContact CB-CD1 3.93Å; V251-L352 HydrophobicContact CG1-CD1 3.8Å; V251-L352 WeakPolarHBondContact O-CA 3.38Å; S306-L352 PolarHBondContact N-O 3.33Å; M309-L352 HydrophobicContact CB-CD1 4.22Å; M309-L352 HydrophobicContact CB-CD2 3.97Å; M309-L352 HydrophobicContact CE-CD1 3.72Å; M309-L352 HydrophobicContact CE-CD2 3.99Å; M309-L352 HydrophobicContact CG-CD2 4.37Å; S342-L352 WeakPolarHBondContact OG-CD2 3.19Å; I345-L352 HydrophobicContact CD1-CD1 4.35Å; I345-L352 HydrophobicContact CG2-CB 4.31Å; W346-L352 HydrophobicContact CZ2-CB 4.1Å; W346-L352 VanDerWaalsContact CZ2-N 3.35Å; W346-L352 VanDerWaalsContact CZ2-O 3.29Å; W346-L352 WeakPolarHBondContact CZ2-O 3.37Å
353	E	98.7	Very high	98.5	Very high	3 Å²	3	8 Å²	8	1%	0.014	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.9	-164.3	-63.1	172.6	-175.5	0	0	111	R243 V251 V252 C253 V303 I304 S351	R243-E353 WeakPolarHBondContact CG-OE2 3.34Å; R243-E353 IonicContact CZ-OE1 3.66Å; R243-E353 IonicContact CZ-OE2 3.46Å; R243-E353 IonicContact NE-OE1 3.66Å; R243-E353 IonicContact NE-OE2 2.67Å; R243-E353 PolarHBondContact NE-OE2 2.96Å; R243-E353 IonicContact NH2-OE1 2.8Å; R243-E353 PolarHBondContact NH2-OE1 3.46Å; R243-E353 IonicContact NH2-OE2 3.38Å; R243-E353 PolarHBondContact NH2-OE2 2.95Å; V251-E353 PolarHBondContact O-N 3.38Å; V252-E353 CarbonylContact C-O 3.55Å; V252-E353 WeakPolarHBondContact CA-O 3.45Å; C253-E353 PolarHBondContact N-O 3.27Å; V303-E353 HydrophobicContact CB-CB 4.28Å; I304-E353 CarbonylContact O-C 3.49Å; I304-E353 VanDerWaalsContact O-CA 3.24Å; I304-E353 WeakPolarHBondContact O-CA 3.5Å; S351-E353 WeakPolarHBondContact CB-OE1 3.1Å; S351-E353 PolarHBondContact OG-OE1 3.04Å
354	I	98.7	Very high	98.2	Very high	10 Å²	10	11.6 Å²	11.6	5%	0.051	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.4	168.3	-62	-178	0	0	0	107.7	C253 V255 P273 Q274 I275 V303 I304 P356	C253-I354 HydrophobicContact CB-CG1 4.26Å; C253-I354 WeakPolarHBondContact O-CA 3.36Å; V255-I354 HydrophobicContact CG2-CG2 3.88Å; P273-I354 HydrophobicContact CG-CG2 4.39Å; Q274-I354 WeakPolarHBondContact O-CD1 3.27Å; I275-I354 HydrophobicContact CB-CD1 4.28Å; I275-I354 HydrophobicContact CG2-CD1 4Å; V303-I354 WeakPolarHBondContact CA-O 3.37Å; I304-I354 PolarHBondContact N-O 3.02Å; I304-I354 PolarHBondContact O-N 3.37Å; I354-P356 WeakPolarHBondContact O-CD 3.46Å
355	H	98.4	Very high	97.9	Very high	15 Å²	15	13.3 Å²	13.3	7%	0.069	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.6	177.5	-163.5	-51.2	0	0	0	110.8	P239 L240 V252 C253 V303 C357 S358	P239-H355 WeakPolarHBondContact CB-CE1 3.46Å; P239-H355 WeakPolarHBondContact CB-ND1 3.44Å; P239-H355 WeakPolarHBondContact CB-NE2 3.49Å; P239-H355 PolarHBondContact O-CD2 3.3Å; L240-H355 HydrophobicContact CD2-CB 4.01Å; V252-H355 HydrophobicContact CG1-CB 3.86Å; C253-H355 PolarHBondContact O-N 3.22Å; V303-H355 HydrophobicContact CG1-CB 4.3Å; V303-H355 VanDerWaalsContact CG1-CD2 3.48Å; V303-H355 WeakPolarHBondContact CG1-CD2 3.43Å; H355-C357 PolarHBondContact ND1-N 2.99Å; H355-C357 VanDerWaalsContact ND1-N 3.18Å; H355-C357 PolarHBondContact O-N 2.69Å; H355-C357 VanDerWaalsContact O-N 3.12Å; H355-S358 PolarHBondContact O-N 2.93Å
356	P	97.9	Very high	97.4	Very high	8 Å²	8	18.9 Å²	18.9	5%	0.052	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-25.7	-174.7	-25.2	35.3	0	0	0	115	P300 D302 I304 I354 H359	P300-P356 WeakPolarHBondContact O-CB 3.45Å; D302-P356 WeakPolarHBondContact O-CD 3.12Å; D302-P356 WeakPolarHBondContact O-CG 3.41Å; I304-P356 HydrophobicContact CD1-CG 3.73Å; I304-P356 HydrophobicContact CG1-CG 4.05Å; I354-P356 WeakPolarHBondContact O-CD 3.46Å; P356-H359 PolarHBondContact O-CD2 2.92Å; P356-H359 VanDerWaalsContact O-CD2 3.27Å; P356-H359 PolarHBondContact O-NE2 3.27Å
357	C	98.1	Very high	96.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-2.5	175.7	-58.5	0	0	0	0	115.4	C124 L127 P239 H355	C124-C357 VanDerWaalsContact CA-SG 3.51Å; C124-C357 HydrophobicContact CB-CB 3.58Å; C124-C357 WeakPolarHBondContact CB-SG 3.37Å; C124-C357 WeakPolarHBondContact SG-CA 3.25Å; C124-C357 WeakPolarHBondContact SG-CB 3.45Å; C124-C357 CovalentContact SG-SG 2.04Å; C124-C357 PolarHBondContact SG-SG 2.87Å; L127-C357 HydrophobicContact CD1-CB 4.14Å; L127-C357 VanDerWaalsContact CD1-SG 3.54Å; P239-C357 HydrophobicContact CB-CB 4.33Å; P239-C357 HydrophobicContact CG-CB 4.03Å; H355-C357 PolarHBondContact ND1-N 2.99Å; H355-C357 VanDerWaalsContact ND1-N 3.18Å; H355-C357 PolarHBondContact O-N 2.69Å; H355-C357 VanDerWaalsContact O-N 3.12Å
358	S	98.4	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.8	176.3	-179.2	0	0	0	0	108.6	W236 L240 P254 V255 H355	W236-S358 VanDerWaalsContact O-CB 3.23Å; W236-S358 WeakPolarHBondContact O-CB 3.15Å; W236-S358 PolarHBondContact O-OG 2.94Å; L240-S358 WeakPolarHBondContact CD1-OG 3.29Å; L240-S358 WeakPolarHBondContact CD2-OG 3.45Å; L240-S358 WeakPolarHBondContact CG-OG 3.37Å; P254-S358 CarbonylContact C-O 3.6Å; P254-S358 VanDerWaalsContact CA-O 3.32Å; P254-S358 WeakPolarHBondContact CA-O 3.32Å; P254-S358 WeakPolarHBondContact CB-O 3.38Å; P254-S358 WeakPolarHBondContact CB-OG 3.34Å; V255-S358 PolarHBondContact N-O 3Å; H355-S358 PolarHBondContact O-N 2.93Å
359	H	98.4	Very high	94.7	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.1	-178	-78.7	-104	0	0	0	110.4	H233 D257 P356	H233-H359 HydrophobicContact CB-CB 3.67Å; H233-H359 WeakPolarHBondContact CB-O 3.36Å; H233-H359 PolarHBondContact N-O 2.85Å; D257-H359 IonicContact OD1-CE1 2.67Å; D257-H359 IonicContact OD1-ND1 3.75Å; D257-H359 PolarHBondContact OD1-ND1 3.22Å; D257-H359 WeakPolarHBondContact OD2-CB 3.16Å; D257-H359 IonicContact OD2-CE1 2.9Å; D257-H359 IonicContact OD2-CG 3.98Å; D257-H359 IonicContact OD2-ND1 3.95Å; D257-H359 PolarHBondContact OD2-ND1 3.31Å; P356-H359 PolarHBondContact O-CD2 2.92Å; P356-H359 VanDerWaalsContact O-CD2 3.27Å; P356-H359 PolarHBondContact O-NE2 3.27Å
360	V	98.8	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.8	172.7	-176.3	0	0	0	0	108.5	L226 C230 W236 P254 V255 I256 D257 L313	L226-V360 HydrophobicContact CD2-CG1 4.26Å; C230-V360 HydrophobicContact CB-CG1 3.85Å; W236-V360 HydrophobicContact CB-CG2 4.42Å; W236-V360 HydrophobicContact CD2-CG2 4.13Å; W236-V360 HydrophobicContact CE3-CG2 3.58Å; W236-V360 HydrophobicContact CG-CG2 4.5Å; W236-V360 HydrophobicContact CZ3-CG2 4.2Å; P254-V360 HydrophobicContact CB-CB 4.28Å; P254-V360 HydrophobicContact CB-CG2 3.79Å; P254-V360 HydrophobicContact CG-CB 4.18Å; P254-V360 HydrophobicContact CG-CG2 3.88Å; V255-V360 PolarHBondContact O-N 3.48Å; I256-V360 WeakPolarHBondContact CA-O 3.48Å; D257-V360 PolarHBondContact N-O 2.63Å; L313-V360 HydrophobicContact CD2-CB 3.64Å; L313-V360 HydrophobicContact CD2-CG1 3.4Å; L313-V360 VanDerWaalsContact CD2-CG1 3.4Å; L313-V360 HydrophobicContact CD2-CG2 4.39Å
361	G	98.3	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137	172	0	0	0	0	0	111	C230 E231 D257	C230-G361 CarbonylContact C-O 3.46Å; C230-G361 WeakPolarHBondContact CA-O 3.31Å; E231-G361 PolarHBondContact N-O 3.25Å; E231-G361 PolarHBondContact O-N 3.22Å; D257-G361 CarbonylContact O-C 3.58Å; D257-G361 WeakPolarHBondContact O-CA 3.45Å
362	H	98.3	Very high	91.5	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.065	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.1	178.9	-179.8	-83.4	0	0	0	110	D227 H229 I256 D257 I259 F364	D227-H362 IonicContact OD2-CD2 3.2Å; D227-H362 IonicContact OD2-NE2 2.76Å; D227-H362 PolarHBondContact OD2-NE2 2.76Å; D227-H362 VanDerWaalsContact OD2-NE2 3.09Å; H229-H362 AromaticContact CD2-CD2 3.89Å; H229-H362 AromaticContact CD2-CE1 3.69Å; H229-H362 AromaticContact CD2-NE2 3.4Å; H229-H362 PolarHBondContact CD2-NE2 3.2Å; H229-H362 AromaticContact NE2-CE1 3.52Å; H229-H362 AromaticContact NE2-NE2 3.18Å; H229-H362 PolarHBondContact NE2-NE2 2.99Å; H229-H362 VanDerWaalsContact NE2-NE2 3.18Å; I256-H362 HydrophobicContact CG2-CB 3.61Å; D257-H362 PolarHBondContact O-N 3.02Å; I259-H362 PolarHBondContact N-O 3.11Å; H362-F364 HydrophobicContact CB-CE2 4.07Å; H362-F364 HydrophobicContact CB-CZ 4.44Å; H362-F364 AromaticContact ND1-CD1 3.82Å; H362-F364 AromaticContact ND1-CD2 3.77Å; H362-F364 AromaticContact ND1-CE1 3.88Å; H362-F364 AromaticContact ND1-CE2 3.84Å; H362-F364 AromaticContact ND1-CG 3.77Å; H362-F364 AromaticContact ND1-CZ 3.9Å; H362-F364 WeakPolarHBondContact O-CD2 3.46Å; H362-F364 PolarHBondContact O-N 3.38Å
363	V	97.9	Very high	90.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	99.1	175.4	-171.9	0	0	0	0	109.6	I102 H229 I259 W261 F264 P365	I102-V363 HydrophobicContact CD1-CB 4.34Å; I102-V363 HydrophobicContact CD1-CG1 3.77Å; I102-V363 HydrophobicContact CG1-CG1 3.92Å; I102-V363 HydrophobicContact CG2-CG1 3.92Å; H229-V363 HydrophobicContact CB-CB 4.16Å; H229-V363 HydrophobicContact CB-CG2 4.26Å; H229-V363 PolarHBondContact CD2-O 2.98Å; H229-V363 PolarHBondContact O-N 2.86Å; H229-V363 VanDerWaalsContact O-N 3.07Å; I259-V363 HydrophobicContact CB-CG2 3.9Å; I259-V363 HydrophobicContact CD1-CG2 4.36Å; I259-V363 HydrophobicContact CG2-CG2 3.84Å; W261-V363 HydrophobicContact CB-CG1 3.99Å; F264-V363 HydrophobicContact CE1-CG2 4.17Å; V363-P365 VanDerWaalsContact O-CD 3.24Å; V363-P365 WeakPolarHBondContact O-CD 3.46Å
364	F	93.3	Very high	90.6	Very high	76 Å²	76	46 Å²	46	33%	0.333	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	109.5	175.1	-70.6	-87.1	0	0	0	110	I256 V258 W261 H362	I256-F364 HydrophobicContact CG2-CE2 4.05Å; I256-F364 HydrophobicContact CG2-CZ 3.77Å; V258-F364 HydrophobicContact CB-CD2 4.23Å; V258-F364 HydrophobicContact CB-CE2 4.42Å; V258-F364 HydrophobicContact CG1-CD2 4.1Å; V258-F364 HydrophobicContact CG2-CD2 3.85Å; V258-F364 HydrophobicContact CG2-CE2 3.8Å; W261-F364 WeakPolarHBondContact CB-O 3.36Å; H362-F364 HydrophobicContact CB-CE2 4.07Å; H362-F364 HydrophobicContact CB-CZ 4.44Å; H362-F364 AromaticContact ND1-CD1 3.82Å; H362-F364 AromaticContact ND1-CD2 3.77Å; H362-F364 AromaticContact ND1-CE1 3.88Å; H362-F364 AromaticContact ND1-CE2 3.84Å; H362-F364 AromaticContact ND1-CG 3.77Å; H362-F364 AromaticContact ND1-CZ 3.9Å; H362-F364 WeakPolarHBondContact O-CD2 3.46Å; H362-F364 PolarHBondContact O-N 3.38Å
365	P	90.7	Very high	90.2	Very high	37 Å²	37	46.6 Å²	46.6	24%	0.24	24%	0.241	C	C	.	.			trans	-67.3	152.8	-173.7	30	-36.3	0	0	0	111.3	Q101 I102 V363 K367 P369	Q101-P365 HydrophobicContact CB-CB 4.04Å; I102-P365 HydrophobicContact CD1-CB 4.43Å; I102-P365 HydrophobicContact CG1-CB 4.05Å; V363-P365 VanDerWaalsContact O-CD 3.24Å; V363-P365 WeakPolarHBondContact O-CD 3.46Å; P365-K367 WeakPolarHBondContact CB-O 3.1Å; P365-K367 PolarHBondContact O-N 3.44Å; P365-K367 VanDerWaalsContact O-N 3.16Å; P365-P369 HydrophobicContact CG-CG 4.48Å
366	K	88.9	Confident	90	Very high	117 Å²	117	47.9 Å²	47.9	51%	0.509	25%	0.248	S	C	.	.	S	Bend	trans	-53.3	-39.4	179.8	-171.7	-178.3	-173.1	171.4	0	112.7	I97 Q101 W261	I97-K366 HydrophobicContact CG2-CD 4.4Å; Q101-K366 HydrophobicContact CB-CB 4.42Å; Q101-K366 WeakPolarHBondContact O-CB 3.21Å; Q101-K366 PolarHBondContact O-N 3.23Å; W261-K366 HydrophobicContact CD2-CB 3.85Å; W261-K366 HydrophobicContact CE3-CB 4.19Å; W261-K366 HydrophobicContact CG-CB 4.39Å; W261-K366 HydrophobicContact CH2-CB 4.34Å; W261-K366 HydrophobicContact CH2-CD 3.64Å; W261-K366 HydrophobicContact CH2-CG 4.16Å; W261-K366 HydrophobicContact CZ2-CB 3.97Å; W261-K366 HydrophobicContact CZ2-CD 3.69Å; W261-K366 HydrophobicContact CZ2-CG 3.72Å; W261-K366 HydrophobicContact CZ3-CB 4.42Å; W261-K366 HydrophobicContact CZ3-CD 4.2Å
367	K	85	Confident	89.9	Confident	143 Å²	143	47.7 Å²	47.7	62%	0.622	25%	0.247	S	C	*	.	S	Bend	trans	-145.3	164.5	173.9	-63.7	-175.6	178.6	-178.9	0	108.3	Q101 P365 P369	Q101-K367 WeakPolarHBondContact CB-O 3.44Å; Q101-K367 HydrophobicContact CG-CB 4.38Å; P365-K367 WeakPolarHBondContact CB-O 3.1Å; P365-K367 PolarHBondContact O-N 3.44Å; P365-K367 VanDerWaalsContact O-N 3.16Å; K367-P369 VanDerWaalsContact O-CD 3.31Å; K367-P369 WeakPolarHBondContact O-CD 3.31Å; K367-P369 VanDerWaalsContact O-N 3.16Å
368	A	79.3	Confident	89.9	Confident	36 Å²	36	47.7 Å²	47.7	30%	0.298	25%	0.247	S	C	.	.			trans	-55.3	120.7	173.2	0	0	0	0	0	110.5	Y370 R372	A368-Y370 PolarHBondContact O-N 2.94Å; A368-R372 HydrophobicContact CB-CG 4.05Å
369	P	75.1	Confident	89.8	Confident	65 Å²	65	48.2 Å²	48.2	42%	0.422	25%	0.251	S	S	.	.	S	Bend	trans	-80.2	1.9	-177.9	29.5	-30.4	0	0	0	113.1	Q101 P365 K367	Q101-P369 HydrophobicContact CG-CB 4.28Å; P365-P369 HydrophobicContact CG-CG 4.48Å; K367-P369 VanDerWaalsContact O-CD 3.31Å; K367-P369 WeakPolarHBondContact O-CD 3.31Å; K367-P369 VanDerWaalsContact O-N 3.16Å
370	Y	72.3	Confident	89.8	Confident	85 Å²	85	48 Å²	48	33%	0.333	25%	0.25	S	C	.	.	S	Bend	trans	-144.2	162.4	-179.8	44.7	-100.8	0	0	0	111.2	W334 A368 R372	W334-Y370 HydrophobicContact CB-CD2 4.32Å; W334-Y370 HydrophobicContact CB-CE2 3.7Å; W334-Y370 AromaticContact CD1-CE2 3.72Å; W334-Y370 AromaticContact CD1-CZ 3.83Å; W334-Y370 AromaticContact CD2-CE2 4Å; W334-Y370 HydrophobicContact CD2-CE2 4Å; W334-Y370 AromaticContact CG-CE2 3.5Å; W334-Y370 HydrophobicContact CG-CE2 3.5Å; W334-Y370 PolarHBondContact NE1-OH 3.01Å; A368-Y370 PolarHBondContact O-N 2.94Å; Y370-R372 PolarHBondContact O-N 3.4Å
371	S	76.6	Confident	89.8	Confident	76 Å²	76	48.7 Å²	48.7	53%	0.531	25%	0.252	S	S	.	.			trans	-60.1	133.5	177.6	-179.3	0	0	0	0	111.6	S373	S371-S373 PolarHBondContact OG-N 3.48Å; S371-S373 PolarHBondContact OG-OG 3.01Å; S371-S373 VanDerWaalsContact OG-OG 3.13Å
372	R	80.1	Confident	89.8	Confident	120 Å²	120	48.8 Å²	48.8	45%	0.453	25%	0.253	S	S	.	.			trans	-106	17.9	174.6	-66.3	-174.9	166.3	176.6	2.1	112.8	W334 A368 Y370 K374 A375	W334-R372 HydrophobicContact CD2-CG 4.49Å; W334-R372 HydrophobicContact CE3-CB 4.24Å; W334-R372 HydrophobicContact CE3-CG 3.65Å; W334-R372 VanDerWaalsContact CH2-CZ 3.41Å; W334-R372 HydrophobicContact CZ3-CB 4.38Å; W334-R372 HydrophobicContact CZ3-CG 3.82Å; W334-R372 VanDerWaalsContact CZ3-NE 3.29Å; A368-R372 HydrophobicContact CB-CG 4.05Å; Y370-R372 PolarHBondContact O-N 3.4Å; R372-K374 PolarHBondContact O-N 3.22Å; R372-A375 WeakPolarHBondContact O-CB 3.22Å; R372-A375 PolarHBondContact O-N 3.02Å; R372-A375 VanDerWaalsContact O-N 3.1Å
373	S	86.4	Confident	89.8	Confident	83 Å²	83	48.1 Å²	48.1	58%	0.58	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22	-174	57.2	0	0	0	0	114.4	S371	S371-S373 PolarHBondContact OG-N 3.48Å; S371-S373 PolarHBondContact OG-OG 3.01Å; S371-S373 VanDerWaalsContact OG-OG 3.13Å
374	K	90.7	Very high	89.8	Confident	72 Å²	72	50 Å²	50	31%	0.313	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.4	-179.2	-63.4	-64.3	-175	156.5	0	114.8	E332 V333 R372 L376 A377 N378	E332-K374 HydrophobicContact CB-CB 4.06Å; E332-K374 HydrophobicContact CB-CD 4.28Å; E332-K374 HydrophobicContact CB-CG 3.9Å; E332-K374 WeakPolarHBondContact O-CB 3.35Å; E332-K374 VanDerWaalsContact OE2-CD 3.31Å; E332-K374 WeakPolarHBondContact OE2-CD 3.07Å; E332-K374 WeakPolarHBondContact OE2-CE 3.36Å; E332-K374 IonicContact OE2-NZ 2.65Å; E332-K374 PolarHBondContact OE2-NZ 3.46Å; V333-K374 HydrophobicContact CG2-CG 4.37Å; R372-K374 PolarHBondContact O-N 3.22Å; K374-L376 PolarHBondContact O-N 3.49Å; K374-A377 PolarHBondContact O-N 3.22Å; K374-N378 PolarHBondContact O-N 3.18Å; K374-N378 PolarHBondContact O-ND2 2.85Å; K374-N378 PolarHBondContact O-OD1 3.25Å
375	A	91.9	Very high	90.1	Very high	22 Å²	22	46.4 Å²	46.4	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-38.2	-178.8	0	0	0	0	0	111.9	W334 R372 N378 S379	W334-A375 HydrophobicContact CE3-CB 4.37Å; W334-A375 HydrophobicContact CZ3-CB 4.32Å; R372-A375 WeakPolarHBondContact O-CB 3.22Å; R372-A375 PolarHBondContact O-N 3.02Å; R372-A375 VanDerWaalsContact O-N 3.1Å; A375-N378 PolarHBondContact O-N 3.31Å; A375-S379 WeakPolarHBondContact O-CB 3.49Å; A375-S379 PolarHBondContact O-N 2.78Å; A375-S379 PolarHBondContact O-OG 3.38Å
376	L	94.4	Very high	90.5	Very high	42 Å²	42	44.7 Å²	44.7	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-49.8	178.3	-173.3	60	0	0	0	112.1	K374 N378 S379 V380 F394 N398 H400 A401 E404	K374-L376 PolarHBondContact O-N 3.49Å; L376-N378 VanDerWaalsContact C-N 3.3Å; L376-N378 PolarHBondContact O-N 3.17Å; L376-S379 PolarHBondContact O-N 2.7Å; L376-V380 WeakPolarHBondContact O-CG2 3.41Å; L376-V380 PolarHBondContact O-N 2.64Å; L376-F394 HydrophobicContact CD1-CZ 4.14Å; L376-N398 VanDerWaalsContact CD1-ND2 3.25Å; L376-N398 WeakPolarHBondContact CD1-ND2 3.42Å; L376-H400 HydrophobicContact CD2-CB 4.47Å; L376-A401 HydrophobicContact CD1-CB 3.8Å; L376-A401 HydrophobicContact CG-CB 4.44Å; L376-E404 HydrophobicContact CB-CG 4.36Å; L376-E404 HydrophobicContact CD2-CB 4.21Å; L376-E404 HydrophobicContact CD2-CG 4.2Å; L376-E404 HydrophobicContact CG-CB 4.25Å; L376-E404 HydrophobicContact CG-CG 4.01Å
377	A	96.1	Very high	90.9	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-44.1	177.6	0	0	0	0	0	111.2	K374 V380 R381 E404	K374-A377 PolarHBondContact O-N 3.22Å; A377-V380 WeakPolarHBondContact O-CB 2.95Å; A377-V380 PolarHBondContact O-N 2.82Å; A377-R381 WeakPolarHBondContact O-CG 3.47Å; A377-R381 PolarHBondContact O-N 2.73Å; A377-E404 HydrophobicContact CB-CG 3.79Å
378	N	96.4	Very high	91.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-42.3	177.6	-63	-15.3	0	0	0	112.1	M331 E332 G335 K374 A375 L376 V380 R381 A382	M331-N378 VanDerWaalsContact CA-OD1 3.31Å; M331-N378 WeakPolarHBondContact CA-OD1 3.24Å; M331-N378 HydrophobicContact CB-CB 4.48Å; M331-N378 HydrophobicContact CE-CB 4.36Å; M331-N378 WeakPolarHBondContact CE-O 3.23Å; M331-N378 HydrophobicContact CG-CB 4.11Å; M331-N378 HydrophobicContact SD-CB 4.42Å; E332-N378 PolarHBondContact N-OD1 2.92Å; E332-N378 PolarHBondContact O-ND2 2.93Å; G335-N378 WeakPolarHBondContact O-CB 3.4Å; G335-N378 PolarHBondContact O-ND2 3.43Å; K374-N378 PolarHBondContact O-N 3.18Å; K374-N378 PolarHBondContact O-ND2 2.85Å; K374-N378 PolarHBondContact O-OD1 3.25Å; A375-N378 PolarHBondContact O-N 3.31Å; L376-N378 VanDerWaalsContact C-N 3.3Å; L376-N378 PolarHBondContact O-N 3.17Å; N378-V380 VanDerWaalsContact C-N 3.3Å; N378-V380 PolarHBondContact O-N 2.75Å; N378-R381 WeakPolarHBondContact O-CB 3.21Å; N378-R381 PolarHBondContact O-N 2.96Å; N378-A382 PolarHBondContact O-N 3.25Å
379	S	97.4	Very high	92.4	Very high	11 Å²	11	38.2 Å²	38.2	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-36.8	174.2	-68.5	0	0	0	0	112.1	A375 L376 A382 A383	A375-S379 WeakPolarHBondContact O-CB 3.49Å; A375-S379 PolarHBondContact O-N 2.78Å; A375-S379 PolarHBondContact O-OG 3.38Å; L376-S379 PolarHBondContact O-N 2.7Å; S379-A382 WeakPolarHBondContact O-CB 3.07Å; S379-A382 PolarHBondContact O-N 3Å; S379-A383 WeakPolarHBondContact O-CB 3.35Å; S379-A383 PolarHBondContact O-N 2.81Å
380	V	98.2	Very high	93.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-43.4	173.1	173.4	0	0	0	0	111.2	L376 A377 N378 A382 A383 E384 F394 Y395 A401 E404 F406	L376-V380 WeakPolarHBondContact O-CG2 3.41Å; L376-V380 PolarHBondContact O-N 2.64Å; A377-V380 WeakPolarHBondContact O-CB 2.95Å; A377-V380 PolarHBondContact O-N 2.82Å; N378-V380 VanDerWaalsContact C-N 3.3Å; N378-V380 PolarHBondContact O-N 2.75Å; V380-A382 VanDerWaalsContact C-N 3.29Å; V380-A382 PolarHBondContact O-N 3.07Å; V380-A383 PolarHBondContact O-N 3.08Å; V380-E384 HydrophobicContact CG1-CG 4.14Å; V380-E384 WeakPolarHBondContact O-CB 3.46Å; V380-E384 WeakPolarHBondContact O-CG 3.23Å; V380-E384 PolarHBondContact O-N 2.96Å; V380-F394 HydrophobicContact CG2-CE1 3.93Å; V380-F394 HydrophobicContact CG2-CZ 4.25Å; V380-Y395 HydrophobicContact CG2-CE1 4.33Å; V380-A401 HydrophobicContact CG2-CB 3.87Å; V380-A401 WeakPolarHBondContact CG2-O 3.09Å; V380-E404 HydrophobicContact CG2-CB 4.31Å; V380-F406 HydrophobicContact CB-CB 3.99Å; V380-F406 HydrophobicContact CB-CD1 4.45Å; V380-F406 HydrophobicContact CB-CG 4.35Å; V380-F406 HydrophobicContact CG1-CB 3.68Å; V380-F406 HydrophobicContact CG1-CD1 3.3Å; V380-F406 HydrophobicContact CG1-CD2 4.28Å; V380-F406 HydrophobicContact CG1-CE1 3.93Å; V380-F406 HydrophobicContact CG1-CG 3.5Å; V380-F406 VanDerWaalsContact CG1-CG 3.5Å
381	R	98.2	Very high	94.7	Very high	14 Å²	14	35 Å²	35	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-57.6	-43.5	173.8	-62.6	178.6	65.8	77.6	1.1	111.5	D328 M331 A377 N378 V385 F406 D408 V409	D328-R381 VanDerWaalsContact CG-NH2 3.33Å; D328-R381 IonicContact OD1-CZ 2.67Å; D328-R381 IonicContact OD1-NE 3.58Å; D328-R381 IonicContact OD1-NH2 3.79Å; D328-R381 PolarHBondContact OD1-NH2 3.3Å; D328-R381 IonicContact OD2-CZ 3.78Å; D328-R381 VanDerWaalsContact OD2-CZ 3.27Å; D328-R381 IonicContact OD2-NE 3.2Å; D328-R381 PolarHBondContact OD2-NE 3Å; D328-R381 IonicContact OD2-NH2 2.59Å; D328-R381 PolarHBondContact OD2-NH2 2.89Å; M331-R381 HydrophobicContact CE-CB 4.39Å; A377-R381 WeakPolarHBondContact O-CG 3.47Å; A377-R381 PolarHBondContact O-N 2.73Å; N378-R381 WeakPolarHBondContact O-CB 3.21Å; N378-R381 PolarHBondContact O-N 2.96Å; R381-V385 VanDerWaalsContact O-CG2 3.29Å; R381-V385 WeakPolarHBondContact O-CG2 3.37Å; R381-V385 PolarHBondContact O-N 2.69Å; R381-F406 WeakPolarHBondContact CD-O 3.17Å; R381-F406 HydrophobicContact CG-CB 3.85Å; R381-F406 HydrophobicContact CG-CD2 4.17Å; R381-F406 HydrophobicContact CG-CG 4.5Å; R381-F406 WeakPolarHBondContact CG-O 3.3Å; R381-F406 PolarHBondContact NH1-O 2.87Å; R381-D408 PolarHBondContact NH1-O 3.27Å; R381-D408 PolarHBondContact NH2-O 3.4Å; R381-V409 HydrophobicContact CB-CG1 4.14Å; R381-V409 HydrophobicContact CG-CG1 4.12Å
382	A	98.4	Very high	95.6	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-46.5	177	0	0	0	0	0	111.6	M331 E340 N378 S379 V380 V385 W386	M331-A382 HydrophobicContact CE-CB 4.38Å; E340-A382 HydrophobicContact CB-CB 3.71Å; E340-A382 HydrophobicContact CG-CB 3.95Å; N378-A382 PolarHBondContact O-N 3.25Å; S379-A382 WeakPolarHBondContact O-CB 3.07Å; S379-A382 PolarHBondContact O-N 3Å; V380-A382 VanDerWaalsContact C-N 3.29Å; V380-A382 PolarHBondContact O-N 3.07Å; A382-V385 PolarHBondContact O-N 3.02Å; A382-W386 WeakPolarHBondContact O-CB 3.37Å; A382-W386 PolarHBondContact O-N 2.76Å
383	A	98.5	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-50	179.2	0	0	0	0	0	112	L282 S379 V380 V385 W386 M387 K391 F394	L282-A383 HydrophobicContact CD1-CB 3.87Å; S379-A383 WeakPolarHBondContact O-CB 3.35Å; S379-A383 PolarHBondContact O-N 2.81Å; V380-A383 PolarHBondContact O-N 3.08Å; A383-V385 VanDerWaalsContact C-N 3.26Å; A383-V385 PolarHBondContact O-N 3.15Å; A383-W386 PolarHBondContact O-N 2.94Å; A383-M387 HydrophobicContact CB-SD 3.74Å; A383-M387 WeakPolarHBondContact O-CB 3.34Å; A383-M387 PolarHBondContact O-N 3.03Å; A383-K391 HydrophobicContact CB-CB 4.04Å; A383-F394 HydrophobicContact CB-CD1 4.07Å; A383-F394 HydrophobicContact CB-CE1 4.39Å
384	E	98.3	Very high	96.8	Very high	40 Å²	40	25.5 Å²	25.5	19%	0.187	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-31.4	-177.5	-77.2	-62.4	150.9	0	0	113.3	V380 K391 Y395 F406 V409 M413	V380-E384 HydrophobicContact CG1-CG 4.14Å; V380-E384 WeakPolarHBondContact O-CB 3.46Å; V380-E384 WeakPolarHBondContact O-CG 3.23Å; V380-E384 PolarHBondContact O-N 2.96Å; E384-K391 IonicContact OE1-NZ 2.96Å; E384-K391 PolarHBondContact OE1-NZ 2.91Å; E384-K391 IonicContact OE2-NZ 3.79Å; E384-K391 PolarHBondContact OE2-NZ 3.32Å; E384-Y395 PolarHBondContact OE1-OH 3.23Å; E384-F406 HydrophobicContact CB-CE2 4.35Å; E384-F406 HydrophobicContact CG-CE1 4.33Å; E384-F406 HydrophobicContact CG-CE2 4.01Å; E384-F406 HydrophobicContact CG-CZ 3.85Å; E384-V409 HydrophobicContact CB-CG2 4.49Å; E384-M413 VanDerWaalsContact O-CE 3.29Å; E384-M413 WeakPolarHBondContact O-CE 3.29Å
385	V	98.6	Very high	97	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-89.7	-38.7	-179.2	-179.8	0	0	0	0	112.2	R381 A382 A383 V409 R412 M413 R416	R381-V385 VanDerWaalsContact O-CG2 3.29Å; R381-V385 WeakPolarHBondContact O-CG2 3.37Å; R381-V385 PolarHBondContact O-N 2.69Å; A382-V385 PolarHBondContact O-N 3.02Å; A383-V385 VanDerWaalsContact C-N 3.26Å; A383-V385 PolarHBondContact O-N 3.15Å; V385-V409 HydrophobicContact CG2-CB 3.72Å; V385-V409 HydrophobicContact CG2-CG1 4.12Å; V385-V409 HydrophobicContact CG2-CG2 4.24Å; V385-R412 HydrophobicContact CB-CB 4.49Å; V385-R412 HydrophobicContact CG1-CB 3.93Å; V385-R412 HydrophobicContact CG2-CB 3.73Å; V385-M413 HydrophobicContact CG2-CG 4.4Å; V385-R416 WeakPolarHBondContact O-CD 3.3Å; V385-R416 PolarHBondContact O-NH1 3.01Å
386	W	98.7	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-119.1	-12.4	-160.8	-61.4	103.8	0	0	0	115.8	E340 F343 R344 Q347 C348 A382 A383 R416 C421 F424	E340-W386 PolarHBondContact OE1-NE1 2.81Å; F343-W386 HydrophobicContact CB-CB 3.95Å; F343-W386 HydrophobicContact CB-CG 4.21Å; F343-W386 HydrophobicContact CD2-CB 4.08Å; F343-W386 HydrophobicContact CG-CB 4.48Å; R344-W386 HydrophobicContact CB-CD2 4.37Å; R344-W386 HydrophobicContact CB-CE3 4.37Å; R344-W386 HydrophobicContact CB-CH2 3.58Å; R344-W386 HydrophobicContact CB-CZ2 3.54Å; R344-W386 HydrophobicContact CB-CZ3 3.99Å; R344-W386 HydrophobicContact CG-CH2 3.49Å; R344-W386 VanDerWaalsContact CG-CH2 3.49Å; R344-W386 HydrophobicContact CG-CZ2 3.73Å; R344-W386 HydrophobicContact CG-CZ3 4.2Å; Q347-W386 HydrophobicContact CB-CE3 4.49Å; Q347-W386 HydrophobicContact CB-CZ3 4.48Å; Q347-W386 PolarHBondContact NE2-O 3.01Å; Q347-W386 PolarHBondContact OE1-O 2.91Å; C348-W386 VanDerWaalsContact SG-CZ3 3.56Å; A382-W386 WeakPolarHBondContact O-CB 3.37Å; A382-W386 PolarHBondContact O-N 2.76Å; A383-W386 PolarHBondContact O-N 2.94Å; W386-R416 HydrophobicContact CE3-CG 4.22Å; W386-R416 HydrophobicContact CH2-CB 4.04Å; W386-R416 HydrophobicContact CH2-CG 4.13Å; W386-R416 HydrophobicContact CZ3-CB 4.14Å; W386-R416 HydrophobicContact CZ3-CG 3.7Å; W386-C421 HydrophobicContact CZ3-CB 4.27Å; W386-F424 WeakPolarHBondContact O-CB 3.32Å; W386-F424 WeakPolarHBondContact O-CD2 3.44Å
387	M	98.6	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.			trans	-102.1	-4.8	-172.5	-67.2	179.9	71	0	0	115.4	W280 L282 F343 A383 E389 Y390 K391 F394 F424	W280-M387 HydrophobicContact CE3-CE 4.26Å; W280-M387 HydrophobicContact CZ3-CE 3.93Å; L282-M387 HydrophobicContact CD1-SD 3.68Å; L282-M387 HydrophobicContact CD2-CE 3.89Å; L282-M387 HydrophobicContact CD2-SD 3.6Å; L282-M387 HydrophobicContact CG-SD 4.17Å; F343-M387 HydrophobicContact CE2-CG 4.2Å; F343-M387 HydrophobicContact CE2-SD 4.41Å; A383-M387 HydrophobicContact CB-SD 3.74Å; A383-M387 WeakPolarHBondContact O-CB 3.34Å; A383-M387 PolarHBondContact O-N 3.03Å; M387-E389 PolarHBondContact O-N 2.73Å; M387-Y390 VanDerWaalsContact O-CB 3.31Å; M387-Y390 WeakPolarHBondContact O-CB 3.47Å; M387-Y390 PolarHBondContact O-N 2.81Å; M387-K391 HydrophobicContact CB-CB 4.09Å; M387-F394 HydrophobicContact CE-CB 4.49Å; M387-F424 HydrophobicContact CB-CD1 4.37Å; M387-F424 HydrophobicContact CB-CD2 4.49Å; M387-F424 HydrophobicContact CB-CG 4.33Å; M387-F424 HydrophobicContact CE-CE1 4.08Å; M387-F424 HydrophobicContact CE-CZ 4.18Å; M387-F424 HydrophobicContact CG-CD1 4.48Å; M387-F424 HydrophobicContact CG-CD2 4.18Å; M387-F424 HydrophobicContact CG-CE1 4.23Å; M387-F424 HydrophobicContact CG-CE2 3.92Å; M387-F424 HydrophobicContact CG-CG 4.44Å; M387-F424 HydrophobicContact CG-CZ 3.94Å
388	D	98.5	Very high	96.7	Very high	43 Å²	43	22.6 Å²	22.6	23%	0.23	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	51.3	-132	-179.5	-54.2	-46	0	0	0	111.6	Y390 K391 R416 N423 F424	D388-Y390 PolarHBondContact O-N 3.24Å; D388-K391 WeakPolarHBondContact O-CD 3.39Å; D388-K391 VanDerWaalsContact O-CG 3.24Å; D388-K391 WeakPolarHBondContact O-CG 3.47Å; D388-R416 VanDerWaalsContact CG-NH2 3.27Å; D388-R416 IonicContact OD1-CZ 2.82Å; D388-R416 VanDerWaalsContact OD1-CZ 3.22Å; D388-R416 IonicContact OD1-NH1 3.47Å; D388-R416 PolarHBondContact OD1-NH1 3.49Å; D388-R416 IonicContact OD1-NH2 2.63Å; D388-R416 PolarHBondContact OD1-NH2 2.86Å; D388-R416 IonicContact OD2-CZ 2.69Å; D388-R416 IonicContact OD2-NH1 2.7Å; D388-R416 IonicContact OD2-NH2 2.85Å; D388-R416 PolarHBondContact OD2-NH2 3.49Å; D388-N423 WeakPolarHBondContact OD2-CA 3.35Å; D388-N423 VanDerWaalsContact OD2-CB 3.29Å; D388-N423 WeakPolarHBondContact OD2-CB 3.3Å; D388-F424 HydrophobicContact CB-CB 4.49Å; D388-F424 PolarHBondContact OD2-N 3.24Å
389	E	97.6	Very high	96.3	Very high	117 Å²	117	23.9 Å²	23.9	55%	0.547	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-66.2	-21.7	176.5	65.3	-86.7	-158.9	0	0	114	M387 K391 E392	M387-E389 PolarHBondContact O-N 2.73Å; E389-K391 PolarHBondContact O-N 2.57Å; E389-E392 PolarHBondContact O-N 3.11Å
390	Y	98.1	Very high	95.9	Very high	37 Å²	37	28.5 Å²	28.5	15%	0.145	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-73.3	-10.7	-176.4	-62.8	-91.5	0	0	0	113.2	W280 M387 D388 E392 L393 F424 K425 L428 V437	W280-Y390 HydrophobicContact CH2-CD1 4.18Å; M387-Y390 VanDerWaalsContact O-CB 3.31Å; M387-Y390 WeakPolarHBondContact O-CB 3.47Å; M387-Y390 PolarHBondContact O-N 2.81Å; D388-Y390 PolarHBondContact O-N 3.24Å; Y390-E392 PolarHBondContact O-N 3.1Å; Y390-L393 HydrophobicContact CD1-CD1 4Å; Y390-L393 WeakPolarHBondContact O-CB 3.41Å; Y390-L393 PolarHBondContact O-N 3.05Å; Y390-F424 HydrophobicContact CD2-CB 4.15Å; Y390-F424 AromaticContact CD2-CD1 3.74Å; Y390-F424 HydrophobicContact CD2-CD1 3.74Å; Y390-F424 HydrophobicContact CD2-CG 4.44Å; Y390-F424 AromaticContact CG-CD1 3.75Å; Y390-F424 HydrophobicContact CG-CD1 3.75Å; Y390-F424 HydrophobicContact CG-CE1 4.37Å; Y390-K425 HydrophobicContact CE2-CB 3.89Å; Y390-K425 WeakPolarHBondContact OH-CG 3.37Å; Y390-L428 HydrophobicContact CD1-CD1 3.63Å; Y390-L428 HydrophobicContact CD2-CD1 4.38Å; Y390-L428 HydrophobicContact CE1-CD1 3.5Å; Y390-L428 VanDerWaalsContact CE1-CD1 3.5Å; Y390-L428 HydrophobicContact CE2-CD1 4.28Å; Y390-L428 HydrophobicContact CG-CD1 4.07Å; Y390-V437 HydrophobicContact CD1-CG1 4.21Å; Y390-V437 HydrophobicContact CE1-CG1 3.88Å
391	K	97.5	Very high	95.6	Very high	47 Å²	47	28.5 Å²	28.5	20%	0.204	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-26.5	172.3	70.8	-172.5	-177.5	160.5	0	112.6	A383 E384 M387 D388 E389 L393 F394 Y395	A383-K391 HydrophobicContact CB-CB 4.04Å; E384-K391 IonicContact OE1-NZ 2.96Å; E384-K391 PolarHBondContact OE1-NZ 2.91Å; E384-K391 IonicContact OE2-NZ 3.79Å; E384-K391 PolarHBondContact OE2-NZ 3.32Å; M387-K391 HydrophobicContact CB-CB 4.09Å; D388-K391 WeakPolarHBondContact O-CD 3.39Å; D388-K391 VanDerWaalsContact O-CG 3.24Å; D388-K391 WeakPolarHBondContact O-CG 3.47Å; E389-K391 PolarHBondContact O-N 2.57Å; K391-L393 VanDerWaalsContact C-N 3.27Å; K391-L393 PolarHBondContact O-N 2.92Å; K391-F394 WeakPolarHBondContact O-CB 3.25Å; K391-F394 PolarHBondContact O-N 3.15Å; K391-F394 VanDerWaalsContact O-N 3.11Å; K391-Y395 HydrophobicContact CB-CD2 4.46Å; K391-Y395 HydrophobicContact CB-CE2 4.05Å; K391-Y395 HydrophobicContact CD-CE2 4.1Å; K391-Y395 HydrophobicContact CG-CD2 4.27Å; K391-Y395 HydrophobicContact CG-CE2 3.86Å; K391-Y395 WeakPolarHBondContact O-CD2 3.29Å; K391-Y395 PolarHBondContact O-N 2.82Å
392	E	96.1	Very high	95.3	Very high	65 Å²	65	33.1 Å²	33.1	30%	0.304	15%	0.153	S	C	.	.	H	α-helix	trans	-62.6	-35.9	176.7	-63.3	-54.7	133.6	0	0	111.8	E389 Y390 F394 Y395 H396 R402	E389-E392 PolarHBondContact O-N 3.11Å; Y390-E392 PolarHBondContact O-N 3.1Å; E392-F394 PolarHBondContact O-N 2.77Å; E392-Y395 CarbonylContact O-C 3.46Å; E392-Y395 PolarHBondContact O-N 3.37Å; E392-Y395 VanDerWaalsContact O-N 3.08Å; E392-H396 PolarHBondContact O-CD2 3.42Å; E392-H396 PolarHBondContact O-N 3.15Å; E392-H396 PolarHBondContact O-ND1 3.36Å; E392-R402 IonicContact OE1-NH1 3.65Å; E392-R402 IonicContact OE2-CZ 4Å; E392-R402 IonicContact OE2-NH1 2.83Å; E392-R402 PolarHBondContact OE2-NH1 2.88Å; E392-R402 IonicContact OE2-NH2 3.99Å; E392-R402 PolarHBondContact OE2-NH2 2.8Å
393	L	95.8	Very high	95	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-36.3	175.4	-54.8	-176.5	0	0	0	111.8	W280 Y390 K391 R397 V437 P438 D440	W280-L393 HydrophobicContact CD2-CB 4.25Å; W280-L393 HydrophobicContact CD2-CD1 4.27Å; W280-L393 HydrophobicContact CE3-CB 3.74Å; W280-L393 HydrophobicContact CE3-CD1 3.95Å; W280-L393 HydrophobicContact CE3-CG 4.48Å; W280-L393 HydrophobicContact CH2-CD1 3.75Å; W280-L393 HydrophobicContact CZ2-CD1 4.08Å; W280-L393 HydrophobicContact CZ3-CB 4.13Å; W280-L393 HydrophobicContact CZ3-CD1 3.69Å; W280-L393 HydrophobicContact CZ3-CG 4.46Å; Y390-L393 HydrophobicContact CD1-CD1 4Å; Y390-L393 WeakPolarHBondContact O-CB 3.41Å; Y390-L393 PolarHBondContact O-N 3.05Å; K391-L393 VanDerWaalsContact C-N 3.27Å; K391-L393 PolarHBondContact O-N 2.92Å; L393-R397 PolarHBondContact O-N 3.45Å; L393-R397 PolarHBondContact O-NH1 3.33Å; L393-V437 HydrophobicContact CD1-CG1 4.22Å; L393-P438 HydrophobicContact CD1-CB 4.44Å; L393-P438 HydrophobicContact CD2-CB 4.17Å; L393-D440 HydrophobicContact CD2-CB 3.87Å; L393-D440 VanDerWaalsContact CD2-OD2 3.22Å; L393-D440 WeakPolarHBondContact CD2-OD2 3.37Å
394	F	95.4	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-45.7	172.8	160.4	-111.9	0	0	0	111.8	W280 R281 L282 L376 V380 A383 M387 K391 E392 H396 R397 N398 A401	W280-F394 VanDerWaalsContact O-CA 3.23Å; W280-F394 WeakPolarHBondContact O-CA 3.24Å; R281-F394 WeakPolarHBondContact O-CE2 3.29Å; L282-F394 HydrophobicContact CB-CD2 4.12Å; L282-F394 HydrophobicContact CB-CE2 4.14Å; L282-F394 HydrophobicContact CD1-CB 4.3Å; L282-F394 HydrophobicContact CD1-CD1 3.91Å; L282-F394 HydrophobicContact CD1-CD2 3.81Å; L282-F394 HydrophobicContact CD1-CE1 4.12Å; L282-F394 HydrophobicContact CD1-CE2 4.04Å; L282-F394 HydrophobicContact CD1-CG 3.73Å; L282-F394 HydrophobicContact CD1-CZ 4.18Å; L282-F394 HydrophobicContact CG-CB 4.26Å; L282-F394 HydrophobicContact CG-CD2 3.64Å; L282-F394 HydrophobicContact CG-CE2 4.08Å; L282-F394 HydrophobicContact CG-CG 3.92Å; L376-F394 HydrophobicContact CD1-CZ 4.14Å; V380-F394 HydrophobicContact CG2-CE1 3.93Å; V380-F394 HydrophobicContact CG2-CZ 4.25Å; A383-F394 HydrophobicContact CB-CD1 4.07Å; A383-F394 HydrophobicContact CB-CE1 4.39Å; M387-F394 HydrophobicContact CE-CB 4.49Å; K391-F394 WeakPolarHBondContact O-CB 3.25Å; K391-F394 PolarHBondContact O-N 3.15Å; K391-F394 VanDerWaalsContact O-N 3.11Å; E392-F394 PolarHBondContact O-N 2.77Å; F394-H396 VanDerWaalsContact C-N 3.32Å; F394-H396 PolarHBondContact O-N 3.45Å; F394-R397 PolarHBondContact O-N 3.44Å; F394-N398 HydrophobicContact CE2-CB 4.14Å; F394-N398 PolarHBondContact O-N 3.39Å; F394-A401 HydrophobicContact CD1-CB 4.48Å; F394-A401 HydrophobicContact CE1-CB 3.54Å; F394-A401 HydrophobicContact CE2-CB 4.33Å; F394-A401 HydrophobicContact CZ-CB 3.44Å; F394-A401 VanDerWaalsContact CZ-CB 3.44Å
395	Y	94.5	Very high	94.7	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-31.8	178.5	-67.9	-51.9	0	0	0	113.8	V380 E384 K391 E392 N398 P399 A401 R402	V380-Y395 HydrophobicContact CG2-CE1 4.33Å; E384-Y395 PolarHBondContact OE1-OH 3.23Å; K391-Y395 HydrophobicContact CB-CD2 4.46Å; K391-Y395 HydrophobicContact CB-CE2 4.05Å; K391-Y395 HydrophobicContact CD-CE2 4.1Å; K391-Y395 HydrophobicContact CG-CD2 4.27Å; K391-Y395 HydrophobicContact CG-CE2 3.86Å; K391-Y395 WeakPolarHBondContact O-CD2 3.29Å; K391-Y395 PolarHBondContact O-N 2.82Å; E392-Y395 CarbonylContact O-C 3.46Å; E392-Y395 PolarHBondContact O-N 3.37Å; E392-Y395 VanDerWaalsContact O-N 3.08Å; Y395-N398 CarbonylContact O-C 3.54Å; Y395-P399 VanDerWaalsContact O-CA 3.29Å; Y395-P399 WeakPolarHBondContact O-CA 3.47Å; Y395-P399 VanDerWaalsContact O-N 3.17Å; Y395-A401 HydrophobicContact CD1-CB 3.79Å; Y395-A401 HydrophobicContact CE1-CB 3.88Å; Y395-R402 HydrophobicContact CD1-CB 4.39Å; Y395-R402 HydrophobicContact CD1-CG 3.56Å; Y395-R402 HydrophobicContact CE1-CG 4.32Å; Y395-R402 HydrophobicContact CG-CG 3.72Å
396	H	93.5	Very high	94.5	Very high	35 Å²	35	49.7 Å²	49.7	16%	0.162	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-40.2	174.9	-62.4	159.4	0	0	0	112.1	E392 F394 R402 D440 F445 F486	E392-H396 PolarHBondContact O-CD2 3.42Å; E392-H396 PolarHBondContact O-N 3.15Å; E392-H396 PolarHBondContact O-ND1 3.36Å; F394-H396 VanDerWaalsContact C-N 3.32Å; F394-H396 PolarHBondContact O-N 3.45Å; H396-R402 PolarHBondContact CD2-NH2 2.76Å; H396-D440 IonicContact CE1-OD2 2.82Å; H396-D440 IonicContact CG-OD2 3.94Å; H396-D440 WeakPolarHBondContact ND1-CB 3.48Å; H396-D440 IonicContact ND1-OD2 2.72Å; H396-D440 PolarHBondContact ND1-OD2 2.9Å; H396-F445 HydrophobicContact CB-CD2 4.29Å; H396-F445 HydrophobicContact CB-CE2 3.88Å; H396-F445 AromaticContact CD2-CE2 3.72Å; H396-F445 AromaticContact CD2-CZ 3.77Å; H396-F445 AromaticContact CE1-CZ 3.52Å; H396-F445 AromaticContact CG-CE2 3.52Å; H396-F445 AromaticContact CG-CZ 3.82Å; H396-F445 AromaticContact ND1-CE2 3.74Å; H396-F445 AromaticContact ND1-CZ 3.67Å; H396-F445 AromaticContact NE2-CZ 3.62Å; H396-F486 HydrophobicContact CB-CE2 4.05Å; H396-F486 HydrophobicContact CB-CZ 4.03Å; H396-F486 VanDerWaalsContact O-CE2 3.28Å; H396-F486 WeakPolarHBondContact O-CE2 3.38Å
397	R	92.1	Very high	94.4	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-82.2	-21.7	-179.6	-72.1	160.3	-174.4	67.6	18.1	113.1	R281 L393 F394 P438 D440 F486 N498 T499	R281-R397 HydrophobicContact CG-CB 4.39Å; L393-R397 PolarHBondContact O-N 3.45Å; L393-R397 PolarHBondContact O-NH1 3.33Å; F394-R397 PolarHBondContact O-N 3.44Å; R397-P438 VanDerWaalsContact CZ-CG 3.48Å; R397-D440 IonicContact CZ-OD1 2.71Å; R397-D440 IonicContact CZ-OD2 3.9Å; R397-D440 IonicContact NH1-OD1 3.29Å; R397-D440 IonicContact NH1-OD2 2.95Å; R397-D440 PolarHBondContact NH1-OD2 2.93Å; R397-D440 IonicContact NH2-OD1 3.9Å; R397-D440 PolarHBondContact NH2-OD1 2.75Å; R397-D440 IonicContact NH2-OD2 3.17Å; R397-F486 HydrophobicContact CG-CD1 4.27Å; R397-F486 HydrophobicContact CG-CE1 3.94Å; R397-F486 HydrophobicContact CG-CE2 4.47Å; R397-F486 HydrophobicContact CG-CZ 4.04Å; R397-N498 PolarHBondContact NE-O 2.69Å; R397-N498 PolarHBondContact NH2-OD1 2.94Å; R397-T499 HydrophobicContact CB-CG2 4.43Å
398	N	89.9	Confident	94.3	Very high	35 Å²	35	57.7 Å²	57.7	19%	0.187	29%	0.292	C	S	.	.			trans	-133.6	76.5	174.3	-166.8	-9	0	0	0	111.6	L376 F394 Y395 H400 A401	L376-N398 VanDerWaalsContact CD1-ND2 3.25Å; L376-N398 WeakPolarHBondContact CD1-ND2 3.42Å; F394-N398 HydrophobicContact CE2-CB 4.14Å; F394-N398 PolarHBondContact O-N 3.39Å; Y395-N398 CarbonylContact O-C 3.54Å; N398-H400 PolarHBondContact O-N 3.22Å; N398-H400 VanDerWaalsContact O-N 3.09Å; N398-A401 HydrophobicContact CB-CB 4.35Å; N398-A401 WeakPolarHBondContact O-CB 3.44Å; N398-A401 PolarHBondContact O-N 3.26Å
399	P	88.1	Confident	94.3	Very high	29 Å²	29	56.1 Å²	56.1	19%	0.188	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.9	-26.8	-176.8	-27	35.9	0	0	0	114.1	Y395 A401 R402	Y395-P399 VanDerWaalsContact O-CA 3.29Å; Y395-P399 WeakPolarHBondContact O-CA 3.47Å; Y395-P399 VanDerWaalsContact O-N 3.17Å; P399-A401 PolarHBondContact O-N 3.25Å; P399-R402 PolarHBondContact O-N 2.89Å
400	H	88.4	Confident	94.4	Very high	108 Å²	108	53.4 Å²	53.4	50%	0.5	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.7	-30.7	175	-64	-72.5	0	0	0	112.5	L376 N398 R402 R403 E404	L376-H400 HydrophobicContact CD2-CB 4.47Å; N398-H400 PolarHBondContact O-N 3.22Å; N398-H400 VanDerWaalsContact O-N 3.09Å; H400-R402 PolarHBondContact O-N 3.01Å; H400-R403 PolarHBondContact O-N 3.36Å; H400-R403 VanDerWaalsContact O-N 3.11Å; H400-E404 PolarHBondContact O-N 3.44Å
401	A	92.3	Very high	94.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.008	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62.3	-26.2	179.8	0	0	0	0	0	113.4	L376 V380 F394 Y395 N398 P399 R403 E404	L376-A401 HydrophobicContact CD1-CB 3.8Å; L376-A401 HydrophobicContact CG-CB 4.44Å; V380-A401 HydrophobicContact CG2-CB 3.87Å; V380-A401 WeakPolarHBondContact CG2-O 3.09Å; F394-A401 HydrophobicContact CD1-CB 4.48Å; F394-A401 HydrophobicContact CE1-CB 3.54Å; F394-A401 HydrophobicContact CE2-CB 4.33Å; F394-A401 HydrophobicContact CZ-CB 3.44Å; F394-A401 VanDerWaalsContact CZ-CB 3.44Å; Y395-A401 HydrophobicContact CD1-CB 3.79Å; Y395-A401 HydrophobicContact CE1-CB 3.88Å; N398-A401 HydrophobicContact CB-CB 4.35Å; N398-A401 WeakPolarHBondContact O-CB 3.44Å; N398-A401 PolarHBondContact O-N 3.26Å; P399-A401 PolarHBondContact O-N 3.25Å; A401-R403 PolarHBondContact O-N 2.85Å; A401-E404 PolarHBondContact O-N 2.84Å
402	R	91.8	Very high	94.4	Very high	110 Å²	110	55.6 Å²	55.6	42%	0.415	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-65.7	-26.4	176.6	-66.8	-170.2	-177.8	-80.4	4.1	113.1	E392 Y395 H396 P399 H400	E392-R402 IonicContact OE1-NH1 3.65Å; E392-R402 IonicContact OE2-CZ 4Å; E392-R402 IonicContact OE2-NH1 2.83Å; E392-R402 PolarHBondContact OE2-NH1 2.88Å; E392-R402 IonicContact OE2-NH2 3.99Å; E392-R402 PolarHBondContact OE2-NH2 2.8Å; Y395-R402 HydrophobicContact CD1-CB 4.39Å; Y395-R402 HydrophobicContact CD1-CG 3.56Å; Y395-R402 HydrophobicContact CE1-CG 4.32Å; Y395-R402 HydrophobicContact CG-CG 3.72Å; H396-R402 PolarHBondContact CD2-NH2 2.76Å; P399-R402 PolarHBondContact O-N 2.89Å; H400-R402 PolarHBondContact O-N 3.01Å
403	R	92.7	Very high	94.5	Very high	186 Å²	186	55.8 Å²	55.8	70%	0.702	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-100.2	-5.2	-178.1	-67.8	-178.9	-75.1	170.7	-6.2	112.9	H400 A401 A405	H400-R403 PolarHBondContact O-N 3.36Å; H400-R403 VanDerWaalsContact O-N 3.11Å; A401-R403 PolarHBondContact O-N 2.85Å; R403-A405 PolarHBondContact O-N 3.08Å
404	E	94.6	Very high	94.6	Very high	60 Å²	60	60 Å²	60	28%	0.28	31%	0.307	S	S	.	.			trans	-72.6	126.1	-177.3	-173.5	62.4	-155.4	0	0	110.3	L376 A377 V380 H400 A401 F406	L376-E404 HydrophobicContact CB-CG 4.36Å; L376-E404 HydrophobicContact CD2-CB 4.21Å; L376-E404 HydrophobicContact CD2-CG 4.2Å; L376-E404 HydrophobicContact CG-CB 4.25Å; L376-E404 HydrophobicContact CG-CG 4.01Å; A377-E404 HydrophobicContact CB-CG 3.79Å; V380-E404 HydrophobicContact CG2-CB 4.31Å; H400-E404 PolarHBondContact O-N 3.44Å; A401-E404 PolarHBondContact O-N 2.84Å; E404-F406 PolarHBondContact O-N 2.91Å
405	A	95.6	Very high	94.7	Very high	86 Å²	86	61 Å²	61	71%	0.711	31%	0.312	S	S	*	.			trans	-73.9	111.7	176.1	0	0	0	0	0	109.9	R403	R403-A405 PolarHBondContact O-N 3.08Å
406	F	95.8	Very high	94.9	Very high	61 Å²	61	62.3 Å²	62.3	27%	0.268	32%	0.317	S	S	.	.			trans	-108.7	-2.1	-175.3	67	-92	0	0	0	114.1	V380 R381 E384 E404 V409	V380-F406 HydrophobicContact CB-CB 3.99Å; V380-F406 HydrophobicContact CB-CD1 4.45Å; V380-F406 HydrophobicContact CB-CG 4.35Å; V380-F406 HydrophobicContact CG1-CB 3.68Å; V380-F406 HydrophobicContact CG1-CD1 3.3Å; V380-F406 HydrophobicContact CG1-CD2 4.28Å; V380-F406 HydrophobicContact CG1-CE1 3.93Å; V380-F406 HydrophobicContact CG1-CG 3.5Å; V380-F406 VanDerWaalsContact CG1-CG 3.5Å; R381-F406 WeakPolarHBondContact CD-O 3.17Å; R381-F406 HydrophobicContact CG-CB 3.85Å; R381-F406 HydrophobicContact CG-CD2 4.17Å; R381-F406 HydrophobicContact CG-CG 4.5Å; R381-F406 WeakPolarHBondContact CG-O 3.3Å; R381-F406 PolarHBondContact NH1-O 2.87Å; E384-F406 HydrophobicContact CB-CE2 4.35Å; E384-F406 HydrophobicContact CG-CE1 4.33Å; E384-F406 HydrophobicContact CG-CE2 4.01Å; E384-F406 HydrophobicContact CG-CZ 3.85Å; E404-F406 PolarHBondContact O-N 2.91Å; F406-V409 HydrophobicContact CD2-CG1 3.87Å; F406-V409 HydrophobicContact CE2-CG1 3.94Å; F406-V409 HydrophobicContact CE2-CG2 4.04Å
407	G	96.1	Very high	95.2	Very high	57 Å²	57	68.9 Å²	68.9	59%	0.588	35%	0.345	S	S	*	.			trans	74.7	-165.8	178.9	0	0	0	0	0	114.3
408	D	97	Very high	95.5	Very high	110 Å²	110	77.8 Å²	77.8	59%	0.588	38%	0.379	S	S	*	.			trans	-83.7	134.1	-179.7	-176.7	20.8	0	0	0	111.8	R381 T410	R381-D408 PolarHBondContact NH1-O 3.27Å; R381-D408 PolarHBondContact NH2-O 3.4Å; D408-T410 WeakPolarHBondContact OD1-CB 3.38Å; D408-T410 PolarHBondContact OD1-N 3.1Å; D408-T410 PolarHBondContact OD1-OG1 3.03Å
409	V	98.1	Very high	95.9	Very high	10 Å²	10	77.3 Å²	77.3	6%	0.061	38%	0.376	C	S	.	.			trans	-118.9	7.6	177.9	-64.3	0	0	0	0	112.7	R381 E384 V385 F406 E411 R412 M413	R381-V409 HydrophobicContact CB-CG1 4.14Å; R381-V409 HydrophobicContact CG-CG1 4.12Å; E384-V409 HydrophobicContact CB-CG2 4.49Å; V385-V409 HydrophobicContact CG2-CB 3.72Å; V385-V409 HydrophobicContact CG2-CG1 4.12Å; V385-V409 HydrophobicContact CG2-CG2 4.24Å; F406-V409 HydrophobicContact CD2-CG1 3.87Å; F406-V409 HydrophobicContact CE2-CG1 3.94Å; F406-V409 HydrophobicContact CE2-CG2 4.04Å; V409-E411 VanDerWaalsContact C-N 3.33Å; V409-E411 PolarHBondContact O-N 2.93Å; V409-R412 WeakPolarHBondContact O-CB 3.33Å; V409-R412 PolarHBondContact O-N 3.25Å; V409-M413 HydrophobicContact CG2-CE 3.78Å; V409-M413 HydrophobicContact CG2-SD 4.35Å; V409-M413 PolarHBondContact O-N 2.69Å
410	T	98.2	Very high	96.3	Very high	61 Å²	61	78.9 Å²	78.9	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-53.8	-45.7	-175.8	-63.7	0	0	0	0	112.6	D408 R412 M413 K414	D408-T410 WeakPolarHBondContact OD1-CB 3.38Å; D408-T410 PolarHBondContact OD1-N 3.1Å; D408-T410 PolarHBondContact OD1-OG1 3.03Å; T410-R412 VanDerWaalsContact C-N 3.32Å; T410-R412 PolarHBondContact O-N 3.06Å; T410-M413 PolarHBondContact O-N 3.31Å; T410-K414 HydrophobicContact CG2-CD 4.4Å; T410-K414 WeakPolarHBondContact O-CG 3.16Å; T410-K414 PolarHBondContact O-N 3.13Å
411	E	97.8	Very high	96.8	Very high	107 Å²	107	74.9 Å²	74.9	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-33.7	179.4	-69.2	-54.1	120.1	0	0	112.7	V409 K414 L415	V409-E411 VanDerWaalsContact C-N 3.33Å; V409-E411 PolarHBondContact O-N 2.93Å; E411-K414 PolarHBondContact O-N 2.83Å; E411-K414 WeakPolarHBondContact OE1-CD 3.41Å; E411-K414 IonicContact OE1-NZ 2.59Å; E411-K414 PolarHBondContact OE1-NZ 2.99Å; E411-L415 WeakPolarHBondContact O-CB 3.35Å; E411-L415 PolarHBondContact O-N 3.46Å
412	R	98.3	Very high	97.1	Very high	22 Å²	22	79.7 Å²	79.7	8%	0.083	40%	0.402	C	S	.	.	H	α-helix	trans	-70.1	-39.2	175.5	-57	-53.6	-62.1	176.1	-2.9	111.4	G325 D328 E340 V385 V409 T410 L415 R416	G325-R412 PolarHBondContact O-NH1 3Å; D328-R412 HydrophobicContact CB-CG 4.35Å; E340-R412 IonicContact OE1-CZ 2.7Å; E340-R412 IonicContact OE1-NE 3.99Å; E340-R412 IonicContact OE1-NH2 2.68Å; E340-R412 PolarHBondContact OE1-NH2 2.87Å; V385-R412 HydrophobicContact CB-CB 4.49Å; V385-R412 HydrophobicContact CG1-CB 3.93Å; V385-R412 HydrophobicContact CG2-CB 3.73Å; V409-R412 WeakPolarHBondContact O-CB 3.33Å; V409-R412 PolarHBondContact O-N 3.25Å; T410-R412 VanDerWaalsContact C-N 3.32Å; T410-R412 PolarHBondContact O-N 3.06Å; R412-L415 WeakPolarHBondContact O-CB 3.16Å; R412-L415 PolarHBondContact O-N 3.29Å; R412-R416 PolarHBondContact O-N 3.39Å
413	M	98.1	Very high	97.5	Very high	70 Å²	70	78 Å²	78	35%	0.345	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-40.9	172.5	-68.4	-177.1	171.8	0	0	112.1	E384 V385 V409 T410 L415 R416 K417	E384-M413 VanDerWaalsContact O-CE 3.29Å; E384-M413 WeakPolarHBondContact O-CE 3.29Å; V385-M413 HydrophobicContact CG2-CG 4.4Å; V409-M413 HydrophobicContact CG2-CE 3.78Å; V409-M413 HydrophobicContact CG2-SD 4.35Å; V409-M413 PolarHBondContact O-N 2.69Å; T410-M413 PolarHBondContact O-N 3.31Å; M413-L415 VanDerWaalsContact C-N 3.35Å; M413-R416 PolarHBondContact O-N 3.3Å; M413-K417 WeakPolarHBondContact O-CG 3.25Å; M413-K417 PolarHBondContact O-N 2.67Å; M413-K417 VanDerWaalsContact O-N 3.08Å
414	K	98.4	Very high	97.7	Very high	103 Å²	103	69.2 Å²	69.2	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-40.9	173.9	-73.6	176.2	-173	164.1	0	111.8	T410 E411 K417 R418	T410-K414 HydrophobicContact CG2-CD 4.4Å; T410-K414 WeakPolarHBondContact O-CG 3.16Å; T410-K414 PolarHBondContact O-N 3.13Å; E411-K414 PolarHBondContact O-N 2.83Å; E411-K414 WeakPolarHBondContact OE1-CD 3.41Å; E411-K414 IonicContact OE1-NZ 2.59Å; E411-K414 PolarHBondContact OE1-NZ 2.99Å; K414-K417 PolarHBondContact O-N 2.91Å; K414-R418 WeakPolarHBondContact O-CB 3.44Å; K414-R418 PolarHBondContact O-N 2.04Å
415	L	98.5	Very high	97.9	Very high	19 Å²	19	70.3 Å²	70.3	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-49.5	174.5	177.2	67.5	0	0	0	111.1	E411 R412 M413 K417 R418 L419	E411-L415 WeakPolarHBondContact O-CB 3.35Å; E411-L415 PolarHBondContact O-N 3.46Å; R412-L415 WeakPolarHBondContact O-CB 3.16Å; R412-L415 PolarHBondContact O-N 3.29Å; M413-L415 VanDerWaalsContact C-N 3.35Å; L415-K417 VanDerWaalsContact C-N 3.29Å; L415-K417 PolarHBondContact O-N 3.29Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R418 VanDerWaalsContact O-N 3.13Å; L415-L419 HydrophobicContact CD1-CD1 3.83Å; L415-L419 HydrophobicContact CD1-CG 4.04Å; L415-L419 HydrophobicContact CG-CD1 3.98Å; L415-L419 HydrophobicContact CG-CG 4.47Å; L415-L419 WeakPolarHBondContact O-CG 3.46Å; L415-L419 PolarHBondContact O-N 2.98Å
416	R	98.5	Very high	98.1	Very high	37 Å²	37	69.3 Å²	69.3	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-54.5	-44.7	177.2	-175.9	176.3	-178.5	-151.1	-2.7	112	Q347 V385 W386 D388 R412 M413 G420 C421	Q347-R416 VanDerWaalsContact OE1-NH2 3.1Å; V385-R416 WeakPolarHBondContact O-CD 3.3Å; V385-R416 PolarHBondContact O-NH1 3.01Å; W386-R416 HydrophobicContact CE3-CG 4.22Å; W386-R416 HydrophobicContact CH2-CB 4.04Å; W386-R416 HydrophobicContact CH2-CG 4.13Å; W386-R416 HydrophobicContact CZ3-CB 4.14Å; W386-R416 HydrophobicContact CZ3-CG 3.7Å; D388-R416 VanDerWaalsContact CG-NH2 3.27Å; D388-R416 IonicContact OD1-CZ 2.82Å; D388-R416 VanDerWaalsContact OD1-CZ 3.22Å; D388-R416 IonicContact OD1-NH1 3.47Å; D388-R416 PolarHBondContact OD1-NH1 3.49Å; D388-R416 IonicContact OD1-NH2 2.63Å; D388-R416 PolarHBondContact OD1-NH2 2.86Å; D388-R416 IonicContact OD2-CZ 2.69Å; D388-R416 IonicContact OD2-NH1 2.7Å; D388-R416 IonicContact OD2-NH2 2.85Å; D388-R416 PolarHBondContact OD2-NH2 3.49Å; R412-R416 PolarHBondContact O-N 3.39Å; M413-R416 PolarHBondContact O-N 3.3Å; R416-G420 PolarHBondContact O-N 3.34Å; R416-C421 HydrophobicContact CG-CB 3.94Å; R416-C421 PolarHBondContact O-N 2.91Å; R416-C421 PolarHBondContact O-SG 3.16Å; R416-C421 VanDerWaalsContact O-SG 3.35Å
417	K	98.3	Very high	98.2	Very high	174 Å²	174	66.4 Å²	66.4	76%	0.757	34%	0.337	S	S	*	.	H	α-helix	trans	-64.3	-46.3	175.5	-70.8	178.2	-179.2	-179.6	0	112.4	M413 K414 L415 L419 G420	M413-K417 WeakPolarHBondContact O-CG 3.25Å; M413-K417 PolarHBondContact O-N 2.67Å; M413-K417 VanDerWaalsContact O-N 3.08Å; K414-K417 PolarHBondContact O-N 2.91Å; L415-K417 VanDerWaalsContact C-N 3.29Å; L415-K417 PolarHBondContact O-N 3.29Å; K417-L419 VanDerWaalsContact C-N 3.3Å; K417-L419 PolarHBondContact O-N 3.48Å; K417-G420 PolarHBondContact O-N 3.32Å; K417-G420 VanDerWaalsContact O-N 3.09Å
418	R	98.4	Very high	98.3	Very high	188 Å²	188	63.8 Å²	63.8	71%	0.709	31%	0.31	S	S	*	.	H	α-helix	trans	-60.6	-38.8	-178.6	-171.3	-171.6	-49.1	-177.9	5.6	112.6	K414 L415 G420	K414-R418 WeakPolarHBondContact O-CB 3.44Å; K414-R418 PolarHBondContact O-N 2.04Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R418 VanDerWaalsContact O-N 3.13Å; R418-G420 VanDerWaalsContact C-N 3.25Å; R418-G420 PolarHBondContact O-N 3.19Å
419	L	98.4	Very high	98.2	Very high	25 Å²	25	61.3 Å²	61.3	13%	0.131	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.6	179.4	-67	178.8	0	0	0	113.2	Y323 L324 C348 L415 K417 C421	Y323-L419 HydrophobicContact CD1-CD2 4.38Å; Y323-L419 HydrophobicContact CD2-CD2 4.41Å; Y323-L419 HydrophobicContact CE1-CD2 3.79Å; Y323-L419 HydrophobicContact CE2-CD2 3.83Å; Y323-L419 VanDerWaalsContact CZ-CD2 3.48Å; L324-L419 HydrophobicContact CD2-CD1 4.36Å; C348-L419 HydrophobicContact CB-CB 4.39Å; C348-L419 HydrophobicContact CB-CD1 4.26Å; L415-L419 HydrophobicContact CD1-CD1 3.83Å; L415-L419 HydrophobicContact CD1-CG 4.04Å; L415-L419 HydrophobicContact CG-CD1 3.98Å; L415-L419 HydrophobicContact CG-CG 4.47Å; L415-L419 WeakPolarHBondContact O-CG 3.46Å; L415-L419 PolarHBondContact O-N 2.98Å; K417-L419 VanDerWaalsContact C-N 3.3Å; K417-L419 PolarHBondContact O-N 3.48Å; L419-C421 VanDerWaalsContact C-N 3.28Å; L419-C421 WeakPolarHBondContact CB-SG 3.38Å; L419-C421 PolarHBondContact O-N 2.74Å
420	G	98.3	Very high	98.2	Very high	62 Å²	62	65.6 Å²	65.6	64%	0.639	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	35.2	-178.6	0	0	0	0	0	112.9	R416 K417 R418	R416-G420 PolarHBondContact O-N 3.34Å; K417-G420 PolarHBondContact O-N 3.32Å; K417-G420 VanDerWaalsContact O-N 3.09Å; R418-G420 VanDerWaalsContact C-N 3.25Å; R418-G420 PolarHBondContact O-N 3.19Å
421	C	98.7	Very high	98.2	Very high	24 Å²	24	63.3 Å²	63.3	16%	0.162	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-66.8	146.1	-174	-46.9	0	0	0	0	111.4	Q347 C348 W386 R416 L419	Q347-C421 HydrophobicContact CB-CB 4.15Å; Q347-C421 CarbonylContact O-C 3.48Å; Q347-C421 VanDerWaalsContact O-CA 3.25Å; Q347-C421 WeakPolarHBondContact O-CA 3.46Å; Q347-C421 WeakPolarHBondContact O-CB 3.45Å; C348-C421 HydrophobicContact CB-CB 4.06Å; C348-C421 WeakPolarHBondContact CB-SG 3.33Å; C348-C421 WeakPolarHBondContact SG-CB 3.25Å; C348-C421 CovalentContact SG-SG 2.04Å; C348-C421 PolarHBondContact SG-SG 2.85Å; W386-C421 HydrophobicContact CZ3-CB 4.27Å; R416-C421 HydrophobicContact CG-CB 3.94Å; R416-C421 PolarHBondContact O-N 2.91Å; R416-C421 PolarHBondContact O-SG 3.16Å; R416-C421 VanDerWaalsContact O-SG 3.35Å; L419-C421 VanDerWaalsContact C-N 3.28Å; L419-C421 WeakPolarHBondContact CB-SG 3.38Å; L419-C421 PolarHBondContact O-N 2.74Å
422	K	98.8	Very high	98.1	Very high	101 Å²	101	58.8 Å²	58.8	44%	0.439	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-68.7	165.4	174.8	-58.3	179.8	-177.8	-77.1	0	110.6	Q347 W426	Q347-K422 PolarHBondContact O-N 3.48Å; Q347-K422 PolarHBondContact OE1-O 3.12Å; K422-W426 HydrophobicContact CB-CB 4.08Å; K422-W426 HydrophobicContact CB-CD2 3.83Å; K422-W426 HydrophobicContact CB-CE3 3.75Å; K422-W426 HydrophobicContact CB-CG 3.94Å; K422-W426 HydrophobicContact CD-CD2 3.17Å; K422-W426 HydrophobicContact CD-CE3 3.56Å; K422-W426 HydrophobicContact CD-CG 3.62Å; K422-W426 HydrophobicContact CD-CH2 3.91Å; K422-W426 HydrophobicContact CD-CZ2 3.55Å; K422-W426 HydrophobicContact CD-CZ3 3.91Å; K422-W426 HydrophobicContact CG-CD2 4.14Å; K422-W426 HydrophobicContact CG-CE3 4.3Å; K422-W426 HydrophobicContact CG-CG 4.36Å
423	N	98.6	Very high	97.9	Very high	76 Å²	76	59.7 Å²	59.7	41%	0.406	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-83	168.5	178.5	66.3	8.8	0	0	0	112.2	D388 K425 W426 Y427	D388-N423 WeakPolarHBondContact OD2-CA 3.35Å; D388-N423 VanDerWaalsContact OD2-CB 3.29Å; D388-N423 WeakPolarHBondContact OD2-CB 3.3Å; N423-K425 VanDerWaalsContact C-N 3.31Å; N423-K425 PolarHBondContact O-N 2.78Å; N423-W426 WeakPolarHBondContact O-CB 3.31Å; N423-W426 PolarHBondContact O-N 2.89Å; N423-W426 WeakPolarHBondContact OD1-CB 3.13Å; N423-W426 PolarHBondContact OD1-N 3Å; N423-Y427 PolarHBondContact O-N 3.25Å
424	F	98.6	Very high	97.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-31.6	-178.9	-160.3	-110.6	0	0	0	112.6	F278 W280 F343 W386 M387 D388 Y390 W426 Y427 L428	F278-F424 HydrophobicContact CE2-CZ 4.42Å; F278-F424 HydrophobicContact CZ-CE1 4.48Å; F278-F424 AromaticContact CZ-CZ 3.8Å; F278-F424 HydrophobicContact CZ-CZ 3.8Å; W280-F424 HydrophobicContact CH2-CE1 4.31Å; W280-F424 HydrophobicContact CZ3-CE1 4.3Å; F343-F424 AromaticContact CD1-CE2 3.94Å; F343-F424 HydrophobicContact CD1-CE2 3.94Å; F343-F424 HydrophobicContact CD2-CE2 4.09Å; F343-F424 AromaticContact CE1-CE2 3.92Å; F343-F424 HydrophobicContact CE1-CE2 3.92Å; F343-F424 HydrophobicContact CE1-CZ 4.23Å; F343-F424 HydrophobicContact CE2-CE2 4.05Å; F343-F424 HydrophobicContact CE2-CZ 4.41Å; F343-F424 HydrophobicContact CG-CE2 4.03Å; F343-F424 AromaticContact CZ-CE2 3.98Å; F343-F424 HydrophobicContact CZ-CE2 3.98Å; F343-F424 HydrophobicContact CZ-CZ 4.09Å; W386-F424 WeakPolarHBondContact O-CB 3.32Å; W386-F424 WeakPolarHBondContact O-CD2 3.44Å; M387-F424 HydrophobicContact CB-CD1 4.37Å; M387-F424 HydrophobicContact CB-CD2 4.49Å; M387-F424 HydrophobicContact CB-CG 4.33Å; M387-F424 HydrophobicContact CE-CE1 4.08Å; M387-F424 HydrophobicContact CE-CZ 4.18Å; M387-F424 HydrophobicContact CG-CD1 4.48Å; M387-F424 HydrophobicContact CG-CD2 4.18Å; M387-F424 HydrophobicContact CG-CE1 4.23Å; M387-F424 HydrophobicContact CG-CE2 3.92Å; M387-F424 HydrophobicContact CG-CG 4.44Å; M387-F424 HydrophobicContact CG-CZ 3.94Å; D388-F424 HydrophobicContact CB-CB 4.49Å; D388-F424 PolarHBondContact OD2-N 3.24Å; Y390-F424 HydrophobicContact CD2-CB 4.15Å; Y390-F424 AromaticContact CD2-CD1 3.74Å; Y390-F424 HydrophobicContact CD2-CD1 3.74Å; Y390-F424 HydrophobicContact CD2-CG 4.44Å; Y390-F424 AromaticContact CG-CD1 3.75Å; Y390-F424 HydrophobicContact CG-CD1 3.75Å; Y390-F424 HydrophobicContact CG-CE1 4.37Å; F424-W426 VanDerWaalsContact C-N 3.29Å; F424-W426 PolarHBondContact O-N 3.45Å; F424-Y427 HydrophobicContact CD2-CD1 4.11Å; F424-Y427 HydrophobicContact CD2-CG 4.43Å; F424-Y427 AromaticContact CE2-CD1 3.7Å; F424-Y427 HydrophobicContact CE2-CD1 3.7Å; F424-Y427 HydrophobicContact CE2-CE1 4.1Å; F424-Y427 HydrophobicContact CE2-CG 4.36Å; F424-Y427 HydrophobicContact CZ-CD1 4.04Å; F424-Y427 HydrophobicContact CZ-CE1 4.27Å; F424-Y427 WeakPolarHBondContact O-CA 3.39Å; F424-Y427 WeakPolarHBondContact O-CB 3.37Å; F424-Y427 PolarHBondContact O-N 3.44Å; F424-L428 HydrophobicContact CD1-CD1 3.88Å; F424-L428 HydrophobicContact CD1-CD2 4.47Å; F424-L428 HydrophobicContact CD1-CG 4.01Å; F424-L428 HydrophobicContact CE1-CD1 3.96Å; F424-L428 HydrophobicContact CE1-CD2 3.89Å; F424-L428 HydrophobicContact CE1-CG 3.93Å; F424-L428 HydrophobicContact CZ-CD2 4.34Å; F424-L428 WeakPolarHBondContact O-CG 3.47Å; F424-L428 PolarHBondContact O-N 2.8Å
425	K	98.2	Very high	97.1	Very high	83 Å²	83	54.3 Å²	54.3	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-54.8	-46.3	170.6	-173.9	-177.2	-171	-29.9	0	111.5	Y390 N423 Y427 L428 D429	Y390-K425 HydrophobicContact CE2-CB 3.89Å; Y390-K425 WeakPolarHBondContact OH-CG 3.37Å; N423-K425 VanDerWaalsContact C-N 3.31Å; N423-K425 PolarHBondContact O-N 2.78Å; K425-Y427 VanDerWaalsContact C-N 3.3Å; K425-Y427 PolarHBondContact O-N 3.33Å; K425-L428 PolarHBondContact O-N 2.69Å; K425-D429 IonicContact NZ-OD1 3.58Å; K425-D429 IonicContact NZ-OD2 2.68Å; K425-D429 PolarHBondContact NZ-OD2 2.85Å; K425-D429 PolarHBondContact O-N 2.74Å
426	W	98.6	Very high	96.7	Very high	65 Å²	65	55.2 Å²	55.2	25%	0.246	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-41.6	176	175	89.4	0	0	0	111.4	W346 K422 N423 F424 D429 N430 V431	W346-W426 WeakPolarHBondContact O-CZ3 3.33Å; K422-W426 HydrophobicContact CB-CB 4.08Å; K422-W426 HydrophobicContact CB-CD2 3.83Å; K422-W426 HydrophobicContact CB-CE3 3.75Å; K422-W426 HydrophobicContact CB-CG 3.94Å; K422-W426 HydrophobicContact CD-CD2 3.17Å; K422-W426 HydrophobicContact CD-CE3 3.56Å; K422-W426 HydrophobicContact CD-CG 3.62Å; K422-W426 HydrophobicContact CD-CH2 3.91Å; K422-W426 HydrophobicContact CD-CZ2 3.55Å; K422-W426 HydrophobicContact CD-CZ3 3.91Å; K422-W426 HydrophobicContact CG-CD2 4.14Å; K422-W426 HydrophobicContact CG-CE3 4.3Å; K422-W426 HydrophobicContact CG-CG 4.36Å; N423-W426 WeakPolarHBondContact O-CB 3.31Å; N423-W426 PolarHBondContact O-N 2.89Å; N423-W426 WeakPolarHBondContact OD1-CB 3.13Å; N423-W426 PolarHBondContact OD1-N 3Å; F424-W426 VanDerWaalsContact C-N 3.29Å; F424-W426 PolarHBondContact O-N 3.45Å; W426-D429 PolarHBondContact O-N 3.05Å; W426-N430 HydrophobicContact CD2-CB 4.26Å; W426-N430 HydrophobicContact CZ2-CB 3.98Å; W426-N430 VanDerWaalsContact NE1-CG 3.32Å; W426-N430 PolarHBondContact NE1-ND2 3.23Å; W426-N430 VanDerWaalsContact O-CB 3.27Å; W426-N430 WeakPolarHBondContact O-CB 3.45Å; W426-N430 PolarHBondContact O-N 2.82Å; W426-N430 PolarHBondContact O-ND2 3.11Å; W426-V431 HydrophobicContact CH2-CG2 4.08Å; W426-V431 HydrophobicContact CZ3-CG2 3.95Å
427	Y	98.8	Very high	96.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-48.3	176.3	171.4	-90	0	0	0	111.4	F278 P307 F343 W346 N423 F424 K425 D429 N430 V431 Y432	F278-Y427 AromaticContact CE1-CE1 3.94Å; F278-Y427 HydrophobicContact CE1-CE1 3.94Å; F278-Y427 HydrophobicContact CZ-CE1 4.46Å; P307-Y427 VanDerWaalsContact C-OH 3.32Å; P307-Y427 PolarHBondContact O-OH 3.17Å; F343-Y427 HydrophobicContact CD1-CE1 4.04Å; F343-Y427 HydrophobicContact CD1-CE2 4.1Å; F343-Y427 AromaticContact CD1-CZ 3.74Å; F343-Y427 AromaticContact CE1-CE1 3.95Å; F343-Y427 HydrophobicContact CE1-CE1 3.95Å; F343-Y427 AromaticContact CE1-CZ 3.88Å; W346-Y427 HydrophobicContact CB-CD2 3.72Å; W346-Y427 HydrophobicContact CB-CE2 3.93Å; W346-Y427 AromaticContact CD1-CE2 3.68Å; W346-Y427 HydrophobicContact CG-CD2 4.2Å; W346-Y427 AromaticContact CG-CE2 3.97Å; W346-Y427 HydrophobicContact CG-CE2 3.97Å; N423-Y427 PolarHBondContact O-N 3.25Å; F424-Y427 HydrophobicContact CD2-CD1 4.11Å; F424-Y427 HydrophobicContact CD2-CG 4.43Å; F424-Y427 AromaticContact CE2-CD1 3.7Å; F424-Y427 HydrophobicContact CE2-CD1 3.7Å; F424-Y427 HydrophobicContact CE2-CE1 4.1Å; F424-Y427 HydrophobicContact CE2-CG 4.36Å; F424-Y427 HydrophobicContact CZ-CD1 4.04Å; F424-Y427 HydrophobicContact CZ-CE1 4.27Å; F424-Y427 WeakPolarHBondContact O-CA 3.39Å; F424-Y427 WeakPolarHBondContact O-CB 3.37Å; F424-Y427 PolarHBondContact O-N 3.44Å; K425-Y427 VanDerWaalsContact C-N 3.3Å; K425-Y427 PolarHBondContact O-N 3.33Å; Y427-D429 PolarHBondContact O-N 3.26Å; Y427-N430 PolarHBondContact O-N 2.87Å; Y427-V431 HydrophobicContact CD2-CB 3.84Å; Y427-V431 HydrophobicContact CD2-CG1 4.07Å; Y427-V431 HydrophobicContact CD2-CG2 3.98Å; Y427-V431 HydrophobicContact CE2-CB 3.95Å; Y427-V431 HydrophobicContact CE2-CG1 3.68Å; Y427-V431 HydrophobicContact CE2-CG2 4.43Å; Y427-V431 HydrophobicContact CG-CB 4.38Å; Y427-V431 WeakPolarHBondContact O-CA 3.07Å; Y427-V431 VanDerWaalsContact O-CB 3.25Å; Y427-V431 WeakPolarHBondContact O-CB 3.27Å; Y427-V431 PolarHBondContact O-N 3.32Å; Y427-Y432 PolarHBondContact O-N 3.41Å; Y427-Y432 VanDerWaalsContact O-N 3.1Å
428	L	97.4	Very high	96.2	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-43.6	177.2	-64.1	173.4	0	0	0	111.9	W280 Y390 F424 K425 Y432 P433 I435 V437	W280-L428 HydrophobicContact CH2-CD1 4.09Å; W280-L428 HydrophobicContact CH2-CD2 4.25Å; Y390-L428 HydrophobicContact CD1-CD1 3.63Å; Y390-L428 HydrophobicContact CD2-CD1 4.38Å; Y390-L428 HydrophobicContact CE1-CD1 3.5Å; Y390-L428 VanDerWaalsContact CE1-CD1 3.5Å; Y390-L428 HydrophobicContact CE2-CD1 4.28Å; Y390-L428 HydrophobicContact CG-CD1 4.07Å; F424-L428 HydrophobicContact CD1-CD1 3.88Å; F424-L428 HydrophobicContact CD1-CD2 4.47Å; F424-L428 HydrophobicContact CD1-CG 4.01Å; F424-L428 HydrophobicContact CE1-CD1 3.96Å; F424-L428 HydrophobicContact CE1-CD2 3.89Å; F424-L428 HydrophobicContact CE1-CG 3.93Å; F424-L428 HydrophobicContact CZ-CD2 4.34Å; F424-L428 WeakPolarHBondContact O-CG 3.47Å; F424-L428 PolarHBondContact O-N 2.8Å; K425-L428 PolarHBondContact O-N 2.69Å; L428-Y432 CarbonylContact O-C 3.59Å; L428-P433 WeakPolarHBondContact O-CA 3.39Å; L428-I435 HydrophobicContact CD2-CG2 3.75Å; L428-V437 HydrophobicContact CD1-CG2 4.2Å
429	D	96.2	Very high	95.9	Very high	57 Å²	57	42.6 Å²	42.6	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-74.7	-26.8	-176.9	-70.1	-27.7	0	0	0	113.8	K425 W426 Y427 R523	K425-D429 IonicContact NZ-OD1 3.58Å; K425-D429 IonicContact NZ-OD2 2.68Å; K425-D429 PolarHBondContact NZ-OD2 2.85Å; K425-D429 PolarHBondContact O-N 2.74Å; W426-D429 PolarHBondContact O-N 3.05Å; Y427-D429 PolarHBondContact O-N 3.26Å; D429-R523 IonicContact OD1-CZ 2.76Å; D429-R523 IonicContact OD1-NH1 3.84Å; D429-R523 PolarHBondContact OD1-NH1 3.24Å; D429-R523 IonicContact OD1-NH2 2.85Å; D429-R523 PolarHBondContact OD1-NH2 2.71Å
430	N	97.2	Very high	95.6	Very high	100 Å²	100	41.9 Å²	41.9	54%	0.535	23%	0.225	S	C	.	.	H	α-helix	trans	-115.3	-23.8	-169.7	-64.4	-102.3	0	0	0	114.3	W426 Y427	W426-N430 HydrophobicContact CD2-CB 4.26Å; W426-N430 HydrophobicContact CZ2-CB 3.98Å; W426-N430 VanDerWaalsContact NE1-CG 3.32Å; W426-N430 PolarHBondContact NE1-ND2 3.23Å; W426-N430 VanDerWaalsContact O-CB 3.27Å; W426-N430 WeakPolarHBondContact O-CB 3.45Å; W426-N430 PolarHBondContact O-N 2.82Å; W426-N430 PolarHBondContact O-ND2 3.11Å; Y427-N430 PolarHBondContact O-N 2.87Å
431	V	97.9	Very high	95.4	Very high	13 Å²	13	43 Å²	43	8%	0.079	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-42.6	-176	-177.7	0	0	0	0	110.8	P307 W346 W426 Y427 P433	P307-V431 HydrophobicContact CB-CG1 4.44Å; W346-V431 HydrophobicContact CB-CG2 4.08Å; W346-V431 HydrophobicContact CD2-CB 4.35Å; W346-V431 HydrophobicContact CD2-CG1 3.59Å; W346-V431 HydrophobicContact CD2-CG2 3.76Å; W346-V431 VanDerWaalsContact CE2-CG1 3.49Å; W346-V431 HydrophobicContact CE3-CG1 4.23Å; W346-V431 HydrophobicContact CE3-CG2 3.74Å; W346-V431 HydrophobicContact CG-CB 4.46Å; W346-V431 HydrophobicContact CG-CG1 3.75Å; W346-V431 HydrophobicContact CG-CG2 3.95Å; W346-V431 HydrophobicContact CZ2-CG1 4.05Å; W346-V431 HydrophobicContact CZ3-CG2 4.43Å; W426-V431 HydrophobicContact CH2-CG2 4.08Å; W426-V431 HydrophobicContact CZ3-CG2 3.95Å; Y427-V431 HydrophobicContact CD2-CB 3.84Å; Y427-V431 HydrophobicContact CD2-CG1 4.07Å; Y427-V431 HydrophobicContact CD2-CG2 3.98Å; Y427-V431 HydrophobicContact CE2-CB 3.95Å; Y427-V431 HydrophobicContact CE2-CG1 3.68Å; Y427-V431 HydrophobicContact CE2-CG2 4.43Å; Y427-V431 HydrophobicContact CG-CB 4.38Å; Y427-V431 WeakPolarHBondContact O-CA 3.07Å; Y427-V431 VanDerWaalsContact O-CB 3.25Å; Y427-V431 WeakPolarHBondContact O-CB 3.27Å; Y427-V431 PolarHBondContact O-N 3.32Å; V431-P433 VanDerWaalsContact C-CD 3.42Å
432	Y	96.2	Very high	95.1	Very high	13 Å²	13	47.6 Å²	47.6	5%	0.051	24%	0.239	C	C	.	.			trans	-128.5	58.6	-178.6	-157.4	-169.9	0	0	0	114.1	F278 H287 P307 Y427 L428 D434 I435	F278-Y432 HydrophobicContact CD1-CD1 4.18Å; F278-Y432 HydrophobicContact CD1-CE1 4.12Å; F278-Y432 AromaticContact CE1-CD1 3.78Å; F278-Y432 HydrophobicContact CE1-CD1 3.78Å; F278-Y432 HydrophobicContact CE1-CE1 4.12Å; H287-Y432 PolarHBondContact CD2-OH 3.29Å; H287-Y432 VanDerWaalsContact CD2-OH 3.24Å; H287-Y432 PolarHBondContact CE1-OH 3.38Å; H287-Y432 PolarHBondContact NE2-OH 3.28Å; P307-Y432 HydrophobicContact CB-CD1 3.88Å; P307-Y432 HydrophobicContact CB-CD2 4.2Å; P307-Y432 HydrophobicContact CB-CE1 4.42Å; P307-Y432 HydrophobicContact CB-CG 3.76Å; P307-Y432 HydrophobicContact CG-CD1 4.25Å; P307-Y432 HydrophobicContact CG-CD2 3.65Å; P307-Y432 HydrophobicContact CG-CE2 4.11Å; P307-Y432 HydrophobicContact CG-CG 3.73Å; Y427-Y432 PolarHBondContact O-N 3.41Å; Y427-Y432 VanDerWaalsContact O-N 3.1Å; L428-Y432 CarbonylContact O-C 3.59Å; Y432-D434 PolarHBondContact O-N 3.34Å; Y432-I435 HydrophobicContact CD1-CB 3.81Å; Y432-I435 HydrophobicContact CD1-CD1 4Å; Y432-I435 HydrophobicContact CD1-CG1 4.34Å; Y432-I435 HydrophobicContact CD1-CG2 4.15Å; Y432-I435 HydrophobicContact CD2-CB 4.22Å; Y432-I435 HydrophobicContact CE1-CB 3.78Å; Y432-I435 HydrophobicContact CE1-CD1 3.75Å; Y432-I435 HydrophobicContact CE1-CG1 3.98Å; Y432-I435 HydrophobicContact CE2-CB 4.19Å; Y432-I435 HydrophobicContact CG-CB 4.04Å; Y432-I435 HydrophobicContact CG-CG2 4.24Å; Y432-I435 WeakPolarHBondContact O-CG2 3.12Å; Y432-I435 PolarHBondContact O-N 3.27Å
433	P	93.3	Very high	94.8	Very high	40 Å²	40	44.6 Å²	44.6	26%	0.26	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.1	-175.6	28.1	-37	0	0	0	114.5	Y292 L428 V431	Y292-P433 HydrophobicContact CE1-CG 3.91Å; L428-P433 WeakPolarHBondContact O-CA 3.39Å; V431-P433 VanDerWaalsContact C-CD 3.42Å
434	D	89.4	Confident	94.7	Very high	57 Å²	57	43.8 Å²	43.8	31%	0.305	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.1	-177.9	-88.8	31.9	0	0	0	113.2	P290 Y292 Y432 F436 K522	P290-D434 WeakPolarHBondContact CB-OD2 3.29Å; Y292-D434 WeakPolarHBondContact CE1-OD1 2.95Å; Y432-D434 PolarHBondContact O-N 3.34Å; D434-F436 PolarHBondContact O-N 2.89Å; D434-K522 IonicContact OD2-NZ 2.77Å; D434-K522 PolarHBondContact OD2-NZ 2.93Å
435	I	91.4	Very high	94.6	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	23%	0.233	C	C	.	.	S	Bend	trans	-67	133.8	177	-163	178.5	0	0	0	109.9	F278 W280 L428 Y432 V437	F278-I435 HydrophobicContact CE1-CD1 4.19Å; F278-I435 HydrophobicContact CE2-CD1 4.03Å; F278-I435 HydrophobicContact CZ-CD1 3.81Å; W280-I435 HydrophobicContact CZ2-CD1 4.08Å; L428-I435 HydrophobicContact CD2-CG2 3.75Å; Y432-I435 HydrophobicContact CD1-CB 3.81Å; Y432-I435 HydrophobicContact CD1-CD1 4Å; Y432-I435 HydrophobicContact CD1-CG1 4.34Å; Y432-I435 HydrophobicContact CD1-CG2 4.15Å; Y432-I435 HydrophobicContact CD2-CB 4.22Å; Y432-I435 HydrophobicContact CE1-CB 3.78Å; Y432-I435 HydrophobicContact CE1-CD1 3.75Å; Y432-I435 HydrophobicContact CE1-CG1 3.98Å; Y432-I435 HydrophobicContact CE2-CB 4.19Å; Y432-I435 HydrophobicContact CG-CB 4.04Å; Y432-I435 HydrophobicContact CG-CG2 4.24Å; Y432-I435 WeakPolarHBondContact O-CG2 3.12Å; Y432-I435 PolarHBondContact O-N 3.27Å; I435-V437 HydrophobicContact CG2-CG2 4.08Å; I435-V437 PolarHBondContact O-N 3.09Å
436	F	90.6	Very high	94.5	Very high	38 Å²	38	40.6 Å²	40.6	17%	0.167	22%	0.22	C	C	.	.			trans	-66.2	124.5	169.5	179.3	-88.4	0	0	0	108.6	W280 D434 P438 N498 A503	W280-F436 PolarHBondContact NE1-O 2.99Å; D434-F436 PolarHBondContact O-N 2.89Å; F436-P438 HydrophobicContact CD1-CG 4.06Å; F436-P438 HydrophobicContact CE1-CB 4.3Å; F436-P438 HydrophobicContact CE1-CG 3.98Å; F436-P438 WeakPolarHBondContact O-CD 3.36Å; F436-N498 HydrophobicContact CD1-CB 4.32Å; F436-N498 HydrophobicContact CE1-CB 4.23Å; F436-N498 VanDerWaalsContact CE1-ND2 3.3Å; F436-N498 WeakPolarHBondContact CE1-ND2 3.15Å; F436-A503 HydrophobicContact CB-CB 3.79Å; F436-A503 HydrophobicContact CD1-CB 3.84Å; F436-A503 HydrophobicContact CD2-CB 4.16Å; F436-A503 HydrophobicContact CG-CB 3.64Å
437	V	92.7	Very high	94.3	Very high	34 Å²	34	38.1 Å²	38.1	21%	0.206	21%	0.211	C	C	.	.			trans	-105.7	107.1	177.6	-174.2	0	0	0	0	109	W280 Y390 L393 L428 I435	W280-V437 HydrophobicContact CH2-CG1 4.37Å; W280-V437 HydrophobicContact CZ2-CB 4.28Å; W280-V437 HydrophobicContact CZ2-CG1 4.08Å; W280-V437 HydrophobicContact CZ2-CG2 4.12Å; Y390-V437 HydrophobicContact CD1-CG1 4.21Å; Y390-V437 HydrophobicContact CE1-CG1 3.88Å; L393-V437 HydrophobicContact CD1-CG1 4.22Å; L428-V437 HydrophobicContact CD1-CG2 4.2Å; I435-V437 HydrophobicContact CG2-CG2 4.08Å; I435-V437 PolarHBondContact O-N 3.09Å
438	P	92.8	Very high	94.3	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.039	21%	0.211	C	C	.	.			trans	-57.9	149.1	174.1	-24.5	32.4	0	0	0	112.8	W280 L393 R397 F436 D440 E488	W280-P438 HydrophobicContact CG-CG 4.36Å; L393-P438 HydrophobicContact CD1-CB 4.44Å; L393-P438 HydrophobicContact CD2-CB 4.17Å; R397-P438 VanDerWaalsContact CZ-CG 3.48Å; F436-P438 HydrophobicContact CD1-CG 4.06Å; F436-P438 HydrophobicContact CE1-CB 4.3Å; F436-P438 HydrophobicContact CE1-CG 3.98Å; F436-P438 WeakPolarHBondContact O-CD 3.36Å; P438-D440 WeakPolarHBondContact CB-OD1 3.38Å; P438-E488 WeakPolarHBondContact CB-OE2 3.4Å
439	H	91.1	Very high	94.3	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.44	22%	0.217	S	C	.	.			trans	-91.6	-33	173.4	-61.1	82.1	0	0	0	111.7	R441 E488	H439-R441 VanDerWaalsContact C-N 3.28Å; H439-R441 HydrophobicContact CB-CG 4.27Å; H439-R441 PolarHBondContact O-N 2.68Å; H439-E488 WeakPolarHBondContact CA-OE1 3.4Å; H439-E488 WeakPolarHBondContact CB-OE1 3.47Å; H439-E488 PolarHBondContact N-OE1 3.08Å; H439-E488 IonicContact ND1-OE1 3.18Å
440	D	92.1	Very high	94.3	Very high	9 Å²	9	37 Å²	37	5%	0.048	20%	0.204	C	C	.	.			trans	43	53.2	-178.5	-68.8	-2.9	0	0	0	111.8	L393 H396 R397 P438 F445 E488	L393-D440 HydrophobicContact CD2-CB 3.87Å; L393-D440 VanDerWaalsContact CD2-OD2 3.22Å; L393-D440 WeakPolarHBondContact CD2-OD2 3.37Å; H396-D440 IonicContact CE1-OD2 2.82Å; H396-D440 IonicContact CG-OD2 3.94Å; H396-D440 WeakPolarHBondContact ND1-CB 3.48Å; H396-D440 IonicContact ND1-OD2 2.72Å; H396-D440 PolarHBondContact ND1-OD2 2.9Å; R397-D440 IonicContact CZ-OD1 2.71Å; R397-D440 IonicContact CZ-OD2 3.9Å; R397-D440 IonicContact NH1-OD1 3.29Å; R397-D440 IonicContact NH1-OD2 2.95Å; R397-D440 PolarHBondContact NH1-OD2 2.93Å; R397-D440 IonicContact NH2-OD1 3.9Å; R397-D440 PolarHBondContact NH2-OD1 2.75Å; R397-D440 IonicContact NH2-OD2 3.17Å; P438-D440 WeakPolarHBondContact CB-OD1 3.38Å; D440-F445 VanDerWaalsContact C-CD1 3.42Å; D440-F445 HydrophobicContact CB-CD1 3.75Å; D440-F445 HydrophobicContact CB-CE1 3.98Å; D440-F445 HydrophobicContact CB-CG 4.11Å; D440-F445 WeakPolarHBondContact O-CD1 3.38Å; D440-F445 VanDerWaalsContact O-CE1 3.25Å; D440-F445 WeakPolarHBondContact O-CE1 3.21Å; D440-E488 PolarHBondContact N-OE1 2.78Å
441	R	94.1	Very high	94.3	Very high	86 Å²	86	38.4 Å²	38.4	33%	0.325	20%	0.202	S	C	.	.			trans	-62.7	137.7	179.3	-66.8	-177.9	-65.8	178.6	-1	110.1	H439 G443 M444 F445 Y489 S490	H439-R441 VanDerWaalsContact C-N 3.28Å; H439-R441 HydrophobicContact CB-CG 4.27Å; H439-R441 PolarHBondContact O-N 2.68Å; R441-G443 PolarHBondContact O-N 2.72Å; R441-M444 HydrophobicContact CB-CB 4.07Å; R441-M444 HydrophobicContact CB-CG 4.23Å; R441-M444 WeakPolarHBondContact O-CA 3.34Å; R441-M444 WeakPolarHBondContact O-CB 3.2Å; R441-M444 PolarHBondContact O-N 3.28Å; R441-F445 VanDerWaalsContact O-CD1 3.3Å; R441-F445 WeakPolarHBondContact O-CD1 3.44Å; R441-Y489 PolarHBondContact NH2-O 2.76Å; R441-S490 PolarHBondContact NH2-O 3.01Å
442	P	93	Very high	94.1	Very high	120 Å²	120	39 Å²	39	78%	0.779	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	128.5	179.9	-29.4	35.1	0	0	0	112.9	M444	P442-M444 VanDerWaalsContact C-N 3.25Å; P442-M444 PolarHBondContact O-N 2.74Å
443	G	93.1	Very high	94	Very high	38 Å²	38	39.8 Å²	39.8	39%	0.392	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	12.4	-178	0	0	0	0	0	115.4	R441 E580	R441-G443 PolarHBondContact O-N 2.72Å; G443-E580 PolarHBondContact N-OE1 2.84Å
444	M	96.1	Very high	93.9	Very high	60 Å²	60	43.7 Å²	43.7	30%	0.296	24%	0.238	S	C	.	.	S	Bend	trans	-124.8	18.6	178.3	-60.6	-68.2	162.9	0	0	112.7	R441 P442 E488 Y489 F535	R441-M444 HydrophobicContact CB-CB 4.07Å; R441-M444 HydrophobicContact CB-CG 4.23Å; R441-M444 WeakPolarHBondContact O-CA 3.34Å; R441-M444 WeakPolarHBondContact O-CB 3.2Å; R441-M444 PolarHBondContact O-N 3.28Å; P442-M444 VanDerWaalsContact C-N 3.25Å; P442-M444 PolarHBondContact O-N 2.74Å; M444-E488 CarbonylContact O-C 3.48Å; M444-Y489 PolarHBondContact O-N 2.92Å; M444-Y489 HydrophobicContact SD-CD1 3.86Å; M444-F535 HydrophobicContact CE-CD1 4.5Å; M444-F535 HydrophobicContact SD-CD1 3.8Å; M444-F535 HydrophobicContact SD-CE1 4.06Å
445	F	96.1	Very high	94	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.035	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	167.5	173.3	69.1	-88.7	0	0	0	111.5	H396 D440 R441 F486 F487 E488 E580	H396-F445 HydrophobicContact CB-CD2 4.29Å; H396-F445 HydrophobicContact CB-CE2 3.88Å; H396-F445 AromaticContact CD2-CE2 3.72Å; H396-F445 AromaticContact CD2-CZ 3.77Å; H396-F445 AromaticContact CE1-CZ 3.52Å; H396-F445 AromaticContact CG-CE2 3.52Å; H396-F445 AromaticContact CG-CZ 3.82Å; H396-F445 AromaticContact ND1-CE2 3.74Å; H396-F445 AromaticContact ND1-CZ 3.67Å; H396-F445 AromaticContact NE2-CZ 3.62Å; D440-F445 VanDerWaalsContact C-CD1 3.42Å; D440-F445 HydrophobicContact CB-CD1 3.75Å; D440-F445 HydrophobicContact CB-CE1 3.98Å; D440-F445 HydrophobicContact CB-CG 4.11Å; D440-F445 WeakPolarHBondContact O-CD1 3.38Å; D440-F445 VanDerWaalsContact O-CE1 3.25Å; D440-F445 WeakPolarHBondContact O-CE1 3.21Å; R441-F445 VanDerWaalsContact O-CD1 3.3Å; R441-F445 WeakPolarHBondContact O-CD1 3.44Å; F445-F486 HydrophobicContact CB-CZ 4.32Å; F445-F486 AromaticContact CD2-CE2 3.88Å; F445-F486 HydrophobicContact CD2-CE2 3.88Å; F445-F486 AromaticContact CD2-CZ 3.84Å; F445-F486 HydrophobicContact CD2-CZ 3.84Å; F445-F486 HydrophobicContact CG-CZ 4.47Å; F445-F487 CarbonylContact C-O 3.53Å; F445-F487 WeakPolarHBondContact CA-O 3.46Å; F445-E488 HydrophobicContact CB-CB 4.28Å; F445-E488 HydrophobicContact CB-CG 4.26Å; F445-E580 HydrophobicContact CD2-CG 4.11Å; F445-E580 HydrophobicContact CE1-CG 4.36Å; F445-E580 WeakPolarHBondContact CE1-OE1 3.45Å; F445-E580 HydrophobicContact CE2-CG 3.63Å; F445-E580 HydrophobicContact CZ-CG 3.78Å; F445-E580 WeakPolarHBondContact CZ-OE1 3.23Å; F445-E580 WeakPolarHBondContact CZ-OE2 3.44Å
446	G	95.6	Very high	94.2	Very high	8 Å²	8	48.2 Å²	48.2	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	106.2	-140.7	-178.1	0	0	0	0	0	111.4	F487	G446-F487 PolarHBondContact N-O 3.04Å; G446-F487 PolarHBondContact O-N 3.13Å
447	M	96.2	Very high	94.6	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.064	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.5	178.2	-69.7	-177.1	-64.6	0	0	110.8	K449 C478 G480 Q485 F578 E579	M447-K449 HydrophobicContact CB-CG 4.26Å; M447-K449 PolarHBondContact O-N 2.89Å; M447-C478 HydrophobicContact SD-CB 4.03Å; M447-G480 WeakPolarHBondContact SD-CA 3.45Å; M447-G480 PolarHBondContact SD-N 2.73Å; M447-G480 VanDerWaalsContact SD-N 3.39Å; M447-Q485 WeakPolarHBondContact CA-O 3.28Å; M447-Q485 HydrophobicContact CG-CB 4.4Å; M447-F578 CarbonylContact O-C 3.56Å; M447-F578 VanDerWaalsContact O-CA 3.32Å; M447-F578 WeakPolarHBondContact O-CA 3.09Å; M447-E579 HydrophobicContact CE-CB 4.4Å; M447-E579 HydrophobicContact CE-CG 4.35Å; M447-E579 VanDerWaalsContact CE-OE2 3.23Å; M447-E579 WeakPolarHBondContact CE-OE2 3.33Å; M447-E579 PolarHBondContact N-O 2.77Å; M447-E579 PolarHBondContact O-N 3.2Å
448	L	97.5	Very high	94.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	99.8	173.8	-176.3	55.1	0	0	0	110.4	C457 F458 I495 L541 W576 F578	L448-C457 CarbonylContact O-C 3.58Å; L448-C457 WeakPolarHBondContact O-CA 3.43Å; L448-F458 HydrophobicContact CB-CB 4.14Å; L448-F458 HydrophobicContact CB-CD1 4.25Å; L448-F458 HydrophobicContact CB-CG 4.13Å; L448-F458 HydrophobicContact CD2-CD1 3.91Å; L448-F458 HydrophobicContact CD2-CD2 3.76Å; L448-F458 HydrophobicContact CD2-CE1 3.86Å; L448-F458 HydrophobicContact CD2-CE2 3.72Å; L448-F458 HydrophobicContact CD2-CG 3.86Å; L448-F458 HydrophobicContact CD2-CZ 3.76Å; L448-F458 HydrophobicContact CG-CD1 3.92Å; L448-F458 HydrophobicContact CG-CE1 4.13Å; L448-F458 HydrophobicContact CG-CG 4.14Å; L448-F458 PolarHBondContact O-N 2.92Å; L448-I495 HydrophobicContact CD2-CG2 4.35Å; L448-L541 HydrophobicContact CD1-CD1 4.28Å; L448-L541 HydrophobicContact CD2-CD1 3.96Å; L448-W576 HydrophobicContact CD1-CB 3.94Å; L448-W576 HydrophobicContact CG-CE3 4.4Å; L448-F578 HydrophobicContact CB-CD1 4.23Å; L448-F578 HydrophobicContact CB-CE1 3.9Å; L448-F578 HydrophobicContact CB-CZ 4.4Å; L448-F578 HydrophobicContact CD1-CD1 4.29Å; L448-F578 HydrophobicContact CD1-CD2 4.19Å; L448-F578 HydrophobicContact CD1-CE1 4.05Å; L448-F578 HydrophobicContact CD1-CE2 3.91Å; L448-F578 HydrophobicContact CD1-CG 4.36Å; L448-F578 HydrophobicContact CD1-CZ 3.85Å; L448-F578 HydrophobicContact CD2-CE1 4.5Å; L448-F578 HydrophobicContact CD2-CZ 4.24Å; L448-F578 HydrophobicContact CG-CE1 4.37Å; L448-F578 HydrophobicContact CG-CZ 4.39Å
449	K	97.4	Very high	94.9	Very high	30 Å²	30	44.8 Å²	44.8	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.3	-169.7	-69.9	178.7	80.4	172.7	0	113.1	M447 C457 W576 F577 E579	M447-K449 HydrophobicContact CB-CG 4.26Å; M447-K449 PolarHBondContact O-N 2.89Å; K449-C457 WeakPolarHBondContact CG-SG 3.41Å; K449-W576 VanDerWaalsContact O-CA 3.24Å; K449-W576 WeakPolarHBondContact O-CA 3.45Å; K449-F577 HydrophobicContact CB-CD1 4.08Å; K449-F577 HydrophobicContact CB-CD2 4.46Å; K449-F577 HydrophobicContact CB-CE1 3.63Å; K449-F577 HydrophobicContact CB-CE2 4.05Å; K449-F577 HydrophobicContact CB-CG 4.48Å; K449-F577 HydrophobicContact CB-CZ 3.62Å; K449-F577 HydrophobicContact CD-CE2 3.92Å; K449-F577 HydrophobicContact CD-CZ 3.88Å; K449-F577 HydrophobicContact CG-CZ 4.32Å; K449-F577 PolarHBondContact N-O 2.69Å; K449-F577 PolarHBondContact O-N 2.72Å; K449-F577 VanDerWaalsContact O-N 3.08Å; K449-E579 HydrophobicContact CD-CB 3.66Å; K449-E579 HydrophobicContact CD-CG 4.28Å; K449-E579 VanDerWaalsContact CD-OE2 3.3Å; K449-E579 WeakPolarHBondContact CD-OE2 3.46Å; K449-E579 IonicContact NZ-OE1 2.72Å; K449-E579 PolarHBondContact NZ-OE1 3.13Å; K449-E579 IonicContact NZ-OE2 3.18Å; K449-E579 PolarHBondContact NZ-OE2 3.34Å
450	S	96.9	Very high	95.1	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.7	169.4	-172.1	0	0	0	0	111.3	G452 K453 Y456	S450-G452 PolarHBondContact OG-N 2.9Å; S450-K453 PolarHBondContact OG-N 3.36Å; S450-Y456 PolarHBondContact N-O 3.29Å; S450-Y456 VanDerWaalsContact N-O 3.07Å
451	R	96.2	Very high	95	Very high	130 Å²	130	44.8 Å²	44.8	49%	0.491	24%	0.242	S	C	.	.	S	Bend	trans	-81.2	-27.1	168.9	-63.2	-168.3	179.6	-172.9	-1.8	113.2	K575 F577	R451-K575 HydrophobicContact CB-CB 4.08Å; R451-K575 WeakPolarHBondContact CB-O 3.4Å; R451-K575 HydrophobicContact CG-CB 4.06Å; R451-K575 PolarHBondContact N-O 3.19Å; R451-F577 HydrophobicContact CG-CD1 3.67Å; R451-F577 HydrophobicContact CG-CE1 3.91Å
452	G	93.9	Very high	94.4	Very high	25 Å²	25	41.2 Å²	41.2	26%	0.258	23%	0.231	S	C	.	.	S	Bend	trans	-93.2	-22.1	-177	0	0	0	0	0	114.6	S450 L572	S450-G452 PolarHBondContact OG-N 2.9Å; G452-L572 WeakPolarHBondContact CA-O 3.08Å; G452-L572 PolarHBondContact N-O 2.98Å
453	K	93.8	Very high	93.6	Very high	30 Å²	30	38.3 Å²	38.3	13%	0.13	22%	0.222	C	C	.	.	S	Bend	trans	-114.6	89	173	-166.7	179.7	176.3	65.4	0	108.9	S450 N455 Y456 L475 A552 D554	S450-K453 PolarHBondContact OG-N 3.36Å; K453-N455 PolarHBondContact O-N 2.98Å; K453-Y456 HydrophobicContact CD-CD1 4.03Å; K453-Y456 HydrophobicContact CD-CD2 3.9Å; K453-Y456 HydrophobicContact CD-CE2 4.43Å; K453-Y456 HydrophobicContact CD-CG 3.67Å; K453-Y456 VanDerWaalsContact CE-CE1 3.45Å; K453-Y456 VanDerWaalsContact CE-CG 3.41Å; K453-Y456 HydrophobicContact CG-CD2 3.64Å; K453-Y456 HydrophobicContact CG-CE2 4.3Å; K453-Y456 HydrophobicContact CG-CG 3.82Å; K453-Y456 PolarHBondContact O-N 2.65Å; K453-L475 HydrophobicContact CD-CD1 4.14Å; K453-A552 HydrophobicContact CB-CB 4.13Å; K453-D554 IonicContact NZ-OD1 3.93Å; K453-D554 PolarHBondContact NZ-OD1 2.89Å
454	T	91.1	Very high	92.6	Very high	122 Å²	122	43 Å²	43	75%	0.748	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	134.9	-173.6	-47.9	0	0	0	0	111.6	Y456	T454-Y456 VanDerWaalsContact C-N 3.27Å; T454-Y456 WeakPolarHBondContact O-CD2 3.36Å; T454-Y456 PolarHBondContact O-N 3.44Å
455	N	91.9	Very high	91.1	Very high	89 Å²	89	45.9 Å²	45.9	48%	0.476	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	19.9	-179.9	-159.3	42.2	0	0	0	115.7	K453 P477 C478	K453-N455 PolarHBondContact O-N 2.98Å; N455-P477 CarbonylContact O-C 3.59Å; N455-P477 VanDerWaalsContact O-CA 3.28Å; N455-P477 WeakPolarHBondContact O-CA 3.31Å; N455-C478 VanDerWaalsContact C-SG 3.58Å; N455-C478 PolarHBondContact O-N 2.65Å
456	Y	96.8	Very high	89.5	Confident	66 Å²	66	54.5 Å²	54.5	26%	0.259	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.7	172.1	-81	-103.2	0	0	0	112.2	S450 K453 T454 L475 Y476 P477 P561	S450-Y456 PolarHBondContact N-O 3.29Å; S450-Y456 VanDerWaalsContact N-O 3.07Å; K453-Y456 HydrophobicContact CD-CD1 4.03Å; K453-Y456 HydrophobicContact CD-CD2 3.9Å; K453-Y456 HydrophobicContact CD-CE2 4.43Å; K453-Y456 HydrophobicContact CD-CG 3.67Å; K453-Y456 VanDerWaalsContact CE-CE1 3.45Å; K453-Y456 VanDerWaalsContact CE-CG 3.41Å; K453-Y456 HydrophobicContact CG-CD2 3.64Å; K453-Y456 HydrophobicContact CG-CE2 4.3Å; K453-Y456 HydrophobicContact CG-CG 3.82Å; K453-Y456 PolarHBondContact O-N 2.65Å; T454-Y456 VanDerWaalsContact C-N 3.27Å; T454-Y456 WeakPolarHBondContact O-CD2 3.36Å; T454-Y456 PolarHBondContact O-N 3.44Å; Y456-L475 HydrophobicContact CD1-CB 3.9Å; Y456-Y476 WeakPolarHBondContact CA-O 3.24Å; Y456-P477 HydrophobicContact CE1-CG 4.3Å; Y456-P561 HydrophobicContact CE1-CB 4.48Å; Y456-P561 HydrophobicContact CE1-CG 4.29Å
457	C	97.3	Very high	88.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155	-176.5	-76.8	0	0	0	0	110.3	L448 K449 D459 L475 Y476 C478	L448-C457 CarbonylContact O-C 3.58Å; L448-C457 WeakPolarHBondContact O-CA 3.43Å; K449-C457 WeakPolarHBondContact CG-SG 3.41Å; C457-D459 PolarHBondContact O-N 3.02Å; C457-L475 VanDerWaalsContact O-CA 3.28Å; C457-L475 WeakPolarHBondContact O-CA 3.47Å; C457-Y476 PolarHBondContact N-O 3.42Å; C457-Y476 PolarHBondContact O-N 3.35Å; C457-C478 HydrophobicContact CB-CB 4.16Å; C457-C478 WeakPolarHBondContact CB-SG 3.4Å; C457-C478 PolarHBondContact N-SG 3.42Å; C457-C478 WeakPolarHBondContact SG-CB 3.46Å; C457-C478 CovalentContact SG-SG 2.04Å; C457-C478 PolarHBondContact SG-SG 3.3Å
458	F	97.6	Very high	88.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	135.9	159.6	-84	41.9	0	0	0	109.2	L448 V473 L475 F487 L515 I550 P563 W576	L448-F458 HydrophobicContact CB-CB 4.14Å; L448-F458 HydrophobicContact CB-CD1 4.25Å; L448-F458 HydrophobicContact CB-CG 4.13Å; L448-F458 HydrophobicContact CD2-CD1 3.91Å; L448-F458 HydrophobicContact CD2-CD2 3.76Å; L448-F458 HydrophobicContact CD2-CE1 3.86Å; L448-F458 HydrophobicContact CD2-CE2 3.72Å; L448-F458 HydrophobicContact CD2-CG 3.86Å; L448-F458 HydrophobicContact CD2-CZ 3.76Å; L448-F458 HydrophobicContact CG-CD1 3.92Å; L448-F458 HydrophobicContact CG-CE1 4.13Å; L448-F458 HydrophobicContact CG-CG 4.14Å; L448-F458 PolarHBondContact O-N 2.92Å; F458-V473 HydrophobicContact CB-CG1 4.25Å; F458-V473 HydrophobicContact CD2-CG1 3.67Å; F458-V473 HydrophobicContact CE2-CG1 4.29Å; F458-V473 HydrophobicContact CG-CG1 4.11Å; F458-L475 HydrophobicContact CD1-CD2 3.98Å; F458-L475 HydrophobicContact CE1-CD2 4.46Å; F458-F487 HydrophobicContact CB-CD2 3.88Å; F458-F487 HydrophobicContact CB-CE2 3.53Å; F458-F487 HydrophobicContact CB-CZ 3.94Å; F458-F487 HydrophobicContact CD2-CE1 4.41Å; F458-F487 HydrophobicContact CD2-CZ 4.44Å; F458-L515 HydrophobicContact CE2-CD1 4.12Å; F458-L515 HydrophobicContact CZ-CD1 4.17Å; F458-I550 HydrophobicContact CE1-CG2 4.43Å; F458-I550 HydrophobicContact CZ-CD1 4.13Å; F458-I550 HydrophobicContact CZ-CG2 4.05Å; F458-P563 HydrophobicContact CD1-CG 4.5Å; F458-P563 HydrophobicContact CE1-CB 3.76Å; F458-P563 HydrophobicContact CE1-CG 4.15Å; F458-P563 HydrophobicContact CE2-CB 4.38Å; F458-P563 HydrophobicContact CE2-CG 4.23Å; F458-P563 HydrophobicContact CZ-CB 3.7Å; F458-P563 HydrophobicContact CZ-CG 4.02Å; F458-W576 AromaticContact CD1-CE3 4Å; F458-W576 HydrophobicContact CD1-CE3 4Å; F458-W576 HydrophobicContact CD1-CH2 4.15Å; F458-W576 AromaticContact CD1-CZ3 3.62Å; F458-W576 HydrophobicContact CD1-CZ3 3.62Å; F458-W576 HydrophobicContact CE1-CD2 4.07Å; F458-W576 AromaticContact CE1-CE3 3.64Å; F458-W576 HydrophobicContact CE1-CE3 3.64Å; F458-W576 AromaticContact CE1-CH2 3.64Å; F458-W576 HydrophobicContact CE1-CH2 3.64Å; F458-W576 HydrophobicContact CE1-CZ2 4.04Å; F458-W576 AromaticContact CE1-CZ3 3.42Å; F458-W576 HydrophobicContact CE1-CZ3 3.42Å; F458-W576 VanDerWaalsContact CE1-CZ3 3.42Å
459	D	96.1	Very high	87.7	Confident	6 Å²	6	62 Å²	62	3%	0.032	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.1	178.4	-162.3	-62	0	0	0	108.8	C457 I474 Y476 H479 N484 Q485	C457-D459 PolarHBondContact O-N 3.02Å; D459-I474 HydrophobicContact CB-CG1 3.98Å; D459-I474 PolarHBondContact N-O 3.12Å; D459-I474 WeakPolarHBondContact O-CG1 3.32Å; D459-I474 PolarHBondContact O-N 2.54Å; D459-Y476 WeakPolarHBondContact OD2-CB 3.27Å; D459-H479 IonicContact OD2-NE2 2.74Å; D459-N484 WeakPolarHBondContact CA-O 3.46Å; D459-N484 PolarHBondContact OD1-ND2 2.93Å; D459-N484 PolarHBondContact OD2-ND2 2.91Å; D459-Q485 HydrophobicContact CB-CG 4.21Å; D459-Q485 WeakPolarHBondContact OD2-CG 3.26Å; D459-Q485 PolarHBondContact OD2-NE2 3.09Å
460	Y	94.8	Very high	86.7	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.357	C	S	.	.			trans	-130.2	116	177.1	-175.1	-109.6	0	0	0	110.6	P462 L468 H471 V473 N484 Y497 V517	Y460-P462 HydrophobicContact CE1-CB 4.08Å; Y460-P462 HydrophobicContact CE1-CG 4.13Å; Y460-L468 WeakPolarHBondContact CE1-O 3.28Å; Y460-L468 PolarHBondContact OH-O 3.1Å; Y460-H471 HydrophobicContact CE2-CB 3.61Å; Y460-H471 WeakPolarHBondContact CE2-O 3.43Å; Y460-V473 HydrophobicContact CD2-CG2 4.03Å; Y460-N484 PolarHBondContact N-O 3.43Å; Y460-N484 WeakPolarHBondContact O-CA 3.48Å; Y460-N484 WeakPolarHBondContact O-CB 3.18Å; Y460-Y497 AromaticContact CD1-CD1 3.66Å; Y460-Y497 HydrophobicContact CD1-CD1 3.66Å; Y460-Y497 HydrophobicContact CD1-CD2 4.34Å; Y460-Y497 AromaticContact CD1-CE1 3.63Å; Y460-Y497 HydrophobicContact CD1-CE1 3.63Å; Y460-Y497 HydrophobicContact CD1-CE2 4.33Å; Y460-Y497 HydrophobicContact CD1-CG 4.02Å; Y460-Y497 AromaticContact CD1-CZ 3.98Å; Y460-Y497 HydrophobicContact CE1-CD1 4.18Å; Y460-Y497 HydrophobicContact CE1-CE1 4.18Å; Y460-V517 HydrophobicContact CD1-CB 4.37Å; Y460-V517 HydrophobicContact CD1-CG2 3.87Å; Y460-V517 HydrophobicContact CD2-CB 4.46Å; Y460-V517 HydrophobicContact CD2-CG2 3.7Å; Y460-V517 HydrophobicContact CE1-CB 3.85Å; Y460-V517 HydrophobicContact CE1-CG1 4.17Å; Y460-V517 HydrophobicContact CE1-CG2 3.85Å; Y460-V517 HydrophobicContact CE2-CB 3.95Å; Y460-V517 HydrophobicContact CE2-CG2 3.68Å; Y460-V517 HydrophobicContact CG-CG2 3.79Å
461	N	89.9	Confident	86.3	Confident	103 Å²	103	67.3 Å²	67.3	55%	0.551	37%	0.372	S	S	*	.			trans	-130	104.8	176.8	-174.7	1.6	0	0	0	109.5	G463	N461-G463 PolarHBondContact O-N 3Å; N461-G463 PolarHBondContact OD1-N 3.34Å; N461-G463 VanDerWaalsContact OD1-N 3.08Å
462	P	81.8	Confident	86	Confident	12 Å²	12	63.4 Å²	63.4	8%	0.078	36%	0.357	C	S	.	.			trans	-76.5	6.5	179.6	32.3	-35.3	0	0	0	113.9	Y460 E464 V467 H471	Y460-P462 HydrophobicContact CE1-CB 4.08Å; Y460-P462 HydrophobicContact CE1-CG 4.13Å; P462-E464 PolarHBondContact O-N 2.95Å; P462-V467 WeakPolarHBondContact CB-O 3.4Å; P462-V467 WeakPolarHBondContact CG-O 3.32Å; P462-H471 PolarHBondContact O-CE1 3.16Å; P462-H471 PolarHBondContact O-NE2 2.97Å
463	G	75.9	Confident	86.1	Confident	58 Å²	58	62.2 Å²	62.2	60%	0.598	35%	0.345	S	S	*	.	S	Bend	trans	77.9	-64	177.3	0	0	0	0	0	112.9	N461	N461-G463 PolarHBondContact O-N 3Å; N461-G463 PolarHBondContact OD1-N 3.34Å; N461-G463 VanDerWaalsContact OD1-N 3.08Å
464	E	72.3	Confident	86.2	Confident	136 Å²	136	63 Å²	63	64%	0.636	35%	0.35	S	S	*	.	S	Bend	trans	-94.7	132.7	174.2	-70.5	-172.4	-173.4	0	0	111.2	P462 Q466 V467	P462-E464 PolarHBondContact O-N 2.95Å; E464-Q466 PolarHBondContact O-N 3.48Å; E464-V467 HydrophobicContact CB-CG2 4.15Å; E464-V467 PolarHBondContact O-N 3.28Å; E464-V467 VanDerWaalsContact O-N 3.12Å
465	D	63.9	Low	86.5	Confident	122 Å²	122	57.4 Å²	57.4	65%	0.652	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.9	-174.6	-75.6	-20.5	0	0	0	114.5	R500	D465-R500 VanDerWaalsContact CB-NH1 3.33Å; D465-R500 IonicContact OD1-CZ 2.89Å; D465-R500 VanDerWaalsContact OD1-CZ 3.31Å; D465-R500 IonicContact OD1-NH1 2.79Å; D465-R500 PolarHBondContact OD1-NH1 3.22Å; D465-R500 IonicContact OD1-NH2 2.95Å; D465-R500 PolarHBondContact OD1-NH2 3.24Å; D465-R500 IonicContact OD2-NH1 3.04Å
466	Q	63.7	Low	86.7	Confident	188 Å²	188	59.1 Å²	59.1	88%	0.879	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.1	-178.4	-66.2	-172.7	-14.9	0	0	114	E464	E464-Q466 PolarHBondContact O-N 3.48Å
467	V	77.9	Confident	86.7	Confident	58 Å²	58	58.3 Å²	58.3	35%	0.352	32%	0.319	S	S	.	.			trans	-94	116.4	-179.6	179.6	0	0	0	0	107.5	P462 E464 E469	P462-V467 WeakPolarHBondContact CB-O 3.4Å; P462-V467 WeakPolarHBondContact CG-O 3.32Å; E464-V467 HydrophobicContact CB-CG2 4.15Å; E464-V467 PolarHBondContact O-N 3.28Å; E464-V467 VanDerWaalsContact O-N 3.12Å; V467-E469 VanDerWaalsContact CG1-O 3.26Å; V467-E469 WeakPolarHBondContact CG1-O 3.38Å
468	L	84.3	Confident	86.6	Confident	28 Å²	28	59.3 Å²	59.3	15%	0.147	33%	0.326	C	S	.	.			trans	-86.2	-39.7	174.9	178.9	64.6	0	0	0	111.8	Y460 Y497 P502 V517 Q519	Y460-L468 WeakPolarHBondContact CE1-O 3.28Å; Y460-L468 PolarHBondContact OH-O 3.1Å; L468-Y497 HydrophobicContact CD1-CD1 4.27Å; L468-P502 HydrophobicContact CD2-CB 4.36Å; L468-P502 HydrophobicContact CD2-CG 4Å; L468-V517 HydrophobicContact CD1-CG1 4.17Å; L468-V517 HydrophobicContact CG-CG1 4.38Å; L468-Q519 HydrophobicContact CD2-CB 4.06Å; L468-Q519 HydrophobicContact CD2-CG 4.39Å
469	E	87.3	Confident	86.3	Confident	93 Å²	93	61.7 Å²	61.7	44%	0.435	34%	0.337	S	S	.	.	S	Bend	trans	-103.4	177.9	-167.5	-52.1	-168.4	159.9	0	0	112.8	V467 H471 V517 V518 Q519	V467-E469 VanDerWaalsContact CG1-O 3.26Å; V467-E469 WeakPolarHBondContact CG1-O 3.38Å; E469-H471 PolarHBondContact O-N 3.03Å; E469-H471 PolarHBondContact O-ND1 3.42Å; E469-V517 WeakPolarHBondContact CA-O 3.49Å; E469-V518 WeakPolarHBondContact OE1-CA 3.39Å; E469-Q519 PolarHBondContact OE1-N 2.86Å
470	G	78.2	Confident	86	Confident	72 Å²	72	61.9 Å²	61.9	74%	0.742	34%	0.34	S	S	*	.	S	Bend	trans	86.5	3.3	168.4	0	0	0	0	0	115.6
471	H	87.2	Confident	85.6	Confident	76 Å²	76	68.1 Å²	68.1	35%	0.352	37%	0.371	S	S	.	.			trans	-117.2	156.1	176	-62.5	79.2	0	0	0	111.5	Y460 P462 E469 T516	Y460-H471 HydrophobicContact CE2-CB 3.61Å; Y460-H471 WeakPolarHBondContact CE2-O 3.43Å; P462-H471 PolarHBondContact O-CE1 3.16Å; P462-H471 PolarHBondContact O-NE2 2.97Å; E469-H471 PolarHBondContact O-N 3.03Å; E469-H471 PolarHBondContact O-ND1 3.42Å; H471-T516 WeakPolarHBondContact O-CA 3.36Å; H471-T516 WeakPolarHBondContact O-CB 3.34Å
472	R	91.1	Very high	85.5	Confident	47 Å²	47	63.7 Å²	63.7	18%	0.177	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-85.3	141.2	176.4	-166.9	-174.9	-67.8	179.4	-4.2	109.8	Y514 L515 D557 D558	R472-Y514 VanDerWaalsContact CZ-CE2 3.49Å; R472-L515 WeakPolarHBondContact CA-O 3.42Å; R472-L515 WeakPolarHBondContact CG-O 3.45Å; R472-D557 IonicContact CZ-OD1 3.71Å; R472-D557 VanDerWaalsContact CZ-OD1 3.29Å; R472-D557 IonicContact NH1-OD1 3.58Å; R472-D557 PolarHBondContact NH1-OD1 3.48Å; R472-D557 IonicContact NH2-OD1 2.69Å; R472-D557 PolarHBondContact NH2-OD1 3.12Å; R472-D557 IonicContact NH2-OD2 3.7Å; R472-D557 PolarHBondContact NH2-OD2 3.07Å; R472-D557 VanDerWaalsContact NH2-OD2 3.17Å; R472-D558 IonicContact NH1-OD1 2.71Å; R472-D558 IonicContact NH1-OD2 3.84Å
473	V	95.4	Very high	85.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.358	C	S	.	.			trans	-71.5	128.1	163.3	-176	0	0	0	0	107.8	F458 Y460 F487 V506 L515 V517 P563	F458-V473 HydrophobicContact CB-CG1 4.25Å; F458-V473 HydrophobicContact CD2-CG1 3.67Å; F458-V473 HydrophobicContact CE2-CG1 4.29Å; F458-V473 HydrophobicContact CG-CG1 4.11Å; Y460-V473 HydrophobicContact CD2-CG2 4.03Å; V473-F487 HydrophobicContact CG1-CZ 4.37Å; V473-V506 HydrophobicContact CG2-CG1 4.3Å; V473-V506 HydrophobicContact CG2-CG2 4.26Å; V473-L515 HydrophobicContact CB-CB 4.3Å; V473-L515 HydrophobicContact CG2-CB 4.37Å; V473-L515 PolarHBondContact N-O 3.29Å; V473-V517 HydrophobicContact CG2-CG2 3.79Å; V473-P563 HydrophobicContact CB-CG 4.17Å; V473-P563 HydrophobicContact CG1-CG 3.9Å; V473-P563 VanDerWaalsContact O-CD 3.26Å; V473-P563 WeakPolarHBondContact O-CD 3.29Å
474	I	95.7	Very high	86.6	Confident	48 Å²	48	64.7 Å²	64.7	25%	0.246	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	178.3	179.5	66.6	167.8	0	0	0	110.8	D459	D459-I474 HydrophobicContact CB-CG1 3.98Å; D459-I474 PolarHBondContact N-O 3.12Å; D459-I474 WeakPolarHBondContact O-CG1 3.32Å; D459-I474 PolarHBondContact O-N 2.54Å
475	L	97.1	Very high	87.7	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	165.3	-61.4	175.6	0	0	0	110.1	K453 Y456 C457 F458 A552 P561 W576	K453-L475 HydrophobicContact CD-CD1 4.14Å; Y456-L475 HydrophobicContact CD1-CB 3.9Å; C457-L475 VanDerWaalsContact O-CA 3.28Å; C457-L475 WeakPolarHBondContact O-CA 3.47Å; F458-L475 HydrophobicContact CD1-CD2 3.98Å; F458-L475 HydrophobicContact CE1-CD2 4.46Å; L475-A552 HydrophobicContact CD1-CB 3.56Å; L475-P561 HydrophobicContact CB-CB 4.03Å; L475-P561 PolarHBondContact N-O 3.01Å; L475-W576 HydrophobicContact CD1-CH2 4.15Å; L475-W576 HydrophobicContact CD2-CH2 3.69Å; L475-W576 HydrophobicContact CD2-CZ3 3.85Å
476	Y	96.1	Very high	89.2	Confident	125 Å²	125	52.7 Å²	52.7	49%	0.49	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.2	178.9	-162.6	-101.7	0	0	0	110.8	Y456 C457 D459 C478	Y456-Y476 WeakPolarHBondContact CA-O 3.24Å; C457-Y476 PolarHBondContact N-O 3.42Å; C457-Y476 PolarHBondContact O-N 3.35Å; D459-Y476 WeakPolarHBondContact OD2-CB 3.27Å; Y476-C478 PolarHBondContact O-N 3.47Å
477	P	96.5	Very high	90.8	Very high	49 Å²	49	43.8 Å²	43.8	32%	0.318	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	129	171.3	-31.1	37.7	0	0	0	112.5	N455 Y456 H479 Q485	N455-P477 CarbonylContact O-C 3.59Å; N455-P477 VanDerWaalsContact O-CA 3.28Å; N455-P477 WeakPolarHBondContact O-CA 3.31Å; Y456-P477 HydrophobicContact CE1-CG 4.3Å; P477-H479 PolarHBondContact O-N 2.92Å; P477-Q485 PolarHBondContact O-NE2 2.9Å
478	C	95.6	Very high	91.6	Very high	21 Å²	21	41 Å²	41	14%	0.142	22%	0.22	C	C	.	.			trans	-64.9	122.2	-179.3	-59.7	0	0	0	0	110.5	M447 N455 C457 Y476	M447-C478 HydrophobicContact SD-CB 4.03Å; N455-C478 VanDerWaalsContact C-SG 3.58Å; N455-C478 PolarHBondContact O-N 2.65Å; C457-C478 HydrophobicContact CB-CB 4.16Å; C457-C478 WeakPolarHBondContact CB-SG 3.4Å; C457-C478 PolarHBondContact N-SG 3.42Å; C457-C478 WeakPolarHBondContact SG-CB 3.46Å; C457-C478 CovalentContact SG-SG 2.04Å; C457-C478 PolarHBondContact SG-SG 3.3Å; Y476-C478 PolarHBondContact O-N 3.47Å
479	H	92.5	Very high	92.3	Very high	51 Å²	51	41 Å²	41	24%	0.236	22%	0.218	C	C	.	.			trans	-114.5	-21.6	178.2	55	73.1	0	0	0	112.8	D459 P477 M481 N484 Q485 K581	D459-H479 IonicContact OD2-NE2 2.74Å; P477-H479 PolarHBondContact O-N 2.92Å; H479-M481 HydrophobicContact CB-CG 4.41Å; H479-M481 WeakPolarHBondContact ND1-CB 3.15Å; H479-M481 WeakPolarHBondContact ND1-CG 3.44Å; H479-M481 PolarHBondContact ND1-N 3.19Å; H479-M481 PolarHBondContact O-N 3.33Å; H479-N484 PolarHBondContact CE1-OD1 3.1Å; H479-N484 VanDerWaalsContact CE1-OD1 3.24Å; H479-N484 PolarHBondContact NE2-ND2 2.81Å; H479-N484 PolarHBondContact NE2-OD1 3.49Å; H479-Q485 PolarHBondContact CD2-NE2 3.35Å; H479-Q485 PolarHBondContact CD2-OE1 3.24Å; H479-Q485 VanDerWaalsContact CD2-OE1 3.31Å; H479-Q485 WeakPolarHBondContact NE2-CG 2.99Å; H479-Q485 PolarHBondContact NE2-NE2 3.2Å; H479-Q485 PolarHBondContact NE2-OE1 3.04Å; H479-K581 PolarHBondContact O-NZ 3.4Å
480	G	87.9	Confident	92.6	Very high	9 Å²	9	36.6 Å²	36.6	9%	0.093	20%	0.198	C	C	.	.			trans	59.9	45.7	177.8	0	0	0	0	0	112.4	M447 K581	M447-G480 WeakPolarHBondContact SD-CA 3.45Å; M447-G480 PolarHBondContact SD-N 2.73Å; M447-G480 VanDerWaalsContact SD-N 3.39Å; G480-K581 WeakPolarHBondContact O-CD 3.04Å; G480-K581 WeakPolarHBondContact O-CE 3.38Å; G480-K581 PolarHBondContact O-NZ 2.74Å
481	M	86.6	Confident	93.2	Very high	131 Å²	131	36.5 Å²	36.5	65%	0.645	18%	0.183	S	C	*	.			trans	-99.6	6.3	171.2	-60.5	179.4	178.7	0	0	111.3	H479	H479-M481 HydrophobicContact CB-CG 4.41Å; H479-M481 WeakPolarHBondContact ND1-CB 3.15Å; H479-M481 WeakPolarHBondContact ND1-CG 3.44Å; H479-M481 PolarHBondContact ND1-N 3.19Å; H479-M481 PolarHBondContact O-N 3.33Å
482	G	88.3	Confident	93.4	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	68.8	-135.9	-170.6	0	0	0	0	0	111.1	N484 Q485	G482-N484 PolarHBondContact O-N 2.99Å; G482-N484 VanDerWaalsContact O-N 3.13Å; G482-N484 PolarHBondContact O-OD1 3.12Å; G482-Q485 PolarHBondContact O-N 3.4Å
483	Q	88.9	Confident	93.5	Very high	55 Å²	55	35.3 Å²	35.3	26%	0.257	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	52.2	-112.8	176	-53.1	-61.3	-40.4	0	0	112.3	Q485 F486 Y497 T499	Q483-Q485 PolarHBondContact O-N 3.45Å; Q483-F486 PolarHBondContact O-N 3.36Å; Q483-Y497 VanDerWaalsContact O-CE2 3.32Å; Q483-Y497 WeakPolarHBondContact O-CE2 3.48Å; Q483-T499 PolarHBondContact O-OG1 3.26Å
484	N	92.7	Very high	93.5	Very high	36 Å²	36	35.7 Å²	35.7	19%	0.193	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61	-22.7	-179.9	60.3	-36	0	0	0	114	D459 Y460 H479 G482 F487	D459-N484 WeakPolarHBondContact CA-O 3.46Å; D459-N484 PolarHBondContact OD1-ND2 2.93Å; D459-N484 PolarHBondContact OD2-ND2 2.91Å; Y460-N484 PolarHBondContact N-O 3.43Å; Y460-N484 WeakPolarHBondContact O-CA 3.48Å; Y460-N484 WeakPolarHBondContact O-CB 3.18Å; H479-N484 PolarHBondContact CE1-OD1 3.1Å; H479-N484 VanDerWaalsContact CE1-OD1 3.24Å; H479-N484 PolarHBondContact NE2-ND2 2.81Å; H479-N484 PolarHBondContact NE2-OD1 3.49Å; G482-N484 PolarHBondContact O-N 2.99Å; G482-N484 VanDerWaalsContact O-N 3.13Å; G482-N484 PolarHBondContact O-OD1 3.12Å; N484-F487 WeakPolarHBondContact O-CE2 3.48Å
485	Q	94.9	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-107.3	11.4	179.2	-65.5	-170.7	-11.4	0	0	113.7	M447 D459 P477 H479 G482 Q483	M447-Q485 WeakPolarHBondContact CA-O 3.28Å; M447-Q485 HydrophobicContact CG-CB 4.4Å; D459-Q485 HydrophobicContact CB-CG 4.21Å; D459-Q485 WeakPolarHBondContact OD2-CG 3.26Å; D459-Q485 PolarHBondContact OD2-NE2 3.09Å; P477-Q485 PolarHBondContact O-NE2 2.9Å; H479-Q485 PolarHBondContact CD2-NE2 3.35Å; H479-Q485 PolarHBondContact CD2-OE1 3.24Å; H479-Q485 VanDerWaalsContact CD2-OE1 3.31Å; H479-Q485 WeakPolarHBondContact NE2-CG 2.99Å; H479-Q485 PolarHBondContact NE2-NE2 3.2Å; H479-Q485 PolarHBondContact NE2-OE1 3.04Å; G482-Q485 PolarHBondContact O-N 3.4Å; Q483-Q485 PolarHBondContact O-N 3.45Å
486	F	95.2	Very high	93.5	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.031	17%	0.173	C	C	.	.			trans	-99.2	115.9	176.8	-175	-79.2	0	0	0	110.2	H396 R397 F445 Q483 T499	H396-F486 HydrophobicContact CB-CE2 4.05Å; H396-F486 HydrophobicContact CB-CZ 4.03Å; H396-F486 VanDerWaalsContact O-CE2 3.28Å; H396-F486 WeakPolarHBondContact O-CE2 3.38Å; R397-F486 HydrophobicContact CG-CD1 4.27Å; R397-F486 HydrophobicContact CG-CE1 3.94Å; R397-F486 HydrophobicContact CG-CE2 4.47Å; R397-F486 HydrophobicContact CG-CZ 4.04Å; F445-F486 HydrophobicContact CB-CZ 4.32Å; F445-F486 AromaticContact CD2-CE2 3.88Å; F445-F486 HydrophobicContact CD2-CE2 3.88Å; F445-F486 AromaticContact CD2-CZ 3.84Å; F445-F486 HydrophobicContact CD2-CZ 3.84Å; F445-F486 HydrophobicContact CG-CZ 4.47Å; Q483-F486 PolarHBondContact O-N 3.36Å; F486-T499 WeakPolarHBondContact CB-OG1 3.45Å
487	F	96.6	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.7	176	-66.2	-96.1	0	0	0	110.2	F445 G446 F458 V473 N484 I495 C496 Y497 V506 F578	F445-F487 CarbonylContact C-O 3.53Å; F445-F487 WeakPolarHBondContact CA-O 3.46Å; G446-F487 PolarHBondContact N-O 3.04Å; G446-F487 PolarHBondContact O-N 3.13Å; F458-F487 HydrophobicContact CB-CD2 3.88Å; F458-F487 HydrophobicContact CB-CE2 3.53Å; F458-F487 HydrophobicContact CB-CZ 3.94Å; F458-F487 HydrophobicContact CD2-CE1 4.41Å; F458-F487 HydrophobicContact CD2-CZ 4.44Å; V473-F487 HydrophobicContact CG1-CZ 4.37Å; N484-F487 WeakPolarHBondContact O-CE2 3.48Å; F487-I495 HydrophobicContact CB-CG2 4.38Å; F487-I495 HydrophobicContact CD1-CG2 4.01Å; F487-C496 CarbonylContact C-O 3.48Å; F487-C496 VanDerWaalsContact CA-O 3.24Å; F487-C496 WeakPolarHBondContact CA-O 3.39Å; F487-Y497 HydrophobicContact CE1-CD2 4.07Å; F487-Y497 HydrophobicContact CE1-CG 4.44Å; F487-Y497 HydrophobicContact CZ-CD2 4.1Å; F487-V506 HydrophobicContact CD1-CG2 4.28Å; F487-V506 HydrophobicContact CE1-CG2 4.02Å; F487-F578 HydrophobicContact CB-CE1 4.12Å
488	E	96.6	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.3	173.3	-177.8	-164.8	177.6	0	0	109.6	P438 H439 D440 M444 F445 I495 C496 N498	P438-E488 WeakPolarHBondContact CB-OE2 3.4Å; H439-E488 WeakPolarHBondContact CA-OE1 3.4Å; H439-E488 WeakPolarHBondContact CB-OE1 3.47Å; H439-E488 PolarHBondContact N-OE1 3.08Å; H439-E488 IonicContact ND1-OE1 3.18Å; D440-E488 PolarHBondContact N-OE1 2.78Å; M444-E488 CarbonylContact O-C 3.48Å; F445-E488 HydrophobicContact CB-CB 4.28Å; F445-E488 HydrophobicContact CB-CG 4.26Å; E488-I495 CarbonylContact O-C 3.52Å; E488-I495 WeakPolarHBondContact O-CA 3.34Å; E488-C496 HydrophobicContact CB-CB 4.36Å; E488-C496 PolarHBondContact N-O 2.95Å; E488-C496 PolarHBondContact O-N 2.97Å; E488-N498 PolarHBondContact OE2-ND2 2.91Å
489	Y	96.9	Very high	93	Very high	27 Å²	27	24.8 Å²	24.8	11%	0.106	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	105.9	166.1	-179.3	-113.3	0	0	0	111.2	R441 M444 E494 I495 F533 F535	R441-Y489 PolarHBondContact NH2-O 2.76Å; M444-Y489 PolarHBondContact O-N 2.92Å; M444-Y489 HydrophobicContact SD-CD1 3.86Å; Y489-E494 WeakPolarHBondContact CA-O 3.32Å; Y489-E494 WeakPolarHBondContact CD2-O 3.34Å; Y489-I495 HydrophobicContact CD2-CG1 4.19Å; Y489-F533 HydrophobicContact CE2-CB 4.35Å; Y489-F533 WeakPolarHBondContact CE2-O 3.3Å; Y489-F533 PolarHBondContact OH-O 2.8Å; Y489-F535 HydrophobicContact CD1-CB 4Å; Y489-F535 HydrophobicContact CD1-CD1 4.05Å; Y489-F535 HydrophobicContact CE1-CB 3.53Å; Y489-F535 HydrophobicContact CE1-CD1 4.42Å; Y489-F535 HydrophobicContact CE2-CB 4.13Å; Y489-F535 HydrophobicContact CG-CB 4.48Å; Y489-F535 HydrophobicContact CG-CD1 4.31Å; Y489-F535 PolarHBondContact OH-N 3.4Å; Y489-F535 VanDerWaalsContact OH-N 3.08Å
490	S	93.8	Very high	92.7	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.131	C	C	.	.			trans	-67.7	162.1	-173.5	86.6	0	0	0	0	112.5	R441 D492 G493 E494	R441-S490 PolarHBondContact NH2-O 3.01Å; S490-D492 PolarHBondContact O-N 3.08Å; S490-D492 PolarHBondContact OG-N 2.81Å; S490-G493 PolarHBondContact O-N 3.17Å; S490-G493 PolarHBondContact OG-N 3.31Å; S490-E494 PolarHBondContact N-O 3.24Å; S490-E494 WeakPolarHBondContact OG-CB 2.9Å; S490-E494 PolarHBondContact OG-N 2.89Å
491	V	91.9	Very high	92.6	Very high	69 Å²	69	26.7 Å²	26.7	42%	0.418	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.3	174.8	-66.5	0	0	0	0	112.8	G493	V491-G493 VanDerWaalsContact C-N 3.33Å
492	D	90.8	Very high	92.7	Very high	93 Å²	93	22.9 Å²	22.9	50%	0.497	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.8	-178.2	-60	-59.4	0	0	0	113.5	S490 I527	S490-D492 PolarHBondContact O-N 3.08Å; S490-D492 PolarHBondContact OG-N 2.81Å; D492-I527 HydrophobicContact CB-CD1 3.11Å
493	G	94.1	Very high	92.9	Very high	6 Å²	6	22.8 Å²	22.8	6%	0.062	12%	0.12	C	C	.	.	S	Bend	trans	90.1	17	175.2	0	0	0	0	0	114.8	S490 V491 F533	S490-G493 PolarHBondContact O-N 3.17Å; S490-G493 PolarHBondContact OG-N 3.31Å; V491-G493 VanDerWaalsContact C-N 3.33Å; G493-F533 WeakPolarHBondContact CA-O 3.45Å; G493-F533 WeakPolarHBondContact O-CA 3.25Å; G493-F533 PolarHBondContact O-N 3.07Å; G493-F533 VanDerWaalsContact O-O 3.11Å
494	E	95.6	Very high	93.1	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.033	11%	0.107	C	C	.	.			trans	-88.7	148.5	175.1	-59.8	175.3	110.4	0	0	110.5	Y489 S490 C505 I527 H531	Y489-E494 WeakPolarHBondContact CA-O 3.32Å; Y489-E494 WeakPolarHBondContact CD2-O 3.34Å; S490-E494 PolarHBondContact N-O 3.24Å; S490-E494 WeakPolarHBondContact OG-CB 2.9Å; S490-E494 PolarHBondContact OG-N 2.89Å; E494-C505 PolarHBondContact OE1-SG 3.46Å; E494-I527 HydrophobicContact CG-CD1 4.34Å; E494-I527 HydrophobicContact CG-CG2 3.8Å; E494-I527 WeakPolarHBondContact OE2-CD1 3.32Å; E494-H531 HydrophobicContact CG-CB 4.25Å; E494-H531 IonicContact OE1-ND1 3.27Å; E494-H531 PolarHBondContact OE1-ND1 2.76Å
495	I	96.9	Very high	93.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.5	166.3	-58.4	169.2	0	0	0	106.6	L448 F487 E488 Y489 V506 F533 L541 I550	L448-I495 HydrophobicContact CD2-CG2 4.35Å; F487-I495 HydrophobicContact CB-CG2 4.38Å; F487-I495 HydrophobicContact CD1-CG2 4.01Å; E488-I495 CarbonylContact O-C 3.52Å; E488-I495 WeakPolarHBondContact O-CA 3.34Å; Y489-I495 HydrophobicContact CD2-CG1 4.19Å; I495-V506 HydrophobicContact CB-CB 4.05Å; I495-V506 HydrophobicContact CB-CG2 4.12Å; I495-V506 HydrophobicContact CG2-CB 4.28Å; I495-V506 HydrophobicContact CG2-CG2 3.82Å; I495-V506 WeakPolarHBondContact O-CG2 3.36Å; I495-V506 PolarHBondContact O-N 2.84Å; I495-F533 HydrophobicContact CD1-CB 4.38Å; I495-F533 HydrophobicContact CD1-CD1 4.22Å; I495-F533 HydrophobicContact CD1-CD2 4.03Å; I495-F533 HydrophobicContact CD1-CE2 4.41Å; I495-F533 HydrophobicContact CD1-CG 3.94Å; I495-F533 HydrophobicContact CG1-CD2 4.11Å; I495-F533 HydrophobicContact CG1-CG 4.31Å; I495-L541 HydrophobicContact CD1-CD1 4.18Å; I495-L541 HydrophobicContact CD1-CD2 4.33Å; I495-I550 HydrophobicContact CD1-CD1 4.07Å
496	C	95.8	Very high	93.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.2	-172.7	-55.8	0	0	0	0	111.4	F487 E488 N498 G504	F487-C496 CarbonylContact C-O 3.48Å; F487-C496 VanDerWaalsContact CA-O 3.24Å; F487-C496 WeakPolarHBondContact CA-O 3.39Å; E488-C496 HydrophobicContact CB-CB 4.36Å; E488-C496 PolarHBondContact N-O 2.95Å; E488-C496 PolarHBondContact O-N 2.97Å; C496-N498 HydrophobicContact CB-CB 4.35Å; C496-G504 CarbonylContact C-O 3.58Å; C496-G504 VanDerWaalsContact CA-O 3.28Å; C496-G504 WeakPolarHBondContact CA-O 3.35Å
497	Y	94.6	Very high	93.3	Very high	13 Å²	13	18.4 Å²	18.4	5%	0.051	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	92.7	163.3	178.3	-106.5	0	0	0	108.7	Y460 L468 Q483 F487 G504	Y460-Y497 AromaticContact CD1-CD1 3.66Å; Y460-Y497 HydrophobicContact CD1-CD1 3.66Å; Y460-Y497 HydrophobicContact CD1-CD2 4.34Å; Y460-Y497 AromaticContact CD1-CE1 3.63Å; Y460-Y497 HydrophobicContact CD1-CE1 3.63Å; Y460-Y497 HydrophobicContact CD1-CE2 4.33Å; Y460-Y497 HydrophobicContact CD1-CG 4.02Å; Y460-Y497 AromaticContact CD1-CZ 3.98Å; Y460-Y497 HydrophobicContact CE1-CD1 4.18Å; Y460-Y497 HydrophobicContact CE1-CE1 4.18Å; L468-Y497 HydrophobicContact CD1-CD1 4.27Å; Q483-Y497 VanDerWaalsContact O-CE2 3.32Å; Q483-Y497 WeakPolarHBondContact O-CE2 3.48Å; F487-Y497 HydrophobicContact CE1-CD2 4.07Å; F487-Y497 HydrophobicContact CE1-CG 4.44Å; F487-Y497 HydrophobicContact CZ-CD2 4.1Å; Y497-G504 PolarHBondContact N-O 3.37Å; Y497-G504 PolarHBondContact O-N 3.05Å
498	N	93	Very high	93.1	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	11%	0.106	C	C	.	.			trans	-132.7	28.9	-165.1	66.2	14	0	0	0	114	R397 F436 E488 C496 R500 A503	R397-N498 PolarHBondContact NE-O 2.69Å; R397-N498 PolarHBondContact NH2-OD1 2.94Å; F436-N498 HydrophobicContact CD1-CB 4.32Å; F436-N498 HydrophobicContact CE1-CB 4.23Å; F436-N498 VanDerWaalsContact CE1-ND2 3.3Å; F436-N498 WeakPolarHBondContact CE1-ND2 3.15Å; E488-N498 PolarHBondContact OE2-ND2 2.91Å; C496-N498 HydrophobicContact CB-CB 4.35Å; N498-R500 PolarHBondContact O-N 2.87Å; N498-A503 HydrophobicContact CB-CB 3.88Å
499	T	89.3	Confident	92.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-65.4	-30.4	168.5	-59.9	0	0	0	0	111.5	R281 R397 Q483 F486	R281-T499 HydrophobicContact CG-CG2 4.03Å; R281-T499 WeakPolarHBondContact CG-O 3.26Å; R397-T499 HydrophobicContact CB-CG2 4.43Å; Q483-T499 PolarHBondContact O-OG1 3.26Å; F486-T499 WeakPolarHBondContact CB-OG1 3.45Å
500	R	86.4	Confident	91.5	Very high	63 Å²	63	25.7 Å²	25.7	24%	0.238	15%	0.15	C	C	.	.	S	Bend	trans	-122.5	160.1	-179.9	-54	-169.3	179	178.5	-3.5	110	D465 N498 P502	D465-R500 VanDerWaalsContact CB-NH1 3.33Å; D465-R500 IonicContact OD1-CZ 2.89Å; D465-R500 VanDerWaalsContact OD1-CZ 3.31Å; D465-R500 IonicContact OD1-NH1 2.79Å; D465-R500 PolarHBondContact OD1-NH1 3.22Å; D465-R500 IonicContact OD1-NH2 2.95Å; D465-R500 PolarHBondContact OD1-NH2 3.24Å; D465-R500 IonicContact OD2-NH1 3.04Å; N498-R500 PolarHBondContact O-N 2.87Å; R500-P502 CarbonylContact O-C 3.53Å
501	D	85.4	Confident	90.7	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.203	19%	0.185	C	C	.	.	S	Bend	trans	-101.6	139.4	170.6	-167.7	76.5	0	0	0	110	D279 H287	D279-D501 HydrophobicContact CB-CB 3.96Å; H287-D501 IonicContact CE1-OD2 2.71Å; H287-D501 PolarHBondContact CE1-OD2 2.91Å; H287-D501 IonicContact ND1-OD2 3.42Å
502	P	88.8	Confident	89.8	Confident	51 Å²	51	32.3 Å²	32.3	33%	0.331	18%	0.182	S	C	.	.	S	Bend	cis	-67.8	147.6	-2.4	26.5	-31.8	0	0	0	113.3	L468 R500 Q519	L468-P502 HydrophobicContact CD2-CB 4.36Å; L468-P502 HydrophobicContact CD2-CG 4Å; R500-P502 CarbonylContact O-C 3.53Å; P502-Q519 HydrophobicContact CB-CG 4.24Å
503	A	91.7	Very high	89.6	Confident	7 Å²	7	30.3 Å²	30.3	6%	0.058	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-66.4	134	174.7	0	0	0	0	0	111.4	F436 N498 C520	F436-A503 HydrophobicContact CB-CB 3.79Å; F436-A503 HydrophobicContact CD1-CB 3.84Å; F436-A503 HydrophobicContact CD2-CB 4.16Å; F436-A503 HydrophobicContact CG-CB 3.64Å; N498-A503 HydrophobicContact CB-CB 3.88Å; A503-C520 HydrophobicContact CB-CB 4.39Å; A503-C520 PolarHBondContact O-N 2.93Å
504	G	94.1	Very high	89.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.2	174.8	0	0	0	0	0	112.7	C496 Y497 V518 C520	C496-G504 CarbonylContact C-O 3.58Å; C496-G504 VanDerWaalsContact CA-O 3.28Å; C496-G504 WeakPolarHBondContact CA-O 3.35Å; Y497-G504 PolarHBondContact N-O 3.37Å; Y497-G504 PolarHBondContact O-N 3.05Å; G504-V518 CarbonylContact C-O 3.52Å; G504-V518 VanDerWaalsContact CA-O 3.27Å; G504-V518 WeakPolarHBondContact CA-O 3.43Å; G504-C520 PolarHBondContact O-SG 3.08Å
505	C	95.1	Very high	89.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.5	177.1	-83.5	0	0	0	0	108.6	E494 V517 V518 C520	E494-C505 PolarHBondContact OE1-SG 3.46Å; C505-V517 WeakPolarHBondContact O-CA 3.33Å; C505-V518 PolarHBondContact N-O 3.23Å; C505-V518 PolarHBondContact O-N 3.49Å; C505-C520 VanDerWaalsContact CA-SG 3.54Å; C505-C520 HydrophobicContact CB-CB 4.09Å; C505-C520 WeakPolarHBondContact CB-SG 3.3Å; C505-C520 PolarHBondContact N-SG 3.39Å; C505-C520 VanDerWaalsContact SG-CA 3.5Å; C505-C520 WeakPolarHBondContact SG-CB 3.41Å; C505-C520 CovalentContact SG-SG 2.04Å; C505-C520 PolarHBondContact SG-SG 3.28Å
506	V	95.9	Very high	89.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129	179	179.6	0	0	0	0	108.9	V473 F487 I495 L515 T516 V517 F533	V473-V506 HydrophobicContact CG2-CG1 4.3Å; V473-V506 HydrophobicContact CG2-CG2 4.26Å; F487-V506 HydrophobicContact CD1-CG2 4.28Å; F487-V506 HydrophobicContact CE1-CG2 4.02Å; I495-V506 HydrophobicContact CB-CB 4.05Å; I495-V506 HydrophobicContact CB-CG2 4.12Å; I495-V506 HydrophobicContact CG2-CB 4.28Å; I495-V506 HydrophobicContact CG2-CG2 3.82Å; I495-V506 WeakPolarHBondContact O-CG2 3.36Å; I495-V506 PolarHBondContact O-N 2.84Å; V506-L515 HydrophobicContact CG1-CB 3.73Å; V506-L515 HydrophobicContact CG1-CD1 3.88Å; V506-L515 HydrophobicContact CG1-CD2 4.48Å; V506-L515 HydrophobicContact CG1-CG 4.24Å; V506-T516 CarbonylContact C-O 3.56Å; V506-T516 VanDerWaalsContact CA-O 3.31Å; V506-T516 WeakPolarHBondContact CA-O 3.48Å; V506-V517 HydrophobicContact CG2-CG2 4.31Å; V506-F533 WeakPolarHBondContact O-CE2 3.46Å
507	V	95.1	Very high	89.3	Confident	7 Å²	7	32.5 Å²	32.5	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.5	177.3	-63.9	0	0	0	0	110.3	L515 T516 V518 H531	V507-L515 CarbonylContact O-C 3.5Å; V507-L515 WeakPolarHBondContact O-CA 3.37Å; V507-T516 PolarHBondContact N-O 3.22Å; V507-T516 PolarHBondContact O-N 3.37Å; V507-V518 HydrophobicContact CB-CG2 4.34Å; V507-V518 HydrophobicContact CG1-CG2 3.58Å; V507-V518 HydrophobicContact CG2-CB 4.3Å; V507-V518 HydrophobicContact CG2-CG1 3.64Å; V507-V518 HydrophobicContact CG2-CG2 3.77Å; V507-H531 HydrophobicContact CG1-CB 4.45Å; V507-H531 WeakPolarHBondContact CG1-CD2 3.38Å
508	P	92.5	Very high	89.2	Confident	23 Å²	23	33.7 Å²	33.7	15%	0.149	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.9	168.5	-12.9	27.4	0	0	0	111.4	S510 D530 H543 L565	P508-S510 PolarHBondContact O-N 2.97Å; P508-D530 WeakPolarHBondContact CD-O 3.35Å; P508-H543 WeakPolarHBondContact CG-CE1 3.41Å; P508-H543 WeakPolarHBondContact CG-NE2 3.39Å; P508-L565 HydrophobicContact CB-CD1 3.68Å; P508-L565 HydrophobicContact CG-CD1 3.75Å
509	D	86.3	Confident	89.2	Confident	38 Å²	38	38.3 Å²	38.3	20%	0.203	21%	0.212	C	C	.	.			trans	-61.8	133.5	164.5	-177	-19	0	0	0	109.4	I511 N512 Y514 T516	D509-I511 PolarHBondContact O-N 3.41Å; D509-I511 PolarHBondContact OD1-N 2.96Å; D509-N512 HydrophobicContact CB-CB 4.15Å; D509-N512 PolarHBondContact OD2-ND2 3.39Å; D509-Y514 PolarHBondContact N-O 2.95Å; D509-T516 HydrophobicContact CB-CG2 4.15Å
510	S	73.5	Confident	89.2	Confident	119 Å²	119	38.8 Å²	38.8	83%	0.832	22%	0.215	S	C	*	.	S	Bend	trans	-60.7	-24.9	178.9	61.9	0	0	0	0	114	P508	P508-S510 PolarHBondContact O-N 2.97Å
511	I	77.1	Confident	89.3	Confident	146 Å²	146	37.3 Å²	37.3	75%	0.749	21%	0.213	S	C	*	.	S	Bend	trans	-105.1	-43.6	-176.1	-58.5	174.5	0	0	0	110.8	D509	D509-I511 PolarHBondContact O-N 3.41Å; D509-I511 PolarHBondContact OD1-N 2.96Å
512	N	73.6	Confident	89.1	Confident	64 Å²	64	40.1 Å²	40.1	34%	0.342	22%	0.224	S	C	.	.	S	Bend	trans	-102.5	159.2	-173.3	-59.3	-54.8	0	0	0	112	D509 Y514	D509-N512 HydrophobicContact CB-CB 4.15Å; D509-N512 PolarHBondContact OD2-ND2 3.39Å; N512-Y514 HydrophobicContact CB-CD2 3.55Å; N512-Y514 HydrophobicContact CB-CE2 4.17Å; N512-Y514 HydrophobicContact CB-CG 4.38Å; N512-Y514 PolarHBondContact O-N 2.64Å; N512-Y514 VanDerWaalsContact O-N 3.11Å
513	T	86.2	Confident	88.5	Confident	51 Å²	51	45.2 Å²	45.2	31%	0.313	24%	0.236	S	C	.	.	S	Bend	trans	-74.4	7.7	172.7	55.3	0	0	0	0	113.6	A564 L565	T513-A564 CarbonylContact O-C 3.48Å; T513-A564 VanDerWaalsContact O-CA 3.3Å; T513-A564 WeakPolarHBondContact O-CA 3.49Å; T513-L565 PolarHBondContact O-N 3.36Å
514	Y	92.9	Very high	87.8	Confident	32 Å²	32	49 Å²	49	13%	0.125	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-90.4	170.5	-175.5	-55.1	-58.7	0	0	0	111.8	R472 D509 N512 V553 T556 D557 A562 A564	R472-Y514 VanDerWaalsContact CZ-CE2 3.49Å; D509-Y514 PolarHBondContact N-O 2.95Å; N512-Y514 HydrophobicContact CB-CD2 3.55Å; N512-Y514 HydrophobicContact CB-CE2 4.17Å; N512-Y514 HydrophobicContact CB-CG 4.38Å; N512-Y514 PolarHBondContact O-N 2.64Å; N512-Y514 VanDerWaalsContact O-N 3.11Å; Y514-V553 HydrophobicContact CE1-CG2 4.44Å; Y514-T556 HydrophobicContact CD1-CG2 4.23Å; Y514-T556 HydrophobicContact CE1-CG2 3.59Å; Y514-T556 WeakPolarHBondContact OH-CA 3.21Å; Y514-D557 VanDerWaalsContact CE2-OD1 3.23Å; Y514-D557 WeakPolarHBondContact CE2-OD1 3.47Å; Y514-D557 PolarHBondContact OH-N 2.82Å; Y514-D557 PolarHBondContact OH-OD1 3Å; Y514-A562 HydrophobicContact CD1-CB 4.48Å; Y514-A564 HydrophobicContact CD1-CB 3.79Å; Y514-A564 HydrophobicContact CE1-CB 4.01Å
515	L	94.9	Very high	87.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.7	178.9	-55.1	-179.7	0	0	0	110.4	F458 R472 V473 V506 V507 F533 I550 P563 L565	F458-L515 HydrophobicContact CE2-CD1 4.12Å; F458-L515 HydrophobicContact CZ-CD1 4.17Å; R472-L515 WeakPolarHBondContact CA-O 3.42Å; R472-L515 WeakPolarHBondContact CG-O 3.45Å; V473-L515 HydrophobicContact CB-CB 4.3Å; V473-L515 HydrophobicContact CG2-CB 4.37Å; V473-L515 PolarHBondContact N-O 3.29Å; V506-L515 HydrophobicContact CG1-CB 3.73Å; V506-L515 HydrophobicContact CG1-CD1 3.88Å; V506-L515 HydrophobicContact CG1-CD2 4.48Å; V506-L515 HydrophobicContact CG1-CG 4.24Å; V507-L515 CarbonylContact O-C 3.5Å; V507-L515 WeakPolarHBondContact O-CA 3.37Å; L515-F533 HydrophobicContact CD2-CZ 4.47Å; L515-I550 HydrophobicContact CD1-CD1 3.72Å; L515-I550 HydrophobicContact CD1-CG1 4.15Å; L515-I550 HydrophobicContact CD1-CG2 4.2Å; L515-P563 HydrophobicContact CD1-CB 3.85Å; L515-P563 HydrophobicContact CD1-CG 3.96Å; L515-P563 HydrophobicContact CG-CG 4.45Å; L515-L565 HydrophobicContact CD2-CD2 4.5Å; L515-L565 HydrophobicContact CD2-CG 4.22Å
516	T	94.1	Very high	87	Confident	27 Å²	27	59.1 Å²	59.1	17%	0.166	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	175.4	173.8	55.8	0	0	0	0	109.2	H471 V506 V507 D509	H471-T516 WeakPolarHBondContact O-CA 3.36Å; H471-T516 WeakPolarHBondContact O-CB 3.34Å; V506-T516 CarbonylContact C-O 3.56Å; V506-T516 VanDerWaalsContact CA-O 3.31Å; V506-T516 WeakPolarHBondContact CA-O 3.48Å; V507-T516 PolarHBondContact N-O 3.22Å; V507-T516 PolarHBondContact O-N 3.37Å; D509-T516 HydrophobicContact CB-CG2 4.15Å
517	V	94	Very high	86.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132	175.1	177.9	0	0	0	0	109.2	Y460 L468 E469 V473 C505 V506	Y460-V517 HydrophobicContact CD1-CB 4.37Å; Y460-V517 HydrophobicContact CD1-CG2 3.87Å; Y460-V517 HydrophobicContact CD2-CB 4.46Å; Y460-V517 HydrophobicContact CD2-CG2 3.7Å; Y460-V517 HydrophobicContact CE1-CB 3.85Å; Y460-V517 HydrophobicContact CE1-CG1 4.17Å; Y460-V517 HydrophobicContact CE1-CG2 3.85Å; Y460-V517 HydrophobicContact CE2-CB 3.95Å; Y460-V517 HydrophobicContact CE2-CG2 3.68Å; Y460-V517 HydrophobicContact CG-CG2 3.79Å; L468-V517 HydrophobicContact CD1-CG1 4.17Å; L468-V517 HydrophobicContact CG-CG1 4.38Å; E469-V517 WeakPolarHBondContact CA-O 3.49Å; V473-V517 HydrophobicContact CG2-CG2 3.79Å; C505-V517 WeakPolarHBondContact O-CA 3.33Å; V506-V517 HydrophobicContact CG2-CG2 4.31Å
518	V	92.9	Very high	86.6	Confident	37 Å²	37	62.2 Å²	62.2	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	163.7	170.4	-63.6	0	0	0	0	109.6	E469 G504 C505 V507 C520	E469-V518 WeakPolarHBondContact OE1-CA 3.39Å; G504-V518 CarbonylContact C-O 3.52Å; G504-V518 VanDerWaalsContact CA-O 3.27Å; G504-V518 WeakPolarHBondContact CA-O 3.43Å; C505-V518 PolarHBondContact N-O 3.23Å; C505-V518 PolarHBondContact O-N 3.49Å; V507-V518 HydrophobicContact CB-CG2 4.34Å; V507-V518 HydrophobicContact CG1-CG2 3.58Å; V507-V518 HydrophobicContact CG2-CB 4.3Å; V507-V518 HydrophobicContact CG2-CG1 3.64Å; V507-V518 HydrophobicContact CG2-CG2 3.77Å; V518-C520 PolarHBondContact O-N 2.83Å
519	Q	92.4	Very high	86.5	Confident	100 Å²	100	66 Å²	66	47%	0.467	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.1	173.4	-171.8	171.3	2.9	0	0	111.1	L468 E469 P502	L468-Q519 HydrophobicContact CD2-CB 4.06Å; L468-Q519 HydrophobicContact CD2-CG 4.39Å; E469-Q519 PolarHBondContact OE1-N 2.86Å; P502-Q519 HydrophobicContact CB-CG 4.24Å
520	C	91.1	Very high	86.8	Confident	10 Å²	10	67 Å²	67	7%	0.068	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-61.3	148.7	173.7	-70.3	0	0	0	0	111.1	A503 G504 C505 V518	A503-C520 HydrophobicContact CB-CB 4.39Å; A503-C520 PolarHBondContact O-N 2.93Å; G504-C520 PolarHBondContact O-SG 3.08Å; C505-C520 VanDerWaalsContact CA-SG 3.54Å; C505-C520 HydrophobicContact CB-CB 4.09Å; C505-C520 WeakPolarHBondContact CB-SG 3.3Å; C505-C520 PolarHBondContact N-SG 3.39Å; C505-C520 VanDerWaalsContact SG-CA 3.5Å; C505-C520 WeakPolarHBondContact SG-CB 3.41Å; C505-C520 CovalentContact SG-SG 2.04Å; C505-C520 PolarHBondContact SG-SG 3.28Å; V518-C520 PolarHBondContact O-N 2.83Å
521	V	87.8	Confident	87.8	Confident	33 Å²	33	62.1 Å²	62.1	20%	0.2	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.1	148.4	174	-64.8	0	0	0	0	111	Q525 I527 P528	V521-Q525 HydrophobicContact CB-CB 4.3Å; V521-I527 HydrophobicContact CG2-CB 4.44Å; V521-I527 HydrophobicContact CG2-CG1 3.57Å; V521-P528 HydrophobicContact CG1-CG 4.18Å
522	K	80.7	Confident	88.7	Confident	97 Å²	97	58.1 Å²	58.1	42%	0.422	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.8	153.6	-179.8	-68.5	-169.3	171.8	-163.4	0	111.1	D434 G524 Q525	D434-K522 IonicContact OD2-NZ 2.77Å; D434-K522 PolarHBondContact OD2-NZ 2.93Å; K522-G524 PolarHBondContact O-N 2.71Å; K522-Q525 HydrophobicContact CB-CG 4.39Å; K522-Q525 WeakPolarHBondContact O-CB 3.33Å; K522-Q525 PolarHBondContact O-N 3.22Å
523	R	77.3	Confident	89.8	Confident	157 Å²	157	55.1 Å²	55.1	59%	0.592	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	126.9	175.7	-172.1	178.3	179.2	-165.4	-3	110.8	D429	D429-R523 IonicContact OD1-CZ 2.76Å; D429-R523 IonicContact OD1-NH1 3.84Å; D429-R523 PolarHBondContact OD1-NH1 3.24Å; D429-R523 IonicContact OD1-NH2 2.85Å; D429-R523 PolarHBondContact OD1-NH2 2.71Å
524	G	76.3	Confident	90.4	Very high	86 Å²	86	56.5 Å²	56.5	89%	0.887	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-3.1	179.5	0	0	0	0	0	115.4	K522	K522-G524 PolarHBondContact O-N 2.71Å
525	Q	84.4	Confident	90.6	Very high	118 Å²	118	57 Å²	57	55%	0.551	31%	0.313	S	S	*	.	S	Bend	trans	-86.9	152.2	169.7	-63.1	-177.6	-25.3	0	0	110.9	V521 K522	V521-Q525 HydrophobicContact CB-CB 4.3Å; K522-Q525 HydrophobicContact CB-CG 4.39Å; K522-Q525 WeakPolarHBondContact O-CB 3.33Å; K522-Q525 PolarHBondContact O-N 3.22Å
526	A	88.1	Confident	90.7	Very high	95 Å²	95	61.6 Å²	61.6	79%	0.785	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-72.5	129.8	177.3	0	0	0	0	0	110.5	P528	A526-P528 WeakPolarHBondContact O-CD 3.5Å
527	I	90.1	Very high	90.7	Very high	28 Å²	28	71 Å²	71	14%	0.144	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-74.9	125	179.8	-67.3	160.2	0	0	0	110.2	D492 E494 V521 H531 K532	D492-I527 HydrophobicContact CB-CD1 3.11Å; E494-I527 HydrophobicContact CG-CD1 4.34Å; E494-I527 HydrophobicContact CG-CG2 3.8Å; E494-I527 WeakPolarHBondContact OE2-CD1 3.32Å; V521-I527 HydrophobicContact CG2-CB 4.44Å; V521-I527 HydrophobicContact CG2-CG1 3.57Å; I527-H531 HydrophobicContact CG2-CB 3.83Å; I527-K532 HydrophobicContact CG2-CG 3.97Å; I527-K532 WeakPolarHBondContact O-CE 3.46Å
528	P	92.2	Very high	90.7	Very high	45 Å²	45	74.1 Å²	74.1	29%	0.292	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-57.4	152.5	175.7	-26.3	36.5	0	0	0	113	V521 A526 D530 H531	V521-P528 HydrophobicContact CG1-CG 4.18Å; A526-P528 WeakPolarHBondContact O-CD 3.5Å; P528-D530 VanDerWaalsContact C-N 3.31Å; P528-D530 WeakPolarHBondContact CB-OD1 3.43Å; P528-D530 PolarHBondContact O-N 2.66Å; P528-H531 PolarHBondContact O-N 2.92Å
529	M	91.6	Very high	90.9	Very high	101 Å²	101	72.5 Å²	72.5	50%	0.498	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-72.4	-24.9	-175.9	-70.8	-66.5	-76.9	0	0	113.5	H531 K532 V544 Q545	M529-H531 VanDerWaalsContact C-N 3.28Å; M529-K532 PolarHBondContact O-N 2.88Å; M529-K532 HydrophobicContact SD-CD 4.02Å; M529-V544 HydrophobicContact CE-CG1 3.5Å; M529-Q545 HydrophobicContact CB-CB 4.37Å
530	D	91.8	Very high	91.2	Very high	61 Å²	61	67.9 Å²	67.9	33%	0.326	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-77	-10.8	173.8	53.4	-22.8	0	0	0	113.6	P508 P528 H543 Q545	P508-D530 WeakPolarHBondContact CD-O 3.35Å; P528-D530 VanDerWaalsContact C-N 3.31Å; P528-D530 WeakPolarHBondContact CB-OD1 3.43Å; P528-D530 PolarHBondContact O-N 2.66Å; D530-H543 WeakPolarHBondContact CA-NE2 3.42Å; D530-H543 PolarHBondContact O-NE2 2.81Å; D530-Q545 VanDerWaalsContact CB-OE1 3.3Å
531	H	94.2	Very high	91.5	Very high	15 Å²	15	67.4 Å²	67.4	7%	0.069	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-88.2	-11.9	170.5	-71	-141.3	0	0	0	112.2	E494 V507 I527 P528 M529 F533	E494-H531 HydrophobicContact CG-CB 4.25Å; E494-H531 IonicContact OE1-ND1 3.27Å; E494-H531 PolarHBondContact OE1-ND1 2.76Å; V507-H531 HydrophobicContact CG1-CB 4.45Å; V507-H531 WeakPolarHBondContact CG1-CD2 3.38Å; I527-H531 HydrophobicContact CG2-CB 3.83Å; P528-H531 PolarHBondContact O-N 2.92Å; M529-H531 VanDerWaalsContact C-N 3.28Å; H531-F533 WeakPolarHBondContact O-CD2 3.23Å
532	K	95.9	Very high	92	Very high	62 Å²	62	66.7 Å²	66.7	27%	0.27	35%	0.346	S	S	.	.			trans	-93.2	126.5	-168	-68.9	-176.5	-176.2	-179.8	0	113.1	I527 M529 H543 V544	I527-K532 HydrophobicContact CG2-CG 3.97Å; I527-K532 WeakPolarHBondContact O-CE 3.46Å; M529-K532 PolarHBondContact O-N 2.88Å; M529-K532 HydrophobicContact SD-CD 4.02Å; K532-H543 PolarHBondContact O-CD2 3.27Å; K532-H543 VanDerWaalsContact O-CD2 3.29Å; K532-V544 HydrophobicContact CB-CB 4.03Å; K532-V544 HydrophobicContact CB-CG2 3.8Å; K532-V544 WeakPolarHBondContact O-CG2 3.24Å; K532-V544 PolarHBondContact O-N 3.49Å
533	F	97.3	Very high	92.7	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.009	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.7	171.2	-60.4	-94.8	0	0	0	110.2	Y489 G493 I495 V506 L515 H531 F542 H543 I550	Y489-F533 HydrophobicContact CE2-CB 4.35Å; Y489-F533 WeakPolarHBondContact CE2-O 3.3Å; Y489-F533 PolarHBondContact OH-O 2.8Å; G493-F533 WeakPolarHBondContact CA-O 3.45Å; G493-F533 WeakPolarHBondContact O-CA 3.25Å; G493-F533 PolarHBondContact O-N 3.07Å; G493-F533 VanDerWaalsContact O-O 3.11Å; I495-F533 HydrophobicContact CD1-CB 4.38Å; I495-F533 HydrophobicContact CD1-CD1 4.22Å; I495-F533 HydrophobicContact CD1-CD2 4.03Å; I495-F533 HydrophobicContact CD1-CE2 4.41Å; I495-F533 HydrophobicContact CD1-CG 3.94Å; I495-F533 HydrophobicContact CG1-CD2 4.11Å; I495-F533 HydrophobicContact CG1-CG 4.31Å; V506-F533 WeakPolarHBondContact O-CE2 3.46Å; L515-F533 HydrophobicContact CD2-CZ 4.47Å; H531-F533 WeakPolarHBondContact O-CD2 3.23Å; F533-F542 CarbonylContact C-O 3.46Å; F533-F542 VanDerWaalsContact CA-O 3.27Å; F533-F542 WeakPolarHBondContact CA-O 3.37Å; F533-H543 HydrophobicContact CD1-CB 3.87Å; F533-H543 AromaticContact CD1-CD2 3.96Å; F533-H543 HydrophobicContact CE1-CB 3.7Å; F533-H543 AromaticContact CE1-CD2 3.52Å; F533-H543 AromaticContact CE1-CG 3.88Å; F533-H543 AromaticContact CE2-CD2 3.98Å; F533-H543 AromaticContact CZ-CD2 3.53Å; F533-I550 HydrophobicContact CD1-CD1 3.91Å; F533-I550 HydrophobicContact CD1-CG1 4.45Å; F533-I550 HydrophobicContact CE1-CD1 3.72Å; F533-I550 HydrophobicContact CE1-CG1 4.17Å
534	I	97.8	Very high	93.6	Very high	80 Å²	80	55.9 Å²	55.9	41%	0.41	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.7	168.9	-59.6	175.4	0	0	0	107.3	R536 F542 V544	I534-R536 HydrophobicContact CG2-CG 4.03Å; I534-R536 PolarHBondContact O-N 3.31Å; I534-F542 HydrophobicContact CB-CB 4.32Å; I534-F542 HydrophobicContact CB-CD1 4.2Å; I534-F542 HydrophobicContact CD1-CD1 3.95Å; I534-F542 HydrophobicContact CD1-CE1 4.3Å; I534-F542 HydrophobicContact CG1-CD1 4.26Å; I534-F542 PolarHBondContact N-O 2.92Å; I534-F542 PolarHBondContact O-N 3.24Å; I534-V544 HydrophobicContact CD1-CG2 4.03Å; I534-V544 HydrophobicContact CG1-CG2 3.8Å
535	F	97.3	Very high	94.5	Very high	41 Å²	41	57.3 Å²	57.3	18%	0.18	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	103.3	171.5	-162.1	-179.2	0	0	0	109.9	M444 Y489 L541 W576 F578	M444-F535 HydrophobicContact CE-CD1 4.5Å; M444-F535 HydrophobicContact SD-CD1 3.8Å; M444-F535 HydrophobicContact SD-CE1 4.06Å; Y489-F535 HydrophobicContact CD1-CB 4Å; Y489-F535 HydrophobicContact CD1-CD1 4.05Å; Y489-F535 HydrophobicContact CE1-CB 3.53Å; Y489-F535 HydrophobicContact CE1-CD1 4.42Å; Y489-F535 HydrophobicContact CE2-CB 4.13Å; Y489-F535 HydrophobicContact CG-CB 4.48Å; Y489-F535 HydrophobicContact CG-CD1 4.31Å; Y489-F535 PolarHBondContact OH-N 3.4Å; Y489-F535 VanDerWaalsContact OH-N 3.08Å; F535-L541 HydrophobicContact CB-CD2 3.74Å; F535-L541 HydrophobicContact CD1-CD2 4.13Å; F535-L541 HydrophobicContact CD2-CD2 3.62Å; F535-L541 HydrophobicContact CD2-CG 4.02Å; F535-L541 HydrophobicContact CE2-CD2 4.17Å; F535-L541 HydrophobicContact CE2-CG 4.22Å; F535-L541 HydrophobicContact CG-CD2 3.58Å; F535-L541 HydrophobicContact CG-CG 4.46Å; F535-W576 WeakPolarHBondContact CZ-O 3.47Å; F535-F578 HydrophobicContact CD1-CE2 4.14Å; F535-F578 AromaticContact CE1-CD2 3.7Å; F535-F578 HydrophobicContact CE1-CD2 3.7Å; F535-F578 AromaticContact CE1-CE2 3.66Å; F535-F578 HydrophobicContact CE1-CE2 3.66Å
536	R	96.8	Very high	95	Very high	97 Å²	97	54.2 Å²	54.2	37%	0.366	28%	0.278	S	S	.	.			trans	-80.9	155.9	-176.2	-62.8	-174.2	-173.9	162	-3.3	111.2	I534 D538 G539 S540 F542	I534-R536 HydrophobicContact CG2-CG 4.03Å; I534-R536 PolarHBondContact O-N 3.31Å; R536-D538 WeakPolarHBondContact CB-OD1 3.37Å; R536-D538 PolarHBondContact O-N 2.85Å; R536-D538 VanDerWaalsContact O-N 3.12Å; R536-G539 PolarHBondContact O-N 3.23Å; R536-S540 WeakPolarHBondContact CB-OG 3.48Å; R536-S540 WeakPolarHBondContact CD-OG 3.5Å; R536-S540 PolarHBondContact N-O 2.04Å; R536-F542 VanDerWaalsContact NH2-CG 3.32Å
537	K	94.5	Very high	95.4	Very high	224 Å²	224	55.6 Å²	55.6	97%	0.974	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.2	-178.6	-68.1	-174.6	177.7	-178.6	0	114.2	G539	K537-G539 PolarHBondContact O-N 2.95Å
538	D	95.1	Very high	95.7	Very high	67 Å²	67	58 Å²	58	36%	0.358	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.2	177.3	69.6	-19.3	0	0	0	113.1	R536 S540 K575	R536-D538 WeakPolarHBondContact CB-OD1 3.37Å; R536-D538 PolarHBondContact O-N 2.85Å; R536-D538 VanDerWaalsContact O-N 3.12Å; D538-S540 WeakPolarHBondContact OD1-CB 3.36Å; D538-S540 PolarHBondContact OD1-N 3.14Å; D538-S540 PolarHBondContact OD1-OG 3.32Å; D538-S540 PolarHBondContact OD2-OG 3.44Å; D538-K575 WeakPolarHBondContact O-CD 3.43Å; D538-K575 IonicContact OD2-NZ 3.53Å; D538-K575 PolarHBondContact OD2-NZ 3.17Å
539	G	96.4	Very high	96	Very high	4 Å²	4	55.9 Å²	55.9	4%	0.041	26%	0.264	C	S	.	.	S	Bend	trans	94.1	-0.6	-176.5	0	0	0	0	0	113.7	R536 K537 K575 W576	R536-G539 PolarHBondContact O-N 3.23Å; K537-G539 PolarHBondContact O-N 2.95Å; G539-K575 CarbonylContact O-C 3.56Å; G539-K575 WeakPolarHBondContact O-CA 3.44Å; G539-W576 WeakPolarHBondContact CA-O 3.45Å; G539-W576 PolarHBondContact O-N 3.47Å
540	S	97.7	Very high	96.3	Very high	3 Å²	3	51 Å²	51	2%	0.021	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-76.9	134.1	178.3	61.3	0	0	0	0	112.1	R536 D538 Q574	R536-S540 WeakPolarHBondContact CB-OG 3.48Å; R536-S540 WeakPolarHBondContact CD-OG 3.5Å; R536-S540 PolarHBondContact N-O 2.04Å; D538-S540 WeakPolarHBondContact OD1-CB 3.36Å; D538-S540 PolarHBondContact OD1-N 3.14Å; D538-S540 PolarHBondContact OD1-OG 3.32Å; D538-S540 PolarHBondContact OD2-OG 3.44Å; S540-Q574 WeakPolarHBondContact CA-O 3.03Å
541	L	97.9	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	102.9	173.5	-75.6	167.5	0	0	0	108.9	L448 I495 F535 C549 I550 W576	L448-L541 HydrophobicContact CD1-CD1 4.28Å; L448-L541 HydrophobicContact CD2-CD1 3.96Å; I495-L541 HydrophobicContact CD1-CD1 4.18Å; I495-L541 HydrophobicContact CD1-CD2 4.33Å; F535-L541 HydrophobicContact CB-CD2 3.74Å; F535-L541 HydrophobicContact CD1-CD2 4.13Å; F535-L541 HydrophobicContact CD2-CD2 3.62Å; F535-L541 HydrophobicContact CD2-CG 4.02Å; F535-L541 HydrophobicContact CE2-CD2 4.17Å; F535-L541 HydrophobicContact CE2-CG 4.22Å; F535-L541 HydrophobicContact CG-CD2 3.58Å; F535-L541 HydrophobicContact CG-CG 4.46Å; L541-C549 WeakPolarHBondContact O-CA 3.46Å; L541-I550 HydrophobicContact CB-CB 4.23Å; L541-I550 HydrophobicContact CB-CD1 3.78Å; L541-I550 HydrophobicContact CB-CG1 4.09Å; L541-I550 HydrophobicContact CD1-CD1 4.04Å; L541-I550 PolarHBondContact O-N 3.32Å; L541-W576 HydrophobicContact CD1-CB 3.88Å; L541-W576 HydrophobicContact CD1-CG 3.8Å; L541-W576 HydrophobicContact CG-CB 4.39Å; L541-W576 HydrophobicContact CG-CG 4.44Å
542	F	97.8	Very high	96.7	Very high	17 Å²	17	49.1 Å²	49.1	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.6	-175.7	172.4	-97.5	0	0	0	110.9	F533 I534 R536 Q547	F533-F542 CarbonylContact C-O 3.46Å; F533-F542 VanDerWaalsContact CA-O 3.27Å; F533-F542 WeakPolarHBondContact CA-O 3.37Å; I534-F542 HydrophobicContact CB-CB 4.32Å; I534-F542 HydrophobicContact CB-CD1 4.2Å; I534-F542 HydrophobicContact CD1-CD1 3.95Å; I534-F542 HydrophobicContact CD1-CE1 4.3Å; I534-F542 HydrophobicContact CG1-CD1 4.26Å; I534-F542 PolarHBondContact N-O 2.92Å; I534-F542 PolarHBondContact O-N 3.24Å; R536-F542 VanDerWaalsContact NH2-CG 3.32Å; F542-Q547 VanDerWaalsContact CE2-C 3.5Å; F542-Q547 HydrophobicContact CE2-CB 4.21Å; F542-Q547 HydrophobicContact CZ-CB 4.09Å; F542-Q547 HydrophobicContact CZ-CG 4.37Å
543	H	97.3	Very high	96.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124	177.3	-178	-111.7	0	0	0	111.3	P508 D530 K532 F533 T546 Q547 K548 L565	P508-H543 WeakPolarHBondContact CG-CE1 3.41Å; P508-H543 WeakPolarHBondContact CG-NE2 3.39Å; D530-H543 WeakPolarHBondContact CA-NE2 3.42Å; D530-H543 PolarHBondContact O-NE2 2.81Å; K532-H543 PolarHBondContact O-CD2 3.27Å; K532-H543 VanDerWaalsContact O-CD2 3.29Å; F533-H543 HydrophobicContact CD1-CB 3.87Å; F533-H543 AromaticContact CD1-CD2 3.96Å; F533-H543 HydrophobicContact CE1-CB 3.7Å; F533-H543 AromaticContact CE1-CD2 3.52Å; F533-H543 AromaticContact CE1-CG 3.88Å; F533-H543 AromaticContact CE2-CD2 3.98Å; F533-H543 AromaticContact CZ-CD2 3.53Å; H543-T546 WeakPolarHBondContact ND1-CG2 3.35Å; H543-T546 PolarHBondContact ND1-N 2.88Å; H543-T546 PolarHBondContact ND1-OG1 2.96Å; H543-Q547 WeakPolarHBondContact O-CA 3.13Å; H543-Q547 PolarHBondContact O-N 2.05Å; H543-K548 PolarHBondContact N-O 2.87Å; H543-L565 HydrophobicContact CB-CD2 3.72Å
544	V	95.8	Very high	96.3	Very high	27 Å²	27	49.9 Å²	49.9	16%	0.164	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-46.3	-167	177.4	0	0	0	0	112.1	M529 K532 I534 Q547	M529-V544 HydrophobicContact CE-CG1 3.5Å; K532-V544 HydrophobicContact CB-CB 4.03Å; K532-V544 HydrophobicContact CB-CG2 3.8Å; K532-V544 WeakPolarHBondContact O-CG2 3.24Å; K532-V544 PolarHBondContact O-N 3.49Å; I534-V544 HydrophobicContact CD1-CG2 4.03Å; I534-V544 HydrophobicContact CG1-CG2 3.8Å; V544-Q547 PolarHBondContact O-NE2 3.05Å
545	Q	95.2	Very high	95.7	Very high	115 Å²	115	53.9 Å²	53.9	54%	0.537	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-38.3	-175.2	177.1	167.7	-22.3	0	0	113.4	M529 D530	M529-Q545 HydrophobicContact CB-CB 4.37Å; D530-Q545 VanDerWaalsContact CB-OE1 3.3Å
546	T	94.7	Very high	95.1	Very high	53 Å²	53	52.6 Å²	52.6	33%	0.325	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-11	-177.1	63.4	0	0	0	0	113.5	H543 K548 L565	H543-T546 WeakPolarHBondContact ND1-CG2 3.35Å; H543-T546 PolarHBondContact ND1-N 2.88Å; H543-T546 PolarHBondContact ND1-OG1 2.96Å; T546-K548 PolarHBondContact O-N 3.44Å; T546-L565 HydrophobicContact CG2-CD1 4.08Å
547	Q	95.8	Very high	94.4	Very high	125 Å²	125	53.2 Å²	53.2	58%	0.584	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	29.9	-175.9	-55	-77.7	-59.9	0	0	113	F542 H543 V544	F542-Q547 VanDerWaalsContact CE2-C 3.5Å; F542-Q547 HydrophobicContact CE2-CB 4.21Å; F542-Q547 HydrophobicContact CZ-CB 4.09Å; F542-Q547 HydrophobicContact CZ-CG 4.37Å; H543-Q547 WeakPolarHBondContact O-CA 3.13Å; H543-Q547 PolarHBondContact O-N 2.05Å; V544-Q547 PolarHBondContact O-NE2 3.05Å
548	K	96.9	Very high	93.8	Very high	77 Å²	77	47.1 Å²	47.1	34%	0.335	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	161.9	-179.2	-73.2	177.4	-175.5	177.3	0	111.1	H543 T546 L565 K566 C568	H543-K548 PolarHBondContact N-O 2.87Å; T546-K548 PolarHBondContact O-N 3.44Å; K548-L565 HydrophobicContact CB-CB 3.98Å; K548-L565 HydrophobicContact CB-CD2 4.22Å; K548-L565 HydrophobicContact CD-CB 3.99Å; K548-K566 VanDerWaalsContact CB-O 3.29Å; K548-K566 WeakPolarHBondContact CB-O 3.26Å; K548-C568 VanDerWaalsContact C-SG 3.58Å
549	C	98	Very high	93.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	148.2	176.9	-70.6	0	0	0	0	110.4	L541 E551 L565 K566 C568	L541-C549 WeakPolarHBondContact O-CA 3.46Å; C549-E551 PolarHBondContact O-N 3.35Å; C549-L565 WeakPolarHBondContact O-CA 3.3Å; C549-K566 PolarHBondContact N-O 3.11Å; C549-K566 PolarHBondContact O-N 3.28Å; C549-C568 HydrophobicContact CB-CB 3.98Å; C549-C568 WeakPolarHBondContact CB-SG 3.37Å; C549-C568 PolarHBondContact N-SG 2.89Å; C549-C568 WeakPolarHBondContact SG-CB 3.47Å; C549-C568 CovalentContact SG-SG 2.05Å; C549-C568 PolarHBondContact SG-SG 2.81Å
550	I	97.9	Very high	92.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.4	174.2	-56.9	175.9	0	0	0	109.4	F458 I495 L515 F533 L541 P563 L565 Q574 W576	F458-I550 HydrophobicContact CE1-CG2 4.43Å; F458-I550 HydrophobicContact CZ-CD1 4.13Å; F458-I550 HydrophobicContact CZ-CG2 4.05Å; I495-I550 HydrophobicContact CD1-CD1 4.07Å; L515-I550 HydrophobicContact CD1-CD1 3.72Å; L515-I550 HydrophobicContact CD1-CG1 4.15Å; L515-I550 HydrophobicContact CD1-CG2 4.2Å; F533-I550 HydrophobicContact CD1-CD1 3.91Å; F533-I550 HydrophobicContact CD1-CG1 4.45Å; F533-I550 HydrophobicContact CE1-CD1 3.72Å; F533-I550 HydrophobicContact CE1-CG1 4.17Å; L541-I550 HydrophobicContact CB-CB 4.23Å; L541-I550 HydrophobicContact CB-CD1 3.78Å; L541-I550 HydrophobicContact CB-CG1 4.09Å; L541-I550 HydrophobicContact CD1-CD1 4.04Å; L541-I550 PolarHBondContact O-N 3.32Å; I550-P563 HydrophobicContact CG2-CB 3.56Å; I550-L565 HydrophobicContact CG1-CD2 4.1Å; I550-Q574 WeakPolarHBondContact O-CA 3.42Å; I550-W576 HydrophobicContact CG2-CZ2 3.82Å; I550-W576 PolarHBondContact O-NE1 2.92Å
551	E	97.6	Very high	92.7	Very high	36 Å²	36	49.6 Å²	49.6	17%	0.168	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.9	176.6	-169.9	175.1	125.5	0	0	111.3	C549 V553 P563 A564 K566 I571 R573 Q574	C549-E551 PolarHBondContact O-N 3.35Å; E551-V553 PolarHBondContact O-N 3.42Å; E551-P563 WeakPolarHBondContact O-CA 3.39Å; E551-A564 PolarHBondContact N-O 2.88Å; E551-A564 PolarHBondContact O-N 3.2Å; E551-K566 HydrophobicContact CB-CB 4.04Å; E551-K566 HydrophobicContact CB-CG 3.78Å; E551-K566 HydrophobicContact CG-CG 4.42Å; E551-K566 WeakPolarHBondContact OE2-CB 3.49Å; E551-I571 HydrophobicContact CG-CD1 4.31Å; E551-R573 WeakPolarHBondContact CA-O 3.48Å; E551-R573 HydrophobicContact CG-CB 3.97Å; E551-Q574 HydrophobicContact CB-CG 3.7Å; E551-Q574 HydrophobicContact CG-CG 3.77Å; E551-Q574 PolarHBondContact OE2-NE2 3.48Å
552	A	97.3	Very high	92.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.7	170.1	0	0	0	0	0	111.3	K453 L475 R573 W576	K453-A552 HydrophobicContact CB-CB 4.13Å; L475-A552 HydrophobicContact CD1-CB 3.56Å; A552-R573 HydrophobicContact CB-CB 4.38Å; A552-R573 PolarHBondContact N-O 3.49Å; A552-R573 PolarHBondContact O-NH1 3.43Å; A552-W576 HydrophobicContact CB-CH2 3.82Å; A552-W576 HydrophobicContact CB-CZ2 3.99Å
553	V	94.8	Very high	92.6	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.7	176.7	-61	0	0	0	0	111.3	Y514 E551 T556 P561 A562 A564	Y514-V553 HydrophobicContact CE1-CG2 4.44Å; E551-V553 PolarHBondContact O-N 3.42Å; V553-T556 HydrophobicContact CG2-CG2 4.24Å; V553-P561 WeakPolarHBondContact O-CA 3.37Å; V553-A562 HydrophobicContact CG2-CB 4.42Å; V553-A562 WeakPolarHBondContact CG2-O 3.28Å; V553-A562 PolarHBondContact N-O 2.92Å; V553-A562 PolarHBondContact O-N 3.17Å; V553-A562 VanDerWaalsContact O-N 3.15Å; V553-A564 HydrophobicContact CG1-CB 4.05Å; V553-A564 HydrophobicContact CG2-CB 4.02Å
554	D	90.8	Very high	92.5	Very high	62 Å²	62	48.7 Å²	48.7	33%	0.332	26%	0.262	S	S	.	.	S	Bend	trans	-82.9	-32.9	-176	-72.4	-42.3	0	0	0	113.6	K453 R573	K453-D554 IonicContact NZ-OD1 3.93Å; K453-D554 PolarHBondContact NZ-OD1 2.89Å; D554-R573 VanDerWaalsContact CG-NH1 3.34Å; D554-R573 IonicContact OD1-NH1 2.65Å; D554-R573 IonicContact OD1-NH2 2.74Å; D554-R573 IonicContact OD2-CZ 2.74Å; D554-R573 IonicContact OD2-NH1 3.75Å; D554-R573 PolarHBondContact OD2-NH1 3.04Å; D554-R573 IonicContact OD2-NH2 3.09Å; D554-R573 PolarHBondContact OD2-NH2 3.36Å
555	Q	83.8	Confident	92.5	Very high	164 Å²	164	47.7 Å²	47.7	77%	0.766	26%	0.255	S	S	*	.			trans	-136.3	119	-179.4	-72	-178.2	-11.3	0	0	109.4
556	T	84.4	Confident	92.5	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.086	25%	0.245	C	C	.	.			trans	-87.5	-176.7	165.2	54.4	0	0	0	0	110.4	Y514 V553 D558 G559 T560 A562	Y514-T556 HydrophobicContact CD1-CG2 4.23Å; Y514-T556 HydrophobicContact CE1-CG2 3.59Å; Y514-T556 WeakPolarHBondContact OH-CA 3.21Å; V553-T556 HydrophobicContact CG2-CG2 4.24Å; T556-D558 PolarHBondContact O-N 2.75Å; T556-D558 PolarHBondContact OG1-N 2.86Å; T556-D558 PolarHBondContact OG1-OD1 2.88Å; T556-G559 PolarHBondContact O-N 2.94Å; T556-G559 VanDerWaalsContact O-N 3.13Å; T556-G559 PolarHBondContact OG1-N 3.11Å; T556-T560 WeakPolarHBondContact CB-O 3.13Å; T556-T560 WeakPolarHBondContact CG2-O 3.04Å; T556-T560 PolarHBondContact N-O 2.98Å; T556-T560 PolarHBondContact OG1-N 2.85Å; T556-T560 PolarHBondContact OG1-O 2.99Å; T556-T560 PolarHBondContact OG1-OG1 3.44Å; T556-A562 HydrophobicContact CG2-CB 3.48Å; T556-A562 VanDerWaalsContact CG2-CB 3.48Å
557	D	82.8	Confident	92.6	Very high	111 Å²	111	48 Å²	48	59%	0.594	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.2	169.6	53.2	-41.4	0	0	0	114.4	R472 Y514	R472-D557 IonicContact CZ-OD1 3.71Å; R472-D557 VanDerWaalsContact CZ-OD1 3.29Å; R472-D557 IonicContact NH1-OD1 3.58Å; R472-D557 PolarHBondContact NH1-OD1 3.48Å; R472-D557 IonicContact NH2-OD1 2.69Å; R472-D557 PolarHBondContact NH2-OD1 3.12Å; R472-D557 IonicContact NH2-OD2 3.7Å; R472-D557 PolarHBondContact NH2-OD2 3.07Å; R472-D557 VanDerWaalsContact NH2-OD2 3.17Å; Y514-D557 VanDerWaalsContact CE2-OD1 3.23Å; Y514-D557 WeakPolarHBondContact CE2-OD1 3.47Å; Y514-D557 PolarHBondContact OH-N 2.82Å; Y514-D557 PolarHBondContact OH-OD1 3Å
558	D	81.9	Confident	92.7	Very high	96 Å²	96	44.6 Å²	44.6	51%	0.513	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.6	176.5	64.6	9.7	0	0	0	113.5	R472 T556 T560	R472-D558 IonicContact NH1-OD1 2.71Å; R472-D558 IonicContact NH1-OD2 3.84Å; T556-D558 PolarHBondContact O-N 2.75Å; T556-D558 PolarHBondContact OG1-N 2.86Å; T556-D558 PolarHBondContact OG1-OD1 2.88Å; D558-T560 VanDerWaalsContact C-N 3.28Å; D558-T560 PolarHBondContact O-N 3.27Å; D558-T560 WeakPolarHBondContact OD1-CB 3.15Å; D558-T560 PolarHBondContact OD1-N 3.15Å; D558-T560 PolarHBondContact OD1-OG1 3.32Å
559	G	83.6	Confident	92.7	Very high	50 Å²	50	43.5 Å²	43.5	52%	0.515	25%	0.252	S	S	.	.	S	Bend	trans	77.1	5.4	178	0	0	0	0	0	115.2	T556	T556-G559 PolarHBondContact O-N 2.94Å; T556-G559 VanDerWaalsContact O-N 3.13Å; T556-G559 PolarHBondContact OG1-N 3.11Å
560	T	89.1	Confident	92.6	Very high	46 Å²	46	50 Å²	50	28%	0.282	29%	0.287	S	S	.	.			trans	-91.1	144.6	177.7	66.2	0	0	0	0	112.1	T556 D558	T556-T560 WeakPolarHBondContact CB-O 3.13Å; T556-T560 WeakPolarHBondContact CG2-O 3.04Å; T556-T560 PolarHBondContact N-O 2.98Å; T556-T560 PolarHBondContact OG1-N 2.85Å; T556-T560 PolarHBondContact OG1-O 2.99Å; T556-T560 PolarHBondContact OG1-OG1 3.44Å; D558-T560 VanDerWaalsContact C-N 3.28Å; D558-T560 PolarHBondContact O-N 3.27Å; D558-T560 WeakPolarHBondContact OD1-CB 3.15Å; D558-T560 PolarHBondContact OD1-N 3.15Å; D558-T560 PolarHBondContact OD1-OG1 3.32Å
561	P	94.3	Very high	92.6	Very high	29 Å²	29	53.1 Å²	53.1	19%	0.188	30%	0.303	C	S	.	.			trans	-68.7	139.6	170.4	-20.9	33.7	0	0	0	111	Y456 L475 V553	Y456-P561 HydrophobicContact CE1-CB 4.48Å; Y456-P561 HydrophobicContact CE1-CG 4.29Å; L475-P561 HydrophobicContact CB-CB 4.03Å; L475-P561 PolarHBondContact N-O 3.01Å; V553-P561 WeakPolarHBondContact O-CA 3.37Å
562	A	95.3	Very high	92.5	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.1	-178.7	0	0	0	0	0	113.2	Y514 V553 T556	Y514-A562 HydrophobicContact CD1-CB 4.48Å; V553-A562 HydrophobicContact CG2-CB 4.42Å; V553-A562 WeakPolarHBondContact CG2-O 3.28Å; V553-A562 PolarHBondContact N-O 2.92Å; V553-A562 PolarHBondContact O-N 3.17Å; V553-A562 VanDerWaalsContact O-N 3.15Å; T556-A562 HydrophobicContact CG2-CB 3.48Å; T556-A562 VanDerWaalsContact CG2-CB 3.48Å
563	P	96.6	Very high	92.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.2	160.3	31.3	-33.6	0	0	0	110.7	F458 V473 L515 I550 E551	F458-P563 HydrophobicContact CD1-CG 4.5Å; F458-P563 HydrophobicContact CE1-CB 3.76Å; F458-P563 HydrophobicContact CE1-CG 4.15Å; F458-P563 HydrophobicContact CE2-CB 4.38Å; F458-P563 HydrophobicContact CE2-CG 4.23Å; F458-P563 HydrophobicContact CZ-CB 3.7Å; F458-P563 HydrophobicContact CZ-CG 4.02Å; V473-P563 HydrophobicContact CB-CG 4.17Å; V473-P563 HydrophobicContact CG1-CG 3.9Å; V473-P563 VanDerWaalsContact O-CD 3.26Å; V473-P563 WeakPolarHBondContact O-CD 3.29Å; L515-P563 HydrophobicContact CD1-CB 3.85Å; L515-P563 HydrophobicContact CD1-CG 3.96Å; L515-P563 HydrophobicContact CG-CG 4.45Å; I550-P563 HydrophobicContact CG2-CB 3.56Å; E551-P563 WeakPolarHBondContact O-CA 3.39Å
564	A	95.6	Very high	92.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.3	177.2	0	0	0	0	0	111.9	T513 Y514 E551 V553 K566	T513-A564 CarbonylContact O-C 3.48Å; T513-A564 VanDerWaalsContact O-CA 3.3Å; T513-A564 WeakPolarHBondContact O-CA 3.49Å; Y514-A564 HydrophobicContact CD1-CB 3.79Å; Y514-A564 HydrophobicContact CE1-CB 4.01Å; E551-A564 PolarHBondContact N-O 2.88Å; E551-A564 PolarHBondContact O-N 3.2Å; V553-A564 HydrophobicContact CG1-CB 4.05Å; V553-A564 HydrophobicContact CG2-CB 4.02Å; A564-K566 PolarHBondContact O-N 2.93Å
565	L	96.4	Very high	93	Very high	5 Å²	5	58 Å²	58	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.4	174.3	-68.8	179.1	0	0	0	111.5	P508 T513 L515 H543 T546 K548 C549 I550	P508-L565 HydrophobicContact CB-CD1 3.68Å; P508-L565 HydrophobicContact CG-CD1 3.75Å; T513-L565 PolarHBondContact O-N 3.36Å; L515-L565 HydrophobicContact CD2-CD2 4.5Å; L515-L565 HydrophobicContact CD2-CG 4.22Å; H543-L565 HydrophobicContact CB-CD2 3.72Å; T546-L565 HydrophobicContact CG2-CD1 4.08Å; K548-L565 HydrophobicContact CB-CB 3.98Å; K548-L565 HydrophobicContact CB-CD2 4.22Å; K548-L565 HydrophobicContact CD-CB 3.99Å; C549-L565 WeakPolarHBondContact O-CA 3.3Å; I550-L565 HydrophobicContact CG1-CD2 4.1Å
566	K	95.9	Very high	93.7	Very high	75 Å²	75	50.2 Å²	50.2	33%	0.326	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.4	176.8	-64	-64	-175.6	179.9	0	110.9	K548 C549 E551 A564 C568	K548-K566 VanDerWaalsContact CB-O 3.29Å; K548-K566 WeakPolarHBondContact CB-O 3.26Å; C549-K566 PolarHBondContact N-O 3.11Å; C549-K566 PolarHBondContact O-N 3.28Å; E551-K566 HydrophobicContact CB-CB 4.04Å; E551-K566 HydrophobicContact CB-CG 3.78Å; E551-K566 HydrophobicContact CG-CG 4.42Å; E551-K566 WeakPolarHBondContact OE2-CB 3.49Å; A564-K566 PolarHBondContact O-N 2.93Å; K566-C568 PolarHBondContact O-N 3.35Å
567	P	96.9	Very high	94.3	Very high	99 Å²	99	52.6 Å²	52.6	64%	0.643	30%	0.295	S	S	*	.			trans	-51.1	134.5	169.3	-25.5	35.3	0	0	0	110.6	S569 Q574	P567-S569 PolarHBondContact O-N 3.35Å; P567-Q574 PolarHBondContact O-NE2 3.43Å
568	C	97.4	Very high	95	Very high	54 Å²	54	48.2 Å²	48.2	37%	0.365	27%	0.27	S	S	.	.			trans	-64.4	128.4	-177.9	-67.6	0	0	0	0	111.1	K548 C549 K566	K548-C568 VanDerWaalsContact C-SG 3.58Å; C549-C568 HydrophobicContact CB-CB 3.98Å; C549-C568 WeakPolarHBondContact CB-SG 3.37Å; C549-C568 PolarHBondContact N-SG 2.89Å; C549-C568 WeakPolarHBondContact SG-CB 3.47Å; C549-C568 CovalentContact SG-SG 2.05Å; C549-C568 PolarHBondContact SG-SG 2.81Å; K566-C568 PolarHBondContact O-N 3.35Å
569	S	96.6	Very high	95.6	Very high	54 Å²	54	47 Å²	47	38%	0.378	26%	0.262	S	S	.	.			trans	-144.4	162.6	177.4	64.9	0	0	0	0	110.3	P567 I571 Q574	P567-S569 PolarHBondContact O-N 3.35Å; S569-I571 VanDerWaalsContact C-N 3.28Å; S569-I571 PolarHBondContact O-N 2.91Å; S569-I571 VanDerWaalsContact O-N 3.12Å; S569-I571 WeakPolarHBondContact OG-CG1 3.49Å; S569-Q574 PolarHBondContact O-OE1 2.72Å; S569-Q574 VanDerWaalsContact O-OE1 3.11Å; S569-Q574 PolarHBondContact OG-NE2 2.5Å
570	D	95.6	Very high	95.7	Very high	137 Å²	137	48.3 Å²	48.3	73%	0.733	25%	0.254	S	S	*	.	S	Bend	trans	-90	61.1	-178.8	-163	31.8	0	0	0	112.1	K575	D570-K575 WeakPolarHBondContact OD1-CE 3.28Å; D570-K575 IonicContact OD1-NZ 3.51Å; D570-K575 PolarHBondContact OD1-NZ 2.95Å
571	I	97.2	Very high	94.9	Very high	67 Å²	67	51.8 Å²	51.8	34%	0.344	27%	0.265	S	S	.	.			trans	-114	148.1	177.7	63.8	176.3	0	0	0	111.1	E551 S569 R573 Q574	E551-I571 HydrophobicContact CG-CD1 4.31Å; S569-I571 VanDerWaalsContact C-N 3.28Å; S569-I571 PolarHBondContact O-N 2.91Å; S569-I571 VanDerWaalsContact O-N 3.12Å; S569-I571 WeakPolarHBondContact OG-CG1 3.49Å; I571-R573 HydrophobicContact CD1-CB 4.25Å; I571-R573 HydrophobicContact CG1-CB 4.45Å; I571-R573 PolarHBondContact O-N 3.15Å; I571-R573 VanDerWaalsContact O-N 3.15Å; I571-Q574 HydrophobicContact CD1-CG 4.11Å; I571-Q574 HydrophobicContact CG1-CB 4.13Å; I571-Q574 HydrophobicContact CG1-CG 3.78Å; I571-Q574 PolarHBondContact O-N 2.8Å
572	L	96.9	Very high	92.9	Very high	116 Å²	116	59.4 Å²	59.4	61%	0.607	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-59.5	-29.5	-178.7	-67.5	176.8	0	0	0	113.2	G452 Q574 K575	G452-L572 WeakPolarHBondContact CA-O 3.08Å; G452-L572 PolarHBondContact N-O 2.98Å; L572-Q574 PolarHBondContact O-N 3.37Å; L572-K575 PolarHBondContact O-N 2.65Å
573	R	96.9	Very high	92.7	Very high	88 Å²	88	62.4 Å²	62.4	33%	0.332	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-67.7	-16.6	177.7	-69	-178.4	173.4	-137.4	2.6	113.7	E551 A552 D554 I571	E551-R573 WeakPolarHBondContact CA-O 3.48Å; E551-R573 HydrophobicContact CG-CB 3.97Å; A552-R573 HydrophobicContact CB-CB 4.38Å; A552-R573 PolarHBondContact N-O 3.49Å; A552-R573 PolarHBondContact O-NH1 3.43Å; D554-R573 VanDerWaalsContact CG-NH1 3.34Å; D554-R573 IonicContact OD1-NH1 2.65Å; D554-R573 IonicContact OD1-NH2 2.74Å; D554-R573 IonicContact OD2-CZ 2.74Å; D554-R573 IonicContact OD2-NH1 3.75Å; D554-R573 PolarHBondContact OD2-NH1 3.04Å; D554-R573 IonicContact OD2-NH2 3.09Å; D554-R573 PolarHBondContact OD2-NH2 3.36Å; I571-R573 HydrophobicContact CD1-CB 4.25Å; I571-R573 HydrophobicContact CG1-CB 4.45Å; I571-R573 PolarHBondContact O-N 3.15Å; I571-R573 VanDerWaalsContact O-N 3.15Å
574	Q	98	Very high	92.5	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-98.3	4.3	173.3	-68.7	-170.6	8.4	0	0	113.2	S540 I550 E551 P567 S569 I571 L572	S540-Q574 WeakPolarHBondContact CA-O 3.03Å; I550-Q574 WeakPolarHBondContact O-CA 3.42Å; E551-Q574 HydrophobicContact CB-CG 3.7Å; E551-Q574 HydrophobicContact CG-CG 3.77Å; E551-Q574 PolarHBondContact OE2-NE2 3.48Å; P567-Q574 PolarHBondContact O-NE2 3.43Å; S569-Q574 PolarHBondContact O-OE1 2.72Å; S569-Q574 VanDerWaalsContact O-OE1 3.11Å; S569-Q574 PolarHBondContact OG-NE2 2.5Å; I571-Q574 HydrophobicContact CD1-CG 4.11Å; I571-Q574 HydrophobicContact CG1-CB 4.13Å; I571-Q574 HydrophobicContact CG1-CG 3.78Å; I571-Q574 PolarHBondContact O-N 2.8Å; L572-Q574 PolarHBondContact O-N 3.37Å
575	K	98.1	Very high	92.4	Very high	13 Å²	13	69.3 Å²	69.3	6%	0.057	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-105.4	130.9	177.7	-47.8	-52.2	-165.2	-172.3	0	110.3	R451 D538 G539 D570 L572	R451-K575 HydrophobicContact CB-CB 4.08Å; R451-K575 WeakPolarHBondContact CB-O 3.4Å; R451-K575 HydrophobicContact CG-CB 4.06Å; R451-K575 PolarHBondContact N-O 3.19Å; D538-K575 WeakPolarHBondContact O-CD 3.43Å; D538-K575 IonicContact OD2-NZ 3.53Å; D538-K575 PolarHBondContact OD2-NZ 3.17Å; G539-K575 CarbonylContact O-C 3.56Å; G539-K575 WeakPolarHBondContact O-CA 3.44Å; D570-K575 WeakPolarHBondContact OD1-CE 3.28Å; D570-K575 IonicContact OD1-NZ 3.51Å; D570-K575 PolarHBondContact OD1-NZ 2.95Å; L572-K575 PolarHBondContact O-N 2.65Å
576	W	98.1	Very high	92.1	Very high	1 Å²	1	73.1 Å²	73.1	0%	0.004	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	158.7	-175	-56.3	88.6	0	0	0	110.7	L448 K449 F458 L475 F535 G539 L541 I550 A552	L448-W576 HydrophobicContact CD1-CB 3.94Å; L448-W576 HydrophobicContact CG-CE3 4.4Å; K449-W576 VanDerWaalsContact O-CA 3.24Å; K449-W576 WeakPolarHBondContact O-CA 3.45Å; F458-W576 AromaticContact CD1-CE3 4Å; F458-W576 HydrophobicContact CD1-CE3 4Å; F458-W576 HydrophobicContact CD1-CH2 4.15Å; F458-W576 AromaticContact CD1-CZ3 3.62Å; F458-W576 HydrophobicContact CD1-CZ3 3.62Å; F458-W576 HydrophobicContact CE1-CD2 4.07Å; F458-W576 AromaticContact CE1-CE3 3.64Å; F458-W576 HydrophobicContact CE1-CE3 3.64Å; F458-W576 AromaticContact CE1-CH2 3.64Å; F458-W576 HydrophobicContact CE1-CH2 3.64Å; F458-W576 HydrophobicContact CE1-CZ2 4.04Å; F458-W576 AromaticContact CE1-CZ3 3.42Å; F458-W576 HydrophobicContact CE1-CZ3 3.42Å; F458-W576 VanDerWaalsContact CE1-CZ3 3.42Å; L475-W576 HydrophobicContact CD1-CH2 4.15Å; L475-W576 HydrophobicContact CD2-CH2 3.69Å; L475-W576 HydrophobicContact CD2-CZ3 3.85Å; F535-W576 WeakPolarHBondContact CZ-O 3.47Å; G539-W576 WeakPolarHBondContact CA-O 3.45Å; G539-W576 PolarHBondContact O-N 3.47Å; L541-W576 HydrophobicContact CD1-CB 3.88Å; L541-W576 HydrophobicContact CD1-CG 3.8Å; L541-W576 HydrophobicContact CG-CB 4.39Å; L541-W576 HydrophobicContact CG-CG 4.44Å; I550-W576 HydrophobicContact CG2-CZ2 3.82Å; I550-W576 PolarHBondContact O-NE1 2.92Å; A552-W576 HydrophobicContact CB-CH2 3.82Å; A552-W576 HydrophobicContact CB-CZ2 3.99Å
577	F	97.3	Very high	91.9	Very high	64 Å²	64	72.9 Å²	72.9	28%	0.281	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.1	172.6	65.8	-78	0	0	0	110.2	K449 R451 E579	K449-F577 HydrophobicContact CB-CD1 4.08Å; K449-F577 HydrophobicContact CB-CD2 4.46Å; K449-F577 HydrophobicContact CB-CE1 3.63Å; K449-F577 HydrophobicContact CB-CE2 4.05Å; K449-F577 HydrophobicContact CB-CG 4.48Å; K449-F577 HydrophobicContact CB-CZ 3.62Å; K449-F577 HydrophobicContact CD-CE2 3.92Å; K449-F577 HydrophobicContact CD-CZ 3.88Å; K449-F577 HydrophobicContact CG-CZ 4.32Å; K449-F577 PolarHBondContact N-O 2.69Å; K449-F577 PolarHBondContact O-N 2.72Å; K449-F577 VanDerWaalsContact O-N 3.08Å; R451-F577 HydrophobicContact CG-CD1 3.67Å; R451-F577 HydrophobicContact CG-CE1 3.91Å; F577-E579 HydrophobicContact CE2-CB 4.24Å
578	F	96.9	Very high	91.6	Very high	19 Å²	19	71.2 Å²	71.2	8%	0.083	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	143.1	170.4	-73.2	-83.9	0	0	0	110.8	M447 L448 F487 F535	M447-F578 CarbonylContact O-C 3.56Å; M447-F578 VanDerWaalsContact O-CA 3.32Å; M447-F578 WeakPolarHBondContact O-CA 3.09Å; L448-F578 HydrophobicContact CB-CD1 4.23Å; L448-F578 HydrophobicContact CB-CE1 3.9Å; L448-F578 HydrophobicContact CB-CZ 4.4Å; L448-F578 HydrophobicContact CD1-CD1 4.29Å; L448-F578 HydrophobicContact CD1-CD2 4.19Å; L448-F578 HydrophobicContact CD1-CE1 4.05Å; L448-F578 HydrophobicContact CD1-CE2 3.91Å; L448-F578 HydrophobicContact CD1-CG 4.36Å; L448-F578 HydrophobicContact CD1-CZ 3.85Å; L448-F578 HydrophobicContact CD2-CE1 4.5Å; L448-F578 HydrophobicContact CD2-CZ 4.24Å; L448-F578 HydrophobicContact CG-CE1 4.37Å; L448-F578 HydrophobicContact CG-CZ 4.39Å; F487-F578 HydrophobicContact CB-CE1 4.12Å; F535-F578 HydrophobicContact CD1-CE2 4.14Å; F535-F578 AromaticContact CE1-CD2 3.7Å; F535-F578 HydrophobicContact CE1-CD2 3.7Å; F535-F578 AromaticContact CE1-CE2 3.66Å; F535-F578 HydrophobicContact CE1-CE2 3.66Å
579	E	94.3	Very high	91.1	Very high	71 Å²	71	72.4 Å²	72.4	33%	0.332	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117	171.6	-172.1	-179.7	-94.4	0	0	109	M447 K449 F577	M447-E579 HydrophobicContact CE-CB 4.4Å; M447-E579 HydrophobicContact CE-CG 4.35Å; M447-E579 VanDerWaalsContact CE-OE2 3.23Å; M447-E579 WeakPolarHBondContact CE-OE2 3.33Å; M447-E579 PolarHBondContact N-O 2.77Å; M447-E579 PolarHBondContact O-N 3.2Å; K449-E579 HydrophobicContact CD-CB 3.66Å; K449-E579 HydrophobicContact CD-CG 4.28Å; K449-E579 VanDerWaalsContact CD-OE2 3.3Å; K449-E579 WeakPolarHBondContact CD-OE2 3.46Å; K449-E579 IonicContact NZ-OE1 2.72Å; K449-E579 PolarHBondContact NZ-OE1 3.13Å; K449-E579 IonicContact NZ-OE2 3.18Å; K449-E579 PolarHBondContact NZ-OE2 3.34Å; F577-E579 HydrophobicContact CE2-CB 4.24Å
580	E	87.4	Confident	90.7	Very high	76 Å²	76	73.8 Å²	73.8	36%	0.355	36%	0.356	S	S	.	.			trans	-76.9	136	169.2	-63.2	174.2	-136	0	0	108.4	G443 F445	G443-E580 PolarHBondContact N-OE1 2.84Å; F445-E580 HydrophobicContact CD2-CG 4.11Å; F445-E580 HydrophobicContact CE1-CG 4.36Å; F445-E580 WeakPolarHBondContact CE1-OE1 3.45Å; F445-E580 HydrophobicContact CE2-CG 3.63Å; F445-E580 HydrophobicContact CZ-CG 3.78Å; F445-E580 WeakPolarHBondContact CZ-OE1 3.23Å; F445-E580 WeakPolarHBondContact CZ-OE2 3.44Å
581	K	71	Confident	90.3	Very high	120 Å²	120	68.6 Å²	68.6	52%	0.522	33%	0.325	S	S	.	.			trans	-94.8	109.2	165.9	-165.6	-176.2	-170.9	172.9	0	107.9	H479 G480	H479-K581 PolarHBondContact O-NZ 3.4Å; G480-K581 WeakPolarHBondContact O-CD 3.04Å; G480-K581 WeakPolarHBondContact O-CE 3.38Å; G480-K581 PolarHBondContact O-NZ 2.74Å
582	L	51.8	Low	89.7	Confident	188 Å²	188	68.7 Å²	68.7	98%	0.984	32%	0.323	S	S	*	.			trans	-66.7	0	172.7	-69.6	167.7	0	0	0	111.6

Retrieved 582 of 582 residues in 790.8 ms (Link to these results)

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