A0A087XLG1_POEFO Loading...

Malonate--CoA ligase ACSF3, mitochondrial

Catalyzes the initial reaction in intramitochondrial fatty acid synthesis, by activating malonate and methylmalonate, but not acetate, into their respective CoA thioester. May have some preference toward very-long-chain substrates.

AlphaFold DB , UniProt , Accession A0A087XLG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 589 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	32	Very low	240 Å²	240	170.3 Å²	170.3	100%	1.182	88%	0.881	S	S	*	*				0	68.7	0	-157.8	-171.5	-72.2	0	0	108.1
2	L	32.1	Very low	32	Very low	177 Å²	177	166.9 Å²	166.9	93%	0.927	88%	0.878	S	S	*	*			trans	-147.4	68.7	-173.4	-90.3	167.9	0	0	0	108
3	S	31.2	Very low	31.6	Very low	112 Å²	112	165.3 Å²	165.3	78%	0.783	87%	0.869	S	S	*	*			trans	-153	28.3	-179.1	62.7	0	0	0	0	114.3
4	E	35.3	Very low	31.1	Very low	182 Å²	182	171.1 Å²	171.1	85%	0.85	87%	0.874	S	S	*	*			trans	-148.6	91.4	171.5	-72.9	-171.2	162.8	0	0	109.6
5	L	32	Very low	30.8	Very low	156 Å²	156	173.9 Å²	173.9	82%	0.817	87%	0.869	S	S	*	*			trans	-166.3	66.5	164.1	-102.6	167.9	0	0	0	108.8
6	F	32	Very low	30.4	Very low	204 Å²	204	171.2 Å²	171.2	90%	0.895	87%	0.865	S	S	*	*			trans	-141.2	103.2	164.5	-76.5	-72.8	0	0	0	109.9
7	T	28.3	Very low	30.1	Very low	138 Å²	138	172.2 Å²	172.2	85%	0.847	86%	0.863	S	S	*	*			trans	-179	112.6	140.5	21.9	0	0	0	0	108.2
8	F	31.1	Very low	29.8	Very low	204 Å²	204	171.4 Å²	171.4	90%	0.895	86%	0.861	S	S	*	*			trans	-138	125.2	166.5	-92.2	-76.9	0	0	0	110.3
9	T	30.8	Very low	29.5	Very low	137 Å²	137	172.1 Å²	172.1	84%	0.84	86%	0.86	S	S	*	*			trans	-93.2	132.2	169.5	44.8	0	0	0	0	110
10	K	30.4	Very low	29.3	Very low	207 Å²	207	175.6 Å²	175.6	90%	0.9	86%	0.863	S	S	*	*			trans	-79.2	152.3	177.9	-77.8	-179.8	173.8	177.7	0	113
11	P	28.9	Very low	29.1	Very low	116 Å²	116	177.1 Å²	177.1	75%	0.753	87%	0.865	S	S	*	*			trans	-120.8	164	144.5	30	-13.9	0	0	0	112.8
12	P	31.7	Very low	28.4	Very low	130 Å²	130	169.9 Å²	169.9	84%	0.844	84%	0.843	S	S	*	*			trans	-93.4	151.4	-159.4	35.5	-33.2	0	0	0	115
13	L	27.4	Very low	28.1	Very low	146 Å²	146	167.2 Å²	167.2	76%	0.764	84%	0.84	S	S	*	*			trans	-74.1	139.4	171.6	-80	121.8	0	0	0	112.2
14	R	24.6	Very low	27.7	Very low	247 Å²	247	172.5 Å²	172.5	93%	0.932	84%	0.844	S	S	*	*			trans	-112.3	128.2	158.8	-86.2	-174.8	172.2	-173.6	-1	109.1
15	W	26.1	Very low	27.2	Very low	213 Å²	213	169.3 Å²	169.3	81%	0.807	84%	0.841	S	S	*	*			trans	-93.9	136.6	174.3	-70.1	85.9	0	0	0	110.2
16	T	25.1	Very low	26.9	Very low	130 Å²	130	170.5 Å²	170.5	80%	0.798	84%	0.84	S	S	*	*			trans	-123.9	117	165.9	41.3	0	0	0	0	109
17	F	24.1	Very low	26.6	Very low	189 Å²	189	168.7 Å²	168.7	83%	0.829	84%	0.84	S	S	*	*			trans	-79	132.6	173.4	-83.2	-94.4	0	0	0	110.2
18	L	24.9	Very low	26.4	Very low	158 Å²	158	167.5 Å²	167.5	83%	0.827	83%	0.833	S	S	*	*			trans	-114.2	117.2	167	-102.3	131.3	0	0	0	109.1
19	H	24.6	Very low	26.2	Very low	184 Å²	184	167 Å²	167	85%	0.852	83%	0.832	S	S	*	*			trans	-75.1	131.1	172.2	-85.2	-61.9	0	0	0	110.7
20	W	26.2	Very low	26.1	Very low	242 Å²	242	166 Å²	166	92%	0.917	83%	0.828	S	S	*	*			trans	-113.2	124.9	165.1	-110.2	57.9	0	0	0	109.5
21	K	23.8	Very low	26	Very low	207 Å²	207	164.5 Å²	164.5	90%	0.9	83%	0.829	S	S	*	*			trans	-89.5	123.8	168.8	-87.2	-178.8	174	178.1	0	108.7
22	A	26.1	Very low	25.9	Very low	88 Å²	88	165.5 Å²	165.5	73%	0.727	83%	0.828	S	S	*	*			trans	-88.8	134.8	171.3	0	0	0	0	0	110.5
23	S	24.6	Very low	26.2	Very low	122 Å²	122	164 Å²	164	85%	0.853	82%	0.819	S	S	*	*			trans	-112.4	114.7	171.4	-40.7	0	0	0	0	108.2
24	Y	24.5	Very low	26	Very low	223 Å²	223	167.4 Å²	167.4	88%	0.875	82%	0.821	S	S	*	*			trans	-91.3	130.1	172.4	-91.5	-93.8	0	0	0	109.7
25	S	24.2	Very low	26	Very low	114 Å²	114	165.8 Å²	165.8	80%	0.797	82%	0.815	S	S	*	*			trans	-116.2	113.3	159.2	69.7	0	0	0	0	109.7
26	K	25.4	Very low	26	Very low	182 Å²	182	166.9 Å²	166.9	79%	0.791	82%	0.82	S	S	*	*			trans	-78.5	131.7	166.3	-78.7	176.2	172.7	177.4	0	108.6
27	N	25.2	Very low	25.9	Very low	166 Å²	166	165 Å²	165	89%	0.888	81%	0.812	S	S	*	*			trans	-126.3	115.8	155.4	-95	-11.3	0	0	0	108.6
28	T	25.6	Very low	26	Very low	113 Å²	113	163.9 Å²	163.9	69%	0.693	81%	0.813	S	S	*	*			trans	-114.4	131.9	172.7	42.3	0	0	0	0	107.5
29	H	25.8	Very low	26.1	Very low	193 Å²	193	159.5 Å²	159.5	89%	0.894	81%	0.806	S	S	*	*			trans	-149	151.9	150.4	-91.4	-61.7	0	0	0	110.6
30	P	29.6	Very low	26	Very low	116 Å²	116	160 Å²	160	75%	0.753	81%	0.807	S	S	*	*			trans	-109.4	165.2	-144.7	22.3	-1.6	0	0	0	113.9
31	L	28.3	Very low	26	Very low	175 Å²	175	153.2 Å²	153.2	92%	0.916	79%	0.793	S	S	*	*			trans	-71.9	147.6	168.3	-68.9	157.3	0	0	0	111.2
32	D	25.9	Very low	26.2	Very low	138 Å²	138	150.3 Å²	150.3	74%	0.738	79%	0.793	S	S	*	*			trans	-141	139	152.4	-156.9	30.6	0	0	0	110.2
33	P	38.4	Very low	26.1	Very low	99 Å²	99	154 Å²	154	64%	0.643	80%	0.795	S	S	*	*			trans	-107	156.9	-171.2	37.4	-25.2	0	0	0	112.6
34	R	22.5	Very low	26.2	Very low	216 Å²	216	157.9 Å²	157.9	82%	0.815	80%	0.796	S	S	*	*			trans	-164	116.5	153.8	-111.8	170.3	-105	-160.8	-0.4	114
35	W	24.6	Very low	26.1	Very low	214 Å²	214	151.7 Å²	151.7	81%	0.811	79%	0.785	S	S	*	*			trans	5.9	136.7	146.4	-59.1	76.3	0	0	0	119.5
36	W	26	Very low	26.1	Very low	236 Å²	236	152.4 Å²	152.4	89%	0.894	79%	0.785	S	S	*	*				-174.8	142.2	95.2	-90.9	93.4	0	0	0	111
37	S	24.5	Very low	26.1	Very low	91 Å²	91	154.5 Å²	154.5	64%	0.636	79%	0.79	S	S	*	*			trans	-71.9	135.8	173.9	25.2	0	0	0	0	112.2
38	L	25.1	Very low	26.1	Very low	164 Å²	164	157.5 Å²	157.5	86%	0.859	79%	0.789	S	S	*	*			trans	-156.8	122.2	156	-99.2	158.9	0	0	0	108.2
39	G	26.6	Very low	26.2	Very low	66 Å²	66	163.2 Å²	163.2	68%	0.68	80%	0.798	S	S	*	*			trans	-72.7	153.1	-175.6	0	0	0	0	0	113.3
40	F	23.9	Very low	26.3	Very low	196 Å²	196	160.6 Å²	160.6	86%	0.86	80%	0.795	S	S	*	*			trans	-161.8	164.9	170.8	-94.6	-56.2	0	0	0	110.1
41	P	25.2	Very low	26.5	Very low	98 Å²	98	160.7 Å²	160.7	64%	0.636	79%	0.794	S	S	*	*			trans	-92.6	169.2	-130.1	31.3	-21.1	0	0	0	114.3	H43	P41-H43 PolarHBondContact O-N 3.44Å
42	V	27.9	Very low	26.8	Very low	147 Å²	147	155.7 Å²	155.7	89%	0.891	78%	0.778	S	S	*	*			trans	-61.6	94.8	173.2	-179.6	0	0	0	0	109.9
43	H	23.8	Very low	27.2	Very low	166 Å²	166	153.1 Å²	153.1	77%	0.769	77%	0.77	S	S	*	*			trans	-91.5	117.9	163.2	-96.3	-42.3	0	0	0	109.7	P41 S45	P41-H43 PolarHBondContact O-N 3.44Å; H43-S45 VanDerWaalsContact C-N 3.31Å; H43-S45 PolarHBondContact O-N 2.9Å
44	K	26.5	Very low	27.1	Very low	202 Å²	202	153.7 Å²	153.7	88%	0.878	78%	0.777	S	S	*	*			trans	-60.4	95.8	160.3	-79.5	-179.8	175.5	177.8	0	108.1	T46	K44-T46 PolarHBondContact O-N 3.26Å
45	S	23.2	Very low	28.3	Very low	93 Å²	93	147.2 Å²	147.2	65%	0.65	77%	0.765	S	S	*	*			trans	-73.1	103.3	171.4	170.2	0	0	0	0	109.1	H43 Y47	H43-S45 VanDerWaalsContact C-N 3.31Å; H43-S45 PolarHBondContact O-N 2.9Å; S45-Y47 PolarHBondContact O-N 2.85Å
46	T	24.9	Very low	29.7	Very low	130 Å²	130	144.2 Å²	144.2	80%	0.798	75%	0.753	S	S	*	*			trans	-61.1	113.2	156.5	35.2	0	0	0	0	107.5	K44 R48	K44-T46 PolarHBondContact O-N 3.26Å; T46-R48 VanDerWaalsContact C-N 3.29Å; T46-R48 PolarHBondContact O-N 3.38Å
47	Y	25.2	Very low	30.9	Very low	225 Å²	225	138.6 Å²	138.6	88%	0.882	75%	0.745	S	S	*	*			trans	-61.8	93.1	173.2	-100.9	-94.3	0	0	0	108.9	S45 R49	S45-Y47 PolarHBondContact O-N 2.85Å; Y47-R49 PolarHBondContact O-N 3.49Å
48	R	23.9	Very low	33.4	Very low	229 Å²	229	139.4 Å²	139.4	86%	0.864	74%	0.742	S	S	*	*			trans	-65.5	116.4	160.5	-112.9	178.6	179	-178.4	0	106.1	T46 T50	T46-R48 VanDerWaalsContact C-N 3.29Å; T46-R48 PolarHBondContact O-N 3.38Å; R48-T50 PolarHBondContact O-N 3.31Å
49	R	29.4	Very low	36.4	Very low	234 Å²	234	132.1 Å²	132.1	88%	0.883	71%	0.705	S	S	*	*			trans	-46.1	102.9	162.6	-101	176.6	174.2	168.1	-0.8	107.9	Y47 T51	Y47-R49 PolarHBondContact O-N 3.49Å; R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.01Å
50	T	27.7	Very low	39.4	Very low	138 Å²	138	135.7 Å²	135.7	85%	0.847	70%	0.698	S	S	*	*			trans	-66.2	105.2	158.4	33.2	0	0	0	0	105.8	R48 A52	R48-T50 PolarHBondContact O-N 3.31Å; T50-A52 PolarHBondContact O-N 3.43Å; T50-A52 VanDerWaalsContact O-N 3.07Å
51	T	32.9	Very low	42.6	Very low	118 Å²	118	126.6 Å²	126.6	72%	0.724	66%	0.658	S	S	*	*			trans	-55.3	107.9	175.6	38.9	0	0	0	0	109.3	R49 S53	R49-T51 VanDerWaalsContact C-N 3.35Å; R49-T51 PolarHBondContact O-N 3.01Å; T51-S53 PolarHBondContact O-N 2.98Å
52	A	34.1	Very low	45.9	Very low	69 Å²	69	122.1 Å²	122.1	57%	0.57	63%	0.629	S	S	*	*			trans	-63.8	80.4	154.2	0	0	0	0	0	107.3	T50	T50-A52 PolarHBondContact O-N 3.43Å; T50-A52 VanDerWaalsContact O-N 3.07Å
53	S	35.1	Very low	49.1	Very low	84 Å²	84	115.7 Å²	115.7	59%	0.587	59%	0.589	S	S	*	*			trans	-91.4	-16.5	-171	167.3	0	0	0	0	112.9	T51	T51-S53 PolarHBondContact O-N 2.98Å
54	S	36.9	Very low	52.4	Low	111 Å²	111	110.1 Å²	110.1	78%	0.776	57%	0.567	S	S	*	*	S	Bend	trans	-90.2	-19.8	-176.5	65.5	0	0	0	0	114.8	T57	S54-T57 PolarHBondContact O-OG1 3.04Å
55	S	47.2	Very low	55.7	Low	80 Å²	80	105.4 Å²	105.4	56%	0.559	54%	0.543	S	S	*	.	S	Bend	trans	-87.6	-19.8	-178	63.6	0	0	0	0	114.2
56	R	53.2	Low	59.2	Low	151 Å²	151	101 Å²	101	57%	0.57	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-79.3	-21	-174.4	-68.3	-174	177.2	-153	-5.6	114.3	N58	R56-N58 VanDerWaalsContact C-N 3.32Å; R56-N58 PolarHBondContact O-N 3.35Å
57	T	52.6	Low	62.4	Low	119 Å²	119	97.6 Å²	97.6	73%	0.73	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-82.2	-4.5	-174.6	48	0	0	0	0	114.3	S54	S54-T57 PolarHBondContact O-OG1 3.04Å
58	N	76.2	Confident	65.8	Low	107 Å²	107	90.3 Å²	90.3	57%	0.572	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-122.9	26.9	-177.4	-157.3	21.7	0	0	0	113.6	R56 Q240	R56-N58 VanDerWaalsContact C-N 3.32Å; R56-N58 PolarHBondContact O-N 3.35Å; N58-Q240 PolarHBondContact O-NE2 2.91Å
59	V	87.4	Confident	69.3	Low	12 Å²	12	81.8 Å²	81.8	7%	0.073	46%	0.456	C	S	.	.			trans	-78.9	123	171.2	-179	0	0	0	0	109	W212 A213 H236 Q240	V59-W212 HydrophobicContact CG1-CB 4.22Å; V59-A213 HydrophobicContact CB-CB 4.03Å; V59-A213 HydrophobicContact CG2-CB 3.79Å; V59-H236 HydrophobicContact CG1-CB 3.92Å; V59-Q240 VanDerWaalsContact CA-OE1 3.29Å; V59-Q240 HydrophobicContact CG1-CB 4.46Å
60	R	89.3	Confident	72.4	Confident	141 Å²	141	71.6 Å²	71.6	53%	0.532	42%	0.423	S	S	.	.			trans	-138.6	135.7	174.9	-61.4	-172.7	179.5	-164.9	-3.4	110.4	T64 Q240	R60-T64 HydrophobicContact CB-CG2 4.2Å; R60-T64 WeakPolarHBondContact CB-OG1 3.34Å; R60-Q240 PolarHBondContact O-OE1 3.22Å
61	P	92.6	Very high	75.8	Confident	5 Å²	5	70.9 Å²	70.9	3%	0.032	41%	0.41	C	S	.	.			trans	-56.8	152.6	173.3	-22.4	31.4	0	0	0	112.2	F63 T64 W132 W212	P61-F63 HydrophobicContact CB-CD1 3.53Å; P61-F63 HydrophobicContact CB-CE1 3.26Å; P61-F63 HydrophobicContact CB-CG 4.35Å; P61-F63 HydrophobicContact CB-CZ 3.92Å; P61-F63 HydrophobicContact CG-CD1 4.39Å; P61-F63 HydrophobicContact CG-CE1 3.63Å; P61-F63 HydrophobicContact CG-CZ 3.92Å; P61-F63 PolarHBondContact O-N 3.09Å; P61-F63 VanDerWaalsContact O-N 3.17Å; P61-T64 HydrophobicContact CB-CG2 4.49Å; P61-T64 WeakPolarHBondContact O-CB 3.37Å; P61-T64 WeakPolarHBondContact O-CG2 3.32Å; P61-T64 PolarHBondContact O-N 3.16Å; P61-T64 PolarHBondContact O-OG1 3.02Å; P61-W132 HydrophobicContact CB-CE3 4.35Å; P61-W212 HydrophobicContact CG-CD2 3.62Å; P61-W212 HydrophobicContact CG-CE3 3.63Å; P61-W212 HydrophobicContact CG-CG 4.14Å; P61-W212 HydrophobicContact CG-CH2 4.29Å; P61-W212 HydrophobicContact CG-CZ2 4.3Å; P61-W212 HydrophobicContact CG-CZ3 3.97Å
62	V	94.6	Very high	78.9	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.024	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-55.2	-38.1	-176.3	-177.3	0	0	0	0	112.7	T64 R65 L275 L278 W279	V62-T64 PolarHBondContact O-N 3.23Å; V62-T64 VanDerWaalsContact O-N 3.12Å; V62-R65 PolarHBondContact O-N 3.28Å; V62-R65 VanDerWaalsContact O-N 3.15Å; V62-L275 HydrophobicContact CB-CD2 4.28Å; V62-L275 HydrophobicContact CG2-CB 4.22Å; V62-L275 HydrophobicContact CG2-CD2 3.89Å; V62-L275 HydrophobicContact CG2-CG 4.44Å; V62-L278 HydrophobicContact CG1-CB 3.78Å; V62-W279 HydrophobicContact CB-CE3 4.45Å; V62-W279 HydrophobicContact CG1-CB 4.46Å; V62-W279 HydrophobicContact CG1-CE3 4.49Å; V62-W279 HydrophobicContact CG2-CE3 3.96Å; V62-W279 HydrophobicContact CG2-CZ3 4.45Å
63	F	95	Very high	81.9	Confident	12 Å²	12	67.4 Å²	67.4	5%	0.053	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.5	-179.2	70.7	-108	0	0	0	113.5	P61 R65 A66 P67 Y88 W129 W132 M133 W212	P61-F63 HydrophobicContact CB-CD1 3.53Å; P61-F63 HydrophobicContact CB-CE1 3.26Å; P61-F63 HydrophobicContact CB-CG 4.35Å; P61-F63 HydrophobicContact CB-CZ 3.92Å; P61-F63 HydrophobicContact CG-CD1 4.39Å; P61-F63 HydrophobicContact CG-CE1 3.63Å; P61-F63 HydrophobicContact CG-CZ 3.92Å; P61-F63 PolarHBondContact O-N 3.09Å; P61-F63 VanDerWaalsContact O-N 3.17Å; F63-R65 PolarHBondContact O-N 2.95Å; F63-A66 VanDerWaalsContact O-CB 3.29Å; F63-A66 WeakPolarHBondContact O-CB 3.47Å; F63-A66 PolarHBondContact O-N 3.48Å; F63-P67 WeakPolarHBondContact O-CD 3.21Å; F63-Y88 HydrophobicContact CD2-CE2 4.08Å; F63-W129 HydrophobicContact CB-CB 4.15Å; F63-W129 HydrophobicContact CB-CD2 3.49Å; F63-W129 VanDerWaalsContact CB-CD2 3.49Å; F63-W129 HydrophobicContact CB-CE3 3.87Å; F63-W129 HydrophobicContact CB-CG 3.63Å; F63-W129 HydrophobicContact CB-CZ2 4.39Å; F63-W129 HydrophobicContact CB-CZ3 4.46Å; F63-W132 HydrophobicContact CD1-CB 4.12Å; F63-W132 HydrophobicContact CD1-CE3 4.08Å; F63-W132 HydrophobicContact CE1-CB 3.64Å; F63-M133 HydrophobicContact CB-CE 3.97Å; F63-M133 HydrophobicContact CD1-CG 4.13Å; F63-M133 HydrophobicContact CD2-CE 3.45Å; F63-M133 VanDerWaalsContact CD2-CE 3.45Å; F63-M133 HydrophobicContact CD2-CG 3.96Å; F63-M133 HydrophobicContact CE1-CG 3.87Å; F63-M133 HydrophobicContact CE2-CE 4.06Å; F63-M133 HydrophobicContact CE2-CG 3.69Å; F63-M133 HydrophobicContact CG-CE 3.75Å; F63-M133 HydrophobicContact CG-CG 4.2Å; F63-M133 HydrophobicContact CZ-CG 3.66Å; F63-W212 HydrophobicContact CZ-CH2 4.37Å; F63-W212 HydrophobicContact CZ-CZ2 4.36Å
64	T	93.6	Very high	85	Confident	48 Å²	48	63.4 Å²	63.4	29%	0.294	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-64.4	-15.9	-179	63.5	0	0	0	0	113	R60 P61 V62	R60-T64 HydrophobicContact CB-CG2 4.2Å; R60-T64 WeakPolarHBondContact CB-OG1 3.34Å; P61-T64 HydrophobicContact CB-CG2 4.49Å; P61-T64 WeakPolarHBondContact O-CB 3.37Å; P61-T64 WeakPolarHBondContact O-CG2 3.32Å; P61-T64 PolarHBondContact O-N 3.16Å; P61-T64 PolarHBondContact O-OG1 3.02Å; V62-T64 PolarHBondContact O-N 3.23Å; V62-T64 VanDerWaalsContact O-N 3.12Å
65	R	94.5	Very high	87.9	Confident	103 Å²	103	58.1 Å²	58.1	39%	0.389	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-87.8	-23	175.3	-64.3	-178.1	157	-116.6	-12	113.2	V62 F63 P67 G68 F69 W279	V62-R65 PolarHBondContact O-N 3.28Å; V62-R65 VanDerWaalsContact O-N 3.15Å; F63-R65 PolarHBondContact O-N 2.95Å; R65-P67 VanDerWaalsContact C-CD 3.49Å; R65-G68 PolarHBondContact O-N 2.96Å; R65-F69 HydrophobicContact CB-CD2 4.49Å; R65-F69 HydrophobicContact CB-CE2 3.74Å; R65-F69 HydrophobicContact CB-CZ 4.25Å; R65-F69 WeakPolarHBondContact O-CD2 3.45Å; R65-W279 WeakPolarHBondContact CD-O 3.39Å; R65-W279 PolarHBondContact NH1-O 3.1Å
66	A	95.9	Very high	90.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-55.4	-41.3	-174.4	0	0	0	0	0	113.8	F63 G68 F69 G70 Y84 Y88 W129	F63-A66 VanDerWaalsContact O-CB 3.29Å; F63-A66 WeakPolarHBondContact O-CB 3.47Å; F63-A66 PolarHBondContact O-N 3.48Å; A66-G68 PolarHBondContact O-N 3.06Å; A66-G68 VanDerWaalsContact O-N 3.16Å; A66-F69 PolarHBondContact O-N 2.84Å; A66-G70 PolarHBondContact O-N 3.28Å; A66-G70 VanDerWaalsContact O-N 3.08Å; A66-Y84 HydrophobicContact CB-CD1 3.84Å; A66-Y88 HydrophobicContact CB-CD2 4.04Å; A66-Y88 HydrophobicContact CB-CG 4.48Å; A66-W129 HydrophobicContact CB-CH2 3.73Å; A66-W129 HydrophobicContact CB-CZ3 3.84Å
67	P	94.1	Very high	92.4	Very high	58 Å²	58	48.8 Å²	48.8	38%	0.377	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-27.8	175.8	-26.4	36.5	0	0	0	114	F63 R65 F69 Y88	F63-P67 WeakPolarHBondContact O-CD 3.21Å; R65-P67 VanDerWaalsContact C-CD 3.49Å; P67-F69 VanDerWaalsContact C-N 3.31Å; P67-Y88 HydrophobicContact CG-CD1 4.2Å; P67-Y88 HydrophobicContact CG-CD2 3.9Å; P67-Y88 HydrophobicContact CG-CE1 3.95Å; P67-Y88 HydrophobicContact CG-CE2 3.62Å; P67-Y88 HydrophobicContact CG-CG 4.19Å
68	G	95.2	Very high	94.5	Very high	72 Å²	72	47.7 Å²	47.7	74%	0.742	27%	0.269	S	S	*	.	H	α-helix	trans	-75.3	-18	176.8	0	0	0	0	0	114.1	R65 A66	R65-G68 PolarHBondContact O-N 2.96Å; A66-G68 PolarHBondContact O-N 3.06Å; A66-G68 VanDerWaalsContact O-N 3.16Å
69	F	97.4	Very high	95.4	Very high	51 Å²	51	44.9 Å²	44.9	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-95.6	-30.3	176.3	-56.2	-48.5	0	0	0	111.9	R65 A66 P67 E71 T72 Y84 V280	R65-F69 HydrophobicContact CB-CD2 4.49Å; R65-F69 HydrophobicContact CB-CE2 3.74Å; R65-F69 HydrophobicContact CB-CZ 4.25Å; R65-F69 WeakPolarHBondContact O-CD2 3.45Å; A66-F69 PolarHBondContact O-N 2.84Å; P67-F69 VanDerWaalsContact C-N 3.31Å; F69-E71 PolarHBondContact O-N 3.43Å; F69-T72 WeakPolarHBondContact CB-OG1 3.47Å; F69-T72 WeakPolarHBondContact O-CG2 3.38Å; F69-T72 PolarHBondContact O-N 2.76Å; F69-T72 PolarHBondContact O-OG1 2.99Å; F69-Y84 HydrophobicContact CB-CD1 4.16Å; F69-Y84 HydrophobicContact CB-CD2 3.73Å; F69-Y84 HydrophobicContact CB-CE2 4.27Å; F69-Y84 HydrophobicContact CB-CG 3.68Å; F69-Y84 AromaticContact CD2-CD1 3.66Å; F69-Y84 HydrophobicContact CD2-CD1 3.66Å; F69-Y84 HydrophobicContact CD2-CD2 4.42Å; F69-Y84 AromaticContact CD2-CE1 3.58Å; F69-Y84 HydrophobicContact CD2-CE1 3.58Å; F69-Y84 HydrophobicContact CD2-CE2 4.39Å; F69-Y84 HydrophobicContact CD2-CG 4.09Å; F69-Y84 AromaticContact CD2-CZ 3.99Å; F69-Y84 HydrophobicContact CE2-CE1 4.18Å; F69-Y84 HydrophobicContact CG-CD1 4.38Å; F69-Y84 HydrophobicContact CG-CD2 4.43Å; F69-Y84 HydrophobicContact CG-CE1 4.46Å; F69-Y84 HydrophobicContact CG-CG 4.35Å; F69-V280 VanDerWaalsContact CZ-C 3.41Å
70	G	95.7	Very high	95.8	Very high	20 Å²	20	45.7 Å²	45.7	21%	0.206	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-123.6	169.1	0	0	0	0	0	113.1	A66 T72 Y84 K85	A66-G70 PolarHBondContact O-N 3.28Å; A66-G70 VanDerWaalsContact O-N 3.08Å; G70-T72 PolarHBondContact O-N 3.46Å; G70-Y84 WeakPolarHBondContact O-CB 3.45Å; G70-Y84 PolarHBondContact O-N 3.15Å; G70-K85 WeakPolarHBondContact O-CB 3.43Å; G70-K85 PolarHBondContact O-N 3.19Å
71	E	97.3	Very high	96.2	Very high	123 Å²	123	42.8 Å²	42.8	58%	0.575	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3.4	-175.3	-57.8	-62.9	172.4	0	0	114	F69 S83 K85	F69-E71 PolarHBondContact O-N 3.43Å; E71-S83 PolarHBondContact OE2-OG 3.42Å; E71-K85 WeakPolarHBondContact OE1-CD 3.36Å; E71-K85 IonicContact OE1-NZ 2.73Å; E71-K85 PolarHBondContact OE1-NZ 3.04Å
72	T	98	Very high	96.4	Very high	67 Å²	67	43.1 Å²	43.1	41%	0.411	27%	0.271	S	S	.	.	S	Bend	trans	-63.7	145.1	175.6	58.7	0	0	0	0	110.5	F69 G70 A74 S83 Y84	F69-T72 WeakPolarHBondContact CB-OG1 3.47Å; F69-T72 WeakPolarHBondContact O-CG2 3.38Å; F69-T72 PolarHBondContact O-N 2.76Å; F69-T72 PolarHBondContact O-OG1 2.99Å; G70-T72 PolarHBondContact O-N 3.46Å; T72-A74 PolarHBondContact O-N 2.96Å; T72-S83 VanDerWaalsContact O-CA 3.26Å; T72-S83 WeakPolarHBondContact O-CA 3.4Å; T72-Y84 WeakPolarHBondContact O-CD2 3.29Å; T72-Y84 PolarHBondContact O-N 2.9Å; T72-Y84 WeakPolarHBondContact OG1-CD2 3.43Å
73	L	98.7	Very high	96.6	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.246	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	122	177.6	-177.9	59.8	0	0	0	110.1	V75 A76 T283 P305	L73-V75 WeakPolarHBondContact CD1-O 3.39Å; L73-A76 HydrophobicContact CD2-CB 4.36Å; L73-T283 HydrophobicContact CD2-CG2 3.78Å; L73-T283 HydrophobicContact CG-CG2 3.8Å; L73-T283 PolarHBondContact O-OG1 3.45Å; L73-T283 VanDerWaalsContact O-OG1 3.1Å; L73-P305 HydrophobicContact CD2-CB 4.19Å; L73-P305 HydrophobicContact CD2-CG 4.07Å
74	A	98.7	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-49.1	176.9	0	0	0	0	0	111	T72 H82 Y84 L87 L278 C284	T72-A74 PolarHBondContact O-N 2.96Å; A74-H82 WeakPolarHBondContact CB-O 3.39Å; A74-H82 PolarHBondContact N-O 3.39Å; A74-Y84 HydrophobicContact CB-CD1 4.07Å; A74-Y84 HydrophobicContact CB-CD2 3.47Å; A74-Y84 VanDerWaalsContact CB-CD2 3.47Å; A74-Y84 HydrophobicContact CB-CE1 4.16Å; A74-Y84 HydrophobicContact CB-CE2 3.54Å; A74-Y84 HydrophobicContact CB-CG 3.74Å; A74-L87 HydrophobicContact CB-CD1 3.57Å; A74-L278 HydrophobicContact CB-CD2 4.13Å; A74-C284 PolarHBondContact O-N 2.83Å
75	V	98.8	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.3	-177.1	177.7	0	0	0	0	109.7	L73 D77 H82 L87 A122 V125 C284 M286	L73-V75 WeakPolarHBondContact CD1-O 3.39Å; V75-D77 HydrophobicContact CG1-CB 4.39Å; V75-H82 HydrophobicContact CB-CB 4.39Å; V75-H82 PolarHBondContact N-O 2.79Å; V75-H82 VanDerWaalsContact N-O 3.09Å; V75-H82 PolarHBondContact O-N 2.91Å; V75-L87 HydrophobicContact CB-CD1 4.36Å; V75-L87 HydrophobicContact CG2-CD1 3.8Å; V75-A122 HydrophobicContact CG1-CB 4.28Å; V75-V125 HydrophobicContact CG2-CG2 4.14Å; V75-C284 CarbonylContact C-O 3.19Å; V75-C284 VanDerWaalsContact CA-O 3.29Å; V75-C284 WeakPolarHBondContact CA-O 3.37Å; V75-C284 HydrophobicContact CG2-CB 4.29Å; V75-M286 HydrophobicContact CG1-CE 4.01Å; V75-M286 HydrophobicContact CG1-CG 4.1Å; V75-M286 HydrophobicContact CG1-SD 4.24Å; V75-M286 HydrophobicContact CG2-CE 3.93Å
76	A	98.4	Very high	97	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.5	165.7	0	0	0	0	0	108.7	L73 G80 C284 V285 M286 P305	L73-A76 HydrophobicContact CD2-CB 4.36Å; A76-G80 WeakPolarHBondContact CA-O 3.31Å; A76-C284 PolarHBondContact N-O 2.92Å; A76-V285 HydrophobicContact CB-CG2 4.41Å; A76-V285 CarbonylContact O-C 3.29Å; A76-V285 WeakPolarHBondContact O-CA 3.46Å; A76-M286 PolarHBondContact O-N 2.78Å; A76-P305 HydrophobicContact CB-CG 4.25Å
77	D	97.4	Very high	97.1	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.123	27%	0.272	C	S	.	.			trans	-137.8	-169.6	-176.2	59.3	42.3	0	0	0	111.2	V75 S79 G80 H82 D121 A122 M286	V75-D77 HydrophobicContact CG1-CB 4.39Å; D77-S79 PolarHBondContact O-N 3.45Å; D77-S79 WeakPolarHBondContact OD1-CA 3.43Å; D77-S79 VanDerWaalsContact OD1-CB 3.26Å; D77-S79 WeakPolarHBondContact OD1-CB 3.1Å; D77-S79 PolarHBondContact OD1-N 3.36Å; D77-G80 PolarHBondContact N-O 2.92Å; D77-G80 PolarHBondContact O-N 3.09Å; D77-G80 PolarHBondContact OD1-N 3.41Å; D77-G80 VanDerWaalsContact OD1-N 3.1Å; D77-H82 IonicContact OD1-CD2 3.86Å; D77-H82 IonicContact OD1-NE2 3.84Å; D77-H82 PolarHBondContact OD1-NE2 3.32Å; D77-H82 IonicContact OD2-CD2 3.15Å; D77-H82 PolarHBondContact OD2-CD2 2.7Å; D77-H82 IonicContact OD2-NE2 3.52Å; D77-H82 PolarHBondContact OD2-NE2 3.04Å; D77-H82 VanDerWaalsContact OD2-NE2 3.13Å; D77-D121 HydrophobicContact CB-CB 3.94Å; D77-D121 WeakPolarHBondContact OD2-CB 3.34Å; D77-A122 WeakPolarHBondContact OD2-CB 3.36Å; D77-A122 PolarHBondContact OD2-N 2.89Å; D77-M286 HydrophobicContact CB-CB 4.28Å
78	S	95.1	Very high	97.2	Very high	97 Å²	97	42 Å²	42	68%	0.678	26%	0.26	S	S	*	.	S	Bend	trans	-66.9	-17	179.3	52.8	0	0	0	0	114.1
79	S	95.4	Very high	97.2	Very high	47 Å²	47	39.7 Å²	39.7	33%	0.329	23%	0.232	S	C	.	.	S	Bend	trans	-96.8	-18.1	-177	-51.2	0	0	0	0	112.2	D77 T189	D77-S79 PolarHBondContact O-N 3.45Å; D77-S79 WeakPolarHBondContact OD1-CA 3.43Å; D77-S79 VanDerWaalsContact OD1-CB 3.26Å; D77-S79 WeakPolarHBondContact OD1-CB 3.1Å; D77-S79 PolarHBondContact OD1-N 3.36Å; S79-T189 WeakPolarHBondContact OG-CB 3.44Å
80	G	95.9	Very high	97.1	Very high	30 Å²	30	37.3 Å²	37.3	31%	0.309	22%	0.222	S	C	.	.			trans	151	-153.2	173.2	0	0	0	0	0	114.3	A76 D77	A76-G80 WeakPolarHBondContact CA-O 3.31Å; D77-G80 PolarHBondContact N-O 2.92Å; D77-G80 PolarHBondContact O-N 3.09Å; D77-G80 PolarHBondContact OD1-N 3.41Å; D77-G80 VanDerWaalsContact OD1-N 3.1Å
81	S	97.6	Very high	97.2	Very high	79 Å²	79	36.3 Å²	36.3	55%	0.552	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.6	176.6	-70.4	0	0	0	0	108.9
82	H	98.3	Very high	97	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.06	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.2	-173.6	-51.4	-89.6	0	0	0	109.3	A74 V75 D77 L87 A122 T189	A74-H82 WeakPolarHBondContact CB-O 3.39Å; A74-H82 PolarHBondContact N-O 3.39Å; V75-H82 HydrophobicContact CB-CB 4.39Å; V75-H82 PolarHBondContact N-O 2.79Å; V75-H82 VanDerWaalsContact N-O 3.09Å; V75-H82 PolarHBondContact O-N 2.91Å; D77-H82 IonicContact OD1-CD2 3.86Å; D77-H82 IonicContact OD1-NE2 3.84Å; D77-H82 PolarHBondContact OD1-NE2 3.32Å; D77-H82 IonicContact OD2-CD2 3.15Å; D77-H82 PolarHBondContact OD2-CD2 2.7Å; D77-H82 IonicContact OD2-NE2 3.52Å; D77-H82 PolarHBondContact OD2-NE2 3.04Å; D77-H82 VanDerWaalsContact OD2-NE2 3.13Å; H82-L87 HydrophobicContact CB-CD2 3.88Å; H82-L87 HydrophobicContact CB-CG 4.15Å; H82-A122 HydrophobicContact CB-CB 4.2Å; H82-A122 VanDerWaalsContact CD2-CB 3.46Å; H82-A122 WeakPolarHBondContact CD2-CB 3.41Å; H82-T189 PolarHBondContact CE1-O 2.84Å
83	S	98.3	Very high	96.8	Very high	8 Å²	8	27.7 Å²	27.7	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	161.5	179	79	0	0	0	0	112.1	E71 T72 K85 Q86 L87	E71-S83 PolarHBondContact OE2-OG 3.42Å; T72-S83 VanDerWaalsContact O-CA 3.26Å; T72-S83 WeakPolarHBondContact O-CA 3.4Å; S83-K85 PolarHBondContact O-N 2.9Å; S83-K85 PolarHBondContact OG-N 3.41Å; S83-Q86 PolarHBondContact O-N 2.99Å; S83-Q86 PolarHBondContact OG-N 2.81Å; S83-Q86 VanDerWaalsContact OG-N 3.15Å; S83-L87 WeakPolarHBondContact O-CG 3.47Å; S83-L87 PolarHBondContact O-N 2.61Å
84	Y	98.6	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-37.4	173.9	-83.4	-90.5	0	0	0	112	A66 F69 G70 T72 A74 Y88 W129 P277 L278 G281 A282	A66-Y84 HydrophobicContact CB-CD1 3.84Å; F69-Y84 HydrophobicContact CB-CD1 4.16Å; F69-Y84 HydrophobicContact CB-CD2 3.73Å; F69-Y84 HydrophobicContact CB-CE2 4.27Å; F69-Y84 HydrophobicContact CB-CG 3.68Å; F69-Y84 AromaticContact CD2-CD1 3.66Å; F69-Y84 HydrophobicContact CD2-CD1 3.66Å; F69-Y84 HydrophobicContact CD2-CD2 4.42Å; F69-Y84 AromaticContact CD2-CE1 3.58Å; F69-Y84 HydrophobicContact CD2-CE1 3.58Å; F69-Y84 HydrophobicContact CD2-CE2 4.39Å; F69-Y84 HydrophobicContact CD2-CG 4.09Å; F69-Y84 AromaticContact CD2-CZ 3.99Å; F69-Y84 HydrophobicContact CE2-CE1 4.18Å; F69-Y84 HydrophobicContact CG-CD1 4.38Å; F69-Y84 HydrophobicContact CG-CD2 4.43Å; F69-Y84 HydrophobicContact CG-CE1 4.46Å; F69-Y84 HydrophobicContact CG-CG 4.35Å; G70-Y84 WeakPolarHBondContact O-CB 3.45Å; G70-Y84 PolarHBondContact O-N 3.15Å; T72-Y84 WeakPolarHBondContact O-CD2 3.29Å; T72-Y84 PolarHBondContact O-N 2.9Å; T72-Y84 WeakPolarHBondContact OG1-CD2 3.43Å; A74-Y84 HydrophobicContact CB-CD1 4.07Å; A74-Y84 HydrophobicContact CB-CD2 3.47Å; A74-Y84 VanDerWaalsContact CB-CD2 3.47Å; A74-Y84 HydrophobicContact CB-CE1 4.16Å; A74-Y84 HydrophobicContact CB-CE2 3.54Å; A74-Y84 HydrophobicContact CB-CG 3.74Å; Y84-Y88 VanDerWaalsContact O-CB 3.25Å; Y84-Y88 WeakPolarHBondContact O-CB 3.17Å; Y84-Y88 PolarHBondContact O-N 3.35Å; Y84-W129 HydrophobicContact CD1-CH2 4.32Å; Y84-P277 PolarHBondContact OH-O 3.1Å; Y84-L278 HydrophobicContact CE1-CB 4.42Å; Y84-L278 HydrophobicContact CE1-CD2 3.68Å; Y84-L278 WeakPolarHBondContact OH-CA 3.46Å; Y84-G281 WeakPolarHBondContact OH-CA 3.28Å; Y84-A282 PolarHBondContact OH-N 2.69Å; Y84-A282 VanDerWaalsContact OH-N 3.17Å; Y84-A282 PolarHBondContact OH-O 2.87Å
85	K	96.4	Very high	96.6	Very high	103 Å²	103	25.6 Å²	25.6	45%	0.448	16%	0.156	S	C	.	.	H	α-helix	trans	-65.6	-47.9	176.7	-177.2	-170.7	171.4	-172.7	0	112	G70 E71 S83 L87 Y88 C89	G70-K85 WeakPolarHBondContact O-CB 3.43Å; G70-K85 PolarHBondContact O-N 3.19Å; E71-K85 WeakPolarHBondContact OE1-CD 3.36Å; E71-K85 IonicContact OE1-NZ 2.73Å; E71-K85 PolarHBondContact OE1-NZ 3.04Å; S83-K85 PolarHBondContact O-N 2.9Å; S83-K85 PolarHBondContact OG-N 3.41Å; K85-L87 PolarHBondContact O-N 3.06Å; K85-Y88 PolarHBondContact O-N 3.37Å; K85-C89 WeakPolarHBondContact O-CB 3.29Å; K85-C89 PolarHBondContact O-N 3.35Å; K85-C89 PolarHBondContact O-SG 2.95Å
86	Q	96	Very high	96.3	Very high	58 Å²	58	26.6 Å²	26.6	27%	0.271	16%	0.164	S	C	.	.	H	α-helix	trans	-57.5	-51.4	177.4	-74.7	174.4	-59.5	0	0	110.8	S83 Y88 C89 S90 D193	S83-Q86 PolarHBondContact O-N 2.99Å; S83-Q86 PolarHBondContact OG-N 2.81Å; S83-Q86 VanDerWaalsContact OG-N 3.15Å; Q86-Y88 VanDerWaalsContact C-N 3.28Å; Q86-Y88 PolarHBondContact O-N 2.72Å; Q86-C89 PolarHBondContact O-N 2.97Å; Q86-S90 WeakPolarHBondContact O-CB 3.19Å; Q86-S90 PolarHBondContact O-N 3.35Å; Q86-S90 PolarHBondContact O-OG 2.9Å; Q86-D193 PolarHBondContact NE2-OD2 3.2Å
87	L	97.7	Very high	96.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-41.9	178.3	-63.6	-179.7	0	0	0	112	A74 V75 H82 S83 K85 S91 A122 V125 V126 W129	A74-L87 HydrophobicContact CB-CD1 3.57Å; V75-L87 HydrophobicContact CB-CD1 4.36Å; V75-L87 HydrophobicContact CG2-CD1 3.8Å; H82-L87 HydrophobicContact CB-CD2 3.88Å; H82-L87 HydrophobicContact CB-CG 4.15Å; S83-L87 WeakPolarHBondContact O-CG 3.47Å; S83-L87 PolarHBondContact O-N 2.61Å; K85-L87 PolarHBondContact O-N 3.06Å; L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.43Å; L87-S91 PolarHBondContact O-N 2.86Å; L87-S91 PolarHBondContact O-OG 2.96Å; L87-A122 HydrophobicContact CD2-CB 3.73Å; L87-V125 HydrophobicContact CD1-CB 4.38Å; L87-V125 HydrophobicContact CD1-CG1 4.04Å; L87-V126 HydrophobicContact CD2-CG2 4.03Å; L87-W129 HydrophobicContact CB-CE3 4.28Å; L87-W129 HydrophobicContact CB-CH2 4.34Å; L87-W129 HydrophobicContact CB-CZ3 3.69Å
88	Y	96.4	Very high	96.1	Very high	30 Å²	30	28.9 Å²	28.9	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-49.4	178.2	-175.1	-94.4	0	0	0	112.2	F63 A66 P67 Y84 K85 Q86 S91 L92 M133 E206	F63-Y88 HydrophobicContact CD2-CE2 4.08Å; A66-Y88 HydrophobicContact CB-CD2 4.04Å; A66-Y88 HydrophobicContact CB-CG 4.48Å; P67-Y88 HydrophobicContact CG-CD1 4.2Å; P67-Y88 HydrophobicContact CG-CD2 3.9Å; P67-Y88 HydrophobicContact CG-CE1 3.95Å; P67-Y88 HydrophobicContact CG-CE2 3.62Å; P67-Y88 HydrophobicContact CG-CG 4.19Å; Y84-Y88 VanDerWaalsContact O-CB 3.25Å; Y84-Y88 WeakPolarHBondContact O-CB 3.17Å; Y84-Y88 PolarHBondContact O-N 3.35Å; K85-Y88 PolarHBondContact O-N 3.37Å; Q86-Y88 VanDerWaalsContact C-N 3.28Å; Q86-Y88 PolarHBondContact O-N 2.72Å; Y88-S91 WeakPolarHBondContact O-CB 3.45Å; Y88-S91 PolarHBondContact O-N 3.17Å; Y88-L92 HydrophobicContact CD1-CD1 3.82Å; Y88-L92 HydrophobicContact CD1-CG 4.39Å; Y88-L92 HydrophobicContact CE1-CD1 3.35Å; Y88-L92 HydrophobicContact CE1-CG 4.09Å; Y88-L92 WeakPolarHBondContact O-CG 3.46Å; Y88-L92 PolarHBondContact O-N 3.19Å; Y88-M133 HydrophobicContact CD2-CE 3.49Å; Y88-M133 VanDerWaalsContact CD2-CE 3.49Å; Y88-M133 HydrophobicContact CE2-CE 3.43Å; Y88-M133 VanDerWaalsContact CE2-CE 3.43Å; Y88-M133 HydrophobicContact CG-CE 4.23Å; Y88-E206 PolarHBondContact OH-OE1 3.19Å; Y88-E206 PolarHBondContact OH-OE2 3.45Å
89	C	94.6	Very high	96.1	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.162	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-49	178.7	-72.2	0	0	0	0	112	K85 Q86 S91 L92 G93 D196	K85-C89 WeakPolarHBondContact O-CB 3.29Å; K85-C89 PolarHBondContact O-N 3.35Å; K85-C89 PolarHBondContact O-SG 2.95Å; Q86-C89 PolarHBondContact O-N 2.97Å; C89-S91 VanDerWaalsContact C-N 3.25Å; C89-S91 PolarHBondContact O-N 2.93Å; C89-L92 WeakPolarHBondContact O-CB 3.16Å; C89-L92 PolarHBondContact O-N 3.02Å; C89-L92 VanDerWaalsContact O-N 3.07Å; C89-G93 PolarHBondContact O-N 3.37Å; C89-D196 WeakPolarHBondContact CB-OD1 2.84Å
90	S	95.9	Very high	96	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-37.5	175.9	-61.3	0	0	0	0	112.2	Q86 G93 L94 L192	Q86-S90 WeakPolarHBondContact O-CB 3.19Å; Q86-S90 PolarHBondContact O-N 3.35Å; Q86-S90 PolarHBondContact O-OG 2.9Å; S90-G93 PolarHBondContact O-N 3.38Å; S90-L94 PolarHBondContact O-N 3.34Å; S90-L192 PolarHBondContact OG-O 3.19Å
91	S	97	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-39.1	174.7	-70.9	0	0	0	0	113.2	L87 Y88 C89 L94 A95 V126 W129 A130 M133	L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.43Å; L87-S91 PolarHBondContact O-N 2.86Å; L87-S91 PolarHBondContact O-OG 2.96Å; Y88-S91 WeakPolarHBondContact O-CB 3.45Å; Y88-S91 PolarHBondContact O-N 3.17Å; C89-S91 VanDerWaalsContact C-N 3.25Å; C89-S91 PolarHBondContact O-N 2.93Å; S91-L94 PolarHBondContact O-N 2.86Å; S91-A95 VanDerWaalsContact O-CB 3.26Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 3.4Å; S91-V126 VanDerWaalsContact OG-CA 3.3Å; S91-V126 WeakPolarHBondContact OG-CA 3.17Å; S91-V126 PolarHBondContact OG-O 3.13Å; S91-V126 VanDerWaalsContact OG-O 3.11Å; S91-W129 WeakPolarHBondContact OG-CB 3.46Å; S91-A130 VanDerWaalsContact O-CB 3.25Å; S91-A130 WeakPolarHBondContact O-CB 3.18Å; S91-M133 VanDerWaalsContact CB-SD 3.54Å
92	L	94.3	Very high	96	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-45.8	174.6	-71.8	174.9	0	0	0	111.3	Y88 C89 L94 A95 S96 F106 M133 T200 E206	Y88-L92 HydrophobicContact CD1-CD1 3.82Å; Y88-L92 HydrophobicContact CD1-CG 4.39Å; Y88-L92 HydrophobicContact CE1-CD1 3.35Å; Y88-L92 HydrophobicContact CE1-CG 4.09Å; Y88-L92 WeakPolarHBondContact O-CG 3.46Å; Y88-L92 PolarHBondContact O-N 3.19Å; C89-L92 WeakPolarHBondContact O-CB 3.16Å; C89-L92 PolarHBondContact O-N 3.02Å; C89-L92 VanDerWaalsContact O-N 3.07Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L92-L94 PolarHBondContact O-N 2.84Å; L92-A95 WeakPolarHBondContact O-CB 3.27Å; L92-A95 PolarHBondContact O-N 3.43Å; L92-A95 VanDerWaalsContact O-N 3.14Å; L92-S96 PolarHBondContact O-N 2.97Å; L92-S96 PolarHBondContact O-OG 3.33Å; L92-F106 HydrophobicContact CD2-CE2 4.45Å; L92-F106 HydrophobicContact CD2-CZ 3.8Å; L92-M133 HydrophobicContact CD2-CE 4.09Å; L92-M133 HydrophobicContact CD2-CG 4.42Å; L92-M133 HydrophobicContact CD2-SD 3.61Å; L92-M133 HydrophobicContact CG-CE 4.22Å; L92-M133 HydrophobicContact CG-SD 3.99Å; L92-T200 HydrophobicContact CD1-CG2 3.92Å; L92-E206 VanDerWaalsContact CD1-OE1 3.31Å; L92-E206 WeakPolarHBondContact CD1-OE1 3.47Å; L92-E206 WeakPolarHBondContact CD2-OE1 3.36Å
93	G	94	Very high	95.8	Very high	2 Å²	2	30 Å²	30	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-55.9	-47.7	175.3	0	0	0	0	0	112.4	C89 S90 S96 R97 L195	C89-G93 PolarHBondContact O-N 3.37Å; S90-G93 PolarHBondContact O-N 3.38Å; G93-S96 PolarHBondContact O-N 2.88Å; G93-R97 WeakPolarHBondContact O-CG 3.45Å; G93-R97 PolarHBondContact O-N 3.47Å; G93-L195 VanDerWaalsContact CA-O 3.28Å; G93-L195 WeakPolarHBondContact CA-O 3.36Å
94	L	96.4	Very high	95.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-39.5	174.9	177.7	64.5	0	0	0	112.3	S90 S91 L92 S96 R97 I98 V126 A127 A130 V163 L184 L186 L195	S90-L94 PolarHBondContact O-N 3.34Å; S91-L94 PolarHBondContact O-N 2.86Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L92-L94 PolarHBondContact O-N 2.84Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.01Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.5Å; L94-R97 VanDerWaalsContact O-N 3.1Å; L94-I98 HydrophobicContact CD1-CD1 4.43Å; L94-I98 HydrophobicContact CD1-CG1 4.25Å; L94-I98 HydrophobicContact CD2-CD1 4.36Å; L94-I98 HydrophobicContact CG-CD1 3.96Å; L94-I98 HydrophobicContact CG-CG1 4.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 2.88Å; L94-V126 HydrophobicContact CB-CG1 4.39Å; L94-V126 HydrophobicContact CD2-CG1 4.19Å; L94-A127 HydrophobicContact CD2-CB 4.39Å; L94-A130 HydrophobicContact CB-CB 3.66Å; L94-A130 HydrophobicContact CD2-CB 3.47Å; L94-A130 VanDerWaalsContact CD2-CB 3.47Å; L94-A130 HydrophobicContact CG-CB 3.54Å; L94-V163 HydrophobicContact CD2-CG1 4.19Å; L94-L184 HydrophobicContact CD1-CD1 4.27Å; L94-L186 HydrophobicContact CD1-CD2 4.31Å; L94-L186 HydrophobicContact CD2-CD2 3.89Å; L94-L195 HydrophobicContact CB-CD1 4.38Å
95	A	95.6	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-41.9	178.4	0	0	0	0	0	111.7	S91 L92 R97 I98 S99 F106 A130 M133	S91-A95 VanDerWaalsContact O-CB 3.26Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 3.4Å; L92-A95 WeakPolarHBondContact O-CB 3.27Å; L92-A95 PolarHBondContact O-N 3.43Å; L92-A95 VanDerWaalsContact O-N 3.14Å; A95-R97 VanDerWaalsContact C-N 3.34Å; A95-R97 PolarHBondContact O-N 3.34Å; A95-I98 PolarHBondContact O-N 3.32Å; A95-S99 PolarHBondContact O-N 3.17Å; A95-F106 HydrophobicContact CB-CD2 4.48Å; A95-F106 HydrophobicContact CB-CE2 3.59Å; A95-F106 HydrophobicContact CB-CZ 4.12Å; A95-A130 HydrophobicContact CB-CB 4.22Å; A95-A130 WeakPolarHBondContact CB-O 3.42Å; A95-M133 HydrophobicContact CB-CB 3.77Å
96	S	93.2	Very high	94.2	Very high	22 Å²	22	30.1 Å²	30.1	15%	0.154	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-42.1	173.3	-65.5	0	0	0	0	112.1	L92 G93 L94 S99 A100	L92-S96 PolarHBondContact O-N 2.97Å; L92-S96 PolarHBondContact O-OG 3.33Å; G93-S96 PolarHBondContact O-N 2.88Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.01Å; S96-S99 PolarHBondContact O-N 3.41Å; S96-A100 WeakPolarHBondContact O-CB 3.48Å; S96-A100 PolarHBondContact O-N 2.98Å
97	R	95.1	Very high	93.6	Very high	82 Å²	82	27.5 Å²	27.5	31%	0.309	17%	0.168	S	C	.	.	H	α-helix	trans	-65.5	-39.9	175.5	-64.9	177.8	-170	-161.2	2.5	112.3	G93 L94 A95 A100 A101 L184 A194 L195 I198	G93-R97 WeakPolarHBondContact O-CG 3.45Å; G93-R97 PolarHBondContact O-N 3.47Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.5Å; L94-R97 VanDerWaalsContact O-N 3.1Å; A95-R97 VanDerWaalsContact C-N 3.34Å; A95-R97 PolarHBondContact O-N 3.34Å; R97-A100 PolarHBondContact O-N 3.08Å; R97-A101 VanDerWaalsContact O-CB 3.3Å; R97-A101 WeakPolarHBondContact O-CB 3.48Å; R97-A101 PolarHBondContact O-N 3.21Å; R97-L184 HydrophobicContact CB-CD1 4.01Å; R97-A194 PolarHBondContact NH2-O 3.39Å; R97-L195 VanDerWaalsContact CZ-CD2 3.47Å; R97-I198 HydrophobicContact CG-CD1 3.6Å; R97-I198 VanDerWaalsContact NE-CD1 3.3Å
98	I	96.6	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-48.8	175.3	-67.9	168.9	0	0	0	110	L94 A95 A100 A101 L102 L109 I114 A130 L161 V163 L184	L94-I98 HydrophobicContact CD1-CD1 4.43Å; L94-I98 HydrophobicContact CD1-CG1 4.25Å; L94-I98 HydrophobicContact CD2-CD1 4.36Å; L94-I98 HydrophobicContact CG-CD1 3.96Å; L94-I98 HydrophobicContact CG-CG1 4.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 2.88Å; A95-I98 PolarHBondContact O-N 3.32Å; I98-A100 PolarHBondContact O-N 3.15Å; I98-A101 PolarHBondContact O-N 3.41Å; I98-L102 HydrophobicContact CG2-CD1 4.13Å; I98-L102 PolarHBondContact O-N 3.31Å; I98-L102 VanDerWaalsContact O-N 3.12Å; I98-L109 HydrophobicContact CG2-CD1 3.8Å; I98-I114 HydrophobicContact CD1-CG2 4.36Å; I98-I114 HydrophobicContact CG2-CD1 3.83Å; I98-I114 HydrophobicContact CG2-CG1 4.34Å; I98-A130 HydrophobicContact CD1-CB 3.97Å; I98-L161 HydrophobicContact CG1-CD2 4.3Å; I98-V163 HydrophobicContact CD1-CG2 4.36Å; I98-L184 HydrophobicContact CB-CD1 4.49Å; I98-L184 HydrophobicContact CG1-CD1 3.86Å
99	S	94.6	Very high	92.8	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.035	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-44.8	178	-80.2	0	0	0	0	111.9	A95 S96 L102 N103 S104 G105	A95-S99 PolarHBondContact O-N 3.17Å; S96-S99 PolarHBondContact O-N 3.41Å; S99-L102 CarbonylContact O-C 3.54Å; S99-L102 PolarHBondContact O-N 3.36Å; S99-N103 PolarHBondContact O-N 3.41Å; S99-N103 VanDerWaalsContact O-N 3.15Å; S99-S104 CarbonylContact C-O 3.41Å; S99-S104 WeakPolarHBondContact CB-O 3.43Å; S99-S104 PolarHBondContact O-N 3.13Å; S99-G105 PolarHBondContact OG-O 3.27Å
100	A	94.2	Very high	92.5	Very high	68 Å²	68	35 Å²	35	56%	0.562	21%	0.213	S	C	*	.	H	α-helix	trans	-62	-47.3	176.2	0	0	0	0	0	112.4	S96 R97 I98 L102 N103	S96-A100 WeakPolarHBondContact O-CB 3.48Å; S96-A100 PolarHBondContact O-N 2.98Å; R97-A100 PolarHBondContact O-N 3.08Å; I98-A100 PolarHBondContact O-N 3.15Å; A100-L102 PolarHBondContact O-N 3.46Å; A100-N103 PolarHBondContact O-N 3.08Å; A100-N103 VanDerWaalsContact O-N 3.11Å
101	A	96	Very high	92.3	Very high	38 Å²	38	35.4 Å²	35.4	31%	0.314	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-24.2	179.4	0	0	0	0	0	113.4	R97 I98 L161 L184	R97-A101 VanDerWaalsContact O-CB 3.3Å; R97-A101 WeakPolarHBondContact O-CB 3.48Å; R97-A101 PolarHBondContact O-N 3.21Å; I98-A101 PolarHBondContact O-N 3.41Å; A101-L161 HydrophobicContact CB-CD1 3.52Å; A101-L184 HydrophobicContact CB-CD1 4.36Å; A101-L184 HydrophobicContact CB-CD2 4.25Å
102	L	96.4	Very high	92.2	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	6	178.4	-70.1	177.8	0	0	0	114.1	I98 S99 A100 S104 L109 R112 I114 S160 L161 P182	I98-L102 HydrophobicContact CG2-CD1 4.13Å; I98-L102 PolarHBondContact O-N 3.31Å; I98-L102 VanDerWaalsContact O-N 3.12Å; S99-L102 CarbonylContact O-C 3.54Å; S99-L102 PolarHBondContact O-N 3.36Å; A100-L102 PolarHBondContact O-N 3.46Å; L102-S104 PolarHBondContact O-N 2.81Å; L102-S104 PolarHBondContact O-OG 2.82Å; L102-L109 HydrophobicContact CB-CD2 3.95Å; L102-L109 HydrophobicContact CD1-CD1 3.99Å; L102-L109 HydrophobicContact CD1-CD2 3.54Å; L102-L109 HydrophobicContact CD1-CG 4.44Å; L102-L109 HydrophobicContact CG-CD2 4.4Å; L102-R112 PolarHBondContact O-NH1 3.39Å; L102-I114 HydrophobicContact CD1-CD1 3.78Å; L102-S160 WeakPolarHBondContact CD2-O 3.23Å; L102-L161 HydrophobicContact CD1-CB 4.13Å; L102-L161 HydrophobicContact CD1-CD1 4.44Å; L102-L161 HydrophobicContact CD2-CB 4.12Å; L102-L161 HydrophobicContact CD2-CD1 4.42Å; L102-L161 HydrophobicContact CG-CB 4.26Å; L102-L161 HydrophobicContact CG-CD1 4.03Å; L102-P182 HydrophobicContact CD2-CG 4.19Å
103	N	94.1	Very high	92.4	Very high	157 Å²	157	41.2 Å²	41.2	84%	0.84	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	43.6	-175.8	-59.7	-62.1	0	0	0	112.6	S99 A100	S99-N103 PolarHBondContact O-N 3.41Å; S99-N103 VanDerWaalsContact O-N 3.15Å; A100-N103 PolarHBondContact O-N 3.08Å; A100-N103 VanDerWaalsContact O-N 3.11Å
104	S	90	Very high	92.6	Very high	23 Å²	23	41.1 Å²	41.1	16%	0.161	24%	0.238	C	C	.	.			trans	-122.5	154.1	-178	-63.5	0	0	0	0	110.8	S99 L102 R112	S99-S104 CarbonylContact C-O 3.41Å; S99-S104 WeakPolarHBondContact CB-O 3.43Å; S99-S104 PolarHBondContact O-N 3.13Å; L102-S104 PolarHBondContact O-N 2.81Å; L102-S104 PolarHBondContact O-OG 2.82Å; S104-R112 PolarHBondContact OG-NH1 3.27Å; S104-R112 PolarHBondContact OG-NH2 3.14Å; S104-R112 VanDerWaalsContact OG-NH2 3.15Å
105	G	86.1	Confident	92.8	Very high	43 Å²	43	41 Å²	41	44%	0.443	24%	0.237	S	C	.	.			trans	-62.1	158	167.7	0	0	0	0	0	112.4	S99 G107 C108	S99-G105 PolarHBondContact OG-O 3.27Å; G105-G107 PolarHBondContact O-N 2.92Å; G105-C108 PolarHBondContact O-N 2.92Å
106	F	85	Confident	92.9	Very high	48 Å²	48	41 Å²	41	21%	0.211	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	130.9	173.3	-172.8	-87.2	0	0	0	110.2	L92 A95 C108 M133 P201	L92-F106 HydrophobicContact CD2-CE2 4.45Å; L92-F106 HydrophobicContact CD2-CZ 3.8Å; A95-F106 HydrophobicContact CB-CD2 4.48Å; A95-F106 HydrophobicContact CB-CE2 3.59Å; A95-F106 HydrophobicContact CB-CZ 4.12Å; F106-C108 PolarHBondContact O-N 2.83Å; F106-C108 PolarHBondContact O-SG 2.95Å; F106-M133 HydrophobicContact CZ-CB 4.13Å; F106-P201 HydrophobicContact CD1-CB 4.45Å; F106-P201 HydrophobicContact CD1-CG 4.45Å; F106-P201 HydrophobicContact CD2-CB 4.47Å; F106-P201 HydrophobicContact CD2-CG 3.72Å; F106-P201 HydrophobicContact CE1-CB 4.45Å; F106-P201 HydrophobicContact CE1-CG 4.3Å; F106-P201 HydrophobicContact CE2-CB 4.46Å; F106-P201 HydrophobicContact CE2-CG 3.52Å; F106-P201 HydrophobicContact CG-CB 4.46Å; F106-P201 HydrophobicContact CG-CG 4.19Å; F106-P201 HydrophobicContact CZ-CB 4.45Å; F106-P201 HydrophobicContact CZ-CG 3.84Å
107	G	83.4	Confident	93.2	Very high	2 Å²	2	40 Å²	40	2%	0.021	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	3.7	-179.3	0	0	0	0	0	115.7	G105 M133 S134 N209	G105-G107 PolarHBondContact O-N 2.92Å; G107-M133 WeakPolarHBondContact CA-O 3.46Å; G107-S134 CarbonylContact C-O 3.49Å; G107-S134 VanDerWaalsContact C-O 3.26Å; G107-S134 VanDerWaalsContact CA-C 3.46Å; G107-S134 VanDerWaalsContact CA-O 3.28Å; G107-S134 WeakPolarHBondContact CA-O 3.22Å; G107-N209 PolarHBondContact O-ND2 3.04Å
108	C	86.6	Confident	93.3	Very high	66 Å²	66	36.7 Å²	36.7	45%	0.446	22%	0.219	S	C	.	.			trans	-110.4	32.4	-173.5	-58.4	0	0	0	0	113.2	G105 F106 D110 S134	G105-C108 PolarHBondContact O-N 2.92Å; F106-C108 PolarHBondContact O-N 2.83Å; F106-C108 PolarHBondContact O-SG 2.95Å; C108-D110 VanDerWaalsContact C-N 3.26Å; C108-D110 PolarHBondContact O-N 3.44Å; C108-S134 PolarHBondContact N-O 3.38Å
109	L	89.5	Confident	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.224	C	C	.	.			trans	-78.1	-6.8	175.2	-72.4	-174	0	0	0	114.4	I98 L102 G111 R112 I114 S134	I98-L109 HydrophobicContact CG2-CD1 3.8Å; L102-L109 HydrophobicContact CB-CD2 3.95Å; L102-L109 HydrophobicContact CD1-CD1 3.99Å; L102-L109 HydrophobicContact CD1-CD2 3.54Å; L102-L109 HydrophobicContact CD1-CG 4.44Å; L102-L109 HydrophobicContact CG-CD2 4.4Å; L109-G111 PolarHBondContact O-N 2.71Å; L109-G111 VanDerWaalsContact O-N 3.08Å; L109-R112 HydrophobicContact CB-CB 4.31Å; L109-R112 WeakPolarHBondContact O-CB 3.11Å; L109-R112 VanDerWaalsContact O-CG 3.23Å; L109-R112 WeakPolarHBondContact O-CG 3.49Å; L109-R112 PolarHBondContact O-N 2.93Å; L109-I114 HydrophobicContact CD1-CD1 4.02Å; L109-I114 HydrophobicContact CD1-CG1 4.32Å; L109-S134 VanDerWaalsContact CB-O 3.25Å; L109-S134 WeakPolarHBondContact CB-O 3.42Å; L109-S134 WeakPolarHBondContact CD1-OG 3.43Å; L109-S134 WeakPolarHBondContact CG-O 3.46Å; L109-S134 PolarHBondContact N-O 3.35Å; L109-S134 VanDerWaalsContact N-O 3.16Å
110	D	88.6	Confident	93.2	Very high	147 Å²	147	38 Å²	38	79%	0.786	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	37.8	176.5	-57.5	-31.1	0	0	0	113.7	C108	C108-D110 VanDerWaalsContact C-N 3.26Å; C108-D110 PolarHBondContact O-N 3.44Å
111	G	90.9	Very high	93.4	Very high	10 Å²	10	35.2 Å²	35.2	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	15.1	179.6	0	0	0	0	0	115.3	L109 R113 G135 T137	L109-G111 PolarHBondContact O-N 2.71Å; L109-G111 VanDerWaalsContact O-N 3.08Å; G111-R113 PolarHBondContact O-NH1 3.37Å; G111-G135 PolarHBondContact N-O 3.41Å; G111-T137 PolarHBondContact O-OG1 2.67Å
112	R	96.4	Very high	93.5	Very high	89 Å²	89	33.4 Å²	33.4	34%	0.336	19%	0.187	S	C	.	.			trans	-51.9	141.2	167.1	-76	-178.2	-141.9	177.5	9.5	110.6	L102 S104 L109 G136 T137	L102-R112 PolarHBondContact O-NH1 3.39Å; S104-R112 PolarHBondContact OG-NH1 3.27Å; S104-R112 PolarHBondContact OG-NH2 3.14Å; S104-R112 VanDerWaalsContact OG-NH2 3.15Å; L109-R112 HydrophobicContact CB-CB 4.31Å; L109-R112 WeakPolarHBondContact O-CB 3.11Å; L109-R112 VanDerWaalsContact O-CG 3.23Å; L109-R112 WeakPolarHBondContact O-CG 3.49Å; L109-R112 PolarHBondContact O-N 2.93Å; R112-G136 CarbonylContact O-C 3.56Å; R112-G136 VanDerWaalsContact O-CA 3.23Å; R112-G136 WeakPolarHBondContact O-CA 3.27Å; R112-T137 PolarHBondContact O-N 2.88Å
113	R	98.4	Very high	93.6	Very high	39 Å²	39	32.4 Å²	32.4	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.8	-173.3	-80.2	69.1	57	-157	-3.5	111.2	G111 T137 V139 S157 Q158 S159 S160 I219	G111-R113 PolarHBondContact O-NH1 3.37Å; R113-T137 CarbonylContact C-O 3.49Å; R113-T137 VanDerWaalsContact CA-O 3.23Å; R113-T137 WeakPolarHBondContact CA-O 3.45Å; R113-T137 HydrophobicContact CG-CG2 4.38Å; R113-V139 HydrophobicContact CB-CG2 3.9Å; R113-V139 HydrophobicContact CG-CG2 3.81Å; R113-S157 WeakPolarHBondContact CG-O 3.44Å; R113-S157 PolarHBondContact NE-O 3.48Å; R113-Q158 PolarHBondContact NE-O 2.73Å; R113-Q158 PolarHBondContact NH2-O 3.27Å; R113-S159 WeakPolarHBondContact O-CA 3.17Å; R113-S160 PolarHBondContact O-N 2.86Å; R113-I219 HydrophobicContact CG-CD1 3.77Å
114	I	98.7	Very high	93.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.7	174.7	-49.5	-60.1	0	0	0	107.5	I98 L102 L109 T137 V138 V139 L161 V163	I98-I114 HydrophobicContact CD1-CG2 4.36Å; I98-I114 HydrophobicContact CG2-CD1 3.83Å; I98-I114 HydrophobicContact CG2-CG1 4.34Å; L102-I114 HydrophobicContact CD1-CD1 3.78Å; L109-I114 HydrophobicContact CD1-CD1 4.02Å; L109-I114 HydrophobicContact CD1-CG1 4.32Å; I114-T137 PolarHBondContact N-O 3.37Å; I114-V138 WeakPolarHBondContact O-CA 3.36Å; I114-V139 PolarHBondContact O-N 2.87Å; I114-L161 HydrophobicContact CD1-CB 3.95Å; I114-L161 HydrophobicContact CG2-CD2 4.02Å; I114-V163 HydrophobicContact CG2-CG2 3.87Å
115	S	98.8	Very high	94.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.8	174.1	-84.4	0	0	0	0	109.7	V139 S159 L161 L162 V163	S115-V139 WeakPolarHBondContact CA-O 3.35Å; S115-V139 WeakPolarHBondContact OG-CB 3.32Å; S115-S159 WeakPolarHBondContact CB-OG 3.36Å; S115-S159 PolarHBondContact OG-OG 2.8Å; S115-L161 PolarHBondContact N-O 3.25Å; S115-L161 VanDerWaalsContact N-O 3.11Å; S115-L162 CarbonylContact O-C 3.57Å; S115-L162 VanDerWaalsContact O-CA 3.28Å; S115-L162 WeakPolarHBondContact O-CA 3.23Å; S115-V163 PolarHBondContact O-N 2.96Å
116	F	98.8	Very high	94.8	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.1	-180	68.7	-78.2	0	0	0	112.2	C118 Y124 A127 Q128 V138 V139 P140 L141 V163	F116-C118 HydrophobicContact CD2-CB 4.31Å; F116-Y124 HydrophobicContact CD2-CD2 4.4Å; F116-Y124 HydrophobicContact CD2-CE2 4.45Å; F116-Y124 HydrophobicContact CE2-CD1 4.33Å; F116-Y124 AromaticContact CE2-CD2 3.49Å; F116-Y124 HydrophobicContact CE2-CD2 3.49Å; F116-Y124 VanDerWaalsContact CE2-CD2 3.49Å; F116-Y124 HydrophobicContact CE2-CE1 4.22Å; F116-Y124 AromaticContact CE2-CE2 3.33Å; F116-Y124 HydrophobicContact CE2-CE2 3.33Å; F116-Y124 AromaticContact CE2-CG 3.98Å; F116-Y124 HydrophobicContact CE2-CG 3.98Å; F116-Y124 AromaticContact CE2-CZ 3.72Å; F116-Y124 HydrophobicContact CZ-CD2 4.25Å; F116-Y124 HydrophobicContact CZ-CE1 4.18Å; F116-Y124 AromaticContact CZ-CE2 3.64Å; F116-Y124 HydrophobicContact CZ-CE2 3.64Å; F116-Y124 AromaticContact CZ-CZ 3.6Å; F116-A127 HydrophobicContact CB-CB 4.16Å; F116-A127 HydrophobicContact CD2-CB 3.65Å; F116-A127 HydrophobicContact CE2-CB 4.23Å; F116-A127 HydrophobicContact CG-CB 4.02Å; F116-Q128 HydrophobicContact CZ-CB 4.16Å; F116-V138 HydrophobicContact CD1-CB 4.32Å; F116-V138 HydrophobicContact CE1-CB 3.8Å; F116-V138 HydrophobicContact CE1-CG2 4.15Å; F116-V139 PolarHBondContact N-O 3.41Å; F116-V139 VanDerWaalsContact N-O 3.12Å; F116-P140 HydrophobicContact CE1-CB 3.86Å; F116-P140 HydrophobicContact CE2-CB 4.42Å; F116-P140 HydrophobicContact CZ-CB 3.7Å; F116-L141 VanDerWaalsContact O-CB 3.31Å; F116-L141 WeakPolarHBondContact O-CB 3.29Å; F116-L141 PolarHBondContact O-N 3.3Å; F116-V163 CarbonylContact C-O 3.52Å; F116-V163 WeakPolarHBondContact CA-O 3.38Å; F116-V163 HydrophobicContact CB-CB 3.85Å
117	L	98.3	Very high	95.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.8	175.6	-175.1	57.9	0	0	0	108.8	L141 R143 L150 V163 A165 Y168 T171 L172	L117-L141 HydrophobicContact CB-CB 4.15Å; L117-L141 HydrophobicContact CB-CD1 4.35Å; L117-L141 HydrophobicContact CD1-CB 3.91Å; L117-R143 HydrophobicContact CD1-CB 4.01Å; L117-L150 HydrophobicContact CD2-CD1 4.47Å; L117-V163 PolarHBondContact N-O 3.08Å; L117-A165 WeakPolarHBondContact O-CB 3.39Å; L117-A165 PolarHBondContact O-N 3.1Å; L117-Y168 HydrophobicContact CD2-CD2 4.38Å; L117-Y168 HydrophobicContact CD2-CG 3.99Å; L117-Y168 HydrophobicContact CG-CD2 3.76Å; L117-Y168 HydrophobicContact CG-CG 3.89Å; L117-T171 HydrophobicContact CD2-CG2 4.44Å; L117-L172 HydrophobicContact CB-CD1 3.36Å; L117-L172 HydrophobicContact CB-CG 4Å; L117-L172 HydrophobicContact CD2-CD1 4.32Å; L117-L172 HydrophobicContact CD2-CG 4.03Å; L117-L172 HydrophobicContact CG-CD1 4.45Å
118	C	97.2	Very high	96.2	Very high	11 Å²	11	19.6 Å²	19.6	7%	0.074	10%	0.104	C	C	.	.			trans	-131.7	152.5	-179.2	-67.2	0	0	0	0	110.5	F116 S123 Y124 A165	F116-C118 HydrophobicContact CD2-CB 4.31Å; C118-S123 WeakPolarHBondContact CB-OG 3.41Å; C118-S123 PolarHBondContact SG-OG 3.22Å; C118-S123 VanDerWaalsContact SG-OG 3.39Å; C118-Y124 HydrophobicContact CB-CD2 4.14Å; C118-Y124 HydrophobicContact CB-CG 4.47Å; C118-A165 HydrophobicContact CB-CB 4.25Å
119	P	95.3	Very high	96.7	Very high	14 Å²	14	16.5 Å²	16.5	9%	0.091	8%	0.083	C	C	.	.			trans	-74.5	179.7	172.6	29.4	-30.7	0	0	0	110.2	D121 Y168	P119-D121 VanDerWaalsContact CG-CG 3.49Å; P119-D121 VanDerWaalsContact CG-OD2 3.25Å; P119-D121 WeakPolarHBondContact CG-OD2 3.36Å; P119-D121 PolarHBondContact O-N 3.35Å; P119-Y168 HydrophobicContact CB-CE2 3.98Å; P119-Y168 HydrophobicContact CG-CE2 4.18Å
120	N	94.4	Very high	97.1	Very high	19 Å²	19	16.5 Å²	16.5	10%	0.102	8%	0.083	C	C	.	.	S	Bend	trans	-79.1	75.6	171.9	-78.8	16.2	0	0	0	109.8	L262 L264 M286	N120-L262 PolarHBondContact ND2-O 3.35Å; N120-L264 HydrophobicContact CB-CD1 4.38Å; N120-L264 WeakPolarHBondContact OD1-CG 3.36Å; N120-M286 WeakPolarHBondContact O-CB 3.29Å
121	D	97.7	Very high	97.5	Very high	9 Å²	9	9.5 Å²	9.5	5%	0.048	5%	0.045	C	C	.	.	S	Bend	trans	-153.9	-172.8	178.5	73.2	6.3	0	0	0	111.6	D77 P119 S123 Y124 T189	D77-D121 HydrophobicContact CB-CB 3.94Å; D77-D121 WeakPolarHBondContact OD2-CB 3.34Å; P119-D121 VanDerWaalsContact CG-CG 3.49Å; P119-D121 VanDerWaalsContact CG-OD2 3.25Å; P119-D121 WeakPolarHBondContact CG-OD2 3.36Å; P119-D121 PolarHBondContact O-N 3.35Å; D121-S123 PolarHBondContact O-N 3.16Å; D121-S123 VanDerWaalsContact OD1-CB 3.23Å; D121-S123 WeakPolarHBondContact OD1-CB 3.38Å; D121-S123 PolarHBondContact OD1-N 3.01Å; D121-S123 PolarHBondContact OD1-OG 2.79Å; D121-Y124 WeakPolarHBondContact O-CB 3.45Å; D121-Y124 PolarHBondContact O-N 3.2Å; D121-T189 HydrophobicContact CB-CG2 4.1Å; D121-T189 WeakPolarHBondContact OD2-CB 3.42Å; D121-T189 WeakPolarHBondContact OD2-CG2 3.44Å; D121-T189 PolarHBondContact OD2-OG1 3.28Å
122	A	98.4	Very high	97.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56	-28.8	178.3	0	0	0	0	0	114.8	V75 D77 H82 L87 Y124 V125 V126 T189 L192	V75-A122 HydrophobicContact CG1-CB 4.28Å; D77-A122 WeakPolarHBondContact OD2-CB 3.36Å; D77-A122 PolarHBondContact OD2-N 2.89Å; H82-A122 HydrophobicContact CB-CB 4.2Å; H82-A122 VanDerWaalsContact CD2-CB 3.46Å; H82-A122 WeakPolarHBondContact CD2-CB 3.41Å; L87-A122 HydrophobicContact CD2-CB 3.73Å; A122-Y124 PolarHBondContact O-N 3Å; A122-V125 PolarHBondContact O-N 3.04Å; A122-V125 VanDerWaalsContact O-N 3.09Å; A122-V126 PolarHBondContact O-N 3.49Å; A122-T189 HydrophobicContact CB-CG2 3.92Å; A122-L192 HydrophobicContact CB-CD1 3.79Å
123	S	98.3	Very high	97.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.7	-31.2	-178.1	105.9	0	0	0	0	111.6	C118 D121 V126 A127	C118-S123 WeakPolarHBondContact CB-OG 3.41Å; C118-S123 PolarHBondContact SG-OG 3.22Å; C118-S123 VanDerWaalsContact SG-OG 3.39Å; D121-S123 PolarHBondContact O-N 3.16Å; D121-S123 VanDerWaalsContact OD1-CB 3.23Å; D121-S123 WeakPolarHBondContact OD1-CB 3.38Å; D121-S123 PolarHBondContact OD1-N 3.01Å; D121-S123 PolarHBondContact OD1-OG 2.79Å; S123-V126 PolarHBondContact O-N 2.9Å; S123-A127 WeakPolarHBondContact O-CB 3.48Å; S123-A127 PolarHBondContact O-N 3.2Å
124	Y	98.6	Very high	97.5	Very high	3 Å²	3	3.3 Å²	3.3	1%	0.012	2%	0.019	C	C	.	.	H	α-helix	trans	-62.9	-44.4	173.9	-176.5	-78.3	0	0	0	111.5	F116 C118 D121 A122 V126 A127 Q128 P140 L264 I270 L274	F116-Y124 HydrophobicContact CD2-CD2 4.4Å; F116-Y124 HydrophobicContact CD2-CE2 4.45Å; F116-Y124 HydrophobicContact CE2-CD1 4.33Å; F116-Y124 AromaticContact CE2-CD2 3.49Å; F116-Y124 HydrophobicContact CE2-CD2 3.49Å; F116-Y124 VanDerWaalsContact CE2-CD2 3.49Å; F116-Y124 HydrophobicContact CE2-CE1 4.22Å; F116-Y124 AromaticContact CE2-CE2 3.33Å; F116-Y124 HydrophobicContact CE2-CE2 3.33Å; F116-Y124 AromaticContact CE2-CG 3.98Å; F116-Y124 HydrophobicContact CE2-CG 3.98Å; F116-Y124 AromaticContact CE2-CZ 3.72Å; F116-Y124 HydrophobicContact CZ-CD2 4.25Å; F116-Y124 HydrophobicContact CZ-CE1 4.18Å; F116-Y124 AromaticContact CZ-CE2 3.64Å; F116-Y124 HydrophobicContact CZ-CE2 3.64Å; F116-Y124 AromaticContact CZ-CZ 3.6Å; C118-Y124 HydrophobicContact CB-CD2 4.14Å; C118-Y124 HydrophobicContact CB-CG 4.47Å; D121-Y124 WeakPolarHBondContact O-CB 3.45Å; D121-Y124 PolarHBondContact O-N 3.2Å; A122-Y124 PolarHBondContact O-N 3Å; Y124-V126 VanDerWaalsContact C-N 3.34Å; Y124-A127 PolarHBondContact O-N 3.11Å; Y124-Q128 HydrophobicContact CE1-CB 4.37Å; Y124-Q128 WeakPolarHBondContact O-CB 3.47Å; Y124-Q128 PolarHBondContact O-N 3.01Å; Y124-P140 HydrophobicContact CE2-CB 4.12Å; Y124-P140 WeakPolarHBondContact OH-CB 3.4Å; Y124-L264 HydrophobicContact CD1-CB 4.5Å; Y124-L264 HydrophobicContact CD1-CD1 3.78Å; Y124-L264 HydrophobicContact CD2-CB 3.65Å; Y124-L264 HydrophobicContact CD2-CD1 3.63Å; Y124-L264 HydrophobicContact CD2-CG 4.26Å; Y124-L264 HydrophobicContact CE1-CB 4.2Å; Y124-L264 HydrophobicContact CE1-CD1 4.24Å; Y124-L264 HydrophobicContact CE1-CD2 4.39Å; Y124-L264 HydrophobicContact CE2-CB 3.29Å; Y124-L264 HydrophobicContact CE2-CD1 4.11Å; Y124-L264 HydrophobicContact CE2-CG 4.26Å; Y124-L264 VanDerWaalsContact CE2-O 3.23Å; Y124-L264 WeakPolarHBondContact CE2-O 3.26Å; Y124-L264 HydrophobicContact CG-CB 4.27Å; Y124-L264 HydrophobicContact CG-CD1 3.47Å; Y124-L264 VanDerWaalsContact CG-CD1 3.47Å; Y124-L264 HydrophobicContact CG-CG 4.43Å; Y124-L264 PolarHBondContact OH-O 2.87Å; Y124-I270 WeakPolarHBondContact OH-CD1 3.06Å; Y124-I270 WeakPolarHBondContact OH-CG1 3.45Å; Y124-L274 HydrophobicContact CD1-CD2 3.66Å; Y124-L274 HydrophobicContact CE1-CD2 3.66Å
125	V	98.7	Very high	97.2	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-45.4	178.8	-174.7	0	0	0	0	109.6	V75 L87 A122 A127 Q128 W129 L274 L278 M286	V75-V125 HydrophobicContact CG2-CG2 4.14Å; L87-V125 HydrophobicContact CD1-CB 4.38Å; L87-V125 HydrophobicContact CD1-CG1 4.04Å; A122-V125 PolarHBondContact O-N 3.04Å; A122-V125 VanDerWaalsContact O-N 3.09Å; V125-A127 PolarHBondContact O-N 3.23Å; V125-Q128 PolarHBondContact O-N 3.44Å; V125-W129 HydrophobicContact CG1-CD2 3.71Å; V125-W129 VanDerWaalsContact CG1-CE2 3.49Å; V125-W129 HydrophobicContact CG1-CE3 4.09Å; V125-W129 HydrophobicContact CG1-CG 4.23Å; V125-W129 HydrophobicContact CG1-CH2 4.1Å; V125-W129 HydrophobicContact CG1-CZ2 3.73Å; V125-W129 HydrophobicContact CG1-CZ3 4.27Å; V125-W129 WeakPolarHBondContact O-CB 3.46Å; V125-W129 PolarHBondContact O-N 3.31Å; V125-L274 HydrophobicContact CG2-CD1 3.87Å; V125-L274 HydrophobicContact CG2-CD2 4.35Å; V125-L278 HydrophobicContact CG1-CD1 4.05Å; V125-L278 HydrophobicContact CG2-CD1 4.36Å; V125-M286 HydrophobicContact CG2-CE 4.25Å
126	V	98.6	Very high	97.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-57.3	-50.6	178	170.7	0	0	0	0	111.4	L87 S91 L94 A122 S123 Y124 A130 L186 L192 L195	L87-V126 HydrophobicContact CD2-CG2 4.03Å; S91-V126 VanDerWaalsContact OG-CA 3.3Å; S91-V126 WeakPolarHBondContact OG-CA 3.17Å; S91-V126 PolarHBondContact OG-O 3.13Å; S91-V126 VanDerWaalsContact OG-O 3.11Å; L94-V126 HydrophobicContact CB-CG1 4.39Å; L94-V126 HydrophobicContact CD2-CG1 4.19Å; A122-V126 PolarHBondContact O-N 3.49Å; S123-V126 PolarHBondContact O-N 2.9Å; Y124-V126 VanDerWaalsContact C-N 3.34Å; V126-A130 WeakPolarHBondContact O-CB 3.33Å; V126-A130 PolarHBondContact O-N 2.88Å; V126-L186 HydrophobicContact CG1-CD2 4.31Å; V126-L192 HydrophobicContact CG2-CD1 4.02Å; V126-L195 HydrophobicContact CG1-CD1 3.95Å
127	A	98.7	Very high	97.1	Very high	2 Å²	2	3.6 Å²	3.6	2%	0.017	2%	0.022	C	C	.	.	H	α-helix	trans	-63.2	-44.1	179.9	0	0	0	0	0	113.1	L94 F116 S123 Y124 V125 G131 V163 L186	L94-A127 HydrophobicContact CD2-CB 4.39Å; F116-A127 HydrophobicContact CB-CB 4.16Å; F116-A127 HydrophobicContact CD2-CB 3.65Å; F116-A127 HydrophobicContact CE2-CB 4.23Å; F116-A127 HydrophobicContact CG-CB 4.02Å; S123-A127 WeakPolarHBondContact O-CB 3.48Å; S123-A127 PolarHBondContact O-N 3.2Å; Y124-A127 PolarHBondContact O-N 3.11Å; V125-A127 PolarHBondContact O-N 3.23Å; A127-G131 PolarHBondContact O-N 3.06Å; A127-V163 HydrophobicContact CB-CG1 4.3Å; A127-L186 HydrophobicContact CB-CD1 4.39Å
128	Q	98.6	Very high	97.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-63.7	-49.2	179.4	173.8	170	92	0	0	111.6	F116 Y124 V125 G131 W132 V138	F116-Q128 HydrophobicContact CZ-CB 4.16Å; Y124-Q128 HydrophobicContact CE1-CB 4.37Å; Y124-Q128 WeakPolarHBondContact O-CB 3.47Å; Y124-Q128 PolarHBondContact O-N 3.01Å; V125-Q128 PolarHBondContact O-N 3.44Å; Q128-G131 PolarHBondContact O-N 3.07Å; Q128-W132 HydrophobicContact CG-CD2 4.19Å; Q128-W132 HydrophobicContact CG-CE3 4.16Å; Q128-W132 HydrophobicContact CG-CH2 3.79Å; Q128-W132 HydrophobicContact CG-CZ2 3.79Å; Q128-W132 HydrophobicContact CG-CZ3 3.98Å; Q128-W132 PolarHBondContact O-N 2.98Å; Q128-W132 VanDerWaalsContact O-N 3.15Å; Q128-V138 HydrophobicContact CG-CG2 4.29Å
129	W	98.3	Very high	97.2	Very high	1 Å²	1	3 Å²	3	0%	0.004	2%	0.019	C	C	.	.	H	α-helix	trans	-66.2	-40.2	179.8	-72.7	5.7	0	0	0	111.5	F63 A66 Y84 L87 S91 V125 G131 W132 M133 L278	F63-W129 HydrophobicContact CB-CB 4.15Å; F63-W129 HydrophobicContact CB-CD2 3.49Å; F63-W129 VanDerWaalsContact CB-CD2 3.49Å; F63-W129 HydrophobicContact CB-CE3 3.87Å; F63-W129 HydrophobicContact CB-CG 3.63Å; F63-W129 HydrophobicContact CB-CZ2 4.39Å; F63-W129 HydrophobicContact CB-CZ3 4.46Å; A66-W129 HydrophobicContact CB-CH2 3.73Å; A66-W129 HydrophobicContact CB-CZ3 3.84Å; Y84-W129 HydrophobicContact CD1-CH2 4.32Å; L87-W129 HydrophobicContact CB-CE3 4.28Å; L87-W129 HydrophobicContact CB-CH2 4.34Å; L87-W129 HydrophobicContact CB-CZ3 3.69Å; S91-W129 WeakPolarHBondContact OG-CB 3.46Å; V125-W129 HydrophobicContact CG1-CD2 3.71Å; V125-W129 VanDerWaalsContact CG1-CE2 3.49Å; V125-W129 HydrophobicContact CG1-CE3 4.09Å; V125-W129 HydrophobicContact CG1-CG 4.23Å; V125-W129 HydrophobicContact CG1-CH2 4.1Å; V125-W129 HydrophobicContact CG1-CZ2 3.73Å; V125-W129 HydrophobicContact CG1-CZ3 4.27Å; V125-W129 WeakPolarHBondContact O-CB 3.46Å; V125-W129 PolarHBondContact O-N 3.31Å; W129-G131 VanDerWaalsContact C-N 3.34Å; W129-G131 PolarHBondContact O-N 3.21Å; W129-W132 PolarHBondContact O-N 3.41Å; W129-W132 VanDerWaalsContact O-N 3.14Å; W129-M133 WeakPolarHBondContact O-CB 3.35Å; W129-M133 VanDerWaalsContact O-CG 3.24Å; W129-M133 WeakPolarHBondContact O-CG 3.38Å; W129-M133 PolarHBondContact O-N 2.88Å; W129-L278 HydrophobicContact CZ2-CD1 3.91Å; W129-L278 HydrophobicContact CZ2-CD2 4.48Å
130	A	97.8	Very high	97.3	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.6	-41	176.3	0	0	0	0	0	112.8	S91 L94 A95 I98 V126 W132 M133 S134	S91-A130 VanDerWaalsContact O-CB 3.25Å; S91-A130 WeakPolarHBondContact O-CB 3.18Å; L94-A130 HydrophobicContact CB-CB 3.66Å; L94-A130 HydrophobicContact CD2-CB 3.47Å; L94-A130 VanDerWaalsContact CD2-CB 3.47Å; L94-A130 HydrophobicContact CG-CB 3.54Å; A95-A130 HydrophobicContact CB-CB 4.22Å; A95-A130 WeakPolarHBondContact CB-O 3.42Å; I98-A130 HydrophobicContact CD1-CB 3.97Å; V126-A130 WeakPolarHBondContact O-CB 3.33Å; V126-A130 PolarHBondContact O-N 2.88Å; A130-W132 VanDerWaalsContact C-N 3.33Å; A130-W132 PolarHBondContact O-N 3.24Å; A130-M133 PolarHBondContact O-N 3.2Å; A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 3Å; A130-S134 PolarHBondContact O-OG 3.42Å
131	G	97.5	Very high	97.3	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-61	-40.2	173.7	0	0	0	0	0	112.5	A127 Q128 W129 S134 G136	A127-G131 PolarHBondContact O-N 3.06Å; Q128-G131 PolarHBondContact O-N 3.07Å; W129-G131 VanDerWaalsContact C-N 3.34Å; W129-G131 PolarHBondContact O-N 3.21Å; G131-S134 PolarHBondContact O-OG 3.32Å; G131-G136 CarbonylContact O-C 3.54Å; G131-G136 VanDerWaalsContact O-CA 3.27Å; G131-G136 WeakPolarHBondContact O-CA 3.45Å; G131-G136 PolarHBondContact O-N 2.97Å
132	W	96.9	Very high	96.9	Very high	1 Å²	1	2.8 Å²	2.8	0%	0.004	2%	0.015	C	C	.	.	H	α-helix	trans	-72.9	-42.2	175	-64.8	-25.4	0	0	0	113.5	P61 F63 Q128 W129 A130 S134 G135 V138 W212 A217 H236 L275	P61-W132 HydrophobicContact CB-CE3 4.35Å; F63-W132 HydrophobicContact CD1-CB 4.12Å; F63-W132 HydrophobicContact CD1-CE3 4.08Å; F63-W132 HydrophobicContact CE1-CB 3.64Å; Q128-W132 HydrophobicContact CG-CD2 4.19Å; Q128-W132 HydrophobicContact CG-CE3 4.16Å; Q128-W132 HydrophobicContact CG-CH2 3.79Å; Q128-W132 HydrophobicContact CG-CZ2 3.79Å; Q128-W132 HydrophobicContact CG-CZ3 3.98Å; Q128-W132 PolarHBondContact O-N 2.98Å; Q128-W132 VanDerWaalsContact O-N 3.15Å; W129-W132 PolarHBondContact O-N 3.41Å; W129-W132 VanDerWaalsContact O-N 3.14Å; A130-W132 VanDerWaalsContact C-N 3.33Å; A130-W132 PolarHBondContact O-N 3.24Å; W132-S134 VanDerWaalsContact C-N 3.26Å; W132-S134 PolarHBondContact O-N 3.35Å; W132-G135 WeakPolarHBondContact O-CA 3.38Å; W132-G135 PolarHBondContact O-N 2.93Å; W132-V138 HydrophobicContact CG-CG1 4.45Å; W132-V138 HydrophobicContact CZ2-CG2 4.43Å; W132-W212 WeakPolarHBondContact O-CH2 3.43Å; W132-A217 PolarHBondContact NE1-O 2.94Å; W132-H236 AromaticContact CD1-CE1 3.7Å; W132-H236 AromaticContact CD2-CE1 3.99Å; W132-H236 AromaticContact CG-CE1 3.68Å; W132-L275 HydrophobicContact CH2-CD1 4.09Å; W132-L275 HydrophobicContact CH2-CD2 3.91Å; W132-L275 HydrophobicContact CZ3-CD2 4.2Å
133	M	94.6	Very high	96.3	Very high	6 Å²	6	6.4 Å²	6.4	3%	0.03	3%	0.029	C	C	.	.	H	α-helix	trans	-61.4	-35.6	178.4	-74.8	169.6	170.5	0	0	111.8	F63 Y88 S91 L92 A95 F106 G107 W129 A130 G135	F63-M133 HydrophobicContact CB-CE 3.97Å; F63-M133 HydrophobicContact CD1-CG 4.13Å; F63-M133 HydrophobicContact CD2-CE 3.45Å; F63-M133 VanDerWaalsContact CD2-CE 3.45Å; F63-M133 HydrophobicContact CD2-CG 3.96Å; F63-M133 HydrophobicContact CE1-CG 3.87Å; F63-M133 HydrophobicContact CE2-CE 4.06Å; F63-M133 HydrophobicContact CE2-CG 3.69Å; F63-M133 HydrophobicContact CG-CE 3.75Å; F63-M133 HydrophobicContact CG-CG 4.2Å; F63-M133 HydrophobicContact CZ-CG 3.66Å; Y88-M133 HydrophobicContact CD2-CE 3.49Å; Y88-M133 VanDerWaalsContact CD2-CE 3.49Å; Y88-M133 HydrophobicContact CE2-CE 3.43Å; Y88-M133 VanDerWaalsContact CE2-CE 3.43Å; Y88-M133 HydrophobicContact CG-CE 4.23Å; S91-M133 VanDerWaalsContact CB-SD 3.54Å; L92-M133 HydrophobicContact CD2-CE 4.09Å; L92-M133 HydrophobicContact CD2-CG 4.42Å; L92-M133 HydrophobicContact CD2-SD 3.61Å; L92-M133 HydrophobicContact CG-CE 4.22Å; L92-M133 HydrophobicContact CG-SD 3.99Å; A95-M133 HydrophobicContact CB-CB 3.77Å; F106-M133 HydrophobicContact CZ-CB 4.13Å; G107-M133 WeakPolarHBondContact CA-O 3.46Å; W129-M133 WeakPolarHBondContact O-CB 3.35Å; W129-M133 VanDerWaalsContact O-CG 3.24Å; W129-M133 WeakPolarHBondContact O-CG 3.38Å; W129-M133 PolarHBondContact O-N 2.88Å; A130-M133 PolarHBondContact O-N 3.2Å; M133-G135 PolarHBondContact O-N 3.02Å
134	S	93.6	Very high	95.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.3	172.6	55.4	0	0	0	0	113.8	G107 C108 L109 A130 G131 W132	G107-S134 CarbonylContact C-O 3.49Å; G107-S134 VanDerWaalsContact C-O 3.26Å; G107-S134 VanDerWaalsContact CA-C 3.46Å; G107-S134 VanDerWaalsContact CA-O 3.28Å; G107-S134 WeakPolarHBondContact CA-O 3.22Å; C108-S134 PolarHBondContact N-O 3.38Å; L109-S134 VanDerWaalsContact CB-O 3.25Å; L109-S134 WeakPolarHBondContact CB-O 3.42Å; L109-S134 WeakPolarHBondContact CD1-OG 3.43Å; L109-S134 WeakPolarHBondContact CG-O 3.46Å; L109-S134 PolarHBondContact N-O 3.35Å; L109-S134 VanDerWaalsContact N-O 3.16Å; A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 3Å; A130-S134 PolarHBondContact O-OG 3.42Å; G131-S134 PolarHBondContact O-OG 3.32Å; W132-S134 VanDerWaalsContact C-N 3.26Å; W132-S134 PolarHBondContact O-N 3.35Å
135	G	92.9	Very high	94.6	Very high	7 Å²	7	11.8 Å²	11.8	7%	0.072	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	16	-178.9	0	0	0	0	0	113.8	G111 W132 M133	G111-G135 PolarHBondContact N-O 3.41Å; W132-G135 WeakPolarHBondContact O-CA 3.38Å; W132-G135 PolarHBondContact O-N 2.93Å; M133-G135 PolarHBondContact O-N 3.02Å
136	G	96	Very high	93.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-90.7	164.1	-179.9	0	0	0	0	0	113.9	R112 G131	R112-G136 CarbonylContact O-C 3.56Å; R112-G136 VanDerWaalsContact O-CA 3.23Å; R112-G136 WeakPolarHBondContact O-CA 3.27Å; G131-G136 CarbonylContact O-C 3.54Å; G131-G136 VanDerWaalsContact O-CA 3.27Å; G131-G136 WeakPolarHBondContact O-CA 3.45Å; G131-G136 PolarHBondContact O-N 2.97Å
137	T	98.4	Very high	93.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.7	171	-50	0	0	0	0	108.9	G111 R112 R113 I114 P216 I219 L233	G111-T137 PolarHBondContact O-OG1 2.67Å; R112-T137 PolarHBondContact O-N 2.88Å; R113-T137 CarbonylContact C-O 3.49Å; R113-T137 VanDerWaalsContact CA-O 3.23Å; R113-T137 WeakPolarHBondContact CA-O 3.45Å; R113-T137 HydrophobicContact CG-CG2 4.38Å; I114-T137 PolarHBondContact N-O 3.37Å; T137-P216 HydrophobicContact CG2-CB 3.96Å; T137-P216 WeakPolarHBondContact OG1-CB 3.5Å; T137-I219 HydrophobicContact CG2-CD1 4.25Å; T137-I219 HydrophobicContact CG2-CG1 3.88Å; T137-L233 HydrophobicContact CG2-CD1 3.93Å
138	V	98.8	Very high	92.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.1	-177	-53.6	0	0	0	0	112.1	I114 F116 Q128 W132 A217 M218 I219	I114-V138 WeakPolarHBondContact O-CA 3.36Å; F116-V138 HydrophobicContact CD1-CB 4.32Å; F116-V138 HydrophobicContact CE1-CB 3.8Å; F116-V138 HydrophobicContact CE1-CG2 4.15Å; Q128-V138 HydrophobicContact CG-CG2 4.29Å; W132-V138 HydrophobicContact CG-CG1 4.45Å; W132-V138 HydrophobicContact CZ2-CG2 4.43Å; V138-A217 PolarHBondContact N-O 3.29Å; V138-M218 HydrophobicContact CG2-CB 4.01Å; V138-M218 HydrophobicContact CG2-CG 3.87Å; V138-M218 HydrophobicContact CG2-SD 4.38Å; V138-M218 VanDerWaalsContact O-CA 3.27Å; V138-M218 WeakPolarHBondContact O-CA 3.36Å; V138-I219 PolarHBondContact O-N 2.87Å
139	V	98.7	Very high	91.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	93	178.7	-170.4	0	0	0	0	108.4	R113 I114 S115 F116 L141 I153 I219 Y221	R113-V139 HydrophobicContact CB-CG2 3.9Å; R113-V139 HydrophobicContact CG-CG2 3.81Å; I114-V139 PolarHBondContact O-N 2.87Å; S115-V139 WeakPolarHBondContact CA-O 3.35Å; S115-V139 WeakPolarHBondContact OG-CB 3.32Å; F116-V139 PolarHBondContact N-O 3.41Å; F116-V139 VanDerWaalsContact N-O 3.12Å; V139-L141 PolarHBondContact O-N 3.14Å; V139-I153 HydrophobicContact CG1-CG2 3.84Å; V139-I219 HydrophobicContact CG2-CB 4.2Å; V139-I219 HydrophobicContact CG2-CD1 4.43Å; V139-Y221 HydrophobicContact CG1-CD2 4.33Å; V139-Y221 HydrophobicContact CG1-CE2 4.04Å
140	P	97.6	Very high	91.2	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.058	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.7	180	25.9	-32.7	0	0	0	111	F116 Y124 M218 I219 I270	F116-P140 HydrophobicContact CE1-CB 3.86Å; F116-P140 HydrophobicContact CE2-CB 4.42Å; F116-P140 HydrophobicContact CZ-CB 3.7Å; Y124-P140 HydrophobicContact CE2-CB 4.12Å; Y124-P140 WeakPolarHBondContact OH-CB 3.4Å; P140-M218 HydrophobicContact CG-SD 4.31Å; P140-I219 WeakPolarHBondContact CD-O 3.49Å; P140-I270 HydrophobicContact CG-CD1 4Å
141	L	95.1	Very high	91	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	15%	0.153	C	C	.	.			trans	-92.2	163.6	171.6	-58.4	179.5	0	0	0	110.7	F116 L117 V139 L150 I153 I154 L172	F116-L141 VanDerWaalsContact O-CB 3.31Å; F116-L141 WeakPolarHBondContact O-CB 3.29Å; F116-L141 PolarHBondContact O-N 3.3Å; L117-L141 HydrophobicContact CB-CB 4.15Å; L117-L141 HydrophobicContact CB-CD1 4.35Å; L117-L141 HydrophobicContact CD1-CB 3.91Å; V139-L141 PolarHBondContact O-N 3.14Å; L141-L150 HydrophobicContact CB-CD2 3.99Å; L141-L150 HydrophobicContact CD1-CD2 4.49Å; L141-L150 HydrophobicContact CD2-CD2 4.32Å; L141-I153 HydrophobicContact CD2-CB 4.08Å; L141-I153 HydrophobicContact CD2-CG2 3.44Å; L141-I153 VanDerWaalsContact CD2-CG2 3.44Å; L141-I154 HydrophobicContact CD1-CD1 3.98Å; L141-I154 HydrophobicContact CD1-CG1 4.05Å; L141-I154 HydrophobicContact CD2-CG1 4.23Å; L141-L172 HydrophobicContact CD1-CD2 3.88Å
142	Y	88.3	Confident	90.6	Very high	21 Å²	21	30.8 Å²	30.8	8%	0.082	16%	0.159	C	C	.	.			trans	-128.1	126.4	178.7	-174.4	-130.1	0	0	0	112.5	K144 H145 P263 H265 Q574	Y142-K144 HydrophobicContact CD1-CB 4.05Å; Y142-K144 HydrophobicContact CE1-CB 3.52Å; Y142-K144 HydrophobicContact CE1-CD 4.34Å; Y142-K144 HydrophobicContact CE1-CG 3.95Å; Y142-K144 PolarHBondContact O-N 2.91Å; Y142-K144 VanDerWaalsContact O-N 3.14Å; Y142-K144 WeakPolarHBondContact OH-CD 3.17Å; Y142-H145 AromaticContact CD1-CD2 3.61Å; Y142-H145 AromaticContact CD1-NE2 3.67Å; Y142-H145 VanDerWaalsContact O-CB 3.3Å; Y142-H145 WeakPolarHBondContact O-CB 3.5Å; Y142-H145 PolarHBondContact O-N 3.48Å; Y142-P263 HydrophobicContact CD2-CB 4.46Å; Y142-P263 HydrophobicContact CE2-CB 3.9Å; Y142-P263 HydrophobicContact CE2-CG 4.5Å; Y142-H265 AromaticContact CD1-CE1 3.19Å; Y142-H265 WeakPolarHBondContact CD1-CE1 3.47Å; Y142-H265 AromaticContact CD1-ND1 3.63Å; Y142-H265 AromaticContact CD1-NE2 3.63Å; Y142-H265 AromaticContact CD2-CE1 3.54Å; Y142-H265 AromaticContact CD2-ND1 3.2Å; Y142-H265 WeakPolarHBondContact CD2-ND1 3.27Å; Y142-H265 AromaticContact CE1-CE1 3.36Å; Y142-H265 WeakPolarHBondContact CE1-CE1 3.19Å; Y142-H265 AromaticContact CE2-CE1 3.72Å; Y142-H265 AromaticContact CE2-ND1 3.71Å; Y142-H265 AromaticContact CG-CE1 3.28Å; Y142-H265 AromaticContact CG-CG 3.77Å; Y142-H265 AromaticContact CG-ND1 3.16Å; Y142-H265 AromaticContact CG-NE2 3.92Å; Y142-H265 AromaticContact CZ-CE1 3.63Å; Y142-Q574 HydrophobicContact CE1-CB 4.05Å; Y142-Q574 HydrophobicContact CE1-CG 3.9Å
143	R	86.4	Confident	90.4	Very high	76 Å²	76	30.9 Å²	30.9	29%	0.287	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.2	-172.2	69.1	-176.4	173.4	90.1	-2.9	115.4	L117 H145 Y168 E289	L117-R143 HydrophobicContact CD1-CB 4.01Å; R143-H145 VanDerWaalsContact C-N 3.33Å; R143-Y168 HydrophobicContact CB-CE1 4.06Å; R143-Y168 HydrophobicContact CB-CE2 4.47Å; R143-Y168 VanDerWaalsContact CD-CZ 3.46Å; R143-Y168 WeakPolarHBondContact CD-OH 3.28Å; R143-E289 IonicContact CZ-OE1 2.79Å; R143-E289 VanDerWaalsContact CZ-OE1 3.27Å; R143-E289 IonicContact NH1-OE1 3.96Å; R143-E289 PolarHBondContact NH1-OE1 2.77Å; R143-E289 IonicContact NH2-OE1 2.77Å; R143-E289 PolarHBondContact NH2-OE1 2.94Å
144	K	82.1	Confident	90.6	Very high	79 Å²	79	30.7 Å²	30.7	34%	0.343	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.9	177.3	-52.8	-168.7	178.9	-176.4	0	112.2	Y142 E289	Y142-K144 HydrophobicContact CD1-CB 4.05Å; Y142-K144 HydrophobicContact CE1-CB 3.52Å; Y142-K144 HydrophobicContact CE1-CD 4.34Å; Y142-K144 HydrophobicContact CE1-CG 3.95Å; Y142-K144 PolarHBondContact O-N 2.91Å; Y142-K144 VanDerWaalsContact O-N 3.14Å; Y142-K144 WeakPolarHBondContact OH-CD 3.17Å; K144-E289 IonicContact NZ-OE1 3.94Å; K144-E289 IonicContact NZ-OE2 3.87Å; K144-E289 PolarHBondContact NZ-OE2 3.44Å
145	H	79.3	Confident	90.8	Very high	37 Å²	37	34.5 Å²	34.5	17%	0.171	18%	0.182	C	C	.	.	S	Bend	trans	-72.1	140.5	169.2	-69.3	173.9	0	0	0	110	Y142 R143 E149 L150 H265	Y142-H145 AromaticContact CD1-CD2 3.61Å; Y142-H145 AromaticContact CD1-NE2 3.67Å; Y142-H145 VanDerWaalsContact O-CB 3.3Å; Y142-H145 WeakPolarHBondContact O-CB 3.5Å; Y142-H145 PolarHBondContact O-N 3.48Å; R143-H145 VanDerWaalsContact C-N 3.33Å; H145-E149 HydrophobicContact CB-CB 4.19Å; H145-E149 HydrophobicContact CB-CG 4.15Å; H145-E149 IonicContact CD2-OE2 2.69Å; H145-E149 IonicContact CE1-OE1 2.69Å; H145-E149 IonicContact CG-OE2 2.93Å; H145-L150 HydrophobicContact CB-CD2 3.91Å; H145-L150 HydrophobicContact CB-CG 4.18Å; H145-H265 AromaticContact NE2-CD2 3.98Å; H145-H265 AromaticContact NE2-NE2 3.91Å
146	P	80	Confident	90.9	Very high	73 Å²	73	35.6 Å²	35.6	47%	0.474	19%	0.186	S	C	.	.			trans	-56.6	151.9	169.2	-22.4	33.1	0	0	0	111.6	S148 E149 L150	P146-S148 PolarHBondContact O-N 3.49Å; P146-S148 VanDerWaalsContact O-N 3.15Å; P146-E149 WeakPolarHBondContact CD-OE2 3.3Å; P146-E149 WeakPolarHBondContact O-CA 3.3Å; P146-E149 WeakPolarHBondContact O-CB 3.43Å; P146-E149 PolarHBondContact O-N 3.39Å; P146-L150 PolarHBondContact O-N 3.19Å
147	L	86.2	Confident	91	Very high	103 Å²	103	35.6 Å²	35.6	54%	0.539	19%	0.186	S	C	.	.	H	α-helix	trans	-52.7	-38.4	177.4	-74.1	175.1	0	0	0	112.9	E149 L150 E151 T171	L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 2.95Å; L147-L150 HydrophobicContact CD2-CD1 4.43Å; L147-L150 PolarHBondContact O-N 3.21Å; L147-E151 WeakPolarHBondContact O-CB 3.43Å; L147-E151 PolarHBondContact O-N 2.85Å; L147-T171 HydrophobicContact CD2-CG2 3.67Å
148	S	82.1	Confident	91	Very high	86 Å²	86	40.3 Å²	40.3	60%	0.601	21%	0.208	S	C	*	.	H	α-helix	trans	-65	-31.1	177.6	54.7	0	0	0	0	113.4	P146 Y152	P146-S148 PolarHBondContact O-N 3.49Å; P146-S148 VanDerWaalsContact O-N 3.15Å; S148-Y152 WeakPolarHBondContact O-CB 3.19Å; S148-Y152 PolarHBondContact O-N 3.41Å
149	E	82.9	Confident	91	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.248	21%	0.21	C	C	.	.	H	α-helix	trans	-77.9	-38.1	175.5	-178.2	166.5	-165.3	0	0	111.1	H145 P146 L147 Y152 I153	H145-E149 HydrophobicContact CB-CB 4.19Å; H145-E149 HydrophobicContact CB-CG 4.15Å; H145-E149 IonicContact CD2-OE2 2.69Å; H145-E149 IonicContact CE1-OE1 2.69Å; H145-E149 IonicContact CG-OE2 2.93Å; P146-E149 WeakPolarHBondContact CD-OE2 3.3Å; P146-E149 WeakPolarHBondContact O-CA 3.3Å; P146-E149 WeakPolarHBondContact O-CB 3.43Å; P146-E149 PolarHBondContact O-N 3.39Å; L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 2.95Å; E149-Y152 PolarHBondContact O-N 3.07Å; E149-I153 HydrophobicContact CG-CD1 4.16Å; E149-I153 VanDerWaalsContact O-CG1 3.31Å; E149-I153 WeakPolarHBondContact O-CG1 3.31Å; E149-I153 PolarHBondContact O-N 2.93Å
150	L	89.4	Confident	91	Very high	3 Å²	3	42 Å²	42	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-48.4	170.3	-63.7	-179.4	0	0	0	111.2	L117 L141 H145 P146 L147 Y152 I153 I154 T171 L175	L117-L150 HydrophobicContact CD2-CD1 4.47Å; L141-L150 HydrophobicContact CB-CD2 3.99Å; L141-L150 HydrophobicContact CD1-CD2 4.49Å; L141-L150 HydrophobicContact CD2-CD2 4.32Å; H145-L150 HydrophobicContact CB-CD2 3.91Å; H145-L150 HydrophobicContact CB-CG 4.18Å; P146-L150 PolarHBondContact O-N 3.19Å; L147-L150 HydrophobicContact CD2-CD1 4.43Å; L147-L150 PolarHBondContact O-N 3.21Å; L150-Y152 VanDerWaalsContact C-N 3.32Å; L150-Y152 PolarHBondContact O-N 3.03Å; L150-I153 PolarHBondContact O-N 3.13Å; L150-I154 WeakPolarHBondContact O-CB 3.44Å; L150-I154 WeakPolarHBondContact O-CD1 3.27Å; L150-I154 VanDerWaalsContact O-CG1 3.24Å; L150-I154 WeakPolarHBondContact O-CG1 3.33Å; L150-I154 PolarHBondContact O-N 2.87Å; L150-T171 HydrophobicContact CD1-CG2 4.27Å; L150-L175 HydrophobicContact CB-CD2 3.99Å
151	E	94.9	Very high	91	Very high	53 Å²	53	41.6 Å²	41.6	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-44.1	176.1	-175.5	174.1	170.6	0	0	111.8	L147 I154 T155 L175 K178 L179	L147-E151 WeakPolarHBondContact O-CB 3.43Å; L147-E151 PolarHBondContact O-N 2.85Å; E151-I154 PolarHBondContact O-N 3.13Å; E151-T155 VanDerWaalsContact O-CB 3.28Å; E151-T155 WeakPolarHBondContact O-CB 3.27Å; E151-T155 PolarHBondContact O-N 3.03Å; E151-T155 PolarHBondContact O-OG1 2.75Å; E151-L175 HydrophobicContact CB-CD1 3.88Å; E151-L175 HydrophobicContact CG-CD1 4.02Å; E151-K178 WeakPolarHBondContact OE1-CE 3.38Å; E151-K178 IonicContact OE1-NZ 3.76Å; E151-K178 PolarHBondContact OE1-NZ 3.19Å; E151-K178 IonicContact OE2-NZ 2.79Å; E151-K178 PolarHBondContact OE2-NZ 3.47Å; E151-L179 HydrophobicContact CG-CD1 4.5Å; E151-L179 HydrophobicContact CG-CD2 4.24Å
152	Y	88.9	Confident	91.2	Very high	32 Å²	32	41.3 Å²	41.3	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-50.5	175.7	171.4	-110.7	0	0	0	111.6	S148 E149 L150 I154 T155 D156 Y221 R228 P229 R453	S148-Y152 WeakPolarHBondContact O-CB 3.19Å; S148-Y152 PolarHBondContact O-N 3.41Å; E149-Y152 PolarHBondContact O-N 3.07Å; L150-Y152 VanDerWaalsContact C-N 3.32Å; L150-Y152 PolarHBondContact O-N 3.03Å; Y152-I154 PolarHBondContact O-N 3.25Å; Y152-T155 PolarHBondContact O-N 3.16Å; Y152-D156 HydrophobicContact CD2-CB 4.27Å; Y152-D156 HydrophobicContact CE2-CB 3.78Å; Y152-D156 WeakPolarHBondContact CE2-OD1 3.27Å; Y152-D156 WeakPolarHBondContact O-CB 3.3Å; Y152-D156 PolarHBondContact O-N 2.87Å; Y152-D156 VanDerWaalsContact OH-CG 3.3Å; Y152-D156 PolarHBondContact OH-OD1 3.47Å; Y152-Y221 HydrophobicContact CE1-CD1 4.44Å; Y152-Y221 HydrophobicContact CE1-CE1 4.23Å; Y152-R228 HydrophobicContact CE1-CB 4.06Å; Y152-P229 HydrophobicContact CE1-CB 4.07Å; Y152-P229 HydrophobicContact CE1-CG 4.42Å; Y152-P229 WeakPolarHBondContact CE1-O 3.36Å; Y152-P229 PolarHBondContact OH-O 3.21Å; Y152-R453 PolarHBondContact OH-NH2 3Å
153	I	92.9	Very high	91.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-45	-179.6	-70.8	168.1	0	0	0	111	V139 L141 E149 L150 T155 S157 Y221	V139-I153 HydrophobicContact CG1-CG2 3.84Å; L141-I153 HydrophobicContact CD2-CB 4.08Å; L141-I153 HydrophobicContact CD2-CG2 3.44Å; L141-I153 VanDerWaalsContact CD2-CG2 3.44Å; E149-I153 HydrophobicContact CG-CD1 4.16Å; E149-I153 VanDerWaalsContact O-CG1 3.31Å; E149-I153 WeakPolarHBondContact O-CG1 3.31Å; E149-I153 PolarHBondContact O-N 2.93Å; L150-I153 PolarHBondContact O-N 3.13Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.73Å; I153-S157 WeakPolarHBondContact O-CB 3.23Å; I153-S157 PolarHBondContact O-N 2.87Å; I153-S157 PolarHBondContact O-OG 3.23Å; I153-Y221 HydrophobicContact CB-CD2 4.35Å; I153-Y221 HydrophobicContact CB-CE2 4.36Å; I153-Y221 HydrophobicContact CD1-CG 4.29Å; I153-Y221 HydrophobicContact CG1-CD1 4Å; I153-Y221 HydrophobicContact CG1-CD2 4.07Å; I153-Y221 HydrophobicContact CG1-CE1 4.37Å; I153-Y221 HydrophobicContact CG1-CE2 4.45Å; I153-Y221 HydrophobicContact CG1-CG 3.84Å; I153-Y221 HydrophobicContact CG2-CD2 3.6Å; I153-Y221 HydrophobicContact CG2-CE2 3.59Å; I153-Y221 HydrophobicContact CG2-CG 4.26Å
154	I	98.1	Very high	92.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-44.1	179.6	-69.7	162.3	0	0	0	110.8	L141 L150 E151 Y152 S157 Q158 S159 L162 L172 L175 L179 L181	L141-I154 HydrophobicContact CD1-CD1 3.98Å; L141-I154 HydrophobicContact CD1-CG1 4.05Å; L141-I154 HydrophobicContact CD2-CG1 4.23Å; L150-I154 WeakPolarHBondContact O-CB 3.44Å; L150-I154 WeakPolarHBondContact O-CD1 3.27Å; L150-I154 VanDerWaalsContact O-CG1 3.24Å; L150-I154 WeakPolarHBondContact O-CG1 3.33Å; L150-I154 PolarHBondContact O-N 2.87Å; E151-I154 PolarHBondContact O-N 3.13Å; Y152-I154 PolarHBondContact O-N 3.25Å; I154-S157 PolarHBondContact O-OG 3.03Å; I154-S157 VanDerWaalsContact O-OG 3.1Å; I154-Q158 PolarHBondContact O-N 3.25Å; I154-S159 PolarHBondContact O-N 2.69Å; I154-S159 VanDerWaalsContact O-N 3.11Å; I154-L162 HydrophobicContact CD1-CD1 3.98Å; I154-L162 HydrophobicContact CD1-CD2 4.11Å; I154-L162 HydrophobicContact CG1-CD2 4.03Å; I154-L162 HydrophobicContact CG2-CD2 3.82Å; I154-L172 HydrophobicContact CD1-CD2 4.15Å; I154-L175 HydrophobicContact CD1-CD2 3.52Å; I154-L175 HydrophobicContact CD1-CG 4.15Å; I154-L179 HydrophobicContact CB-CD1 4.1Å; I154-L179 HydrophobicContact CG2-CD1 3.48Å; I154-L179 VanDerWaalsContact CG2-CD1 3.48Å; I154-L181 HydrophobicContact CG2-CD1 3.62Å
155	T	97.6	Very high	93	Very high	79 Å²	79	33 Å²	33	49%	0.485	18%	0.183	S	C	.	.	H	α-helix	trans	-71.4	-48.2	-178.6	-55	0	0	0	0	111.8	E151 Y152 I153 S157 Q158	E151-T155 VanDerWaalsContact O-CB 3.28Å; E151-T155 WeakPolarHBondContact O-CB 3.27Å; E151-T155 PolarHBondContact O-N 3.03Å; E151-T155 PolarHBondContact O-OG1 2.75Å; Y152-T155 PolarHBondContact O-N 3.16Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.73Å; T155-S157 PolarHBondContact O-N 2.93Å; T155-Q158 WeakPolarHBondContact O-CA 3.16Å; T155-Q158 PolarHBondContact O-N 2.77Å
156	D	95.9	Very high	93.7	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.16	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-40.3	-177.7	-175.6	101	0	0	0	111.3	Y152 Q158 Y221 W451 R453	Y152-D156 HydrophobicContact CD2-CB 4.27Å; Y152-D156 HydrophobicContact CE2-CB 3.78Å; Y152-D156 WeakPolarHBondContact CE2-OD1 3.27Å; Y152-D156 WeakPolarHBondContact O-CB 3.3Å; Y152-D156 PolarHBondContact O-N 2.87Å; Y152-D156 VanDerWaalsContact OH-CG 3.3Å; Y152-D156 PolarHBondContact OH-OD1 3.47Å; D156-Q158 PolarHBondContact O-N 3.15Å; D156-Y221 HydrophobicContact CB-CE1 4.3Å; D156-Y221 WeakPolarHBondContact CB-OH 3.21Å; D156-Y221 VanDerWaalsContact OD2-CE1 3.28Å; D156-Y221 WeakPolarHBondContact OD2-CE1 3.43Å; D156-Y221 PolarHBondContact OD2-OH 2.89Å; D156-W451 PolarHBondContact O-NE1 3.18Å; D156-R453 IonicContact OD1-NH2 2.69Å
157	S	97.7	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.3	174	64.9	0	0	0	0	113.3	R113 I153 I154 T155 S159 Y221 W451	R113-S157 WeakPolarHBondContact CG-O 3.44Å; R113-S157 PolarHBondContact NE-O 3.48Å; I153-S157 WeakPolarHBondContact O-CB 3.23Å; I153-S157 PolarHBondContact O-N 2.87Å; I153-S157 PolarHBondContact O-OG 3.23Å; I154-S157 PolarHBondContact O-OG 3.03Å; I154-S157 VanDerWaalsContact O-OG 3.1Å; T155-S157 PolarHBondContact O-N 2.93Å; S157-S159 VanDerWaalsContact C-N 3.31Å; S157-S159 PolarHBondContact O-N 3.04Å; S157-S159 PolarHBondContact OG-OG 2.9Å; S157-Y221 WeakPolarHBondContact CA-OH 3.5Å; S157-Y221 WeakPolarHBondContact CB-OH 3.35Å; S157-Y221 PolarHBondContact N-OH 3.27Å; S157-W451 PolarHBondContact O-NE1 3.44Å
158	Q	98.1	Very high	94.8	Very high	100 Å²	100	33.2 Å²	33.2	47%	0.467	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	52.8	-174.8	-59	171.4	-55.2	0	0	110.6	R113 I154 T155 D156 N452	R113-Q158 PolarHBondContact NE-O 2.73Å; R113-Q158 PolarHBondContact NH2-O 3.27Å; I154-Q158 PolarHBondContact O-N 3.25Å; T155-Q158 WeakPolarHBondContact O-CA 3.16Å; T155-Q158 PolarHBondContact O-N 2.77Å; D156-Q158 PolarHBondContact O-N 3.15Å; Q158-N452 VanDerWaalsContact CD-ND2 3.35Å; Q158-N452 PolarHBondContact OE1-ND2 3.32Å
159	S	98.4	Very high	95.5	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	136.8	179.3	-69.2	0	0	0	0	111.2	R113 S115 I154 S157 L181	R113-S159 WeakPolarHBondContact O-CA 3.17Å; S115-S159 WeakPolarHBondContact CB-OG 3.36Å; S115-S159 PolarHBondContact OG-OG 2.8Å; I154-S159 PolarHBondContact O-N 2.69Å; I154-S159 VanDerWaalsContact O-N 3.11Å; S157-S159 VanDerWaalsContact C-N 3.31Å; S157-S159 PolarHBondContact O-N 3.04Å; S157-S159 PolarHBondContact OG-OG 2.9Å; S159-L181 VanDerWaalsContact O-CD2 3.24Å; S159-L181 WeakPolarHBondContact O-CD2 3.47Å
160	S	98.4	Very high	96	Very high	29 Å²	29	35.5 Å²	35.5	20%	0.203	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-23.7	178.6	-55.2	0	0	0	0	112.5	L102 R113 P182	L102-S160 WeakPolarHBondContact CD2-O 3.23Å; R113-S160 PolarHBondContact O-N 2.86Å; S160-P182 VanDerWaalsContact O-CD 3.3Å; S160-P182 WeakPolarHBondContact O-CD 3.24Å; S160-P182 VanDerWaalsContact O-CG 3.32Å; S160-P182 WeakPolarHBondContact O-CG 3.25Å
161	L	98.6	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.2	-179.7	-179.2	146.6	0	0	0	110	I98 A101 L102 I114 S115 V163 P182 L184	I98-L161 HydrophobicContact CG1-CD2 4.3Å; A101-L161 HydrophobicContact CB-CD1 3.52Å; L102-L161 HydrophobicContact CD1-CB 4.13Å; L102-L161 HydrophobicContact CD1-CD1 4.44Å; L102-L161 HydrophobicContact CD2-CB 4.12Å; L102-L161 HydrophobicContact CD2-CD1 4.42Å; L102-L161 HydrophobicContact CG-CB 4.26Å; L102-L161 HydrophobicContact CG-CD1 4.03Å; I114-L161 HydrophobicContact CD1-CB 3.95Å; I114-L161 HydrophobicContact CG2-CD2 4.02Å; S115-L161 PolarHBondContact N-O 3.25Å; S115-L161 VanDerWaalsContact N-O 3.11Å; L161-V163 HydrophobicContact CD2-CG2 3.57Å; L161-P182 HydrophobicContact CB-CG 4.02Å; L161-P182 HydrophobicContact CD1-CB 4.21Å; L161-P182 HydrophobicContact CD1-CG 4.06Å; L161-P182 HydrophobicContact CG-CB 4.41Å; L161-P182 HydrophobicContact CG-CG 4.11Å; L161-L184 HydrophobicContact CD1-CD1 3.99Å; L161-L184 HydrophobicContact CD1-CG 4.11Å; L161-L184 HydrophobicContact CD2-CD1 4.14Å; L161-L184 HydrophobicContact CD2-CG 4.24Å
162	L	98.8	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.5	173.1	-50.5	-170.3	0	0	0	110.8	S115 I154 L172 A176 L181 P182 C183 L184	S115-L162 CarbonylContact O-C 3.57Å; S115-L162 VanDerWaalsContact O-CA 3.28Å; S115-L162 WeakPolarHBondContact O-CA 3.23Å; I154-L162 HydrophobicContact CD1-CD1 3.98Å; I154-L162 HydrophobicContact CD1-CD2 4.11Å; I154-L162 HydrophobicContact CG1-CD2 4.03Å; I154-L162 HydrophobicContact CG2-CD2 3.82Å; L162-L172 HydrophobicContact CD1-CD2 4.08Å; L162-A176 HydrophobicContact CD1-CB 3.7Å; L162-A176 HydrophobicContact CG-CB 4.36Å; L162-L181 HydrophobicContact CD2-CD1 4.14Å; L162-L181 HydrophobicContact CG-CD1 4.31Å; L162-P182 PolarHBondContact N-O 2.87Å; L162-C183 CarbonylContact O-C 3.34Å; L162-C183 WeakPolarHBondContact O-CA 3.39Å; L162-L184 PolarHBondContact O-N 3.09Å
163	V	98.8	Very high	96.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.9	169.9	-178.7	0	0	0	0	109.3	L94 I98 I114 S115 F116 L117 A127 L161 L184 L186	L94-V163 HydrophobicContact CD2-CG1 4.19Å; I98-V163 HydrophobicContact CD1-CG2 4.36Å; I114-V163 HydrophobicContact CG2-CG2 3.87Å; S115-V163 PolarHBondContact O-N 2.96Å; F116-V163 CarbonylContact C-O 3.52Å; F116-V163 WeakPolarHBondContact CA-O 3.38Å; F116-V163 HydrophobicContact CB-CB 3.85Å; L117-V163 PolarHBondContact N-O 3.08Å; A127-V163 HydrophobicContact CB-CG1 4.3Å; L161-V163 HydrophobicContact CD2-CG2 3.57Å; V163-L184 CarbonylContact C-O 3.54Å; V163-L184 WeakPolarHBondContact CA-O 3.17Å; V163-L186 HydrophobicContact CG1-CD1 4.01Å; V163-L186 HydrophobicContact CG1-CG 3.96Å
164	A	98.3	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.6	177.5	0	0	0	0	0	110.4	L172 L184 T185 L186	A164-L172 HydrophobicContact CB-CB 3.88Å; A164-L172 HydrophobicContact CB-CD1 3.76Å; A164-L172 HydrophobicContact CB-CG 4.41Å; A164-L184 PolarHBondContact N-O 2.8Å; A164-T185 CarbonylContact O-C 3.52Å; A164-T185 WeakPolarHBondContact O-CA 3.36Å; A164-L186 PolarHBondContact O-N 2.92Å
165	A	96.7	Very high	96.7	Very high	1 Å²	1	42 Å²	42	1%	0.008	22%	0.224	C	C	.	.			trans	-61.2	148.8	161.3	0	0	0	0	0	109.7	L117 C118 P167 Y168 A169	L117-A165 WeakPolarHBondContact O-CB 3.39Å; L117-A165 PolarHBondContact O-N 3.1Å; C118-A165 HydrophobicContact CB-CB 4.25Å; A165-P167 VanDerWaalsContact C-CD 3.44Å; A165-P167 VanDerWaalsContact C-N 3.35Å; A165-P167 HydrophobicContact CB-CG 4.44Å; A165-P167 VanDerWaalsContact O-N 3.13Å; A165-Y168 HydrophobicContact CB-CD2 4.09Å; A165-Y168 CarbonylContact O-C 3.55Å; A165-Y168 WeakPolarHBondContact O-CA 3.44Å; A165-Y168 PolarHBondContact O-N 3.13Å; A165-A169 PolarHBondContact O-N 3.09Å
166	H	94.3	Very high	96.7	Very high	105 Å²	105	38.3 Å²	38.3	49%	0.486	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-40.3	-50.9	179.8	-176.3	70.5	0	0	0	115.1	Y168 A169 L186 P188	H166-Y168 PolarHBondContact O-N 3.39Å; H166-Y168 VanDerWaalsContact O-N 3.09Å; H166-A169 PolarHBondContact O-N 3.41Å; H166-L186 PolarHBondContact N-O 3.42Å; H166-P188 HydrophobicContact CB-CG 4.48Å
167	P	93.8	Very high	96.8	Very high	76 Å²	76	44.6 Å²	44.6	49%	0.494	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-68.6	-7.9	-179.7	28.4	-37.6	0	0	0	115.1	A165	A165-P167 VanDerWaalsContact C-CD 3.44Å; A165-P167 VanDerWaalsContact C-N 3.35Å; A165-P167 HydrophobicContact CB-CG 4.44Å; A165-P167 VanDerWaalsContact O-N 3.13Å
168	Y	96.5	Very high	96.8	Very high	37 Å²	37	51 Å²	51	15%	0.145	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-118.8	5.5	-176.3	-54	-45.3	0	0	0	113.7	L117 P119 R143 A165 H166 E170 T171 L172	L117-Y168 HydrophobicContact CD2-CD2 4.38Å; L117-Y168 HydrophobicContact CD2-CG 3.99Å; L117-Y168 HydrophobicContact CG-CD2 3.76Å; L117-Y168 HydrophobicContact CG-CG 3.89Å; P119-Y168 HydrophobicContact CB-CE2 3.98Å; P119-Y168 HydrophobicContact CG-CE2 4.18Å; R143-Y168 HydrophobicContact CB-CE1 4.06Å; R143-Y168 HydrophobicContact CB-CE2 4.47Å; R143-Y168 VanDerWaalsContact CD-CZ 3.46Å; R143-Y168 WeakPolarHBondContact CD-OH 3.28Å; A165-Y168 HydrophobicContact CB-CD2 4.09Å; A165-Y168 CarbonylContact O-C 3.55Å; A165-Y168 WeakPolarHBondContact O-CA 3.44Å; A165-Y168 PolarHBondContact O-N 3.13Å; H166-Y168 PolarHBondContact O-N 3.39Å; H166-Y168 VanDerWaalsContact O-N 3.09Å; Y168-E170 VanDerWaalsContact C-N 3.33Å; Y168-E170 PolarHBondContact O-N 3.02Å; Y168-T171 PolarHBondContact O-N 2.86Å; Y168-T171 VanDerWaalsContact O-N 3.11Å; Y168-L172 PolarHBondContact O-N 3.17Å
169	A	95.6	Very high	96.8	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-54.6	-49.1	174	0	0	0	0	0	111.3	A165 H166 T171 L172 E173 T185	A165-A169 PolarHBondContact O-N 3.09Å; H166-A169 PolarHBondContact O-N 3.41Å; A169-T171 PolarHBondContact O-N 2.98Å; A169-L172 PolarHBondContact O-N 3.46Å; A169-E173 HydrophobicContact CB-CG 4.5Å; A169-E173 WeakPolarHBondContact O-CB 3.49Å; A169-E173 WeakPolarHBondContact O-CG 3.3Å; A169-E173 PolarHBondContact O-N 3.43Å; A169-T185 HydrophobicContact CB-CG2 3.8Å
170	E	94.8	Very high	96.7	Very high	176 Å²	176	51.5 Å²	51.5	82%	0.822	28%	0.28	S	S	*	.	H	α-helix	trans	-62.4	-18.9	179.4	-62.2	-175.1	169.1	0	0	114.1	Y168 P174	Y168-E170 VanDerWaalsContact C-N 3.33Å; Y168-E170 PolarHBondContact O-N 3.02Å; E170-P174 WeakPolarHBondContact O-CD 3.42Å; E170-P174 WeakPolarHBondContact O-CG 3.31Å
171	T	92.9	Very high	96.7	Very high	53 Å²	53	52 Å²	52	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-89.9	-45.3	175	-58.1	0	0	0	0	111.5	L117 L147 L150 Y168 A169	L117-T171 HydrophobicContact CD2-CG2 4.44Å; L147-T171 HydrophobicContact CD2-CG2 3.67Å; L150-T171 HydrophobicContact CD1-CG2 4.27Å; Y168-T171 PolarHBondContact O-N 2.86Å; Y168-T171 VanDerWaalsContact O-N 3.11Å; A169-T171 PolarHBondContact O-N 2.98Å
172	L	96	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-86.1	-34.3	-172.7	-87.9	-174.4	0	0	0	114.2	L117 L141 I154 L162 A164 Y168 A169 L175 A176	L117-L172 HydrophobicContact CB-CD1 3.36Å; L117-L172 HydrophobicContact CB-CG 4Å; L117-L172 HydrophobicContact CD2-CD1 4.32Å; L117-L172 HydrophobicContact CD2-CG 4.03Å; L117-L172 HydrophobicContact CG-CD1 4.45Å; L141-L172 HydrophobicContact CD1-CD2 3.88Å; I154-L172 HydrophobicContact CD1-CD2 4.15Å; L162-L172 HydrophobicContact CD1-CD2 4.08Å; A164-L172 HydrophobicContact CB-CB 3.88Å; A164-L172 HydrophobicContact CB-CD1 3.76Å; A164-L172 HydrophobicContact CB-CG 4.41Å; Y168-L172 PolarHBondContact O-N 3.17Å; A169-L172 PolarHBondContact O-N 3.46Å; L172-L175 HydrophobicContact CD2-CD2 4.44Å; L172-L175 PolarHBondContact O-N 2.98Å; L172-A176 WeakPolarHBondContact O-CB 3.25Å; L172-A176 PolarHBondContact O-N 3Å
173	E	96.3	Very high	96.7	Very high	90 Å²	90	56.1 Å²	56.1	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-46.4	-178.7	-69.5	174.5	179.8	0	0	112.2	A169 L175 A176 Q177 T185	A169-E173 HydrophobicContact CB-CG 4.5Å; A169-E173 WeakPolarHBondContact O-CB 3.49Å; A169-E173 WeakPolarHBondContact O-CG 3.3Å; A169-E173 PolarHBondContact O-N 3.43Å; E173-L175 VanDerWaalsContact C-N 3.28Å; E173-L175 PolarHBondContact O-N 2.98Å; E173-A176 WeakPolarHBondContact O-CB 3.42Å; E173-A176 PolarHBondContact O-N 2.98Å; E173-Q177 PolarHBondContact O-N 2.98Å; E173-T185 PolarHBondContact OE1-OG1 2.82Å
174	P	97.1	Very high	96.6	Very high	73 Å²	73	57.9 Å²	57.9	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-35.7	175.2	-22.4	34.8	0	0	0	112.6	E170 Q177 K178	E170-P174 WeakPolarHBondContact O-CD 3.42Å; E170-P174 WeakPolarHBondContact O-CG 3.31Å; P174-Q177 PolarHBondContact O-N 3.19Å; P174-K178 WeakPolarHBondContact O-CB 3.42Å; P174-K178 PolarHBondContact O-N 3.39Å
175	L	95.9	Very high	96.6	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-39	178.1	-173.8	56.5	0	0	0	111.4	L150 E151 I154 L172 E173 K178 L179	L150-L175 HydrophobicContact CB-CD2 3.99Å; E151-L175 HydrophobicContact CB-CD1 3.88Å; E151-L175 HydrophobicContact CG-CD1 4.02Å; I154-L175 HydrophobicContact CD1-CD2 3.52Å; I154-L175 HydrophobicContact CD1-CG 4.15Å; L172-L175 HydrophobicContact CD2-CD2 4.44Å; L172-L175 PolarHBondContact O-N 2.98Å; E173-L175 VanDerWaalsContact C-N 3.28Å; E173-L175 PolarHBondContact O-N 2.98Å; L175-K178 HydrophobicContact CD1-CD 4.46Å; L175-K178 PolarHBondContact O-N 3.43Å; L175-L179 HydrophobicContact CD1-CD1 4.03Å; L175-L179 HydrophobicContact CD1-CG 4.34Å; L175-L179 HydrophobicContact CG-CD1 4.06Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 2.93Å
176	A	97.8	Very high	96.6	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-46.5	173.4	0	0	0	0	0	111	L162 L172 E173 K178 L179 G180 L181 C183	L162-A176 HydrophobicContact CD1-CB 3.7Å; L162-A176 HydrophobicContact CG-CB 4.36Å; L172-A176 WeakPolarHBondContact O-CB 3.25Å; L172-A176 PolarHBondContact O-N 3Å; E173-A176 WeakPolarHBondContact O-CB 3.42Å; E173-A176 PolarHBondContact O-N 2.98Å; A176-K178 PolarHBondContact O-N 3.14Å; A176-L179 CarbonylContact O-C 3.5Å; A176-L179 PolarHBondContact O-N 3.09Å; A176-G180 PolarHBondContact O-N 3.13Å; A176-L181 PolarHBondContact O-N 3.08Å; A176-C183 HydrophobicContact CB-CB 3.62Å
177	Q	97.8	Very high	96.7	Very high	162 Å²	162	56.5 Å²	56.5	76%	0.757	32%	0.315	S	S	*	.	H	α-helix	trans	-60.4	-46.2	177.2	-173.1	-177.8	12.5	0	0	111.4	E173 P174 L179 G180	E173-Q177 PolarHBondContact O-N 2.98Å; P174-Q177 PolarHBondContact O-N 3.19Å; Q177-L179 PolarHBondContact O-N 2.9Å; Q177-G180 PolarHBondContact O-N 2.84Å
178	K	97.5	Very high	96.8	Very high	134 Å²	134	55.2 Å²	55.2	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-57.3	-38.7	176	177.7	-178	171.8	-172.9	0	112.2	E151 P174 L175 A176	E151-K178 WeakPolarHBondContact OE1-CE 3.38Å; E151-K178 IonicContact OE1-NZ 3.76Å; E151-K178 PolarHBondContact OE1-NZ 3.19Å; E151-K178 IonicContact OE2-NZ 2.79Å; E151-K178 PolarHBondContact OE2-NZ 3.47Å; P174-K178 WeakPolarHBondContact O-CB 3.42Å; P174-K178 PolarHBondContact O-N 3.39Å; L175-K178 HydrophobicContact CD1-CD 4.46Å; L175-K178 PolarHBondContact O-N 3.43Å; A176-K178 PolarHBondContact O-N 3.14Å
179	L	97.9	Very high	96.8	Very high	50 Å²	50	53.9 Å²	53.9	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-90.4	-3.7	-177.3	-64.1	173.7	0	0	0	113.7	E151 I154 L175 A176 Q177 L181	E151-L179 HydrophobicContact CG-CD1 4.5Å; E151-L179 HydrophobicContact CG-CD2 4.24Å; I154-L179 HydrophobicContact CB-CD1 4.1Å; I154-L179 HydrophobicContact CG2-CD1 3.48Å; I154-L179 VanDerWaalsContact CG2-CD1 3.48Å; L175-L179 HydrophobicContact CD1-CD1 4.03Å; L175-L179 HydrophobicContact CD1-CG 4.34Å; L175-L179 HydrophobicContact CG-CD1 4.06Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 2.93Å; A176-L179 CarbonylContact O-C 3.5Å; A176-L179 PolarHBondContact O-N 3.09Å; Q177-L179 PolarHBondContact O-N 2.9Å; L179-L181 HydrophobicContact CB-CD1 4.03Å; L179-L181 HydrophobicContact CB-CG 4.06Å; L179-L181 HydrophobicContact CD1-CD1 4.4Å
180	G	97.9	Very high	96.7	Very high	69 Å²	69	57.7 Å²	57.7	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	32.5	-177.4	0	0	0	0	0	113.8	A176 Q177	A176-G180 PolarHBondContact O-N 3.13Å; Q177-G180 PolarHBondContact O-N 2.84Å
181	L	98.3	Very high	96.7	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.209	31%	0.311	C	S	.	.			trans	-107.1	145.3	-177.6	-63.5	175.8	0	0	0	111.7	I154 S159 L162 A176 L179	I154-L181 HydrophobicContact CG2-CD1 3.62Å; S159-L181 VanDerWaalsContact O-CD2 3.24Å; S159-L181 WeakPolarHBondContact O-CD2 3.47Å; L162-L181 HydrophobicContact CD2-CD1 4.14Å; L162-L181 HydrophobicContact CG-CD1 4.31Å; A176-L181 PolarHBondContact O-N 3.08Å; L179-L181 HydrophobicContact CB-CD1 4.03Å; L179-L181 HydrophobicContact CB-CG 4.06Å; L179-L181 HydrophobicContact CD1-CD1 4.4Å
182	P	98.1	Very high	96.7	Very high	48 Å²	48	51 Å²	51	31%	0.312	30%	0.297	S	S	.	.			trans	-63.9	141.4	167.3	27.1	-32.3	0	0	0	110.5	L102 S160 L161 L162	L102-P182 HydrophobicContact CD2-CG 4.19Å; S160-P182 VanDerWaalsContact O-CD 3.3Å; S160-P182 WeakPolarHBondContact O-CD 3.24Å; S160-P182 VanDerWaalsContact O-CG 3.32Å; S160-P182 WeakPolarHBondContact O-CG 3.25Å; L161-P182 HydrophobicContact CB-CG 4.02Å; L161-P182 HydrophobicContact CD1-CB 4.21Å; L161-P182 HydrophobicContact CD1-CG 4.06Å; L161-P182 HydrophobicContact CG-CB 4.41Å; L161-P182 HydrophobicContact CG-CG 4.11Å; L162-P182 PolarHBondContact N-O 2.87Å
183	C	98.3	Very high	96.4	Very high	38 Å²	38	54.6 Å²	54.6	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.2	176.1	-166.2	0	0	0	0	109.5	L162 A176	L162-C183 CarbonylContact O-C 3.34Å; L162-C183 WeakPolarHBondContact O-CA 3.39Å; A176-C183 HydrophobicContact CB-CB 3.62Å
184	L	98.1	Very high	96	Very high	38 Å²	38	52 Å²	52	20%	0.199	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.4	172	-63.5	179.6	0	0	0	109.4	L94 R97 I98 A101 L161 L162 V163 A164	L94-L184 HydrophobicContact CD1-CD1 4.27Å; R97-L184 HydrophobicContact CB-CD1 4.01Å; I98-L184 HydrophobicContact CB-CD1 4.49Å; I98-L184 HydrophobicContact CG1-CD1 3.86Å; A101-L184 HydrophobicContact CB-CD1 4.36Å; A101-L184 HydrophobicContact CB-CD2 4.25Å; L161-L184 HydrophobicContact CD1-CD1 3.99Å; L161-L184 HydrophobicContact CD1-CG 4.11Å; L161-L184 HydrophobicContact CD2-CD1 4.14Å; L161-L184 HydrophobicContact CD2-CG 4.24Å; L162-L184 PolarHBondContact O-N 3.09Å; V163-L184 CarbonylContact C-O 3.54Å; V163-L184 WeakPolarHBondContact CA-O 3.17Å; A164-L184 PolarHBondContact N-O 2.8Å
185	T	97.4	Very high	95.5	Very high	51 Å²	51	48.6 Å²	48.6	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.6	177.4	-61	0	0	0	0	109.6	A164 A169 E173	A164-T185 CarbonylContact O-C 3.52Å; A164-T185 WeakPolarHBondContact O-CA 3.36Å; A169-T185 HydrophobicContact CB-CG2 3.8Å; E173-T185 PolarHBondContact OE1-OG1 2.82Å
186	L	96.9	Very high	94.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-73.3	147.9	171.8	-74.4	168.5	0	0	0	110.1	L94 V126 A127 V163 A164 H166 L192 L195	L94-L186 HydrophobicContact CD1-CD2 4.31Å; L94-L186 HydrophobicContact CD2-CD2 3.89Å; V126-L186 HydrophobicContact CG1-CD2 4.31Å; A127-L186 HydrophobicContact CB-CD1 4.39Å; V163-L186 HydrophobicContact CG1-CD1 4.01Å; V163-L186 HydrophobicContact CG1-CG 3.96Å; A164-L186 PolarHBondContact O-N 2.92Å; H166-L186 PolarHBondContact N-O 3.42Å; L186-L192 HydrophobicContact CD2-CD2 4.4Å; L186-L195 HydrophobicContact CD2-CD1 3.68Å
187	P	95.6	Very high	92.9	Very high	23 Å²	23	58.4 Å²	58.4	15%	0.149	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.9	168.5	167.5	30.6	-35.3	0	0	0	110.8	D191 L192 L195	P187-D191 VanDerWaalsContact CG-O 3.29Å; P187-D191 WeakPolarHBondContact CG-O 3.04Å; P187-L192 HydrophobicContact CG-CD2 4.35Å; P187-L195 HydrophobicContact CG-CD1 4.44Å; P187-L195 HydrophobicContact CG-CD2 4.38Å; P187-L195 HydrophobicContact CG-CG 4.13Å
188	P	96.4	Very high	90.9	Very high	49 Å²	49	54.1 Å²	54.1	32%	0.318	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-49.6	144.3	167.5	-25.3	34.5	0	0	0	111.2	H166 S190 D191	H166-P188 HydrophobicContact CB-CG 4.48Å; P188-S190 PolarHBondContact O-N 3.35Å; P188-D191 CarbonylContact O-C 3.56Å; P188-D191 WeakPolarHBondContact O-CA 3.13Å; P188-D191 PolarHBondContact O-N 3.18Å
189	T	95.6	Very high	88.9	Confident	10 Å²	10	50.9 Å²	50.9	6%	0.061	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27.8	-176.2	-52.8	0	0	0	0	113	S79 H82 D121 A122 D191 L192	S79-T189 WeakPolarHBondContact OG-CB 3.44Å; H82-T189 PolarHBondContact CE1-O 2.84Å; D121-T189 HydrophobicContact CB-CG2 4.1Å; D121-T189 WeakPolarHBondContact OD2-CB 3.42Å; D121-T189 WeakPolarHBondContact OD2-CG2 3.44Å; D121-T189 PolarHBondContact OD2-OG1 3.28Å; A122-T189 HydrophobicContact CB-CG2 3.92Å; T189-D191 PolarHBondContact O-N 3.03Å; T189-L192 HydrophobicContact CG2-CD1 3.94Å; T189-L192 WeakPolarHBondContact O-CG 3.07Å
190	S	95	Very high	86.9	Confident	91 Å²	91	52.5 Å²	52.5	64%	0.636	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-69.3	-10	174.2	56.5	0	0	0	0	114.5	P188	P188-S190 PolarHBondContact O-N 3.35Å
191	D	94.6	Very high	85.1	Confident	84 Å²	84	50 Å²	50	45%	0.449	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-132.2	32.9	-173.9	-166.8	31.1	0	0	0	111.4	P187 P188 T189 D193 A194	P187-D191 VanDerWaalsContact CG-O 3.29Å; P187-D191 WeakPolarHBondContact CG-O 3.04Å; P188-D191 CarbonylContact O-C 3.56Å; P188-D191 WeakPolarHBondContact O-CA 3.13Å; P188-D191 PolarHBondContact O-N 3.18Å; T189-D191 PolarHBondContact O-N 3.03Å; D191-D193 PolarHBondContact O-N 3.27Å; D191-A194 WeakPolarHBondContact O-CB 3.18Å; D191-A194 PolarHBondContact O-N 3.17Å
192	L	93	Very high	83.2	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.5	-20.5	176.6	-72.6	170.2	0	0	0	112.8	S90 A122 V126 L186 P187 T189 A194 L195	S90-L192 PolarHBondContact OG-O 3.19Å; A122-L192 HydrophobicContact CB-CD1 3.79Å; V126-L192 HydrophobicContact CG2-CD1 4.02Å; L186-L192 HydrophobicContact CD2-CD2 4.4Å; P187-L192 HydrophobicContact CG-CD2 4.35Å; T189-L192 HydrophobicContact CG2-CD1 3.94Å; T189-L192 WeakPolarHBondContact O-CG 3.07Å; L192-A194 PolarHBondContact O-N 3.01Å; L192-L195 HydrophobicContact CD2-CD1 4.15Å; L192-L195 WeakPolarHBondContact O-CB 3.43Å; L192-L195 WeakPolarHBondContact O-CG 3.36Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-L195 VanDerWaalsContact O-N 3.15Å
193	D	88.5	Confident	81.3	Confident	76 Å²	76	57.3 Å²	57.3	41%	0.406	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-65.8	-22.3	176.6	-68.7	-19.6	0	0	0	111.5	Q86 D191 L195 D196	Q86-D193 PolarHBondContact NE2-OD2 3.2Å; D191-D193 PolarHBondContact O-N 3.27Å; D193-L195 PolarHBondContact O-N 2.64Å; D193-D196 VanDerWaalsContact O-CB 3.27Å; D193-D196 WeakPolarHBondContact O-CB 3.35Å; D193-D196 PolarHBondContact O-N 3.32Å
194	A	88.6	Confident	79.1	Confident	35 Å²	35	63.3 Å²	63.3	29%	0.289	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-63.6	-6.7	172.1	0	0	0	0	0	114.2	R97 D191 L192	R97-A194 PolarHBondContact NH2-O 3.39Å; D191-A194 WeakPolarHBondContact O-CB 3.18Å; D191-A194 PolarHBondContact O-N 3.17Å; L192-A194 PolarHBondContact O-N 3.01Å
195	L	86.7	Confident	77.1	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-82.8	-20.1	171.6	-63.6	171.9	0	0	0	112.8	G93 L94 R97 V126 L186 P187 L192 D193 D197	G93-L195 VanDerWaalsContact CA-O 3.28Å; G93-L195 WeakPolarHBondContact CA-O 3.36Å; L94-L195 HydrophobicContact CB-CD1 4.38Å; R97-L195 VanDerWaalsContact CZ-CD2 3.47Å; V126-L195 HydrophobicContact CG1-CD1 3.95Å; L186-L195 HydrophobicContact CD2-CD1 3.68Å; P187-L195 HydrophobicContact CG-CD1 4.44Å; P187-L195 HydrophobicContact CG-CD2 4.38Å; P187-L195 HydrophobicContact CG-CG 4.13Å; L192-L195 HydrophobicContact CD2-CD1 4.15Å; L192-L195 WeakPolarHBondContact O-CB 3.43Å; L192-L195 WeakPolarHBondContact O-CG 3.36Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-L195 VanDerWaalsContact O-N 3.15Å; D193-L195 PolarHBondContact O-N 2.64Å; L195-D197 VanDerWaalsContact C-N 3.25Å; L195-D197 PolarHBondContact O-N 2.92Å
196	D	76.6	Confident	75.2	Confident	73 Å²	73	66.4 Å²	66.4	39%	0.39	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.6	-174.2	-159.6	23.2	0	0	0	113.5	C89 D193 I198	C89-D196 WeakPolarHBondContact CB-OD1 2.84Å; D193-D196 VanDerWaalsContact O-CB 3.27Å; D193-D196 WeakPolarHBondContact O-CB 3.35Å; D193-D196 PolarHBondContact O-N 3.32Å; D196-I198 PolarHBondContact O-N 3.01Å; D196-I198 VanDerWaalsContact O-N 3.16Å
197	D	61.8	Low	73.4	Confident	149 Å²	149	71.7 Å²	71.7	80%	0.797	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-6.9	-175.3	-85.6	-22.2	0	0	0	115.4	L195	L195-D197 VanDerWaalsContact C-N 3.25Å; L195-D197 PolarHBondContact O-N 2.92Å
198	I	56.4	Low	71.5	Confident	71 Å²	71	74 Å²	74	36%	0.364	42%	0.419	S	S	.	.	S	Bend	trans	-98	118.1	178.6	-57.4	179.8	0	0	0	108.3	R97 D196 T200	R97-I198 HydrophobicContact CG-CD1 3.6Å; R97-I198 VanDerWaalsContact NE-CD1 3.3Å; D196-I198 PolarHBondContact O-N 3.01Å; D196-I198 VanDerWaalsContact O-N 3.16Å; I198-T200 PolarHBondContact O-N 3.1Å; I198-T200 VanDerWaalsContact O-N 3.14Å
199	G	54.9	Low	70	Confident	66 Å²	66	73.3 Å²	73.3	68%	0.68	41%	0.412	S	S	*	.			trans	-26.5	113.4	-179.2	0	0	0	0	0	113.2
200	T	56.3	Low	68.7	Low	85 Å²	85	78.7 Å²	78.7	52%	0.521	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-58.7	128.9	-176.8	-8.5	0	0	0	0	108.5	L92 I198 S202	L92-T200 HydrophobicContact CD1-CG2 3.92Å; I198-T200 PolarHBondContact O-N 3.1Å; I198-T200 VanDerWaalsContact O-N 3.14Å; T200-S202 PolarHBondContact O-N 2.81Å
201	P	59.6	Low	68	Low	17 Å²	17	79 Å²	79	11%	0.11	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-51.7	141.9	171.2	-20.3	29.9	0	0	0	109.1	F106	F106-P201 HydrophobicContact CD1-CB 4.45Å; F106-P201 HydrophobicContact CD1-CG 4.45Å; F106-P201 HydrophobicContact CD2-CB 4.47Å; F106-P201 HydrophobicContact CD2-CG 3.72Å; F106-P201 HydrophobicContact CE1-CB 4.45Å; F106-P201 HydrophobicContact CE1-CG 4.3Å; F106-P201 HydrophobicContact CE2-CB 4.46Å; F106-P201 HydrophobicContact CE2-CG 3.52Å; F106-P201 HydrophobicContact CG-CB 4.46Å; F106-P201 HydrophobicContact CG-CG 4.19Å; F106-P201 HydrophobicContact CZ-CB 4.45Å; F106-P201 HydrophobicContact CZ-CG 3.84Å
202	S	57.9	Low	67.8	Low	50 Å²	50	75.9 Å²	75.9	35%	0.35	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-60.6	144.5	177.3	63.7	0	0	0	0	109.5	T200 E204 E205 E206	T200-S202 PolarHBondContact O-N 2.81Å; S202-E204 PolarHBondContact O-N 3.22Å; S202-E205 PolarHBondContact N-OE2 2.93Å; S202-E205 PolarHBondContact O-N 2.98Å; S202-E205 VanDerWaalsContact OG-CD 3.32Å; S202-E205 WeakPolarHBondContact OG-CG 3.39Å; S202-E205 PolarHBondContact OG-N 2.84Å; S202-E205 PolarHBondContact OG-OE2 2.92Å; S202-E206 PolarHBondContact O-N 3.38Å
203	R	58.2	Low	67.7	Low	191 Å²	191	76 Å²	76	72%	0.721	42%	0.423	S	S	*	.	H	α-helix	trans	-53.5	-18.7	173.1	-87.4	-177.8	163	-173.3	-3.1	113.1	N207	R203-N207 WeakPolarHBondContact O-CB 3.38Å; R203-N207 PolarHBondContact O-N 2.72Å; R203-N207 PolarHBondContact O-ND2 3.14Å
204	E	51.9	Low	67.8	Low	164 Å²	164	76.3 Å²	76.3	77%	0.766	43%	0.425	S	S	*	.	H	α-helix	trans	-76.9	-38.7	177	-65.1	179.3	171.5	0	0	112	S202 N207 A208	S202-E204 PolarHBondContact O-N 3.22Å; E204-N207 PolarHBondContact O-N 3.44Å; E204-A208 PolarHBondContact O-N 3.44Å
205	E	56.9	Low	68	Low	110 Å²	110	77.6 Å²	77.6	51%	0.514	42%	0.423	S	S	.	.	H	α-helix	trans	-67.4	-33.9	174.5	-71.3	162	140.1	0	0	112.1	S202	S202-E205 PolarHBondContact N-OE2 2.93Å; S202-E205 PolarHBondContact O-N 2.98Å; S202-E205 VanDerWaalsContact OG-CD 3.32Å; S202-E205 WeakPolarHBondContact OG-CG 3.39Å; S202-E205 PolarHBondContact OG-N 2.84Å; S202-E205 PolarHBondContact OG-OE2 2.92Å
206	E	58.4	Low	68.5	Low	43 Å²	43	79.1 Å²	79.1	20%	0.201	43%	0.432	C	S	.	.	H	α-helix	trans	-69.1	-41.4	175.3	-66.3	-178.7	156.3	0	0	113	Y88 L92 S202 A208	Y88-E206 PolarHBondContact OH-OE1 3.19Å; Y88-E206 PolarHBondContact OH-OE2 3.45Å; L92-E206 VanDerWaalsContact CD1-OE1 3.31Å; L92-E206 WeakPolarHBondContact CD1-OE1 3.47Å; L92-E206 WeakPolarHBondContact CD2-OE1 3.36Å; S202-E206 PolarHBondContact O-N 3.38Å; E206-A208 VanDerWaalsContact C-N 3.26Å; E206-A208 PolarHBondContact O-N 3.22Å
207	N	57.6	Low	69.5	Low	113 Å²	113	75.6 Å²	75.6	60%	0.604	41%	0.414	S	S	*	.	H	α-helix	trans	-77.4	-9.1	-176.3	-78.9	-48.4	0	0	0	113.6	R203 E204 N209	R203-N207 WeakPolarHBondContact O-CB 3.38Å; R203-N207 PolarHBondContact O-N 2.72Å; R203-N207 PolarHBondContact O-ND2 3.14Å; E204-N207 PolarHBondContact O-N 3.44Å; N207-N209 VanDerWaalsContact C-N 3.27Å; N207-N209 PolarHBondContact O-N 3.05Å
208	A	56.8	Low	71.2	Confident	71 Å²	71	68.5 Å²	68.5	59%	0.587	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.5	177.9	0	0	0	0	0	112.9	E204 E206 T210	E204-A208 PolarHBondContact O-N 3.44Å; E206-A208 VanDerWaalsContact C-N 3.26Å; E206-A208 PolarHBondContact O-N 3.22Å; A208-T210 PolarHBondContact O-N 3.19Å
209	N	64	Low	73.2	Confident	35 Å²	35	65.2 Å²	65.2	19%	0.187	36%	0.359	C	S	.	.			trans	-86.1	96.8	-179.8	-85	-35.3	0	0	0	111.5	G107 N207 W212 R215	G107-N209 PolarHBondContact O-ND2 3.04Å; N207-N209 VanDerWaalsContact C-N 3.27Å; N207-N209 PolarHBondContact O-N 3.05Å; N209-W212 HydrophobicContact CB-CZ2 3.75Å; N209-W212 PolarHBondContact O-NE1 3.47Å; N209-R215 PolarHBondContact ND2-NH1 2.91Å; N209-R215 PolarHBondContact OD1-NH1 3.14Å; N209-R215 VanDerWaalsContact OD1-NH1 3.13Å; N209-R215 PolarHBondContact OD1-NH2 3.13Å
210	T	68	Low	75.1	Confident	123 Å²	123	62.1 Å²	62.1	76%	0.755	33%	0.327	S	S	*	.			trans	-103.8	-17.1	177.5	54	0	0	0	0	113.8	A208 W212	A208-T210 PolarHBondContact O-N 3.19Å; T210-W212 PolarHBondContact O-N 2.78Å
211	D	82.1	Confident	76.6	Confident	98 Å²	98	58.9 Å²	58.9	52%	0.524	31%	0.305	S	S	.	.			trans	-92.8	67	-179.2	-175.2	21.3	0	0	0	112.3	R215	D211-R215 WeakPolarHBondContact O-CD 3.45Å; D211-R215 VanDerWaalsContact O-CG 3.25Å; D211-R215 WeakPolarHBondContact O-CG 3.41Å; D211-R215 PolarHBondContact O-NE 2.74Å
212	W	89.4	Confident	77.3	Confident	18 Å²	18	59 Å²	59	7%	0.068	31%	0.306	C	S	.	.			trans	-84.4	-27.1	177.4	-70.6	103.2	0	0	0	113.4	V59 P61 F63 W132 N209 T210 D214 R215 H236	V59-W212 HydrophobicContact CG1-CB 4.22Å; P61-W212 HydrophobicContact CG-CD2 3.62Å; P61-W212 HydrophobicContact CG-CE3 3.63Å; P61-W212 HydrophobicContact CG-CG 4.14Å; P61-W212 HydrophobicContact CG-CH2 4.29Å; P61-W212 HydrophobicContact CG-CZ2 4.3Å; P61-W212 HydrophobicContact CG-CZ3 3.97Å; F63-W212 HydrophobicContact CZ-CH2 4.37Å; F63-W212 HydrophobicContact CZ-CZ2 4.36Å; W132-W212 WeakPolarHBondContact O-CH2 3.43Å; N209-W212 HydrophobicContact CB-CZ2 3.75Å; N209-W212 PolarHBondContact O-NE1 3.47Å; T210-W212 PolarHBondContact O-N 2.78Å; W212-D214 PolarHBondContact O-N 3.39Å; W212-R215 WeakPolarHBondContact O-CB 3.48Å; W212-R215 PolarHBondContact O-N 3.07Å; W212-H236 HydrophobicContact CB-CB 4.39Å; W212-H236 AromaticContact CE3-CD2 3.71Å; W212-H236 AromaticContact CE3-NE2 3.6Å; W212-H236 AromaticContact CZ3-NE2 3.75Å; W212-H236 WeakPolarHBondContact O-CB 3.47Å
213	A	91.2	Very high	77.4	Confident	6 Å²	6	59.7 Å²	59.7	5%	0.05	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-51.3	-162.2	0	0	0	0	0	113.6	V59 T235 S237	V59-A213 HydrophobicContact CB-CB 4.03Å; V59-A213 HydrophobicContact CG2-CB 3.79Å; A213-T235 WeakPolarHBondContact O-CB 3.23Å; A213-S237 WeakPolarHBondContact O-CB 3.28Å; A213-S237 PolarHBondContact O-N 2.8Å; A213-S237 VanDerWaalsContact O-N 3.14Å; A213-S237 PolarHBondContact O-OG 3.37Å
214	D	90.1	Very high	76.9	Confident	84 Å²	84	51.5 Å²	51.5	45%	0.449	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.8	-174.3	-66.4	-37.7	0	0	0	113	W212	W212-D214 PolarHBondContact O-N 3.39Å
215	R	92.9	Very high	76.6	Confident	62 Å²	62	46 Å²	46	23%	0.234	26%	0.263	C	S	.	.	S	Bend	trans	-65.2	129.7	176.3	-74.9	-177.1	-175.9	-171.3	-1	110.5	N209 D211 W212 A217 T235 H236	N209-R215 PolarHBondContact ND2-NH1 2.91Å; N209-R215 PolarHBondContact OD1-NH1 3.14Å; N209-R215 VanDerWaalsContact OD1-NH1 3.13Å; N209-R215 PolarHBondContact OD1-NH2 3.13Å; D211-R215 WeakPolarHBondContact O-CD 3.45Å; D211-R215 VanDerWaalsContact O-CG 3.25Å; D211-R215 WeakPolarHBondContact O-CG 3.41Å; D211-R215 PolarHBondContact O-NE 2.74Å; W212-R215 WeakPolarHBondContact O-CB 3.48Å; W212-R215 PolarHBondContact O-N 3.07Å; R215-A217 PolarHBondContact O-N 3Å; R215-T235 CarbonylContact O-C 3.26Å; R215-T235 WeakPolarHBondContact O-CA 3.2Å; R215-T235 WeakPolarHBondContact O-CB 3.39Å; R215-H236 PolarHBondContact O-CD2 3.36Å; R215-H236 PolarHBondContact O-N 2.79Å
216	P	96.4	Very high	76.1	Confident	32 Å²	32	45.3 Å²	45.3	21%	0.208	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	125	164.8	-33	41.6	0	0	0	111.5	T137 L233	T137-P216 HydrophobicContact CG2-CB 3.96Å; T137-P216 WeakPolarHBondContact OG1-CB 3.5Å; P216-L233 HydrophobicContact CB-CD1 3.85Å; P216-L233 HydrophobicContact CB-CD2 4.46Å; P216-L233 HydrophobicContact CG-CD2 4.4Å
217	A	97.7	Very high	76.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-49.1	-179.8	0	0	0	0	0	111.4	W132 V138 R215 H234 H236 I239	W132-A217 PolarHBondContact NE1-O 2.94Å; V138-A217 PolarHBondContact N-O 3.29Å; R215-A217 PolarHBondContact O-N 3Å; A217-H234 PolarHBondContact N-O 3.06Å; A217-H236 HydrophobicContact CB-CB 4.39Å; A217-I239 HydrophobicContact CB-CG1 4.06Å
218	M	98.3	Very high	76.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137	-170.3	-175.1	171.1	56.8	0	0	111.9	V138 P140 V220 H234 I239 I270	V138-M218 HydrophobicContact CG2-CB 4.01Å; V138-M218 HydrophobicContact CG2-CG 3.87Å; V138-M218 HydrophobicContact CG2-SD 4.38Å; V138-M218 VanDerWaalsContact O-CA 3.27Å; V138-M218 WeakPolarHBondContact O-CA 3.36Å; P140-M218 HydrophobicContact CG-SD 4.31Å; M218-V220 HydrophobicContact CE-CG2 3.67Å; M218-V220 HydrophobicContact CG-CG2 3.77Å; M218-V220 HydrophobicContact SD-CG2 3.77Å; M218-H234 PolarHBondContact N-O 3.47Å; M218-H234 PolarHBondContact O-N 3.4Å; M218-I239 HydrophobicContact CE-CD1 3.76Å; M218-I270 HydrophobicContact CE-CD1 4.38Å; M218-I270 HydrophobicContact CE-CG2 3.96Å; M218-I270 HydrophobicContact SD-CD1 3.92Å; M218-I270 HydrophobicContact SD-CG2 4.01Å
219	I	98.6	Very high	77.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.5	167.9	-57.3	173	0	0	0	108.4	R113 T137 V138 V139 P140 Y221 V232 L233 W451	R113-I219 HydrophobicContact CG-CD1 3.77Å; T137-I219 HydrophobicContact CG2-CD1 4.25Å; T137-I219 HydrophobicContact CG2-CG1 3.88Å; V138-I219 PolarHBondContact O-N 2.87Å; V139-I219 HydrophobicContact CG2-CB 4.2Å; V139-I219 HydrophobicContact CG2-CD1 4.43Å; P140-I219 WeakPolarHBondContact CD-O 3.49Å; I219-Y221 HydrophobicContact CG2-CD2 4.15Å; I219-Y221 HydrophobicContact CG2-CE2 3.69Å; I219-V232 WeakPolarHBondContact CA-O 3.35Å; I219-L233 HydrophobicContact CD1-CD1 4.42Å; I219-L233 HydrophobicContact CG1-CB 4.31Å; I219-L233 HydrophobicContact CG1-CD1 3.67Å; I219-W451 HydrophobicContact CD1-CB 4.3Å; I219-W451 HydrophobicContact CD1-CD2 3.73Å; I219-W451 HydrophobicContact CD1-CE3 3.96Å; I219-W451 HydrophobicContact CD1-CG 3.88Å; I219-W451 HydrophobicContact CG2-CB 4.49Å
220	V	94.9	Very high	78.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.4	175.7	-177.2	0	0	0	0	109.2	M218 V232 H265 V267 I270 T378	M218-V220 HydrophobicContact CE-CG2 3.67Å; M218-V220 HydrophobicContact CG-CG2 3.77Å; M218-V220 HydrophobicContact SD-CG2 3.77Å; V220-V232 PolarHBondContact N-O 2.83Å; V220-V232 WeakPolarHBondContact O-CB 3.36Å; V220-V232 PolarHBondContact O-N 3.25Å; V220-H265 VanDerWaalsContact CG1-O 3.27Å; V220-H265 WeakPolarHBondContact CG1-O 3.3Å; V220-V267 HydrophobicContact CG2-CG1 4.44Å; V220-I270 HydrophobicContact CG2-CD1 4.35Å; V220-T378 HydrophobicContact CB-CG2 3.73Å; V220-T378 HydrophobicContact CG1-CG2 3.77Å
221	Y	87.3	Confident	79.8	Confident	18 Å²	18	40.9 Å²	40.9	7%	0.071	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131	178.7	-80.9	-98.9	0	0	0	111.4	V139 Y152 I153 D156 S157 I219 P229 K230	V139-Y221 HydrophobicContact CG1-CD2 4.33Å; V139-Y221 HydrophobicContact CG1-CE2 4.04Å; Y152-Y221 HydrophobicContact CE1-CD1 4.44Å; Y152-Y221 HydrophobicContact CE1-CE1 4.23Å; I153-Y221 HydrophobicContact CB-CD2 4.35Å; I153-Y221 HydrophobicContact CB-CE2 4.36Å; I153-Y221 HydrophobicContact CD1-CG 4.29Å; I153-Y221 HydrophobicContact CG1-CD1 4Å; I153-Y221 HydrophobicContact CG1-CD2 4.07Å; I153-Y221 HydrophobicContact CG1-CE1 4.37Å; I153-Y221 HydrophobicContact CG1-CE2 4.45Å; I153-Y221 HydrophobicContact CG1-CG 3.84Å; I153-Y221 HydrophobicContact CG2-CD2 3.6Å; I153-Y221 HydrophobicContact CG2-CE2 3.59Å; I153-Y221 HydrophobicContact CG2-CG 4.26Å; D156-Y221 HydrophobicContact CB-CE1 4.3Å; D156-Y221 WeakPolarHBondContact CB-OH 3.21Å; D156-Y221 VanDerWaalsContact OD2-CE1 3.28Å; D156-Y221 WeakPolarHBondContact OD2-CE1 3.43Å; D156-Y221 PolarHBondContact OD2-OH 2.89Å; S157-Y221 WeakPolarHBondContact CA-OH 3.5Å; S157-Y221 WeakPolarHBondContact CB-OH 3.35Å; S157-Y221 PolarHBondContact N-OH 3.27Å; I219-Y221 HydrophobicContact CG2-CD2 4.15Å; I219-Y221 HydrophobicContact CG2-CE2 3.69Å; Y221-P229 HydrophobicContact CD1-CB 3.82Å; Y221-P229 HydrophobicContact CG-CB 4.47Å; Y221-K230 WeakPolarHBondContact CA-O 3.37Å
222	T	75.8	Confident	80.5	Confident	19 Å²	19	36.2 Å²	36.2	12%	0.117	20%	0.202	C	C	.	.			trans	-81.5	148.3	174.4	58.9	0	0	0	0	110.5	G224 P229 K230 V232 T378	T222-G224 PolarHBondContact O-N 3.06Å; T222-P229 WeakPolarHBondContact O-CA 3.24Å; T222-P229 WeakPolarHBondContact O-CB 3.47Å; T222-K230 PolarHBondContact N-O 2.83Å; T222-K230 PolarHBondContact OG1-N 2.9Å; T222-K230 PolarHBondContact OG1-O 2.91Å; T222-V232 HydrophobicContact CG2-CG2 3.6Å; T222-T378 HydrophobicContact CG2-CG2 4.18Å
223	S	58.7	Low	80.9	Confident	64 Å²	64	35.4 Å²	35.4	45%	0.448	20%	0.199	S	C	.	.			trans	-72.9	26.6	178	66.9	0	0	0	0	114.2
224	G	48.6	Very low	81.3	Confident	20 Å²	20	35.1 Å²	35.1	21%	0.206	20%	0.196	C	C	.	.			trans	26.2	90.3	175.5	0	0	0	0	0	116.9	T222 T226	T222-G224 PolarHBondContact O-N 3.06Å; G224-T226 PolarHBondContact O-N 3.36Å
225	T	45.2	Very low	81.6	Confident	48 Å²	48	31.7 Å²	31.7	29%	0.294	18%	0.178	S	C	.	.	S	Bend	trans	-74.6	-7.7	173.4	58.2	0	0	0	0	113.1	R485 K581	T225-R485 PolarHBondContact OG1-NH1 2.92Å; T225-K581 WeakPolarHBondContact O-CD 3.44Å; T225-K581 WeakPolarHBondContact O-CE 3.26Å; T225-K581 PolarHBondContact O-NZ 3.33Å
226	T	46.7	Very low	81.8	Confident	96 Å²	96	29.1 Å²	29.1	59%	0.589	17%	0.169	S	C	*	.	S	Bend	trans	-126.4	0.8	-174.1	57.2	0	0	0	0	113.9	G224	G224-T226 PolarHBondContact O-N 3.36Å
227	G	59.2	Low	81.8	Confident	48 Å²	48	29.1 Å²	29.1	50%	0.495	17%	0.17	S	C	.	.	S	Bend	trans	168.1	-164.6	-172.5	0	0	0	0	0	112.2
228	R	65.7	Low	81.8	Confident	179 Å²	179	29.2 Å²	29.2	68%	0.675	17%	0.17	S	C	*	.	S	Bend	trans	-58.9	149.5	174	-71.2	-168.2	-180	-165.1	1	111.1	Y152 K230	Y152-R228 HydrophobicContact CE1-CB 4.06Å; R228-K230 PolarHBondContact O-N 2.84Å
229	P	77.1	Confident	81.8	Confident	17 Å²	17	29.4 Å²	29.4	11%	0.11	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-47	135.9	176.1	-33.2	39.1	0	0	0	113.3	Y152 Y221 T222	Y152-P229 HydrophobicContact CE1-CB 4.07Å; Y152-P229 HydrophobicContact CE1-CG 4.42Å; Y152-P229 WeakPolarHBondContact CE1-O 3.36Å; Y152-P229 PolarHBondContact OH-O 3.21Å; Y221-P229 HydrophobicContact CD1-CB 3.82Å; Y221-P229 HydrophobicContact CG-CB 4.47Å; T222-P229 WeakPolarHBondContact O-CA 3.24Å; T222-P229 WeakPolarHBondContact O-CB 3.47Å
230	K	84.8	Confident	81.8	Confident	48 Å²	48	30.1 Å²	30.1	21%	0.209	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-103.2	130.8	176.7	-58	-179.7	-176.8	-175.8	0	109.6	Y221 T222 R228 V232 Y450	Y221-K230 WeakPolarHBondContact CA-O 3.37Å; T222-K230 PolarHBondContact N-O 2.83Å; T222-K230 PolarHBondContact OG1-N 2.9Å; T222-K230 PolarHBondContact OG1-O 2.91Å; R228-K230 PolarHBondContact O-N 2.84Å; K230-V232 PolarHBondContact O-N 3.4Å; K230-Y450 HydrophobicContact CB-CD1 3.95Å; K230-Y450 HydrophobicContact CB-CE1 4.35Å; K230-Y450 HydrophobicContact CD-CD1 4.18Å; K230-Y450 HydrophobicContact CD-CE1 4.2Å
231	G	94.6	Very high	81.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.4	173.2	0	0	0	0	0	111	Y450 W451	G231-Y450 CarbonylContact O-C 3.59Å; G231-Y450 WeakPolarHBondContact O-CA 3.19Å; G231-W451 PolarHBondContact O-N 3.45Å
232	V	97.6	Very high	82.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.3	176.6	175.8	0	0	0	0	108.2	I219 V220 T222 K230 H234 T378 E379 F447 Y450	I219-V232 WeakPolarHBondContact CA-O 3.35Å; V220-V232 PolarHBondContact N-O 2.83Å; V220-V232 WeakPolarHBondContact O-CB 3.36Å; V220-V232 PolarHBondContact O-N 3.25Å; T222-V232 HydrophobicContact CG2-CG2 3.6Å; K230-V232 PolarHBondContact O-N 3.4Å; V232-H234 WeakPolarHBondContact CG1-NE2 3.38Å; V232-T378 HydrophobicContact CB-CG2 3.71Å; V232-T378 HydrophobicContact CG1-CG2 3.91Å; V232-T378 HydrophobicContact CG2-CG2 3.85Å; V232-E379 HydrophobicContact CG1-CB 4.47Å; V232-E379 HydrophobicContact CG1-CG 4.15Å; V232-E379 HydrophobicContact CG2-CG 3.88Å; V232-F447 HydrophobicContact CB-CD2 4.3Å; V232-F447 HydrophobicContact CG1-CB 3.51Å; V232-F447 HydrophobicContact CG1-CD2 3.46Å; V232-F447 VanDerWaalsContact CG1-CD2 3.46Å; V232-F447 HydrophobicContact CG1-CE2 4.39Å; V232-F447 HydrophobicContact CG1-CG 3.75Å; V232-Y450 HydrophobicContact CG2-CD1 4.04Å; V232-Y450 HydrophobicContact CG2-CE1 3.89Å
233	L	98.5	Very high	83.4	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.1	-178.8	175.5	62.1	0	0	0	111.4	T137 P216 I219 K448 E449 W451	T137-L233 HydrophobicContact CG2-CD1 3.93Å; P216-L233 HydrophobicContact CB-CD1 3.85Å; P216-L233 HydrophobicContact CB-CD2 4.46Å; P216-L233 HydrophobicContact CG-CD2 4.4Å; I219-L233 HydrophobicContact CD1-CD1 4.42Å; I219-L233 HydrophobicContact CG1-CB 4.31Å; I219-L233 HydrophobicContact CG1-CD1 3.67Å; L233-K448 HydrophobicContact CD2-CD 4.09Å; L233-K448 HydrophobicContact CG-CB 4.47Å; L233-K448 PolarHBondContact O-N 3.38Å; L233-E449 HydrophobicContact CB-CG 4.22Å; L233-E449 HydrophobicContact CD2-CG 4.07Å; L233-E449 PolarHBondContact N-O 2.98Å; L233-W451 HydrophobicContact CD2-CE3 4.06Å; L233-W451 HydrophobicContact CD2-CZ3 4.23Å
234	H	98.4	Very high	85.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	146.4	167.9	-71.1	-86.7	0	0	0	111.7	A217 M218 V232 S238 I239 T378	A217-H234 PolarHBondContact N-O 3.06Å; M218-H234 PolarHBondContact N-O 3.47Å; M218-H234 PolarHBondContact O-N 3.4Å; V232-H234 WeakPolarHBondContact CG1-NE2 3.38Å; H234-S238 WeakPolarHBondContact CB-OG 3.42Å; H234-S238 PolarHBondContact ND1-OG 3.21Å; H234-I239 HydrophobicContact CB-CD1 3.52Å; H234-I239 HydrophobicContact CB-CG1 4.01Å; H234-T378 PolarHBondContact CE1-O 2.84Å; H234-T378 VanDerWaalsContact CE1-O 3.29Å; H234-T378 PolarHBondContact NE2-O 2.81Å
235	T	97.8	Very high	87.5	Confident	12 Å²	12	30.1 Å²	30.1	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	165.7	169.8	55	0	0	0	0	110.3	A213 R215 S237 S238 I239 K448	A213-T235 WeakPolarHBondContact O-CB 3.23Å; R215-T235 CarbonylContact O-C 3.26Å; R215-T235 WeakPolarHBondContact O-CA 3.2Å; R215-T235 WeakPolarHBondContact O-CB 3.39Å; T235-S237 PolarHBondContact O-N 2.93Å; T235-S237 PolarHBondContact OG1-OG 3.09Å; T235-S238 PolarHBondContact N-OG 3.44Å; T235-S238 VanDerWaalsContact N-OG 3.16Å; T235-S238 PolarHBondContact O-N 2.84Å; T235-S238 PolarHBondContact O-OG 2.85Å; T235-S238 PolarHBondContact OG1-N 3.26Å; T235-S238 PolarHBondContact OG1-OG 2.98Å; T235-I239 WeakPolarHBondContact O-CG1 3.26Å; T235-I239 PolarHBondContact O-N 3.08Å; T235-K448 HydrophobicContact CG2-CB 4.25Å; T235-K448 HydrophobicContact CG2-CD 3.8Å
236	H	97.3	Very high	90	Very high	8 Å²	8	28 Å²	28	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-33	173.4	-70.7	-84.3	0	0	0	112	V59 W132 W212 R215 A217 I239 Q240	V59-H236 HydrophobicContact CG1-CB 3.92Å; W132-H236 AromaticContact CD1-CE1 3.7Å; W132-H236 AromaticContact CD2-CE1 3.99Å; W132-H236 AromaticContact CG-CE1 3.68Å; W212-H236 HydrophobicContact CB-CB 4.39Å; W212-H236 AromaticContact CE3-CD2 3.71Å; W212-H236 AromaticContact CE3-NE2 3.6Å; W212-H236 AromaticContact CZ3-NE2 3.75Å; W212-H236 WeakPolarHBondContact O-CB 3.47Å; R215-H236 PolarHBondContact O-CD2 3.36Å; R215-H236 PolarHBondContact O-N 2.79Å; A217-H236 HydrophobicContact CB-CB 4.39Å; H236-I239 PolarHBondContact O-N 3Å; H236-Q240 VanDerWaalsContact O-CB 3.29Å; H236-Q240 WeakPolarHBondContact O-CB 3.33Å; H236-Q240 PolarHBondContact O-N 3.16Å
237	S	96.3	Very high	92.4	Very high	32 Å²	32	24.4 Å²	24.4	22%	0.224	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-43.4	174.6	51.9	0	0	0	0	112.4	A213 T235 Q240 A241	A213-S237 WeakPolarHBondContact O-CB 3.28Å; A213-S237 PolarHBondContact O-N 2.8Å; A213-S237 VanDerWaalsContact O-N 3.14Å; A213-S237 PolarHBondContact O-OG 3.37Å; T235-S237 PolarHBondContact O-N 2.93Å; T235-S237 PolarHBondContact OG1-OG 3.09Å; S237-Q240 PolarHBondContact O-N 2.95Å; S237-A241 WeakPolarHBondContact O-CB 3.36Å; S237-A241 PolarHBondContact O-N 3.47Å
238	S	97.4	Very high	94.2	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.134	C	C	.	.	H	α-helix	trans	-73.3	-34.6	179	67.9	0	0	0	0	112.8	H234 T235 A241 M242 P444	H234-S238 WeakPolarHBondContact CB-OG 3.42Å; H234-S238 PolarHBondContact ND1-OG 3.21Å; T235-S238 PolarHBondContact N-OG 3.44Å; T235-S238 VanDerWaalsContact N-OG 3.16Å; T235-S238 PolarHBondContact O-N 2.84Å; T235-S238 PolarHBondContact O-OG 2.85Å; T235-S238 PolarHBondContact OG1-N 3.26Å; T235-S238 PolarHBondContact OG1-OG 2.98Å; S238-A241 PolarHBondContact O-N 3.19Å; S238-M242 WeakPolarHBondContact O-CG 2.94Å; S238-M242 PolarHBondContact O-N 3.29Å; S238-P444 VanDerWaalsContact CA-O 3.22Å; S238-P444 WeakPolarHBondContact CA-O 3.34Å; S238-P444 WeakPolarHBondContact CB-O 3.38Å
239	I	98.1	Very high	95.6	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-60.8	-49.1	169.5	-61.6	-52.1	0	0	0	111.3	A217 M218 H234 T235 H236 A241 M242 V243 L275	A217-I239 HydrophobicContact CB-CG1 4.06Å; M218-I239 HydrophobicContact CE-CD1 3.76Å; H234-I239 HydrophobicContact CB-CD1 3.52Å; H234-I239 HydrophobicContact CB-CG1 4.01Å; T235-I239 WeakPolarHBondContact O-CG1 3.26Å; T235-I239 PolarHBondContact O-N 3.08Å; H236-I239 PolarHBondContact O-N 3Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.02Å; I239-M242 HydrophobicContact CD1-CE 3.36Å; I239-M242 HydrophobicContact CG1-CE 4.42Å; I239-M242 PolarHBondContact O-N 3.01Å; I239-V243 HydrophobicContact CG2-CG2 4.48Å; I239-V243 WeakPolarHBondContact O-CG2 3.27Å; I239-V243 PolarHBondContact O-N 2.83Å; I239-L275 HydrophobicContact CG2-CD1 3.58Å
240	Q	97.4	Very high	96.6	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.07	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-42.3	179.6	176.9	172.3	-50.5	0	0	111.4	N58 V59 R60 H236 S237 M242 V243 Q244 W279	N58-Q240 PolarHBondContact O-NE2 2.91Å; V59-Q240 VanDerWaalsContact CA-OE1 3.29Å; V59-Q240 HydrophobicContact CG1-CB 4.46Å; R60-Q240 PolarHBondContact O-OE1 3.22Å; H236-Q240 VanDerWaalsContact O-CB 3.29Å; H236-Q240 WeakPolarHBondContact O-CB 3.33Å; H236-Q240 PolarHBondContact O-N 3.16Å; S237-Q240 PolarHBondContact O-N 2.95Å; Q240-M242 VanDerWaalsContact C-N 3.35Å; Q240-M242 PolarHBondContact O-N 3Å; Q240-V243 PolarHBondContact O-N 3.3Å; Q240-Q244 HydrophobicContact CG-CG 3.95Å; Q240-Q244 WeakPolarHBondContact O-CB 3.43Å; Q240-Q244 WeakPolarHBondContact O-CG 3.35Å; Q240-Q244 PolarHBondContact O-N 2.85Å; Q240-W279 HydrophobicContact CG-CH2 3.71Å; Q240-W279 HydrophobicContact CG-CZ2 4.4Å; Q240-W279 HydrophobicContact CG-CZ3 4.22Å
241	A	96.9	Very high	97.3	Very high	17 Å²	17	20.5 Å²	20.5	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-46	176	0	0	0	0	0	111.7	S237 S238 I239 V243 C245 P444	S237-A241 WeakPolarHBondContact O-CB 3.36Å; S237-A241 PolarHBondContact O-N 3.47Å; S238-A241 PolarHBondContact O-N 3.19Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.02Å; A241-V243 VanDerWaalsContact C-N 3.35Å; A241-V243 PolarHBondContact O-N 2.9Å; A241-C245 WeakPolarHBondContact O-CB 3.35Å; A241-C245 PolarHBondContact O-N 2.89Å; A241-C245 VanDerWaalsContact O-N 3.09Å; A241-P444 HydrophobicContact CB-CB 3.75Å; A241-P444 HydrophobicContact CB-CG 3.87Å
242	M	97.6	Very high	97.4	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.03	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-45	174.7	-71.5	-173.5	-83.6	0	0	112.3	S238 I239 Q240 L246 V271 G381	S238-M242 WeakPolarHBondContact O-CG 2.94Å; S238-M242 PolarHBondContact O-N 3.29Å; I239-M242 HydrophobicContact CD1-CE 3.36Å; I239-M242 HydrophobicContact CG1-CE 4.42Å; I239-M242 PolarHBondContact O-N 3.01Å; Q240-M242 VanDerWaalsContact C-N 3.35Å; Q240-M242 PolarHBondContact O-N 3Å; M242-L246 WeakPolarHBondContact O-CG 3.42Å; M242-L246 PolarHBondContact O-N 3.31Å; M242-V271 HydrophobicContact CB-CG1 3.88Å; M242-V271 HydrophobicContact CE-CG2 4.31Å; M242-V271 HydrophobicContact SD-CG2 4.28Å; M242-G381 WeakPolarHBondContact SD-CA 3.14Å
243	V	98.2	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-52.7	-178.7	170.1	0	0	0	0	111.6	I239 Q240 A241 C245 L246 V247 V271 L275 W279	I239-V243 HydrophobicContact CG2-CG2 4.48Å; I239-V243 WeakPolarHBondContact O-CG2 3.27Å; I239-V243 PolarHBondContact O-N 2.83Å; Q240-V243 PolarHBondContact O-N 3.3Å; A241-V243 VanDerWaalsContact C-N 3.35Å; A241-V243 PolarHBondContact O-N 2.9Å; V243-C245 VanDerWaalsContact C-N 3.3Å; V243-C245 PolarHBondContact O-N 3.49Å; V243-L246 PolarHBondContact O-N 3.36Å; V243-V247 HydrophobicContact CG1-CG2 4.04Å; V243-V247 WeakPolarHBondContact O-CB 3.5Å; V243-V247 VanDerWaalsContact O-CG2 3.24Å; V243-V247 WeakPolarHBondContact O-CG2 3.22Å; V243-V247 PolarHBondContact O-N 3.16Å; V243-V271 HydrophobicContact CG2-CG1 4.03Å; V243-L275 HydrophobicContact CG2-CB 3.69Å; V243-L275 HydrophobicContact CG2-CD1 4.43Å; V243-W279 HydrophobicContact CG1-CB 3.54Å; V243-W279 HydrophobicContact CG1-CD2 3.63Å; V243-W279 HydrophobicContact CG1-CE3 3.93Å; V243-W279 HydrophobicContact CG1-CG 3.48Å; V243-W279 VanDerWaalsContact CG1-CG 3.48Å
244	Q	96.4	Very high	97.5	Very high	86 Å²	86	29.9 Å²	29.9	40%	0.402	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-41.4	-176.7	-71.5	-175.4	-63.7	0	0	111.8	Q240 V247 S248 W279	Q240-Q244 HydrophobicContact CG-CG 3.95Å; Q240-Q244 WeakPolarHBondContact O-CB 3.43Å; Q240-Q244 WeakPolarHBondContact O-CG 3.35Å; Q240-Q244 PolarHBondContact O-N 2.85Å; Q244-V247 PolarHBondContact O-N 2.79Å; Q244-S248 WeakPolarHBondContact O-CB 3.32Å; Q244-S248 PolarHBondContact O-N 2.92Å; Q244-W279 HydrophobicContact CG-CH2 4.34Å; Q244-W279 HydrophobicContact CG-CZ2 3.67Å
245	C	95.9	Very high	97.5	Very high	14 Å²	14	35.2 Å²	35.2	10%	0.095	20%	0.198	C	C	.	.	H	α-helix	trans	-53.7	-54.9	173.8	171.9	0	0	0	0	111.5	A241 V243 S248 E249 L401	A241-C245 WeakPolarHBondContact O-CB 3.35Å; A241-C245 PolarHBondContact O-N 2.89Å; A241-C245 VanDerWaalsContact O-N 3.09Å; V243-C245 VanDerWaalsContact C-N 3.3Å; V243-C245 PolarHBondContact O-N 3.49Å; C245-S248 PolarHBondContact O-N 3.47Å; C245-E249 WeakPolarHBondContact O-CB 3.42Å; C245-E249 WeakPolarHBondContact O-CG 3.4Å; C245-E249 PolarHBondContact O-N 3.48Å; C245-L401 WeakPolarHBondContact SG-CB 3.38Å
246	L	97.8	Very high	97.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-69.5	-36	-178.6	-65.9	-179.8	0	0	0	112.6	M242 V243 S248 W250 V271 N272 M382 L401	M242-L246 WeakPolarHBondContact O-CG 3.42Å; M242-L246 PolarHBondContact O-N 3.31Å; V243-L246 PolarHBondContact O-N 3.36Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 3.38Å; L246-W250 HydrophobicContact CB-CE3 4.31Å; L246-W250 HydrophobicContact CD1-CH2 4.43Å; L246-W250 HydrophobicContact CD1-CZ3 4.12Å; L246-W250 HydrophobicContact CD2-CD2 4.11Å; L246-W250 HydrophobicContact CD2-CE3 4.07Å; L246-W250 HydrophobicContact CD2-CH2 3.76Å; L246-W250 HydrophobicContact CD2-CZ2 3.78Å; L246-W250 HydrophobicContact CD2-CZ3 3.9Å; L246-W250 HydrophobicContact CG-CZ3 4.44Å; L246-W250 WeakPolarHBondContact O-CB 3.46Å; L246-W250 PolarHBondContact O-N 3.02Å; L246-V271 HydrophobicContact CD1-CG1 4.34Å; L246-N272 HydrophobicContact CD1-CB 4.31Å; L246-N272 WeakPolarHBondContact CD1-OD1 3.24Å; L246-M382 HydrophobicContact CD1-CG 3.91Å; L246-M382 HydrophobicContact CD2-CB 4Å; L246-M382 HydrophobicContact CD2-CG 3.98Å; L246-M382 HydrophobicContact CG-CG 4.43Å; L246-L401 HydrophobicContact CD2-CD1 4.11Å
247	V	97.9	Very high	97.6	Very high	22 Å²	22	35.1 Å²	35.1	13%	0.133	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-45.7	175.8	164.3	0	0	0	0	111	V243 Q244 A251 W252 C276 W279 V280	V243-V247 HydrophobicContact CG1-CG2 4.04Å; V243-V247 WeakPolarHBondContact O-CB 3.5Å; V243-V247 VanDerWaalsContact O-CG2 3.24Å; V243-V247 WeakPolarHBondContact O-CG2 3.22Å; V243-V247 PolarHBondContact O-N 3.16Å; Q244-V247 PolarHBondContact O-N 2.79Å; V247-A251 WeakPolarHBondContact O-CA 3.42Å; V247-A251 PolarHBondContact O-N 2.86Å; V247-W252 HydrophobicContact CB-CB 4.33Å; V247-W252 HydrophobicContact CG1-CB 4.28Å; V247-W252 HydrophobicContact CG2-CB 4.1Å; V247-W252 HydrophobicContact CG2-CG 4.44Å; V247-W252 PolarHBondContact O-N 3.26Å; V247-C276 HydrophobicContact CG2-CB 4.31Å; V247-W279 HydrophobicContact CG2-CB 4.43Å; V247-W279 HydrophobicContact CG2-CG 4.32Å; V247-V280 HydrophobicContact CB-CG1 4.4Å; V247-V280 HydrophobicContact CG1-CG1 3.55Å; V247-V280 HydrophobicContact CG2-CG1 3.9Å
248	S	96.3	Very high	97.7	Very high	81 Å²	81	33.6 Å²	33.6	57%	0.566	19%	0.188	S	C	*	.	H	α-helix	trans	-66.3	-57.3	175.9	-176.1	0	0	0	0	111.5	Q244 C245 L246 W250 A251	Q244-S248 WeakPolarHBondContact O-CB 3.32Å; Q244-S248 PolarHBondContact O-N 2.92Å; C245-S248 PolarHBondContact O-N 3.47Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 3.38Å; S248-W250 PolarHBondContact O-N 3.45Å; S248-A251 PolarHBondContact O-N 3.44Å
249	E	96.1	Very high	97.8	Very high	76 Å²	76	33.6 Å²	33.6	36%	0.355	19%	0.187	S	C	.	.	H	α-helix	trans	-69.3	-31.1	-169.8	-71.6	-57.9	121.8	0	0	114.2	C245 L388 L401 P402	C245-E249 WeakPolarHBondContact O-CB 3.42Å; C245-E249 WeakPolarHBondContact O-CG 3.4Å; C245-E249 PolarHBondContact O-N 3.48Å; E249-L388 WeakPolarHBondContact O-CB 3.49Å; E249-L401 HydrophobicContact CB-CD2 3.88Å; E249-L401 HydrophobicContact CG-CD2 3.65Å; E249-P402 VanDerWaalsContact CD-CD 3.45Å; E249-P402 VanDerWaalsContact CD-CG 3.49Å; E249-P402 HydrophobicContact CG-CG 3.52Å; E249-P402 WeakPolarHBondContact OE1-CG 3.39Å
250	W	98	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.2	177.7	-60.9	-13.5	0	0	0	112.8	L246 S248 W252 N272 M311 R346 L347 V349 L372 R374 S385	L246-W250 HydrophobicContact CB-CE3 4.31Å; L246-W250 HydrophobicContact CD1-CH2 4.43Å; L246-W250 HydrophobicContact CD1-CZ3 4.12Å; L246-W250 HydrophobicContact CD2-CD2 4.11Å; L246-W250 HydrophobicContact CD2-CE3 4.07Å; L246-W250 HydrophobicContact CD2-CH2 3.76Å; L246-W250 HydrophobicContact CD2-CZ2 3.78Å; L246-W250 HydrophobicContact CD2-CZ3 3.9Å; L246-W250 HydrophobicContact CG-CZ3 4.44Å; L246-W250 WeakPolarHBondContact O-CB 3.46Å; L246-W250 PolarHBondContact O-N 3.02Å; S248-W250 PolarHBondContact O-N 3.45Å; W250-W252 VanDerWaalsContact C-N 3.27Å; W250-W252 AromaticContact CE3-NE1 3.97Å; W250-W252 PolarHBondContact O-N 3.34Å; W250-N272 HydrophobicContact CZ3-CB 4.22Å; W250-M311 HydrophobicContact CE3-CE 3.63Å; W250-M311 HydrophobicContact CE3-SD 4.2Å; W250-M311 HydrophobicContact CZ3-CE 3.82Å; W250-M311 HydrophobicContact CZ3-SD 3.74Å; W250-R346 PolarHBondContact O-NH1 3.07Å; W250-R346 PolarHBondContact O-NH2 2.95Å; W250-L347 HydrophobicContact CB-CD2 3.91Å; W250-L347 HydrophobicContact CG-CD2 4.32Å; W250-V349 HydrophobicContact CH2-CG1 3.91Å; W250-V349 HydrophobicContact CZ2-CG1 4.17Å; W250-V349 HydrophobicContact CZ3-CG1 4.44Å; W250-L372 HydrophobicContact CZ2-CD2 4.02Å; W250-R374 HydrophobicContact CH2-CG 3.99Å; W250-R374 HydrophobicContact CZ2-CB 4.05Å; W250-R374 HydrophobicContact CZ2-CG 3.88Å; W250-S385 PolarHBondContact NE1-OG 2.95Å; W250-S385 VanDerWaalsContact NE1-OG 3.08Å
251	A	98.1	Very high	97.5	Very high	52 Å²	52	32.9 Å²	32.9	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	49.7	177	0	0	0	0	0	112.2	V247 S248 R346 L388	V247-A251 WeakPolarHBondContact O-CA 3.42Å; V247-A251 PolarHBondContact O-N 2.86Å; S248-A251 PolarHBondContact O-N 3.44Å; A251-R346 PolarHBondContact O-NH2 3.15Å; A251-R346 VanDerWaalsContact O-NH2 3.14Å; A251-L388 HydrophobicContact CB-CD2 3.56Å
252	W	98.6	Very high	97.2	Very high	14 Å²	14	32.2 Å²	32.2	5%	0.053	18%	0.178	C	C	.	.			trans	-61.5	138.2	173.2	-80.1	98.8	0	0	0	110.3	V247 W250 D256 I258 N272 C276 P277 V280 V309 M311	V247-W252 HydrophobicContact CB-CB 4.33Å; V247-W252 HydrophobicContact CG1-CB 4.28Å; V247-W252 HydrophobicContact CG2-CB 4.1Å; V247-W252 HydrophobicContact CG2-CG 4.44Å; V247-W252 PolarHBondContact O-N 3.26Å; W250-W252 VanDerWaalsContact C-N 3.27Å; W250-W252 AromaticContact CE3-NE1 3.97Å; W250-W252 PolarHBondContact O-N 3.34Å; W252-D256 WeakPolarHBondContact CA-OD2 3.28Å; W252-D256 HydrophobicContact CE3-CB 3.77Å; W252-D256 HydrophobicContact CZ3-CB 3.79Å; W252-I258 HydrophobicContact CH2-CB 3.84Å; W252-I258 HydrophobicContact CH2-CD1 3.57Å; W252-I258 HydrophobicContact CH2-CG1 4.27Å; W252-I258 HydrophobicContact CH2-CG2 4Å; W252-I258 HydrophobicContact CZ2-CD1 4.06Å; W252-I258 HydrophobicContact CZ3-CB 4.26Å; W252-I258 HydrophobicContact CZ3-CG2 4.35Å; W252-N272 VanDerWaalsContact CZ2-O 3.28Å; W252-N272 WeakPolarHBondContact CZ2-O 3.28Å; W252-C276 HydrophobicContact CD2-CB 4.28Å; W252-C276 HydrophobicContact CG-CB 4.37Å; W252-C276 HydrophobicContact CZ2-CB 4.21Å; W252-P277 HydrophobicContact CE3-CB 4.32Å; W252-P277 HydrophobicContact CH2-CB 4.16Å; W252-P277 HydrophobicContact CH2-CG 4.22Å; W252-P277 HydrophobicContact CZ3-CB 3.79Å; W252-P277 HydrophobicContact CZ3-CG 4.34Å; W252-V280 HydrophobicContact CB-CG1 4.12Å; W252-V280 HydrophobicContact CB-CG2 4.13Å; W252-V309 HydrophobicContact CH2-CG1 3.95Å; W252-V309 HydrophobicContact CZ2-CG1 4.31Å; W252-V309 HydrophobicContact CZ3-CG1 4.44Å; W252-V309 HydrophobicContact CZ3-CG2 4.47Å; W252-M311 HydrophobicContact CH2-CE 4.18Å; W252-M311 HydrophobicContact CZ2-CE 3.31Å; W252-M311 HydrophobicContact CZ2-SD 4.26Å
253	S	98.4	Very high	96.7	Very high	42 Å²	42	32.6 Å²	32.6	29%	0.294	18%	0.182	S	C	.	.			trans	-140	162.8	179.9	75.1	0	0	0	0	110.7	D255 D256 V280 A282	S253-D255 PolarHBondContact O-N 3.11Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-D255 PolarHBondContact OG-N 2.84Å; S253-D256 PolarHBondContact N-OD2 2.62Å; S253-D256 WeakPolarHBondContact O-CB 3.48Å; S253-D256 PolarHBondContact O-N 3.28Å; S253-D256 VanDerWaalsContact O-N 3.08Å; S253-V280 WeakPolarHBondContact O-CG2 3.45Å; S253-A282 WeakPolarHBondContact O-CB 3.38Å
254	K	98.3	Very high	96.4	Very high	142 Å²	142	32.9 Å²	32.9	62%	0.617	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	174.9	66.6	177.1	-174.9	171.9	0	114	D256 V280	K254-D256 PolarHBondContact O-N 3.31Å; K254-V280 WeakPolarHBondContact CA-O 3.48Å; K254-V280 WeakPolarHBondContact CB-O 3.19Å
255	D	98.1	Very high	95.9	Very high	112 Å²	112	29.3 Å²	29.3	60%	0.599	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	0.6	-179.1	-54.5	-45.1	0	0	0	111.9	S253 N308	S253-D255 PolarHBondContact O-N 3.11Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-D255 PolarHBondContact OG-N 2.84Å; D255-N308 PolarHBondContact O-ND2 3.05Å
256	D	98.8	Very high	95.4	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	17%	0.168	C	C	.	.			trans	-78.4	141.9	176.5	-68.8	-41.1	0	0	0	112.7	W252 S253 K254 A282 T283 N308 V309 R346	W252-D256 WeakPolarHBondContact CA-OD2 3.28Å; W252-D256 HydrophobicContact CE3-CB 3.77Å; W252-D256 HydrophobicContact CZ3-CB 3.79Å; S253-D256 PolarHBondContact N-OD2 2.62Å; S253-D256 WeakPolarHBondContact O-CB 3.48Å; S253-D256 PolarHBondContact O-N 3.28Å; S253-D256 VanDerWaalsContact O-N 3.08Å; K254-D256 PolarHBondContact O-N 3.31Å; D256-A282 HydrophobicContact CB-CB 3.95Å; D256-A282 VanDerWaalsContact O-CB 3.27Å; D256-A282 WeakPolarHBondContact O-CB 3.4Å; D256-T283 PolarHBondContact O-N 3.15Å; D256-N308 WeakPolarHBondContact CA-OD1 3.3Å; D256-V309 HydrophobicContact CB-CG2 4.18Å; D256-R346 VanDerWaalsContact CG-NH2 3.34Å; D256-R346 IonicContact OD1-CZ 3.18Å; D256-R346 IonicContact OD1-NE 2.75Å; D256-R346 PolarHBondContact OD1-NE 3.07Å; D256-R346 IonicContact OD1-NH2 2.76Å; D256-R346 PolarHBondContact OD1-NH2 3.28Å; D256-R346 IonicContact OD2-CZ 2.93Å; D256-R346 IonicContact OD2-NE 2.84Å; D256-R346 IonicContact OD2-NH2 3.97Å; D256-R346 PolarHBondContact OD2-NH2 3.09Å
257	V	98.8	Very high	95.2	Very high	17 Å²	17	30.2 Å²	30.2	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	106.2	171.2	-177.7	0	0	0	0	106.9	T283 V285 P305 V306 V307 N308 V309	V257-T283 WeakPolarHBondContact CA-O 3.47Å; V257-T283 HydrophobicContact CG1-CG2 4.3Å; V257-V285 HydrophobicContact CG1-CG2 3.56Å; V257-P305 HydrophobicContact CG1-CB 3.88Å; V257-P305 HydrophobicContact CG1-CG 4.46Å; V257-P305 HydrophobicContact CG2-CB 4.31Å; V257-V306 VanDerWaalsContact CB-O 3.27Å; V257-V306 WeakPolarHBondContact CB-O 3.39Å; V257-V306 WeakPolarHBondContact CG2-O 3.31Å; V257-V307 HydrophobicContact CG1-CG2 4.32Å; V257-N308 PolarHBondContact N-OD1 3.27Å; V257-N308 PolarHBondContact O-N 2.86Å; V257-N308 PolarHBondContact O-OD1 2.92Å; V257-V309 PolarHBondContact O-N 3.22Å; V257-V309 VanDerWaalsContact O-N 3.16Å
258	I	98.8	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	179.1	-175.9	160.5	0	0	0	111.7	W252 K273 P277 T283 V285 V309 M311	W252-I258 HydrophobicContact CH2-CB 3.84Å; W252-I258 HydrophobicContact CH2-CD1 3.57Å; W252-I258 HydrophobicContact CH2-CG1 4.27Å; W252-I258 HydrophobicContact CH2-CG2 4Å; W252-I258 HydrophobicContact CZ2-CD1 4.06Å; W252-I258 HydrophobicContact CZ3-CB 4.26Å; W252-I258 HydrophobicContact CZ3-CG2 4.35Å; I258-K273 HydrophobicContact CD1-CB 3.99Å; I258-K273 HydrophobicContact CD1-CD 4.41Å; I258-K273 HydrophobicContact CD1-CG 3.79Å; I258-P277 HydrophobicContact CG2-CB 4.08Å; I258-P277 HydrophobicContact CG2-CG 3.86Å; I258-T283 PolarHBondContact N-O 2.77Å; I258-V285 PolarHBondContact O-N 2.83Å; I258-V309 WeakPolarHBondContact CA-O 3.43Å; I258-V309 HydrophobicContact CB-CB 4.16Å; I258-V309 HydrophobicContact CB-CG1 4.36Å; I258-V309 HydrophobicContact CD1-CG1 3.91Å; I258-V309 HydrophobicContact CG1-CB 4.38Å; I258-V309 HydrophobicContact CG1-CG1 4.18Å; I258-M311 HydrophobicContact CD1-CB 4.45Å; I258-M311 HydrophobicContact CD1-CE 4.42Å; I258-M311 HydrophobicContact CD1-CG 3.89Å; I258-M311 HydrophobicContact CD1-SD 4.19Å
259	L	98.7	Very high	95	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115.8	168	-179.4	64.7	0	0	0	111	T261 K273 V285 L287 V295 M298 V307 V309 F310	L259-T261 HydrophobicContact CG-CG2 4.34Å; L259-K273 WeakPolarHBondContact O-CE 3.38Å; L259-K273 PolarHBondContact O-NZ 3.18Å; L259-V285 CarbonylContact C-O 3.53Å; L259-V285 WeakPolarHBondContact CA-O 3.45Å; L259-V285 HydrophobicContact CD1-CB 4.37Å; L259-V285 HydrophobicContact CD1-CG1 4.01Å; L259-L287 HydrophobicContact CD1-CD1 4.02Å; L259-L287 HydrophobicContact CD1-CG 3.94Å; L259-V295 HydrophobicContact CD2-CB 4.33Å; L259-V295 HydrophobicContact CD2-CG1 3.96Å; L259-V295 HydrophobicContact CD2-CG2 4.24Å; L259-M298 HydrophobicContact CD1-CB 4.13Å; L259-M298 HydrophobicContact CD1-CG 4.18Å; L259-M298 HydrophobicContact CD2-CB 3.88Å; L259-V307 HydrophobicContact CB-CG1 3.78Å; L259-V307 HydrophobicContact CB-CG2 4Å; L259-V309 PolarHBondContact N-O 2.95Å; L259-F310 HydrophobicContact CB-CD2 4.12Å; L259-F310 HydrophobicContact CD2-CD2 4.21Å; L259-F310 HydrophobicContact CD2-CE2 4.21Å; L259-F310 HydrophobicContact CG-CD2 4.41Å
260	H	98.2	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.6	-176.9	-159.8	-25.4	0	0	0	112.9	L262 L264 G269 K273 V285 M286 L287	H260-L262 PolarHBondContact CE1-O 3.11Å; H260-L262 PolarHBondContact ND1-N 2.76Å; H260-L262 VanDerWaalsContact ND1-N 3.18Å; H260-L262 PolarHBondContact ND1-O 3Å; H260-L264 VanDerWaalsContact NE2-CD2 3.3Å; H260-L264 WeakPolarHBondContact NE2-CD2 3.49Å; H260-G269 PolarHBondContact NE2-O 3.06Å; H260-K273 VanDerWaalsContact CD2-CB 3.48Å; H260-K273 WeakPolarHBondContact CD2-CB 3.26Å; H260-K273 PolarHBondContact CD2-O 2.89Å; H260-K273 WeakPolarHBondContact NE2-CB 3.35Å; H260-V285 PolarHBondContact N-O 3.03Å; H260-M286 HydrophobicContact CB-CG 4.16Å; H260-M286 WeakPolarHBondContact O-CA 3.4Å; H260-L287 PolarHBondContact O-N 3.07Å
261	T	92.9	Very high	95	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.037	12%	0.12	C	C	.	.			trans	-122.5	1.8	178.7	51.7	0	0	0	0	112.7	L259 L287 V295	L259-T261 HydrophobicContact CG-CG2 4.34Å; T261-L287 HydrophobicContact CG2-CB 4.02Å; T261-L287 HydrophobicContact CG2-CD1 3.77Å; T261-L287 HydrophobicContact CG2-CG 4.24Å; T261-V295 HydrophobicContact CG2-CG2 3.77Å
262	L	89.8	Confident	95	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.099	C	C	.	.	S	Bend	trans	-89.6	149	-174.2	-67.4	-172.8	0	0	0	110.4	N120 H260 H268 K273 V313 I316	N120-L262 PolarHBondContact ND2-O 3.35Å; H260-L262 PolarHBondContact CE1-O 3.11Å; H260-L262 PolarHBondContact ND1-N 2.76Å; H260-L262 VanDerWaalsContact ND1-N 3.18Å; H260-L262 PolarHBondContact ND1-O 3Å; L262-H268 HydrophobicContact CD1-CB 4.3Å; L262-H268 VanDerWaalsContact CD1-CE1 3.45Å; L262-H268 WeakPolarHBondContact CD1-CE1 3.46Å; L262-H268 VanDerWaalsContact CD1-ND1 3.34Å; L262-H268 WeakPolarHBondContact CD1-ND1 3.23Å; L262-K273 HydrophobicContact CB-CD 4.17Å; L262-K273 HydrophobicContact CD1-CD 3.47Å; L262-K273 VanDerWaalsContact CD1-CD 3.47Å; L262-K273 HydrophobicContact CD1-CG 4.47Å; L262-K273 HydrophobicContact CG-CD 3.74Å; L262-V313 HydrophobicContact CD2-CG1 4.45Å; L262-I316 HydrophobicContact CD2-CD1 3.53Å
263	P	86.6	Confident	95	Very high	15 Å²	15	18.6 Å²	18.6	10%	0.097	10%	0.097	C	C	.	.			trans	-60.5	141.3	174.3	-22.4	32.9	0	0	0	112.8	Y142 H265 M575	Y142-P263 HydrophobicContact CD2-CB 4.46Å; Y142-P263 HydrophobicContact CE2-CB 3.9Å; Y142-P263 HydrophobicContact CE2-CG 4.5Å; P263-H265 VanDerWaalsContact C-N 3.32Å; P263-H265 WeakPolarHBondContact CB-CE1 3.36Å; P263-H265 WeakPolarHBondContact CB-ND1 3.35Å; P263-H265 PolarHBondContact O-N 3.42Å; P263-M575 HydrophobicContact CB-SD 4.48Å; P263-M575 HydrophobicContact CG-SD 3.87Å
264	L	92.6	Very high	95	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.026	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	30.8	180	-67	171.8	0	0	0	114.2	N120 Y124 H260 I270 L274	N120-L264 HydrophobicContact CB-CD1 4.38Å; N120-L264 WeakPolarHBondContact OD1-CG 3.36Å; Y124-L264 HydrophobicContact CD1-CB 4.5Å; Y124-L264 HydrophobicContact CD1-CD1 3.78Å; Y124-L264 HydrophobicContact CD2-CB 3.65Å; Y124-L264 HydrophobicContact CD2-CD1 3.63Å; Y124-L264 HydrophobicContact CD2-CG 4.26Å; Y124-L264 HydrophobicContact CE1-CB 4.2Å; Y124-L264 HydrophobicContact CE1-CD1 4.24Å; Y124-L264 HydrophobicContact CE1-CD2 4.39Å; Y124-L264 HydrophobicContact CE2-CB 3.29Å; Y124-L264 HydrophobicContact CE2-CD1 4.11Å; Y124-L264 HydrophobicContact CE2-CG 4.26Å; Y124-L264 VanDerWaalsContact CE2-O 3.23Å; Y124-L264 WeakPolarHBondContact CE2-O 3.26Å; Y124-L264 HydrophobicContact CG-CB 4.27Å; Y124-L264 HydrophobicContact CG-CD1 3.47Å; Y124-L264 VanDerWaalsContact CG-CD1 3.47Å; Y124-L264 HydrophobicContact CG-CG 4.43Å; Y124-L264 PolarHBondContact OH-O 2.87Å; H260-L264 VanDerWaalsContact NE2-CD2 3.3Å; H260-L264 WeakPolarHBondContact NE2-CD2 3.49Å; L264-I270 HydrophobicContact CD2-CG1 4.48Å; L264-I270 WeakPolarHBondContact O-CD1 3.23Å; L264-L274 HydrophobicContact CD2-CB 4.37Å; L264-L274 HydrophobicContact CD2-CD2 3.89Å
265	H	84.6	Confident	95	Very high	11 Å²	11	9.9 Å²	9.9	5%	0.051	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	13.6	168.9	65.9	-77.7	0	0	0	112	Y142 H145 V220 P263	Y142-H265 AromaticContact CD1-CE1 3.19Å; Y142-H265 WeakPolarHBondContact CD1-CE1 3.47Å; Y142-H265 AromaticContact CD1-ND1 3.63Å; Y142-H265 AromaticContact CD1-NE2 3.63Å; Y142-H265 AromaticContact CD2-CE1 3.54Å; Y142-H265 AromaticContact CD2-ND1 3.2Å; Y142-H265 WeakPolarHBondContact CD2-ND1 3.27Å; Y142-H265 AromaticContact CE1-CE1 3.36Å; Y142-H265 WeakPolarHBondContact CE1-CE1 3.19Å; Y142-H265 AromaticContact CE2-CE1 3.72Å; Y142-H265 AromaticContact CE2-ND1 3.71Å; Y142-H265 AromaticContact CG-CE1 3.28Å; Y142-H265 AromaticContact CG-CG 3.77Å; Y142-H265 AromaticContact CG-ND1 3.16Å; Y142-H265 AromaticContact CG-NE2 3.92Å; Y142-H265 AromaticContact CZ-CE1 3.63Å; H145-H265 AromaticContact NE2-CD2 3.98Å; H145-H265 AromaticContact NE2-NE2 3.91Å; V220-H265 VanDerWaalsContact CG1-O 3.27Å; V220-H265 WeakPolarHBondContact CG1-O 3.3Å; P263-H265 VanDerWaalsContact C-N 3.32Å; P263-H265 WeakPolarHBondContact CB-CE1 3.36Å; P263-H265 WeakPolarHBondContact CB-ND1 3.35Å; P263-H265 PolarHBondContact O-N 3.42Å
266	H	86.6	Confident	95.1	Very high	27 Å²	27	4.5 Å²	4.5	13%	0.125	3%	0.025	C	C	.	.	S	Bend	trans	-133.2	142	179.3	-74.2	-61.8	0	0	0	110.8	H268 G269 I270 M575	H266-H268 PolarHBondContact O-N 2.75Å; H266-G269 PolarHBondContact O-N 2.82Å; H266-I270 WeakPolarHBondContact O-CG1 3.46Å; H266-I270 PolarHBondContact O-N 3.21Å; H266-M575 HydrophobicContact CB-SD 4.4Å; H266-M575 WeakPolarHBondContact CD2-CG 3.41Å; H266-M575 PolarHBondContact CD2-SD 3.48Å; H266-M575 WeakPolarHBondContact NE2-CG 3.46Å
267	V	93.4	Very high	95.1	Very high	8 Å²	8	4.4 Å²	4.4	5%	0.048	2%	0.024	C	C	.	.	H	α-helix	trans	-57.3	-25.9	-178	-62.8	0	0	0	0	113.8	V220 V271 T378 M382	V220-V267 HydrophobicContact CG2-CG1 4.44Å; V267-V271 HydrophobicContact CB-CG2 4.22Å; V267-V271 WeakPolarHBondContact O-CA 3.36Å; V267-V271 VanDerWaalsContact O-CB 3.23Å; V267-V271 WeakPolarHBondContact O-CB 3.45Å; V267-V271 PolarHBondContact O-N 3.13Å; V267-T378 HydrophobicContact CG1-CG2 4.11Å; V267-M382 HydrophobicContact CG2-CE 4.16Å
268	H	93.9	Very high	95	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	2%	0.02	C	C	.	.	I	π-helix	trans	-65.4	-44.9	173.8	-172.7	-174.3	0	0	0	112	L262 H266 N272 K273 A312 S352 R374	L262-H268 HydrophobicContact CD1-CB 4.3Å; L262-H268 VanDerWaalsContact CD1-CE1 3.45Å; L262-H268 WeakPolarHBondContact CD1-CE1 3.46Å; L262-H268 VanDerWaalsContact CD1-ND1 3.34Å; L262-H268 WeakPolarHBondContact CD1-ND1 3.23Å; H266-H268 PolarHBondContact O-N 2.75Å; H268-N272 WeakPolarHBondContact O-CB 3.4Å; H268-N272 PolarHBondContact O-N 3.37Å; H268-K273 PolarHBondContact O-N 2.81Å; H268-A312 PolarHBondContact CE1-O 2.87Å; H268-S352 PolarHBondContact ND1-OG 2.86Å; H268-R374 PolarHBondContact CD2-NH2 2.86Å; H268-R374 VanDerWaalsContact CD2-NH2 3.34Å; H268-R374 PolarHBondContact CE1-NH2 2.84Å; H268-R374 PolarHBondContact ND1-NH2 3.5Å; H268-R374 PolarHBondContact NE2-NH2 2.99Å; H268-R374 VanDerWaalsContact NE2-NH2 3.15Å
269	G	94.9	Very high	95	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-72.8	-42.1	175.9	0	0	0	0	0	111.9	H260 H266 L274	H260-G269 PolarHBondContact NE2-O 3.06Å; H266-G269 PolarHBondContact O-N 2.82Å; G269-L274 PolarHBondContact O-N 3.43Å
270	I	97.9	Very high	95	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-74.6	-54.9	-175.3	-58	169.6	0	0	0	111	Y124 P140 M218 V220 L264 H266 L274 L275	Y124-I270 WeakPolarHBondContact OH-CD1 3.06Å; Y124-I270 WeakPolarHBondContact OH-CG1 3.45Å; P140-I270 HydrophobicContact CG-CD1 4Å; M218-I270 HydrophobicContact CE-CD1 4.38Å; M218-I270 HydrophobicContact CE-CG2 3.96Å; M218-I270 HydrophobicContact SD-CD1 3.92Å; M218-I270 HydrophobicContact SD-CG2 4.01Å; V220-I270 HydrophobicContact CG2-CD1 4.35Å; L264-I270 HydrophobicContact CD2-CG1 4.48Å; L264-I270 WeakPolarHBondContact O-CD1 3.23Å; H266-I270 WeakPolarHBondContact O-CG1 3.46Å; H266-I270 PolarHBondContact O-N 3.21Å; I270-L274 VanDerWaalsContact O-CB 3.27Å; I270-L274 WeakPolarHBondContact O-CB 3.38Å; I270-L274 PolarHBondContact O-N 2.87Å; I270-L275 HydrophobicContact CG2-CD1 4.16Å; I270-L275 HydrophobicContact CG2-CG 4.33Å; I270-L275 WeakPolarHBondContact O-CG 3.4Å; I270-L275 PolarHBondContact O-N 3.41Å
271	V	98.1	Very high	95	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.032	C	C	.	.	I	π-helix	trans	-80.1	-59.9	-173.1	-178.1	0	0	0	0	110.9	M242 V243 L246 V267 K273 L275 C276	M242-V271 HydrophobicContact CB-CG1 3.88Å; M242-V271 HydrophobicContact CE-CG2 4.31Å; M242-V271 HydrophobicContact SD-CG2 4.28Å; V243-V271 HydrophobicContact CG2-CG1 4.03Å; L246-V271 HydrophobicContact CD1-CG1 4.34Å; V267-V271 HydrophobicContact CB-CG2 4.22Å; V267-V271 WeakPolarHBondContact O-CA 3.36Å; V267-V271 VanDerWaalsContact O-CB 3.23Å; V267-V271 WeakPolarHBondContact O-CB 3.45Å; V267-V271 PolarHBondContact O-N 3.13Å; V271-K273 PolarHBondContact O-N 2.95Å; V271-L275 HydrophobicContact CG2-CD1 4.45Å; V271-L275 PolarHBondContact O-N 2.67Å; V271-C276 PolarHBondContact O-N 2.74Å; V271-C276 PolarHBondContact O-SG 3.35Å
272	N	97.6	Very high	95.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	I	π-helix	trans	-69.8	-38.2	-169	-54.2	21.6	0	0	0	112.4	L246 W250 W252 H268 M311	L246-N272 HydrophobicContact CD1-CB 4.31Å; L246-N272 WeakPolarHBondContact CD1-OD1 3.24Å; W250-N272 HydrophobicContact CZ3-CB 4.22Å; W252-N272 VanDerWaalsContact CZ2-O 3.28Å; W252-N272 WeakPolarHBondContact CZ2-O 3.28Å; H268-N272 WeakPolarHBondContact O-CB 3.4Å; H268-N272 PolarHBondContact O-N 3.37Å; N272-M311 HydrophobicContact CB-SD 4.08Å
273	K	97.9	Very high	95.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-103.9	-9	-171	-58.6	-170	70	174.4	0	114.9	I258 L259 H260 L262 H268 V271 P277 M311	I258-K273 HydrophobicContact CD1-CB 3.99Å; I258-K273 HydrophobicContact CD1-CD 4.41Å; I258-K273 HydrophobicContact CD1-CG 3.79Å; L259-K273 WeakPolarHBondContact O-CE 3.38Å; L259-K273 PolarHBondContact O-NZ 3.18Å; H260-K273 VanDerWaalsContact CD2-CB 3.48Å; H260-K273 WeakPolarHBondContact CD2-CB 3.26Å; H260-K273 PolarHBondContact CD2-O 2.89Å; H260-K273 WeakPolarHBondContact NE2-CB 3.35Å; L262-K273 HydrophobicContact CB-CD 4.17Å; L262-K273 HydrophobicContact CD1-CD 3.47Å; L262-K273 VanDerWaalsContact CD1-CD 3.47Å; L262-K273 HydrophobicContact CD1-CG 4.47Å; L262-K273 HydrophobicContact CG-CD 3.74Å; H268-K273 PolarHBondContact O-N 2.81Å; V271-K273 PolarHBondContact O-N 2.95Å; K273-P277 WeakPolarHBondContact O-CG 3.18Å; K273-M311 HydrophobicContact CD-CB 3.98Å; K273-M311 WeakPolarHBondContact CD-O 3.38Å; K273-M311 VanDerWaalsContact CE-O 3.27Å; K273-M311 WeakPolarHBondContact CE-O 3.37Å; K273-M311 HydrophobicContact CG-CB 4.03Å; K273-M311 HydrophobicContact CG-SD 4.44Å; K273-M311 PolarHBondContact NZ-O 3.19Å
274	L	98.7	Very high	96.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	I	π-helix	trans	-125.2	-56.6	179.3	179.4	64.3	0	0	0	111.9	Y124 V125 L264 G269 I270 P277 L278 M286	Y124-L274 HydrophobicContact CD1-CD2 3.66Å; Y124-L274 HydrophobicContact CE1-CD2 3.66Å; V125-L274 HydrophobicContact CG2-CD1 3.87Å; V125-L274 HydrophobicContact CG2-CD2 4.35Å; L264-L274 HydrophobicContact CD2-CB 4.37Å; L264-L274 HydrophobicContact CD2-CD2 3.89Å; G269-L274 PolarHBondContact O-N 3.43Å; I270-L274 VanDerWaalsContact O-CB 3.27Å; I270-L274 WeakPolarHBondContact O-CB 3.38Å; I270-L274 PolarHBondContact O-N 2.87Å; L274-P277 WeakPolarHBondContact O-CD 2.99Å; L274-P277 VanDerWaalsContact O-CG 3.28Å; L274-P277 WeakPolarHBondContact O-CG 3.2Å; L274-L278 HydrophobicContact CD1-CD1 3.52Å; L274-L278 HydrophobicContact CD1-CG 4.21Å; L274-L278 HydrophobicContact CG-CD1 3.89Å; L274-L278 VanDerWaalsContact O-CB 3.3Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 WeakPolarHBondContact O-CD1 3.13Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 3.45Å; L274-L278 VanDerWaalsContact O-N 3.16Å; L274-M286 HydrophobicContact CD1-CE 3.39Å
275	L	98.8	Very high	96.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	I	π-helix	trans	-71.7	-37.8	-177.1	-62.8	-177.6	0	0	0	113.6	V62 W132 I239 V243 I270 V271 L278 W279	V62-L275 HydrophobicContact CB-CD2 4.28Å; V62-L275 HydrophobicContact CG2-CB 4.22Å; V62-L275 HydrophobicContact CG2-CD2 3.89Å; V62-L275 HydrophobicContact CG2-CG 4.44Å; W132-L275 HydrophobicContact CH2-CD1 4.09Å; W132-L275 HydrophobicContact CH2-CD2 3.91Å; W132-L275 HydrophobicContact CZ3-CD2 4.2Å; I239-L275 HydrophobicContact CG2-CD1 3.58Å; V243-L275 HydrophobicContact CG2-CB 3.69Å; V243-L275 HydrophobicContact CG2-CD1 4.43Å; I270-L275 HydrophobicContact CG2-CD1 4.16Å; I270-L275 HydrophobicContact CG2-CG 4.33Å; I270-L275 WeakPolarHBondContact O-CG 3.4Å; I270-L275 PolarHBondContact O-N 3.41Å; V271-L275 HydrophobicContact CG2-CD1 4.45Å; V271-L275 PolarHBondContact O-N 2.67Å; L275-L278 PolarHBondContact O-N 2.61Å; L275-W279 VanDerWaalsContact O-CB 3.26Å; L275-W279 WeakPolarHBondContact O-CB 3.3Å; L275-W279 PolarHBondContact O-N 2.79Å
276	C	98.7	Very high	97.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.2	-52.3	176.3	-65.1	0	0	0	0	113.4	V247 W252 V271 W279	V247-C276 HydrophobicContact CG2-CB 4.31Å; W252-C276 HydrophobicContact CD2-CB 4.28Å; W252-C276 HydrophobicContact CG-CB 4.37Å; W252-C276 HydrophobicContact CZ2-CB 4.21Å; V271-C276 PolarHBondContact O-N 2.74Å; V271-C276 PolarHBondContact O-SG 3.35Å; C276-W279 WeakPolarHBondContact O-CB 3.37Å; C276-W279 PolarHBondContact O-N 3.27Å
277	P	98.6	Very high	97.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.2	-42.4	175.5	22.6	-33.7	0	0	0	112.4	Y84 W252 I258 K273 L274 W279 V280 G281 A282 C284	Y84-P277 PolarHBondContact OH-O 3.1Å; W252-P277 HydrophobicContact CE3-CB 4.32Å; W252-P277 HydrophobicContact CH2-CB 4.16Å; W252-P277 HydrophobicContact CH2-CG 4.22Å; W252-P277 HydrophobicContact CZ3-CB 3.79Å; W252-P277 HydrophobicContact CZ3-CG 4.34Å; I258-P277 HydrophobicContact CG2-CB 4.08Å; I258-P277 HydrophobicContact CG2-CG 3.86Å; K273-P277 WeakPolarHBondContact O-CG 3.18Å; L274-P277 WeakPolarHBondContact O-CD 2.99Å; L274-P277 VanDerWaalsContact O-CG 3.28Å; L274-P277 WeakPolarHBondContact O-CG 3.2Å; P277-W279 PolarHBondContact O-N 3.33Å; P277-V280 WeakPolarHBondContact O-CG2 3.39Å; P277-V280 PolarHBondContact O-N 3.26Å; P277-V280 VanDerWaalsContact O-N 3.13Å; P277-G281 PolarHBondContact O-N 2.69Å; P277-A282 HydrophobicContact CB-CB 3.68Å; P277-A282 WeakPolarHBondContact O-CB 3.3Å; P277-A282 PolarHBondContact O-N 2.93Å; P277-C284 WeakPolarHBondContact CG-SG 3.37Å
278	L	98.7	Very high	97.6	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-63.6	-25.1	178	-68.1	176.3	0	0	0	113.4	V62 A74 Y84 V125 W129 L274 L275	V62-L278 HydrophobicContact CG1-CB 3.78Å; A74-L278 HydrophobicContact CB-CD2 4.13Å; Y84-L278 HydrophobicContact CE1-CB 4.42Å; Y84-L278 HydrophobicContact CE1-CD2 3.68Å; Y84-L278 WeakPolarHBondContact OH-CA 3.46Å; V125-L278 HydrophobicContact CG1-CD1 4.05Å; V125-L278 HydrophobicContact CG2-CD1 4.36Å; W129-L278 HydrophobicContact CZ2-CD1 3.91Å; W129-L278 HydrophobicContact CZ2-CD2 4.48Å; L274-L278 HydrophobicContact CD1-CD1 3.52Å; L274-L278 HydrophobicContact CD1-CG 4.21Å; L274-L278 HydrophobicContact CG-CD1 3.89Å; L274-L278 VanDerWaalsContact O-CB 3.3Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 WeakPolarHBondContact O-CD1 3.13Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 3.45Å; L274-L278 VanDerWaalsContact O-N 3.16Å; L275-L278 PolarHBondContact O-N 2.61Å
279	W	98.4	Very high	97.3	Very high	16 Å²	16	11 Å²	11	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-70.8	-30.2	176.2	-178.1	-91.6	0	0	0	113.6	V62 R65 Q240 V243 Q244 V247 L275 C276 P277	V62-W279 HydrophobicContact CB-CE3 4.45Å; V62-W279 HydrophobicContact CG1-CB 4.46Å; V62-W279 HydrophobicContact CG1-CE3 4.49Å; V62-W279 HydrophobicContact CG2-CE3 3.96Å; V62-W279 HydrophobicContact CG2-CZ3 4.45Å; R65-W279 WeakPolarHBondContact CD-O 3.39Å; R65-W279 PolarHBondContact NH1-O 3.1Å; Q240-W279 HydrophobicContact CG-CH2 3.71Å; Q240-W279 HydrophobicContact CG-CZ2 4.4Å; Q240-W279 HydrophobicContact CG-CZ3 4.22Å; V243-W279 HydrophobicContact CG1-CB 3.54Å; V243-W279 HydrophobicContact CG1-CD2 3.63Å; V243-W279 HydrophobicContact CG1-CE3 3.93Å; V243-W279 HydrophobicContact CG1-CG 3.48Å; V243-W279 VanDerWaalsContact CG1-CG 3.48Å; Q244-W279 HydrophobicContact CG-CH2 4.34Å; Q244-W279 HydrophobicContact CG-CZ2 3.67Å; V247-W279 HydrophobicContact CG2-CB 4.43Å; V247-W279 HydrophobicContact CG2-CG 4.32Å; L275-W279 VanDerWaalsContact O-CB 3.26Å; L275-W279 WeakPolarHBondContact O-CB 3.3Å; L275-W279 PolarHBondContact O-N 2.79Å; C276-W279 WeakPolarHBondContact O-CB 3.37Å; C276-W279 PolarHBondContact O-N 3.27Å; P277-W279 PolarHBondContact O-N 3.33Å
280	V	98.5	Very high	97.1	Very high	22 Å²	22	13.2 Å²	13.2	13%	0.133	7%	0.071	C	C	.	.	H	α-helix	trans	-106.2	-3	-174.2	-60.7	0	0	0	0	113.7	F69 V247 W252 S253 K254 P277 A282	F69-V280 VanDerWaalsContact CZ-C 3.41Å; V247-V280 HydrophobicContact CB-CG1 4.4Å; V247-V280 HydrophobicContact CG1-CG1 3.55Å; V247-V280 HydrophobicContact CG2-CG1 3.9Å; W252-V280 HydrophobicContact CB-CG1 4.12Å; W252-V280 HydrophobicContact CB-CG2 4.13Å; S253-V280 WeakPolarHBondContact O-CG2 3.45Å; K254-V280 WeakPolarHBondContact CA-O 3.48Å; K254-V280 WeakPolarHBondContact CB-O 3.19Å; P277-V280 WeakPolarHBondContact O-CG2 3.39Å; P277-V280 PolarHBondContact O-N 3.26Å; P277-V280 VanDerWaalsContact O-N 3.13Å; V280-A282 HydrophobicContact CG2-CB 3.81Å
281	G	98.6	Very high	96.9	Very high	7 Å²	7	17.7 Å²	17.7	7%	0.072	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	18.4	-178.1	0	0	0	0	0	113.7	Y84 P277	Y84-G281 WeakPolarHBondContact OH-CA 3.28Å; P277-G281 PolarHBondContact O-N 2.69Å
282	A	98.8	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.			trans	-80.7	171.7	179.2	0	0	0	0	0	112.6	Y84 S253 D256 P277 V280	Y84-A282 PolarHBondContact OH-N 2.69Å; Y84-A282 VanDerWaalsContact OH-N 3.17Å; Y84-A282 PolarHBondContact OH-O 2.87Å; S253-A282 WeakPolarHBondContact O-CB 3.38Å; D256-A282 HydrophobicContact CB-CB 3.95Å; D256-A282 VanDerWaalsContact O-CB 3.27Å; D256-A282 WeakPolarHBondContact O-CB 3.4Å; P277-A282 HydrophobicContact CB-CB 3.68Å; P277-A282 WeakPolarHBondContact O-CB 3.3Å; P277-A282 PolarHBondContact O-N 2.93Å; V280-A282 HydrophobicContact CG2-CB 3.81Å
283	T	98.9	Very high	96.8	Very high	17 Å²	17	23.8 Å²	23.8	10%	0.104	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.2	179.7	-58.6	0	0	0	0	112.2	L73 D256 V257 I258 V285 P305	L73-T283 HydrophobicContact CD2-CG2 3.78Å; L73-T283 HydrophobicContact CG-CG2 3.8Å; L73-T283 PolarHBondContact O-OG1 3.45Å; L73-T283 VanDerWaalsContact O-OG1 3.1Å; D256-T283 PolarHBondContact O-N 3.15Å; V257-T283 WeakPolarHBondContact CA-O 3.47Å; V257-T283 HydrophobicContact CG1-CG2 4.3Å; I258-T283 PolarHBondContact N-O 2.77Å; T283-V285 HydrophobicContact CG2-CG2 4.28Å; T283-P305 HydrophobicContact CG2-CB 4.25Å; T283-P305 HydrophobicContact CG2-CG 4.36Å
284	C	98.8	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.9	168.8	-69.2	0	0	0	0	110.6	A74 V75 A76 P277 M286	A74-C284 PolarHBondContact O-N 2.83Å; V75-C284 CarbonylContact C-O 3.19Å; V75-C284 VanDerWaalsContact CA-O 3.29Å; V75-C284 WeakPolarHBondContact CA-O 3.37Å; V75-C284 HydrophobicContact CG2-CB 4.29Å; A76-C284 PolarHBondContact N-O 2.92Å; P277-C284 WeakPolarHBondContact CG-SG 3.37Å; C284-M286 HydrophobicContact CB-CE 4Å; C284-M286 HydrophobicContact CB-CG 4.48Å
285	V	98.7	Very high	96.8	Very high	7 Å²	7	28 Å²	28	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.7	169.8	179.2	0	0	0	0	108.5	A76 V257 I258 L259 H260 T283 M298 P305	A76-V285 HydrophobicContact CB-CG2 4.41Å; A76-V285 CarbonylContact O-C 3.29Å; A76-V285 WeakPolarHBondContact O-CA 3.46Å; V257-V285 HydrophobicContact CG1-CG2 3.56Å; I258-V285 PolarHBondContact O-N 2.83Å; L259-V285 CarbonylContact C-O 3.53Å; L259-V285 WeakPolarHBondContact CA-O 3.45Å; L259-V285 HydrophobicContact CD1-CB 4.37Å; L259-V285 HydrophobicContact CD1-CG1 4.01Å; H260-V285 PolarHBondContact N-O 3.03Å; T283-V285 HydrophobicContact CG2-CG2 4.28Å; V285-M298 HydrophobicContact CG1-CE 3.53Å; V285-P305 HydrophobicContact CG2-CB 4.32Å; V285-P305 HydrophobicContact CG2-CG 3.57Å
286	M	98.3	Very high	96.8	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.7	-174.8	-56.5	-160.6	-172.3	0	0	112.2	V75 A76 D77 N120 V125 H260 L274 C284	V75-M286 HydrophobicContact CG1-CE 4.01Å; V75-M286 HydrophobicContact CG1-CG 4.1Å; V75-M286 HydrophobicContact CG1-SD 4.24Å; V75-M286 HydrophobicContact CG2-CE 3.93Å; A76-M286 PolarHBondContact O-N 2.78Å; D77-M286 HydrophobicContact CB-CB 4.28Å; N120-M286 WeakPolarHBondContact O-CB 3.29Å; V125-M286 HydrophobicContact CG2-CE 4.25Å; H260-M286 HydrophobicContact CB-CG 4.16Å; H260-M286 WeakPolarHBondContact O-CA 3.4Å; L274-M286 HydrophobicContact CD1-CE 3.39Å; C284-M286 HydrophobicContact CB-CE 4Å; C284-M286 HydrophobicContact CB-CG 4.48Å
287	L	96.4	Very high	96.7	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.131	16%	0.16	C	C	.	.			trans	-100.8	138	163.7	-64.3	-179.3	0	0	0	109.1	L259 H260 T261 E289 K294 V295	L259-L287 HydrophobicContact CD1-CD1 4.02Å; L259-L287 HydrophobicContact CD1-CG 3.94Å; H260-L287 PolarHBondContact O-N 3.07Å; T261-L287 HydrophobicContact CG2-CB 4.02Å; T261-L287 HydrophobicContact CG2-CD1 3.77Å; T261-L287 HydrophobicContact CG2-CG 4.24Å; L287-E289 PolarHBondContact O-N 2.82Å; L287-K294 HydrophobicContact CD1-CB 4.04Å; L287-V295 HydrophobicContact CD1-CG2 4.08Å
288	P	90.1	Very high	96.7	Very high	59 Å²	59	34.3 Å²	34.3	38%	0.383	17%	0.172	S	C	.	.	S	Bend	trans	-63.6	-30.8	-179	22.8	-31.6	0	0	0	112.3
289	E	86.9	Confident	96.6	Very high	74 Å²	74	34.2 Å²	34.2	35%	0.346	17%	0.172	S	C	.	.	S	Bend	trans	-144.7	157.8	174.1	-66.3	-159	-158.5	0	0	111.2	R143 K144 L287 Q291	R143-E289 IonicContact CZ-OE1 2.79Å; R143-E289 VanDerWaalsContact CZ-OE1 3.27Å; R143-E289 IonicContact NH1-OE1 3.96Å; R143-E289 PolarHBondContact NH1-OE1 2.77Å; R143-E289 IonicContact NH2-OE1 2.77Å; R143-E289 PolarHBondContact NH2-OE1 2.94Å; K144-E289 IonicContact NZ-OE1 3.94Å; K144-E289 IonicContact NZ-OE2 3.87Å; K144-E289 PolarHBondContact NZ-OE2 3.44Å; L287-E289 PolarHBondContact O-N 2.82Å; E289-Q291 PolarHBondContact O-N 2.92Å
290	F	91.3	Very high	96.6	Very high	45 Å²	45	34.6 Å²	34.6	20%	0.197	17%	0.174	C	C	.	.			trans	-68.5	120.1	168.1	170.6	-106.5	0	0	0	110.7	P292 V295 I316 K319 L320	F290-P292 HydrophobicContact CE1-CG 3.75Å; F290-P292 HydrophobicContact CZ-CB 4.26Å; F290-P292 HydrophobicContact CZ-CG 3.68Å; F290-V295 HydrophobicContact CD2-CG2 3.89Å; F290-V295 HydrophobicContact CE2-CG2 3.92Å; F290-I316 HydrophobicContact CB-CD1 4.46Å; F290-I316 HydrophobicContact CD1-CG1 4.22Å; F290-I316 HydrophobicContact CD2-CD1 4.15Å; F290-I316 HydrophobicContact CD2-CG1 4.08Å; F290-I316 HydrophobicContact CD2-CG2 3.88Å; F290-I316 HydrophobicContact CE1-CG1 4.34Å; F290-I316 HydrophobicContact CE2-CB 4.25Å; F290-I316 HydrophobicContact CE2-CG1 4.24Å; F290-I316 HydrophobicContact CE2-CG2 3.44Å; F290-I316 VanDerWaalsContact CE2-CG2 3.44Å; F290-I316 HydrophobicContact CG-CD1 4.2Å; F290-I316 HydrophobicContact CG-CG1 4.07Å; F290-I316 HydrophobicContact CZ-CB 4.33Å; F290-I316 HydrophobicContact CZ-CG1 4.34Å; F290-I316 HydrophobicContact CZ-CG2 3.88Å; F290-K319 HydrophobicContact CD1-CD 4.49Å; F290-K319 HydrophobicContact CE1-CB 3.8Å; F290-K319 HydrophobicContact CE1-CD 3.74Å; F290-K319 HydrophobicContact CE1-CG 4.39Å; F290-K319 HydrophobicContact CZ-CB 3.9Å; F290-L320 HydrophobicContact CE2-CD1 4.42Å; F290-L320 HydrophobicContact CE2-CD2 4.03Å; F290-L320 HydrophobicContact CE2-CG 4.07Å; F290-L320 HydrophobicContact CZ-CD2 4.23Å; F290-L320 HydrophobicContact CZ-CG 4.1Å
291	Q	95.3	Very high	96.4	Very high	95 Å²	95	35 Å²	35	44%	0.444	18%	0.178	S	C	.	.			trans	-132.3	118.5	170.5	-62.9	178.4	33.3	0	0	108.5	E289 Q293 K294 V295	E289-Q291 PolarHBondContact O-N 2.92Å; Q291-Q293 VanDerWaalsContact C-N 3.3Å; Q291-Q293 PolarHBondContact O-N 3.44Å; Q291-K294 HydrophobicContact CB-CB 4.1Å; Q291-K294 HydrophobicContact CB-CG 4.15Å; Q291-K294 PolarHBondContact O-N 2.75Å; Q291-K294 VanDerWaalsContact O-N 3.13Å; Q291-V295 WeakPolarHBondContact O-CG2 3.39Å; Q291-V295 PolarHBondContact O-N 2.84Å
292	P	94.9	Very high	96.2	Very high	34 Å²	34	40.8 Å²	40.8	22%	0.221	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-44.5	-174.6	-27.1	32.3	0	0	0	113.7	F290 V295 W296 K319 L320 Y323	F290-P292 HydrophobicContact CE1-CG 3.75Å; F290-P292 HydrophobicContact CZ-CB 4.26Å; F290-P292 HydrophobicContact CZ-CG 3.68Å; P292-V295 PolarHBondContact O-N 2.76Å; P292-W296 PolarHBondContact O-N 3.21Å; P292-K319 HydrophobicContact CG-CB 4.33Å; P292-L320 HydrophobicContact CB-CD2 4.17Å; P292-Y323 HydrophobicContact CB-CD2 3.78Å; P292-Y323 HydrophobicContact CB-CG 3.76Å
293	Q	97.9	Very high	95.9	Very high	95 Å²	95	49 Å²	49	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-55.8	-54.5	176	176.4	174.4	-1.8	0	0	111.8	Q291 V295 W296 E297 Y323	Q291-Q293 VanDerWaalsContact C-N 3.3Å; Q291-Q293 PolarHBondContact O-N 3.44Å; Q293-V295 VanDerWaalsContact C-N 3.28Å; Q293-V295 PolarHBondContact O-N 2.75Å; Q293-W296 PolarHBondContact O-N 2.91Å; Q293-E297 HydrophobicContact CG-CG 4.42Å; Q293-E297 VanDerWaalsContact CG-OE1 3.24Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.29Å; Q293-E297 PolarHBondContact NE2-OE1 2.87Å; Q293-E297 WeakPolarHBondContact O-CG 3.5Å; Q293-E297 PolarHBondContact O-N 3.15Å; Q293-Y323 HydrophobicContact CB-CE1 4.43Å; Q293-Y323 HydrophobicContact CB-CE2 3.69Å; Q293-Y323 WeakPolarHBondContact CB-OH 3.47Å; Q293-Y323 VanDerWaalsContact CG-OH 3.3Å; Q293-Y323 WeakPolarHBondContact CG-OH 3.4Å
294	K	97.9	Very high	95.6	Very high	87 Å²	87	52.5 Å²	52.5	38%	0.378	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-35.9	-177.8	-69	-73.5	162.5	-156.1	0	112	L287 Q291 E297 M298	L287-K294 HydrophobicContact CD1-CB 4.04Å; Q291-K294 HydrophobicContact CB-CB 4.1Å; Q291-K294 HydrophobicContact CB-CG 4.15Å; Q291-K294 PolarHBondContact O-N 2.75Å; Q291-K294 VanDerWaalsContact O-N 3.13Å; K294-E297 WeakPolarHBondContact CD-OE2 3.49Å; K294-E297 WeakPolarHBondContact CE-OE2 3.48Å; K294-E297 IonicContact NZ-OE1 3.81Å; K294-E297 IonicContact NZ-OE2 3.63Å; K294-E297 PolarHBondContact NZ-OE2 2.87Å; K294-E297 PolarHBondContact O-N 2.93Å; K294-M298 VanDerWaalsContact O-CG 3.27Å; K294-M298 WeakPolarHBondContact O-CG 3.3Å; K294-M298 PolarHBondContact O-N 2.68Å
295	V	98.4	Very high	95.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-46.5	175.6	171.7	0	0	0	0	111.1	L259 T261 L287 F290 Q291 P292 Q293 M298 L299 F310 L320	L259-V295 HydrophobicContact CD2-CB 4.33Å; L259-V295 HydrophobicContact CD2-CG1 3.96Å; L259-V295 HydrophobicContact CD2-CG2 4.24Å; T261-V295 HydrophobicContact CG2-CG2 3.77Å; L287-V295 HydrophobicContact CD1-CG2 4.08Å; F290-V295 HydrophobicContact CD2-CG2 3.89Å; F290-V295 HydrophobicContact CE2-CG2 3.92Å; Q291-V295 WeakPolarHBondContact O-CG2 3.39Å; Q291-V295 PolarHBondContact O-N 2.84Å; P292-V295 PolarHBondContact O-N 2.76Å; Q293-V295 VanDerWaalsContact C-N 3.28Å; Q293-V295 PolarHBondContact O-N 2.75Å; V295-M298 PolarHBondContact O-N 3.17Å; V295-L299 HydrophobicContact CG1-CD1 3.82Å; V295-L299 HydrophobicContact CG1-CG 4.25Å; V295-L299 WeakPolarHBondContact O-CB 3.45Å; V295-L299 VanDerWaalsContact O-CG 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.45Å; V295-F310 HydrophobicContact CG1-CE2 4.1Å; V295-F310 HydrophobicContact CG1-CZ 3.94Å; V295-L320 HydrophobicContact CB-CD2 3.76Å; V295-L320 HydrophobicContact CG1-CD1 3.91Å; V295-L320 HydrophobicContact CG1-CD2 3.6Å; V295-L320 HydrophobicContact CG1-CG 4.41Å
296	W	98.4	Very high	95.3	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-41.7	174.7	-80.7	117.7	0	0	0	112.3	P292 Q293 M298 L299 L300 L320 Y323 Y324 F328 V337 W363 I366 T367	P292-W296 PolarHBondContact O-N 3.21Å; Q293-W296 PolarHBondContact O-N 2.91Å; W296-M298 VanDerWaalsContact C-N 3.3Å; W296-M298 PolarHBondContact O-N 2.89Å; W296-L299 HydrophobicContact CE3-CD1 4.38Å; W296-L299 PolarHBondContact O-N 2.81Å; W296-L300 HydrophobicContact CE3-CD1 4.17Å; W296-L300 HydrophobicContact CE3-CG 4.28Å; W296-L300 VanDerWaalsContact O-CB 3.29Å; W296-L300 WeakPolarHBondContact O-CB 3.38Å; W296-L300 VanDerWaalsContact O-CG 3.23Å; W296-L300 WeakPolarHBondContact O-CG 3.45Å; W296-L300 PolarHBondContact O-N 3.47Å; W296-L320 HydrophobicContact CG-CD2 4.49Å; W296-L320 HydrophobicContact CZ2-CB 4.38Å; W296-L320 PolarHBondContact NE1-O 3.31Å; W296-Y323 AromaticContact CD1-CD1 3.39Å; W296-Y323 HydrophobicContact CG-CD1 4.33Å; W296-Y323 AromaticContact NE1-CD1 3.95Å; W296-Y324 HydrophobicContact CH2-CD2 4.21Å; W296-Y324 HydrophobicContact CZ2-CD2 4.04Å; W296-Y324 HydrophobicContact CZ2-CG 4.31Å; W296-F328 HydrophobicContact CB-CE2 4.21Å; W296-F328 HydrophobicContact CB-CZ 4.03Å; W296-F328 AromaticContact CD2-CE2 3.96Å; W296-F328 HydrophobicContact CD2-CE2 3.96Å; W296-F328 HydrophobicContact CD2-CZ 4.47Å; W296-F328 AromaticContact CG-CE2 3.81Å; W296-F328 HydrophobicContact CG-CE2 3.81Å; W296-F328 HydrophobicContact CG-CZ 4.13Å; W296-V337 HydrophobicContact CE3-CG1 4.38Å; W296-V337 HydrophobicContact CH2-CG1 3.99Å; W296-V337 HydrophobicContact CZ3-CG1 3.58Å; W296-W363 AromaticContact CH2-CH2 3.87Å; W296-W363 HydrophobicContact CH2-CH2 3.87Å; W296-W363 HydrophobicContact CH2-CZ3 4.13Å; W296-W363 AromaticContact CZ2-CH2 3.88Å; W296-W363 HydrophobicContact CZ2-CH2 3.88Å; W296-W363 AromaticContact CZ2-CZ3 3.84Å; W296-W363 HydrophobicContact CZ2-CZ3 3.84Å; W296-I366 HydrophobicContact CH2-CG2 3.82Å; W296-I366 HydrophobicContact CZ2-CG2 4.3Å; W296-T367 HydrophobicContact CH2-CG2 4.01Å
297	E	97.6	Very high	95.3	Very high	79 Å²	79	56.2 Å²	56.2	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-55.2	-45.5	173.1	-73.5	173	-167.9	0	0	111.2	Q293 K294 S301	Q293-E297 HydrophobicContact CG-CG 4.42Å; Q293-E297 VanDerWaalsContact CG-OE1 3.24Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.29Å; Q293-E297 PolarHBondContact NE2-OE1 2.87Å; Q293-E297 WeakPolarHBondContact O-CG 3.5Å; Q293-E297 PolarHBondContact O-N 3.15Å; K294-E297 WeakPolarHBondContact CD-OE2 3.49Å; K294-E297 WeakPolarHBondContact CE-OE2 3.48Å; K294-E297 IonicContact NZ-OE1 3.81Å; K294-E297 IonicContact NZ-OE2 3.63Å; K294-E297 PolarHBondContact NZ-OE2 2.87Å; K294-E297 PolarHBondContact O-N 2.93Å; E297-S301 WeakPolarHBondContact O-CA 3.38Å; E297-S301 WeakPolarHBondContact O-CB 2.85Å; E297-S301 PolarHBondContact O-N 3.19Å
298	M	97.6	Very high	95.4	Very high	51 Å²	51	56.4 Å²	56.4	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-72	-39.6	-180	-67.1	-52.1	-76.5	0	0	113.4	L259 V285 K294 V295 W296 L300	L259-M298 HydrophobicContact CD1-CB 4.13Å; L259-M298 HydrophobicContact CD1-CG 4.18Å; L259-M298 HydrophobicContact CD2-CB 3.88Å; V285-M298 HydrophobicContact CG1-CE 3.53Å; K294-M298 VanDerWaalsContact O-CG 3.27Å; K294-M298 WeakPolarHBondContact O-CG 3.3Å; K294-M298 PolarHBondContact O-N 2.68Å; V295-M298 PolarHBondContact O-N 3.17Å; W296-M298 VanDerWaalsContact C-N 3.3Å; W296-M298 PolarHBondContact O-N 2.89Å; M298-L300 VanDerWaalsContact C-N 3.28Å; M298-L300 PolarHBondContact O-N 2.9Å
299	L	97.8	Very high	95.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-30.6	176.9	-70.2	174.9	0	0	0	112.3	V295 W296 V307 F310 R344 I345	V295-L299 HydrophobicContact CG1-CD1 3.82Å; V295-L299 HydrophobicContact CG1-CG 4.25Å; V295-L299 WeakPolarHBondContact O-CB 3.45Å; V295-L299 VanDerWaalsContact O-CG 3.3Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.45Å; W296-L299 HydrophobicContact CE3-CD1 4.38Å; W296-L299 PolarHBondContact O-N 2.81Å; L299-V307 HydrophobicContact CD2-CG1 3.99Å; L299-F310 HydrophobicContact CD2-CB 4.11Å; L299-F310 HydrophobicContact CD2-CG 4.33Å; L299-R344 PolarHBondContact O-NH2 2.93Å; L299-I345 HydrophobicContact CD2-CD1 3.96Å
300	L	97.4	Very high	96.4	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.12	26%	0.258	C	S	.	.	H	α-helix	trans	-98.2	-11.7	-178.6	-58.4	174.5	0	0	0	113.3	W296 M298 F302 F328 V337 V340 R344	W296-L300 HydrophobicContact CE3-CD1 4.17Å; W296-L300 HydrophobicContact CE3-CG 4.28Å; W296-L300 VanDerWaalsContact O-CB 3.29Å; W296-L300 WeakPolarHBondContact O-CB 3.38Å; W296-L300 VanDerWaalsContact O-CG 3.23Å; W296-L300 WeakPolarHBondContact O-CG 3.45Å; W296-L300 PolarHBondContact O-N 3.47Å; M298-L300 VanDerWaalsContact C-N 3.28Å; M298-L300 PolarHBondContact O-N 2.9Å; L300-F302 WeakPolarHBondContact O-CD2 3.31Å; L300-F302 WeakPolarHBondContact O-CE2 3.42Å; L300-F328 HydrophobicContact CD1-CE1 4.2Å; L300-F328 HydrophobicContact CD1-CZ 4.06Å; L300-V337 HydrophobicContact CD1-CG2 3.84Å; L300-V337 HydrophobicContact CD2-CB 4.36Å; L300-V337 HydrophobicContact CD2-CG1 4.3Å; L300-V337 HydrophobicContact CD2-CG2 4.12Å; L300-V340 HydrophobicContact CD2-CB 4.09Å; L300-V340 HydrophobicContact CD2-CG1 3.78Å; L300-R344 PolarHBondContact O-NH2 3.04Å
301	S	95.1	Very high	96.7	Very high	30 Å²	30	48 Å²	48	21%	0.21	25%	0.249	C	C	.	.			trans	-62.5	142.2	178.2	178.2	0	0	0	0	111.9	E297 K303 R344	E297-S301 WeakPolarHBondContact O-CA 3.38Å; E297-S301 WeakPolarHBondContact O-CB 2.85Å; E297-S301 PolarHBondContact O-N 3.19Å; S301-K303 WeakPolarHBondContact OG-CB 3.17Å; S301-K303 PolarHBondContact OG-N 3.45Å; S301-R344 VanDerWaalsContact O-CZ 3.24Å; S301-R344 PolarHBondContact O-NH1 3.32Å; S301-R344 PolarHBondContact O-NH2 3.3Å
302	F	93.6	Very high	96.5	Very high	130 Å²	130	43.4 Å²	43.4	57%	0.57	23%	0.227	S	C	*	.			trans	-102.2	0.3	168.7	-69.4	-97.2	0	0	0	112.4	L300 F336 V340	L300-F302 WeakPolarHBondContact O-CD2 3.31Å; L300-F302 WeakPolarHBondContact O-CE2 3.42Å; F302-F336 HydrophobicContact CE2-CE2 4.37Å; F302-F336 AromaticContact CE2-CZ 3.97Å; F302-F336 HydrophobicContact CE2-CZ 3.97Å; F302-V340 HydrophobicContact CE2-CG2 4.45Å; F302-V340 HydrophobicContact CZ-CG2 4.06Å
303	K	93.4	Very high	96	Very high	172 Å²	172	42 Å²	42	75%	0.748	22%	0.218	S	C	*	.	S	Bend	trans	-77.9	132.2	178	-61.4	-177.1	177.9	-177.8	0	109.3	S301 P305	S301-K303 WeakPolarHBondContact OG-CB 3.17Å; S301-K303 PolarHBondContact OG-N 3.45Å; K303-P305 CarbonylContact O-C 3.55Å
304	A	91	Very high	95.2	Very high	91 Å²	91	37.8 Å²	37.8	75%	0.752	20%	0.199	S	C	*	.	S	Bend	trans	-64.3	145.5	174.3	0	0	0	0	0	111
305	P	94.9	Very high	94.2	Very high	33 Å²	33	35 Å²	35	21%	0.214	19%	0.189	C	C	.	.	S	Bend	cis	-72.9	132.7	-5.4	31.7	-36.2	0	0	0	112.2	L73 A76 V257 T283 V285 K303	L73-P305 HydrophobicContact CD2-CB 4.19Å; L73-P305 HydrophobicContact CD2-CG 4.07Å; A76-P305 HydrophobicContact CB-CG 4.25Å; V257-P305 HydrophobicContact CG1-CB 3.88Å; V257-P305 HydrophobicContact CG1-CG 4.46Å; V257-P305 HydrophobicContact CG2-CB 4.31Å; T283-P305 HydrophobicContact CG2-CB 4.25Å; T283-P305 HydrophobicContact CG2-CG 4.36Å; V285-P305 HydrophobicContact CG2-CB 4.32Å; V285-P305 HydrophobicContact CG2-CG 3.57Å; K303-P305 CarbonylContact O-C 3.55Å
306	V	96.9	Very high	93.6	Very high	52 Å²	52	35.6 Å²	35.6	32%	0.315	19%	0.192	S	C	.	.			trans	-87.3	114.7	-175.2	-178.5	0	0	0	0	109.8	V257 N308	V257-V306 VanDerWaalsContact CB-O 3.27Å; V257-V306 WeakPolarHBondContact CB-O 3.39Å; V257-V306 WeakPolarHBondContact CG2-O 3.31Å; V306-N308 PolarHBondContact O-N 3.43Å
307	V	98.3	Very high	93.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.192	C	C	.	.			trans	-62.5	129.2	-179.8	176.4	0	0	0	0	110.6	V257 L259 L299 I345	V257-V307 HydrophobicContact CG1-CG2 4.32Å; L259-V307 HydrophobicContact CB-CG1 3.78Å; L259-V307 HydrophobicContact CB-CG2 4Å; L299-V307 HydrophobicContact CD2-CG1 3.99Å; V307-I345 HydrophobicContact CG1-CD1 4.39Å; V307-I345 WeakPolarHBondContact O-CD1 3.37Å
308	N	98.6	Very high	92.5	Very high	30 Å²	30	34 Å²	34	16%	0.16	19%	0.19	C	C	.	.			trans	-129.8	-4	175.7	65.2	4.1	0	0	0	113.5	D255 D256 V257 V306 R344 I345 R346	D255-N308 PolarHBondContact O-ND2 3.05Å; D256-N308 WeakPolarHBondContact CA-OD1 3.3Å; V257-N308 PolarHBondContact N-OD1 3.27Å; V257-N308 PolarHBondContact O-N 2.86Å; V257-N308 PolarHBondContact O-OD1 2.92Å; V306-N308 PolarHBondContact O-N 3.43Å; N308-R344 WeakPolarHBondContact CA-O 3.12Å; N308-R344 WeakPolarHBondContact CB-O 3.46Å; N308-I345 CarbonylContact O-C 3.47Å; N308-I345 WeakPolarHBondContact O-CA 3.29Å; N308-I345 WeakPolarHBondContact O-CG2 3.4Å; N308-R346 PolarHBondContact O-N 3.28Å
309	V	98.8	Very high	91.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.6	174.1	-179.4	0	0	0	0	110	W252 D256 V257 I258 L259 M311 R346 L347	W252-V309 HydrophobicContact CH2-CG1 3.95Å; W252-V309 HydrophobicContact CZ2-CG1 4.31Å; W252-V309 HydrophobicContact CZ3-CG1 4.44Å; W252-V309 HydrophobicContact CZ3-CG2 4.47Å; D256-V309 HydrophobicContact CB-CG2 4.18Å; V257-V309 PolarHBondContact O-N 3.22Å; V257-V309 VanDerWaalsContact O-N 3.16Å; I258-V309 WeakPolarHBondContact CA-O 3.43Å; I258-V309 HydrophobicContact CB-CB 4.16Å; I258-V309 HydrophobicContact CB-CG1 4.36Å; I258-V309 HydrophobicContact CD1-CG1 3.91Å; I258-V309 HydrophobicContact CG1-CB 4.38Å; I258-V309 HydrophobicContact CG1-CG1 4.18Å; L259-V309 PolarHBondContact N-O 2.95Å; V309-M311 HydrophobicContact CG1-CE 3.73Å; V309-M311 HydrophobicContact CG1-CG 4.28Å; V309-R346 HydrophobicContact CG2-CG 4.1Å; V309-L347 HydrophobicContact CG1-CB 4.47Å
310	F	98.6	Very high	91.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.8	174.3	-177.2	-118.1	0	0	0	111.8	L259 V295 L299 A312 I316 Y317 L320 L347 M348 V349	L259-F310 HydrophobicContact CB-CD2 4.12Å; L259-F310 HydrophobicContact CD2-CD2 4.21Å; L259-F310 HydrophobicContact CD2-CE2 4.21Å; L259-F310 HydrophobicContact CG-CD2 4.41Å; V295-F310 HydrophobicContact CG1-CE2 4.1Å; V295-F310 HydrophobicContact CG1-CZ 3.94Å; L299-F310 HydrophobicContact CD2-CB 4.11Å; L299-F310 HydrophobicContact CD2-CG 4.33Å; F310-A312 HydrophobicContact CE1-CB 3.84Å; F310-A312 HydrophobicContact CZ-CB 3.77Å; F310-I316 HydrophobicContact CE1-CG2 4.48Å; F310-I316 HydrophobicContact CZ-CG2 3.99Å; F310-Y317 AromaticContact CD1-CE1 3.95Å; F310-Y317 HydrophobicContact CD1-CE1 3.95Å; F310-Y317 HydrophobicContact CE1-CD1 4.46Å; F310-Y317 AromaticContact CE1-CE1 3.79Å; F310-Y317 HydrophobicContact CE1-CE1 3.79Å; F310-L320 HydrophobicContact CE1-CD1 3.74Å; F310-L320 HydrophobicContact CZ-CD1 3.9Å; F310-L347 PolarHBondContact N-O 2.74Å; F310-M348 HydrophobicContact CB-CG 4.4Å; F310-M348 CarbonylContact O-C 3.58Å; F310-M348 WeakPolarHBondContact O-CA 3.24Å; F310-V349 PolarHBondContact O-N 3.2Å
311	M	97.8	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.5	178.2	-50	-171.2	178.1	0	0	109.6	W250 W252 I258 N272 K273 V309 L347 V349	W250-M311 HydrophobicContact CE3-CE 3.63Å; W250-M311 HydrophobicContact CE3-SD 4.2Å; W250-M311 HydrophobicContact CZ3-CE 3.82Å; W250-M311 HydrophobicContact CZ3-SD 3.74Å; W252-M311 HydrophobicContact CH2-CE 4.18Å; W252-M311 HydrophobicContact CZ2-CE 3.31Å; W252-M311 HydrophobicContact CZ2-SD 4.26Å; I258-M311 HydrophobicContact CD1-CB 4.45Å; I258-M311 HydrophobicContact CD1-CE 4.42Å; I258-M311 HydrophobicContact CD1-CG 3.89Å; I258-M311 HydrophobicContact CD1-SD 4.19Å; N272-M311 HydrophobicContact CB-SD 4.08Å; K273-M311 HydrophobicContact CD-CB 3.98Å; K273-M311 WeakPolarHBondContact CD-O 3.38Å; K273-M311 VanDerWaalsContact CE-O 3.27Å; K273-M311 WeakPolarHBondContact CE-O 3.37Å; K273-M311 HydrophobicContact CG-CB 4.03Å; K273-M311 HydrophobicContact CG-SD 4.44Å; K273-M311 PolarHBondContact NZ-O 3.19Å; V309-M311 HydrophobicContact CG1-CE 3.73Å; V309-M311 HydrophobicContact CG1-CG 4.28Å; M311-L347 HydrophobicContact CE-CD2 3.99Å; M311-V349 CarbonylContact C-O 3.33Å; M311-V349 WeakPolarHBondContact CA-O 3.4Å; M311-V349 HydrophobicContact CB-CB 4.04Å; M311-V349 HydrophobicContact CE-CG2 3.87Å; M311-V349 HydrophobicContact CG-CB 3.74Å; M311-V349 HydrophobicContact CG-CG2 3.95Å; M311-V349 HydrophobicContact SD-CB 4.13Å; M311-V349 HydrophobicContact SD-CG2 4.06Å
312	A	91.8	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	176.1	-177.4	0	0	0	0	0	112.3	H268 F310 I316 Y317 V349 S350 G351	H268-A312 PolarHBondContact CE1-O 2.87Å; F310-A312 HydrophobicContact CE1-CB 3.84Å; F310-A312 HydrophobicContact CZ-CB 3.77Å; A312-I316 HydrophobicContact CB-CB 3.86Å; A312-I316 HydrophobicContact CB-CD1 4.21Å; A312-I316 HydrophobicContact CB-CG2 3.55Å; A312-Y317 HydrophobicContact CB-CD2 4.21Å; A312-Y317 HydrophobicContact CB-CE2 3.69Å; A312-V349 PolarHBondContact N-O 2.61Å; A312-S350 WeakPolarHBondContact O-CA 2.96Å; A312-G351 PolarHBondContact O-N 2.79Å
313	V	85.1	Confident	91.4	Very high	4 Å²	4	36 Å²	36	2%	0.024	19%	0.194	C	C	.	.			trans	-90.6	157.5	170.8	-62.1	0	0	0	0	110.2	L262 T315 I316 Y317 G351 M575	L262-V313 HydrophobicContact CD2-CG1 4.45Å; V313-T315 VanDerWaalsContact CG2-OG1 3.29Å; V313-T315 WeakPolarHBondContact CG2-OG1 3.5Å; V313-T315 PolarHBondContact O-N 2.97Å; V313-T315 VanDerWaalsContact O-N 3.14Å; V313-I316 HydrophobicContact CG2-CB 4.26Å; V313-I316 HydrophobicContact CG2-CD1 4Å; V313-I316 HydrophobicContact CG2-CG1 3.87Å; V313-I316 WeakPolarHBondContact O-CB 3.47Å; V313-I316 PolarHBondContact O-N 3.45Å; V313-Y317 WeakPolarHBondContact O-CD2 3.39Å; V313-Y317 PolarHBondContact O-N 3.12Å; V313-G351 WeakPolarHBondContact CA-O 3.33Å; V313-G351 WeakPolarHBondContact CG1-O 3.5Å; V313-M575 HydrophobicContact CG1-CE 3.66Å
314	P	80.9	Confident	91.6	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.039	16%	0.16	C	C	.	.	H	α-helix	trans	-49.5	-41.6	180	-30.5	34.6	0	0	0	114.4	I316 Y317 S318 G351 A353 A354 L355	P314-I316 VanDerWaalsContact C-N 3.28Å; P314-I316 PolarHBondContact O-N 2.81Å; P314-Y317 WeakPolarHBondContact O-CB 3.29Å; P314-Y317 PolarHBondContact O-N 3.05Å; P314-Y317 VanDerWaalsContact O-N 3.07Å; P314-S318 PolarHBondContact O-N 3.07Å; P314-S318 PolarHBondContact O-OG 3.15Å; P314-S318 VanDerWaalsContact O-OG 3.13Å; P314-G351 WeakPolarHBondContact CD-O 3.48Å; P314-A353 HydrophobicContact CG-CB 4.21Å; P314-A354 WeakPolarHBondContact CG-O 3.33Å; P314-L355 HydrophobicContact CB-CD1 4.18Å; P314-L355 HydrophobicContact CG-CB 4.41Å; P314-L355 HydrophobicContact CG-CD1 4.26Å
315	T	76.4	Confident	91.7	Very high	29 Å²	29	27 Å²	27	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-30.3	-179.6	54.1	0	0	0	0	113.9	V313 K319 G576	V313-T315 VanDerWaalsContact CG2-OG1 3.29Å; V313-T315 WeakPolarHBondContact CG2-OG1 3.5Å; V313-T315 PolarHBondContact O-N 2.97Å; V313-T315 VanDerWaalsContact O-N 3.14Å; T315-K319 WeakPolarHBondContact O-CG 3.29Å; T315-K319 PolarHBondContact O-N 3.33Å; T315-G576 VanDerWaalsContact CG2-O 3.29Å; T315-G576 WeakPolarHBondContact CG2-O 3.46Å
316	I	85.8	Confident	91.7	Very high	12 Å²	12	31 Å²	31	6%	0.062	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-44	173.5	-75.8	177.6	0	0	0	109.7	L262 F290 F310 A312 V313 P314 S318 K319 L320	L262-I316 HydrophobicContact CD2-CD1 3.53Å; F290-I316 HydrophobicContact CB-CD1 4.46Å; F290-I316 HydrophobicContact CD1-CG1 4.22Å; F290-I316 HydrophobicContact CD2-CD1 4.15Å; F290-I316 HydrophobicContact CD2-CG1 4.08Å; F290-I316 HydrophobicContact CD2-CG2 3.88Å; F290-I316 HydrophobicContact CE1-CG1 4.34Å; F290-I316 HydrophobicContact CE2-CB 4.25Å; F290-I316 HydrophobicContact CE2-CG1 4.24Å; F290-I316 HydrophobicContact CE2-CG2 3.44Å; F290-I316 VanDerWaalsContact CE2-CG2 3.44Å; F290-I316 HydrophobicContact CG-CD1 4.2Å; F290-I316 HydrophobicContact CG-CG1 4.07Å; F290-I316 HydrophobicContact CZ-CB 4.33Å; F290-I316 HydrophobicContact CZ-CG1 4.34Å; F290-I316 HydrophobicContact CZ-CG2 3.88Å; F310-I316 HydrophobicContact CE1-CG2 4.48Å; F310-I316 HydrophobicContact CZ-CG2 3.99Å; A312-I316 HydrophobicContact CB-CB 3.86Å; A312-I316 HydrophobicContact CB-CD1 4.21Å; A312-I316 HydrophobicContact CB-CG2 3.55Å; V313-I316 HydrophobicContact CG2-CB 4.26Å; V313-I316 HydrophobicContact CG2-CD1 4Å; V313-I316 HydrophobicContact CG2-CG1 3.87Å; V313-I316 WeakPolarHBondContact O-CB 3.47Å; V313-I316 PolarHBondContact O-N 3.45Å; P314-I316 VanDerWaalsContact C-N 3.28Å; P314-I316 PolarHBondContact O-N 2.81Å; I316-S318 PolarHBondContact O-N 3.02Å; I316-K319 PolarHBondContact O-N 2.58Å; I316-L320 HydrophobicContact CG2-CD1 3.82Å; I316-L320 HydrophobicContact CG2-CG 4.36Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.26Å; I316-L320 PolarHBondContact O-N 2.8Å
317	Y	90.9	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-44.9	175.1	-69.9	-70.4	0	0	0	111.4	F310 A312 V313 P314 K319 L320 I321 V349 W363 L371	F310-Y317 AromaticContact CD1-CE1 3.95Å; F310-Y317 HydrophobicContact CD1-CE1 3.95Å; F310-Y317 HydrophobicContact CE1-CD1 4.46Å; F310-Y317 AromaticContact CE1-CE1 3.79Å; F310-Y317 HydrophobicContact CE1-CE1 3.79Å; A312-Y317 HydrophobicContact CB-CD2 4.21Å; A312-Y317 HydrophobicContact CB-CE2 3.69Å; V313-Y317 WeakPolarHBondContact O-CD2 3.39Å; V313-Y317 PolarHBondContact O-N 3.12Å; P314-Y317 WeakPolarHBondContact O-CB 3.29Å; P314-Y317 PolarHBondContact O-N 3.05Å; P314-Y317 VanDerWaalsContact O-N 3.07Å; Y317-K319 VanDerWaalsContact C-N 3.34Å; Y317-K319 PolarHBondContact O-N 3.17Å; Y317-L320 PolarHBondContact O-N 2.81Å; Y317-L320 VanDerWaalsContact O-N 3.14Å; Y317-I321 VanDerWaalsContact O-CG1 3.27Å; Y317-I321 WeakPolarHBondContact O-CG1 2.95Å; Y317-I321 PolarHBondContact O-N 3.26Å; Y317-V349 PolarHBondContact OH-N 2.65Å; Y317-V349 PolarHBondContact OH-O 3.02Å; Y317-W363 AromaticContact CD1-CD2 3.66Å; Y317-W363 HydrophobicContact CD1-CD2 3.66Å; Y317-W363 AromaticContact CD1-CE2 3.62Å; Y317-W363 AromaticContact CD1-CE3 3.9Å; Y317-W363 HydrophobicContact CD1-CE3 3.9Å; Y317-W363 HydrophobicContact CD1-CG 4.24Å; Y317-W363 HydrophobicContact CD1-CH2 4.06Å; Y317-W363 AromaticContact CD1-CZ2 3.82Å; Y317-W363 HydrophobicContact CD1-CZ2 3.82Å; Y317-W363 HydrophobicContact CD1-CZ3 4.1Å; Y317-W363 HydrophobicContact CE1-CD2 4.19Å; Y317-W363 AromaticContact CE1-CE2 3.69Å; Y317-W363 HydrophobicContact CE1-CH2 4.41Å; Y317-W363 AromaticContact CE1-CZ2 3.8Å; Y317-W363 HydrophobicContact CE1-CZ2 3.8Å; Y317-W363 AromaticContact CE1-NE1 3.95Å; Y317-L371 HydrophobicContact CD1-CD1 4.05Å; Y317-L371 HydrophobicContact CD1-CD2 4.21Å; Y317-L371 HydrophobicContact CD2-CD1 3.95Å; Y317-L371 HydrophobicContact CE1-CD1 4.15Å; Y317-L371 HydrophobicContact CE1-CD2 3.54Å; Y317-L371 HydrophobicContact CE2-CD1 4.04Å; Y317-L371 HydrophobicContact CE2-CD2 4.2Å; Y317-L371 HydrophobicContact CG-CD1 3.95Å
318	S	82.9	Confident	91.6	Very high	49 Å²	49	35.2 Å²	35.2	34%	0.343	17%	0.172	S	C	.	.	H	α-helix	trans	-58.2	-43.9	175.6	-49.9	0	0	0	0	112.2	P314 I316 L320 I321 Q322 T359	P314-S318 PolarHBondContact O-N 3.07Å; P314-S318 PolarHBondContact O-OG 3.15Å; P314-S318 VanDerWaalsContact O-OG 3.13Å; I316-S318 PolarHBondContact O-N 3.02Å; S318-L320 PolarHBondContact O-N 3.44Å; S318-I321 PolarHBondContact O-N 3.49Å; S318-Q322 WeakPolarHBondContact O-CB 3.39Å; S318-Q322 PolarHBondContact O-N 3.1Å; S318-T359 PolarHBondContact OG-OG1 2.53Å
319	K	83	Confident	91.4	Very high	109 Å²	109	37.9 Å²	37.9	47%	0.474	19%	0.19	S	C	.	.	H	α-helix	trans	-66.5	-34.2	176.2	-73.5	-176.2	176.9	-169.5	0	113.1	F290 P292 T315 I316 Y317 Y323	F290-K319 HydrophobicContact CD1-CD 4.49Å; F290-K319 HydrophobicContact CE1-CB 3.8Å; F290-K319 HydrophobicContact CE1-CD 3.74Å; F290-K319 HydrophobicContact CE1-CG 4.39Å; F290-K319 HydrophobicContact CZ-CB 3.9Å; P292-K319 HydrophobicContact CG-CB 4.33Å; T315-K319 WeakPolarHBondContact O-CG 3.29Å; T315-K319 PolarHBondContact O-N 3.33Å; I316-K319 PolarHBondContact O-N 2.58Å; Y317-K319 VanDerWaalsContact C-N 3.34Å; Y317-K319 PolarHBondContact O-N 3.17Å; K319-Y323 WeakPolarHBondContact O-CB 3.45Å; K319-Y323 PolarHBondContact O-N 3.29Å
320	L	96.4	Very high	91.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.3	-39	175.2	-70.6	168.6	0	0	0	112.1	F290 P292 V295 W296 F310 I316 Y317 S318 Y324 W363	F290-L320 HydrophobicContact CE2-CD1 4.42Å; F290-L320 HydrophobicContact CE2-CD2 4.03Å; F290-L320 HydrophobicContact CE2-CG 4.07Å; F290-L320 HydrophobicContact CZ-CD2 4.23Å; F290-L320 HydrophobicContact CZ-CG 4.1Å; P292-L320 HydrophobicContact CB-CD2 4.17Å; V295-L320 HydrophobicContact CB-CD2 3.76Å; V295-L320 HydrophobicContact CG1-CD1 3.91Å; V295-L320 HydrophobicContact CG1-CD2 3.6Å; V295-L320 HydrophobicContact CG1-CG 4.41Å; W296-L320 HydrophobicContact CG-CD2 4.49Å; W296-L320 HydrophobicContact CZ2-CB 4.38Å; W296-L320 PolarHBondContact NE1-O 3.31Å; F310-L320 HydrophobicContact CE1-CD1 3.74Å; F310-L320 HydrophobicContact CZ-CD1 3.9Å; I316-L320 HydrophobicContact CG2-CD1 3.82Å; I316-L320 HydrophobicContact CG2-CG 4.36Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.26Å; I316-L320 PolarHBondContact O-N 2.8Å; Y317-L320 PolarHBondContact O-N 2.81Å; Y317-L320 VanDerWaalsContact O-N 3.14Å; S318-L320 PolarHBondContact O-N 3.44Å; L320-Y324 VanDerWaalsContact O-CB 3.3Å; L320-Y324 WeakPolarHBondContact O-CB 3.32Å; L320-Y324 PolarHBondContact O-N 2.9Å; L320-W363 HydrophobicContact CB-CH2 3.98Å; L320-W363 HydrophobicContact CB-CZ3 3.61Å; L320-W363 HydrophobicContact CD1-CH2 3.82Å; L320-W363 HydrophobicContact CD1-CZ3 4.23Å
321	I	94.1	Very high	91.1	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.087	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-49.3	173.3	-69	165.7	0	0	0	109.9	Y317 S318 Y323 Y324 D325 T359 R362 W363 I366	Y317-I321 VanDerWaalsContact O-CG1 3.27Å; Y317-I321 WeakPolarHBondContact O-CG1 2.95Å; Y317-I321 PolarHBondContact O-N 3.26Å; S318-I321 PolarHBondContact O-N 3.49Å; I321-Y323 VanDerWaalsContact C-N 3.35Å; I321-Y323 PolarHBondContact O-N 3.22Å; I321-Y324 WeakPolarHBondContact O-CA 3.26Å; I321-Y324 WeakPolarHBondContact O-CB 3.44Å; I321-Y324 PolarHBondContact O-N 2.93Å; I321-D325 PolarHBondContact O-N 2.81Å; I321-T359 HydrophobicContact CD1-CG2 3.94Å; I321-R362 HydrophobicContact CD1-CB 4.08Å; I321-R362 HydrophobicContact CD1-CG 4.05Å; I321-R362 HydrophobicContact CG1-CG 4.26Å; I321-R362 HydrophobicContact CG2-CG 3.52Å; I321-W363 HydrophobicContact CD1-CB 4.44Å; I321-W363 HydrophobicContact CD1-CE3 4.23Å; I321-W363 HydrophobicContact CG1-CE3 3.74Å; I321-W363 HydrophobicContact CG1-CZ3 4.26Å; I321-I366 HydrophobicContact CB-CD1 4.35Å; I321-I366 HydrophobicContact CG1-CD1 3.97Å; I321-I366 HydrophobicContact CG2-CD1 4.11Å
322	Q	87.8	Confident	91	Very high	108 Å²	108	53.5 Å²	53.5	51%	0.505	27%	0.271	S	S	.	.	H	α-helix	trans	-58	-47.4	178.2	-176.8	-176.2	19.7	0	0	111.7	S318 Y324 D325 Q326	S318-Q322 WeakPolarHBondContact O-CB 3.39Å; S318-Q322 PolarHBondContact O-N 3.1Å; Q322-Y324 VanDerWaalsContact C-N 3.26Å; Q322-Y324 PolarHBondContact O-N 3.01Å; Q322-D325 PolarHBondContact O-N 3.07Å; Q322-Q326 VanDerWaalsContact O-CG 3.28Å; Q322-Q326 WeakPolarHBondContact O-CG 3.35Å; Q322-Q326 PolarHBondContact O-N 3Å; Q322-Q326 VanDerWaalsContact O-N 3.16Å
323	Y	96.4	Very high	91.2	Very high	43 Å²	43	55.2 Å²	55.2	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-41.6	174.7	-174.1	-84.7	0	0	0	110.8	P292 Q293 W296 K319 I321 D325 Q326 H327 F328	P292-Y323 HydrophobicContact CB-CD2 3.78Å; P292-Y323 HydrophobicContact CB-CG 3.76Å; Q293-Y323 HydrophobicContact CB-CE1 4.43Å; Q293-Y323 HydrophobicContact CB-CE2 3.69Å; Q293-Y323 WeakPolarHBondContact CB-OH 3.47Å; Q293-Y323 VanDerWaalsContact CG-OH 3.3Å; Q293-Y323 WeakPolarHBondContact CG-OH 3.4Å; W296-Y323 AromaticContact CD1-CD1 3.39Å; W296-Y323 HydrophobicContact CG-CD1 4.33Å; W296-Y323 AromaticContact NE1-CD1 3.95Å; K319-Y323 WeakPolarHBondContact O-CB 3.45Å; K319-Y323 PolarHBondContact O-N 3.29Å; I321-Y323 VanDerWaalsContact C-N 3.35Å; I321-Y323 PolarHBondContact O-N 3.22Å; Y323-D325 PolarHBondContact O-N 2.93Å; Y323-Q326 PolarHBondContact O-N 2.77Å; Y323-H327 HydrophobicContact CD1-CB 4.29Å; Y323-H327 AromaticContact CD1-CD2 3.83Å; Y323-H327 AromaticContact CD2-CD2 3.36Å; Y323-H327 WeakPolarHBondContact CD2-CD2 3.33Å; Y323-H327 AromaticContact CD2-NE2 3.69Å; Y323-H327 HydrophobicContact CE1-CB 3.91Å; Y323-H327 AromaticContact CE1-CD2 3.74Å; Y323-H327 AromaticContact CE1-CG 3.96Å; Y323-H327 AromaticContact CE2-CD2 3.25Å; Y323-H327 WeakPolarHBondContact CE2-CD2 3.49Å; Y323-H327 AromaticContact CE2-NE2 3.42Å; Y323-H327 WeakPolarHBondContact CE2-NE2 3.44Å; Y323-H327 AromaticContact CG-CD2 3.65Å; Y323-H327 AromaticContact CZ-CD2 3.44Å; Y323-H327 VanDerWaalsContact CZ-CD2 3.44Å; Y323-H327 AromaticContact CZ-CG 3.77Å; Y323-H327 AromaticContact CZ-NE2 3.94Å; Y323-H327 WeakPolarHBondContact O-CB 3.23Å; Y323-H327 PolarHBondContact O-CD2 3.39Å; Y323-H327 PolarHBondContact O-N 3.04Å; Y323-F328 HydrophobicContact CD1-CE2 4.16Å; Y323-F328 HydrophobicContact CE1-CE2 4.15Å; Y323-F328 HydrophobicContact CE1-CZ 4.4Å
324	Y	97.8	Very high	91.8	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-47	-179.5	171	-83.1	0	0	0	112.3	W296 L320 I321 Q322 Q326 H327 F328 K334 V337 I366	W296-Y324 HydrophobicContact CH2-CD2 4.21Å; W296-Y324 HydrophobicContact CZ2-CD2 4.04Å; W296-Y324 HydrophobicContact CZ2-CG 4.31Å; L320-Y324 VanDerWaalsContact O-CB 3.3Å; L320-Y324 WeakPolarHBondContact O-CB 3.32Å; L320-Y324 PolarHBondContact O-N 2.9Å; I321-Y324 WeakPolarHBondContact O-CA 3.26Å; I321-Y324 WeakPolarHBondContact O-CB 3.44Å; I321-Y324 PolarHBondContact O-N 2.93Å; Q322-Y324 VanDerWaalsContact C-N 3.26Å; Q322-Y324 PolarHBondContact O-N 3.01Å; Y324-Q326 PolarHBondContact O-N 3.15Å; Y324-H327 PolarHBondContact O-N 2.85Å; Y324-F328 HydrophobicContact CD2-CB 3.94Å; Y324-F328 AromaticContact CD2-CD2 3.3Å; Y324-F328 HydrophobicContact CD2-CD2 3.3Å; Y324-F328 HydrophobicContact CD2-CE2 4.11Å; Y324-F328 AromaticContact CD2-CG 3.96Å; Y324-F328 HydrophobicContact CD2-CG 3.96Å; Y324-F328 HydrophobicContact CE2-CB 3.89Å; Y324-F328 HydrophobicContact CE2-CD2 4.02Å; Y324-F328 HydrophobicContact CE2-CG 4.23Å; Y324-F328 HydrophobicContact CG-CB 4.46Å; Y324-F328 AromaticContact CG-CD2 3.87Å; Y324-F328 HydrophobicContact CG-CD2 3.87Å; Y324-F328 PolarHBondContact O-N 3.37Å; Y324-K334 HydrophobicContact CE1-CG 4.48Å; Y324-K334 WeakPolarHBondContact OH-CA 3.47Å; Y324-K334 WeakPolarHBondContact OH-CB 3.31Å; Y324-K334 WeakPolarHBondContact OH-CG 3.32Å; Y324-V337 HydrophobicContact CD2-CG1 4.25Å; Y324-V337 HydrophobicContact CE2-CB 4.04Å; Y324-V337 HydrophobicContact CE2-CG1 3.81Å; Y324-V337 HydrophobicContact CE2-CG2 4.14Å; Y324-I366 HydrophobicContact CD1-CD1 3.59Å; Y324-I366 HydrophobicContact CD1-CG1 3.8Å; Y324-I366 HydrophobicContact CD1-CG2 4.13Å; Y324-I366 HydrophobicContact CD2-CG2 3.61Å; Y324-I366 HydrophobicContact CE1-CB 4.39Å; Y324-I366 HydrophobicContact CE1-CD1 3.95Å; Y324-I366 HydrophobicContact CE1-CG1 3.6Å; Y324-I366 HydrophobicContact CE1-CG2 4.03Å; Y324-I366 HydrophobicContact CE2-CG2 3.53Å; Y324-I366 HydrophobicContact CG-CD1 4.06Å; Y324-I366 HydrophobicContact CG-CG1 4.39Å; Y324-I366 HydrophobicContact CG-CG2 3.93Å
325	D	92.9	Very high	92.5	Very high	65 Å²	65	63.3 Å²	63.3	35%	0.348	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-31.6	-179.5	-70.5	-31.3	0	0	0	112.3	I321 Q322 Y323 R362	I321-D325 PolarHBondContact O-N 2.81Å; Q322-D325 PolarHBondContact O-N 3.07Å; Y323-D325 PolarHBondContact O-N 2.93Å; D325-R362 IonicContact OD1-CZ 3.8Å; D325-R362 IonicContact OD1-NE 2.7Å; D325-R362 IonicContact OD1-NH2 2.79Å; D325-R362 PolarHBondContact OD1-NH2 2.94Å; D325-R362 IonicContact OD2-NE 3.62Å
326	Q	94.9	Very high	93.5	Very high	117 Å²	117	66.5 Å²	66.5	55%	0.547	33%	0.333	S	S	.	.	H	α-helix	trans	-80.3	-34.2	178.8	-70.3	172.6	0.2	0	0	113.5	Q322 Y323 Y324	Q322-Q326 VanDerWaalsContact O-CG 3.28Å; Q322-Q326 WeakPolarHBondContact O-CG 3.35Å; Q322-Q326 PolarHBondContact O-N 3Å; Q322-Q326 VanDerWaalsContact O-N 3.16Å; Y323-Q326 PolarHBondContact O-N 2.77Å; Y324-Q326 PolarHBondContact O-N 3.15Å
327	H	96.8	Very high	94.1	Very high	105 Å²	105	66 Å²	66	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-112.2	-28.6	-167.4	-66.7	-74.5	0	0	0	114.8	Y323 Y324	Y323-H327 HydrophobicContact CD1-CB 4.29Å; Y323-H327 AromaticContact CD1-CD2 3.83Å; Y323-H327 AromaticContact CD2-CD2 3.36Å; Y323-H327 WeakPolarHBondContact CD2-CD2 3.33Å; Y323-H327 AromaticContact CD2-NE2 3.69Å; Y323-H327 HydrophobicContact CE1-CB 3.91Å; Y323-H327 AromaticContact CE1-CD2 3.74Å; Y323-H327 AromaticContact CE1-CG 3.96Å; Y323-H327 AromaticContact CE2-CD2 3.25Å; Y323-H327 WeakPolarHBondContact CE2-CD2 3.49Å; Y323-H327 AromaticContact CE2-NE2 3.42Å; Y323-H327 WeakPolarHBondContact CE2-NE2 3.44Å; Y323-H327 AromaticContact CG-CD2 3.65Å; Y323-H327 AromaticContact CZ-CD2 3.44Å; Y323-H327 VanDerWaalsContact CZ-CD2 3.44Å; Y323-H327 AromaticContact CZ-CG 3.77Å; Y323-H327 AromaticContact CZ-NE2 3.94Å; Y323-H327 WeakPolarHBondContact O-CB 3.23Å; Y323-H327 PolarHBondContact O-CD2 3.39Å; Y323-H327 PolarHBondContact O-N 3.04Å; Y324-H327 PolarHBondContact O-N 2.85Å
328	F	96.1	Very high	94.5	Very high	36 Å²	36	69.6 Å²	69.6	16%	0.158	35%	0.346	C	S	.	.			trans	-103.7	68.4	178.3	-54.8	-72	0	0	0	110.5	W296 L300 Y323 Y324 V333 K334 V337	W296-F328 HydrophobicContact CB-CE2 4.21Å; W296-F328 HydrophobicContact CB-CZ 4.03Å; W296-F328 AromaticContact CD2-CE2 3.96Å; W296-F328 HydrophobicContact CD2-CE2 3.96Å; W296-F328 HydrophobicContact CD2-CZ 4.47Å; W296-F328 AromaticContact CG-CE2 3.81Å; W296-F328 HydrophobicContact CG-CE2 3.81Å; W296-F328 HydrophobicContact CG-CZ 4.13Å; L300-F328 HydrophobicContact CD1-CE1 4.2Å; L300-F328 HydrophobicContact CD1-CZ 4.06Å; Y323-F328 HydrophobicContact CD1-CE2 4.16Å; Y323-F328 HydrophobicContact CE1-CE2 4.15Å; Y323-F328 HydrophobicContact CE1-CZ 4.4Å; Y324-F328 HydrophobicContact CD2-CB 3.94Å; Y324-F328 AromaticContact CD2-CD2 3.3Å; Y324-F328 HydrophobicContact CD2-CD2 3.3Å; Y324-F328 HydrophobicContact CD2-CE2 4.11Å; Y324-F328 AromaticContact CD2-CG 3.96Å; Y324-F328 HydrophobicContact CD2-CG 3.96Å; Y324-F328 HydrophobicContact CE2-CB 3.89Å; Y324-F328 HydrophobicContact CE2-CD2 4.02Å; Y324-F328 HydrophobicContact CE2-CG 4.23Å; Y324-F328 HydrophobicContact CG-CB 4.46Å; Y324-F328 AromaticContact CG-CD2 3.87Å; Y324-F328 HydrophobicContact CG-CD2 3.87Å; Y324-F328 PolarHBondContact O-N 3.37Å; F328-V333 HydrophobicContact CB-CG1 4.13Å; F328-V333 HydrophobicContact CD1-CG1 3.52Å; F328-V333 HydrophobicContact CE1-CG1 4.43Å; F328-V333 HydrophobicContact CG-CG1 4.24Å; F328-K334 WeakPolarHBondContact O-CE 3.43Å; F328-K334 VanDerWaalsContact O-CG 3.29Å; F328-K334 WeakPolarHBondContact O-CG 3.36Å; F328-V337 HydrophobicContact CD1-CG2 4.33Å; F328-V337 HydrophobicContact CG-CG2 4.42Å
329	T	93.5	Very high	95.2	Very high	87 Å²	87	69.9 Å²	69.9	53%	0.534	35%	0.35	S	S	.	.			trans	-84.9	-28.8	-172.4	55.9	0	0	0	0	113.9
330	Q	96.3	Very high	95.9	Very high	107 Å²	107	65 Å²	65	50%	0.5	33%	0.33	S	S	.	.	S	Bend	trans	-76.6	133.1	-174.7	-58.6	-177.2	34.5	0	0	111.7	H332 V333 K334	Q330-H332 PolarHBondContact O-N 3.44Å; Q330-H332 PolarHBondContact OE1-CE1 3.19Å; Q330-V333 HydrophobicContact CB-CB 4.41Å; Q330-V333 HydrophobicContact CB-CG2 3.96Å; Q330-V333 WeakPolarHBondContact O-CB 3.26Å; Q330-V333 PolarHBondContact O-N 3.14Å; Q330-K334 PolarHBondContact O-N 3Å; Q330-K334 VanDerWaalsContact O-N 3.16Å
331	P	95.4	Very high	96	Very high	98 Å²	98	65 Å²	65	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-53.1	-46.9	-175.2	-29.5	35.2	0	0	0	114.7	V333 K334 D335	P331-V333 PolarHBondContact O-N 2.9Å; P331-K334 WeakPolarHBondContact O-CB 3.38Å; P331-K334 PolarHBondContact O-N 3.09Å; P331-K334 VanDerWaalsContact O-N 3.09Å; P331-D335 PolarHBondContact O-N 2.68Å
332	H	95.4	Very high	96.1	Very high	123 Å²	123	70.4 Å²	70.4	57%	0.569	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-29.2	-179.6	70.4	-96.7	0	0	0	113.1	Q330 F336	Q330-H332 PolarHBondContact O-N 3.44Å; Q330-H332 PolarHBondContact OE1-CE1 3.19Å; H332-F336 WeakPolarHBondContact O-CB 3.12Å; H332-F336 PolarHBondContact O-N 3.06Å
333	V	95.8	Very high	96.5	Very high	36 Å²	36	73.1 Å²	73.1	22%	0.218	37%	0.365	C	S	.	.	H	α-helix	trans	-73.3	-39.5	176.1	-177.7	0	0	0	0	110.3	F328 Q330 P331 F336 V337	F328-V333 HydrophobicContact CB-CG1 4.13Å; F328-V333 HydrophobicContact CD1-CG1 3.52Å; F328-V333 HydrophobicContact CE1-CG1 4.43Å; F328-V333 HydrophobicContact CG-CG1 4.24Å; Q330-V333 HydrophobicContact CB-CB 4.41Å; Q330-V333 HydrophobicContact CB-CG2 3.96Å; Q330-V333 WeakPolarHBondContact O-CB 3.26Å; Q330-V333 PolarHBondContact O-N 3.14Å; P331-V333 PolarHBondContact O-N 2.9Å; V333-F336 WeakPolarHBondContact O-CB 3.49Å; V333-F336 PolarHBondContact O-N 2.62Å; V333-V337 WeakPolarHBondContact O-CG2 3.48Å; V333-V337 PolarHBondContact O-N 2.87Å
334	K	97.4	Very high	96.5	Very high	71 Å²	71	73.1 Å²	73.1	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-44.6	174.1	-63.1	-172.1	175.7	175.8	0	111.5	Y324 F328 Q330 P331 F336 V337 K338	Y324-K334 HydrophobicContact CE1-CG 4.48Å; Y324-K334 WeakPolarHBondContact OH-CA 3.47Å; Y324-K334 WeakPolarHBondContact OH-CB 3.31Å; Y324-K334 WeakPolarHBondContact OH-CG 3.32Å; F328-K334 WeakPolarHBondContact O-CE 3.43Å; F328-K334 VanDerWaalsContact O-CG 3.29Å; F328-K334 WeakPolarHBondContact O-CG 3.36Å; Q330-K334 PolarHBondContact O-N 3Å; Q330-K334 VanDerWaalsContact O-N 3.16Å; P331-K334 WeakPolarHBondContact O-CB 3.38Å; P331-K334 PolarHBondContact O-N 3.09Å; P331-K334 VanDerWaalsContact O-N 3.09Å; K334-F336 VanDerWaalsContact C-N 3.34Å; K334-F336 PolarHBondContact O-N 3.21Å; K334-V337 PolarHBondContact O-N 2.95Å; K334-K338 PolarHBondContact O-N 2.96Å
335	D	97.2	Very high	96.5	Very high	109 Å²	109	72.9 Å²	72.9	58%	0.583	36%	0.364	S	S	*	.	H	α-helix	trans	-62.6	-42.2	176.1	-67.3	-27.1	0	0	0	111.6	P331 K338 A339	P331-D335 PolarHBondContact O-N 2.68Å; D335-K338 PolarHBondContact O-N 3.48Å; D335-A339 VanDerWaalsContact O-CB 3.32Å; D335-A339 WeakPolarHBondContact O-CB 3.38Å; D335-A339 PolarHBondContact O-N 3.22Å
336	F	97.6	Very high	96.7	Very high	96 Å²	96	73.6 Å²	73.6	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-49.6	174.4	172.1	-97.7	0	0	0	112.1	F302 H332 V333 K334 K338 A339 V340	F302-F336 HydrophobicContact CE2-CE2 4.37Å; F302-F336 AromaticContact CE2-CZ 3.97Å; F302-F336 HydrophobicContact CE2-CZ 3.97Å; H332-F336 WeakPolarHBondContact O-CB 3.12Å; H332-F336 PolarHBondContact O-N 3.06Å; V333-F336 WeakPolarHBondContact O-CB 3.49Å; V333-F336 PolarHBondContact O-N 2.62Å; K334-F336 VanDerWaalsContact C-N 3.34Å; K334-F336 PolarHBondContact O-N 3.21Å; F336-K338 VanDerWaalsContact C-N 3.31Å; F336-K338 PolarHBondContact O-N 3.39Å; F336-A339 PolarHBondContact O-N 3.24Å; F336-V340 HydrophobicContact CD1-CG2 4.25Å; F336-V340 HydrophobicContact CD2-CG2 3.87Å; F336-V340 HydrophobicContact CE1-CG2 3.97Å; F336-V340 HydrophobicContact CE2-CG2 3.55Å; F336-V340 HydrophobicContact CG-CG2 4.23Å; F336-V340 HydrophobicContact CZ-CG2 3.63Å; F336-V340 WeakPolarHBondContact O-CB 3.34Å; F336-V340 WeakPolarHBondContact O-CG2 3.44Å; F336-V340 PolarHBondContact O-N 2.84Å
337	V	98.1	Very high	96.9	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-55.5	-49.2	177.8	168.9	0	0	0	0	110.6	W296 L300 Y324 F328 V333 K334 V340 C341 I366	W296-V337 HydrophobicContact CE3-CG1 4.38Å; W296-V337 HydrophobicContact CH2-CG1 3.99Å; W296-V337 HydrophobicContact CZ3-CG1 3.58Å; L300-V337 HydrophobicContact CD1-CG2 3.84Å; L300-V337 HydrophobicContact CD2-CB 4.36Å; L300-V337 HydrophobicContact CD2-CG1 4.3Å; L300-V337 HydrophobicContact CD2-CG2 4.12Å; Y324-V337 HydrophobicContact CD2-CG1 4.25Å; Y324-V337 HydrophobicContact CE2-CB 4.04Å; Y324-V337 HydrophobicContact CE2-CG1 3.81Å; Y324-V337 HydrophobicContact CE2-CG2 4.14Å; F328-V337 HydrophobicContact CD1-CG2 4.33Å; F328-V337 HydrophobicContact CG-CG2 4.42Å; V333-V337 WeakPolarHBondContact O-CG2 3.48Å; V333-V337 PolarHBondContact O-N 2.87Å; K334-V337 PolarHBondContact O-N 2.95Å; V337-V340 PolarHBondContact O-N 2.82Å; V337-C341 WeakPolarHBondContact O-CB 3.36Å; V337-C341 PolarHBondContact O-N 3.38Å; V337-C341 PolarHBondContact O-SG 3.21Å; V337-C341 VanDerWaalsContact O-SG 3.39Å; V337-I366 HydrophobicContact CG1-CG2 4.27Å
338	K	98.4	Very high	96.9	Very high	77 Å²	77	63 Å²	63	34%	0.335	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-47	179.6	-170.6	168.4	-171.6	155.5	0	112	K334 D335 F336 C341 K342 E365 I366	K334-K338 PolarHBondContact O-N 2.96Å; D335-K338 PolarHBondContact O-N 3.48Å; F336-K338 VanDerWaalsContact C-N 3.31Å; F336-K338 PolarHBondContact O-N 3.39Å; K338-C341 PolarHBondContact O-N 3.24Å; K338-K342 HydrophobicContact CG-CD 4.25Å; K338-K342 WeakPolarHBondContact O-CB 3.28Å; K338-K342 VanDerWaalsContact O-CG 3.31Å; K338-K342 WeakPolarHBondContact O-CG 3.35Å; K338-K342 PolarHBondContact O-N 2.81Å; K338-E365 WeakPolarHBondContact CD-O 3.41Å; K338-E365 WeakPolarHBondContact CE-O 3.29Å; K338-E365 PolarHBondContact NZ-O 3.28Å; K338-I366 WeakPolarHBondContact CA-O 3.48Å; K338-I366 WeakPolarHBondContact CB-O 3.36Å
339	A	97.9	Very high	97	Very high	54 Å²	54	61.3 Å²	61.3	45%	0.446	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-49	179.4	0	0	0	0	0	111.6	D335 F336 C341 K342 E343	D335-A339 VanDerWaalsContact O-CB 3.32Å; D335-A339 WeakPolarHBondContact O-CB 3.38Å; D335-A339 PolarHBondContact O-N 3.22Å; F336-A339 PolarHBondContact O-N 3.24Å; A339-C341 PolarHBondContact O-N 3.01Å; A339-K342 PolarHBondContact O-N 2.89Å; A339-E343 WeakPolarHBondContact O-CB 3.07Å; A339-E343 PolarHBondContact O-N 3.46Å
340	V	97.4	Very high	97	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-44.8	179.5	170.7	0	0	0	0	111.7	L300 F302 F336 V337 R344	L300-V340 HydrophobicContact CD2-CB 4.09Å; L300-V340 HydrophobicContact CD2-CG1 3.78Å; F302-V340 HydrophobicContact CE2-CG2 4.45Å; F302-V340 HydrophobicContact CZ-CG2 4.06Å; F336-V340 HydrophobicContact CD1-CG2 4.25Å; F336-V340 HydrophobicContact CD2-CG2 3.87Å; F336-V340 HydrophobicContact CE1-CG2 3.97Å; F336-V340 HydrophobicContact CE2-CG2 3.55Å; F336-V340 HydrophobicContact CG-CG2 4.23Å; F336-V340 HydrophobicContact CZ-CG2 3.63Å; F336-V340 WeakPolarHBondContact O-CB 3.34Å; F336-V340 WeakPolarHBondContact O-CG2 3.44Å; F336-V340 PolarHBondContact O-N 2.84Å; V337-V340 PolarHBondContact O-N 2.82Å; V340-R344 VanDerWaalsContact CG1-CZ 3.47Å; V340-R344 WeakPolarHBondContact O-CB 3.48Å; V340-R344 PolarHBondContact O-N 2.92Å; V340-R344 VanDerWaalsContact O-N 3.1Å
341	C	98.1	Very high	96.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-44.9	177.3	-73.3	0	0	0	0	112.1	V337 K338 A339 E343 I345 M348 T367 H369	V337-C341 WeakPolarHBondContact O-CB 3.36Å; V337-C341 PolarHBondContact O-N 3.38Å; V337-C341 PolarHBondContact O-SG 3.21Å; V337-C341 VanDerWaalsContact O-SG 3.39Å; K338-C341 PolarHBondContact O-N 3.24Å; A339-C341 PolarHBondContact O-N 3.01Å; C341-E343 VanDerWaalsContact C-N 3.35Å; C341-E343 PolarHBondContact O-N 3.05Å; C341-I345 WeakPolarHBondContact O-CB 3.23Å; C341-I345 PolarHBondContact O-N 3.18Å; C341-M348 HydrophobicContact CB-CE 4.49Å; C341-T367 HydrophobicContact CB-CG2 4.41Å; C341-T367 WeakPolarHBondContact CB-O 3.21Å; C341-H369 PolarHBondContact O-NE2 3Å
342	K	96.9	Very high	95.8	Very high	132 Å²	132	48.8 Å²	48.8	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-64.1	-37.9	179.4	-73.8	-173.9	78.6	178.7	0	113.1	K338 A339 T367	K338-K342 HydrophobicContact CG-CD 4.25Å; K338-K342 WeakPolarHBondContact O-CB 3.28Å; K338-K342 VanDerWaalsContact O-CG 3.31Å; K338-K342 WeakPolarHBondContact O-CG 3.35Å; K338-K342 PolarHBondContact O-N 2.81Å; A339-K342 PolarHBondContact O-N 2.89Å; K342-T367 WeakPolarHBondContact CG-O 3.39Å
343	E	96.3	Very high	94.8	Very high	165 Å²	165	44.7 Å²	44.7	77%	0.771	22%	0.223	S	C	*	.	H	α-helix	trans	-77.5	-38.6	-176.5	-174.4	175.3	-179.4	0	0	112.3	A339 C341	A339-E343 WeakPolarHBondContact O-CB 3.07Å; A339-E343 PolarHBondContact O-N 3.46Å; C341-E343 VanDerWaalsContact C-N 3.35Å; C341-E343 PolarHBondContact O-N 3.05Å
344	R	95.6	Very high	93.9	Very high	42 Å²	42	45 Å²	45	16%	0.158	23%	0.229	C	C	.	.	H	α-helix	trans	-110.6	-29.2	-166	-56.5	-169.6	-53.2	169.9	9.6	115.3	L299 L300 S301 N308 V340	L299-R344 PolarHBondContact O-NH2 2.93Å; L300-R344 PolarHBondContact O-NH2 3.04Å; S301-R344 VanDerWaalsContact O-CZ 3.24Å; S301-R344 PolarHBondContact O-NH1 3.32Å; S301-R344 PolarHBondContact O-NH2 3.3Å; N308-R344 WeakPolarHBondContact CA-O 3.12Å; N308-R344 WeakPolarHBondContact CB-O 3.46Å; V340-R344 VanDerWaalsContact CG1-CZ 3.47Å; V340-R344 WeakPolarHBondContact O-CB 3.48Å; V340-R344 PolarHBondContact O-N 2.92Å; V340-R344 VanDerWaalsContact O-N 3.1Å
345	I	97.9	Very high	92.9	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	22%	0.215	C	C	.	.			trans	-87.6	120.1	178.1	-49.8	-57.9	0	0	0	107.7	L299 V307 N308 C341 M348 H369	L299-I345 HydrophobicContact CD2-CD1 3.96Å; V307-I345 HydrophobicContact CG1-CD1 4.39Å; V307-I345 WeakPolarHBondContact O-CD1 3.37Å; N308-I345 CarbonylContact O-C 3.47Å; N308-I345 WeakPolarHBondContact O-CA 3.29Å; N308-I345 WeakPolarHBondContact O-CG2 3.4Å; C341-I345 WeakPolarHBondContact O-CB 3.23Å; C341-I345 PolarHBondContact O-N 3.18Å; I345-M348 HydrophobicContact CB-CE 3.86Å; I345-M348 HydrophobicContact CG1-CE 3.74Å; I345-M348 HydrophobicContact CG2-CE 3.58Å; I345-M348 HydrophobicContact CG2-CG 3.65Å; I345-M348 HydrophobicContact CG2-SD 4.44Å; I345-H369 PolarHBondContact O-CE1 2.82Å; I345-H369 PolarHBondContact O-NE2 2.83Å
346	R	97.6	Very high	92	Very high	81 Å²	81	37.5 Å²	37.5	31%	0.306	19%	0.193	S	C	.	.			trans	-86.7	-27	177.8	79.2	167.5	-175.2	87	-0.5	113	W250 A251 D256 N308 V309	W250-R346 PolarHBondContact O-NH1 3.07Å; W250-R346 PolarHBondContact O-NH2 2.95Å; A251-R346 PolarHBondContact O-NH2 3.15Å; A251-R346 VanDerWaalsContact O-NH2 3.14Å; D256-R346 VanDerWaalsContact CG-NH2 3.34Å; D256-R346 IonicContact OD1-CZ 3.18Å; D256-R346 IonicContact OD1-NE 2.75Å; D256-R346 PolarHBondContact OD1-NE 3.07Å; D256-R346 IonicContact OD1-NH2 2.76Å; D256-R346 PolarHBondContact OD1-NH2 3.28Å; D256-R346 IonicContact OD2-CZ 2.93Å; D256-R346 IonicContact OD2-NE 2.84Å; D256-R346 IonicContact OD2-NH2 3.97Å; D256-R346 PolarHBondContact OD2-NH2 3.09Å; N308-R346 PolarHBondContact O-N 3.28Å; V309-R346 HydrophobicContact CG2-CG 4.1Å
347	L	98.4	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	126.4	-171.2	179.2	58.4	0	0	0	111.9	W250 V309 F310 M311 V349 L372 L388	W250-L347 HydrophobicContact CB-CD2 3.91Å; W250-L347 HydrophobicContact CG-CD2 4.32Å; V309-L347 HydrophobicContact CG1-CB 4.47Å; F310-L347 PolarHBondContact N-O 2.74Å; M311-L347 HydrophobicContact CE-CD2 3.99Å; L347-V349 HydrophobicContact CD1-CG2 3.77Å; L347-V349 HydrophobicContact CD2-CG2 3.98Å; L347-V349 HydrophobicContact CG-CG2 3.75Å; L347-L372 HydrophobicContact CD1-CB 4.28Å; L347-L372 HydrophobicContact CD1-CD1 4.02Å; L347-L388 HydrophobicContact CD1-CD1 3.78Å; L347-L388 HydrophobicContact CD2-CD1 4.21Å; L347-L388 HydrophobicContact CG-CD1 4.44Å
348	M	98.4	Very high	90.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.2	166.7	-61.4	-167.9	-175.4	0	0	111.4	F310 C341 I345 W363 H369 L371 L372	F310-M348 HydrophobicContact CB-CG 4.4Å; F310-M348 CarbonylContact O-C 3.58Å; F310-M348 WeakPolarHBondContact O-CA 3.24Å; C341-M348 HydrophobicContact CB-CE 4.49Å; I345-M348 HydrophobicContact CB-CE 3.86Å; I345-M348 HydrophobicContact CG1-CE 3.74Å; I345-M348 HydrophobicContact CG2-CE 3.58Å; I345-M348 HydrophobicContact CG2-CG 3.65Å; I345-M348 HydrophobicContact CG2-SD 4.44Å; M348-W363 HydrophobicContact CE-CZ2 4.23Å; M348-W363 HydrophobicContact SD-CZ2 3.65Å; M348-W363 PolarHBondContact SD-NE1 2.61Å; M348-H369 HydrophobicContact CG-CB 4.44Å; M348-H369 HydrophobicContact SD-CB 4.11Å; M348-L371 HydrophobicContact CB-CD2 3.58Å; M348-L372 PolarHBondContact O-N 3.25Å
349	V	98	Very high	89.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.3	-173.9	-179.6	0	0	0	0	111.2	W250 F310 M311 A312 Y317 L347 L372 R374	W250-V349 HydrophobicContact CH2-CG1 3.91Å; W250-V349 HydrophobicContact CZ2-CG1 4.17Å; W250-V349 HydrophobicContact CZ3-CG1 4.44Å; F310-V349 PolarHBondContact O-N 3.2Å; M311-V349 CarbonylContact C-O 3.33Å; M311-V349 WeakPolarHBondContact CA-O 3.4Å; M311-V349 HydrophobicContact CB-CB 4.04Å; M311-V349 HydrophobicContact CE-CG2 3.87Å; M311-V349 HydrophobicContact CG-CB 3.74Å; M311-V349 HydrophobicContact CG-CG2 3.95Å; M311-V349 HydrophobicContact SD-CB 4.13Å; M311-V349 HydrophobicContact SD-CG2 4.06Å; A312-V349 PolarHBondContact N-O 2.61Å; Y317-V349 PolarHBondContact OH-N 2.65Å; Y317-V349 PolarHBondContact OH-O 3.02Å; L347-V349 HydrophobicContact CD1-CG2 3.77Å; L347-V349 HydrophobicContact CD2-CG2 3.98Å; L347-V349 HydrophobicContact CG-CG2 3.75Å; V349-L372 CarbonylContact C-O 3.52Å; V349-L372 WeakPolarHBondContact CA-O 3.43Å; V349-L372 HydrophobicContact CG1-CD2 4.06Å; V349-L372 WeakPolarHBondContact CG1-O 3.23Å; V349-L372 HydrophobicContact CG2-CB 4.28Å; V349-L372 HydrophobicContact CG2-CD2 4.28Å; V349-R374 VanDerWaalsContact CG1-CD 3.49Å; V349-R374 HydrophobicContact CG1-CG 4.34Å
350	S	92.1	Very high	88.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.1	171.6	-174	0	0	0	0	111.9	A312 L372 E373 R374	A312-S350 WeakPolarHBondContact O-CA 2.96Å; S350-L372 PolarHBondContact N-O 3.37Å; S350-E373 WeakPolarHBondContact O-CA 3.48Å; S350-R374 WeakPolarHBondContact O-CD 3.49Å; S350-R374 PolarHBondContact O-N 3Å; S350-R374 PolarHBondContact O-NE 2.85Å
351	G	86.7	Confident	88.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-146.1	155	0	0	0	0	0	113.7	A312 V313 P314 A353 R374	A312-G351 PolarHBondContact O-N 2.79Å; V313-G351 WeakPolarHBondContact CA-O 3.33Å; V313-G351 WeakPolarHBondContact CG1-O 3.5Å; P314-G351 WeakPolarHBondContact CD-O 3.48Å; G351-A353 PolarHBondContact O-N 2.89Å; G351-A353 VanDerWaalsContact O-N 3.11Å; G351-R374 VanDerWaalsContact C-CZ 3.44Å; G351-R374 VanDerWaalsContact CA-NH1 3.3Å
352	S	79.9	Confident	88.1	Confident	29 Å²	29	41 Å²	41	20%	0.203	21%	0.206	C	C	.	.	S	Bend	trans	70.1	-17.5	-165	-55.6	0	0	0	0	113.4	H268 R374 K577	H268-S352 PolarHBondContact ND1-OG 2.86Å; S352-R374 VanDerWaalsContact N-CZ 3.3Å; S352-R374 PolarHBondContact OG-NH2 2.88Å; S352-K577 WeakPolarHBondContact O-CE 3.25Å; S352-K577 PolarHBondContact O-NZ 3.05Å
353	A	75.7	Confident	88.1	Confident	37 Å²	37	34.8 Å²	34.8	31%	0.306	18%	0.179	S	C	.	.	S	Bend	trans	-139.7	163.7	165.7	0	0	0	0	0	108.7	P314 G351 L355	P314-A353 HydrophobicContact CG-CB 4.21Å; G351-A353 PolarHBondContact O-N 2.89Å; G351-A353 VanDerWaalsContact O-N 3.11Å; A353-L355 PolarHBondContact O-N 2.8Å
354	A	75.6	Confident	88.1	Confident	41 Å²	41	30.7 Å²	30.7	34%	0.339	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-59.5	132.8	174.4	0	0	0	0	0	110.2	P314 P356 L501	P314-A354 WeakPolarHBondContact CG-O 3.33Å; A354-P356 WeakPolarHBondContact O-CD 3.23Å; A354-L501 HydrophobicContact CB-CD1 4.31Å; A354-L501 HydrophobicContact CB-CD2 4.39Å
355	L	77.8	Confident	88.2	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-84.4	121	177	179.3	58.9	0	0	0	110.6	P314 A353 T359 L360 L371 E373	P314-L355 HydrophobicContact CB-CD1 4.18Å; P314-L355 HydrophobicContact CG-CB 4.41Å; P314-L355 HydrophobicContact CG-CD1 4.26Å; A353-L355 PolarHBondContact O-N 2.8Å; L355-T359 HydrophobicContact CD1-CG2 4.01Å; L355-L360 HydrophobicContact CD2-CB 3.98Å; L355-L360 HydrophobicContact CD2-CD1 3.89Å; L355-L360 HydrophobicContact CD2-CG 4.36Å; L355-L360 HydrophobicContact CG-CB 4.21Å; L355-L371 HydrophobicContact CD1-CD1 4.16Å; L355-L371 HydrophobicContact CD2-CB 4.1Å; L355-L371 HydrophobicContact CD2-CD1 4.11Å; L355-E373 HydrophobicContact CB-CG 4.31Å; L355-E373 WeakPolarHBondContact CB-OE1 3.48Å; L355-E373 HydrophobicContact CD2-CB 4.38Å; L355-E373 PolarHBondContact N-OE1 2.78Å
356	P	77.8	Confident	88.2	Confident	20 Å²	20	33.5 Å²	33.5	13%	0.13	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-66.2	135.4	173	-24.1	36.5	0	0	0	111.9	A354 T359 L360 L508	A354-P356 WeakPolarHBondContact O-CD 3.23Å; P356-T359 WeakPolarHBondContact O-CB 3.27Å; P356-T359 PolarHBondContact O-N 2.77Å; P356-T359 VanDerWaalsContact O-N 3.07Å; P356-L360 PolarHBondContact O-N 2.82Å; P356-L508 HydrophobicContact CB-CD1 3.61Å; P356-L508 HydrophobicContact CG-CD1 3.61Å
357	L	77.7	Confident	88.2	Confident	72 Å²	72	29.7 Å²	29.7	38%	0.377	16%	0.16	S	C	.	.	H	α-helix	trans	-55.8	-43.3	176.5	179.1	65.9	0	0	0	112.8	T359 L360 Q361 A394	L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 3.07Å; L357-L360 HydrophobicContact CD1-CD2 4.42Å; L357-L360 WeakPolarHBondContact O-CB 3.36Å; L357-L360 PolarHBondContact O-N 3.3Å; L357-Q361 HydrophobicContact CD1-CG 4.03Å; L357-Q361 HydrophobicContact CG-CG 4.32Å; L357-Q361 WeakPolarHBondContact O-CG 3.48Å; L357-Q361 PolarHBondContact O-N 3.28Å; L357-A394 HydrophobicContact CD1-CB 3.53Å
358	P	77.4	Confident	88.1	Confident	39 Å²	39	30.9 Å²	30.9	25%	0.253	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-36.9	176.1	-24.5	35.2	0	0	0	112.9	R362 L508 A509	P358-R362 WeakPolarHBondContact O-CB 3.43Å; P358-R362 PolarHBondContact O-N 3.29Å; P358-L508 HydrophobicContact CG-CB 4.39Å; P358-A509 HydrophobicContact CG-CB 4.47Å
359	T	81.5	Confident	88	Confident	16 Å²	16	32 Å²	32	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-43.2	176.3	-63.6	0	0	0	0	111.1	S318 I321 L355 P356 L357 W363	S318-T359 PolarHBondContact OG-OG1 2.53Å; I321-T359 HydrophobicContact CD1-CG2 3.94Å; L355-T359 HydrophobicContact CD1-CG2 4.01Å; P356-T359 WeakPolarHBondContact O-CB 3.27Å; P356-T359 PolarHBondContact O-N 2.77Å; P356-T359 VanDerWaalsContact O-N 3.07Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 3.07Å; T359-W363 VanDerWaalsContact O-CB 3.23Å; T359-W363 WeakPolarHBondContact O-CB 3.45Å; T359-W363 PolarHBondContact O-N 3.19Å
360	L	86.9	Confident	87.9	Confident	7 Å²	7	34.7 Å²	34.7	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-52.2	176.5	174.9	67.1	0	0	0	111.7	L355 P356 L357 W363 E364 M370 L371 A394	L355-L360 HydrophobicContact CD2-CB 3.98Å; L355-L360 HydrophobicContact CD2-CD1 3.89Å; L355-L360 HydrophobicContact CD2-CG 4.36Å; L355-L360 HydrophobicContact CG-CB 4.21Å; P356-L360 PolarHBondContact O-N 2.82Å; L357-L360 HydrophobicContact CD1-CD2 4.42Å; L357-L360 WeakPolarHBondContact O-CB 3.36Å; L357-L360 PolarHBondContact O-N 3.3Å; L360-W363 PolarHBondContact O-N 2.64Å; L360-E364 PolarHBondContact O-N 2.84Å; L360-M370 HydrophobicContact CD1-CG 4.15Å; L360-M370 HydrophobicContact CD2-CE 4.41Å; L360-L371 HydrophobicContact CD1-CB 3.64Å; L360-L371 HydrophobicContact CD1-CD1 4.47Å; L360-L371 HydrophobicContact CD1-CG 4.17Å; L360-L371 VanDerWaalsContact CD1-N 3.29Å; L360-A394 HydrophobicContact CD2-CB 3.42Å; L360-A394 VanDerWaalsContact CD2-CB 3.42Å
361	Q	89.4	Confident	88.1	Confident	96 Å²	96	34.9 Å²	34.9	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-62.3	-48	-178.6	-71.8	172.2	-28.5	0	0	111.1	L357 W363 E364 E365	L357-Q361 HydrophobicContact CD1-CG 4.03Å; L357-Q361 HydrophobicContact CG-CG 4.32Å; L357-Q361 WeakPolarHBondContact O-CG 3.48Å; L357-Q361 PolarHBondContact O-N 3.28Å; Q361-W363 VanDerWaalsContact C-N 3.29Å; Q361-W363 PolarHBondContact O-N 3.36Å; Q361-E364 PolarHBondContact O-N 3.3Å; Q361-E365 WeakPolarHBondContact O-CG 3.41Å; Q361-E365 PolarHBondContact O-N 3.11Å
362	R	92.1	Very high	88.7	Confident	78 Å²	78	34.9 Å²	34.9	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-37.2	179.7	-175.3	54.7	176.8	171.9	0.3	112.1	I321 D325 P358 E365 I366	I321-R362 HydrophobicContact CD1-CB 4.08Å; I321-R362 HydrophobicContact CD1-CG 4.05Å; I321-R362 HydrophobicContact CG1-CG 4.26Å; I321-R362 HydrophobicContact CG2-CG 3.52Å; D325-R362 IonicContact OD1-CZ 3.8Å; D325-R362 IonicContact OD1-NE 2.7Å; D325-R362 IonicContact OD1-NH2 2.79Å; D325-R362 PolarHBondContact OD1-NH2 2.94Å; D325-R362 IonicContact OD2-NE 3.62Å; P358-R362 WeakPolarHBondContact O-CB 3.43Å; P358-R362 PolarHBondContact O-N 3.29Å; R362-E365 VanDerWaalsContact CD-OE2 3.29Å; R362-E365 WeakPolarHBondContact CD-OE2 3.38Å; R362-E365 IonicContact CZ-OE2 3.3Å; R362-E365 IonicContact NH1-OE2 2.75Å; R362-E365 PolarHBondContact NH1-OE2 3.15Å; R362-E365 PolarHBondContact O-N 3.07Å; R362-I366 HydrophobicContact CG-CD1 3.91Å; R362-I366 WeakPolarHBondContact O-CD1 3.39Å; R362-I366 WeakPolarHBondContact O-CG1 3.33Å; R362-I366 PolarHBondContact O-N 3.39Å; R362-I366 VanDerWaalsContact O-N 3.09Å
363	W	96.7	Very high	89.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-41.1	175.6	-168.8	-98	0	0	0	112.5	W296 Y317 L320 I321 M348 T359 L360 Q361 I366 T367 L371	W296-W363 AromaticContact CH2-CH2 3.87Å; W296-W363 HydrophobicContact CH2-CH2 3.87Å; W296-W363 HydrophobicContact CH2-CZ3 4.13Å; W296-W363 AromaticContact CZ2-CH2 3.88Å; W296-W363 HydrophobicContact CZ2-CH2 3.88Å; W296-W363 AromaticContact CZ2-CZ3 3.84Å; W296-W363 HydrophobicContact CZ2-CZ3 3.84Å; Y317-W363 AromaticContact CD1-CD2 3.66Å; Y317-W363 HydrophobicContact CD1-CD2 3.66Å; Y317-W363 AromaticContact CD1-CE2 3.62Å; Y317-W363 AromaticContact CD1-CE3 3.9Å; Y317-W363 HydrophobicContact CD1-CE3 3.9Å; Y317-W363 HydrophobicContact CD1-CG 4.24Å; Y317-W363 HydrophobicContact CD1-CH2 4.06Å; Y317-W363 AromaticContact CD1-CZ2 3.82Å; Y317-W363 HydrophobicContact CD1-CZ2 3.82Å; Y317-W363 HydrophobicContact CD1-CZ3 4.1Å; Y317-W363 HydrophobicContact CE1-CD2 4.19Å; Y317-W363 AromaticContact CE1-CE2 3.69Å; Y317-W363 HydrophobicContact CE1-CH2 4.41Å; Y317-W363 AromaticContact CE1-CZ2 3.8Å; Y317-W363 HydrophobicContact CE1-CZ2 3.8Å; Y317-W363 AromaticContact CE1-NE1 3.95Å; L320-W363 HydrophobicContact CB-CH2 3.98Å; L320-W363 HydrophobicContact CB-CZ3 3.61Å; L320-W363 HydrophobicContact CD1-CH2 3.82Å; L320-W363 HydrophobicContact CD1-CZ3 4.23Å; I321-W363 HydrophobicContact CD1-CB 4.44Å; I321-W363 HydrophobicContact CD1-CE3 4.23Å; I321-W363 HydrophobicContact CG1-CE3 3.74Å; I321-W363 HydrophobicContact CG1-CZ3 4.26Å; M348-W363 HydrophobicContact CE-CZ2 4.23Å; M348-W363 HydrophobicContact SD-CZ2 3.65Å; M348-W363 PolarHBondContact SD-NE1 2.61Å; T359-W363 VanDerWaalsContact O-CB 3.23Å; T359-W363 WeakPolarHBondContact O-CB 3.45Å; T359-W363 PolarHBondContact O-N 3.19Å; L360-W363 PolarHBondContact O-N 2.64Å; Q361-W363 VanDerWaalsContact C-N 3.29Å; Q361-W363 PolarHBondContact O-N 3.36Å; W363-I366 PolarHBondContact O-N 3.02Å; W363-T367 HydrophobicContact CD2-CG2 4.03Å; W363-T367 HydrophobicContact CE3-CG2 4.46Å; W363-T367 HydrophobicContact CH2-CG2 4.16Å; W363-T367 HydrophobicContact CZ2-CG2 3.69Å; W363-T367 PolarHBondContact NE1-OG1 3.2Å; W363-T367 WeakPolarHBondContact O-CB 3.21Å; W363-T367 PolarHBondContact O-N 3.49Å; W363-T367 PolarHBondContact O-OG1 3.01Å; W363-L371 HydrophobicContact CB-CD1 4.24Å; W363-L371 HydrophobicContact CB-CG 4.49Å; W363-L371 HydrophobicContact CG-CD1 4.12Å; W363-L371 HydrophobicContact CG-CD2 4.2Å; W363-L371 HydrophobicContact CG-CG 4.16Å
364	E	97	Very high	90.3	Very high	79 Å²	79	32.3 Å²	32.3	37%	0.369	17%	0.17	S	C	.	.	H	α-helix	trans	-63.6	-40.8	174.6	-177.7	175.7	-161	0	0	111.8	L360 Q361 I366 G368 H369	L360-E364 PolarHBondContact O-N 2.84Å; Q361-E364 PolarHBondContact O-N 3.3Å; E364-I366 PolarHBondContact O-N 3.35Å; E364-G368 WeakPolarHBondContact O-CA 3.11Å; E364-G368 PolarHBondContact O-N 3.2Å; E364-H369 WeakPolarHBondContact CA-O 3.41Å
365	E	97.1	Very high	91.2	Very high	103 Å²	103	31.4 Å²	31.4	48%	0.481	16%	0.158	S	C	.	.	H	α-helix	trans	-58.1	-47.6	174.3	-73	170.8	-175.1	0	0	112	K338 Q361 R362	K338-E365 WeakPolarHBondContact CD-O 3.41Å; K338-E365 WeakPolarHBondContact CE-O 3.29Å; K338-E365 PolarHBondContact NZ-O 3.28Å; Q361-E365 WeakPolarHBondContact O-CG 3.41Å; Q361-E365 PolarHBondContact O-N 3.11Å; R362-E365 VanDerWaalsContact CD-OE2 3.29Å; R362-E365 WeakPolarHBondContact CD-OE2 3.38Å; R362-E365 IonicContact CZ-OE2 3.3Å; R362-E365 IonicContact NH1-OE2 2.75Å; R362-E365 PolarHBondContact NH1-OE2 3.15Å; R362-E365 PolarHBondContact O-N 3.07Å
366	I	97.9	Very high	92	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-70.5	-46.5	-175.9	-69	167.6	0	0	0	111.7	W296 I321 Y324 V337 K338 R362 W363 E364	W296-I366 HydrophobicContact CH2-CG2 3.82Å; W296-I366 HydrophobicContact CZ2-CG2 4.3Å; I321-I366 HydrophobicContact CB-CD1 4.35Å; I321-I366 HydrophobicContact CG1-CD1 3.97Å; I321-I366 HydrophobicContact CG2-CD1 4.11Å; Y324-I366 HydrophobicContact CD1-CD1 3.59Å; Y324-I366 HydrophobicContact CD1-CG1 3.8Å; Y324-I366 HydrophobicContact CD1-CG2 4.13Å; Y324-I366 HydrophobicContact CD2-CG2 3.61Å; Y324-I366 HydrophobicContact CE1-CB 4.39Å; Y324-I366 HydrophobicContact CE1-CD1 3.95Å; Y324-I366 HydrophobicContact CE1-CG1 3.6Å; Y324-I366 HydrophobicContact CE1-CG2 4.03Å; Y324-I366 HydrophobicContact CE2-CG2 3.53Å; Y324-I366 HydrophobicContact CG-CD1 4.06Å; Y324-I366 HydrophobicContact CG-CG1 4.39Å; Y324-I366 HydrophobicContact CG-CG2 3.93Å; V337-I366 HydrophobicContact CG1-CG2 4.27Å; K338-I366 WeakPolarHBondContact CA-O 3.48Å; K338-I366 WeakPolarHBondContact CB-O 3.36Å; R362-I366 HydrophobicContact CG-CD1 3.91Å; R362-I366 WeakPolarHBondContact O-CD1 3.39Å; R362-I366 WeakPolarHBondContact O-CG1 3.33Å; R362-I366 PolarHBondContact O-N 3.39Å; R362-I366 VanDerWaalsContact O-N 3.09Å; W363-I366 PolarHBondContact O-N 3.02Å; E364-I366 PolarHBondContact O-N 3.35Å
367	T	98.3	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-108.8	-14.2	-167.5	65.5	0	0	0	0	113.7	W296 C341 K342 W363 H369	W296-T367 HydrophobicContact CH2-CG2 4.01Å; C341-T367 HydrophobicContact CB-CG2 4.41Å; C341-T367 WeakPolarHBondContact CB-O 3.21Å; K342-T367 WeakPolarHBondContact CG-O 3.39Å; W363-T367 HydrophobicContact CD2-CG2 4.03Å; W363-T367 HydrophobicContact CE3-CG2 4.46Å; W363-T367 HydrophobicContact CH2-CG2 4.16Å; W363-T367 HydrophobicContact CZ2-CG2 3.69Å; W363-T367 PolarHBondContact NE1-OG1 3.2Å; W363-T367 WeakPolarHBondContact O-CB 3.21Å; W363-T367 PolarHBondContact O-N 3.49Å; W363-T367 PolarHBondContact O-OG1 3.01Å; T367-H369 PolarHBondContact O-CD2 3.26Å; T367-H369 PolarHBondContact O-N 3.3Å; T367-H369 WeakPolarHBondContact OG1-CB 3.46Å; T367-H369 PolarHBondContact OG1-N 3.06Å; T367-H369 VanDerWaalsContact OG1-N 3.15Å
368	G	96.8	Very high	93.3	Very high	25 Å²	25	29.5 Å²	29.5	26%	0.258	15%	0.151	S	C	.	.	S	Bend	trans	72.9	6.6	-167.9	0	0	0	0	0	114.5	E364	E364-G368 WeakPolarHBondContact O-CA 3.11Å; E364-G368 PolarHBondContact O-N 3.2Å
369	H	96.6	Very high	94.3	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.111	14%	0.143	C	C	.	.			trans	-104.2	114.3	179.6	-76	-84.1	0	0	0	111.5	C341 I345 M348 E364 T367 L371	C341-H369 PolarHBondContact O-NE2 3Å; I345-H369 PolarHBondContact O-CE1 2.82Å; I345-H369 PolarHBondContact O-NE2 2.83Å; M348-H369 HydrophobicContact CG-CB 4.44Å; M348-H369 HydrophobicContact SD-CB 4.11Å; E364-H369 WeakPolarHBondContact CA-O 3.41Å; T367-H369 PolarHBondContact O-CD2 3.26Å; T367-H369 PolarHBondContact O-N 3.3Å; T367-H369 WeakPolarHBondContact OG1-CB 3.46Å; T367-H369 PolarHBondContact OG1-N 3.06Å; T367-H369 VanDerWaalsContact OG1-N 3.15Å; H369-L371 PolarHBondContact O-N 3.49Å
370	M	95.9	Very high	95	Very high	57 Å²	57	27.6 Å²	27.6	28%	0.281	14%	0.138	S	C	.	.			trans	-70.6	117	161.7	-170	176.1	-146.2	0	0	108.5	L360 R392	L360-M370 HydrophobicContact CD1-CG 4.15Å; L360-M370 HydrophobicContact CD2-CE 4.41Å; M370-R392 WeakPolarHBondContact CE-O 3.42Å; M370-R392 HydrophobicContact CG-CB 4.28Å; M370-R392 PolarHBondContact O-NH1 3.43Å; M370-R392 HydrophobicContact SD-CB 3.82Å
371	L	96.3	Very high	95.3	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.137	C	C	.	.			trans	-62.2	140.7	-176.2	-63.7	170.9	0	0	0	112.2	Y317 M348 L355 L360 W363 H369 E373	Y317-L371 HydrophobicContact CD1-CD1 4.05Å; Y317-L371 HydrophobicContact CD1-CD2 4.21Å; Y317-L371 HydrophobicContact CD2-CD1 3.95Å; Y317-L371 HydrophobicContact CE1-CD1 4.15Å; Y317-L371 HydrophobicContact CE1-CD2 3.54Å; Y317-L371 HydrophobicContact CE2-CD1 4.04Å; Y317-L371 HydrophobicContact CE2-CD2 4.2Å; Y317-L371 HydrophobicContact CG-CD1 3.95Å; M348-L371 HydrophobicContact CB-CD2 3.58Å; L355-L371 HydrophobicContact CD1-CD1 4.16Å; L355-L371 HydrophobicContact CD2-CB 4.1Å; L355-L371 HydrophobicContact CD2-CD1 4.11Å; L360-L371 HydrophobicContact CD1-CB 3.64Å; L360-L371 HydrophobicContact CD1-CD1 4.47Å; L360-L371 HydrophobicContact CD1-CG 4.17Å; L360-L371 VanDerWaalsContact CD1-N 3.29Å; W363-L371 HydrophobicContact CB-CD1 4.24Å; W363-L371 HydrophobicContact CB-CG 4.49Å; W363-L371 HydrophobicContact CG-CD1 4.12Å; W363-L371 HydrophobicContact CG-CD2 4.2Å; W363-L371 HydrophobicContact CG-CG 4.16Å; H369-L371 PolarHBondContact O-N 3.49Å; L371-E373 PolarHBondContact O-N 3.16Å
372	L	97.5	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.7	167.9	-173.6	159.2	0	0	0	108.9	W250 L347 M348 V349 S350 R374 S385 N386	W250-L372 HydrophobicContact CZ2-CD2 4.02Å; L347-L372 HydrophobicContact CD1-CB 4.28Å; L347-L372 HydrophobicContact CD1-CD1 4.02Å; M348-L372 PolarHBondContact O-N 3.25Å; V349-L372 CarbonylContact C-O 3.52Å; V349-L372 WeakPolarHBondContact CA-O 3.43Å; V349-L372 HydrophobicContact CG1-CD2 4.06Å; V349-L372 WeakPolarHBondContact CG1-O 3.23Å; V349-L372 HydrophobicContact CG2-CB 4.28Å; V349-L372 HydrophobicContact CG2-CD2 4.28Å; S350-L372 PolarHBondContact N-O 3.37Å; L372-R374 HydrophobicContact CD2-CB 4.25Å; L372-S385 WeakPolarHBondContact CD2-OG 3.41Å; L372-N386 WeakPolarHBondContact CD1-O 3.47Å; L372-N386 HydrophobicContact CG-CB 4.21Å
373	E	94.1	Very high	95.9	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.037	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.3	173.3	-172.3	169.7	-162.2	0	0	110.9	S350 L355 L371 N386 V397	S350-E373 WeakPolarHBondContact O-CA 3.48Å; L355-E373 HydrophobicContact CB-CG 4.31Å; L355-E373 WeakPolarHBondContact CB-OE1 3.48Å; L355-E373 HydrophobicContact CD2-CB 4.38Å; L355-E373 PolarHBondContact N-OE1 2.78Å; L371-E373 PolarHBondContact O-N 3.16Å; E373-N386 WeakPolarHBondContact O-CB 3.46Å; E373-N386 PolarHBondContact O-N 3.07Å; E373-N386 PolarHBondContact O-ND2 3.11Å; E373-V397 HydrophobicContact CG-CG1 4.4Å
374	R	95.4	Very high	95.9	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.019	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.8	-179.8	82.3	-58.4	176.7	-72.6	2.2	111.8	W250 H268 V349 S350 G351 S352 L372 M382 L384	W250-R374 HydrophobicContact CH2-CG 3.99Å; W250-R374 HydrophobicContact CZ2-CB 4.05Å; W250-R374 HydrophobicContact CZ2-CG 3.88Å; H268-R374 PolarHBondContact CD2-NH2 2.86Å; H268-R374 VanDerWaalsContact CD2-NH2 3.34Å; H268-R374 PolarHBondContact CE1-NH2 2.84Å; H268-R374 PolarHBondContact ND1-NH2 3.5Å; H268-R374 PolarHBondContact NE2-NH2 2.99Å; H268-R374 VanDerWaalsContact NE2-NH2 3.15Å; V349-R374 VanDerWaalsContact CG1-CD 3.49Å; V349-R374 HydrophobicContact CG1-CG 4.34Å; S350-R374 WeakPolarHBondContact O-CD 3.49Å; S350-R374 PolarHBondContact O-N 3Å; S350-R374 PolarHBondContact O-NE 2.85Å; G351-R374 VanDerWaalsContact C-CZ 3.44Å; G351-R374 VanDerWaalsContact CA-NH1 3.3Å; S352-R374 VanDerWaalsContact N-CZ 3.3Å; S352-R374 PolarHBondContact OG-NH2 2.88Å; L372-R374 HydrophobicContact CD2-CB 4.25Å; R374-M382 HydrophobicContact CG-SD 4.07Å; R374-L384 CarbonylContact C-O 3.55Å; R374-L384 WeakPolarHBondContact CA-O 3.32Å; R374-L384 WeakPolarHBondContact CB-O 3.42Å
375	Y	95.5	Very high	95.9	Very high	21 Å²	21	16.2 Å²	16.2	8%	0.082	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.5	178	170.4	-97	0	0	0	112.3	I380 A383 L384 L439 T469 D471 I482	Y375-I380 HydrophobicContact CE1-CD1 3.93Å; Y375-A383 HydrophobicContact CD1-CB 4.3Å; Y375-A383 PolarHBondContact O-N 3.3Å; Y375-L384 HydrophobicContact CD1-CD1 3.91Å; Y375-L384 HydrophobicContact CD1-CG 4.24Å; Y375-L384 HydrophobicContact CG-CD1 4.39Å; Y375-L384 PolarHBondContact N-O 3.01Å; Y375-L384 PolarHBondContact O-N 3.38Å; Y375-L439 HydrophobicContact CD1-CD2 4.2Å; Y375-L439 HydrophobicContact CE1-CD2 3.55Å; Y375-T469 WeakPolarHBondContact OH-CB 3.37Å; Y375-D471 VanDerWaalsContact CE2-OD2 3.29Å; Y375-D471 WeakPolarHBondContact CE2-OD2 3.21Å; Y375-D471 PolarHBondContact OH-OD2 2.85Å; Y375-I482 HydrophobicContact CD1-CD1 4.4Å; Y375-I482 HydrophobicContact CD2-CD1 3.99Å; Y375-I482 HydrophobicContact CD2-CG1 3.71Å; Y375-I482 HydrophobicContact CE1-CD1 4.48Å; Y375-I482 HydrophobicContact CE2-CD1 4.06Å; Y375-I482 HydrophobicContact CE2-CG1 4.11Å; Y375-I482 HydrophobicContact CG-CD1 4.15Å; Y375-I482 HydrophobicContact CG-CG1 4.09Å
376	G	93.7	Very high	95.9	Very high	15 Å²	15	11.5 Å²	11.5	16%	0.155	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	163.7	-178.8	0	0	0	0	0	112.2	G381	G376-G381 CarbonylContact C-O 3.49Å; G376-G381 WeakPolarHBondContact CA-O 3.5Å
377	M	92.2	Very high	95.8	Very high	25 Å²	25	13.9 Å²	13.9	12%	0.123	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	170.9	175.6	57.9	-166.5	-70.9	0	0	109.5	E379 I380 G381 F467 T469	M377-E379 HydrophobicContact CE-CB 4.3Å; M377-E379 VanDerWaalsContact CE-CD 3.47Å; M377-E379 HydrophobicContact CE-CG 4.28Å; M377-E379 WeakPolarHBondContact CE-OE2 3.11Å; M377-E379 HydrophobicContact CG-CB 4.43Å; M377-E379 PolarHBondContact O-N 3.29Å; M377-I380 HydrophobicContact CG-CB 4.41Å; M377-I380 HydrophobicContact CG-CD1 3.63Å; M377-I380 HydrophobicContact CG-CG1 3.62Å; M377-I380 HydrophobicContact CG-CG2 4.26Å; M377-I380 PolarHBondContact O-N 3.31Å; M377-I380 HydrophobicContact SD-CD1 4.17Å; M377-G381 PolarHBondContact N-O 3.41Å; M377-G381 PolarHBondContact O-N 3.26Å; M377-G381 VanDerWaalsContact O-O 3.13Å; M377-F467 HydrophobicContact CE-CE1 3.73Å; M377-F467 HydrophobicContact CE-CZ 3.9Å; M377-F467 HydrophobicContact SD-CE1 3.77Å; M377-T469 HydrophobicContact SD-CG2 4.18Å
378	T	91.9	Very high	95.7	Very high	16 Å²	16	15.5 Å²	15.5	10%	0.098	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-43.7	-177.1	-53.6	0	0	0	0	110.4	V220 T222 V232 H234 V267 I380	V220-T378 HydrophobicContact CB-CG2 3.73Å; V220-T378 HydrophobicContact CG1-CG2 3.77Å; T222-T378 HydrophobicContact CG2-CG2 4.18Å; V232-T378 HydrophobicContact CB-CG2 3.71Å; V232-T378 HydrophobicContact CG1-CG2 3.91Å; V232-T378 HydrophobicContact CG2-CG2 3.85Å; H234-T378 PolarHBondContact CE1-O 2.84Å; H234-T378 VanDerWaalsContact CE1-O 3.29Å; H234-T378 PolarHBondContact NE2-O 2.81Å; V267-T378 HydrophobicContact CG1-CG2 4.11Å; T378-I380 VanDerWaalsContact C-N 3.33Å; T378-I380 PolarHBondContact O-N 3.3Å
379	E	97.2	Very high	95.4	Very high	15 Å²	15	23.1 Å²	23.1	7%	0.07	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.7	-173.7	-62.4	86.6	161	0	0	115.1	V232 M377 F447 Y450 F467	V232-E379 HydrophobicContact CG1-CB 4.47Å; V232-E379 HydrophobicContact CG1-CG 4.15Å; V232-E379 HydrophobicContact CG2-CG 3.88Å; M377-E379 HydrophobicContact CE-CB 4.3Å; M377-E379 VanDerWaalsContact CE-CD 3.47Å; M377-E379 HydrophobicContact CE-CG 4.28Å; M377-E379 WeakPolarHBondContact CE-OE2 3.11Å; M377-E379 HydrophobicContact CG-CB 4.43Å; M377-E379 PolarHBondContact O-N 3.29Å; E379-F447 HydrophobicContact CB-CD1 3.87Å; E379-F447 HydrophobicContact CB-CE1 4.11Å; E379-F447 HydrophobicContact CB-CG 4.17Å; E379-F447 HydrophobicContact CG-CD1 4.41Å; E379-F447 HydrophobicContact CG-CD2 4.46Å; E379-F447 HydrophobicContact CG-CE1 4.36Å; E379-F447 HydrophobicContact CG-CE2 4.35Å; E379-F447 HydrophobicContact CG-CG 4.48Å; E379-F447 HydrophobicContact CG-CZ 4.33Å; E379-F447 WeakPolarHBondContact O-CB 3.24Å; E379-F447 WeakPolarHBondContact O-CD1 3.19Å; E379-F447 PolarHBondContact O-N 3.4Å; E379-Y450 HydrophobicContact CG-CE1 3.88Å; E379-Y450 PolarHBondContact OE1-OH 3.35Å; E379-F467 HydrophobicContact CB-CE1 3.78Å; E379-F467 HydrophobicContact CB-CE2 3.99Å; E379-F467 HydrophobicContact CB-CZ 3.43Å; E379-F467 VanDerWaalsContact CB-CZ 3.43Å; E379-F467 HydrophobicContact CG-CE1 4.42Å; E379-F467 HydrophobicContact CG-CE2 4.15Å; E379-F467 HydrophobicContact CG-CZ 3.65Å
380	I	95.9	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-7.4	-173.8	73.5	-170.3	0	0	0	113.8	Y375 M377 T378 A383 V441 S445 V446 F467 T469	Y375-I380 HydrophobicContact CE1-CD1 3.93Å; M377-I380 HydrophobicContact CG-CB 4.41Å; M377-I380 HydrophobicContact CG-CD1 3.63Å; M377-I380 HydrophobicContact CG-CG1 3.62Å; M377-I380 HydrophobicContact CG-CG2 4.26Å; M377-I380 PolarHBondContact O-N 3.31Å; M377-I380 HydrophobicContact SD-CD1 4.17Å; T378-I380 VanDerWaalsContact C-N 3.33Å; T378-I380 PolarHBondContact O-N 3.3Å; I380-A383 HydrophobicContact CD1-CB 3.67Å; I380-A383 HydrophobicContact CG1-CB 4.23Å; I380-V441 HydrophobicContact CB-CG1 4.29Å; I380-V441 HydrophobicContact CD1-CG1 4.43Å; I380-V441 HydrophobicContact CD1-CG2 4.09Å; I380-V441 HydrophobicContact CG2-CB 4.28Å; I380-V441 HydrophobicContact CG2-CG1 4.26Å; I380-S445 WeakPolarHBondContact O-CB 3.46Å; I380-S445 PolarHBondContact O-OG 2.87Å; I380-V446 HydrophobicContact CG2-CG2 4.39Å; I380-F467 HydrophobicContact CG2-CD1 3.41Å; I380-F467 VanDerWaalsContact CG2-CD1 3.41Å; I380-F467 HydrophobicContact CG2-CE1 3.78Å; I380-F467 HydrophobicContact CG2-CG 4.22Å; I380-T469 HydrophobicContact CD1-CG2 4.49Å
381	G	94.6	Very high	94.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.2	-131.8	-165.1	0	0	0	0	0	111.8	M242 G376 M377	M242-G381 WeakPolarHBondContact SD-CA 3.14Å; G376-G381 CarbonylContact C-O 3.49Å; G376-G381 WeakPolarHBondContact CA-O 3.5Å; M377-G381 PolarHBondContact N-O 3.41Å; M377-G381 PolarHBondContact O-N 3.26Å; M377-G381 VanDerWaalsContact O-O 3.13Å
382	M	95.7	Very high	94.7	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.044	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.6	171.3	-53	-57.3	124.6	0	0	108.2	L246 V267 R374 L401	L246-M382 HydrophobicContact CD1-CG 3.91Å; L246-M382 HydrophobicContact CD2-CB 4Å; L246-M382 HydrophobicContact CD2-CG 3.98Å; L246-M382 HydrophobicContact CG-CG 4.43Å; V267-M382 HydrophobicContact CG2-CE 4.16Å; R374-M382 HydrophobicContact CG-SD 4.07Å; M382-L401 HydrophobicContact CB-CD1 3.56Å; M382-L401 WeakPolarHBondContact O-CD1 3.44Å
383	A	97.1	Very high	94.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-38.2	-178.5	0	0	0	0	0	112.8	Y375 I380 P400 L401 V404 V441	Y375-A383 HydrophobicContact CD1-CB 4.3Å; Y375-A383 PolarHBondContact O-N 3.3Å; I380-A383 HydrophobicContact CD1-CB 3.67Å; I380-A383 HydrophobicContact CG1-CB 4.23Å; A383-P400 WeakPolarHBondContact O-CA 3.48Å; A383-L401 PolarHBondContact O-N 2.98Å; A383-V404 HydrophobicContact CB-CG1 4.03Å; A383-V441 HydrophobicContact CB-CG1 4.09Å; A383-V441 HydrophobicContact CB-CG2 4.25Å
384	L	97.8	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.3	-178.1	-50.6	163.2	0	0	0	109.8	R374 Y375 V397 L399 P400 V406 L439 Y480 I482	R374-L384 CarbonylContact C-O 3.55Å; R374-L384 WeakPolarHBondContact CA-O 3.32Å; R374-L384 WeakPolarHBondContact CB-O 3.42Å; Y375-L384 HydrophobicContact CD1-CD1 3.91Å; Y375-L384 HydrophobicContact CD1-CG 4.24Å; Y375-L384 HydrophobicContact CG-CD1 4.39Å; Y375-L384 PolarHBondContact N-O 3.01Å; Y375-L384 PolarHBondContact O-N 3.38Å; L384-V397 CarbonylContact C-O 3.58Å; L384-V397 VanDerWaalsContact C-O 3.29Å; L384-V397 HydrophobicContact CB-CB 4.43Å; L384-V397 HydrophobicContact CB-CG2 3.99Å; L384-V397 WeakPolarHBondContact CB-O 3.36Å; L384-V397 HydrophobicContact CD1-CG2 3.49Å; L384-V397 VanDerWaalsContact CD1-CG2 3.49Å; L384-V397 HydrophobicContact CG-CG2 4.38Å; L384-L399 CarbonylContact C-O 3.54Å; L384-L399 VanDerWaalsContact CA-O 3.23Å; L384-L399 WeakPolarHBondContact CA-O 3.13Å; L384-P400 HydrophobicContact CD2-CB 4.21Å; L384-P400 HydrophobicContact CD2-CG 3.88Å; L384-V406 HydrophobicContact CD2-CG1 3.82Å; L384-V406 HydrophobicContact CD2-CG2 4.34Å; L384-L439 HydrophobicContact CD1-CD2 4.22Å; L384-Y480 HydrophobicContact CD1-CG 4.22Å; L384-Y480 HydrophobicContact CD2-CD2 4.1Å; L384-Y480 HydrophobicContact CD2-CG 4.13Å; L384-I482 HydrophobicContact CD1-CD1 4.41Å
385	S	97.3	Very high	93.1	Very high	11 Å²	11	33.3 Å²	33.3	8%	0.077	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140.3	177.3	-174.8	0	0	0	0	111.4	W250 L372 V397 G398 L399	W250-S385 PolarHBondContact NE1-OG 2.95Å; W250-S385 VanDerWaalsContact NE1-OG 3.08Å; L372-S385 WeakPolarHBondContact CD2-OG 3.41Å; S385-V397 CarbonylContact C-O 3.54Å; S385-V397 VanDerWaalsContact CA-O 3.26Å; S385-V397 WeakPolarHBondContact CA-O 3.32Å; S385-V397 PolarHBondContact N-O 3.16Å; S385-V397 VanDerWaalsContact N-O 3.09Å; S385-G398 WeakPolarHBondContact O-CA 3.44Å; S385-L399 PolarHBondContact N-O 3.28Å; S385-L399 PolarHBondContact O-N 2.83Å
386	N	96.7	Very high	92.9	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	19%	0.193	C	C	.	.			trans	-61.3	150.2	156.9	-81.9	-86.9	0	0	0	109.5	L372 E373 R392 I393 A396 V397	L372-N386 WeakPolarHBondContact CD1-O 3.47Å; L372-N386 HydrophobicContact CG-CB 4.21Å; E373-N386 WeakPolarHBondContact O-CB 3.46Å; E373-N386 PolarHBondContact O-N 3.07Å; E373-N386 PolarHBondContact O-ND2 3.11Å; N386-R392 HydrophobicContact CB-CB 4.3Å; N386-R392 HydrophobicContact CB-CG 4.2Å; N386-I393 PolarHBondContact OD1-N 2.95Å; N386-A396 PolarHBondContact ND2-O 3.28Å; N386-V397 PolarHBondContact N-O 2.9Å
387	P	95.2	Very high	92.8	Very high	53 Å²	53	32 Å²	32	34%	0.344	19%	0.188	S	C	.	.			trans	-70.7	148.9	-175.3	30.9	-36.8	0	0	0	111.5	K389 P391 R392	P387-K389 VanDerWaalsContact C-N 3.34Å; P387-K389 WeakPolarHBondContact CB-O 3.36Å; P387-P391 WeakPolarHBondContact CG-O 3.35Å; P387-R392 PolarHBondContact O-NE 2.93Å
388	L	95.7	Very high	93	Very high	35 Å²	35	30.8 Å²	30.8	18%	0.183	18%	0.183	C	C	.	.	S	Bend	trans	-60.9	-46.1	172.5	176.7	66.1	0	0	0	111	E249 A251 L347 R392	E249-L388 WeakPolarHBondContact O-CB 3.49Å; A251-L388 HydrophobicContact CB-CD2 3.56Å; L347-L388 HydrophobicContact CD1-CD1 3.78Å; L347-L388 HydrophobicContact CD2-CD1 4.21Å; L347-L388 HydrophobicContact CG-CD1 4.44Å; L388-R392 PolarHBondContact O-NH2 3.14Å
389	K	92.1	Very high	93.2	Very high	184 Å²	184	33.8 Å²	33.8	80%	0.8	20%	0.198	S	C	*	.	S	Bend	trans	-113.9	136.7	179.1	-61.7	-178.9	-177.7	177.1	0	109.8	P387	P387-K389 VanDerWaalsContact C-N 3.34Å; P387-K389 WeakPolarHBondContact CB-O 3.36Å
390	G	90.4	Very high	93.2	Very high	55 Å²	55	33.3 Å²	33.3	57%	0.567	20%	0.196	S	C	*	.	S	Bend	trans	106.3	-175.1	-179	0	0	0	0	0	112.9
391	P	89.6	Confident	93.3	Very high	111 Å²	111	33.4 Å²	33.4	72%	0.721	20%	0.197	S	C	*	.			trans	-66.7	137.9	-176.6	28	-33.9	0	0	0	111	P387	P387-P391 WeakPolarHBondContact CG-O 3.35Å
392	R	94.1	Very high	93.3	Very high	38 Å²	38	34.5 Å²	34.5	14%	0.143	20%	0.203	C	C	.	.			trans	-107.1	123.9	172.5	-58.2	174.9	177.2	163.5	7.6	107.4	M370 N386 P387 L388	M370-R392 WeakPolarHBondContact CE-O 3.42Å; M370-R392 HydrophobicContact CG-CB 4.28Å; M370-R392 PolarHBondContact O-NH1 3.43Å; M370-R392 HydrophobicContact SD-CB 3.82Å; N386-R392 HydrophobicContact CB-CB 4.3Å; N386-R392 HydrophobicContact CB-CG 4.2Å; P387-R392 PolarHBondContact O-NE 2.93Å; L388-R392 PolarHBondContact O-NH2 3.14Å
393	I	90.6	Very high	93.2	Very high	63 Å²	63	39.6 Å²	39.6	32%	0.323	23%	0.231	S	C	.	.			trans	-91	115.3	-173.8	-59.5	-176.4	0	0	0	108.2	N386 G395 A396 V479 W481	N386-I393 PolarHBondContact OD1-N 2.95Å; I393-G395 PolarHBondContact O-N 3.15Å; I393-A396 HydrophobicContact CB-CB 3.9Å; I393-A396 HydrophobicContact CG2-CB 3.82Å; I393-A396 WeakPolarHBondContact O-CB 3.45Å; I393-A396 PolarHBondContact O-N 3.4Å; I393-A396 VanDerWaalsContact O-N 3.1Å; I393-V479 HydrophobicContact CD1-CB 4.41Å; I393-V479 HydrophobicContact CD1-CG1 3.79Å; I393-V479 HydrophobicContact CD1-CG2 3.73Å; I393-V479 HydrophobicContact CG2-CG2 4.45Å; I393-W481 HydrophobicContact CG2-CH2 3.74Å; I393-W481 HydrophobicContact CG2-CZ2 3.69Å
394	A	84.8	Confident	93.3	Very high	35 Å²	35	39.7 Å²	39.7	29%	0.289	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128.5	-176.1	0	0	0	0	0	112.1	L357 L360 A396 W481	L357-A394 HydrophobicContact CD1-CB 3.53Å; L360-A394 HydrophobicContact CD2-CB 3.42Å; L360-A394 VanDerWaalsContact CD2-CB 3.42Å; A394-A396 PolarHBondContact O-N 2.98Å; A394-W481 WeakPolarHBondContact O-CH2 3.49Å; A394-W481 VanDerWaalsContact O-CZ3 3.32Å; A394-W481 WeakPolarHBondContact O-CZ3 3.25Å
395	G	77.8	Confident	93.3	Very high	9 Å²	9	42.4 Å²	42.4	9%	0.093	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-8.4	-178.5	0	0	0	0	0	114.8	I393 W481	I393-G395 PolarHBondContact O-N 3.15Å; G395-W481 VanDerWaalsContact C-CE3 3.49Å; G395-W481 VanDerWaalsContact C-CZ3 3.45Å; G395-W481 VanDerWaalsContact O-CE3 3.29Å
396	A	90.4	Very high	93.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.			trans	-89.5	150.8	167.5	0	0	0	0	0	109.6	N386 I393 A394 V479 W481	N386-A396 PolarHBondContact ND2-O 3.28Å; I393-A396 HydrophobicContact CB-CB 3.9Å; I393-A396 HydrophobicContact CG2-CB 3.82Å; I393-A396 WeakPolarHBondContact O-CB 3.45Å; I393-A396 PolarHBondContact O-N 3.4Å; I393-A396 VanDerWaalsContact O-N 3.1Å; A394-A396 PolarHBondContact O-N 2.98Å; A396-V479 HydrophobicContact CB-CB 4.31Å; A396-V479 HydrophobicContact CB-CG2 3.84Å; A396-W481 HydrophobicContact CB-CD2 3.85Å; A396-W481 HydrophobicContact CB-CE3 4.04Å; A396-W481 HydrophobicContact CB-CG 4.43Å; A396-W481 HydrophobicContact CB-CH2 4.1Å; A396-W481 HydrophobicContact CB-CZ2 3.91Å; A396-W481 HydrophobicContact CB-CZ3 4.16Å
397	V	92.6	Very high	93.4	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	25%	0.247	C	C	.	.			trans	-100.8	7.3	179.1	-61.8	0	0	0	0	112.5	E373 L384 S385 N386 Y480 I482	E373-V397 HydrophobicContact CG-CG1 4.4Å; L384-V397 CarbonylContact C-O 3.58Å; L384-V397 VanDerWaalsContact C-O 3.29Å; L384-V397 HydrophobicContact CB-CB 4.43Å; L384-V397 HydrophobicContact CB-CG2 3.99Å; L384-V397 WeakPolarHBondContact CB-O 3.36Å; L384-V397 HydrophobicContact CD1-CG2 3.49Å; L384-V397 VanDerWaalsContact CD1-CG2 3.49Å; L384-V397 HydrophobicContact CG-CG2 4.38Å; S385-V397 CarbonylContact C-O 3.54Å; S385-V397 VanDerWaalsContact CA-O 3.26Å; S385-V397 WeakPolarHBondContact CA-O 3.32Å; S385-V397 PolarHBondContact N-O 3.16Å; S385-V397 VanDerWaalsContact N-O 3.09Å; N386-V397 PolarHBondContact N-O 2.9Å; V397-Y480 WeakPolarHBondContact CG2-O 3.37Å; V397-Y480 PolarHBondContact N-O 3.32Å; V397-I482 HydrophobicContact CB-CG1 4.46Å; V397-I482 HydrophobicContact CG1-CG1 3.92Å; V397-I482 HydrophobicContact CG2-CD1 4.14Å; V397-I482 HydrophobicContact CG2-CG1 3.74Å
398	G	95.1	Very high	93.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	84.5	-137.7	172.2	0	0	0	0	0	113.9	S385 Y480	S385-G398 WeakPolarHBondContact O-CA 3.44Å; G398-Y480 WeakPolarHBondContact O-CB 3.19Å; G398-Y480 WeakPolarHBondContact O-CD2 3.49Å; G398-Y480 PolarHBondContact O-N 2.94Å
399	L	96.5	Very high	93.4	Very high	78 Å²	78	39.8 Å²	39.8	41%	0.408	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.7	-171.3	-70.6	175.2	0	0	0	111.6	L384 S385 L401 Y475 G478 Y480	L384-L399 CarbonylContact C-O 3.54Å; L384-L399 VanDerWaalsContact CA-O 3.23Å; L384-L399 WeakPolarHBondContact CA-O 3.13Å; S385-L399 PolarHBondContact N-O 3.28Å; S385-L399 PolarHBondContact O-N 2.83Å; L399-L401 PolarHBondContact O-N 3.37Å; L399-Y475 HydrophobicContact CD2-CE2 4.5Å; L399-G478 VanDerWaalsContact CD2-O 3.26Å; L399-G478 WeakPolarHBondContact CD2-O 3.42Å; L399-Y480 HydrophobicContact CD2-CD2 4.47Å
400	P	97.8	Very high	93.3	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.9	174.8	-21.6	34.1	0	0	0	111.7	A383 L384 V406 H423 Y480	A383-P400 WeakPolarHBondContact O-CA 3.48Å; L384-P400 HydrophobicContact CD2-CB 4.21Å; L384-P400 HydrophobicContact CD2-CG 3.88Å; P400-V406 HydrophobicContact CB-CG1 4.4Å; P400-V406 HydrophobicContact CB-CG2 4.49Å; P400-V406 HydrophobicContact CG-CG1 4.29Å; P400-V406 HydrophobicContact CG-CG2 3.6Å; P400-H423 WeakPolarHBondContact O-CA 3.15Å; P400-Y480 HydrophobicContact CG-CE2 3.92Å
401	L	97	Very high	92.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-71	162.8	174.2	-74.9	169.1	0	0	0	111.3	C245 L246 E249 M382 A383 L399 D403 V404	C245-L401 WeakPolarHBondContact SG-CB 3.38Å; L246-L401 HydrophobicContact CD2-CD1 4.11Å; E249-L401 HydrophobicContact CB-CD2 3.88Å; E249-L401 HydrophobicContact CG-CD2 3.65Å; M382-L401 HydrophobicContact CB-CD1 3.56Å; M382-L401 WeakPolarHBondContact O-CD1 3.44Å; A383-L401 PolarHBondContact O-N 2.98Å; L399-L401 PolarHBondContact O-N 3.37Å; L401-D403 PolarHBondContact O-N 3.46Å; L401-V404 HydrophobicContact CB-CG2 4.15Å; L401-V404 WeakPolarHBondContact O-CB 3.32Å; L401-V404 PolarHBondContact O-N 2.97Å
402	P	95.3	Very high	91.5	Very high	23 Å²	23	32 Å²	32	15%	0.149	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	138.9	176.6	-29.7	35.8	0	0	0	112.9	E249 V404	E249-P402 VanDerWaalsContact CD-CD 3.45Å; E249-P402 VanDerWaalsContact CD-CG 3.49Å; E249-P402 HydrophobicContact CG-CG 3.52Å; E249-P402 WeakPolarHBondContact OE1-CG 3.39Å; P402-V404 PolarHBondContact O-N 2.98Å
403	D	94.4	Very high	90	Very high	116 Å²	116	37.3 Å²	37.3	62%	0.62	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	6.5	-176.8	-53.7	-40.8	0	0	0	115.8	L401 G443 P444	L401-D403 PolarHBondContact O-N 3.46Å; D403-G443 WeakPolarHBondContact O-CA 3.49Å; D403-P444 HydrophobicContact CB-CG 3.89Å; D403-P444 WeakPolarHBondContact O-CD 3.49Å
404	V	97.5	Very high	89	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.018	22%	0.222	C	C	.	.			trans	-96	129.7	170	-176.8	0	0	0	0	109.5	A383 L401 P402 V406 V441	A383-V404 HydrophobicContact CB-CG1 4.03Å; L401-V404 HydrophobicContact CB-CG2 4.15Å; L401-V404 WeakPolarHBondContact O-CB 3.32Å; L401-V404 PolarHBondContact O-N 2.97Å; P402-V404 PolarHBondContact O-N 2.98Å; V404-V406 HydrophobicContact CG1-CG1 4.16Å; V404-V441 HydrophobicContact CG1-CG1 3.86Å
405	E	98.4	Very high	88.7	Confident	57 Å²	57	41.8 Å²	41.8	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.3	169.4	-58.1	175.9	-89.4	0	0	109	G421 N422 V441 R442 W466	E405-G421 CarbonylContact C-O 3.58Å; E405-G421 WeakPolarHBondContact CA-O 3.3Å; E405-N422 HydrophobicContact CG-CB 4.35Å; E405-V441 WeakPolarHBondContact O-CA 3.39Å; E405-R442 HydrophobicContact CB-CB 4.42Å; E405-R442 PolarHBondContact N-O 3.47Å; E405-R442 PolarHBondContact O-N 3.26Å; E405-R442 IonicContact OE1-CZ 3.13Å; E405-R442 VanDerWaalsContact OE1-CZ 3.3Å; E405-R442 IonicContact OE1-NE 2.61Å; E405-R442 PolarHBondContact OE1-NE 3.14Å; E405-R442 IonicContact OE1-NH2 3.37Å; E405-R442 PolarHBondContact OE1-NH2 3.47Å; E405-R442 IonicContact OE2-CZ 3.21Å; E405-R442 IonicContact OE2-NE 3.69Å; E405-R442 IonicContact OE2-NH2 3.91Å; E405-R442 PolarHBondContact OE2-NH2 2.92Å; E405-W466 HydrophobicContact CB-CH2 3.67Å; E405-W466 HydrophobicContact CB-CZ3 4.05Å; E405-W466 WeakPolarHBondContact O-CZ3 3.33Å
406	V	98.4	Very high	89.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.1	176.4	-56.1	0	0	0	0	110.6	L384 P400 V404 E420 G421 L439 L440 V441 W466 Y480	L384-V406 HydrophobicContact CD2-CG1 3.82Å; L384-V406 HydrophobicContact CD2-CG2 4.34Å; P400-V406 HydrophobicContact CB-CG1 4.4Å; P400-V406 HydrophobicContact CB-CG2 4.49Å; P400-V406 HydrophobicContact CG-CG1 4.29Å; P400-V406 HydrophobicContact CG-CG2 3.6Å; V404-V406 HydrophobicContact CG1-CG1 4.16Å; V406-E420 CarbonylContact O-C 3.49Å; V406-E420 WeakPolarHBondContact O-CA 3.45Å; V406-G421 PolarHBondContact N-O 2.94Å; V406-G421 PolarHBondContact O-N 2.91Å; V406-L439 HydrophobicContact CB-CD1 4.04Å; V406-L440 CarbonylContact C-O 3.12Å; V406-L440 VanDerWaalsContact CA-O 3.3Å; V406-L440 WeakPolarHBondContact CA-O 3.18Å; V406-V441 HydrophobicContact CG1-CG2 4.25Å; V406-W466 VanDerWaalsContact C-CZ3 3.49Å; V406-Y480 HydrophobicContact CG2-CD1 4.27Å; V406-Y480 HydrophobicContact CG2-CE1 3.44Å; V406-Y480 VanDerWaalsContact CG2-CE1 3.44Å; V406-Y480 HydrophobicContact CG2-CE2 4.03Å; V406-Y480 WeakPolarHBondContact CG2-OH 3.45Å
407	R	97.4	Very high	89.4	Confident	40 Å²	40	45.8 Å²	45.8	15%	0.151	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.4	176.5	-175.2	-172.1	-71.1	168.5	-5.5	109.5	V409 M417 A419 E420 L440 D464 W466	R407-V409 HydrophobicContact CG-CG1 3.86Å; R407-M417 HydrophobicContact CG-CG 3.84Å; R407-A419 CarbonylContact C-O 3.47Å; R407-A419 VanDerWaalsContact CA-O 3.27Å; R407-A419 WeakPolarHBondContact CA-O 3.41Å; R407-E420 HydrophobicContact CG-CB 4.5Å; R407-E420 IonicContact CZ-OE2 2.68Å; R407-E420 IonicContact NE-OE2 2.65Å; R407-E420 PolarHBondContact NE-OE2 3.01Å; R407-E420 IonicContact NH2-OE2 3.27Å; R407-E420 PolarHBondContact NH2-OE2 3.39Å; R407-L440 HydrophobicContact CB-CB 4.27Å; R407-L440 PolarHBondContact N-O 3.44Å; R407-L440 PolarHBondContact O-N 2.82Å; R407-D464 IonicContact CZ-OD2 3.2Å; R407-D464 IonicContact NH1-OD1 3.5Å; R407-D464 IonicContact NH1-OD2 3.82Å; R407-D464 PolarHBondContact NH1-OD2 3.14Å; R407-D464 IonicContact NH2-OD2 3.85Å; R407-W466 HydrophobicContact CB-CD2 4.34Å; R407-W466 HydrophobicContact CB-CE3 3.94Å; R407-W466 HydrophobicContact CB-CH2 3.77Å; R407-W466 HydrophobicContact CB-CZ2 4.19Å; R407-W466 HydrophobicContact CB-CZ3 3.65Å; R407-W466 VanDerWaalsContact NH1-NE1 3.12Å; R407-W466 VanDerWaalsContact NH2-NE1 3.13Å
408	I	97.4	Very high	89.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.6	170.9	-56.4	178.9	0	0	0	107.2	I418 A419 E438 L439 A473 Y480	I408-I418 HydrophobicContact CB-CB 4.3Å; I408-I418 HydrophobicContact CG2-CB 4.17Å; I408-I418 HydrophobicContact CG2-CD1 3.91Å; I408-I418 WeakPolarHBondContact O-CB 3.47Å; I408-I418 PolarHBondContact O-N 3.03Å; I408-A419 HydrophobicContact CB-CB 4.4Å; I408-A419 HydrophobicContact CD1-CB 4.42Å; I408-A419 PolarHBondContact N-O 3.46Å; I408-A419 PolarHBondContact O-N 2.87Å; I408-E438 WeakPolarHBondContact CA-O 3.35Å; I408-L439 HydrophobicContact CG1-CD1 4.3Å; I408-A473 HydrophobicContact CD1-CB 4.26Å; I408-Y480 HydrophobicContact CD1-CD1 4.05Å; I408-Y480 HydrophobicContact CD1-CE1 3.94Å; I408-Y480 HydrophobicContact CG1-CE1 4.25Å
409	V	94.9	Very high	89.6	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142	178.8	-61.9	0	0	0	0	110.9	R407 N415 T416 G437 E438 L440	R407-V409 HydrophobicContact CG-CG1 3.86Å; V409-N415 HydrophobicContact CB-CB 4.46Å; V409-T416 WeakPolarHBondContact CA-O 3.22Å; V409-G437 CarbonylContact O-C 3.59Å; V409-G437 WeakPolarHBondContact O-CA 3.27Å; V409-E438 HydrophobicContact CG2-CB 4.11Å; V409-E438 PolarHBondContact N-O 3.41Å; V409-E438 PolarHBondContact O-N 3.45Å; V409-L440 HydrophobicContact CB-CD1 4.49Å; V409-L440 HydrophobicContact CG1-CD1 3.75Å; V409-L440 HydrophobicContact CG1-CG 4.42Å; V409-L440 HydrophobicContact CG2-CD1 3.86Å; V409-L440 HydrophobicContact CG2-CD2 4.3Å; V409-L440 HydrophobicContact CG2-CG 4.01Å
410	M	88.9	Confident	89.7	Confident	46 Å²	46	44.8 Å²	44.8	23%	0.227	24%	0.243	C	C	.	.			trans	-62.1	138.8	173.3	-73.2	-169.2	-178.8	0	0	110.8	N412 T416 I418 L432	M410-N412 HydrophobicContact CB-CB 4.48Å; M410-N412 PolarHBondContact O-N 2.78Å; M410-T416 PolarHBondContact N-O 3.28Å; M410-I418 HydrophobicContact CE-CG1 4.24Å; M410-I418 HydrophobicContact CG-CD1 3.63Å; M410-I418 HydrophobicContact CG-CG1 3.78Å; M410-L432 HydrophobicContact CE-CD1 3.75Å; M410-L432 HydrophobicContact CE-CD2 3.3Å; M410-L432 HydrophobicContact CE-CG 4.12Å
411	N	72	Confident	89.6	Confident	82 Å²	82	44.8 Å²	44.8	44%	0.439	24%	0.243	S	C	.	.	S	Bend	trans	-75.1	62.5	168.2	-69.6	0.7	0	0	0	110.4	E438 S486	N411-E438 VanDerWaalsContact OD1-CB 3.3Å; N411-E438 WeakPolarHBondContact OD1-CB 3.18Å; N411-E438 PolarHBondContact OD1-N 3.37Å; N411-S486 PolarHBondContact ND2-OG 2.83Å
412	N	70.9	Confident	89.6	Confident	59 Å²	59	47.1 Å²	47.1	32%	0.316	26%	0.256	S	S	.	.	S	Bend	trans	-130.9	169.1	173.7	66.4	9.6	0	0	0	110.5	M410 T414 N415 T416	M410-N412 HydrophobicContact CB-CB 4.48Å; M410-N412 PolarHBondContact O-N 2.78Å; N412-T414 PolarHBondContact O-N 3.38Å; N412-T414 PolarHBondContact OD1-N 3.02Å; N412-T414 PolarHBondContact OD1-OG1 2.99Å; N412-N415 PolarHBondContact O-N 3Å; N412-N415 VanDerWaalsContact O-N 3.11Å; N412-N415 PolarHBondContact O-OD1 3.15Å; N412-N415 PolarHBondContact OD1-N 2.99Å; N412-N415 VanDerWaalsContact OD1-N 3.07Å; N412-T416 PolarHBondContact OD1-N 3.32Å
413	T	63	Low	89.6	Confident	150 Å²	150	50.2 Å²	50.2	92%	0.92	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.6	-177	21.6	0	0	0	0	114.5
414	T	68.5	Low	89.5	Confident	100 Å²	100	52.6 Å²	52.6	61%	0.613	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-2.1	-178.7	60.7	0	0	0	0	113.9	N412 T416	N412-T414 PolarHBondContact O-N 3.38Å; N412-T414 PolarHBondContact OD1-N 3.02Å; N412-T414 PolarHBondContact OD1-OG1 2.99Å; T414-T416 PolarHBondContact O-N 3.24Å; T414-T416 PolarHBondContact OG1-OG1 3.39Å
415	N	78.1	Confident	89.4	Confident	92 Å²	92	57 Å²	57	49%	0.492	29%	0.293	S	S	.	.			trans	43.6	48.7	-175.5	-71.5	-24.8	0	0	0	112.6	V409 N412 M417	V409-N415 HydrophobicContact CB-CB 4.46Å; N412-N415 PolarHBondContact O-N 3Å; N412-N415 VanDerWaalsContact O-N 3.11Å; N412-N415 PolarHBondContact O-OD1 3.15Å; N412-N415 PolarHBondContact OD1-N 2.99Å; N412-N415 VanDerWaalsContact OD1-N 3.07Å; N415-M417 PolarHBondContact O-N 3.16Å; N415-M417 VanDerWaalsContact O-N 3.15Å
416	T	88.3	Confident	89.4	Confident	29 Å²	29	55.4 Å²	55.4	18%	0.178	29%	0.288	C	S	.	.			trans	-61	122.5	-173.8	-58.9	0	0	0	0	110.1	V409 M410 N412 T414 I418 L432	V409-T416 WeakPolarHBondContact CA-O 3.22Å; M410-T416 PolarHBondContact N-O 3.28Å; N412-T416 PolarHBondContact OD1-N 3.32Å; T414-T416 PolarHBondContact O-N 3.24Å; T414-T416 PolarHBondContact OG1-OG1 3.39Å; T416-I418 PolarHBondContact O-N 3.18Å; T416-L432 HydrophobicContact CG2-CD1 4.15Å
417	M	94.4	Very high	89.3	Confident	64 Å²	64	63.2 Å²	63.2	32%	0.315	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	122.7	177.3	-177.2	-79.8	-71.4	0	0	110.2	R407 N415 A419 E420 R429	R407-M417 HydrophobicContact CG-CG 3.84Å; N415-M417 PolarHBondContact O-N 3.16Å; N415-M417 VanDerWaalsContact O-N 3.15Å; M417-A419 VanDerWaalsContact SD-C 3.55Å; M417-A419 PolarHBondContact SD-N 2.71Å; M417-A419 VanDerWaalsContact SD-N 3.4Å; M417-E420 HydrophobicContact SD-CB 4.33Å; M417-R429 HydrophobicContact CE-CB 4.43Å; M417-R429 WeakPolarHBondContact O-CD 3.45Å
418	I	96.1	Very high	89.3	Confident	4 Å²	4	64 Å²	64	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-53.4	174.4	-67	161.7	0	0	0	109.7	I408 M410 T416 I428 R429 L432 K435 E436	I408-I418 HydrophobicContact CB-CB 4.3Å; I408-I418 HydrophobicContact CG2-CB 4.17Å; I408-I418 HydrophobicContact CG2-CD1 3.91Å; I408-I418 WeakPolarHBondContact O-CB 3.47Å; I408-I418 PolarHBondContact O-N 3.03Å; M410-I418 HydrophobicContact CE-CG1 4.24Å; M410-I418 HydrophobicContact CG-CD1 3.63Å; M410-I418 HydrophobicContact CG-CG1 3.78Å; T416-I418 PolarHBondContact O-N 3.18Å; I418-I428 CarbonylContact O-C 3.5Å; I418-I428 WeakPolarHBondContact O-CA 3.38Å; I418-I428 WeakPolarHBondContact O-CG2 3.48Å; I418-R429 PolarHBondContact O-N 3.48Å; I418-L432 HydrophobicContact CG1-CD1 4.11Å; I418-L432 HydrophobicContact CG2-CB 4.14Å; I418-K435 HydrophobicContact CD1-CB 4.07Å; I418-K435 HydrophobicContact CG1-CB 4.37Å; I418-K435 HydrophobicContact CG2-CB 4.17Å; I418-E436 VanDerWaalsContact CD1-O 3.23Å; I418-E436 WeakPolarHBondContact CD1-O 3.38Å
419	A	97	Very high	89.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149	-179.8	0	0	0	0	0	110.9	R407 I408 M417 T426 R427 I428	R407-A419 CarbonylContact C-O 3.47Å; R407-A419 VanDerWaalsContact CA-O 3.27Å; R407-A419 WeakPolarHBondContact CA-O 3.41Å; I408-A419 HydrophobicContact CB-CB 4.4Å; I408-A419 HydrophobicContact CD1-CB 4.42Å; I408-A419 PolarHBondContact N-O 3.46Å; I408-A419 PolarHBondContact O-N 2.87Å; M417-A419 VanDerWaalsContact SD-C 3.55Å; M417-A419 PolarHBondContact SD-N 2.71Å; M417-A419 VanDerWaalsContact SD-N 3.4Å; A419-T426 HydrophobicContact CB-CG2 4.2Å; A419-R427 CarbonylContact C-O 3.6Å; A419-R427 VanDerWaalsContact CA-O 3.23Å; A419-R427 WeakPolarHBondContact CA-O 3.32Å; A419-I428 HydrophobicContact CB-CG1 4.4Å
420	E	97.6	Very high	89.1	Confident	62 Å²	62	75.3 Å²	75.3	29%	0.29	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.3	170.6	-173.3	169.7	121.3	0	0	108.6	V406 R407 M417 T426 R427 W466	V406-E420 CarbonylContact O-C 3.49Å; V406-E420 WeakPolarHBondContact O-CA 3.45Å; R407-E420 HydrophobicContact CG-CB 4.5Å; R407-E420 IonicContact CZ-OE2 2.68Å; R407-E420 IonicContact NE-OE2 2.65Å; R407-E420 PolarHBondContact NE-OE2 3.01Å; R407-E420 IonicContact NH2-OE2 3.27Å; R407-E420 PolarHBondContact NH2-OE2 3.39Å; M417-E420 HydrophobicContact SD-CB 4.33Å; E420-T426 WeakPolarHBondContact O-CA 3.25Å; E420-R427 PolarHBondContact N-O 3.15Å; E420-R427 PolarHBondContact O-N 3.44Å; E420-W466 HydrophobicContact CG-CH2 4.23Å; E420-W466 HydrophobicContact CG-CZ2 4.43Å
421	G	97.1	Very high	89.3	Confident	5 Å²	5	75.9 Å²	75.9	5%	0.052	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	164.4	-176	0	0	0	0	0	114.1	E405 V406 E425	E405-G421 CarbonylContact C-O 3.58Å; E405-G421 WeakPolarHBondContact CA-O 3.3Å; V406-G421 PolarHBondContact N-O 2.94Å; V406-G421 PolarHBondContact O-N 2.91Å; G421-E425 CarbonylContact C-O 3.59Å; G421-E425 WeakPolarHBondContact CA-O 3.24Å
422	N	96.6	Very high	90.3	Very high	52 Å²	52	73.2 Å²	73.2	28%	0.278	38%	0.384	S	S	.	.			trans	-141.5	-170.1	175.5	62.2	39.5	0	0	0	109.3	E405 K424 E425	E405-N422 HydrophobicContact CG-CB 4.35Å; N422-K424 PolarHBondContact O-N 3.14Å; N422-K424 VanDerWaalsContact O-N 3.08Å; N422-K424 WeakPolarHBondContact OD1-CB 3.31Å; N422-K424 PolarHBondContact OD1-N 3.09Å; N422-E425 PolarHBondContact N-O 2.88Å; N422-E425 PolarHBondContact OD1-N 3.3Å
423	H	93.9	Very high	91.3	Very high	88 Å²	88	75.8 Å²	75.8	41%	0.407	39%	0.394	S	S	.	.	S	Bend	trans	-62.1	-15.4	-178	79.2	-88.2	0	0	0	115.3	P400	P400-H423 WeakPolarHBondContact O-CA 3.15Å
424	K	93.8	Very high	92.5	Very high	166 Å²	166	70.9 Å²	70.9	72%	0.722	37%	0.373	S	S	*	.	S	Bend	trans	-98.4	-43	-178	-60	-173.7	178	177.6	0	112.5	N422	N422-K424 PolarHBondContact O-N 3.14Å; N422-K424 VanDerWaalsContact O-N 3.08Å; N422-K424 WeakPolarHBondContact OD1-CB 3.31Å; N422-K424 PolarHBondContact OD1-N 3.09Å
425	E	95.6	Very high	93.6	Very high	94 Å²	94	71.5 Å²	71.5	44%	0.439	37%	0.367	S	S	.	.			trans	-155.8	158.4	-173.5	61	174.1	-164.1	0	0	112.1	G421 N422 R427	G421-E425 CarbonylContact C-O 3.59Å; G421-E425 WeakPolarHBondContact CA-O 3.24Å; N422-E425 PolarHBondContact N-O 2.88Å; N422-E425 PolarHBondContact OD1-N 3.3Å; E425-R427 IonicContact OE1-CZ 2.71Å; E425-R427 IonicContact OE1-NE 2.67Å; E425-R427 PolarHBondContact OE1-NE 2.94Å; E425-R427 IonicContact OE1-NH2 3.43Å; E425-R427 PolarHBondContact OE1-NH2 3.49Å; E425-R427 IonicContact OE2-CZ 3.51Å; E425-R427 IonicContact OE2-NE 3.37Å; E425-R427 IonicContact OE2-NH2 3.54Å; E425-R427 PolarHBondContact OE2-NH2 3.33Å
426	T	97.3	Very high	94.2	Very high	24 Å²	24	70.3 Å²	70.3	15%	0.147	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.6	168.3	-63.8	0	0	0	0	109.1	A419 E420 Y475 Y480	A419-T426 HydrophobicContact CB-CG2 4.2Å; E420-T426 WeakPolarHBondContact O-CA 3.25Å; T426-Y475 VanDerWaalsContact CB-CZ 3.49Å; T426-Y475 HydrophobicContact CG2-CD1 3.62Å; T426-Y475 HydrophobicContact CG2-CD2 3.95Å; T426-Y475 HydrophobicContact CG2-CE1 3.52Å; T426-Y475 HydrophobicContact CG2-CE2 3.86Å; T426-Y475 HydrophobicContact CG2-CG 3.82Å; T426-Y480 HydrophobicContact CG2-CE2 4.41Å; T426-Y480 WeakPolarHBondContact CG2-OH 3.38Å; T426-Y480 WeakPolarHBondContact OG1-CE2 3.5Å; T426-Y480 PolarHBondContact OG1-OH 2.87Å
427	R	96.7	Very high	94.4	Very high	164 Å²	164	69 Å²	69	62%	0.619	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.4	175.7	-62.5	179.1	-175.7	-105.7	-4.3	109.2	A419 E420 E425	A419-R427 CarbonylContact C-O 3.6Å; A419-R427 VanDerWaalsContact CA-O 3.23Å; A419-R427 WeakPolarHBondContact CA-O 3.32Å; E420-R427 PolarHBondContact N-O 3.15Å; E420-R427 PolarHBondContact O-N 3.44Å; E425-R427 IonicContact OE1-CZ 2.71Å; E425-R427 IonicContact OE1-NE 2.67Å; E425-R427 PolarHBondContact OE1-NE 2.94Å; E425-R427 IonicContact OE1-NH2 3.43Å; E425-R427 PolarHBondContact OE1-NH2 3.49Å; E425-R427 IonicContact OE2-CZ 3.51Å; E425-R427 IonicContact OE2-NE 3.37Å; E425-R427 IonicContact OE2-NH2 3.54Å; E425-R427 PolarHBondContact OE2-NH2 3.33Å
428	I	96.3	Very high	94.4	Very high	56 Å²	56	67.7 Å²	67.7	29%	0.287	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.8	175.5	-48.8	174.6	0	0	0	107.9	I418 A419 E433 Y475	I418-I428 CarbonylContact O-C 3.5Å; I418-I428 WeakPolarHBondContact O-CA 3.38Å; I418-I428 WeakPolarHBondContact O-CG2 3.48Å; A419-I428 HydrophobicContact CB-CG1 4.4Å; I428-E433 HydrophobicContact CG2-CG 4.38Å; I428-Y475 HydrophobicContact CD1-CD1 3.56Å; I428-Y475 HydrophobicContact CD1-CE1 3.82Å; I428-Y475 HydrophobicContact CG1-CD1 3.74Å; I428-Y475 HydrophobicContact CG1-CE1 4.03Å
429	R	94.7	Very high	94.4	Very high	131 Å²	131	67.5 Å²	67.5	49%	0.494	34%	0.343	S	S	.	.			trans	-66.9	128.6	170.8	171.9	176.8	-98.1	-143.3	-2.4	109	M417 I418 G431 L432	M417-R429 HydrophobicContact CE-CB 4.43Å; M417-R429 WeakPolarHBondContact O-CD 3.45Å; I418-R429 PolarHBondContact O-N 3.48Å; R429-G431 PolarHBondContact O-N 3.27Å; R429-L432 HydrophobicContact CB-CD1 4.04Å; R429-L432 HydrophobicContact CB-CG 4.47Å; R429-L432 HydrophobicContact CG-CD1 3.96Å; R429-L432 HydrophobicContact CG-CG 4.31Å; R429-L432 WeakPolarHBondContact O-CB 3.47Å; R429-L432 PolarHBondContact O-N 2.86Å; R429-L432 VanDerWaalsContact O-N 3.09Å
430	P	94.2	Very high	94.5	Very high	114 Å²	114	67.7 Å²	67.7	74%	0.74	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	133.2	-179.3	-29	35.2	0	0	0	113.2	L432	P430-L432 VanDerWaalsContact C-N 3.31Å
431	G	92.7	Very high	94.5	Very high	57 Å²	57	64.8 Å²	64.8	59%	0.588	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	0.2	-179.9	0	0	0	0	0	114.6	R429 E433	R429-G431 PolarHBondContact O-N 3.27Å; G431-E433 VanDerWaalsContact C-OE2 3.23Å; G431-E433 WeakPolarHBondContact CA-OE2 3.3Å; G431-E433 PolarHBondContact N-OE1 2.79Å; G431-E433 VanDerWaalsContact N-OE1 3.13Å; G431-E433 PolarHBondContact N-OE2 3.22Å
432	L	93.3	Very high	94.6	Very high	27 Å²	27	68.1 Å²	68.1	14%	0.141	34%	0.341	C	S	.	.			trans	-112.7	18.2	176.6	-57.2	-174.6	0	0	0	113	M410 T416 I418 R429 P430 G434 K435	M410-L432 HydrophobicContact CE-CD1 3.75Å; M410-L432 HydrophobicContact CE-CD2 3.3Å; M410-L432 HydrophobicContact CE-CG 4.12Å; T416-L432 HydrophobicContact CG2-CD1 4.15Å; I418-L432 HydrophobicContact CG1-CD1 4.11Å; I418-L432 HydrophobicContact CG2-CB 4.14Å; R429-L432 HydrophobicContact CB-CD1 4.04Å; R429-L432 HydrophobicContact CB-CG 4.47Å; R429-L432 HydrophobicContact CG-CD1 3.96Å; R429-L432 HydrophobicContact CG-CG 4.31Å; R429-L432 WeakPolarHBondContact O-CB 3.47Å; R429-L432 PolarHBondContact O-N 2.86Å; R429-L432 VanDerWaalsContact O-N 3.09Å; P430-L432 VanDerWaalsContact C-N 3.31Å; L432-G434 PolarHBondContact O-N 2.91Å; L432-K435 HydrophobicContact CB-CG 4.23Å; L432-K435 HydrophobicContact CD2-CG 4.38Å; L432-K435 WeakPolarHBondContact O-CB 3.21Å; L432-K435 WeakPolarHBondContact O-CG 3.43Å; L432-K435 PolarHBondContact O-N 3.29Å
433	E	92.4	Very high	94.6	Very high	113 Å²	113	66.6 Å²	66.6	53%	0.528	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	132.6	177.7	-60.5	76.6	-167.2	0	0	111	I428 G431 K435	I428-E433 HydrophobicContact CG2-CG 4.38Å; G431-E433 VanDerWaalsContact C-OE2 3.23Å; G431-E433 WeakPolarHBondContact CA-OE2 3.3Å; G431-E433 PolarHBondContact N-OE1 2.79Å; G431-E433 VanDerWaalsContact N-OE1 3.13Å; G431-E433 PolarHBondContact N-OE2 3.22Å; E433-K435 PolarHBondContact O-N 3.23Å; E433-K435 VanDerWaalsContact O-N 3.14Å
434	G	87.8	Confident	94.7	Very high	46 Å²	46	65.7 Å²	65.7	47%	0.474	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	7.6	-179.9	0	0	0	0	0	115.4	L432 V474	L432-G434 PolarHBondContact O-N 2.91Å; G434-V474 WeakPolarHBondContact O-CG2 3.29Å
435	K	91.2	Very high	94.8	Very high	114 Å²	114	58 Å²	58	50%	0.496	31%	0.307	S	S	.	.			trans	-75.7	140.5	174.9	-61.5	-62.5	-178.9	-174.4	0	111	I418 L432 E433	I418-K435 HydrophobicContact CD1-CB 4.07Å; I418-K435 HydrophobicContact CG1-CB 4.37Å; I418-K435 HydrophobicContact CG2-CB 4.17Å; L432-K435 HydrophobicContact CB-CG 4.23Å; L432-K435 HydrophobicContact CD2-CG 4.38Å; L432-K435 WeakPolarHBondContact O-CB 3.21Å; L432-K435 WeakPolarHBondContact O-CG 3.43Å; L432-K435 PolarHBondContact O-N 3.29Å; E433-K435 PolarHBondContact O-N 3.23Å; E433-K435 VanDerWaalsContact O-N 3.14Å
436	E	91.2	Very high	94.9	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	152.9	175.2	60.9	172.5	-148.1	0	0	112.2	I418 T472 A473 V474 L483 K497	I418-E436 VanDerWaalsContact CD1-O 3.23Å; I418-E436 WeakPolarHBondContact CD1-O 3.38Å; E436-T472 HydrophobicContact CB-CG2 4.08Å; E436-A473 WeakPolarHBondContact CA-O 3.29Å; E436-V474 HydrophobicContact CB-CB 4.45Å; E436-L483 HydrophobicContact CB-CD1 3.79Å; E436-L483 WeakPolarHBondContact OE2-CD1 3.26Å; E436-K497 WeakPolarHBondContact OE1-CD 3.08Å
437	G	91.9	Very high	95	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	177.2	176.8	0	0	0	0	0	112.6	V409 T472 A473	V409-G437 CarbonylContact O-C 3.59Å; V409-G437 WeakPolarHBondContact O-CA 3.27Å; G437-T472 CarbonylContact O-C 3.55Å; G437-T472 WeakPolarHBondContact O-CA 3.21Å; G437-A473 PolarHBondContact N-O 3.17Å; G437-A473 PolarHBondContact O-N 2.99Å
438	E	94.8	Very high	95	Very high	37 Å²	37	50.5 Å²	50.5	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131.3	172.3	179.4	171.3	-146.1	0	0	110.2	I408 V409 N411 L440 G470	I408-E438 WeakPolarHBondContact CA-O 3.35Å; V409-E438 HydrophobicContact CG2-CB 4.11Å; V409-E438 PolarHBondContact N-O 3.41Å; V409-E438 PolarHBondContact O-N 3.45Å; N411-E438 VanDerWaalsContact OD1-CB 3.3Å; N411-E438 WeakPolarHBondContact OD1-CB 3.18Å; N411-E438 PolarHBondContact OD1-N 3.37Å; E438-L440 HydrophobicContact CG-CD2 3.95Å; E438-G470 WeakPolarHBondContact OE1-CA 3.49Å; E438-G470 PolarHBondContact OE1-N 2.97Å
439	L	97.2	Very high	95	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.1	173.4	-177.3	67.6	0	0	0	109.5	Y375 L384 V406 I408 V441 T469 D471 A473 I482	Y375-L439 HydrophobicContact CD1-CD2 4.2Å; Y375-L439 HydrophobicContact CE1-CD2 3.55Å; L384-L439 HydrophobicContact CD1-CD2 4.22Å; V406-L439 HydrophobicContact CB-CD1 4.04Å; I408-L439 HydrophobicContact CG1-CD1 4.3Å; L439-V441 HydrophobicContact CG-CG2 4.33Å; L439-T469 HydrophobicContact CG-CG2 4.39Å; L439-T469 WeakPolarHBondContact O-CB 3.23Å; L439-T469 VanDerWaalsContact O-CG2 3.28Å; L439-T469 WeakPolarHBondContact O-CG2 3.4Å; L439-T469 PolarHBondContact O-N 3.38Å; L439-T469 PolarHBondContact O-OG1 3.25Å; L439-D471 PolarHBondContact N-O 3.27Å; L439-A473 HydrophobicContact CB-CB 3.88Å; L439-A473 HydrophobicContact CD1-CB 4.24Å; L439-A473 HydrophobicContact CD2-CB 4.43Å; L439-A473 HydrophobicContact CG-CB 4.42Å; L439-I482 HydrophobicContact CD2-CD1 3.81Å
440	L	97.9	Very high	95.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.6	170.9	-46.6	-178	0	0	0	109.7	V406 R407 V409 E438 T462 W466 F467 K468	V406-L440 CarbonylContact C-O 3.12Å; V406-L440 VanDerWaalsContact CA-O 3.3Å; V406-L440 WeakPolarHBondContact CA-O 3.18Å; R407-L440 HydrophobicContact CB-CB 4.27Å; R407-L440 PolarHBondContact N-O 3.44Å; R407-L440 PolarHBondContact O-N 2.82Å; V409-L440 HydrophobicContact CB-CD1 4.49Å; V409-L440 HydrophobicContact CG1-CD1 3.75Å; V409-L440 HydrophobicContact CG1-CG 4.42Å; V409-L440 HydrophobicContact CG2-CD1 3.86Å; V409-L440 HydrophobicContact CG2-CD2 4.3Å; V409-L440 HydrophobicContact CG2-CG 4.01Å; E438-L440 HydrophobicContact CG-CD2 3.95Å; L440-T462 HydrophobicContact CD1-CG2 4.11Å; L440-W466 HydrophobicContact CB-CB 3.96Å; L440-W466 HydrophobicContact CB-CD2 4.36Å; L440-W466 HydrophobicContact CB-CE3 3.86Å; L440-W466 HydrophobicContact CB-CG 4.44Å; L440-W466 HydrophobicContact CD1-CB 4.12Å; L440-F467 CarbonylContact C-O 3.56Å; L440-F467 VanDerWaalsContact CA-O 3.23Å; L440-F467 WeakPolarHBondContact CA-O 3.42Å; L440-K468 HydrophobicContact CD2-CB 4.07Å; L440-K468 HydrophobicContact CD2-CG 3.74Å
441	V	98.4	Very high	95.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.4	-178.2	179.6	0	0	0	0	110.3	I380 A383 V404 E405 V406 L439 V446 F467 T469	I380-V441 HydrophobicContact CB-CG1 4.29Å; I380-V441 HydrophobicContact CD1-CG1 4.43Å; I380-V441 HydrophobicContact CD1-CG2 4.09Å; I380-V441 HydrophobicContact CG2-CB 4.28Å; I380-V441 HydrophobicContact CG2-CG1 4.26Å; A383-V441 HydrophobicContact CB-CG1 4.09Å; A383-V441 HydrophobicContact CB-CG2 4.25Å; V404-V441 HydrophobicContact CG1-CG1 3.86Å; E405-V441 WeakPolarHBondContact O-CA 3.39Å; V406-V441 HydrophobicContact CG1-CG2 4.25Å; L439-V441 HydrophobicContact CG-CG2 4.33Å; V441-V446 HydrophobicContact CG1-CG2 4.35Å; V441-F467 PolarHBondContact N-O 2.9Å; V441-F467 WeakPolarHBondContact O-CB 3.14Å; V441-F467 PolarHBondContact O-N 3.42Å; V441-T469 HydrophobicContact CB-CG2 4.43Å; V441-T469 HydrophobicContact CG2-CG2 3.7Å
442	R	98.2	Very high	95.4	Very high	76 Å²	76	43.1 Å²	43.1	29%	0.287	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.7	173.2	-175.5	174.5	71.5	-165.5	-1.9	109.1	E405 W466	E405-R442 HydrophobicContact CB-CB 4.42Å; E405-R442 PolarHBondContact N-O 3.47Å; E405-R442 PolarHBondContact O-N 3.26Å; E405-R442 IonicContact OE1-CZ 3.13Å; E405-R442 VanDerWaalsContact OE1-CZ 3.3Å; E405-R442 IonicContact OE1-NE 2.61Å; E405-R442 PolarHBondContact OE1-NE 3.14Å; E405-R442 IonicContact OE1-NH2 3.37Å; E405-R442 PolarHBondContact OE1-NH2 3.47Å; E405-R442 IonicContact OE2-CZ 3.21Å; E405-R442 IonicContact OE2-NE 3.69Å; E405-R442 IonicContact OE2-NH2 3.91Å; E405-R442 PolarHBondContact OE2-NH2 2.92Å; R442-W466 HydrophobicContact CB-CD2 3.88Å; R442-W466 HydrophobicContact CB-CE3 3.66Å; R442-W466 HydrophobicContact CB-CG 4.49Å; R442-W466 HydrophobicContact CB-CH2 4.31Å; R442-W466 HydrophobicContact CB-CZ2 4.5Å; R442-W466 HydrophobicContact CB-CZ3 3.87Å
443	G	97	Very high	95.4	Very high	20 Å²	20	44.3 Å²	44.3	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	162.1	171.8	178.4	0	0	0	0	0	112.1	D403 S445 V446	D403-G443 WeakPolarHBondContact O-CA 3.49Å; G443-S445 PolarHBondContact O-N 3.5Å; G443-V446 WeakPolarHBondContact O-CB 3.27Å; G443-V446 WeakPolarHBondContact O-CG2 3.22Å; G443-V446 PolarHBondContact O-N 2.87Å
444	P	96.5	Very high	95.6	Very high	69 Å²	69	43.6 Å²	43.6	45%	0.448	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.4	-177.9	28.5	-33.4	0	0	0	113.3	S238 A241 D403 V446	S238-P444 VanDerWaalsContact CA-O 3.22Å; S238-P444 WeakPolarHBondContact CA-O 3.34Å; S238-P444 WeakPolarHBondContact CB-O 3.38Å; A241-P444 HydrophobicContact CB-CB 3.75Å; A241-P444 HydrophobicContact CB-CG 3.87Å; D403-P444 HydrophobicContact CB-CG 3.89Å; D403-P444 WeakPolarHBondContact O-CD 3.49Å; P444-V446 VanDerWaalsContact C-N 3.32Å
445	S	96.2	Very high	96	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.035	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.8	176.7	61.4	0	0	0	0	114.2	I380 G443 F447	I380-S445 WeakPolarHBondContact O-CB 3.46Å; I380-S445 PolarHBondContact O-OG 2.87Å; G443-S445 PolarHBondContact O-N 3.5Å; S445-F447 PolarHBondContact O-N 2.91Å
446	V	98.1	Very high	96	Very high	20 Å²	20	44.7 Å²	44.7	12%	0.121	23%	0.225	C	C	.	.	S	Bend	trans	-64.2	136.1	-177.7	-178.5	0	0	0	0	109.5	I380 V441 G443 P444 F461 F467	I380-V446 HydrophobicContact CG2-CG2 4.39Å; V441-V446 HydrophobicContact CG1-CG2 4.35Å; G443-V446 WeakPolarHBondContact O-CB 3.27Å; G443-V446 WeakPolarHBondContact O-CG2 3.22Å; G443-V446 PolarHBondContact O-N 2.87Å; P444-V446 VanDerWaalsContact C-N 3.32Å; V446-F461 HydrophobicContact CG1-CE1 3.8Å; V446-F461 HydrophobicContact CG1-CZ 3.84Å; V446-F467 HydrophobicContact CG1-CB 4.07Å
447	F	97.9	Very high	96.2	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	22%	0.215	C	C	.	.			trans	-56.5	158.8	178	82.8	-48.6	0	0	0	112.2	V232 E379 S445 E449 Y450 F461 F467	V232-F447 HydrophobicContact CB-CD2 4.3Å; V232-F447 HydrophobicContact CG1-CB 3.51Å; V232-F447 HydrophobicContact CG1-CD2 3.46Å; V232-F447 VanDerWaalsContact CG1-CD2 3.46Å; V232-F447 HydrophobicContact CG1-CE2 4.39Å; V232-F447 HydrophobicContact CG1-CG 3.75Å; E379-F447 HydrophobicContact CB-CD1 3.87Å; E379-F447 HydrophobicContact CB-CE1 4.11Å; E379-F447 HydrophobicContact CB-CG 4.17Å; E379-F447 HydrophobicContact CG-CD1 4.41Å; E379-F447 HydrophobicContact CG-CD2 4.46Å; E379-F447 HydrophobicContact CG-CE1 4.36Å; E379-F447 HydrophobicContact CG-CE2 4.35Å; E379-F447 HydrophobicContact CG-CG 4.48Å; E379-F447 HydrophobicContact CG-CZ 4.33Å; E379-F447 WeakPolarHBondContact O-CB 3.24Å; E379-F447 WeakPolarHBondContact O-CD1 3.19Å; E379-F447 PolarHBondContact O-N 3.4Å; S445-F447 PolarHBondContact O-N 2.91Å; F447-E449 WeakPolarHBondContact CD2-O 3.42Å; F447-E449 WeakPolarHBondContact CE2-O 3.36Å; F447-Y450 AromaticContact CE2-CD1 3.7Å; F447-Y450 HydrophobicContact CE2-CD1 3.7Å; F447-Y450 AromaticContact CE2-CD2 3.88Å; F447-Y450 HydrophobicContact CE2-CD2 3.88Å; F447-Y450 AromaticContact CE2-CE1 3.81Å; F447-Y450 HydrophobicContact CE2-CE1 3.81Å; F447-Y450 AromaticContact CE2-CE2 3.97Å; F447-Y450 HydrophobicContact CE2-CE2 3.97Å; F447-Y450 AromaticContact CE2-CG 3.74Å; F447-Y450 HydrophobicContact CE2-CG 3.74Å; F447-Y450 AromaticContact CE2-CZ 3.94Å; F447-Y450 VanDerWaalsContact CE2-N 3.31Å; F447-Y450 HydrophobicContact CZ-CD1 4.39Å; F447-Y450 AromaticContact CZ-CD2 3.93Å; F447-Y450 HydrophobicContact CZ-CD2 3.93Å; F447-Y450 HydrophobicContact CZ-CE1 4.18Å; F447-Y450 AromaticContact CZ-CE2 3.69Å; F447-Y450 HydrophobicContact CZ-CE2 3.69Å; F447-Y450 HydrophobicContact CZ-CG 4.27Å; F447-Y450 AromaticContact CZ-CZ 3.82Å; F447-F461 HydrophobicContact CD1-CE2 4.39Å; F447-F461 AromaticContact CD1-CZ 3.93Å; F447-F461 HydrophobicContact CD1-CZ 3.93Å; F447-F461 AromaticContact CE1-CE2 3.46Å; F447-F461 HydrophobicContact CE1-CE2 3.46Å; F447-F461 VanDerWaalsContact CE1-CE2 3.46Å; F447-F461 AromaticContact CE1-CZ 3.35Å; F447-F461 HydrophobicContact CE1-CZ 3.35Å; F447-F461 AromaticContact CZ-CE2 3.83Å; F447-F461 HydrophobicContact CZ-CE2 3.83Å; F447-F461 HydrophobicContact CZ-CZ 4.18Å; F447-F467 HydrophobicContact CD1-CD2 4.43Å; F447-F467 HydrophobicContact CD1-CE2 4.45Å; F447-F467 AromaticContact CE1-CD2 3.55Å; F447-F467 HydrophobicContact CE1-CD2 3.55Å; F447-F467 AromaticContact CE1-CE2 3.5Å; F447-F467 HydrophobicContact CE1-CE2 3.5Å; F447-F467 VanDerWaalsContact CE1-CE2 3.5Å; F447-F467 HydrophobicContact CE1-CG 4.48Å; F447-F467 HydrophobicContact CE1-CZ 4.43Å; F447-F467 HydrophobicContact CZ-CD2 4.29Å; F447-F467 AromaticContact CZ-CE2 3.9Å; F447-F467 HydrophobicContact CZ-CE2 3.9Å
448	K	96.8	Very high	96.5	Very high	98 Å²	98	51.6 Å²	51.6	43%	0.426	25%	0.25	S	C	.	.	S	Bend	trans	-75.3	-51.1	-180	-177.1	175.2	-179.5	175.3	0	111.4	L233 T235	L233-K448 HydrophobicContact CD2-CD 4.09Å; L233-K448 HydrophobicContact CG-CB 4.47Å; L233-K448 PolarHBondContact O-N 3.38Å; T235-K448 HydrophobicContact CG2-CB 4.25Å; T235-K448 HydrophobicContact CG2-CD 3.8Å
449	E	97.3	Very high	96.5	Very high	66 Å²	66	55 Å²	55	31%	0.308	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	163.2	-174.4	61.9	-169.6	-174.1	0	0	111.9	L233 F447 T457	L233-E449 HydrophobicContact CB-CG 4.22Å; L233-E449 HydrophobicContact CD2-CG 4.07Å; L233-E449 PolarHBondContact N-O 2.98Å; F447-E449 WeakPolarHBondContact CD2-O 3.42Å; F447-E449 WeakPolarHBondContact CE2-O 3.36Å; E449-T457 HydrophobicContact CB-CG2 3.75Å
450	Y	97.1	Very high	96.3	Very high	19 Å²	19	55.6 Å²	55.6	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	121.7	161	-65.1	-67.5	0	0	0	107.8	K230 G231 V232 E379 F447 N452 R453 E456 T457 A460	K230-Y450 HydrophobicContact CB-CD1 3.95Å; K230-Y450 HydrophobicContact CB-CE1 4.35Å; K230-Y450 HydrophobicContact CD-CD1 4.18Å; K230-Y450 HydrophobicContact CD-CE1 4.2Å; G231-Y450 CarbonylContact O-C 3.59Å; G231-Y450 WeakPolarHBondContact O-CA 3.19Å; V232-Y450 HydrophobicContact CG2-CD1 4.04Å; V232-Y450 HydrophobicContact CG2-CE1 3.89Å; E379-Y450 HydrophobicContact CG-CE1 3.88Å; E379-Y450 PolarHBondContact OE1-OH 3.35Å; F447-Y450 AromaticContact CE2-CD1 3.7Å; F447-Y450 HydrophobicContact CE2-CD1 3.7Å; F447-Y450 AromaticContact CE2-CD2 3.88Å; F447-Y450 HydrophobicContact CE2-CD2 3.88Å; F447-Y450 AromaticContact CE2-CE1 3.81Å; F447-Y450 HydrophobicContact CE2-CE1 3.81Å; F447-Y450 AromaticContact CE2-CE2 3.97Å; F447-Y450 HydrophobicContact CE2-CE2 3.97Å; F447-Y450 AromaticContact CE2-CG 3.74Å; F447-Y450 HydrophobicContact CE2-CG 3.74Å; F447-Y450 AromaticContact CE2-CZ 3.94Å; F447-Y450 VanDerWaalsContact CE2-N 3.31Å; F447-Y450 HydrophobicContact CZ-CD1 4.39Å; F447-Y450 AromaticContact CZ-CD2 3.93Å; F447-Y450 HydrophobicContact CZ-CD2 3.93Å; F447-Y450 HydrophobicContact CZ-CE1 4.18Å; F447-Y450 AromaticContact CZ-CE2 3.69Å; F447-Y450 HydrophobicContact CZ-CE2 3.69Å; F447-Y450 HydrophobicContact CZ-CG 4.27Å; F447-Y450 AromaticContact CZ-CZ 3.82Å; Y450-N452 PolarHBondContact O-N 2.96Å; Y450-R453 PolarHBondContact O-N 3.4Å; Y450-E456 HydrophobicContact CD2-CB 4.35Å; Y450-T457 PolarHBondContact N-OG1 3.02Å; Y450-T457 PolarHBondContact O-OG1 3.43Å; Y450-A460 HydrophobicContact CE2-CB 3.75Å
451	W	96.8	Very high	96.3	Very high	29 Å²	29	57.4 Å²	57.4	11%	0.11	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	129.4	-176.4	-177.7	-105.7	0	0	0	111.1	D156 S157 I219 G231 L233 R453	D156-W451 PolarHBondContact O-NE1 3.18Å; S157-W451 PolarHBondContact O-NE1 3.44Å; I219-W451 HydrophobicContact CD1-CB 4.3Å; I219-W451 HydrophobicContact CD1-CD2 3.73Å; I219-W451 HydrophobicContact CD1-CE3 3.96Å; I219-W451 HydrophobicContact CD1-CG 3.88Å; I219-W451 HydrophobicContact CG2-CB 4.49Å; G231-W451 PolarHBondContact O-N 3.45Å; L233-W451 HydrophobicContact CD2-CE3 4.06Å; L233-W451 HydrophobicContact CD2-CZ3 4.23Å; W451-R453 WeakPolarHBondContact O-CG 3.2Å; W451-R453 PolarHBondContact O-N 2.85Å; W451-R453 VanDerWaalsContact O-N 3.12Å
452	N	94.8	Very high	96.1	Very high	89 Å²	89	58.7 Å²	58.7	48%	0.476	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	28.4	-177.6	-72.5	-23.6	0	0	0	114.9	Q158 Y450	Q158-N452 VanDerWaalsContact CD-ND2 3.35Å; Q158-N452 PolarHBondContact OE1-ND2 3.32Å; Y450-N452 PolarHBondContact O-N 2.96Å
453	R	94.9	Very high	95.8	Very high	52 Å²	52	63.9 Å²	63.9	20%	0.196	32%	0.319	C	S	.	.			trans	-135.2	64.7	-176.9	-72.9	179.7	-169.7	-83.1	-4.3	111.8	Y152 D156 Y450 W451 Q455 E456 T457	Y152-R453 PolarHBondContact OH-NH2 3Å; D156-R453 IonicContact OD1-NH2 2.69Å; Y450-R453 PolarHBondContact O-N 3.4Å; W451-R453 WeakPolarHBondContact O-CG 3.2Å; W451-R453 PolarHBondContact O-N 2.85Å; W451-R453 VanDerWaalsContact O-N 3.12Å; R453-Q455 VanDerWaalsContact C-N 3.32Å; R453-Q455 PolarHBondContact O-N 2.96Å; R453-E456 HydrophobicContact CB-CB 4.33Å; R453-E456 VanDerWaalsContact CB-OE2 3.25Å; R453-E456 WeakPolarHBondContact CB-OE2 3.42Å; R453-E456 WeakPolarHBondContact CD-OE1 3.26Å; R453-E456 IonicContact CZ-OE1 2.79Å; R453-E456 IonicContact NH1-OE1 3.95Å; R453-E456 PolarHBondContact NH1-OE1 3.45Å; R453-E456 PolarHBondContact O-N 2.71Å; R453-T457 VanDerWaalsContact O-CB 3.3Å; R453-T457 WeakPolarHBondContact O-CB 3.19Å; R453-T457 PolarHBondContact O-N 3.41Å; R453-T457 PolarHBondContact O-OG1 2.85Å
454	P	96.4	Very high	95.6	Very high	97 Å²	97	66.8 Å²	66.8	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-32.4	-174.4	26.1	-34.9	0	0	0	113.1	R458	P454-R458 WeakPolarHBondContact O-CB 3.49Å; P454-R458 PolarHBondContact O-N 3.31Å
455	Q	95	Very high	95.5	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	33%	0.327	S	S	*	.	H	α-helix	trans	-69.8	-53	176.4	-178.7	176.3	-6.3	0	0	110.9	R453 T457 R458 E459	R453-Q455 VanDerWaalsContact C-N 3.32Å; R453-Q455 PolarHBondContact O-N 2.96Å; Q455-T457 PolarHBondContact O-N 3.3Å; Q455-R458 PolarHBondContact O-N 3.38Å; Q455-R458 VanDerWaalsContact O-N 3.12Å; Q455-E459 HydrophobicContact CG-CG 4.45Å; Q455-E459 VanDerWaalsContact CG-OE1 3.28Å; Q455-E459 WeakPolarHBondContact CG-OE1 2.96Å; Q455-E459 PolarHBondContact NE2-OE1 3.44Å; Q455-E459 WeakPolarHBondContact O-CG 3.29Å; Q455-E459 PolarHBondContact O-N 2.97Å
456	E	92.1	Very high	95.6	Very high	56 Å²	56	65 Å²	65	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-30.2	178.5	-60	104.8	123.5	0	0	112.2	Y450 R453 A460	Y450-E456 HydrophobicContact CD2-CB 4.35Å; R453-E456 HydrophobicContact CB-CB 4.33Å; R453-E456 VanDerWaalsContact CB-OE2 3.25Å; R453-E456 WeakPolarHBondContact CB-OE2 3.42Å; R453-E456 WeakPolarHBondContact CD-OE1 3.26Å; R453-E456 IonicContact CZ-OE1 2.79Å; R453-E456 IonicContact NH1-OE1 3.95Å; R453-E456 PolarHBondContact NH1-OE1 3.45Å; R453-E456 PolarHBondContact O-N 2.71Å; E456-A460 VanDerWaalsContact O-CB 3.28Å; E456-A460 WeakPolarHBondContact O-CB 3.24Å; E456-A460 PolarHBondContact O-N 2.77Å
457	T	95.9	Very high	95.6	Very high	18 Å²	18	64.1 Å²	64.1	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-53.8	171.4	-60.2	0	0	0	0	110	E449 Y450 R453 Q455 E459 A460 F461	E449-T457 HydrophobicContact CB-CG2 3.75Å; Y450-T457 PolarHBondContact N-OG1 3.02Å; Y450-T457 PolarHBondContact O-OG1 3.43Å; R453-T457 VanDerWaalsContact O-CB 3.3Å; R453-T457 WeakPolarHBondContact O-CB 3.19Å; R453-T457 PolarHBondContact O-N 3.41Å; R453-T457 PolarHBondContact O-OG1 2.85Å; Q455-T457 PolarHBondContact O-N 3.3Å; T457-E459 VanDerWaalsContact C-N 3.29Å; T457-E459 PolarHBondContact O-N 3.08Å; T457-A460 PolarHBondContact O-N 2.91Å; T457-A460 VanDerWaalsContact O-N 3.08Å; T457-F461 HydrophobicContact CG2-CD2 4.38Å; T457-F461 HydrophobicContact CG2-CE2 4.24Å; T457-F461 VanDerWaalsContact O-CD2 3.29Å; T457-F461 WeakPolarHBondContact O-CD2 3.42Å; T457-F461 PolarHBondContact O-N 2.81Å
458	R	96.6	Very high	95.5	Very high	196 Å²	196	67 Å²	67	74%	0.74	33%	0.332	S	S	*	.	H	α-helix	trans	-57.6	-42.6	178.8	-168.1	-174	-51.3	-178.1	4.6	112.2	P454 Q455 A460 F461	P454-R458 WeakPolarHBondContact O-CB 3.49Å; P454-R458 PolarHBondContact O-N 3.31Å; Q455-R458 PolarHBondContact O-N 3.38Å; Q455-R458 VanDerWaalsContact O-N 3.12Å; R458-A460 VanDerWaalsContact C-N 3.28Å; R458-A460 PolarHBondContact O-N 2.95Å; R458-F461 PolarHBondContact O-N 3.22Å; R458-F461 VanDerWaalsContact O-O 3.11Å
459	E	94.5	Very high	95.3	Very high	108 Å²	108	62.8 Å²	62.8	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-25.4	179.3	-71.3	172.8	-173.9	0	0	113.2	Q455 T457 F461 K468	Q455-E459 HydrophobicContact CG-CG 4.45Å; Q455-E459 VanDerWaalsContact CG-OE1 3.28Å; Q455-E459 WeakPolarHBondContact CG-OE1 2.96Å; Q455-E459 PolarHBondContact NE2-OE1 3.44Å; Q455-E459 WeakPolarHBondContact O-CG 3.29Å; Q455-E459 PolarHBondContact O-N 2.97Å; T457-E459 VanDerWaalsContact C-N 3.29Å; T457-E459 PolarHBondContact O-N 3.08Å; E459-F461 VanDerWaalsContact C-N 3.31Å; E459-K468 WeakPolarHBondContact O-CE 3.49Å; E459-K468 PolarHBondContact O-NZ 3.49Å
460	A	94.4	Very high	95	Very high	13 Å²	13	60.8 Å²	60.8	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-77.8	-15.7	177.1	0	0	0	0	0	113.6	Y450 E456 T457 R458 F467 K468	Y450-A460 HydrophobicContact CE2-CB 3.75Å; E456-A460 VanDerWaalsContact O-CB 3.28Å; E456-A460 WeakPolarHBondContact O-CB 3.24Å; E456-A460 PolarHBondContact O-N 2.77Å; T457-A460 PolarHBondContact O-N 2.91Å; T457-A460 VanDerWaalsContact O-N 3.08Å; R458-A460 VanDerWaalsContact C-N 3.28Å; R458-A460 PolarHBondContact O-N 2.95Å; A460-F467 HydrophobicContact CB-CD2 4.26Å; A460-F467 HydrophobicContact CB-CE2 3.95Å; A460-K468 WeakPolarHBondContact O-CB 3.25Å; A460-K468 PolarHBondContact O-N 2.83Å
461	F	96.9	Very high	94.7	Very high	42 Å²	42	60.5 Å²	60.5	18%	0.184	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-107.9	151.1	176.8	-69.7	-88.8	0	0	0	112	V446 F447 T457 R458 E459 W466 F467 K468	V446-F461 HydrophobicContact CG1-CE1 3.8Å; V446-F461 HydrophobicContact CG1-CZ 3.84Å; F447-F461 HydrophobicContact CD1-CE2 4.39Å; F447-F461 AromaticContact CD1-CZ 3.93Å; F447-F461 HydrophobicContact CD1-CZ 3.93Å; F447-F461 AromaticContact CE1-CE2 3.46Å; F447-F461 HydrophobicContact CE1-CE2 3.46Å; F447-F461 VanDerWaalsContact CE1-CE2 3.46Å; F447-F461 AromaticContact CE1-CZ 3.35Å; F447-F461 HydrophobicContact CE1-CZ 3.35Å; F447-F461 AromaticContact CZ-CE2 3.83Å; F447-F461 HydrophobicContact CZ-CE2 3.83Å; F447-F461 HydrophobicContact CZ-CZ 4.18Å; T457-F461 HydrophobicContact CG2-CD2 4.38Å; T457-F461 HydrophobicContact CG2-CE2 4.24Å; T457-F461 VanDerWaalsContact O-CD2 3.29Å; T457-F461 WeakPolarHBondContact O-CD2 3.42Å; T457-F461 PolarHBondContact O-N 2.81Å; R458-F461 PolarHBondContact O-N 3.22Å; R458-F461 VanDerWaalsContact O-O 3.11Å; E459-F461 VanDerWaalsContact C-N 3.31Å; F461-W466 CarbonylContact C-O 3.55Å; F461-W466 VanDerWaalsContact CA-O 3.25Å; F461-W466 WeakPolarHBondContact CA-O 3.38Å; F461-F467 HydrophobicContact CD1-CB 4.08Å; F461-F467 HydrophobicContact CE1-CB 3.72Å; F461-F467 HydrophobicContact CE1-CD2 4.18Å; F461-F467 HydrophobicContact CE1-CG 4.43Å; F461-F467 HydrophobicContact CE2-CD2 4.28Å; F461-F467 HydrophobicContact CZ-CB 4.34Å; F461-F467 HydrophobicContact CZ-CD2 4.01Å; F461-K468 WeakPolarHBondContact O-CE 3.33Å; F461-K468 PolarHBondContact O-NZ 3.47Å
462	T	95.1	Very high	94.4	Very high	27 Å²	27	59.3 Å²	59.3	17%	0.166	31%	0.307	C	S	.	.			trans	-80.1	160.9	163.6	63.1	0	0	0	0	109.8	L440 D464 G465 W466 K468	L440-T462 HydrophobicContact CD1-CG2 4.11Å; T462-D464 WeakPolarHBondContact CB-OD1 3.28Å; T462-D464 PolarHBondContact O-N 2.98Å; T462-D464 VanDerWaalsContact O-N 3.17Å; T462-D464 PolarHBondContact OG1-OD1 3.26Å; T462-G465 PolarHBondContact O-N 3.31Å; T462-G465 PolarHBondContact OG1-N 2.97Å; T462-W466 HydrophobicContact CG2-CB 4.19Å; T462-W466 PolarHBondContact N-O 2.81Å; T462-W466 VanDerWaalsContact OG1-CB 3.32Å; T462-W466 WeakPolarHBondContact OG1-CB 3.43Å; T462-W466 PolarHBondContact OG1-N 3.46Å; T462-W466 PolarHBondContact OG1-O 2.86Å; T462-K468 HydrophobicContact CG2-CG 4.35Å
463	D	92.3	Very high	94.4	Very high	184 Å²	184	55 Å²	55	98%	0.984	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.3	178.6	-63.6	-26.8	0	0	0	112.7	G465	D463-G465 VanDerWaalsContact C-N 3.33Å
464	D	92.7	Very high	94.4	Very high	82 Å²	82	53 Å²	53	44%	0.439	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	12.8	175.4	70.3	-32.6	0	0	0	114	R407 T462 W466	R407-D464 IonicContact CZ-OD2 3.2Å; R407-D464 IonicContact NH1-OD1 3.5Å; R407-D464 IonicContact NH1-OD2 3.82Å; R407-D464 PolarHBondContact NH1-OD2 3.14Å; R407-D464 IonicContact NH2-OD2 3.85Å; T462-D464 WeakPolarHBondContact CB-OD1 3.28Å; T462-D464 PolarHBondContact O-N 2.98Å; T462-D464 VanDerWaalsContact O-N 3.17Å; T462-D464 PolarHBondContact OG1-OD1 3.26Å; D464-W466 VanDerWaalsContact CG-CD1 3.45Å; D464-W466 VanDerWaalsContact OD2-CD1 3.25Å; D464-W466 PolarHBondContact OD2-NE1 2.96Å
465	G	94.6	Very high	94.4	Very high	36 Å²	36	50.1 Å²	50.1	37%	0.371	26%	0.255	S	S	.	.	S	Bend	trans	86.3	21.6	165.4	0	0	0	0	0	116.1	T462 D463	T462-G465 PolarHBondContact O-N 3.31Å; T462-G465 PolarHBondContact OG1-N 2.97Å; D463-G465 VanDerWaalsContact C-N 3.33Å
466	W	97.4	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.			trans	-91.7	134	173.9	-66.6	78.1	0	0	0	111.6	E405 V406 R407 E420 L440 R442 F461 T462 D464	E405-W466 HydrophobicContact CB-CH2 3.67Å; E405-W466 HydrophobicContact CB-CZ3 4.05Å; E405-W466 WeakPolarHBondContact O-CZ3 3.33Å; V406-W466 VanDerWaalsContact C-CZ3 3.49Å; R407-W466 HydrophobicContact CB-CD2 4.34Å; R407-W466 HydrophobicContact CB-CE3 3.94Å; R407-W466 HydrophobicContact CB-CH2 3.77Å; R407-W466 HydrophobicContact CB-CZ2 4.19Å; R407-W466 HydrophobicContact CB-CZ3 3.65Å; R407-W466 VanDerWaalsContact NH1-NE1 3.12Å; R407-W466 VanDerWaalsContact NH2-NE1 3.13Å; E420-W466 HydrophobicContact CG-CH2 4.23Å; E420-W466 HydrophobicContact CG-CZ2 4.43Å; L440-W466 HydrophobicContact CB-CB 3.96Å; L440-W466 HydrophobicContact CB-CD2 4.36Å; L440-W466 HydrophobicContact CB-CE3 3.86Å; L440-W466 HydrophobicContact CB-CG 4.44Å; L440-W466 HydrophobicContact CD1-CB 4.12Å; R442-W466 HydrophobicContact CB-CD2 3.88Å; R442-W466 HydrophobicContact CB-CE3 3.66Å; R442-W466 HydrophobicContact CB-CG 4.49Å; R442-W466 HydrophobicContact CB-CH2 4.31Å; R442-W466 HydrophobicContact CB-CZ2 4.5Å; R442-W466 HydrophobicContact CB-CZ3 3.87Å; F461-W466 CarbonylContact C-O 3.55Å; F461-W466 VanDerWaalsContact CA-O 3.25Å; F461-W466 WeakPolarHBondContact CA-O 3.38Å; T462-W466 HydrophobicContact CG2-CB 4.19Å; T462-W466 PolarHBondContact N-O 2.81Å; T462-W466 VanDerWaalsContact OG1-CB 3.32Å; T462-W466 WeakPolarHBondContact OG1-CB 3.43Å; T462-W466 PolarHBondContact OG1-N 3.46Å; T462-W466 PolarHBondContact OG1-O 2.86Å; D464-W466 VanDerWaalsContact CG-CD1 3.45Å; D464-W466 VanDerWaalsContact OD2-CD1 3.25Å; D464-W466 PolarHBondContact OD2-NE1 2.96Å
467	F	97.9	Very high	94.2	Very high	1 Å²	1	52 Å²	52	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.4	172.3	177.8	-105.8	0	0	0	110.7	M377 E379 I380 L440 V441 V446 F447 A460 F461 T469	M377-F467 HydrophobicContact CE-CE1 3.73Å; M377-F467 HydrophobicContact CE-CZ 3.9Å; M377-F467 HydrophobicContact SD-CE1 3.77Å; E379-F467 HydrophobicContact CB-CE1 3.78Å; E379-F467 HydrophobicContact CB-CE2 3.99Å; E379-F467 HydrophobicContact CB-CZ 3.43Å; E379-F467 VanDerWaalsContact CB-CZ 3.43Å; E379-F467 HydrophobicContact CG-CE1 4.42Å; E379-F467 HydrophobicContact CG-CE2 4.15Å; E379-F467 HydrophobicContact CG-CZ 3.65Å; I380-F467 HydrophobicContact CG2-CD1 3.41Å; I380-F467 VanDerWaalsContact CG2-CD1 3.41Å; I380-F467 HydrophobicContact CG2-CE1 3.78Å; I380-F467 HydrophobicContact CG2-CG 4.22Å; L440-F467 CarbonylContact C-O 3.56Å; L440-F467 VanDerWaalsContact CA-O 3.23Å; L440-F467 WeakPolarHBondContact CA-O 3.42Å; V441-F467 PolarHBondContact N-O 2.9Å; V441-F467 WeakPolarHBondContact O-CB 3.14Å; V441-F467 PolarHBondContact O-N 3.42Å; V446-F467 HydrophobicContact CG1-CB 4.07Å; F447-F467 HydrophobicContact CD1-CD2 4.43Å; F447-F467 HydrophobicContact CD1-CE2 4.45Å; F447-F467 AromaticContact CE1-CD2 3.55Å; F447-F467 HydrophobicContact CE1-CD2 3.55Å; F447-F467 AromaticContact CE1-CE2 3.5Å; F447-F467 HydrophobicContact CE1-CE2 3.5Å; F447-F467 VanDerWaalsContact CE1-CE2 3.5Å; F447-F467 HydrophobicContact CE1-CG 4.48Å; F447-F467 HydrophobicContact CE1-CZ 4.43Å; F447-F467 HydrophobicContact CZ-CD2 4.29Å; F447-F467 AromaticContact CZ-CE2 3.9Å; F447-F467 HydrophobicContact CZ-CE2 3.9Å; A460-F467 HydrophobicContact CB-CD2 4.26Å; A460-F467 HydrophobicContact CB-CE2 3.95Å; F461-F467 HydrophobicContact CD1-CB 4.08Å; F461-F467 HydrophobicContact CE1-CB 3.72Å; F461-F467 HydrophobicContact CE1-CD2 4.18Å; F461-F467 HydrophobicContact CE1-CG 4.43Å; F461-F467 HydrophobicContact CE2-CD2 4.28Å; F461-F467 HydrophobicContact CZ-CB 4.34Å; F461-F467 HydrophobicContact CZ-CD2 4.01Å; F467-T469 HydrophobicContact CD1-CG2 4.14Å; F467-T469 HydrophobicContact CE1-CG2 4.3Å; F467-T469 PolarHBondContact O-N 3.14Å
468	K	96	Very high	94.1	Very high	68 Å²	68	52.9 Å²	52.9	30%	0.296	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.6	175.7	-60.7	168.3	-143.8	169.8	0	109.3	L440 E459 A460 F461 T462 G470	L440-K468 HydrophobicContact CD2-CB 4.07Å; L440-K468 HydrophobicContact CD2-CG 3.74Å; E459-K468 WeakPolarHBondContact O-CE 3.49Å; E459-K468 PolarHBondContact O-NZ 3.49Å; A460-K468 WeakPolarHBondContact O-CB 3.25Å; A460-K468 PolarHBondContact O-N 2.83Å; F461-K468 WeakPolarHBondContact O-CE 3.33Å; F461-K468 PolarHBondContact O-NZ 3.47Å; T462-K468 HydrophobicContact CG2-CG 4.35Å; K468-G470 VanDerWaalsContact C-N 3.27Å; K468-G470 PolarHBondContact O-N 3.01Å
469	T	93.7	Very high	94	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-23.2	-177	65.8	0	0	0	0	112.7	Y375 M377 I380 L439 V441 F467 D471	Y375-T469 WeakPolarHBondContact OH-CB 3.37Å; M377-T469 HydrophobicContact SD-CG2 4.18Å; I380-T469 HydrophobicContact CD1-CG2 4.49Å; L439-T469 HydrophobicContact CG-CG2 4.39Å; L439-T469 WeakPolarHBondContact O-CB 3.23Å; L439-T469 VanDerWaalsContact O-CG2 3.28Å; L439-T469 WeakPolarHBondContact O-CG2 3.4Å; L439-T469 PolarHBondContact O-N 3.38Å; L439-T469 PolarHBondContact O-OG1 3.25Å; V441-T469 HydrophobicContact CB-CG2 4.43Å; V441-T469 HydrophobicContact CG2-CG2 3.7Å; F467-T469 HydrophobicContact CD1-CG2 4.14Å; F467-T469 HydrophobicContact CE1-CG2 4.3Å; F467-T469 PolarHBondContact O-N 3.14Å; T469-D471 PolarHBondContact O-N 2.79Å; T469-D471 PolarHBondContact OG1-N 2.97Å; T469-D471 VanDerWaalsContact OG1-N 3.1Å
470	G	90.1	Very high	94.1	Very high	24 Å²	24	39.1 Å²	39.1	25%	0.247	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	5	-168.8	0	0	0	0	0	114.1	E438 K468 S486	E438-G470 WeakPolarHBondContact OE1-CA 3.49Å; E438-G470 PolarHBondContact OE1-N 2.97Å; K468-G470 VanDerWaalsContact C-N 3.27Å; K468-G470 PolarHBondContact O-N 3.01Å; G470-S486 PolarHBondContact O-N 2.86Å
471	D	90.6	Very high	94.1	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.1	175.3	-65.1	-33.6	0	0	0	110.2	Y375 L439 T469 I482 R485	Y375-D471 VanDerWaalsContact CE2-OD2 3.29Å; Y375-D471 WeakPolarHBondContact CE2-OD2 3.21Å; Y375-D471 PolarHBondContact OH-OD2 2.85Å; L439-D471 PolarHBondContact N-O 3.27Å; T469-D471 PolarHBondContact O-N 2.79Å; T469-D471 PolarHBondContact OG1-N 2.97Å; T469-D471 VanDerWaalsContact OG1-N 3.1Å; D471-I482 HydrophobicContact CB-CG2 4.41Å; D471-R485 WeakPolarHBondContact OD1-CD 3.49Å; D471-R485 WeakPolarHBondContact OD1-CG 3.25Å; D471-R485 IonicContact OD1-NE 3Å
472	T	91	Very high	93.7	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.4	173.5	-55	0	0	0	0	109.3	E436 G437 L483 G484 S486 I490	E436-T472 HydrophobicContact CB-CG2 4.08Å; G437-T472 CarbonylContact O-C 3.55Å; G437-T472 WeakPolarHBondContact O-CA 3.21Å; T472-L483 HydrophobicContact CG2-CB 4.31Å; T472-L483 HydrophobicContact CG2-CD1 4.19Å; T472-L483 PolarHBondContact O-N 2.89Å; T472-G484 PolarHBondContact N-O 3.02Å; T472-S486 PolarHBondContact OG1-OG 3.42Å; T472-I490 HydrophobicContact CG2-CD1 4.39Å
473	A	95	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.5	177.8	0	0	0	0	0	112.3	I408 E436 G437 L439 W481 I482	I408-A473 HydrophobicContact CD1-CB 4.26Å; E436-A473 WeakPolarHBondContact CA-O 3.29Å; G437-A473 PolarHBondContact N-O 3.17Å; G437-A473 PolarHBondContact O-N 2.99Å; L439-A473 HydrophobicContact CB-CB 3.88Å; L439-A473 HydrophobicContact CD1-CB 4.24Å; L439-A473 HydrophobicContact CD2-CB 4.43Å; L439-A473 HydrophobicContact CG-CB 4.42Å; A473-W481 CarbonylContact C-O 3.58Å; A473-W481 WeakPolarHBondContact CA-O 3.14Å; A473-W481 WeakPolarHBondContact CB-O 3.28Å; A473-I482 HydrophobicContact CB-CD1 4.05Å
474	V	94.6	Very high	92.6	Very high	10 Å²	10	30.4 Å²	30.4	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.5	168.4	59.4	0	0	0	0	109	G434 E436 K476 W481 L483	G434-V474 WeakPolarHBondContact O-CG2 3.29Å; E436-V474 HydrophobicContact CB-CB 4.45Å; V474-K476 HydrophobicContact CG2-CB 4.42Å; V474-W481 HydrophobicContact CG1-CB 3.8Å; V474-W481 HydrophobicContact CG1-CG 4.35Å; V474-W481 PolarHBondContact N-O 2.82Å; V474-W481 PolarHBondContact O-N 3.37Å; V474-L483 HydrophobicContact CB-CD1 4.41Å; V474-L483 HydrophobicContact CG1-CD1 4.12Å; V474-L483 HydrophobicContact CG1-CD2 4.07Å; V474-L483 HydrophobicContact CG1-CG 4.22Å
475	Y	96.4	Very high	91.9	Very high	35 Å²	35	30.1 Å²	30.1	14%	0.137	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.5	167.7	-179.2	-104.1	0	0	0	108.4	L399 T426 I428 G478 V479 Y480	L399-Y475 HydrophobicContact CD2-CE2 4.5Å; T426-Y475 VanDerWaalsContact CB-CZ 3.49Å; T426-Y475 HydrophobicContact CG2-CD1 3.62Å; T426-Y475 HydrophobicContact CG2-CD2 3.95Å; T426-Y475 HydrophobicContact CG2-CE1 3.52Å; T426-Y475 HydrophobicContact CG2-CE2 3.86Å; T426-Y475 HydrophobicContact CG2-CG 3.82Å; I428-Y475 HydrophobicContact CD1-CD1 3.56Å; I428-Y475 HydrophobicContact CD1-CE1 3.82Å; I428-Y475 HydrophobicContact CG1-CD1 3.74Å; I428-Y475 HydrophobicContact CG1-CE1 4.03Å; Y475-G478 WeakPolarHBondContact OH-CA 3.12Å; Y475-V479 WeakPolarHBondContact CA-O 3.42Å; Y475-V479 WeakPolarHBondContact CD2-O 3.4Å; Y475-Y480 HydrophobicContact CD2-CD1 4.19Å; Y475-Y480 AromaticContact CD2-CD2 3.62Å; Y475-Y480 HydrophobicContact CD2-CD2 3.62Å; Y475-Y480 HydrophobicContact CD2-CE1 4.05Å; Y475-Y480 AromaticContact CD2-CE2 3.44Å; Y475-Y480 HydrophobicContact CD2-CE2 3.44Å; Y475-Y480 VanDerWaalsContact CD2-CE2 3.44Å; Y475-Y480 AromaticContact CD2-CG 3.99Å; Y475-Y480 HydrophobicContact CD2-CG 3.99Å; Y475-Y480 AromaticContact CD2-CZ 3.68Å; Y475-Y480 HydrophobicContact CE2-CD2 4.02Å; Y475-Y480 AromaticContact CE2-CE2 3.69Å; Y475-Y480 HydrophobicContact CE2-CE2 3.69Å; Y475-Y480 HydrophobicContact CG-CE1 4.42Å; Y475-Y480 HydrophobicContact CG-CE2 4.45Å
476	K	92.7	Very high	90.8	Very high	89 Å²	89	30.1 Å²	30.1	39%	0.387	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.5	178.8	64.9	173.9	-174	175.5	0	109.4	V474 G478 V479 W481	V474-K476 HydrophobicContact CG2-CB 4.42Å; K476-G478 PolarHBondContact O-N 3.25Å; K476-G478 VanDerWaalsContact O-N 3.15Å; K476-V479 PolarHBondContact N-O 3.12Å; K476-V479 VanDerWaalsContact N-O 3.09Å; K476-V479 PolarHBondContact O-N 2.87Å; K476-V479 VanDerWaalsContact O-N 3.08Å; K476-W481 VanDerWaalsContact CG-CD1 3.45Å; K476-W481 HydrophobicContact CG-CG 4.37Å; K476-W481 VanDerWaalsContact CG-NE1 3.3Å; K476-W481 PolarHBondContact O-NE1 3.33Å
477	D	90.3	Very high	89.4	Confident	135 Å²	135	33.9 Å²	33.9	72%	0.722	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.7	177.8	-48.4	-44.2	0	0	0	113.3	V479	D477-V479 VanDerWaalsContact C-N 3.32Å; D477-V479 PolarHBondContact O-N 3.1Å
478	G	92.9	Very high	87.9	Confident	35 Å²	35	35.5 Å²	35.5	36%	0.361	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	6.1	177.9	0	0	0	0	0	115.5	L399 Y475 K476	L399-G478 VanDerWaalsContact CD2-O 3.26Å; L399-G478 WeakPolarHBondContact CD2-O 3.42Å; Y475-G478 WeakPolarHBondContact OH-CA 3.12Å; K476-G478 PolarHBondContact O-N 3.25Å; K476-G478 VanDerWaalsContact O-N 3.15Å
479	V	95.3	Very high	86.9	Confident	15 Å²	15	33.1 Å²	33.1	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.3	-177.6	-69.5	0	0	0	0	113.2	I393 A396 Y475 K476 D477 W481	I393-V479 HydrophobicContact CD1-CB 4.41Å; I393-V479 HydrophobicContact CD1-CG1 3.79Å; I393-V479 HydrophobicContact CD1-CG2 3.73Å; I393-V479 HydrophobicContact CG2-CG2 4.45Å; A396-V479 HydrophobicContact CB-CB 4.31Å; A396-V479 HydrophobicContact CB-CG2 3.84Å; Y475-V479 WeakPolarHBondContact CA-O 3.42Å; Y475-V479 WeakPolarHBondContact CD2-O 3.4Å; K476-V479 PolarHBondContact N-O 3.12Å; K476-V479 VanDerWaalsContact N-O 3.09Å; K476-V479 PolarHBondContact O-N 2.87Å; K476-V479 VanDerWaalsContact O-N 3.08Å; D477-V479 VanDerWaalsContact C-N 3.32Å; D477-V479 PolarHBondContact O-N 3.1Å; V479-W481 HydrophobicContact CG2-CZ2 4.32Å
480	Y	96.8	Very high	86.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.4	178.2	-69.3	-97.5	0	0	0	111.8	L384 V397 G398 L399 P400 V406 I408 T426 Y475	L384-Y480 HydrophobicContact CD1-CG 4.22Å; L384-Y480 HydrophobicContact CD2-CD2 4.1Å; L384-Y480 HydrophobicContact CD2-CG 4.13Å; V397-Y480 WeakPolarHBondContact CG2-O 3.37Å; V397-Y480 PolarHBondContact N-O 3.32Å; G398-Y480 WeakPolarHBondContact O-CB 3.19Å; G398-Y480 WeakPolarHBondContact O-CD2 3.49Å; G398-Y480 PolarHBondContact O-N 2.94Å; L399-Y480 HydrophobicContact CD2-CD2 4.47Å; P400-Y480 HydrophobicContact CG-CE2 3.92Å; V406-Y480 HydrophobicContact CG2-CD1 4.27Å; V406-Y480 HydrophobicContact CG2-CE1 3.44Å; V406-Y480 VanDerWaalsContact CG2-CE1 3.44Å; V406-Y480 HydrophobicContact CG2-CE2 4.03Å; V406-Y480 WeakPolarHBondContact CG2-OH 3.45Å; I408-Y480 HydrophobicContact CD1-CD1 4.05Å; I408-Y480 HydrophobicContact CD1-CE1 3.94Å; I408-Y480 HydrophobicContact CG1-CE1 4.25Å; T426-Y480 HydrophobicContact CG2-CE2 4.41Å; T426-Y480 WeakPolarHBondContact CG2-OH 3.38Å; T426-Y480 WeakPolarHBondContact OG1-CE2 3.5Å; T426-Y480 PolarHBondContact OG1-OH 2.87Å; Y475-Y480 HydrophobicContact CD2-CD1 4.19Å; Y475-Y480 AromaticContact CD2-CD2 3.62Å; Y475-Y480 HydrophobicContact CD2-CD2 3.62Å; Y475-Y480 HydrophobicContact CD2-CE1 4.05Å; Y475-Y480 AromaticContact CD2-CE2 3.44Å; Y475-Y480 HydrophobicContact CD2-CE2 3.44Å; Y475-Y480 VanDerWaalsContact CD2-CE2 3.44Å; Y475-Y480 AromaticContact CD2-CG 3.99Å; Y475-Y480 HydrophobicContact CD2-CG 3.99Å; Y475-Y480 AromaticContact CD2-CZ 3.68Å; Y475-Y480 HydrophobicContact CE2-CD2 4.02Å; Y475-Y480 AromaticContact CE2-CE2 3.69Å; Y475-Y480 HydrophobicContact CE2-CE2 3.69Å; Y475-Y480 HydrophobicContact CG-CE1 4.42Å; Y475-Y480 HydrophobicContact CG-CE2 4.45Å
481	W	93.4	Very high	85.5	Confident	39 Å²	39	32.3 Å²	32.3	15%	0.148	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132	176.7	-57.8	75.3	0	0	0	109.5	I393 A394 G395 A396 A473 V474 K476 V479	I393-W481 HydrophobicContact CG2-CH2 3.74Å; I393-W481 HydrophobicContact CG2-CZ2 3.69Å; A394-W481 WeakPolarHBondContact O-CH2 3.49Å; A394-W481 VanDerWaalsContact O-CZ3 3.32Å; A394-W481 WeakPolarHBondContact O-CZ3 3.25Å; G395-W481 VanDerWaalsContact C-CE3 3.49Å; G395-W481 VanDerWaalsContact C-CZ3 3.45Å; G395-W481 VanDerWaalsContact O-CE3 3.29Å; A396-W481 HydrophobicContact CB-CD2 3.85Å; A396-W481 HydrophobicContact CB-CE3 4.04Å; A396-W481 HydrophobicContact CB-CG 4.43Å; A396-W481 HydrophobicContact CB-CH2 4.1Å; A396-W481 HydrophobicContact CB-CZ2 3.91Å; A396-W481 HydrophobicContact CB-CZ3 4.16Å; A473-W481 CarbonylContact C-O 3.58Å; A473-W481 WeakPolarHBondContact CA-O 3.14Å; A473-W481 WeakPolarHBondContact CB-O 3.28Å; V474-W481 HydrophobicContact CG1-CB 3.8Å; V474-W481 HydrophobicContact CG1-CG 4.35Å; V474-W481 PolarHBondContact N-O 2.82Å; V474-W481 PolarHBondContact O-N 3.37Å; K476-W481 VanDerWaalsContact CG-CD1 3.45Å; K476-W481 HydrophobicContact CG-CG 4.37Å; K476-W481 VanDerWaalsContact CG-NE1 3.3Å; K476-W481 PolarHBondContact O-NE1 3.33Å; V479-W481 HydrophobicContact CG2-CZ2 4.32Å
482	I	89.9	Confident	84.8	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.4	172.7	-53.3	-58.6	0	0	0	108.6	Y375 L384 V397 L439 D471 A473	Y375-I482 HydrophobicContact CD1-CD1 4.4Å; Y375-I482 HydrophobicContact CD2-CD1 3.99Å; Y375-I482 HydrophobicContact CD2-CG1 3.71Å; Y375-I482 HydrophobicContact CE1-CD1 4.48Å; Y375-I482 HydrophobicContact CE2-CD1 4.06Å; Y375-I482 HydrophobicContact CE2-CG1 4.11Å; Y375-I482 HydrophobicContact CG-CD1 4.15Å; Y375-I482 HydrophobicContact CG-CG1 4.09Å; L384-I482 HydrophobicContact CD1-CD1 4.41Å; V397-I482 HydrophobicContact CB-CG1 4.46Å; V397-I482 HydrophobicContact CG1-CG1 3.92Å; V397-I482 HydrophobicContact CG2-CD1 4.14Å; V397-I482 HydrophobicContact CG2-CG1 3.74Å; L439-I482 HydrophobicContact CD2-CD1 3.81Å; D471-I482 HydrophobicContact CB-CG2 4.41Å; A473-I482 HydrophobicContact CB-CD1 4.05Å
483	L	83.8	Confident	84	Confident	27 Å²	27	38.8 Å²	38.8	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-14.2	179.1	-55.6	-176.9	0	0	0	112.1	E436 T472 V474 I490 S499	E436-L483 HydrophobicContact CB-CD1 3.79Å; E436-L483 WeakPolarHBondContact OE2-CD1 3.26Å; T472-L483 HydrophobicContact CG2-CB 4.31Å; T472-L483 HydrophobicContact CG2-CD1 4.19Å; T472-L483 PolarHBondContact O-N 2.89Å; V474-L483 HydrophobicContact CB-CD1 4.41Å; V474-L483 HydrophobicContact CG1-CD1 4.12Å; V474-L483 HydrophobicContact CG1-CD2 4.07Å; V474-L483 HydrophobicContact CG1-CG 4.22Å; L483-I490 HydrophobicContact CB-CD1 4.47Å; L483-S499 PolarHBondContact O-OG 3.36Å
484	G	80.7	Confident	82.2	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.8	179.8	173.5	0	0	0	0	0	112.8	T472 S486 L501	T472-G484 PolarHBondContact N-O 3.02Å; G484-S486 PolarHBondContact O-N 3.45Å; G484-L501 VanDerWaalsContact CA-CD1 3.44Å
485	R	77.6	Confident	80.2	Confident	76 Å²	76	44.1 Å²	44.1	29%	0.287	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.7	177.8	-71.2	-104.8	175	145.5	-3.9	110.9	T225 D471 S487 V488 D489 I490	T225-R485 PolarHBondContact OG1-NH1 2.92Å; D471-R485 WeakPolarHBondContact OD1-CD 3.49Å; D471-R485 WeakPolarHBondContact OD1-CG 3.25Å; D471-R485 IonicContact OD1-NE 3Å; R485-S487 PolarHBondContact O-N 2.78Å; R485-V488 HydrophobicContact CB-CG2 3.55Å; R485-V488 HydrophobicContact CG-CG2 4.13Å; R485-V488 PolarHBondContact O-N 3.32Å; R485-V488 VanDerWaalsContact O-N 3.15Å; R485-D489 HydrophobicContact CB-CB 4.47Å; R485-D489 WeakPolarHBondContact CB-OD2 3.48Å; R485-D489 PolarHBondContact N-OD2 3.29Å; R485-D489 PolarHBondContact O-N 2.84Å; R485-I490 PolarHBondContact O-N 2.94Å
486	S	71.4	Confident	78.6	Confident	36 Å²	36	48.4 Å²	48.4	25%	0.252	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-29	173.3	-89.7	0	0	0	0	113.4	N411 G470 T472 G484	N411-S486 PolarHBondContact ND2-OG 2.83Å; G470-S486 PolarHBondContact O-N 2.86Å; T472-S486 PolarHBondContact OG1-OG 3.42Å; G484-S486 PolarHBondContact O-N 3.45Å
487	S	67.5	Low	77.4	Confident	78 Å²	78	49.6 Å²	49.6	55%	0.545	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-21.7	-176.3	56.4	0	0	0	0	115.5	R485	R485-S487 PolarHBondContact O-N 2.78Å
488	V	66.6	Low	76.6	Confident	35 Å²	35	43.2 Å²	43.2	21%	0.212	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-28.9	-171.5	-65	0	0	0	0	114.8	R485 K581	R485-V488 HydrophobicContact CB-CG2 3.55Å; R485-V488 HydrophobicContact CG-CG2 4.13Å; R485-V488 PolarHBondContact O-N 3.32Å; R485-V488 VanDerWaalsContact O-N 3.15Å; V488-K581 HydrophobicContact CG1-CD 4.11Å; V488-K581 HydrophobicContact CG1-CG 3.61Å
489	D	74.7	Confident	76.1	Confident	18 Å²	18	41.9 Å²	41.9	10%	0.096	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.5	-178.5	-61.7	-50	0	0	0	112.5	R485 A500 L501 K580	R485-D489 HydrophobicContact CB-CB 4.47Å; R485-D489 WeakPolarHBondContact CB-OD2 3.48Å; R485-D489 PolarHBondContact N-OD2 3.29Å; R485-D489 PolarHBondContact O-N 2.84Å; D489-A500 HydrophobicContact CB-CB 4.29Å; D489-A500 VanDerWaalsContact O-CB 3.31Å; D489-A500 WeakPolarHBondContact O-CB 3.36Å; D489-A500 PolarHBondContact O-N 3.12Å; D489-L501 HydrophobicContact CB-CG 4.5Å; D489-K580 WeakPolarHBondContact OD1-CD 3.41Å; D489-K580 WeakPolarHBondContact OD1-CE 3.48Å; D489-K580 IonicContact OD1-NZ 3.72Å; D489-K580 PolarHBondContact OD1-NZ 3.25Å
490	I	75.9	Confident	75.6	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.7	173.9	-55.1	-57.3	0	0	0	108.9	T472 L483 R485 K497	T472-I490 HydrophobicContact CG2-CD1 4.39Å; L483-I490 HydrophobicContact CB-CD1 4.47Å; R485-I490 PolarHBondContact O-N 2.94Å; I490-K497 HydrophobicContact CG2-CB 4.05Å; I490-K497 HydrophobicContact CG2-CG 4.33Å
491	I	79.4	Confident	74.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.8	179.3	-55.7	174.8	0	0	0	108.7	S493 I498 A500 V518 Q528 V530	I491-S493 PolarHBondContact O-N 2.8Å; I491-I498 HydrophobicContact CB-CB 4.24Å; I491-I498 PolarHBondContact N-O 2.82Å; I491-I498 PolarHBondContact O-N 3.09Å; I491-A500 HydrophobicContact CD1-CB 4.13Å; I491-A500 HydrophobicContact CG1-CB 4.47Å; I491-V518 HydrophobicContact CD1-CG1 3.69Å; I491-Q528 HydrophobicContact CG2-CB 3.75Å; I491-V530 HydrophobicContact CD1-CG1 4.31Å; I491-V530 HydrophobicContact CD1-CG2 4.34Å; I491-V530 HydrophobicContact CG2-CG2 4.2Å
492	K	75.1	Confident	74.1	Confident	135 Å²	135	43.8 Å²	43.8	59%	0.587	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	91.4	177.2	-61.4	178	-173.5	176	0	108.8	Y496 Q528	K492-Y496 WeakPolarHBondContact CA-O 3.28Å; K492-Q528 WeakPolarHBondContact O-CB 3.27Å; K492-Q528 PolarHBondContact O-N 2.99Å
493	S	73.6	Confident	73.8	Confident	18 Å²	18	43 Å²	43	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.3	-177.1	-165.5	0	0	0	0	110.3	I491 G495 Y496 W526 Q528	I491-S493 PolarHBondContact O-N 2.8Å; S493-G495 VanDerWaalsContact C-N 3.3Å; S493-G495 PolarHBondContact O-N 2.96Å; S493-Y496 PolarHBondContact N-O 3.4Å; S493-Y496 WeakPolarHBondContact O-CB 3.43Å; S493-Y496 PolarHBondContact O-N 3.5Å; S493-W526 WeakPolarHBondContact CA-O 3.36Å; S493-Q528 WeakPolarHBondContact CA-O 3.4Å; S493-Q528 WeakPolarHBondContact CB-O 3.5Å; S493-Q528 PolarHBondContact OG-O 3.11Å
494	G	58.3	Low	74	Confident	33 Å²	33	42.8 Å²	42.8	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.3	172.1	0	0	0	0	0	116	Y496 W526	G494-Y496 VanDerWaalsContact C-N 3.27Å; G494-Y496 WeakPolarHBondContact O-CD2 3.45Å; G494-Y496 PolarHBondContact O-N 2.9Å; G494-W526 VanDerWaalsContact CA-CE3 3.42Å; G494-W526 PolarHBondContact N-O 3.45Å
495	G	53	Low	73.9	Confident	88 Å²	88	45.4 Å²	45.4	91%	0.907	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-8.5	-177.2	0	0	0	0	0	114.6	S493	S493-G495 VanDerWaalsContact C-N 3.3Å; S493-G495 PolarHBondContact O-N 2.96Å
496	Y	61.8	Low	74.1	Confident	126 Å²	126	44.8 Å²	44.8	49%	0.494	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.7	174	-61.4	-85	0	0	0	111.6	K492 S493 G494 Y558	K492-Y496 WeakPolarHBondContact CA-O 3.28Å; S493-Y496 PolarHBondContact N-O 3.4Å; S493-Y496 WeakPolarHBondContact O-CB 3.43Å; S493-Y496 PolarHBondContact O-N 3.5Å; G494-Y496 VanDerWaalsContact C-N 3.27Å; G494-Y496 WeakPolarHBondContact O-CD2 3.45Å; G494-Y496 PolarHBondContact O-N 2.9Å; Y496-Y558 AromaticContact CD1-CD2 3.73Å; Y496-Y558 HydrophobicContact CD1-CD2 3.73Å; Y496-Y558 HydrophobicContact CD1-CE2 4.15Å; Y496-Y558 HydrophobicContact CD1-CG 4.02Å; Y496-Y558 HydrophobicContact CE1-CD1 4.34Å; Y496-Y558 HydrophobicContact CE1-CD2 4.23Å; Y496-Y558 HydrophobicContact CE1-CG 4.07Å; Y496-Y558 AromaticContact CG-CD2 3.93Å; Y496-Y558 HydrophobicContact CG-CD2 3.93Å; Y496-Y558 HydrophobicContact CG-CG 4.27Å
497	K	67.1	Low	75	Confident	114 Å²	114	43 Å²	43	50%	0.496	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113	163.1	-66.6	-177.7	-175.3	176	0	107.5	E436 I490	E436-K497 WeakPolarHBondContact OE1-CD 3.08Å; I490-K497 HydrophobicContact CG2-CB 4.05Å; I490-K497 HydrophobicContact CG2-CG 4.33Å
498	I	74.6	Confident	76	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	-173.7	-58.1	169.1	0	0	0	107.8	I491 A500 V503 V530 Y558 I559	I491-I498 HydrophobicContact CB-CB 4.24Å; I491-I498 PolarHBondContact N-O 2.82Å; I491-I498 PolarHBondContact O-N 3.09Å; I498-A500 PolarHBondContact O-N 3.31Å; I498-V503 HydrophobicContact CG2-CG2 3.83Å; I498-V530 HydrophobicContact CD1-CG2 3.63Å; I498-V530 HydrophobicContact CG2-CG2 4.3Å; I498-Y558 WeakPolarHBondContact CD1-O 3.48Å; I498-Y558 HydrophobicContact CG1-CD2 4.42Å; I498-I559 HydrophobicContact CB-CG2 4.49Å; I498-I559 HydrophobicContact CG1-CG2 4.18Å; I498-I559 HydrophobicContact CG2-CB 4.01Å; I498-I559 HydrophobicContact CG2-CG2 3.76Å
499	S	81.6	Confident	76.8	Confident	6 Å²	6	42 Å²	42	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.4	171.7	170.8	0	0	0	0	109.7	L483 L501 E502 V503	L483-S499 PolarHBondContact O-OG 3.36Å; S499-L501 PolarHBondContact O-N 3.27Å; S499-L501 PolarHBondContact OG-N 3.13Å; S499-E502 WeakPolarHBondContact O-CB 3.19Å; S499-E502 PolarHBondContact O-N 3.22Å; S499-E502 PolarHBondContact OG-N 3.02Å; S499-E502 VanDerWaalsContact OG-N 3.11Å; S499-V503 PolarHBondContact O-N 2.94Å
500	A	84.3	Confident	77.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-34.7	171.3	0	0	0	0	0	111.4	D489 I491 I498 E502 V503 E504 V518	D489-A500 HydrophobicContact CB-CB 4.29Å; D489-A500 VanDerWaalsContact O-CB 3.31Å; D489-A500 WeakPolarHBondContact O-CB 3.36Å; D489-A500 PolarHBondContact O-N 3.12Å; I491-A500 HydrophobicContact CD1-CB 4.13Å; I491-A500 HydrophobicContact CG1-CB 4.47Å; I498-A500 PolarHBondContact O-N 3.31Å; A500-E502 VanDerWaalsContact C-N 3.34Å; A500-V503 PolarHBondContact O-N 3.16Å; A500-E504 WeakPolarHBondContact O-CB 3.33Å; A500-E504 WeakPolarHBondContact O-CG 3.08Å; A500-E504 PolarHBondContact O-N 2.91Å; A500-V518 HydrophobicContact CB-CB 3.97Å; A500-V518 HydrophobicContact CB-CG1 3.97Å; A500-V518 WeakPolarHBondContact CB-O 3.42Å
501	L	80.4	Confident	78	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-36.7	176.5	-61.6	-174.8	0	0	0	112	A354 G484 D489 S499 E504 R505	A354-L501 HydrophobicContact CB-CD1 4.31Å; A354-L501 HydrophobicContact CB-CD2 4.39Å; G484-L501 VanDerWaalsContact CA-CD1 3.44Å; D489-L501 HydrophobicContact CB-CG 4.5Å; S499-L501 PolarHBondContact O-N 3.27Å; S499-L501 PolarHBondContact OG-N 3.13Å; L501-E504 VanDerWaalsContact CD2-OE2 3.31Å; L501-E504 WeakPolarHBondContact CD2-OE2 3.12Å; L501-R505 VanDerWaalsContact O-CG 3.24Å; L501-R505 WeakPolarHBondContact O-CG 3.3Å; L501-R505 PolarHBondContact O-N 3.23Å
502	E	78.6	Confident	78.7	Confident	71 Å²	71	46.8 Å²	46.8	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-49.6	174	-179.9	-179	-171.4	0	0	111	S499 A500 E504 R505 H506 I559	S499-E502 WeakPolarHBondContact O-CB 3.19Å; S499-E502 PolarHBondContact O-N 3.22Å; S499-E502 PolarHBondContact OG-N 3.02Å; S499-E502 VanDerWaalsContact OG-N 3.11Å; A500-E502 VanDerWaalsContact C-N 3.34Å; E502-E504 PolarHBondContact O-N 3.39Å; E502-R505 WeakPolarHBondContact O-CB 3.4Å; E502-R505 PolarHBondContact O-N 3.4Å; E502-H506 PolarHBondContact O-CD2 3.33Å; E502-H506 VanDerWaalsContact O-CD2 3.23Å; E502-H506 PolarHBondContact O-N 2.85Å; E502-H506 VanDerWaalsContact O-N 3.14Å; E502-I559 HydrophobicContact CG-CD1 4.32Å
503	V	84.6	Confident	79.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-45.1	177.8	-176.5	0	0	0	0	110.7	I498 S499 A500 R505 H506 L507 V518 V530 M555 I559 P561	I498-V503 HydrophobicContact CG2-CG2 3.83Å; S499-V503 PolarHBondContact O-N 2.94Å; A500-V503 PolarHBondContact O-N 3.16Å; V503-R505 VanDerWaalsContact C-N 3.33Å; V503-R505 PolarHBondContact O-N 3.48Å; V503-H506 PolarHBondContact O-N 2.93Å; V503-L507 HydrophobicContact CG1-CD1 3.86Å; V503-L507 HydrophobicContact CG1-CG 4.12Å; V503-L507 WeakPolarHBondContact O-CB 3.2Å; V503-L507 VanDerWaalsContact O-CG 3.28Å; V503-L507 WeakPolarHBondContact O-CG 3.2Å; V503-L507 PolarHBondContact O-N 3.38Å; V503-V518 HydrophobicContact CB-CB 4.45Å; V503-V518 HydrophobicContact CB-CG1 4.15Å; V503-V518 HydrophobicContact CB-CG2 3.99Å; V503-V518 HydrophobicContact CG1-CG1 4.21Å; V503-V518 HydrophobicContact CG1-CG2 3.72Å; V503-V530 HydrophobicContact CG1-CG1 4.3Å; V503-V530 HydrophobicContact CG2-CG1 4.42Å; V503-M555 HydrophobicContact CG1-SD 4.5Å; V503-I559 HydrophobicContact CG2-CB 3.98Å; V503-I559 WeakPolarHBondContact CG2-O 3.42Å; V503-P561 HydrophobicContact CG1-CG 3.89Å
504	E	88.3	Confident	80.2	Confident	23 Å²	23	43.7 Å²	43.7	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-44.7	175.6	-75.3	164.2	-173.5	0	0	112.2	A500 L501 E502 H506 L507 L508 V516 A517 V518 K580	A500-E504 WeakPolarHBondContact O-CB 3.33Å; A500-E504 WeakPolarHBondContact O-CG 3.08Å; A500-E504 PolarHBondContact O-N 2.91Å; L501-E504 VanDerWaalsContact CD2-OE2 3.31Å; L501-E504 WeakPolarHBondContact CD2-OE2 3.12Å; E502-E504 PolarHBondContact O-N 3.39Å; E504-H506 VanDerWaalsContact C-N 3.33Å; E504-H506 PolarHBondContact O-N 2.74Å; E504-L507 PolarHBondContact O-N 2.85Å; E504-L508 WeakPolarHBondContact O-CB 3.33Å; E504-L508 VanDerWaalsContact O-CG 3.28Å; E504-L508 WeakPolarHBondContact O-CG 3.44Å; E504-L508 PolarHBondContact O-N 3.41Å; E504-V516 HydrophobicContact CB-CG1 4.2Å; E504-V516 HydrophobicContact CG-CG1 4.26Å; E504-A517 WeakPolarHBondContact OE1-CA 3.31Å; E504-V518 HydrophobicContact CG-CB 3.87Å; E504-V518 HydrophobicContact CG-CG2 3.61Å; E504-V518 PolarHBondContact OE1-N 2.79Å; E504-K580 WeakPolarHBondContact OE1-CE 3.44Å; E504-K580 IonicContact OE1-NZ 3.52Å; E504-K580 PolarHBondContact OE1-NZ 3.08Å; E504-K580 IonicContact OE2-NZ 3.61Å
505	R	78.6	Confident	81.7	Confident	56 Å²	56	43.1 Å²	43.1	21%	0.211	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-42.9	177.8	-76.4	170.4	-172.4	152.8	2.9	112	L501 E502 V503	L501-R505 VanDerWaalsContact O-CG 3.24Å; L501-R505 WeakPolarHBondContact O-CG 3.3Å; L501-R505 PolarHBondContact O-N 3.23Å; E502-R505 WeakPolarHBondContact O-CB 3.4Å; E502-R505 PolarHBondContact O-N 3.4Å; V503-R505 VanDerWaalsContact C-N 3.33Å; V503-R505 PolarHBondContact O-N 3.48Å
506	H	81.7	Confident	83.5	Confident	63 Å²	63	39.2 Å²	39.2	29%	0.292	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-49.6	174.8	-75.3	-72.3	0	0	0	111	E502 V503 E504 L508 A509 W550 H554 M555	E502-H506 PolarHBondContact O-CD2 3.33Å; E502-H506 VanDerWaalsContact O-CD2 3.23Å; E502-H506 PolarHBondContact O-N 2.85Å; E502-H506 VanDerWaalsContact O-N 3.14Å; V503-H506 PolarHBondContact O-N 2.93Å; E504-H506 VanDerWaalsContact C-N 3.33Å; E504-H506 PolarHBondContact O-N 2.74Å; H506-L508 VanDerWaalsContact C-N 3.3Å; H506-L508 PolarHBondContact O-N 2.82Å; H506-A509 VanDerWaalsContact O-CB 3.3Å; H506-A509 WeakPolarHBondContact O-CB 3.3Å; H506-A509 PolarHBondContact O-N 3.06Å; H506-W550 WeakPolarHBondContact O-CH2 3.47Å; H506-H554 PolarHBondContact CE1-O 3.48Å; H506-H554 PolarHBondContact ND1-O 2.91Å; H506-H554 VanDerWaalsContact ND1-O 3.11Å; H506-M555 HydrophobicContact CB-CE 3.6Å
507	L	89.3	Confident	85	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-32	-176.7	-67.8	-175.7	0	0	0	113.5	V503 E504 A509 H510 I513 V516 V518 A532 L547 W550 M555 P561	V503-L507 HydrophobicContact CG1-CD1 3.86Å; V503-L507 HydrophobicContact CG1-CG 4.12Å; V503-L507 WeakPolarHBondContact O-CB 3.2Å; V503-L507 VanDerWaalsContact O-CG 3.28Å; V503-L507 WeakPolarHBondContact O-CG 3.2Å; V503-L507 PolarHBondContact O-N 3.38Å; E504-L507 PolarHBondContact O-N 2.85Å; L507-A509 PolarHBondContact O-N 2.94Å; L507-H510 VanDerWaalsContact O-CB 3.23Å; L507-H510 WeakPolarHBondContact O-CB 3.4Å; L507-H510 PolarHBondContact O-N 3.41Å; L507-I513 HydrophobicContact CB-CD1 4.35Å; L507-V516 HydrophobicContact CB-CB 4.48Å; L507-V516 HydrophobicContact CB-CG1 3.95Å; L507-V516 HydrophobicContact CB-CG2 4.18Å; L507-V516 HydrophobicContact CD1-CG2 3.79Å; L507-V518 HydrophobicContact CD1-CG2 4.02Å; L507-A532 HydrophobicContact CD1-CB 3.66Å; L507-L547 HydrophobicContact CD2-CD1 3.62Å; L507-W550 HydrophobicContact CD2-CZ3 4.29Å; L507-M555 HydrophobicContact CD2-CE 3.68Å; L507-M555 HydrophobicContact CG-CE 4.28Å; L507-P561 HydrophobicContact CD1-CG 3.8Å; L507-P561 HydrophobicContact CD2-CG 4.42Å
508	L	88.1	Confident	86.1	Confident	34 Å²	34	27.8 Å²	27.8	18%	0.178	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.1	173.5	-74.3	171.1	0	0	0	113.6	P356 P358 E504 H506 H510 I513 V516	P356-L508 HydrophobicContact CB-CD1 3.61Å; P356-L508 HydrophobicContact CG-CD1 3.61Å; P358-L508 HydrophobicContact CG-CB 4.39Å; E504-L508 WeakPolarHBondContact O-CB 3.33Å; E504-L508 VanDerWaalsContact O-CG 3.28Å; E504-L508 WeakPolarHBondContact O-CG 3.44Å; E504-L508 PolarHBondContact O-N 3.41Å; H506-L508 VanDerWaalsContact C-N 3.3Å; H506-L508 PolarHBondContact O-N 2.82Å; L508-H510 VanDerWaalsContact C-N 3.33Å; L508-I513 HydrophobicContact CD2-CG2 4.46Å; L508-V516 HydrophobicContact CD1-CG1 4.36Å; L508-V516 HydrophobicContact CD2-CG1 3.71Å; L508-V516 HydrophobicContact CG-CG1 3.56Å
509	A	84.1	Confident	87	Confident	58 Å²	58	27.9 Å²	27.9	48%	0.479	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.7	172.2	0	0	0	0	0	113	P358 H506 L507 W550	P358-A509 HydrophobicContact CG-CB 4.47Å; H506-A509 VanDerWaalsContact O-CB 3.3Å; H506-A509 WeakPolarHBondContact O-CB 3.3Å; H506-A509 PolarHBondContact O-N 3.06Å; L507-A509 PolarHBondContact O-N 2.94Å; A509-W550 HydrophobicContact CB-CH2 4.24Å; A509-W550 HydrophobicContact CB-CZ2 4.45Å
510	H	89.6	Confident	87.3	Confident	15 Å²	15	27.9 Å²	27.9	7%	0.069	16%	0.155	C	C	.	.	S	Bend	trans	-68.6	130.3	176.5	-173.4	-68.8	0	0	0	110.1	L507 L508 D512 I513 W550	L507-H510 VanDerWaalsContact O-CB 3.23Å; L507-H510 WeakPolarHBondContact O-CB 3.4Å; L507-H510 PolarHBondContact O-N 3.41Å; L508-H510 VanDerWaalsContact C-N 3.33Å; H510-D512 VanDerWaalsContact C-N 3.29Å; H510-D512 IonicContact CE1-OD2 3.31Å; H510-D512 PolarHBondContact ND1-N 3.5Å; H510-D512 VanDerWaalsContact ND1-N 3.15Å; H510-D512 PolarHBondContact O-N 2.93Å; H510-I513 HydrophobicContact CB-CB 4.11Å; H510-I513 HydrophobicContact CB-CD1 3.77Å; H510-I513 HydrophobicContact CB-CG1 3.83Å; H510-I513 PolarHBondContact O-N 3.4Å; H510-W550 HydrophobicContact CB-CD2 4.3Å; H510-W550 HydrophobicContact CB-CE3 4.37Å; H510-W550 HydrophobicContact CB-CH2 4.16Å; H510-W550 HydrophobicContact CB-CZ2 4.04Å; H510-W550 HydrophobicContact CB-CZ3 4.31Å; H510-W550 AromaticContact CD2-CD1 3.75Å; H510-W550 AromaticContact CD2-CD2 3.42Å; H510-W550 VanDerWaalsContact CD2-CD2 3.42Å; H510-W550 AromaticContact CD2-CE2 3.81Å; H510-W550 AromaticContact CD2-CE3 3.88Å; H510-W550 AromaticContact CD2-CG 3.41Å; H510-W550 VanDerWaalsContact CD2-CG 3.41Å; H510-W550 AromaticContact CD2-NE1 3.95Å; H510-W550 AromaticContact NE2-CG 3.93Å
511	P	86.9	Confident	87.4	Confident	83 Å²	83	28 Å²	28	54%	0.539	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-36.9	-171	22	-33.9	0	0	0	113.5	Q537	P511-Q537 PolarHBondContact O-NE2 3.42Å
512	D	92.8	Very high	87.4	Confident	36 Å²	36	34.4 Å²	34.4	19%	0.193	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.3	-178.7	-59	-47.3	0	0	0	114.8	H510 L536 Q537 R540	H510-D512 VanDerWaalsContact C-N 3.29Å; H510-D512 IonicContact CE1-OD2 3.31Å; H510-D512 PolarHBondContact ND1-N 3.5Å; H510-D512 VanDerWaalsContact ND1-N 3.15Å; H510-D512 PolarHBondContact O-N 2.93Å; D512-L536 HydrophobicContact CB-CD2 4.36Å; D512-L536 CarbonylContact O-C 3.58Å; D512-L536 VanDerWaalsContact O-CA 3.31Å; D512-L536 WeakPolarHBondContact O-CA 3.28Å; D512-L536 WeakPolarHBondContact O-CD2 3.13Å; D512-Q537 PolarHBondContact O-N 3.26Å; D512-R540 HydrophobicContact CB-CB 4.24Å; D512-R540 HydrophobicContact CB-CG 4.22Å; D512-R540 WeakPolarHBondContact OD1-CD 3.47Å; D512-R540 IonicContact OD1-CZ 3.95Å; D512-R540 IonicContact OD1-NE 3.69Å; D512-R540 PolarHBondContact OD1-NE 3.35Å
513	I	92.4	Very high	87.4	Confident	11 Å²	11	33 Å²	33	6%	0.056	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.6	-177.5	-65.2	-174.4	0	0	0	109.4	L507 L508 H510 D515 V516 V534 L536 L542 L547	L507-I513 HydrophobicContact CB-CD1 4.35Å; L508-I513 HydrophobicContact CD2-CG2 4.46Å; H510-I513 HydrophobicContact CB-CB 4.11Å; H510-I513 HydrophobicContact CB-CD1 3.77Å; H510-I513 HydrophobicContact CB-CG1 3.83Å; H510-I513 PolarHBondContact O-N 3.4Å; I513-D515 WeakPolarHBondContact CG2-O 3.25Å; I513-V516 HydrophobicContact CG2-CB 4.15Å; I513-V516 HydrophobicContact CG2-CG1 4.46Å; I513-V534 HydrophobicContact CB-CG1 4.4Å; I513-V534 HydrophobicContact CD1-CG1 3.88Å; I513-V534 HydrophobicContact CD1-CG2 4.18Å; I513-V534 HydrophobicContact CG1-CG1 3.7Å; I513-V534 HydrophobicContact CG2-CG1 4.11Å; I513-L536 HydrophobicContact CG1-CD2 4.07Å; I513-L542 HydrophobicContact CD1-CD2 4.06Å; I513-L542 HydrophobicContact CG1-CD2 4.18Å; I513-L547 HydrophobicContact CD1-CD1 4.28Å
514	V	88	Confident	86.7	Confident	77 Å²	77	38.4 Å²	38.4	47%	0.467	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-41.2	174.5	172.5	0	0	0	0	110.6	Q535 Q537	V514-Q535 HydrophobicContact CB-CG 4.48Å; V514-Q535 PolarHBondContact N-O 3.47Å; V514-Q537 HydrophobicContact CG2-CB 4.18Å; V514-Q537 HydrophobicContact CG2-CG 3.58Å
515	D	89	Confident	85.5	Confident	21 Å²	21	42.7 Å²	42.7	11%	0.112	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.3	-177.4	-156.3	-2.5	0	0	0	110.5	I513 Q535 M570 R572	I513-D515 WeakPolarHBondContact CG2-O 3.25Å; D515-Q535 HydrophobicContact CB-CB 3.9Å; D515-Q535 PolarHBondContact N-O 3.47Å; D515-Q535 PolarHBondContact O-N 2.86Å; D515-M570 HydrophobicContact CB-CB 4.28Å; D515-M570 VanDerWaalsContact OD2-CB 3.23Å; D515-M570 WeakPolarHBondContact OD2-CB 3.23Å; D515-M570 WeakPolarHBondContact OD2-CG 3.23Å; D515-R572 IonicContact OD1-CZ 2.69Å; D515-R572 IonicContact OD1-NH2 2.8Å; D515-R572 PolarHBondContact OD1-NH2 2.79Å; D515-R572 IonicContact OD2-CZ 3.27Å; D515-R572 IonicContact OD2-NE 2.79Å; D515-R572 PolarHBondContact OD2-NE 3.28Å; D515-R572 IonicContact OD2-NH2 3.92Å; D515-R572 PolarHBondContact OD2-NH2 3.19Å
516	V	92.3	Very high	84.8	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	142.8	179.9	62.6	0	0	0	0	111.4	E504 L507 L508 I513 V518 A532 V533 V534	E504-V516 HydrophobicContact CB-CG1 4.2Å; E504-V516 HydrophobicContact CG-CG1 4.26Å; L507-V516 HydrophobicContact CB-CB 4.48Å; L507-V516 HydrophobicContact CB-CG1 3.95Å; L507-V516 HydrophobicContact CB-CG2 4.18Å; L507-V516 HydrophobicContact CD1-CG2 3.79Å; L508-V516 HydrophobicContact CD1-CG1 4.36Å; L508-V516 HydrophobicContact CD2-CG1 3.71Å; L508-V516 HydrophobicContact CG-CG1 3.56Å; I513-V516 HydrophobicContact CG2-CB 4.15Å; I513-V516 HydrophobicContact CG2-CG1 4.46Å; V516-V518 HydrophobicContact CG2-CG2 4.23Å; V516-A532 HydrophobicContact CG2-CB 4.29Å; V516-V533 CarbonylContact C-O 3.55Å; V516-V533 VanDerWaalsContact CA-O 3.26Å; V516-V533 WeakPolarHBondContact CA-O 3.3Å; V516-V533 WeakPolarHBondContact CG2-O 3.28Å; V516-V534 HydrophobicContact CB-CG2 4.43Å; V516-V534 HydrophobicContact CG2-CG2 3.86Å
517	A	91.9	Very high	84.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.2	166.3	0	0	0	0	0	109.2	E504 V533 M570 V578 L583	E504-A517 WeakPolarHBondContact OE1-CA 3.31Å; A517-V533 PolarHBondContact N-O 2.93Å; A517-V533 WeakPolarHBondContact O-CB 3.27Å; A517-V533 PolarHBondContact O-N 2.93Å; A517-M570 HydrophobicContact CB-CE 4.21Å; A517-M570 HydrophobicContact CB-SD 3.86Å; A517-V578 HydrophobicContact CB-CG1 3.86Å; A517-V578 HydrophobicContact CB-CG2 4.48Å; A517-L583 HydrophobicContact CB-CD1 3.53Å
518	V	91.9	Very high	84	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.4	179.9	174.8	0	0	0	0	109	I491 A500 V503 E504 L507 V516 V530 T531 A532 K580	I491-V518 HydrophobicContact CD1-CG1 3.69Å; A500-V518 HydrophobicContact CB-CB 3.97Å; A500-V518 HydrophobicContact CB-CG1 3.97Å; A500-V518 WeakPolarHBondContact CB-O 3.42Å; V503-V518 HydrophobicContact CB-CB 4.45Å; V503-V518 HydrophobicContact CB-CG1 4.15Å; V503-V518 HydrophobicContact CB-CG2 3.99Å; V503-V518 HydrophobicContact CG1-CG1 4.21Å; V503-V518 HydrophobicContact CG1-CG2 3.72Å; E504-V518 HydrophobicContact CG-CB 3.87Å; E504-V518 HydrophobicContact CG-CG2 3.61Å; E504-V518 PolarHBondContact OE1-N 2.79Å; L507-V518 HydrophobicContact CD1-CG2 4.02Å; V516-V518 HydrophobicContact CG2-CG2 4.23Å; V518-V530 HydrophobicContact CG1-CG1 3.62Å; V518-T531 WeakPolarHBondContact CA-O 3.1Å; V518-A532 HydrophobicContact CG2-CB 4.47Å; V518-K580 WeakPolarHBondContact O-CD 3.48Å; V518-K580 VanDerWaalsContact O-CE 3.32Å; V518-K580 WeakPolarHBondContact O-CE 3.28Å; V518-K580 PolarHBondContact O-NZ 2.97Å
519	I	91.9	Very high	84	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.015	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.5	-178.8	63.6	176.4	0	0	0	110.8	A521 T531 V533 K580 L583 L584	I519-A521 PolarHBondContact O-N 2.91Å; I519-T531 HydrophobicContact CD1-CG2 4.45Å; I519-T531 HydrophobicContact CG1-CG2 4.21Å; I519-T531 PolarHBondContact N-O 2.81Å; I519-T531 PolarHBondContact O-N 3.03Å; I519-V533 HydrophobicContact CD1-CG2 4.14Å; I519-V533 HydrophobicContact CG1-CG2 4.43Å; I519-K580 HydrophobicContact CG2-CB 4.08Å; I519-K580 HydrophobicContact CG2-CD 4.44Å; I519-K580 HydrophobicContact CG2-CG 4.17Å; I519-L583 HydrophobicContact CG2-CB 4.15Å; I519-L583 HydrophobicContact CG2-CD1 4.38Å; I519-L584 HydrophobicContact CB-CD1 4.36Å; I519-L584 HydrophobicContact CD1-CD1 4.12Å; I519-L584 HydrophobicContact CG1-CD1 4.47Å
520	G	87.9	Confident	84.3	Confident	6 Å²	6	48 Å²	48	6%	0.062	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	83.9	170.5	0	0	0	0	0	111	Q528 L584	G520-Q528 PolarHBondContact O-NE2 2.6Å; G520-L584 WeakPolarHBondContact O-CD1 3.28Å
521	A	86.1	Confident	84.5	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	144	176	0	0	0	0	0	110.5	I519 D523 Q528 K529 T531 S588	I519-A521 PolarHBondContact O-N 2.91Å; A521-D523 PolarHBondContact O-N 3.11Å; A521-Q528 CarbonylContact O-C 3.57Å; A521-Q528 WeakPolarHBondContact O-CA 3.34Å; A521-K529 HydrophobicContact CB-CG 3.88Å; A521-K529 PolarHBondContact N-O 3.47Å; A521-K529 PolarHBondContact O-N 3Å; A521-T531 WeakPolarHBondContact CB-OG1 3.48Å; A521-S588 WeakPolarHBondContact CB-OG 3.2Å
522	K	81.1	Confident	84.9	Confident	159 Å²	159	43.7 Å²	43.7	69%	0.691	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	138.1	178.4	-71.1	179.7	-178.3	169.1	0	110.2
523	D	77.9	Confident	85.1	Confident	42 Å²	42	42 Å²	42	23%	0.225	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.9	178.4	-170.8	-85.1	0	0	0	110.4	A521 T525 W526 G527 K529	A521-D523 PolarHBondContact O-N 3.11Å; D523-T525 VanDerWaalsContact C-N 3.29Å; D523-T525 PolarHBondContact O-N 2.84Å; D523-T525 WeakPolarHBondContact OD1-CB 3.4Å; D523-T525 PolarHBondContact OD1-N 2.87Å; D523-W526 HydrophobicContact CB-CB 4.48Å; D523-W526 VanDerWaalsContact OD1-CD1 3.28Å; D523-W526 PolarHBondContact OD1-N 2.64Å; D523-G527 PolarHBondContact N-O 2.68Å; D523-G527 CarbonylContact O-C 3.54Å; D523-G527 WeakPolarHBondContact O-CA 3.38Å; D523-G527 PolarHBondContact O-N 3.1Å; D523-K529 HydrophobicContact CB-CB 3.9Å; D523-K529 HydrophobicContact CB-CD 4.46Å; D523-K529 HydrophobicContact CB-CG 4.16Å
524	A	70.5	Confident	85.2	Confident	113 Å²	113	41.5 Å²	41.5	93%	0.934	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26	-174.4	0	0	0	0	0	113.2
525	T	63.8	Low	85.5	Confident	112 Å²	112	39.6 Å²	39.6	69%	0.687	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-42.9	-177.2	-56	0	0	0	0	111.1	D523	D523-T525 VanDerWaalsContact C-N 3.29Å; D523-T525 PolarHBondContact O-N 2.84Å; D523-T525 WeakPolarHBondContact OD1-CB 3.4Å; D523-T525 PolarHBondContact OD1-N 2.87Å
526	W	64.4	Low	85.7	Confident	149 Å²	149	39.9 Å²	39.9	56%	0.564	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-0.3	-169.6	-57.6	105.8	0	0	0	113.9	S493 G494 D523 Q528	S493-W526 WeakPolarHBondContact CA-O 3.36Å; G494-W526 VanDerWaalsContact CA-CE3 3.42Å; G494-W526 PolarHBondContact N-O 3.45Å; D523-W526 HydrophobicContact CB-CB 4.48Å; D523-W526 VanDerWaalsContact OD1-CD1 3.28Å; D523-W526 PolarHBondContact OD1-N 2.64Å; W526-Q528 WeakPolarHBondContact CB-O 3.23Å; W526-Q528 PolarHBondContact O-N 2.99Å
527	G	74.3	Confident	85.6	Confident	48 Å²	48	43.9 Å²	43.9	50%	0.495	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-59.6	-170.8	0	0	0	0	0	111.1	D523	D523-G527 PolarHBondContact N-O 2.68Å; D523-G527 CarbonylContact O-C 3.54Å; D523-G527 WeakPolarHBondContact O-CA 3.38Å; D523-G527 PolarHBondContact O-N 3.1Å
528	Q	79.4	Confident	85.4	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.7	167.6	-59.8	-178.9	-65.8	0	0	110.8	I491 K492 S493 G520 A521 W526	I491-Q528 HydrophobicContact CG2-CB 3.75Å; K492-Q528 WeakPolarHBondContact O-CB 3.27Å; K492-Q528 PolarHBondContact O-N 2.99Å; S493-Q528 WeakPolarHBondContact CA-O 3.4Å; S493-Q528 WeakPolarHBondContact CB-O 3.5Å; S493-Q528 PolarHBondContact OG-O 3.11Å; G520-Q528 PolarHBondContact O-NE2 2.6Å; A521-Q528 CarbonylContact O-C 3.57Å; A521-Q528 WeakPolarHBondContact O-CA 3.34Å; W526-Q528 WeakPolarHBondContact CB-O 3.23Å; W526-Q528 PolarHBondContact O-N 2.99Å
529	K	87.3	Confident	85.1	Confident	70 Å²	70	58.1 Å²	58.1	30%	0.304	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.6	166.9	68.4	179.9	178.7	-172.5	0	110.2	A521 D523 T531	A521-K529 HydrophobicContact CB-CG 3.88Å; A521-K529 PolarHBondContact N-O 3.47Å; A521-K529 PolarHBondContact O-N 3Å; D523-K529 HydrophobicContact CB-CB 3.9Å; D523-K529 HydrophobicContact CB-CD 4.46Å; D523-K529 HydrophobicContact CB-CG 4.16Å; K529-T531 PolarHBondContact O-N 2.71Å
530	V	91.5	Very high	85.2	Confident	3 Å²	3	65 Å²	65	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.3	177	-176.6	0	0	0	0	108.5	I491 I498 V503 V518 P561 T562 G563	I491-V530 HydrophobicContact CD1-CG1 4.31Å; I491-V530 HydrophobicContact CD1-CG2 4.34Å; I491-V530 HydrophobicContact CG2-CG2 4.2Å; I498-V530 HydrophobicContact CD1-CG2 3.63Å; I498-V530 HydrophobicContact CG2-CG2 4.3Å; V503-V530 HydrophobicContact CG1-CG1 4.3Å; V503-V530 HydrophobicContact CG2-CG1 4.42Å; V518-V530 HydrophobicContact CG1-CG1 3.62Å; V530-P561 HydrophobicContact CG1-CB 4.37Å; V530-P561 HydrophobicContact CG1-CG 4.34Å; V530-P561 CarbonylContact O-C 3.56Å; V530-P561 WeakPolarHBondContact O-CA 3.5Å; V530-T562 PolarHBondContact O-N 3.47Å; V530-G563 PolarHBondContact O-N 3.43Å
531	T	93.9	Very high	85.3	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.055	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.2	179	-62.4	0	0	0	0	109.9	V518 I519 A521 K529 G563 V565	V518-T531 WeakPolarHBondContact CA-O 3.1Å; I519-T531 HydrophobicContact CD1-CG2 4.45Å; I519-T531 HydrophobicContact CG1-CG2 4.21Å; I519-T531 PolarHBondContact N-O 2.81Å; I519-T531 PolarHBondContact O-N 3.03Å; A521-T531 WeakPolarHBondContact CB-OG1 3.48Å; K529-T531 PolarHBondContact O-N 2.71Å; T531-G563 WeakPolarHBondContact CA-O 3.39Å; T531-V565 HydrophobicContact CG2-CG2 3.99Å
532	A	95.5	Very high	85.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.5	173.2	0	0	0	0	0	110.1	L507 V516 V518 V534 L547 P561 G563 L564 V565	L507-A532 HydrophobicContact CD1-CB 3.66Å; V516-A532 HydrophobicContact CG2-CB 4.29Å; V518-A532 HydrophobicContact CG2-CB 4.47Å; A532-V534 HydrophobicContact CB-CG2 3.92Å; A532-L547 HydrophobicContact CB-CD2 4.29Å; A532-P561 HydrophobicContact CB-CB 4.01Å; A532-P561 HydrophobicContact CB-CG 4.03Å; A532-G563 PolarHBondContact N-O 3.24Å; A532-L564 HydrophobicContact CB-CD1 4.4Å; A532-L564 CarbonylContact O-C 3.57Å; A532-L564 VanDerWaalsContact O-CA 3.32Å; A532-L564 WeakPolarHBondContact O-CA 3.38Å; A532-V565 PolarHBondContact O-N 2.85Å
533	V	95.4	Very high	86.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115	166.7	-174.3	0	0	0	0	106.6	V516 A517 I519 V565 V567 M570 L583 F587	V516-V533 CarbonylContact C-O 3.55Å; V516-V533 VanDerWaalsContact CA-O 3.26Å; V516-V533 WeakPolarHBondContact CA-O 3.3Å; V516-V533 WeakPolarHBondContact CG2-O 3.28Å; A517-V533 PolarHBondContact N-O 2.93Å; A517-V533 WeakPolarHBondContact O-CB 3.27Å; A517-V533 PolarHBondContact O-N 2.93Å; I519-V533 HydrophobicContact CD1-CG2 4.14Å; I519-V533 HydrophobicContact CG1-CG2 4.43Å; V533-V565 CarbonylContact C-O 3.57Å; V533-V565 VanDerWaalsContact CA-O 3.31Å; V533-V565 WeakPolarHBondContact CA-O 3.48Å; V533-V565 HydrophobicContact CG1-CB 4.43Å; V533-V565 HydrophobicContact CG1-CG1 4.42Å; V533-V565 HydrophobicContact CG2-CB 4.26Å; V533-V567 HydrophobicContact CG1-CG1 3.66Å; V533-V567 HydrophobicContact CG1-CG2 4.13Å; V533-M570 HydrophobicContact CG1-CE 4.25Å; V533-M570 WeakPolarHBondContact O-CE 3.39Å; V533-L583 HydrophobicContact CG1-CD2 4.49Å; V533-L583 HydrophobicContact CG2-CD1 4.45Å; V533-F587 HydrophobicContact CG1-CE2 4.48Å
534	V	95.6	Very high	87.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.7	-165.2	173.2	0	0	0	0	110.4	I513 V516 A532 L536 L564 V565 L566 V567	I513-V534 HydrophobicContact CB-CG1 4.4Å; I513-V534 HydrophobicContact CD1-CG1 3.88Å; I513-V534 HydrophobicContact CD1-CG2 4.18Å; I513-V534 HydrophobicContact CG1-CG1 3.7Å; I513-V534 HydrophobicContact CG2-CG1 4.11Å; V516-V534 HydrophobicContact CB-CG2 4.43Å; V516-V534 HydrophobicContact CG2-CG2 3.86Å; A532-V534 HydrophobicContact CB-CG2 3.92Å; V534-L536 HydrophobicContact CG1-CD2 3.59Å; V534-L536 HydrophobicContact CG1-CG 4.04Å; V534-L564 HydrophobicContact CB-CD1 3.9Å; V534-L564 HydrophobicContact CG2-CD1 3.52Å; V534-V565 PolarHBondContact N-O 3.49Å; V534-L566 HydrophobicContact CB-CD2 4.04Å; V534-L566 HydrophobicContact CG1-CD2 4.26Å; V534-L566 WeakPolarHBondContact O-CA 3.41Å; V534-V567 PolarHBondContact O-N 3.46Å
535	Q	94.1	Very high	88.6	Confident	38 Å²	38	64.2 Å²	64.2	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.9	163.8	-174.2	178.3	-0.6	0	0	108.6	V514 D515 V567 E568 M570	V514-Q535 HydrophobicContact CB-CG 4.48Å; V514-Q535 PolarHBondContact N-O 3.47Å; D515-Q535 HydrophobicContact CB-CB 3.9Å; D515-Q535 PolarHBondContact N-O 3.47Å; D515-Q535 PolarHBondContact O-N 2.86Å; Q535-V567 HydrophobicContact CB-CG2 4.21Å; Q535-E568 WeakPolarHBondContact CG-O 3.49Å; Q535-E568 PolarHBondContact NE2-O 2.96Å; Q535-M570 VanDerWaalsContact OE1-N 3.17Å
536	L	93.9	Very high	90.1	Very high	27 Å²	27	63.6 Å²	63.6	14%	0.141	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	163.2	-178.4	-64.4	174.5	0	0	0	112.2	D512 I513 V534 R540 L542 L566	D512-L536 HydrophobicContact CB-CD2 4.36Å; D512-L536 CarbonylContact O-C 3.58Å; D512-L536 VanDerWaalsContact O-CA 3.31Å; D512-L536 WeakPolarHBondContact O-CA 3.28Å; D512-L536 WeakPolarHBondContact O-CD2 3.13Å; I513-L536 HydrophobicContact CG1-CD2 4.07Å; V534-L536 HydrophobicContact CG1-CD2 3.59Å; V534-L536 HydrophobicContact CG1-CG 4.04Å; L536-R540 HydrophobicContact CB-CB 4.38Å; L536-L542 HydrophobicContact CD1-CB 3.73Å; L536-L542 HydrophobicContact CD2-CB 3.82Å; L536-L542 HydrophobicContact CD2-CD2 3.94Å; L536-L542 HydrophobicContact CG-CB 4.41Å; L536-L566 HydrophobicContact CD1-CD1 4.04Å; L536-L566 HydrophobicContact CD1-CD2 3.91Å; L536-L566 HydrophobicContact CG-CD2 4.17Å
537	Q	89.3	Confident	91.5	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.411	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-60.5	146.5	165.1	-65.8	-170.1	13	0	0	110.4	P511 D512 V514 G539 R540	P511-Q537 PolarHBondContact O-NE2 3.42Å; D512-Q537 PolarHBondContact O-N 3.26Å; V514-Q537 HydrophobicContact CG2-CB 4.18Å; V514-Q537 HydrophobicContact CG2-CG 3.58Å; Q537-G539 PolarHBondContact O-N 3.25Å; Q537-R540 HydrophobicContact CB-CG 3.82Å; Q537-R540 WeakPolarHBondContact O-CB 3.49Å; Q537-R540 PolarHBondContact O-N 2.95Å
538	K	86.8	Confident	92.4	Very high	217 Å²	217	56.9 Å²	56.9	94%	0.943	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	127.3	-178.2	-169.4	177.1	-177.4	178.5	0	110.7	R540	K538-R540 VanDerWaalsContact C-N 3.32Å
539	G	87.5	Confident	93.1	Very high	82 Å²	82	58.2 Å²	58.2	85%	0.845	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	5.7	179.6	0	0	0	0	0	115	Q537	Q537-G539 PolarHBondContact O-N 3.25Å
540	R	92.1	Very high	93.4	Very high	148 Å²	148	56.9 Å²	56.9	56%	0.558	31%	0.307	S	S	*	.			trans	-93.9	154.7	170.9	-61.1	-61.3	-172.8	173.7	1.8	111.3	D512 L536 Q537 K538	D512-R540 HydrophobicContact CB-CB 4.24Å; D512-R540 HydrophobicContact CB-CG 4.22Å; D512-R540 WeakPolarHBondContact OD1-CD 3.47Å; D512-R540 IonicContact OD1-CZ 3.95Å; D512-R540 IonicContact OD1-NE 3.69Å; D512-R540 PolarHBondContact OD1-NE 3.35Å; L536-R540 HydrophobicContact CB-CB 4.38Å; Q537-R540 HydrophobicContact CB-CG 3.82Å; Q537-R540 WeakPolarHBondContact O-CB 3.49Å; Q537-R540 PolarHBondContact O-N 2.95Å; K538-R540 VanDerWaalsContact C-N 3.32Å
541	S	91.9	Very high	93.2	Very high	95 Å²	95	56.8 Å²	56.8	66%	0.664	31%	0.306	S	S	*	.			trans	-127.4	148.2	171.4	57.4	0	0	0	0	109.1
542	L	95.3	Very high	93	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	33%	0.332	C	S	.	.			trans	-144.6	126.6	176.7	-174.2	65.5	0	0	0	109.4	I513 L536 E546 L547 L564	I513-L542 HydrophobicContact CD1-CD2 4.06Å; I513-L542 HydrophobicContact CG1-CD2 4.18Å; L536-L542 HydrophobicContact CD1-CB 3.73Å; L536-L542 HydrophobicContact CD2-CB 3.82Å; L536-L542 HydrophobicContact CD2-CD2 3.94Å; L536-L542 HydrophobicContact CG-CB 4.41Å; L542-E546 HydrophobicContact CD1-CB 3.92Å; L542-L547 HydrophobicContact CD1-CB 4.48Å; L542-L547 HydrophobicContact CD2-CB 4.27Å; L542-L547 HydrophobicContact CD2-CD1 4.11Å; L542-L547 HydrophobicContact CG-CB 4.31Å; L542-L564 HydrophobicContact CG-CD2 4.45Å; L542-L564 WeakPolarHBondContact O-CD2 3.42Å
543	T	96.4	Very high	92.5	Very high	66 Å²	66	71.2 Å²	71.2	41%	0.405	37%	0.366	S	S	.	.			trans	-99.5	158.3	175	66.9	0	0	0	0	111	E546 L547	T543-E546 WeakPolarHBondContact CB-OE2 3.28Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.33Å; T543-E546 PolarHBondContact N-OE2 3.17Å; T543-E546 PolarHBondContact O-N 2.76Å; T543-E546 VanDerWaalsContact OG1-CG 3.25Å; T543-E546 WeakPolarHBondContact OG1-CG 3.34Å; T543-E546 PolarHBondContact OG1-N 2.85Å; T543-E546 PolarHBondContact OG1-OE2 2.85Å; T543-L547 WeakPolarHBondContact O-CB 3.34Å; T543-L547 PolarHBondContact O-N 3.3Å
544	L	94.8	Very high	91.7	Very high	45 Å²	45	75.1 Å²	75.1	24%	0.236	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-41	177.6	178.3	65.5	0	0	0	112.9	L547 K548 T562 L564	L544-L547 PolarHBondContact O-N 3.05Å; L544-K548 HydrophobicContact CD1-CD 4.44Å; L544-K548 HydrophobicContact CD1-CG 4.24Å; L544-K548 HydrophobicContact CG-CD 4.29Å; L544-K548 HydrophobicContact CG-CG 4.48Å; L544-K548 WeakPolarHBondContact O-CB 3.4Å; L544-K548 VanDerWaalsContact O-CG 3.3Å; L544-K548 WeakPolarHBondContact O-CG 3.24Å; L544-K548 PolarHBondContact O-N 3.15Å; L544-T562 VanDerWaalsContact CD2-O 3.26Å; L544-T562 WeakPolarHBondContact CD2-O 3.37Å; L544-L564 HydrophobicContact CB-CB 4.02Å; L544-L564 HydrophobicContact CB-CD2 4.39Å; L544-L564 HydrophobicContact CD1-CB 3.91Å
545	P	96.7	Very high	91.1	Very high	87 Å²	87	75.8 Å²	75.8	57%	0.565	39%	0.388	S	S	*	.	H	α-helix	trans	-60.5	-42.4	173.6	-26.1	36.6	0	0	0	113.7	K548 T549	P545-K548 PolarHBondContact O-N 3.4Å; P545-T549 PolarHBondContact O-N 3.05Å; P545-T549 PolarHBondContact O-OG1 3.17Å; P545-T549 VanDerWaalsContact O-OG1 3.04Å
546	E	95.4	Very high	90	Very high	99 Å²	99	75.8 Å²	75.8	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-47.7	176.5	-71.3	162.5	155.5	0	0	111.1	L542 T543 K548 T549 W550	L542-E546 HydrophobicContact CD1-CB 3.92Å; T543-E546 WeakPolarHBondContact CB-OE2 3.28Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.33Å; T543-E546 PolarHBondContact N-OE2 3.17Å; T543-E546 PolarHBondContact O-N 2.76Å; T543-E546 VanDerWaalsContact OG1-CG 3.25Å; T543-E546 WeakPolarHBondContact OG1-CG 3.34Å; T543-E546 PolarHBondContact OG1-N 2.85Å; T543-E546 PolarHBondContact OG1-OE2 2.85Å; E546-K548 VanDerWaalsContact C-N 3.3Å; E546-K548 PolarHBondContact O-N 2.91Å; E546-T549 WeakPolarHBondContact O-CB 3.18Å; E546-T549 PolarHBondContact O-N 3.43Å; E546-T549 VanDerWaalsContact O-N 3.13Å; E546-W550 PolarHBondContact O-N 3.49Å
547	L	94.9	Very high	89.4	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.005	42%	0.422	C	S	.	.	H	α-helix	trans	-56.5	-44.2	174.7	178	63.8	0	0	0	111.6	L507 I513 A532 L542 T543 L544 W550 A551 P561 L564	L507-L547 HydrophobicContact CD2-CD1 3.62Å; I513-L547 HydrophobicContact CD1-CD1 4.28Å; A532-L547 HydrophobicContact CB-CD2 4.29Å; L542-L547 HydrophobicContact CD1-CB 4.48Å; L542-L547 HydrophobicContact CD2-CB 4.27Å; L542-L547 HydrophobicContact CD2-CD1 4.11Å; L542-L547 HydrophobicContact CG-CB 4.31Å; T543-L547 WeakPolarHBondContact O-CB 3.34Å; T543-L547 PolarHBondContact O-N 3.3Å; L544-L547 PolarHBondContact O-N 3.05Å; L547-W550 PolarHBondContact O-N 3.15Å; L547-A551 WeakPolarHBondContact O-CB 3.46Å; L547-A551 PolarHBondContact O-N 3.3Å; L547-P561 HydrophobicContact CD2-CB 4.31Å; L547-P561 HydrophobicContact CD2-CG 4.45Å; L547-L564 HydrophobicContact CD2-CB 4.43Å; L547-L564 HydrophobicContact CD2-CD1 3.86Å; L547-L564 HydrophobicContact CD2-CD2 4.28Å; L547-L564 HydrophobicContact CD2-CG 4.42Å
548	K	93	Very high	88.7	Confident	56 Å²	56	80.9 Å²	80.9	24%	0.243	42%	0.423	C	S	.	.	H	α-helix	trans	-64.2	-40.2	177.3	-78.7	-179.4	177.7	-179.1	0	112.1	L544 P545 E546 A551 R552 I560 P561	L544-K548 HydrophobicContact CD1-CD 4.44Å; L544-K548 HydrophobicContact CD1-CG 4.24Å; L544-K548 HydrophobicContact CG-CD 4.29Å; L544-K548 HydrophobicContact CG-CG 4.48Å; L544-K548 WeakPolarHBondContact O-CB 3.4Å; L544-K548 VanDerWaalsContact O-CG 3.3Å; L544-K548 WeakPolarHBondContact O-CG 3.24Å; L544-K548 PolarHBondContact O-N 3.15Å; P545-K548 PolarHBondContact O-N 3.4Å; E546-K548 VanDerWaalsContact C-N 3.3Å; E546-K548 PolarHBondContact O-N 2.91Å; K548-A551 PolarHBondContact O-N 2.93Å; K548-R552 WeakPolarHBondContact O-CG 3.35Å; K548-R552 PolarHBondContact O-N 2.84Å; K548-I560 HydrophobicContact CB-CG2 4.4Å; K548-I560 HydrophobicContact CG-CG2 3.89Å; K548-P561 WeakPolarHBondContact CE-O 3.31Å
549	T	94.2	Very high	88.5	Confident	79 Å²	79	70.7 Å²	70.7	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-49.8	177.4	-64.4	0	0	0	0	110.6	P545 E546 A551 R552	P545-T549 PolarHBondContact O-N 3.05Å; P545-T549 PolarHBondContact O-OG1 3.17Å; P545-T549 VanDerWaalsContact O-OG1 3.04Å; E546-T549 WeakPolarHBondContact O-CB 3.18Å; E546-T549 PolarHBondContact O-N 3.43Å; E546-T549 VanDerWaalsContact O-N 3.13Å; T549-A551 PolarHBondContact O-N 3.12Å; T549-R552 PolarHBondContact O-N 2.97Å
550	W	93.5	Very high	88.7	Confident	43 Å²	43	67.6 Å²	67.6	16%	0.163	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-44.7	175.4	-176.3	90.7	0	0	0	112.2	H506 L507 A509 H510 E546 L547 R552 E553 H554 M555	H506-W550 WeakPolarHBondContact O-CH2 3.47Å; L507-W550 HydrophobicContact CD2-CZ3 4.29Å; A509-W550 HydrophobicContact CB-CH2 4.24Å; A509-W550 HydrophobicContact CB-CZ2 4.45Å; H510-W550 HydrophobicContact CB-CD2 4.3Å; H510-W550 HydrophobicContact CB-CE3 4.37Å; H510-W550 HydrophobicContact CB-CH2 4.16Å; H510-W550 HydrophobicContact CB-CZ2 4.04Å; H510-W550 HydrophobicContact CB-CZ3 4.31Å; H510-W550 AromaticContact CD2-CD1 3.75Å; H510-W550 AromaticContact CD2-CD2 3.42Å; H510-W550 VanDerWaalsContact CD2-CD2 3.42Å; H510-W550 AromaticContact CD2-CE2 3.81Å; H510-W550 AromaticContact CD2-CE3 3.88Å; H510-W550 AromaticContact CD2-CG 3.41Å; H510-W550 VanDerWaalsContact CD2-CG 3.41Å; H510-W550 AromaticContact CD2-NE1 3.95Å; H510-W550 AromaticContact NE2-CG 3.93Å; E546-W550 PolarHBondContact O-N 3.49Å; L547-W550 PolarHBondContact O-N 3.15Å; W550-R552 VanDerWaalsContact C-N 3.31Å; W550-R552 PolarHBondContact O-N 3.32Å; W550-E553 PolarHBondContact O-N 3.48Å; W550-H554 AromaticContact CD2-ND1 3.71Å; W550-H554 AromaticContact CE2-CE1 3.52Å; W550-H554 AromaticContact CE2-CG 3.99Å; W550-H554 AromaticContact CE2-ND1 3.51Å; W550-H554 AromaticContact CE2-NE2 3.95Å; W550-H554 HydrophobicContact CH2-CB 3.97Å; W550-H554 AromaticContact CH2-CG 3.75Å; W550-H554 HydrophobicContact CZ2-CB 4.42Å; W550-H554 AromaticContact CZ2-CD2 3.72Å; W550-H554 AromaticContact CZ2-CE1 3.79Å; W550-H554 AromaticContact CZ2-CG 3.71Å; W550-H554 AromaticContact CZ2-ND1 3.73Å; W550-H554 AromaticContact CZ2-NE2 3.78Å; W550-H554 HydrophobicContact CZ3-CB 4.04Å; W550-H554 AromaticContact NE1-CE1 3.47Å; W550-H554 PolarHBondContact NE1-CE1 3.32Å; W550-H554 AromaticContact NE1-ND1 3.86Å; W550-H554 PolarHBondContact O-ND1 3.3Å; W550-M555 HydrophobicContact CZ3-CE 4.22Å
551	A	87.8	Confident	88.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-37.1	-178.1	0	0	0	0	0	112.7	L547 K548 T549 E553 H554 M555 I560	L547-A551 WeakPolarHBondContact O-CB 3.46Å; L547-A551 PolarHBondContact O-N 3.3Å; K548-A551 PolarHBondContact O-N 2.93Å; T549-A551 PolarHBondContact O-N 3.12Å; A551-E553 PolarHBondContact O-N 3.46Å; A551-E553 VanDerWaalsContact O-N 3.13Å; A551-H554 PolarHBondContact O-N 3.15Å; A551-M555 HydrophobicContact CB-CE 3.66Å; A551-M555 HydrophobicContact CB-CG 4.07Å; A551-M555 HydrophobicContact CB-SD 3.92Å; A551-M555 VanDerWaalsContact O-CG 3.31Å; A551-M555 WeakPolarHBondContact O-CG 3.36Å; A551-M555 PolarHBondContact O-N 3.12Å; A551-I560 HydrophobicContact CB-CB 4.48Å; A551-I560 HydrophobicContact CB-CD1 4.37Å; A551-I560 HydrophobicContact CB-CG1 4.07Å; A551-I560 HydrophobicContact CB-CG2 3.85Å
552	R	89.6	Confident	88.8	Confident	158 Å²	158	59.2 Å²	59.2	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-58.9	-26.6	179	-76.5	178.5	-163.5	117	-3	113.9	K548 T549 W550 I560	K548-R552 WeakPolarHBondContact O-CG 3.35Å; K548-R552 PolarHBondContact O-N 2.84Å; T549-R552 PolarHBondContact O-N 2.97Å; W550-R552 VanDerWaalsContact C-N 3.31Å; W550-R552 PolarHBondContact O-N 3.32Å; R552-I560 HydrophobicContact CB-CD1 4.31Å; R552-I560 HydrophobicContact CG-CD1 3.58Å
553	E	84.9	Confident	88.7	Confident	154 Å²	154	59.1 Å²	59.1	72%	0.72	31%	0.305	S	S	*	.	H	α-helix	trans	-83.4	-18.3	178	-62.9	179.3	174.2	0	0	112.6	W550 A551	W550-E553 PolarHBondContact O-N 3.48Å; A551-E553 PolarHBondContact O-N 3.46Å; A551-E553 VanDerWaalsContact O-N 3.13Å
554	H	78.4	Confident	88.6	Confident	83 Å²	83	57.7 Å²	57.7	38%	0.384	30%	0.295	S	S	.	.	H	α-helix	trans	-120.3	-15.2	-167.6	-63.7	82.9	0	0	0	114.4	H506 W550 A551	H506-H554 PolarHBondContact CE1-O 3.48Å; H506-H554 PolarHBondContact ND1-O 2.91Å; H506-H554 VanDerWaalsContact ND1-O 3.11Å; W550-H554 AromaticContact CD2-ND1 3.71Å; W550-H554 AromaticContact CE2-CE1 3.52Å; W550-H554 AromaticContact CE2-CG 3.99Å; W550-H554 AromaticContact CE2-ND1 3.51Å; W550-H554 AromaticContact CE2-NE2 3.95Å; W550-H554 HydrophobicContact CH2-CB 3.97Å; W550-H554 AromaticContact CH2-CG 3.75Å; W550-H554 HydrophobicContact CZ2-CB 4.42Å; W550-H554 AromaticContact CZ2-CD2 3.72Å; W550-H554 AromaticContact CZ2-CE1 3.79Å; W550-H554 AromaticContact CZ2-CG 3.71Å; W550-H554 AromaticContact CZ2-ND1 3.73Å; W550-H554 AromaticContact CZ2-NE2 3.78Å; W550-H554 HydrophobicContact CZ3-CB 4.04Å; W550-H554 AromaticContact NE1-CE1 3.47Å; W550-H554 PolarHBondContact NE1-CE1 3.32Å; W550-H554 AromaticContact NE1-ND1 3.86Å; W550-H554 PolarHBondContact O-ND1 3.3Å; A551-H554 PolarHBondContact O-N 3.15Å
555	M	83.6	Confident	88.6	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.069	29%	0.293	C	S	.	.	S	Bend	trans	-147.5	156.6	-175.6	76.1	-175.1	72	0	0	112.9	V503 H506 L507 W550 A551 I559 I560	V503-M555 HydrophobicContact CG1-SD 4.5Å; H506-M555 HydrophobicContact CB-CE 3.6Å; L507-M555 HydrophobicContact CD2-CE 3.68Å; L507-M555 HydrophobicContact CG-CE 4.28Å; W550-M555 HydrophobicContact CZ3-CE 4.22Å; A551-M555 HydrophobicContact CB-CE 3.66Å; A551-M555 HydrophobicContact CB-CG 4.07Å; A551-M555 HydrophobicContact CB-SD 3.92Å; A551-M555 VanDerWaalsContact O-CG 3.31Å; A551-M555 WeakPolarHBondContact O-CG 3.36Å; A551-M555 PolarHBondContact O-N 3.12Å; M555-I559 HydrophobicContact CB-CD1 3.74Å; M555-I559 HydrophobicContact CB-CG1 3.87Å; M555-I559 HydrophobicContact CG-CD1 4.32Å; M555-I559 HydrophobicContact CG-CG1 3.93Å; M555-I559 HydrophobicContact SD-CD1 4.49Å; M555-I559 HydrophobicContact SD-CG1 4.12Å; M555-I560 HydrophobicContact CG-CG1 3.59Å; M555-I560 HydrophobicContact SD-CB 4.5Å; M555-I560 HydrophobicContact SD-CG1 4.06Å
556	A	71	Confident	88.5	Confident	37 Å²	37	57.1 Å²	57.1	31%	0.306	29%	0.288	S	S	.	.			trans	-65.1	145.9	-179.3	0	0	0	0	0	111.8	Y558 I559	A556-Y558 HydrophobicContact CB-CD1 3.94Å; A556-Y558 HydrophobicContact CB-CE1 3.46Å; A556-Y558 VanDerWaalsContact CB-CE1 3.46Å; A556-Y558 PolarHBondContact O-N 3.36Å; A556-I559 HydrophobicContact CB-CG1 4.39Å; A556-I559 VanDerWaalsContact O-CG1 3.22Å; A556-I559 WeakPolarHBondContact O-CG1 3.46Å; A556-I559 PolarHBondContact O-N 2.94Å
557	P	80.5	Confident	88.4	Confident	112 Å²	112	53.6 Å²	53.6	73%	0.727	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-54.1	-34.9	-172.2	-30.2	35.7	0	0	0	115.6	I559	P557-I559 VanDerWaalsContact C-N 3.33Å; P557-I559 PolarHBondContact O-N 3.44Å
558	Y	74.4	Confident	88	Confident	111 Å²	111	62.8 Å²	62.8	44%	0.435	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-77.2	-14.9	-176.1	63.9	-91	0	0	0	113.9	Y496 I498 A556	Y496-Y558 AromaticContact CD1-CD2 3.73Å; Y496-Y558 HydrophobicContact CD1-CD2 3.73Å; Y496-Y558 HydrophobicContact CD1-CE2 4.15Å; Y496-Y558 HydrophobicContact CD1-CG 4.02Å; Y496-Y558 HydrophobicContact CE1-CD1 4.34Å; Y496-Y558 HydrophobicContact CE1-CD2 4.23Å; Y496-Y558 HydrophobicContact CE1-CG 4.07Å; Y496-Y558 AromaticContact CG-CD2 3.93Å; Y496-Y558 HydrophobicContact CG-CD2 3.93Å; Y496-Y558 HydrophobicContact CG-CG 4.27Å; I498-Y558 WeakPolarHBondContact CD1-O 3.48Å; I498-Y558 HydrophobicContact CG1-CD2 4.42Å; A556-Y558 HydrophobicContact CB-CD1 3.94Å; A556-Y558 HydrophobicContact CB-CE1 3.46Å; A556-Y558 VanDerWaalsContact CB-CE1 3.46Å; A556-Y558 PolarHBondContact O-N 3.36Å
559	I	83	Confident	87.7	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-99.2	-5.4	176.7	67.1	169.2	0	0	0	113.3	I498 E502 V503 M555 A556 P557	I498-I559 HydrophobicContact CB-CG2 4.49Å; I498-I559 HydrophobicContact CG1-CG2 4.18Å; I498-I559 HydrophobicContact CG2-CB 4.01Å; I498-I559 HydrophobicContact CG2-CG2 3.76Å; E502-I559 HydrophobicContact CG-CD1 4.32Å; V503-I559 HydrophobicContact CG2-CB 3.98Å; V503-I559 WeakPolarHBondContact CG2-O 3.42Å; M555-I559 HydrophobicContact CB-CD1 3.74Å; M555-I559 HydrophobicContact CB-CG1 3.87Å; M555-I559 HydrophobicContact CG-CD1 4.32Å; M555-I559 HydrophobicContact CG-CG1 3.93Å; M555-I559 HydrophobicContact SD-CD1 4.49Å; M555-I559 HydrophobicContact SD-CG1 4.12Å; A556-I559 HydrophobicContact CB-CG1 4.39Å; A556-I559 VanDerWaalsContact O-CG1 3.22Å; A556-I559 WeakPolarHBondContact O-CG1 3.46Å; A556-I559 PolarHBondContact O-N 2.94Å; P557-I559 VanDerWaalsContact C-N 3.33Å; P557-I559 PolarHBondContact O-N 3.44Å
560	I	91.4	Very high	87.5	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.087	32%	0.316	C	S	.	.	S	Bend	trans	-63.8	128.8	-179.3	-63.8	178.4	0	0	0	110.2	K548 A551 R552 M555 T562	K548-I560 HydrophobicContact CB-CG2 4.4Å; K548-I560 HydrophobicContact CG-CG2 3.89Å; A551-I560 HydrophobicContact CB-CB 4.48Å; A551-I560 HydrophobicContact CB-CD1 4.37Å; A551-I560 HydrophobicContact CB-CG1 4.07Å; A551-I560 HydrophobicContact CB-CG2 3.85Å; R552-I560 HydrophobicContact CB-CD1 4.31Å; R552-I560 HydrophobicContact CG-CD1 3.58Å; M555-I560 HydrophobicContact CG-CG1 3.59Å; M555-I560 HydrophobicContact SD-CB 4.5Å; M555-I560 HydrophobicContact SD-CG1 4.06Å; I560-T562 PolarHBondContact O-N 2.84Å
561	P	93.8	Very high	86.9	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.329	C	S	.	.			trans	-54.4	132.1	174.2	-24.6	31.5	0	0	0	112.9	V503 L507 V530 A532 L547 K548	V503-P561 HydrophobicContact CG1-CG 3.89Å; L507-P561 HydrophobicContact CD1-CG 3.8Å; L507-P561 HydrophobicContact CD2-CG 4.42Å; V530-P561 HydrophobicContact CG1-CB 4.37Å; V530-P561 HydrophobicContact CG1-CG 4.34Å; V530-P561 CarbonylContact O-C 3.56Å; V530-P561 WeakPolarHBondContact O-CA 3.5Å; A532-P561 HydrophobicContact CB-CB 4.01Å; A532-P561 HydrophobicContact CB-CG 4.03Å; L547-P561 HydrophobicContact CD2-CB 4.31Å; L547-P561 HydrophobicContact CD2-CG 4.45Å; K548-P561 WeakPolarHBondContact CE-O 3.31Å
562	T	92.2	Very high	86.5	Confident	68 Å²	68	69.5 Å²	69.5	42%	0.417	35%	0.346	S	S	.	.	S	Bend	trans	-107.7	-5.5	173.1	54.4	0	0	0	0	112.6	V530 L544 I560	V530-T562 PolarHBondContact O-N 3.47Å; L544-T562 VanDerWaalsContact CD2-O 3.26Å; L544-T562 WeakPolarHBondContact CD2-O 3.37Å; I560-T562 PolarHBondContact O-N 2.84Å
563	G	92.5	Very high	85.8	Confident	9 Å²	9	64.7 Å²	64.7	9%	0.093	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.8	164.3	0	0	0	0	0	111.8	V530 T531 A532	V530-G563 PolarHBondContact O-N 3.43Å; T531-G563 WeakPolarHBondContact CA-O 3.39Å; A532-G563 PolarHBondContact N-O 3.24Å
564	L	95.6	Very high	84.7	Confident	37 Å²	37	62.1 Å²	62.1	19%	0.194	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.6	173.7	176.1	60.3	0	0	0	109	A532 V534 L542 L544 L547 L566	A532-L564 HydrophobicContact CB-CD1 4.4Å; A532-L564 CarbonylContact O-C 3.57Å; A532-L564 VanDerWaalsContact O-CA 3.32Å; A532-L564 WeakPolarHBondContact O-CA 3.38Å; V534-L564 HydrophobicContact CB-CD1 3.9Å; V534-L564 HydrophobicContact CG2-CD1 3.52Å; L542-L564 HydrophobicContact CG-CD2 4.45Å; L542-L564 WeakPolarHBondContact O-CD2 3.42Å; L544-L564 HydrophobicContact CB-CB 4.02Å; L544-L564 HydrophobicContact CB-CD2 4.39Å; L544-L564 HydrophobicContact CD1-CB 3.91Å; L547-L564 HydrophobicContact CD2-CB 4.43Å; L547-L564 HydrophobicContact CD2-CD1 3.86Å; L547-L564 HydrophobicContact CD2-CD2 4.28Å; L547-L564 HydrophobicContact CD2-CG 4.42Å; L564-L566 HydrophobicContact CD1-CD2 3.95Å; L564-L566 HydrophobicContact CD2-CD2 4.24Å; L564-L566 HydrophobicContact CG-CD2 4.12Å
565	V	94.9	Very high	84.2	Confident	33 Å²	33	58.6 Å²	58.6	20%	0.2	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.6	172.5	179.4	0	0	0	0	107	T531 A532 V533 V534 V567 F587	T531-V565 HydrophobicContact CG2-CG2 3.99Å; A532-V565 PolarHBondContact O-N 2.85Å; V533-V565 CarbonylContact C-O 3.57Å; V533-V565 VanDerWaalsContact CA-O 3.31Å; V533-V565 WeakPolarHBondContact CA-O 3.48Å; V533-V565 HydrophobicContact CG1-CB 4.43Å; V533-V565 HydrophobicContact CG1-CG1 4.42Å; V533-V565 HydrophobicContact CG2-CB 4.26Å; V534-V565 PolarHBondContact N-O 3.49Å; V565-V567 HydrophobicContact CG1-CG1 4.44Å; V565-F587 HydrophobicContact CG1-CB 4.42Å; V565-F587 HydrophobicContact CG1-CD1 3.54Å; V565-F587 HydrophobicContact CG1-CE1 3.86Å; V565-F587 HydrophobicContact CG1-CG 4.01Å; V565-F587 HydrophobicContact CG2-CB 4.37Å
566	L	94.2	Very high	83.3	Confident	87 Å²	87	58.4 Å²	58.4	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.4	175.2	-58.7	-177.5	0	0	0	110	V534 L536 L564	V534-L566 HydrophobicContact CB-CD2 4.04Å; V534-L566 HydrophobicContact CG1-CD2 4.26Å; V534-L566 WeakPolarHBondContact O-CA 3.41Å; L536-L566 HydrophobicContact CD1-CD1 4.04Å; L536-L566 HydrophobicContact CD1-CD2 3.91Å; L536-L566 HydrophobicContact CG-CD2 4.17Å; L564-L566 HydrophobicContact CD1-CD2 3.95Å; L564-L566 HydrophobicContact CD2-CD2 4.24Å; L564-L566 HydrophobicContact CG-CD2 4.12Å
567	V	93.1	Very high	83.4	Confident	24 Å²	24	60.6 Å²	60.6	15%	0.145	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.1	175.7	-62.9	0	0	0	0	110.5	V533 V534 Q535 V565 M570 F587	V533-V567 HydrophobicContact CG1-CG1 3.66Å; V533-V567 HydrophobicContact CG1-CG2 4.13Å; V534-V567 PolarHBondContact O-N 3.46Å; Q535-V567 HydrophobicContact CB-CG2 4.21Å; V565-V567 HydrophobicContact CG1-CG1 4.44Å; V567-M570 HydrophobicContact CG2-CE 4.07Å; V567-F587 HydrophobicContact CG1-CE1 4.18Å; V567-F587 HydrophobicContact CG1-CE2 4.3Å; V567-F587 HydrophobicContact CG1-CZ 3.68Å
568	E	87.4	Confident	83.4	Confident	194 Å²	194	56.9 Å²	56.9	91%	0.907	28%	0.284	S	S	*	.	S	Bend	trans	-69.3	-41	174.8	-65.1	-172.7	168.4	0	0	111.6	Q535	Q535-E568 WeakPolarHBondContact CG-O 3.49Å; Q535-E568 PolarHBondContact NE2-O 2.96Å
569	E	85.9	Confident	83.6	Confident	151 Å²	151	54 Å²	54	71%	0.706	28%	0.276	S	S	*	.	S	Bend	trans	-139.9	136.8	176.2	-171.1	174.7	-171	0	0	110.9	P571	E569-P571 WeakPolarHBondContact O-CD 3.25Å
570	M	89.1	Confident	83.7	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.03	28%	0.279	C	S	.	.			trans	-71.5	121.1	176.7	-171.2	60.1	60.1	0	0	111.3	D515 A517 V533 Q535 V567 R572 V578 L583	D515-M570 HydrophobicContact CB-CB 4.28Å; D515-M570 VanDerWaalsContact OD2-CB 3.23Å; D515-M570 WeakPolarHBondContact OD2-CB 3.23Å; D515-M570 WeakPolarHBondContact OD2-CG 3.23Å; A517-M570 HydrophobicContact CB-CE 4.21Å; A517-M570 HydrophobicContact CB-SD 3.86Å; V533-M570 HydrophobicContact CG1-CE 4.25Å; V533-M570 WeakPolarHBondContact O-CE 3.39Å; Q535-M570 VanDerWaalsContact OE1-N 3.17Å; V567-M570 HydrophobicContact CG2-CE 4.07Å; M570-R572 HydrophobicContact CG-CG 4.31Å; M570-R572 PolarHBondContact O-N 3.05Å; M570-V578 HydrophobicContact CG-CG2 3.68Å; M570-V578 HydrophobicContact SD-CG1 4.42Å; M570-V578 HydrophobicContact SD-CG2 4.18Å; M570-L583 HydrophobicContact SD-CD1 4.39Å
571	P	81.4	Confident	83.2	Confident	67 Å²	67	56.2 Å²	56.2	44%	0.435	29%	0.285	S	S	.	.			trans	-69.8	118.2	179.7	27.8	-34.1	0	0	0	110.7	E569 L583	E569-P571 WeakPolarHBondContact O-CD 3.25Å; P571-L583 HydrophobicContact CG-CD2 3.41Å; P571-L583 VanDerWaalsContact CG-CD2 3.41Å; P571-L583 HydrophobicContact CG-CG 4.37Å
572	R	79.1	Confident	82.6	Confident	95 Å²	95	59.8 Å²	59.8	36%	0.358	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-129.5	148.6	-177.5	-70.1	175.5	177.3	-81.2	-2.6	111.2	D515 M570 G576 K577 V578	D515-R572 IonicContact OD1-CZ 2.69Å; D515-R572 IonicContact OD1-NH2 2.8Å; D515-R572 PolarHBondContact OD1-NH2 2.79Å; D515-R572 IonicContact OD2-CZ 3.27Å; D515-R572 IonicContact OD2-NE 2.79Å; D515-R572 PolarHBondContact OD2-NE 3.28Å; D515-R572 IonicContact OD2-NH2 3.92Å; D515-R572 PolarHBondContact OD2-NH2 3.19Å; M570-R572 HydrophobicContact CG-CG 4.31Å; M570-R572 PolarHBondContact O-N 3.05Å; R572-G576 WeakPolarHBondContact CD-O 3.3Å; R572-G576 PolarHBondContact NH1-O 2.95Å; R572-K577 CarbonylContact C-O 3.6Å; R572-K577 VanDerWaalsContact CA-O 3.32Å; R572-K577 WeakPolarHBondContact CA-O 3.48Å; R572-V578 HydrophobicContact CG-CG2 3.83Å
573	N	74.9	Confident	82.2	Confident	57 Å²	57	56.7 Å²	56.7	31%	0.305	29%	0.285	S	S	.	.			trans	-76.1	-178.9	169.4	78	7.9	0	0	0	111.4	M575 G576 K577	N573-M575 PolarHBondContact O-N 3.11Å; N573-M575 WeakPolarHBondContact OD1-CA 3.28Å; N573-M575 PolarHBondContact OD1-N 3.31Å; N573-G576 WeakPolarHBondContact O-CA 3.32Å; N573-G576 PolarHBondContact O-N 2.81Å; N573-G576 PolarHBondContact OD1-N 3.33Å; N573-K577 PolarHBondContact N-O 3.02Å; N573-K577 WeakPolarHBondContact OD1-CB 3.24Å; N573-K577 PolarHBondContact OD1-N 2.76Å
574	Q	62	Low	81.8	Confident	100 Å²	100	59 Å²	59	47%	0.467	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.3	-175	-62.7	-68.1	-26.2	0	0	114.2	Y142	Y142-Q574 HydrophobicContact CE1-CB 4.05Å; Y142-Q574 HydrophobicContact CE1-CG 3.9Å
575	M	67.6	Low	81.2	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.044	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	9.3	171.1	-68.4	-56.8	-65.2	0	0	112.9	P263 H266 V313 N573 K577	P263-M575 HydrophobicContact CB-SD 4.48Å; P263-M575 HydrophobicContact CG-SD 3.87Å; H266-M575 HydrophobicContact CB-SD 4.4Å; H266-M575 WeakPolarHBondContact CD2-CG 3.41Å; H266-M575 PolarHBondContact CD2-SD 3.48Å; H266-M575 WeakPolarHBondContact NE2-CG 3.46Å; V313-M575 HydrophobicContact CG1-CE 3.66Å; N573-M575 PolarHBondContact O-N 3.11Å; N573-M575 WeakPolarHBondContact OD1-CA 3.28Å; N573-M575 PolarHBondContact OD1-N 3.31Å; M575-K577 VanDerWaalsContact C-N 3.26Å; M575-K577 HydrophobicContact CB-CG 4.25Å; M575-K577 PolarHBondContact O-N 3.01Å
576	G	66.2	Low	80.5	Confident	10 Å²	10	71 Å²	71	10%	0.103	34%	0.34	C	S	.	.	S	Bend	trans	68	22	-174.8	0	0	0	0	0	113.1	T315 R572 N573	T315-G576 VanDerWaalsContact CG2-O 3.29Å; T315-G576 WeakPolarHBondContact CG2-O 3.46Å; R572-G576 WeakPolarHBondContact CD-O 3.3Å; R572-G576 PolarHBondContact NH1-O 2.95Å; N573-G576 WeakPolarHBondContact O-CA 3.32Å; N573-G576 PolarHBondContact O-N 2.81Å; N573-G576 PolarHBondContact OD1-N 3.33Å
577	K	71.6	Confident	79.8	Confident	83 Å²	83	70.2 Å²	70.2	36%	0.361	33%	0.333	S	S	.	.			trans	-90.2	138.3	176.4	-57.9	-173.5	-179.6	-158.4	0	110.9	S352 R572 N573 M575	S352-K577 WeakPolarHBondContact O-CE 3.25Å; S352-K577 PolarHBondContact O-NZ 3.05Å; R572-K577 CarbonylContact C-O 3.6Å; R572-K577 VanDerWaalsContact CA-O 3.32Å; R572-K577 WeakPolarHBondContact CA-O 3.48Å; N573-K577 PolarHBondContact N-O 3.02Å; N573-K577 WeakPolarHBondContact OD1-CB 3.24Å; N573-K577 PolarHBondContact OD1-N 2.76Å; M575-K577 VanDerWaalsContact C-N 3.26Å; M575-K577 HydrophobicContact CB-CG 4.25Å; M575-K577 PolarHBondContact O-N 3.01Å
578	V	80.3	Confident	78.5	Confident	34 Å²	34	70.2 Å²	70.2	21%	0.206	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-77.6	133.6	171.8	178.7	0	0	0	0	110	A517 M570 R572 K580 L583	A517-V578 HydrophobicContact CB-CG1 3.86Å; A517-V578 HydrophobicContact CB-CG2 4.48Å; M570-V578 HydrophobicContact CG-CG2 3.68Å; M570-V578 HydrophobicContact SD-CG1 4.42Å; M570-V578 HydrophobicContact SD-CG2 4.18Å; R572-V578 HydrophobicContact CG-CG2 3.83Å; V578-K580 HydrophobicContact CG1-CG 4.31Å; V578-K580 PolarHBondContact O-N 3.26Å; V578-L583 HydrophobicContact CG1-CD1 3.31Å; V578-L583 HydrophobicContact CG1-CG 4.03Å
579	N	80.3	Confident	76.9	Confident	51 Å²	51	68.3 Å²	68.3	27%	0.273	34%	0.339	S	S	.	.			trans	-91.3	93.7	168.5	-170.7	-10.5	0	0	0	110.5	K581 D582 L583	N579-K581 PolarHBondContact O-N 3.47Å; N579-K581 PolarHBondContact OD1-N 3.35Å; N579-K581 VanDerWaalsContact OD1-N 3.16Å; N579-D582 HydrophobicContact CB-CB 4.25Å; N579-D582 VanDerWaalsContact CG-OD2 3.29Å; N579-D582 VanDerWaalsContact ND2-CG 3.26Å; N579-D582 PolarHBondContact ND2-OD2 2.79Å; N579-D582 PolarHBondContact O-N 3.05Å; N579-D582 VanDerWaalsContact O-N 3.15Å; N579-L583 PolarHBondContact O-N 2.94Å; N579-L583 VanDerWaalsContact O-N 3.09Å
580	K	84.3	Confident	76.5	Confident	17 Å²	17	64.2 Å²	64.2	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-22.8	-178.4	-70.7	-174	-179.7	-174.5	0	114.6	D489 E504 V518 I519 V578 L584	D489-K580 WeakPolarHBondContact OD1-CD 3.41Å; D489-K580 WeakPolarHBondContact OD1-CE 3.48Å; D489-K580 IonicContact OD1-NZ 3.72Å; D489-K580 PolarHBondContact OD1-NZ 3.25Å; E504-K580 WeakPolarHBondContact OE1-CE 3.44Å; E504-K580 IonicContact OE1-NZ 3.52Å; E504-K580 PolarHBondContact OE1-NZ 3.08Å; E504-K580 IonicContact OE2-NZ 3.61Å; V518-K580 WeakPolarHBondContact O-CD 3.48Å; V518-K580 VanDerWaalsContact O-CE 3.32Å; V518-K580 WeakPolarHBondContact O-CE 3.28Å; V518-K580 PolarHBondContact O-NZ 2.97Å; I519-K580 HydrophobicContact CG2-CB 4.08Å; I519-K580 HydrophobicContact CG2-CD 4.44Å; I519-K580 HydrophobicContact CG2-CG 4.17Å; V578-K580 HydrophobicContact CG1-CG 4.31Å; V578-K580 PolarHBondContact O-N 3.26Å; K580-L584 VanDerWaalsContact O-CB 3.26Å; K580-L584 WeakPolarHBondContact O-CB 3.12Å; K580-L584 PolarHBondContact O-N 3.21Å
581	K	79.9	Confident	75.8	Confident	48 Å²	48	67.3 Å²	67.3	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-73.3	-38.5	175.7	-63.6	-164.1	-170.1	169	0	112	T225 V488 N579 L584 R585	T225-K581 WeakPolarHBondContact O-CD 3.44Å; T225-K581 WeakPolarHBondContact O-CE 3.26Å; T225-K581 PolarHBondContact O-NZ 3.33Å; V488-K581 HydrophobicContact CG1-CD 4.11Å; V488-K581 HydrophobicContact CG1-CG 3.61Å; N579-K581 PolarHBondContact O-N 3.47Å; N579-K581 PolarHBondContact OD1-N 3.35Å; N579-K581 VanDerWaalsContact OD1-N 3.16Å; K581-L584 PolarHBondContact O-N 3.32Å; K581-R585 WeakPolarHBondContact O-CG 3.44Å; K581-R585 PolarHBondContact O-N 2.97Å
582	D	81.4	Confident	75.5	Confident	76 Å²	76	67.3 Å²	67.3	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-40.8	175.5	-64.8	-18.9	0	0	0	109.7	N579 L584 R585 H586	N579-D582 HydrophobicContact CB-CB 4.25Å; N579-D582 VanDerWaalsContact CG-OD2 3.29Å; N579-D582 VanDerWaalsContact ND2-CG 3.26Å; N579-D582 PolarHBondContact ND2-OD2 2.79Å; N579-D582 PolarHBondContact O-N 3.05Å; N579-D582 VanDerWaalsContact O-N 3.15Å; D582-L584 VanDerWaalsContact C-N 3.34Å; D582-L584 PolarHBondContact O-N 3.4Å; D582-R585 PolarHBondContact O-N 2.69Å; D582-R585 IonicContact OD1-NH1 3.82Å; D582-R585 PolarHBondContact OD1-NH1 3.27Å; D582-H586 VanDerWaalsContact O-CB 3.24Å; D582-H586 WeakPolarHBondContact O-CB 3.37Å; D582-H586 PolarHBondContact O-N 3.11Å
583	L	84.9	Confident	75.3	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-56.4	-47.2	169.5	-70.8	-174.7	0	0	0	112.1	A517 I519 V533 M570 P571 V578 N579 R585 H586 F587	A517-L583 HydrophobicContact CB-CD1 3.53Å; I519-L583 HydrophobicContact CG2-CB 4.15Å; I519-L583 HydrophobicContact CG2-CD1 4.38Å; V533-L583 HydrophobicContact CG1-CD2 4.49Å; V533-L583 HydrophobicContact CG2-CD1 4.45Å; M570-L583 HydrophobicContact SD-CD1 4.39Å; P571-L583 HydrophobicContact CG-CD2 3.41Å; P571-L583 VanDerWaalsContact CG-CD2 3.41Å; P571-L583 HydrophobicContact CG-CG 4.37Å; V578-L583 HydrophobicContact CG1-CD1 3.31Å; V578-L583 HydrophobicContact CG1-CG 4.03Å; N579-L583 PolarHBondContact O-N 2.94Å; N579-L583 VanDerWaalsContact O-N 3.09Å; L583-R585 PolarHBondContact O-N 3.21Å; L583-H586 PolarHBondContact O-N 2.9Å; L583-F587 HydrophobicContact CB-CD2 4.33Å; L583-F587 HydrophobicContact CD2-CD2 3.77Å; L583-F587 HydrophobicContact CD2-CE2 3.47Å; L583-F587 VanDerWaalsContact CD2-CE2 3.47Å; L583-F587 WeakPolarHBondContact O-CB 3.33Å; L583-F587 WeakPolarHBondContact O-CD2 3.46Å; L583-F587 PolarHBondContact O-N 3.49Å
584	L	83.6	Confident	75.3	Confident	56 Å²	56	66.2 Å²	66.2	29%	0.293	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-44.6	179	-171	72.1	0	0	0	111.5	I519 G520 K580 K581 D582 H586 S588	I519-L584 HydrophobicContact CB-CD1 4.36Å; I519-L584 HydrophobicContact CD1-CD1 4.12Å; I519-L584 HydrophobicContact CG1-CD1 4.47Å; G520-L584 WeakPolarHBondContact O-CD1 3.28Å; K580-L584 VanDerWaalsContact O-CB 3.26Å; K580-L584 WeakPolarHBondContact O-CB 3.12Å; K580-L584 PolarHBondContact O-N 3.21Å; K581-L584 PolarHBondContact O-N 3.32Å; D582-L584 VanDerWaalsContact C-N 3.34Å; D582-L584 PolarHBondContact O-N 3.4Å; L584-H586 VanDerWaalsContact C-N 3.34Å; L584-H586 PolarHBondContact O-N 3.18Å; L584-S588 CarbonylContact O-C 3.56Å; L584-S588 VanDerWaalsContact O-CA 3.28Å; L584-S588 WeakPolarHBondContact O-CA 3.39Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 2.79Å
585	R	82.8	Confident	76.2	Confident	179 Å²	179	63.9 Å²	63.9	68%	0.675	32%	0.321	S	S	*	.	H	α-helix	trans	-63.8	-38.1	176.2	-73.5	172.9	-175.7	165.4	-4.1	112.7	K581 D582 L583	K581-R585 WeakPolarHBondContact O-CG 3.44Å; K581-R585 PolarHBondContact O-N 2.97Å; D582-R585 PolarHBondContact O-N 2.69Å; D582-R585 IonicContact OD1-NH1 3.82Å; D582-R585 PolarHBondContact OD1-NH1 3.27Å; L583-R585 PolarHBondContact O-N 3.21Å
586	H	80.2	Confident	76.8	Confident	143 Å²	143	67.9 Å²	67.9	66%	0.662	34%	0.34	S	S	*	.	H	α-helix	trans	-81.6	-39.9	-173.4	-165.4	80.2	0	0	0	112.5	D582 L583 L584	D582-H586 VanDerWaalsContact O-CB 3.24Å; D582-H586 WeakPolarHBondContact O-CB 3.37Å; D582-H586 PolarHBondContact O-N 3.11Å; L583-H586 PolarHBondContact O-N 2.9Å; L584-H586 VanDerWaalsContact C-N 3.34Å; L584-H586 PolarHBondContact O-N 3.18Å
587	F	79	Confident	77.6	Confident	71 Å²	71	72.3 Å²	72.3	31%	0.311	36%	0.359	S	S	.	.	H	α-helix	trans	-108.6	-4.1	-172.5	-60.4	-69.7	0	0	0	114	V533 V565 V567 L583	V533-F587 HydrophobicContact CG1-CE2 4.48Å; V565-F587 HydrophobicContact CG1-CB 4.42Å; V565-F587 HydrophobicContact CG1-CD1 3.54Å; V565-F587 HydrophobicContact CG1-CE1 3.86Å; V565-F587 HydrophobicContact CG1-CG 4.01Å; V565-F587 HydrophobicContact CG2-CB 4.37Å; V567-F587 HydrophobicContact CG1-CE1 4.18Å; V567-F587 HydrophobicContact CG1-CE2 4.3Å; V567-F587 HydrophobicContact CG1-CZ 3.68Å; L583-F587 HydrophobicContact CB-CD2 4.33Å; L583-F587 HydrophobicContact CD2-CD2 3.77Å; L583-F587 HydrophobicContact CD2-CE2 3.47Å; L583-F587 VanDerWaalsContact CD2-CE2 3.47Å; L583-F587 WeakPolarHBondContact O-CB 3.33Å; L583-F587 WeakPolarHBondContact O-CD2 3.46Å; L583-F587 PolarHBondContact O-N 3.49Å
588	S	66.1	Low	78.2	Confident	25 Å²	25	71.4 Å²	71.4	18%	0.175	36%	0.358	C	S	.	.			trans	-148.6	61.3	176.3	178.7	0	0	0	0	111.3	A521 L584	A521-S588 WeakPolarHBondContact CB-OG 3.2Å; L584-S588 CarbonylContact O-C 3.56Å; L584-S588 VanDerWaalsContact O-CA 3.28Å; L584-S588 WeakPolarHBondContact O-CA 3.39Å; L584-S588 WeakPolarHBondContact O-CB 3.42Å; L584-S588 PolarHBondContact O-N 2.79Å
589	P	55	Low	78	Confident	154 Å²	154	74.8 Å²	74.8	100%	1	37%	0.372	S	S	*	.			trans	-56.8	0	-175.8	22.6	-32.4	0	0	0	114.8

Retrieved 589 of 589 residues in 985.8 ms (Link to these results)

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