A0A087YKC7_POEFO Loading...

Medium-chain acyl-CoA ligase ACSF2, mitochondrial

Acyl-CoA synthases catalyze the initial reaction in fatty acid metabolism, by forming a thioester with CoA. Has some preference toward medium-chain substrates. Plays a role in adipocyte differentiation.

AlphaFold DB , UniProt , Accession A0A087YKC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 611 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	32.4	Very low	29.9	Very low	236 Å²	236	136.6 Å²	136.6	100%	1.163	81%	0.806	S	S	*	*				0	115.7	0	-93.8	165	171	0	0	108
2	V	32.3	Very low	29.6	Very low	136 Å²	136	141.1 Å²	141.1	82%	0.824	81%	0.808	S	S	*	*			trans	34.4	101.3	143.6	-170.8	0	0	0	0	115.6
3	I	28.4	Very low	29.5	Very low	148 Å²	148	141.4 Å²	141.4	76%	0.759	80%	0.804	S	S	*	*			cis	58.8	136.7	47.5	-61.9	-178.4	0	0	0	111.6
4	P	46.2	Very low	29.5	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	81%	0.814	S	S	*	*			cis	-122.1	-132.1	25.2	18.1	9	0	0	0	114.3
5	T	30.4	Very low	29.5	Very low	135 Å²	135	154.7 Å²	154.7	83%	0.828	82%	0.818	S	S	*	*				-142	179.1	-93.7	47.8	0	0	0	0	108.5
6	A	28.6	Very low	29.5	Very low	95 Å²	95	154.4 Å²	154.4	79%	0.785	82%	0.824	S	S	*	*			cis	-144.6	158.7	8.1	0	0	0	0	0	108.3
7	G	26.1	Very low	29.3	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	82%	0.824	S	S	*	*				94.7	134.9	61.3	0	0	0	0	0	109.9
8	F	26.7	Very low	29.3	Very low	198 Å²	198	147.3 Å²	147.3	87%	0.868	82%	0.816	S	S	*	*			cis	-160.3	175.2	7.9	-124.5	-96.2	0	0	0	110.3
9	C	24	Very low	29.3	Very low	108 Å²	108	150.4 Å²	150.4	73%	0.73	82%	0.821	S	S	*	*			trans	2	160.8	154.1	-78.3	0	0	0	0	122.7
10	S	26.1	Very low	29.3	Very low	100 Å²	100	149.1 Å²	149.1	70%	0.699	82%	0.823	S	S	*	*			cis	-173	168.7	2.4	40.9	0	0	0	0	111.5
11	Q	27.4	Very low	29.5	Very low	167 Å²	167	146.5 Å²	146.5	78%	0.78	82%	0.821	S	S	*	*			trans	3.1	136	153.9	-60.7	174.1	-14.2	0	0	120
12	F	27.1	Very low	29.8	Very low	190 Å²	190	140.6 Å²	140.6	83%	0.833	80%	0.801	S	S	*	*				-174.4	163.2	110.8	-119.5	-95.5	0	0	0	113.9
13	L	28.4	Very low	29.6	Very low	145 Å²	145	141.8 Å²	141.8	76%	0.759	80%	0.802	S	S	*	*			trans	-81.1	149.5	174.6	-57.7	92.9	0	0	0	112.6
14	R	28.3	Very low	29.7	Very low	249 Å²	249	145.5 Å²	145.5	94%	0.94	81%	0.806	S	S	*	*				179.2	162.7	116.4	-99	171	-177.7	-156.9	1.2	114.3
15	R	29.8	Very low	28.9	Very low	234 Å²	234	145.5 Å²	145.5	88%	0.883	80%	0.804	S	S	*	*			trans	-69.9	146	176.2	-58	168.7	171.3	179.8	-4.8	112
16	T	29.3	Very low	28.8	Very low	149 Å²	149	147 Å²	147	91%	0.914	80%	0.799	S	S	*	*				-166.4	154.8	125.1	18.9	0	0	0	0	110.6
17	A	27.3	Very low	29.1	Very low	98 Å²	98	153.6 Å²	153.6	81%	0.81	80%	0.804	S	S	*	*			trans	-95.5	156.1	179.6	0	0	0	0	0	111.9
18	A	28	Very low	29.3	Very low	84 Å²	84	154.8 Å²	154.8	69%	0.694	81%	0.807	S	S	*	*				158.4	139.2	116.5	0	0	0	0	0	114.2
19	F	29.8	Very low	29.5	Very low	205 Å²	205	150.9 Å²	150.9	90%	0.899	80%	0.801	S	S	*	*			trans	37.7	108.6	157.7	-62.4	-71	0	0	0	121.5
20	S	28.7	Very low	29.8	Very low	124 Å²	124	157.8 Å²	157.8	87%	0.867	81%	0.812	S	S	*	*				177.6	135.7	102.9	48.8	0	0	0	0	112
21	A	33.8	Very low	30.1	Very low	95 Å²	95	159.1 Å²	159.1	79%	0.785	82%	0.816	S	S	*	*			trans	-114.1	150	164.9	0	0	0	0	0	106.6
22	P	39.5	Very low	30.5	Very low	113 Å²	113	162.6 Å²	162.6	73%	0.734	82%	0.822	S	S	*	*			cis	-143.9	167.8	41.2	40.7	-22.8	0	0	0	116.9
23	L	27.2	Very low	30.7	Very low	161 Å²	161	162.5 Å²	162.5	84%	0.843	83%	0.825	S	S	*	*				174.2	162.9	125.5	-95.5	150.9	0	0	0	112.5
24	R	30.2	Very low	31.1	Very low	226 Å²	226	161.6 Å²	161.6	85%	0.853	83%	0.827	S	S	*	*			trans	-62	165.1	-174.6	-56.9	170.6	176.6	-177.4	-2.7	111.1
25	V	30.2	Very low	31.5	Very low	113 Å²	113	153 Å²	153	69%	0.685	82%	0.817	S	S	*	*			cis	-162.3	159.2	42.8	-165.7	0	0	0	0	111.4
26	F	27.4	Very low	31.7	Very low	167 Å²	167	149.7 Å²	149.7	73%	0.732	82%	0.816	S	S	*	*			trans	119.3	105.2	147.4	-73.6	-70	0	0	0	120.2
27	R	36.8	Very low	32.2	Very low	232 Å²	232	147.4 Å²	147.4	88%	0.875	80%	0.803	S	S	*	*			trans	44.3	109.6	136.6	-71.9	179.5	174.2	-179.3	-2.9	119.7
28	A	29	Very low	32.8	Very low	92 Å²	92	147.8 Å²	147.8	76%	0.76	81%	0.807	S	S	*	*			trans	-126.3	151.6	141.1	0	0	0	0	0	109
29	P	30.6	Very low	33.4	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	80%	0.803	S	S	*	*			trans	-83.3	146.6	-164.1	32.6	-35.7	0	0	0	113.7	T31	P29-T31 PolarHBondContact O-N 2.7Å; P29-T31 VanDerWaalsContact O-N 3.09Å
30	W	30.1	Very low	34.1	Very low	253 Å²	253	141.3 Å²	141.3	96%	0.958	79%	0.791	S	S	*	*			trans	-71.2	99.8	169.9	-80.2	59.1	0	0	0	110.4	R32	W30-R32 PolarHBondContact O-N 3.21Å; W30-R32 VanDerWaalsContact O-N 3.14Å
31	T	33.2	Very low	34.9	Very low	128 Å²	128	139.4 Å²	139.4	79%	0.785	78%	0.783	S	S	*	*			trans	-68.2	105	163.8	46.7	0	0	0	0	109.2	P29 Q33	P29-T31 PolarHBondContact O-N 2.7Å; P29-T31 VanDerWaalsContact O-N 3.09Å; T31-Q33 PolarHBondContact O-N 2.94Å
32	R	35.2	Very low	35.6	Very low	240 Å²	240	138.7 Å²	138.7	91%	0.906	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-55.5	122.1	167.2	-78.6	-178.7	170.3	179.7	-3.7	108.9	W30	W30-R32 PolarHBondContact O-N 3.21Å; W30-R32 VanDerWaalsContact O-N 3.14Å
33	Q	32.1	Very low	36.6	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.1	130.7	160.2	-79.2	-172.8	-27.1	0	0	108.6	T31	T31-Q33 PolarHBondContact O-N 2.94Å
34	P	36.4	Very low	38.6	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-81	128	178.5	30.1	-30.5	0	0	0	110.8
35	G	37.9	Very low	41.3	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	70%	0.702	S	S	*	*			trans	63.6	65.1	147.4	0	0	0	0	0	117.7
36	L	33.7	Very low	44.2	Very low	164 Å²	164	123.1 Å²	123.1	86%	0.859	69%	0.688	S	S	*	*				-62.8	127.7	125	-85.6	162.2	0	0	0	105.8
37	P	39.2	Very low	47.3	Very low	101 Å²	101	115.3 Å²	115.3	66%	0.656	65%	0.654	S	S	*	*			trans	-56.7	159.8	163.9	28.4	-34.1	0	0	0	107.9	A39	P37-A39 PolarHBondContact O-N 3.37Å
38	A	40.3	Very low	49.9	Very low	106 Å²	106	106.8 Å²	106.8	88%	0.876	63%	0.626	S	S	*	*			trans	-66.5	76.3	166.9	0	0	0	0	0	108.8	A40	A38-A40 PolarHBondContact O-N 3.4Å; A38-A40 VanDerWaalsContact O-N 3.11Å
39	A	40.3	Very low	52.9	Low	76 Å²	76	105.6 Å²	105.6	63%	0.628	61%	0.612	S	S	*	*			trans	-54.1	118.6	173.7	0	0	0	0	0	105.8	P37 A41	P37-A39 PolarHBondContact O-N 3.37Å; A39-A41 PolarHBondContact O-N 3.31Å
40	A	44.1	Very low	55.7	Low	77 Å²	77	101.5 Å²	101.5	64%	0.636	59%	0.585	S	S	*	*			trans	-45.6	101.9	-163.3	0	0	0	0	0	110.5	A38 A42	A38-A40 PolarHBondContact O-N 3.4Å; A38-A40 VanDerWaalsContact O-N 3.11Å; A40-A42 PolarHBondContact O-N 3.07Å; A40-A42 VanDerWaalsContact O-N 3.1Å
41	A	44.8	Very low	58.6	Low	84 Å²	84	90.1 Å²	90.1	69%	0.694	54%	0.544	S	S	*	.			trans	-55	123.8	-175.8	0	0	0	0	0	106.9	A39 R43	A39-A41 PolarHBondContact O-N 3.31Å; A41-R43 WeakPolarHBondContact O-CG 3.25Å; A41-R43 PolarHBondContact O-N 3.32Å
42	A	48.6	Very low	61.2	Low	80 Å²	80	89.9 Å²	89.9	66%	0.661	54%	0.542	S	S	*	.			trans	-53.1	114.1	-166.5	0	0	0	0	0	109.1	A40 N44	A40-A42 PolarHBondContact O-N 3.07Å; A40-A42 VanDerWaalsContact O-N 3.1Å; A42-N44 PolarHBondContact O-N 3.44Å
43	R	60.6	Low	63.8	Low	134 Å²	134	82.8 Å²	82.8	51%	0.506	53%	0.525	S	S	.	.			trans	-76.3	29.8	-168	-56.4	178.9	-177.4	169.6	-0.8	112.7	A41	A41-R43 WeakPolarHBondContact O-CG 3.25Å; A41-R43 PolarHBondContact O-N 3.32Å
44	N	69.1	Low	66.6	Low	59 Å²	59	77.2 Å²	77.2	32%	0.316	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-91.2	147.5	-179.1	-60.1	-26.8	0	0	0	108.4	A42 H62 T64	A42-N44 PolarHBondContact O-N 3.44Å; N44-H62 VanDerWaalsContact CG-ND1 3.32Å; N44-H62 PolarHBondContact OD1-ND1 2.84Å; N44-T64 HydrophobicContact CB-CG2 3.73Å
45	I	87.3	Confident	69.1	Low	6 Å²	6	74.1 Å²	74.1	3%	0.031	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.9	171.1	-57.3	-169.5	0	0	0	107	V47 P51 L56 V61 H62 G63 T64 Y497	I45-V47 HydrophobicContact CB-CG1 4.11Å; I45-V47 HydrophobicContact CG2-CG1 3.68Å; I45-P51 HydrophobicContact CG2-CB 3.81Å; I45-P51 HydrophobicContact CG2-CG 3.42Å; I45-P51 VanDerWaalsContact CG2-CG 3.42Å; I45-L56 HydrophobicContact CD1-CD1 4.15Å; I45-L56 HydrophobicContact CD1-CD2 3.99Å; I45-L56 HydrophobicContact CD1-CG 3.95Å; I45-L56 HydrophobicContact CG1-CD2 4.02Å; I45-L56 HydrophobicContact CG1-CG 4.49Å; I45-V61 HydrophobicContact CD1-CG2 3.53Å; I45-V61 HydrophobicContact CG1-CG2 3.94Å; I45-H62 PolarHBondContact N-O 2.86Å; I45-G63 CarbonylContact O-C 3.55Å; I45-G63 WeakPolarHBondContact O-CA 3.4Å; I45-T64 PolarHBondContact O-N 2.79Å; I45-T64 PolarHBondContact O-OG1 2.64Å; I45-T64 VanDerWaalsContact O-OG1 3.14Å; I45-Y497 WeakPolarHBondContact CD1-O 3.4Å
46	H	91.2	Very high	71.7	Confident	87 Å²	87	71.2 Å²	71.2	40%	0.403	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.9	169.1	-170.3	-94.5	0	0	0	108.6	D48 T64 S66	H46-D48 VanDerWaalsContact CE1-CG 3.46Å; H46-D48 IonicContact CE1-OD2 2.72Å; H46-D48 PolarHBondContact CE1-OD2 3.29Å; H46-D48 IonicContact ND1-OD2 2.61Å; H46-D48 IonicContact NE2-OD2 3.52Å; H46-D48 PolarHBondContact NE2-OD2 3.34Å; H46-T64 CarbonylContact C-O 3.58Å; H46-T64 WeakPolarHBondContact CA-O 3.44Å; H46-T64 WeakPolarHBondContact CA-OG1 3.34Å; H46-S66 PolarHBondContact CE1-OG 2.63Å; H46-S66 VanDerWaalsContact CE1-OG 3.29Å; H46-S66 PolarHBondContact NE2-OG 2.8Å
47	V	93.4	Very high	74.4	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.012	44%	0.439	C	S	.	.			trans	-113.4	14.3	-163.3	-65.9	0	0	0	0	114.5	I45 S49 T64 Y432 I433 D435	I45-V47 HydrophobicContact CB-CG1 4.11Å; I45-V47 HydrophobicContact CG2-CG1 3.68Å; V47-S49 PolarHBondContact O-N 3.5Å; V47-T64 WeakPolarHBondContact CG2-O 3.39Å; V47-T64 PolarHBondContact N-O 2.61Å; V47-Y432 HydrophobicContact CB-CD2 4.07Å; V47-Y432 HydrophobicContact CB-CE2 3.85Å; V47-Y432 HydrophobicContact CG1-CD2 3.76Å; V47-Y432 HydrophobicContact CG1-CE2 4.06Å; V47-I433 HydrophobicContact CG1-CG2 3.96Å; V47-D435 HydrophobicContact CG2-CB 4.16Å
48	D	91.9	Very high	76.9	Confident	54 Å²	54	65.4 Å²	65.4	29%	0.289	42%	0.422	S	S	.	.	S	Bend	trans	-65.4	-15.9	167.9	-70.4	-26.2	0	0	0	112.5	H46 S65 S66 K288	H46-D48 VanDerWaalsContact CE1-CG 3.46Å; H46-D48 IonicContact CE1-OD2 2.72Å; H46-D48 PolarHBondContact CE1-OD2 3.29Å; H46-D48 IonicContact ND1-OD2 2.61Å; H46-D48 IonicContact NE2-OD2 3.52Å; H46-D48 PolarHBondContact NE2-OD2 3.34Å; D48-S65 PolarHBondContact OD1-OG 3.16Å; D48-S66 WeakPolarHBondContact OD2-CB 3.4Å; D48-S66 PolarHBondContact OD2-N 3.02Å; D48-S66 PolarHBondContact OD2-OG 2.92Å; D48-K288 IonicContact OD1-NZ 3.61Å; D48-K288 PolarHBondContact OD1-NZ 3.15Å
49	S	89.9	Confident	79.6	Confident	66 Å²	66	60.3 Å²	60.3	46%	0.462	38%	0.38	S	S	.	.	S	Bend	trans	-146.1	160.3	177.7	66	0	0	0	0	110.7	V47	V47-S49 PolarHBondContact O-N 3.5Å
50	P	91.1	Very high	82.3	Confident	31 Å²	31	59.5 Å²	59.5	20%	0.201	36%	0.361	C	S	.	.			trans	-51	130.8	175.9	-30.2	37.8	0	0	0	113.2	V52 C418 Y432	P50-V52 PolarHBondContact O-N 3.04Å; P50-C418 HydrophobicContact CG-CB 3.8Å; P50-C418 WeakPolarHBondContact CG-SG 3.49Å; P50-Y432 HydrophobicContact CB-CE1 4.49Å
51	P	90.6	Very high	84.8	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.091	33%	0.331	C	S	.	.			trans	-66.4	106.6	176.6	-23	35	0	0	0	111.6	I45 Y432 Y497 Y499	I45-P51 HydrophobicContact CG2-CB 3.81Å; I45-P51 HydrophobicContact CG2-CG 3.42Å; I45-P51 VanDerWaalsContact CG2-CG 3.42Å; P51-Y432 HydrophobicContact CG-CD1 4.35Å; P51-Y432 HydrophobicContact CG-CD2 3.96Å; P51-Y432 HydrophobicContact CG-CE2 4.42Å; P51-Y432 HydrophobicContact CG-CG 3.93Å; P51-Y497 VanDerWaalsContact CB-O 3.25Å; P51-Y497 WeakPolarHBondContact CB-O 3.45Å; P51-Y497 WeakPolarHBondContact O-CD1 3.03Å; P51-Y499 HydrophobicContact CG-CE2 4.46Å
52	V	88.5	Confident	87.3	Confident	122 Å²	122	54 Å²	54	74%	0.739	31%	0.308	S	S	*	.			trans	-98.3	-3.7	179.2	-63.4	0	0	0	0	114.3	P50	P50-V52 PolarHBondContact O-N 3.04Å
53	V	89.1	Confident	89.6	Confident	91 Å²	91	50.1 Å²	50.1	55%	0.552	28%	0.276	S	S	*	.	S	Bend	trans	-116	128.3	177.7	-176.9	0	0	0	0	109.2	T55	V53-T55 HydrophobicContact CB-CG2 4.22Å; V53-T55 HydrophobicContact CG1-CG2 3.93Å; V53-T55 PolarHBondContact O-N 3.21Å; V53-T55 VanDerWaalsContact O-N 3.11Å
54	P	91.1	Very high	91.2	Very high	73 Å²	73	45.5 Å²	45.5	47%	0.474	26%	0.263	S	S	.	.			trans	-73.6	103.6	175.3	29.2	-31.5	0	0	0	109.5	A496 Y497	P54-A496 CarbonylContact C-O 3.51Å; P54-A496 VanDerWaalsContact CA-O 3.26Å; P54-A496 WeakPolarHBondContact CA-O 3.4Å; P54-A496 HydrophobicContact CB-CB 3.62Å; P54-Y497 HydrophobicContact CB-CD1 4.34Å; P54-Y497 HydrophobicContact CB-CD2 4.45Å; P54-Y497 HydrophobicContact CB-CE1 4.06Å; P54-Y497 HydrophobicContact CB-CE2 4.17Å; P54-Y497 HydrophobicContact CG-CE1 4.21Å
55	T	88.8	Confident	92.4	Very high	59 Å²	59	43.7 Å²	43.7	36%	0.362	25%	0.254	S	S	.	.			trans	-112.2	-20.5	-173.8	51.2	0	0	0	0	113.8	V53 A496	V53-T55 HydrophobicContact CB-CG2 4.22Å; V53-T55 HydrophobicContact CG1-CG2 3.93Å; V53-T55 PolarHBondContact O-N 3.21Å; V53-T55 VanDerWaalsContact O-N 3.11Å; T55-A496 PolarHBondContact N-O 2.83Å
56	L	92.8	Very high	92.8	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	28%	0.284	C	S	.	.			trans	-79	136.5	179.6	-58.6	-169.2	0	0	0	111.6	I45 V61 L452 A496	I45-L56 HydrophobicContact CD1-CD1 4.15Å; I45-L56 HydrophobicContact CD1-CD2 3.99Å; I45-L56 HydrophobicContact CD1-CG 3.95Å; I45-L56 HydrophobicContact CG1-CD2 4.02Å; I45-L56 HydrophobicContact CG1-CG 4.49Å; L56-V61 HydrophobicContact CD1-CB 3.83Å; L56-V61 HydrophobicContact CD1-CG2 3.89Å; L56-V61 HydrophobicContact CD2-CB 4.47Å; L56-V61 HydrophobicContact CD2-CG2 4.29Å; L56-L452 HydrophobicContact CB-CD1 4.02Å; L56-L452 VanDerWaalsContact O-CD2 3.28Å; L56-L452 WeakPolarHBondContact O-CD2 3.18Å; L56-A496 PolarHBondContact N-O 3.18Å
57	T	89.8	Confident	93.1	Very high	94 Å²	94	45.5 Å²	45.5	58%	0.577	28%	0.276	S	S	*	.	S	Bend	trans	-118.6	-1.9	173.4	64.4	0	0	0	0	112.7
58	T	92.7	Very high	93.3	Very high	49 Å²	49	48.8 Å²	48.8	30%	0.301	30%	0.304	S	S	.	.	S	Bend	trans	-148.1	154.3	-176.1	48.5	0	0	0	0	108.3	Y60	T58-Y60 PolarHBondContact O-N 2.76Å
59	S	96.8	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-76.9	55.8	175	-58.6	0	0	0	0	113.1	K440 I441 M450 P451 L452	S59-K440 CarbonylContact O-C 3.54Å; S59-K440 WeakPolarHBondContact O-CA 3.19Å; S59-I441 PolarHBondContact O-N 2.89Å; S59-M450 VanDerWaalsContact CB-O 3.28Å; S59-M450 WeakPolarHBondContact CB-O 3.21Å; S59-M450 PolarHBondContact N-O 3.13Å; S59-M450 PolarHBondContact OG-O 2.85Å; S59-P451 PolarHBondContact OG-O 2.7Å; S59-L452 WeakPolarHBondContact OG-CA 3.4Å
60	Y	97.1	Very high	94	Very high	58 Å²	58	47.9 Å²	47.9	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.9	167.9	163	-90.7	0	0	0	107.2	T58 H62 E438 A439 K440 W485	T58-Y60 PolarHBondContact O-N 2.76Å; Y60-H62 HydrophobicContact CE1-CB 4.33Å; Y60-E438 HydrophobicContact CE2-CB 4.43Å; Y60-E438 WeakPolarHBondContact CE2-OE2 3.5Å; Y60-E438 PolarHBondContact OH-OE2 3.23Å; Y60-A439 CarbonylContact C-O 3.18Å; Y60-A439 WeakPolarHBondContact CA-O 3.4Å; Y60-K440 HydrophobicContact CD2-CB 4.24Å; Y60-W485 HydrophobicContact CD2-CH2 4.1Å; Y60-W485 HydrophobicContact CD2-CZ2 4.47Å; Y60-W485 AromaticContact CE2-CH2 3.86Å; Y60-W485 HydrophobicContact CE2-CH2 3.86Å; Y60-W485 HydrophobicContact CE2-CZ2 4.08Å
61	V	96.8	Very high	94.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.8	-177.3	67.5	0	0	0	0	109.7	I45 L56 F415 I433 E438 A439 L494	I45-V61 HydrophobicContact CD1-CG2 3.53Å; I45-V61 HydrophobicContact CG1-CG2 3.94Å; L56-V61 HydrophobicContact CD1-CB 3.83Å; L56-V61 HydrophobicContact CD1-CG2 3.89Å; L56-V61 HydrophobicContact CD2-CB 4.47Å; L56-V61 HydrophobicContact CD2-CG2 4.29Å; V61-F415 HydrophobicContact CG1-CE1 4.34Å; V61-F415 HydrophobicContact CG1-CZ 4.22Å; V61-I433 HydrophobicContact CG1-CB 4.07Å; V61-I433 HydrophobicContact CG1-CD1 4.43Å; V61-I433 HydrophobicContact CG1-CG1 4.24Å; V61-I433 HydrophobicContact CG1-CG2 4.41Å; V61-I433 HydrophobicContact CG2-CB 4.32Å; V61-I433 HydrophobicContact CG2-CG2 3.81Å; V61-E438 CarbonylContact O-C 3.57Å; V61-E438 VanDerWaalsContact O-CA 3.31Å; V61-E438 WeakPolarHBondContact O-CA 2.98Å; V61-A439 HydrophobicContact CG1-CB 3.9Å; V61-A439 PolarHBondContact N-O 3.2Å; V61-A439 PolarHBondContact O-N 3.46Å; V61-L494 HydrophobicContact CB-CD1 4.13Å; V61-L494 HydrophobicContact CG1-CD1 3.85Å; V61-L494 HydrophobicContact CG1-CD2 4.34Å
62	H	96.1	Very high	94.6	Very high	45 Å²	45	52.7 Å²	52.7	21%	0.208	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	120.6	177.2	168	-146.7	0	0	0	108.3	N44 I45 Y60 T64 E438	N44-H62 VanDerWaalsContact CG-ND1 3.32Å; N44-H62 PolarHBondContact OD1-ND1 2.84Å; I45-H62 PolarHBondContact N-O 2.86Å; Y60-H62 HydrophobicContact CE1-CB 4.33Å; H62-T64 VanDerWaalsContact CE1-CG2 3.46Å; H62-T64 WeakPolarHBondContact CE1-CG2 3.22Å; H62-T64 PolarHBondContact O-N 2.72Å; H62-E438 HydrophobicContact CB-CG 4.08Å
63	G	96.2	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	97.7	178.8	0	0	0	0	0	111.7	I45 H436 V437	I45-G63 CarbonylContact O-C 3.55Å; I45-G63 WeakPolarHBondContact O-CA 3.4Å; G63-H436 WeakPolarHBondContact O-CA 3.39Å; G63-H436 PolarHBondContact O-N 3.49Å; G63-V437 PolarHBondContact N-O 2.9Å
64	T	95.3	Very high	95.5	Very high	37 Å²	37	42.9 Å²	42.9	23%	0.227	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	143.1	170.3	51.3	0	0	0	0	111	N44 I45 H46 V47 H62	N44-T64 HydrophobicContact CB-CG2 3.73Å; I45-T64 PolarHBondContact O-N 2.79Å; I45-T64 PolarHBondContact O-OG1 2.64Å; I45-T64 VanDerWaalsContact O-OG1 3.14Å; H46-T64 CarbonylContact C-O 3.58Å; H46-T64 WeakPolarHBondContact CA-O 3.44Å; H46-T64 WeakPolarHBondContact CA-OG1 3.34Å; V47-T64 WeakPolarHBondContact CG2-O 3.39Å; V47-T64 PolarHBondContact N-O 2.61Å; H62-T64 VanDerWaalsContact CE1-CG2 3.46Å; H62-T64 WeakPolarHBondContact CE1-CG2 3.22Å; H62-T64 PolarHBondContact O-N 2.72Å
65	S	95.1	Very high	95.8	Very high	20 Å²	20	39.5 Å²	39.5	14%	0.14	23%	0.231	C	C	.	.			trans	-132.8	148.3	-176.9	-175.9	0	0	0	0	110.2	D48 T67 K288 D435	D48-S65 PolarHBondContact OD1-OG 3.16Å; S65-T67 VanDerWaalsContact C-N 3.27Å; S65-T67 PolarHBondContact OG-N 3.12Å; S65-K288 PolarHBondContact OG-NZ 2.63Å; S65-D435 VanDerWaalsContact CB-OD1 3.27Å; S65-D435 WeakPolarHBondContact CB-OD1 3.28Å; S65-D435 PolarHBondContact OG-OD1 3.26Å
66	S	95.6	Very high	96.3	Very high	92 Å²	92	40.5 Å²	40.5	64%	0.643	23%	0.231	S	C	*	.	S	Bend	trans	-80.1	-12.4	171.9	-40.7	0	0	0	0	112.4	H46 D48	H46-S66 PolarHBondContact CE1-OG 2.63Å; H46-S66 VanDerWaalsContact CE1-OG 3.29Å; H46-S66 PolarHBondContact NE2-OG 2.8Å; D48-S66 WeakPolarHBondContact OD2-CB 3.4Å; D48-S66 PolarHBondContact OD2-N 3.02Å; D48-S66 PolarHBondContact OD2-OG 2.92Å
67	T	96.3	Very high	96.5	Very high	39 Å²	39	40.3 Å²	40.3	24%	0.239	23%	0.231	C	C	.	.	S	Bend	trans	-96.8	127.4	178.8	-43.7	0	0	0	0	109.9	S65 Y284 K288 H436	S65-T67 VanDerWaalsContact C-N 3.27Å; S65-T67 PolarHBondContact OG-N 3.12Å; T67-Y284 HydrophobicContact CG2-CE1 3.71Å; T67-K288 PolarHBondContact OG1-NZ 3.39Å; T67-H436 PolarHBondContact O-CE1 2.88Å; T67-H436 PolarHBondContact O-NE2 2.97Å
68	A	97.6	Very high	97	Very high	72 Å²	72	35.9 Å²	35.9	60%	0.595	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-66.2	160.3	176.6	0	0	0	0	0	112.5
69	L	98.4	Very high	97.2	Very high	62 Å²	62	36.9 Å²	36.9	33%	0.325	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-63.3	143.1	167.8	-63.1	176.9	0	0	0	110.7	N281 F285 H436 Y463	L69-N281 WeakPolarHBondContact CA-OD1 3.35Å; L69-N281 HydrophobicContact CD2-CB 4.39Å; L69-F285 HydrophobicContact CD2-CE2 3.76Å; L69-F285 HydrophobicContact CD2-CZ 4.3Å; L69-H436 HydrophobicContact CD2-CB 3.82Å; L69-H436 VanDerWaalsContact CD2-CD2 3.42Å; L69-H436 WeakPolarHBondContact CD2-CD2 3.44Å; L69-H436 HydrophobicContact CG-CB 4.46Å; L69-Y463 HydrophobicContact CD2-CD1 3.51Å; L69-Y463 HydrophobicContact CD2-CE1 3.93Å; L69-Y463 HydrophobicContact CD2-CG 4.1Å
70	L	97.9	Very high	97.3	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.204	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-79.1	145.5	171.4	-55	-174.5	0	0	0	110.5	H277 I280 N281 Y284 V321	L70-H277 PolarHBondContact O-CE1 2.78Å; L70-H277 PolarHBondContact O-ND1 3.35Å; L70-H277 VanDerWaalsContact O-ND1 3.14Å; L70-I280 HydrophobicContact CB-CG2 4.1Å; L70-I280 HydrophobicContact CD1-CG2 3.89Å; L70-N281 PolarHBondContact N-OD1 3.35Å; L70-N281 PolarHBondContact O-ND2 3.5Å; L70-Y284 HydrophobicContact CD1-CD1 4.29Å; L70-Y284 HydrophobicContact CD1-CD2 3.74Å; L70-Y284 HydrophobicContact CD1-CE2 4.36Å; L70-Y284 HydrophobicContact CD1-CG 3.68Å; L70-Y284 HydrophobicContact CG-CD1 4.42Å; L70-Y284 HydrophobicContact CG-CG 4.29Å; L70-V321 HydrophobicContact CD1-CG1 4.47Å
71	H	96.3	Very high	97.3	Very high	130 Å²	130	38.7 Å²	38.7	60%	0.602	21%	0.214	S	C	*	.			trans	-119.8	19.2	-179.8	58.6	-92.1	0	0	0	112	F253	H71-F253 HydrophobicContact CB-CD1 3.74Å; H71-F253 HydrophobicContact CB-CE1 3.83Å; H71-F253 HydrophobicContact CB-CG 4.44Å; H71-F253 VanDerWaalsContact O-CD1 3.24Å; H71-F253 WeakPolarHBondContact O-CD1 3.45Å
72	D	97.6	Very high	97.4	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	22%	0.219	C	C	.	.			trans	-79	152.8	-180	-62.5	-45.6	0	0	0	111.5	E76 K80 I280	D72-E76 HydrophobicContact CB-CB 4.28Å; D72-K80 WeakPolarHBondContact OD1-CE 3.28Å; D72-K80 IonicContact OD1-NZ 3.96Å; D72-K80 PolarHBondContact OD1-NZ 3.4Å; D72-K80 IonicContact OD2-NZ 3.89Å; D72-K80 PolarHBondContact OD2-NZ 3.18Å; D72-I280 WeakPolarHBondContact O-CD1 3.41Å
73	T	98.6	Very high	97.5	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.037	24%	0.237	C	C	.	.			trans	-81	166	157.2	65.3	0	0	0	0	111	A75 E76 A77 L251 I280	T73-A75 PolarHBondContact O-N 3.22Å; T73-E76 VanDerWaalsContact CB-OE2 3.28Å; T73-E76 WeakPolarHBondContact CB-OE2 3.24Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.5Å; T73-E76 PolarHBondContact N-OE2 3.16Å; T73-E76 PolarHBondContact O-N 2.77Å; T73-E76 VanDerWaalsContact O-N 3.16Å; T73-E76 VanDerWaalsContact OG1-CD 3.3Å; T73-E76 WeakPolarHBondContact OG1-CG 3.4Å; T73-E76 PolarHBondContact OG1-N 2.67Å; T73-E76 PolarHBondContact OG1-OE2 3.44Å; T73-A77 PolarHBondContact O-N 3.47Å; T73-L251 HydrophobicContact CG2-CB 4Å; T73-I280 VanDerWaalsContact C-CD1 3.41Å
74	V	98.6	Very high	97.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-32.2	-178.6	165.8	0	0	0	0	111.6	L78 F142 A145 H276 I279 I280 I317	V74-L78 PolarHBondContact O-N 2.79Å; V74-L78 VanDerWaalsContact O-N 3.13Å; V74-F142 HydrophobicContact CG1-CD1 3.46Å; V74-F142 VanDerWaalsContact CG1-CD1 3.46Å; V74-F142 HydrophobicContact CG1-CE1 3.42Å; V74-F142 VanDerWaalsContact CG1-CE1 3.42Å; V74-F142 HydrophobicContact CG1-CG 4.33Å; V74-F142 HydrophobicContact CG1-CZ 4.28Å; V74-A145 HydrophobicContact CB-CB 3.95Å; V74-A145 HydrophobicContact CG1-CB 3.99Å; V74-H276 HydrophobicContact CG2-CB 4.5Å; V74-H276 WeakPolarHBondContact CG2-ND1 3.25Å; V74-H276 PolarHBondContact N-ND1 3.19Å; V74-H276 VanDerWaalsContact N-ND1 3.11Å; V74-I279 HydrophobicContact CG2-CD1 4.13Å; V74-I279 HydrophobicContact CG2-CG1 4.42Å; V74-I280 HydrophobicContact CB-CD1 4.49Å; V74-I280 HydrophobicContact CG2-CD1 3.84Å; V74-I280 HydrophobicContact CG2-CG1 4.01Å; V74-I317 HydrophobicContact CG1-CD1 3.85Å; V74-I317 HydrophobicContact CG2-CD1 3.89Å
75	A	97.9	Very high	97.6	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-72	-36.3	175.7	0	0	0	0	0	112.5	T73 Q79 K146	T73-A75 PolarHBondContact O-N 3.22Å; A75-Q79 WeakPolarHBondContact O-CB 3.24Å; A75-Q79 PolarHBondContact O-N 2.89Å; A75-K146 HydrophobicContact CB-CB 3.87Å; A75-K146 HydrophobicContact CB-CD 4.04Å; A75-K146 HydrophobicContact CB-CG 3.71Å
76	E	98.5	Very high	97.8	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-72.2	-38.4	176	-70.7	161.4	135.7	0	0	111.8	D72 T73 Q79 K80	D72-E76 HydrophobicContact CB-CB 4.28Å; T73-E76 VanDerWaalsContact CB-OE2 3.28Å; T73-E76 WeakPolarHBondContact CB-OE2 3.24Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.5Å; T73-E76 PolarHBondContact N-OE2 3.16Å; T73-E76 PolarHBondContact O-N 2.77Å; T73-E76 VanDerWaalsContact O-N 3.16Å; T73-E76 VanDerWaalsContact OG1-CD 3.3Å; T73-E76 WeakPolarHBondContact OG1-CG 3.4Å; T73-E76 PolarHBondContact OG1-N 2.67Å; T73-E76 PolarHBondContact OG1-OE2 3.44Å; E76-Q79 PolarHBondContact O-N 3.21Å; E76-K80 WeakPolarHBondContact O-CG 3.37Å; E76-K80 PolarHBondContact O-N 2.97Å
77	A	98.4	Very high	97.9	Very high	5 Å²	5	54.7 Å²	54.7	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-49	171.7	0	0	0	0	0	111.2	T73 Q79 K80 S81 I280 A320 V321	T73-A77 PolarHBondContact O-N 3.47Å; A77-Q79 PolarHBondContact O-N 3.27Å; A77-K80 PolarHBondContact O-N 3.09Å; A77-S81 PolarHBondContact O-N 3.35Å; A77-I280 HydrophobicContact CB-CD1 4.5Å; A77-A320 CarbonylContact C-O 3.52Å; A77-V321 HydrophobicContact CB-CG2 4Å
78	L	98.7	Very high	98	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-47.8	175.6	-179.5	61.5	0	0	0	111.6	V74 K80 S81 V82 Y102 F105 V109 F142 M319 A320	V74-L78 PolarHBondContact O-N 2.79Å; V74-L78 VanDerWaalsContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 2.74Å; L78-S81 PolarHBondContact O-N 3.35Å; L78-V82 HydrophobicContact CD1-CG2 4.38Å; L78-V82 HydrophobicContact CG-CG2 4.29Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.34Å; L78-V82 PolarHBondContact O-N 3.12Å; L78-Y102 HydrophobicContact CD1-CD1 3.84Å; L78-Y102 HydrophobicContact CD1-CE1 3.97Å; L78-F105 HydrophobicContact CD1-CD1 3.99Å; L78-F105 HydrophobicContact CD1-CE1 4.29Å; L78-F105 HydrophobicContact CD2-CD1 3.87Å; L78-F105 HydrophobicContact CD2-CE1 3.88Å; L78-V109 HydrophobicContact CD2-CG2 4.2Å; L78-F142 HydrophobicContact CB-CD1 4Å; L78-F142 HydrophobicContact CB-CE1 4Å; L78-F142 HydrophobicContact CD2-CB 4.39Å; L78-F142 HydrophobicContact CD2-CD1 3.71Å; L78-F142 HydrophobicContact CD2-CE1 4.31Å; L78-F142 HydrophobicContact CD2-CG 4.14Å; L78-F142 HydrophobicContact CG-CD1 4.36Å; L78-M319 HydrophobicContact CD1-SD 4.49Å; L78-A320 HydrophobicContact CB-CB 4.07Å; L78-A320 HydrophobicContact CD1-CB 4.16Å
79	Q	98.5	Very high	98	Very high	69 Å²	69	54 Å²	54	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-57.5	-42.5	179.1	-173.3	63.4	58.8	0	0	111.8	A75 E76 A77 S81 V82 D83	A75-Q79 WeakPolarHBondContact O-CB 3.24Å; A75-Q79 PolarHBondContact O-N 2.89Å; E76-Q79 PolarHBondContact O-N 3.21Å; A77-Q79 PolarHBondContact O-N 3.27Å; Q79-S81 VanDerWaalsContact C-N 3.33Å; Q79-S81 PolarHBondContact O-N 2.86Å; Q79-V82 WeakPolarHBondContact O-CB 3.48Å; Q79-V82 PolarHBondContact O-N 3.04Å; Q79-V82 VanDerWaalsContact O-N 3.12Å; Q79-D83 PolarHBondContact NE2-OD1 3.43Å; Q79-D83 PolarHBondContact O-N 3.19Å
80	K	98.3	Very high	98	Very high	92 Å²	92	51 Å²	51	40%	0.4	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-43.4	174.4	-71.7	175	-171.3	-177.4	0	111.9	D72 E76 A77 L78 V82 D83 H84	D72-K80 WeakPolarHBondContact OD1-CE 3.28Å; D72-K80 IonicContact OD1-NZ 3.96Å; D72-K80 PolarHBondContact OD1-NZ 3.4Å; D72-K80 IonicContact OD2-NZ 3.89Å; D72-K80 PolarHBondContact OD2-NZ 3.18Å; E76-K80 WeakPolarHBondContact O-CG 3.37Å; E76-K80 PolarHBondContact O-N 2.97Å; A77-K80 PolarHBondContact O-N 3.09Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 2.74Å; K80-V82 VanDerWaalsContact C-N 3.35Å; K80-D83 PolarHBondContact O-N 3.39Å; K80-H84 PolarHBondContact O-N 3.37Å; K80-H84 PolarHBondContact O-ND1 3.13Å
81	S	97.6	Very high	98.1	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-34.9	175.5	-75.2	0	0	0	0	112.9	A77 L78 Q79 H84 W85 A320	A77-S81 PolarHBondContact O-N 3.35Å; L78-S81 PolarHBondContact O-N 3.35Å; Q79-S81 VanDerWaalsContact C-N 3.33Å; Q79-S81 PolarHBondContact O-N 2.86Å; S81-H84 PolarHBondContact O-N 2.91Å; S81-W85 PolarHBondContact O-N 3.45Å; S81-A320 WeakPolarHBondContact CB-O 3.48Å; S81-A320 PolarHBondContact OG-O 2.91Å
82	V	98.6	Very high	98.2	Very high	15 Å²	15	43 Å²	43	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-43.4	173	177.4	0	0	0	0	111.1	L78 Q79 K80 H84 P86 Y102 Q106	L78-V82 HydrophobicContact CD1-CG2 4.38Å; L78-V82 HydrophobicContact CG-CG2 4.29Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.34Å; L78-V82 PolarHBondContact O-N 3.12Å; Q79-V82 WeakPolarHBondContact O-CB 3.48Å; Q79-V82 PolarHBondContact O-N 3.04Å; Q79-V82 VanDerWaalsContact O-N 3.12Å; K80-V82 VanDerWaalsContact C-N 3.35Å; V82-H84 VanDerWaalsContact C-N 3.26Å; V82-H84 PolarHBondContact O-N 3.39Å; V82-P86 WeakPolarHBondContact O-CA 3.49Å; V82-P86 WeakPolarHBondContact O-CB 3.45Å; V82-P86 WeakPolarHBondContact O-CD 3.15Å; V82-Y102 HydrophobicContact CG2-CD1 4.27Å; V82-Q106 HydrophobicContact CG1-CB 4.49Å; V82-Q106 HydrophobicContact CG2-CB 3.74Å; V82-Q106 HydrophobicContact CG2-CG 4.13Å
83	D	98.6	Very high	98.2	Very high	110 Å²	110	42.4 Å²	42.4	59%	0.588	21%	0.206	S	C	*	.	H	α-helix	trans	-65.9	-28.9	179.9	-61.4	-20	0	0	0	112.2	Q79 K80	Q79-D83 PolarHBondContact NE2-OD1 3.43Å; Q79-D83 PolarHBondContact O-N 3.19Å; K80-D83 PolarHBondContact O-N 3.39Å
84	H	96.8	Very high	98.2	Very high	132 Å²	132	44.5 Å²	44.5	61%	0.611	22%	0.216	S	C	*	.	H	α-helix	trans	-90.5	-34.9	179.4	-71.8	75.2	0	0	0	113.8	K80 S81 V82	K80-H84 PolarHBondContact O-N 3.37Å; K80-H84 PolarHBondContact O-ND1 3.13Å; S81-H84 PolarHBondContact O-N 2.91Å; V82-H84 VanDerWaalsContact C-N 3.26Å; V82-H84 PolarHBondContact O-N 3.39Å
85	W	96.6	Very high	97.9	Very high	87 Å²	87	50 Å²	50	33%	0.33	24%	0.242	S	C	.	.			trans	-141.3	54.7	-171	-52.2	-59.6	0	0	0	113.2	S81 D87 R88 G323	S81-W85 PolarHBondContact O-N 3.45Å; W85-D87 VanDerWaalsContact C-N 3.29Å; W85-D87 PolarHBondContact O-N 3.34Å; W85-R88 HydrophobicContact CB-CB 3.88Å; W85-R88 WeakPolarHBondContact O-CB 3.35Å; W85-R88 PolarHBondContact O-N 3.32Å; W85-R88 VanDerWaalsContact O-N 3.11Å; W85-G323 VanDerWaalsContact CE3-CA 3.46Å
86	P	98.4	Very high	97.6	Very high	47 Å²	47	54 Å²	54	31%	0.305	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-40.7	-170.4	23.2	-33	0	0	0	112.9	V82 T101 Y102 A103	V82-P86 WeakPolarHBondContact O-CA 3.49Å; V82-P86 WeakPolarHBondContact O-CB 3.45Å; V82-P86 WeakPolarHBondContact O-CD 3.15Å; P86-T101 WeakPolarHBondContact O-CB 3.21Å; P86-Y102 PolarHBondContact O-N 3.23Å; P86-A103 HydrophobicContact CB-CB 4.11Å; P86-A103 WeakPolarHBondContact O-CB 3.29Å; P86-A103 PolarHBondContact O-N 3.27Å
87	D	98.2	Very high	97.5	Very high	139 Å²	139	53.2 Å²	53.2	74%	0.743	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.7	-176.2	-48.6	-61.8	0	0	0	114.3	W85 T101	W85-D87 VanDerWaalsContact C-N 3.29Å; W85-D87 PolarHBondContact O-N 3.34Å; D87-T101 WeakPolarHBondContact O-CG2 3.15Å
88	R	97.8	Very high	97.5	Very high	52 Å²	52	54.7 Å²	54.7	20%	0.196	29%	0.285	C	S	.	.	S	Bend	trans	-76.9	137.6	176.5	-178.9	-176.6	-65.3	178.6	4	109.2	W85 A90 T101 Y102 G323	W85-R88 HydrophobicContact CB-CB 3.88Å; W85-R88 WeakPolarHBondContact O-CB 3.35Å; W85-R88 PolarHBondContact O-N 3.32Å; W85-R88 VanDerWaalsContact O-N 3.11Å; R88-A90 PolarHBondContact O-N 2.94Å; R88-T101 CarbonylContact O-C 3.39Å; R88-T101 WeakPolarHBondContact O-CA 3.43Å; R88-Y102 HydrophobicContact CB-CD2 4.11Å; R88-Y102 HydrophobicContact CB-CE2 4.44Å; R88-Y102 HydrophobicContact CG-CE2 4.39Å; R88-Y102 VanDerWaalsContact O-CD2 3.32Å; R88-Y102 WeakPolarHBondContact O-CD2 3.48Å; R88-Y102 PolarHBondContact O-N 3.49Å; R88-G323 WeakPolarHBondContact CD-O 3.2Å; R88-G323 PolarHBondContact NH1-O 3.34Å
89	E	98.4	Very high	97.5	Very high	44 Å²	44	59.8 Å²	59.8	21%	0.206	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	119.4	167.6	-71.6	-177.9	132.6	0	0	110.3	V92 R99 K100 R299 T325	E89-V92 HydrophobicContact CB-CG2 4.32Å; E89-V92 HydrophobicContact CG-CG2 4.38Å; E89-V92 WeakPolarHBondContact OE1-CG2 3.48Å; E89-R99 WeakPolarHBondContact OE1-CD 3.42Å; E89-R99 IonicContact OE1-CZ 2.73Å; E89-R99 IonicContact OE1-NE 2.7Å; E89-R99 IonicContact OE1-NH1 3.17Å; E89-R99 PolarHBondContact OE1-NH1 2.96Å; E89-R99 IonicContact OE2-NH1 2.79Å; E89-K100 CarbonylContact C-O 3.22Å; E89-K100 WeakPolarHBondContact CA-O 3.21Å; E89-R299 IonicContact OE2-CZ 3.49Å; E89-R299 IonicContact OE2-NH1 3.6Å; E89-R299 PolarHBondContact OE2-NH1 3.13Å; E89-R299 IonicContact OE2-NH2 3.58Å; E89-R299 PolarHBondContact OE2-NH2 2.81Å; E89-T325 HydrophobicContact CB-CG2 3.67Å; E89-T325 WeakPolarHBondContact O-CA 3.37Å; E89-T325 VanDerWaalsContact O-CB 3.26Å; E89-T325 WeakPolarHBondContact O-CB 3.37Å; E89-T325 WeakPolarHBondContact O-CG2 3.33Å; E89-T325 PolarHBondContact O-OG1 3.02Å
90	A	98.6	Very high	97.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-44.4	170.4	0	0	0	0	0	110.4	R88 K100 Y102 F105 M319 L326	R88-A90 PolarHBondContact O-N 2.94Å; A90-K100 PolarHBondContact N-O 3.26Å; A90-Y102 HydrophobicContact CB-CD1 4.02Å; A90-Y102 HydrophobicContact CB-CD2 3.81Å; A90-Y102 HydrophobicContact CB-CE1 4Å; A90-Y102 HydrophobicContact CB-CE2 3.76Å; A90-Y102 HydrophobicContact CB-CG 3.92Å; A90-F105 HydrophobicContact CB-CB 4.42Å; A90-M319 HydrophobicContact CB-SD 4.03Å; A90-L326 PolarHBondContact O-N 3.4Å
91	V	98.6	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.1	-177.5	-62	0	0	0	0	112.8	F93 K100 F105 Y135 I138 M319 L326 F328	V91-F93 HydrophobicContact CB-CD2 4.41Å; V91-F93 HydrophobicContact CB-CE2 4Å; V91-F93 HydrophobicContact CG2-CE2 4.24Å; V91-K100 HydrophobicContact CG2-CB 3.9Å; V91-K100 HydrophobicContact CG2-CG 4.33Å; V91-K100 PolarHBondContact N-O 2.98Å; V91-K100 PolarHBondContact O-N 2.77Å; V91-F105 HydrophobicContact CG2-CD2 4.39Å; V91-Y135 HydrophobicContact CG2-CD2 3.97Å; V91-Y135 HydrophobicContact CG2-CE2 3.82Å; V91-I138 HydrophobicContact CG1-CD1 4Å; V91-I138 HydrophobicContact CG1-CG2 4.38Å; V91-M319 HydrophobicContact CG1-CE 4.13Å; V91-L326 CarbonylContact C-O 3.59Å; V91-L326 WeakPolarHBondContact CA-O 3.37Å; V91-L326 HydrophobicContact CG1-CB 4.42Å; V91-F328 HydrophobicContact CG1-CE2 4.45Å
92	V	98.8	Very high	97.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	116	176.3	177.9	0	0	0	0	108.2	E89 L94 V98 R99 T325 L326 V327 F328	E89-V92 HydrophobicContact CB-CG2 4.32Å; E89-V92 HydrophobicContact CG-CG2 4.38Å; E89-V92 WeakPolarHBondContact OE1-CG2 3.48Å; V92-L94 HydrophobicContact CG1-CD2 3.52Å; V92-L94 HydrophobicContact CG1-CG 4.03Å; V92-V98 CarbonylContact C-O 3.44Å; V92-V98 WeakPolarHBondContact CA-O 3.29Å; V92-R99 HydrophobicContact CG1-CG 4.15Å; V92-R99 HydrophobicContact CG2-CG 4.26Å; V92-T325 HydrophobicContact CG2-CG2 4.01Å; V92-L326 PolarHBondContact N-O 2.72Å; V92-V327 HydrophobicContact CB-CG2 4.34Å; V92-V327 WeakPolarHBondContact O-CA 3.35Å; V92-F328 PolarHBondContact O-N 3.45Å
93	F	98.5	Very high	97.6	Very high	3 Å²	3	56 Å²	56	1%	0.013	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	101.9	172.7	-72	-101.3	0	0	0	108.4	V91 D96 G97 V98 T134 Y135 I138 F328	V91-F93 HydrophobicContact CB-CD2 4.41Å; V91-F93 HydrophobicContact CB-CE2 4Å; V91-F93 HydrophobicContact CG2-CE2 4.24Å; F93-D96 HydrophobicContact CB-CB 4.34Å; F93-D96 PolarHBondContact O-N 3.49Å; F93-G97 PolarHBondContact O-N 3.28Å; F93-G97 VanDerWaalsContact O-N 3.08Å; F93-V98 HydrophobicContact CB-CB 4.27Å; F93-V98 PolarHBondContact N-O 2.73Å; F93-V98 PolarHBondContact O-N 2.98Å; F93-T134 WeakPolarHBondContact CE1-O 3.44Å; F93-T134 VanDerWaalsContact CZ-C 3.49Å; F93-T134 VanDerWaalsContact CZ-O 3.29Å; F93-T134 WeakPolarHBondContact CZ-O 3.42Å; F93-Y135 HydrophobicContact CD2-CD2 4.21Å; F93-Y135 HydrophobicContact CE2-CD2 4.01Å; F93-I138 HydrophobicContact CE2-CG2 3.85Å; F93-I138 HydrophobicContact CZ-CG2 3.74Å; F93-F328 HydrophobicContact CD1-CB 3.56Å; F93-F328 HydrophobicContact CD1-CD2 4.05Å; F93-F328 AromaticContact CD1-CG 3.89Å; F93-F328 HydrophobicContact CD1-CG 3.89Å; F93-F328 HydrophobicContact CD2-CD2 4.02Å; F93-F328 HydrophobicContact CE1-CB 3.68Å; F93-F328 HydrophobicContact CE1-CD1 4.05Å; F93-F328 AromaticContact CE1-CD2 3.55Å; F93-F328 HydrophobicContact CE1-CD2 3.55Å; F93-F328 HydrophobicContact CE1-CE2 4.18Å; F93-F328 AromaticContact CE1-CG 3.47Å; F93-F328 HydrophobicContact CE1-CG 3.47Å; F93-F328 VanDerWaalsContact CE1-CG 3.47Å; F93-F328 AromaticContact CE2-CD2 3.51Å; F93-F328 HydrophobicContact CE2-CD2 3.51Å; F93-F328 AromaticContact CE2-CE2 3.86Å; F93-F328 HydrophobicContact CE2-CE2 3.86Å; F93-F328 HydrophobicContact CE2-CG 4.3Å; F93-F328 HydrophobicContact CG-CB 4.07Å; F93-F328 HydrophobicContact CG-CD2 4.25Å; F93-F328 HydrophobicContact CG-CG 4.45Å; F93-F328 HydrophobicContact CZ-CB 4.3Å; F93-F328 HydrophobicContact CZ-CD1 4.33Å; F93-F328 AromaticContact CZ-CD2 3.25Å; F93-F328 HydrophobicContact CZ-CD2 3.25Å; F93-F328 AromaticContact CZ-CE2 3.52Å; F93-F328 HydrophobicContact CZ-CE2 3.52Å; F93-F328 AromaticContact CZ-CG 3.7Å; F93-F328 HydrophobicContact CZ-CG 3.7Å; F93-F328 HydrophobicContact CZ-CZ 4.18Å
94	L	97.4	Very high	97.7	Very high	49 Å²	49	54.6 Å²	54.6	26%	0.257	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-39.9	-163.7	-71.5	175.6	0	0	0	114.1	V92 D96 V327 F328 A341 E345	V92-L94 HydrophobicContact CG1-CD2 3.52Å; V92-L94 HydrophobicContact CG1-CG 4.03Å; L94-D96 VanDerWaalsContact C-N 3.34Å; L94-V327 HydrophobicContact CD1-CG1 3.77Å; L94-V327 HydrophobicContact CG-CG1 4.17Å; L94-F328 PolarHBondContact N-O 2.82Å; L94-F328 VanDerWaalsContact N-O 3.11Å; L94-A341 HydrophobicContact CD1-CB 3.39Å; L94-E345 HydrophobicContact CD1-CG 3.91Å; L94-E345 HydrophobicContact CD2-CG 3.8Å; L94-E345 WeakPolarHBondContact CD2-OE1 3.45Å; L94-E345 HydrophobicContact CG-CG 4.34Å
95	Q	93.5	Very high	97.8	Very high	118 Å²	118	48.3 Å²	48.3	55%	0.551	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-33.6	179.2	-75.7	-176.4	-22.8	0	0	112.5
96	D	91.7	Very high	97.9	Very high	87 Å²	87	44.7 Å²	44.7	47%	0.465	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.8	-176.7	-46.7	-54.8	0	0	0	112.2	F93 L94 V98	F93-D96 HydrophobicContact CB-CB 4.34Å; F93-D96 PolarHBondContact O-N 3.49Å; L94-D96 VanDerWaalsContact C-N 3.34Å; D96-V98 HydrophobicContact CB-CG2 4.12Å; D96-V98 PolarHBondContact O-N 3.18Å
97	G	96.4	Very high	97.9	Very high	63 Å²	63	48 Å²	48	65%	0.649	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	8.1	-178	0	0	0	0	0	114.7	F93	F93-G97 PolarHBondContact O-N 3.28Å; F93-G97 VanDerWaalsContact O-N 3.08Å
98	V	98.3	Very high	97.9	Very high	35 Å²	35	41.8 Å²	41.8	21%	0.212	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.3	-175.8	-177.7	0	0	0	0	110.5	V92 F93 D96 K100 Y135	V92-V98 CarbonylContact C-O 3.44Å; V92-V98 WeakPolarHBondContact CA-O 3.29Å; F93-V98 HydrophobicContact CB-CB 4.27Å; F93-V98 PolarHBondContact N-O 2.73Å; F93-V98 PolarHBondContact O-N 2.98Å; D96-V98 HydrophobicContact CB-CG2 4.12Å; D96-V98 PolarHBondContact O-N 3.18Å; V98-K100 HydrophobicContact CG1-CG 4.21Å; V98-Y135 HydrophobicContact CG1-CD1 4.2Å; V98-Y135 HydrophobicContact CG1-CD2 3.91Å; V98-Y135 HydrophobicContact CG1-CE2 4.45Å; V98-Y135 HydrophobicContact CG1-CG 3.79Å
99	R	98.6	Very high	98	Very high	108 Å²	108	39.3 Å²	39.3	41%	0.408	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.9	168.8	-65.2	179	180	-92.2	-3	108.5	E89 V92 E345	E89-R99 WeakPolarHBondContact OE1-CD 3.42Å; E89-R99 IonicContact OE1-CZ 2.73Å; E89-R99 IonicContact OE1-NE 2.7Å; E89-R99 IonicContact OE1-NH1 3.17Å; E89-R99 PolarHBondContact OE1-NH1 2.96Å; E89-R99 IonicContact OE2-NH1 2.79Å; V92-R99 HydrophobicContact CG1-CG 4.15Å; V92-R99 HydrophobicContact CG2-CG 4.26Å; R99-E345 IonicContact CZ-OE1 2.66Å; R99-E345 IonicContact CZ-OE2 2.62Å; R99-E345 IonicContact NH1-OE1 3.24Å; R99-E345 IonicContact NH1-OE2 2.59Å; R99-E345 PolarHBondContact NH1-OE2 3.31Å; R99-E345 VanDerWaalsContact NH2-CD 3.31Å; R99-E345 IonicContact NH2-OE1 3.75Å; R99-E345 PolarHBondContact NH2-OE1 3.44Å; R99-E345 IonicContact NH2-OE2 3.02Å; R99-E345 PolarHBondContact NH2-OE2 3.32Å
100	K	98.8	Very high	98	Very high	43 Å²	43	40 Å²	40	19%	0.187	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.1	177.3	-65.3	-72.9	174	160.5	0	110.2	E89 A90 V91 V98 E104 F105 D108 Y135	E89-K100 CarbonylContact C-O 3.22Å; E89-K100 WeakPolarHBondContact CA-O 3.21Å; A90-K100 PolarHBondContact N-O 3.26Å; V91-K100 HydrophobicContact CG2-CB 3.9Å; V91-K100 HydrophobicContact CG2-CG 4.33Å; V91-K100 PolarHBondContact N-O 2.98Å; V91-K100 PolarHBondContact O-N 2.77Å; V98-K100 HydrophobicContact CG1-CG 4.21Å; K100-E104 HydrophobicContact CD-CB 3.86Å; K100-F105 HydrophobicContact CB-CB 4.25Å; K100-D108 VanDerWaalsContact CE-OD2 3.25Å; K100-D108 WeakPolarHBondContact CE-OD2 3.4Å; K100-D108 IonicContact NZ-OD1 3.46Å; K100-D108 IonicContact NZ-OD2 3.72Å; K100-D108 PolarHBondContact NZ-OD2 2.96Å; K100-Y135 HydrophobicContact CG-CE2 3.72Å
101	T	98.9	Very high	98	Very high	30 Å²	30	45.9 Å²	45.9	18%	0.184	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	165	162	60.7	0	0	0	0	111	P86 D87 R88 A103 E104 F105	P86-T101 WeakPolarHBondContact O-CB 3.21Å; D87-T101 WeakPolarHBondContact O-CG2 3.15Å; R88-T101 CarbonylContact O-C 3.39Å; R88-T101 WeakPolarHBondContact O-CA 3.43Å; T101-A103 VanDerWaalsContact C-N 3.3Å; T101-A103 PolarHBondContact O-N 3.48Å; T101-E104 WeakPolarHBondContact CB-OE2 3.35Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.26Å; T101-E104 PolarHBondContact N-OE2 3.13Å; T101-E104 PolarHBondContact O-N 2.98Å; T101-E104 WeakPolarHBondContact OG1-CB 3.09Å; T101-E104 VanDerWaalsContact OG1-CD 3.26Å; T101-E104 WeakPolarHBondContact OG1-CG 3.35Å; T101-E104 PolarHBondContact OG1-N 3.16Å; T101-E104 PolarHBondContact OG1-OE2 3.14Å; T101-F105 VanDerWaalsContact O-CB 3.32Å; T101-F105 WeakPolarHBondContact O-CB 3.35Å; T101-F105 PolarHBondContact O-N 3.17Å
102	Y	98.8	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.3	-43.1	173.3	-86.8	-85.6	0	0	0	112.2	L78 V82 P86 R88 A90 F105 Q106 M319 G323 L324	L78-Y102 HydrophobicContact CD1-CD1 3.84Å; L78-Y102 HydrophobicContact CD1-CE1 3.97Å; V82-Y102 HydrophobicContact CG2-CD1 4.27Å; P86-Y102 PolarHBondContact O-N 3.23Å; R88-Y102 HydrophobicContact CB-CD2 4.11Å; R88-Y102 HydrophobicContact CB-CE2 4.44Å; R88-Y102 HydrophobicContact CG-CE2 4.39Å; R88-Y102 VanDerWaalsContact O-CD2 3.32Å; R88-Y102 WeakPolarHBondContact O-CD2 3.48Å; R88-Y102 PolarHBondContact O-N 3.49Å; A90-Y102 HydrophobicContact CB-CD1 4.02Å; A90-Y102 HydrophobicContact CB-CD2 3.81Å; A90-Y102 HydrophobicContact CB-CE1 4Å; A90-Y102 HydrophobicContact CB-CE2 3.76Å; A90-Y102 HydrophobicContact CB-CG 3.92Å; Y102-F105 PolarHBondContact O-N 3.42Å; Y102-Q106 WeakPolarHBondContact O-CB 3.37Å; Y102-Q106 PolarHBondContact O-N 3.3Å; Y102-M319 HydrophobicContact CE1-SD 3.6Å; Y102-M319 VanDerWaalsContact CE1-SD 3.6Å; Y102-M319 WeakPolarHBondContact OH-CG 3.43Å; Y102-M319 PolarHBondContact OH-O 3.37Å; Y102-M319 PolarHBondContact OH-SD 2.89Å; Y102-G323 WeakPolarHBondContact OH-CA 3.3Å; Y102-L324 PolarHBondContact OH-N 2.89Å; Y102-L324 VanDerWaalsContact OH-N 3.11Å; Y102-L324 PolarHBondContact OH-O 2.87Å
103	A	98.9	Very high	98	Very high	27 Å²	27	45.9 Å²	45.9	22%	0.223	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-45.5	178.8	0	0	0	0	0	112.3	P86 T101 Q106 Q107	P86-A103 HydrophobicContact CB-CB 4.11Å; P86-A103 WeakPolarHBondContact O-CB 3.29Å; P86-A103 PolarHBondContact O-N 3.27Å; T101-A103 VanDerWaalsContact C-N 3.3Å; T101-A103 PolarHBondContact O-N 3.48Å; A103-Q106 PolarHBondContact O-N 3.47Å; A103-Q107 WeakPolarHBondContact O-CG 3.19Å; A103-Q107 PolarHBondContact O-N 3.28Å; A103-Q107 VanDerWaalsContact O-N 3.13Å
104	E	98.9	Very high	98	Very high	82 Å²	82	45.8 Å²	45.8	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-41.2	176	-67.3	164.8	127.9	0	0	111.9	K100 T101 Q106 Q107 D108	K100-E104 HydrophobicContact CD-CB 3.86Å; T101-E104 WeakPolarHBondContact CB-OE2 3.35Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.26Å; T101-E104 PolarHBondContact N-OE2 3.13Å; T101-E104 PolarHBondContact O-N 2.98Å; T101-E104 WeakPolarHBondContact OG1-CB 3.09Å; T101-E104 VanDerWaalsContact OG1-CD 3.26Å; T101-E104 WeakPolarHBondContact OG1-CG 3.35Å; T101-E104 PolarHBondContact OG1-N 3.16Å; T101-E104 PolarHBondContact OG1-OE2 3.14Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 3.49Å; E104-Q107 PolarHBondContact O-N 2.99Å; E104-D108 PolarHBondContact O-N 3.46Å
105	F	98.9	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-40.7	177.1	-174.2	-114.3	0	0	0	111.6	L78 A90 V91 K100 T101 Y102 D108 V109 Y135 I138 L139 F142 M319	L78-F105 HydrophobicContact CD1-CD1 3.99Å; L78-F105 HydrophobicContact CD1-CE1 4.29Å; L78-F105 HydrophobicContact CD2-CD1 3.87Å; L78-F105 HydrophobicContact CD2-CE1 3.88Å; A90-F105 HydrophobicContact CB-CB 4.42Å; V91-F105 HydrophobicContact CG2-CD2 4.39Å; K100-F105 HydrophobicContact CB-CB 4.25Å; T101-F105 VanDerWaalsContact O-CB 3.32Å; T101-F105 WeakPolarHBondContact O-CB 3.35Å; T101-F105 PolarHBondContact O-N 3.17Å; Y102-F105 PolarHBondContact O-N 3.42Å; F105-D108 PolarHBondContact O-N 3.04Å; F105-V109 HydrophobicContact CD1-CG2 4.24Å; F105-V109 HydrophobicContact CE1-CG2 3.89Å; F105-V109 HydrophobicContact CE2-CG2 4.26Å; F105-V109 HydrophobicContact CZ-CG2 3.89Å; F105-V109 WeakPolarHBondContact O-CB 3.44Å; F105-V109 VanDerWaalsContact O-CG2 3.27Å; F105-V109 WeakPolarHBondContact O-CG2 3.41Å; F105-V109 PolarHBondContact O-N 3.42Å; F105-Y135 AromaticContact CD2-CE2 3.77Å; F105-Y135 HydrophobicContact CD2-CE2 3.77Å; F105-Y135 AromaticContact CE2-CE2 3.91Å; F105-Y135 HydrophobicContact CE2-CE2 3.91Å; F105-I138 HydrophobicContact CE2-CG2 4.41Å; F105-I138 HydrophobicContact CZ-CG1 4.2Å; F105-L139 HydrophobicContact CE2-CB 4.32Å; F105-L139 HydrophobicContact CE2-CD1 4.47Å; F105-F142 HydrophobicContact CE1-CB 4.32Å; F105-F142 AromaticContact CE1-CD2 3.66Å; F105-F142 HydrophobicContact CE1-CD2 3.66Å; F105-F142 HydrophobicContact CE1-CE2 4.13Å; F105-F142 AromaticContact CE1-CG 3.91Å; F105-F142 HydrophobicContact CE1-CG 3.91Å; F105-F142 HydrophobicContact CZ-CB 4.35Å; F105-F142 AromaticContact CZ-CD2 3.66Å; F105-F142 HydrophobicContact CZ-CD2 3.66Å; F105-F142 HydrophobicContact CZ-CE2 4.31Å; F105-F142 HydrophobicContact CZ-CG 4.17Å; F105-M319 HydrophobicContact CD1-CE 4.4Å; F105-M319 HydrophobicContact CE1-CE 3.93Å; F105-M319 HydrophobicContact CZ-CE 4.45Å
106	Q	98.8	Very high	98.3	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-39	175.9	-174.2	57.6	80.9	0	0	112.5	V82 Y102 A103 E104 D108 V109 D110	V82-Q106 HydrophobicContact CG1-CB 4.49Å; V82-Q106 HydrophobicContact CG2-CB 3.74Å; V82-Q106 HydrophobicContact CG2-CG 4.13Å; Y102-Q106 WeakPolarHBondContact O-CB 3.37Å; Y102-Q106 PolarHBondContact O-N 3.3Å; A103-Q106 PolarHBondContact O-N 3.47Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 3.49Å; Q106-D108 VanDerWaalsContact C-N 3.34Å; Q106-V109 PolarHBondContact O-N 3.38Å; Q106-D110 PolarHBondContact NE2-OD1 3.23Å; Q106-D110 PolarHBondContact O-N 3.14Å
107	Q	98.7	Very high	98.7	Very high	117 Å²	117	34 Å²	34	55%	0.547	18%	0.177	S	C	.	.	H	α-helix	trans	-64.9	-38	174.4	-70.2	172.1	24.2	0	0	112.2	A103 E104 R111	A103-Q107 WeakPolarHBondContact O-CG 3.19Å; A103-Q107 PolarHBondContact O-N 3.28Å; A103-Q107 VanDerWaalsContact O-N 3.13Å; E104-Q107 PolarHBondContact O-N 2.99Å; Q107-R111 WeakPolarHBondContact O-CG 3.09Å; Q107-R111 PolarHBondContact O-N 3.11Å; Q107-R111 PolarHBondContact O-NE 3.45Å
108	D	98.9	Very high	98.8	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.043	16%	0.16	C	C	.	.	H	α-helix	trans	-68.1	-44	176	-70.4	11	0	0	0	110.5	K100 E104 F105 Q106 D110 R111 A112 Y135 L139 M233	K100-D108 VanDerWaalsContact CE-OD2 3.25Å; K100-D108 WeakPolarHBondContact CE-OD2 3.4Å; K100-D108 IonicContact NZ-OD1 3.46Å; K100-D108 IonicContact NZ-OD2 3.72Å; K100-D108 PolarHBondContact NZ-OD2 2.96Å; E104-D108 PolarHBondContact O-N 3.46Å; F105-D108 PolarHBondContact O-N 3.04Å; Q106-D108 VanDerWaalsContact C-N 3.34Å; D108-D110 VanDerWaalsContact C-N 3.3Å; D108-D110 PolarHBondContact O-N 2.88Å; D108-R111 PolarHBondContact O-N 3.41Å; D108-R111 IonicContact OD1-CZ 2.76Å; D108-R111 IonicContact OD1-NE 2.7Å; D108-R111 IonicContact OD1-NH2 2.67Å; D108-R111 PolarHBondContact OD1-NH2 3.26Å; D108-A112 WeakPolarHBondContact O-CB 3.31Å; D108-A112 PolarHBondContact O-N 3.39Å; D108-Y135 VanDerWaalsContact CB-OH 3.24Å; D108-Y135 WeakPolarHBondContact CB-OH 3.16Å; D108-Y135 PolarHBondContact OD2-OH 2.89Å; D108-L139 VanDerWaalsContact C-CD1 3.42Å; D108-L139 HydrophobicContact CB-CD1 3.8Å; D108-L139 HydrophobicContact CB-CD2 4.48Å; D108-M233 HydrophobicContact CB-CE 4.18Å
109	V	98.9	Very high	98.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-41.7	175	164.7	0	0	0	0	111.8	L78 F105 Q106 A113 L139 F142 K146	L78-V109 HydrophobicContact CD2-CG2 4.2Å; F105-V109 HydrophobicContact CD1-CG2 4.24Å; F105-V109 HydrophobicContact CE1-CG2 3.89Å; F105-V109 HydrophobicContact CE2-CG2 4.26Å; F105-V109 HydrophobicContact CZ-CG2 3.89Å; F105-V109 WeakPolarHBondContact O-CB 3.44Å; F105-V109 VanDerWaalsContact O-CG2 3.27Å; F105-V109 WeakPolarHBondContact O-CG2 3.41Å; F105-V109 PolarHBondContact O-N 3.42Å; Q106-V109 PolarHBondContact O-N 3.38Å; V109-A113 WeakPolarHBondContact O-CB 3.48Å; V109-A113 PolarHBondContact O-N 3.05Å; V109-L139 HydrophobicContact CB-CD1 4.33Å; V109-L139 HydrophobicContact CG2-CD1 3.75Å; V109-F142 HydrophobicContact CB-CB 4.44Å; V109-F142 HydrophobicContact CG1-CB 3.97Å; V109-F142 HydrophobicContact CG2-CB 3.51Å; V109-F142 HydrophobicContact CG2-CG 4.48Å; V109-K146 HydrophobicContact CG1-CB 4.46Å; V109-K146 HydrophobicContact CG1-CD 3.94Å
110	D	98.8	Very high	98.7	Very high	59 Å²	59	29.3 Å²	29.3	32%	0.316	16%	0.159	S	C	.	.	H	α-helix	trans	-68	-41.4	-179.7	-72.7	3.7	0	0	0	112.1	Q106 D108 A114 K146	Q106-D110 PolarHBondContact NE2-OD1 3.23Å; Q106-D110 PolarHBondContact O-N 3.14Å; D108-D110 VanDerWaalsContact C-N 3.3Å; D108-D110 PolarHBondContact O-N 2.88Å; D110-A114 WeakPolarHBondContact O-CB 3.4Å; D110-A114 PolarHBondContact O-N 3.36Å; D110-K146 WeakPolarHBondContact OD1-CD 3.27Å; D110-K146 VanDerWaalsContact OD1-CE 3.24Å; D110-K146 WeakPolarHBondContact OD1-CE 3.1Å; D110-K146 IonicContact OD1-NZ 2.85Å; D110-K146 PolarHBondContact OD1-NZ 2.63Å; D110-K146 IonicContact OD2-NZ 2.7Å
111	R	98.8	Very high	98.7	Very high	123 Å²	123	27.5 Å²	27.5	46%	0.464	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-48	175.4	-71.8	-173.3	-69.3	169.1	-5	111.6	Q107 D108 A113 A114 G115 M233	Q107-R111 WeakPolarHBondContact O-CG 3.09Å; Q107-R111 PolarHBondContact O-N 3.11Å; Q107-R111 PolarHBondContact O-NE 3.45Å; D108-R111 PolarHBondContact O-N 3.41Å; D108-R111 IonicContact OD1-CZ 2.76Å; D108-R111 IonicContact OD1-NE 2.7Å; D108-R111 IonicContact OD1-NH2 2.67Å; D108-R111 PolarHBondContact OD1-NH2 3.26Å; R111-A113 PolarHBondContact O-N 3.22Å; R111-A114 PolarHBondContact O-N 3.37Å; R111-G115 PolarHBondContact O-N 2.9Å; R111-M233 HydrophobicContact CB-CE 3.86Å; R111-M233 HydrophobicContact CB-SD 4.44Å
112	A	98.9	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-45.7	176.3	0	0	0	0	0	111.6	D108 G115 L116 L139 F140 A143 M233	D108-A112 WeakPolarHBondContact O-CB 3.31Å; D108-A112 PolarHBondContact O-N 3.39Å; A112-G115 PolarHBondContact O-N 2.83Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 3.17Å; A112-L139 HydrophobicContact CB-CD1 4.06Å; A112-L139 HydrophobicContact CB-CD2 4.38Å; A112-L139 HydrophobicContact CB-CG 4.13Å; A112-F140 HydrophobicContact CB-CE1 4.45Å; A112-A143 HydrophobicContact CB-CB 3.5Å; A112-A143 VanDerWaalsContact CB-CB 3.5Å; A112-M233 HydrophobicContact CB-SD 3.7Å
113	A	98.9	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-45.7	-179.5	0	0	0	0	0	112.3	V109 R111 G115 L116 L117 A143 K146 A147 L244	V109-A113 WeakPolarHBondContact O-CB 3.48Å; V109-A113 PolarHBondContact O-N 3.05Å; R111-A113 PolarHBondContact O-N 3.22Å; A113-G115 VanDerWaalsContact C-N 3.29Å; A113-G115 PolarHBondContact O-N 3.01Å; A113-L116 PolarHBondContact O-N 3.25Å; A113-L117 WeakPolarHBondContact O-CG 3.42Å; A113-L117 PolarHBondContact O-N 3Å; A113-A143 HydrophobicContact CB-CB 4.21Å; A113-A143 WeakPolarHBondContact CB-O 3.24Å; A113-K146 HydrophobicContact CB-CB 4.35Å; A113-A147 HydrophobicContact CB-CB 4.39Å; A113-L244 HydrophobicContact CB-CD1 3.89Å; A113-L244 HydrophobicContact CB-CD2 3.63Å; A113-L244 HydrophobicContact CB-CG 4.44Å
114	A	98.8	Very high	98.6	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-36.2	174	0	0	0	0	0	112	D110 R111 L117 A118 H240 V241	D110-A114 WeakPolarHBondContact O-CB 3.4Å; D110-A114 PolarHBondContact O-N 3.36Å; R111-A114 PolarHBondContact O-N 3.37Å; A114-L117 PolarHBondContact O-N 3.21Å; A114-A118 PolarHBondContact O-N 3.32Å; A114-H240 HydrophobicContact CB-CB 4.16Å; A114-V241 HydrophobicContact CB-CG2 4.15Å
115	G	98.8	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-48.1	172.8	0	0	0	0	0	113.6	R111 A112 A113 L117 A118 L119 V232	R111-G115 PolarHBondContact O-N 2.9Å; A112-G115 PolarHBondContact O-N 2.83Å; A113-G115 VanDerWaalsContact C-N 3.29Å; A113-G115 PolarHBondContact O-N 3.01Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 2.9Å; G115-A118 CarbonylContact O-C 3.39Å; G115-A118 WeakPolarHBondContact O-CA 3.4Å; G115-A118 WeakPolarHBondContact O-CB 3.34Å; G115-A118 PolarHBondContact O-N 2.97Å; G115-L119 VanDerWaalsContact O-CD1 3.32Å; G115-L119 WeakPolarHBondContact O-CD1 3.46Å; G115-L119 PolarHBondContact O-N 3.2Å; G115-V232 WeakPolarHBondContact CA-O 3.33Å
116	L	98.8	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-39	176.3	-68.4	177.9	0	0	0	112.2	A112 A113 L119 G120 L121 L127 F140 T144 I149 I217 V232	A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 3.17Å; A113-L116 PolarHBondContact O-N 3.25Å; L116-L119 PolarHBondContact O-N 3.3Å; L116-G120 PolarHBondContact O-N 2.86Å; L116-L121 HydrophobicContact CB-CD1 4.13Å; L116-L121 HydrophobicContact CD2-CD1 3.79Å; L116-L121 HydrophobicContact CG-CD1 4.47Å; L116-L121 WeakPolarHBondContact O-CB 3.37Å; L116-L121 PolarHBondContact O-N 3.16Å; L116-L127 HydrophobicContact CD1-CD1 4.09Å; L116-L127 HydrophobicContact CD2-CD1 3.53Å; L116-L127 HydrophobicContact CG-CD1 4.48Å; L116-F140 HydrophobicContact CD1-CD1 4.07Å; L116-F140 HydrophobicContact CD1-CE1 4.21Å; L116-F140 HydrophobicContact CD2-CD1 4.42Å; L116-F140 HydrophobicContact CD2-CE1 3.89Å; L116-F140 HydrophobicContact CG-CE1 4.17Å; L116-T144 HydrophobicContact CD1-CG2 3.8Å; L116-I149 HydrophobicContact CB-CD1 3.78Å; L116-I149 HydrophobicContact CD1-CD1 3.94Å; L116-I149 HydrophobicContact CG-CD1 4.48Å; L116-I217 HydrophobicContact CD2-CD1 4.18Å; L116-V232 HydrophobicContact CD2-CG1 4.12Å; L116-V232 HydrophobicContact CG-CG1 4.49Å
117	L	98.6	Very high	98.5	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-37.6	173.3	-63.5	-179.9	0	0	0	112.1	A113 A114 G115 L119 G120 L121 A147 Q243 L244	A113-L117 WeakPolarHBondContact O-CG 3.42Å; A113-L117 PolarHBondContact O-N 3Å; A114-L117 PolarHBondContact O-N 3.21Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 2.9Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-G120 WeakPolarHBondContact O-CA 3.28Å; L117-G120 PolarHBondContact O-N 2.98Å; L117-L121 WeakPolarHBondContact CD2-O 3.13Å; L117-A147 HydrophobicContact CD2-CB 4.23Å; L117-A147 HydrophobicContact CG-CB 4.45Å; L117-Q243 HydrophobicContact CD1-CB 4.31Å; L117-Q243 HydrophobicContact CD1-CG 4.04Å; L117-L244 HydrophobicContact CD1-CB 3.96Å; L117-L244 HydrophobicContact CD1-CD1 4.04Å
118	A	98.4	Very high	98.5	Very high	34 Å²	34	29.8 Å²	29.8	28%	0.281	16%	0.16	S	C	.	.	H	α-helix	trans	-68.7	-29.8	175.7	0	0	0	0	0	113.2	A114 G115 G120 A235 H240	A114-A118 PolarHBondContact O-N 3.32Å; G115-A118 CarbonylContact O-C 3.39Å; G115-A118 WeakPolarHBondContact O-CA 3.4Å; G115-A118 WeakPolarHBondContact O-CB 3.34Å; G115-A118 PolarHBondContact O-N 2.97Å; A118-G120 PolarHBondContact O-N 3.37Å; A118-A235 HydrophobicContact CB-CB 3.82Å; A118-A235 WeakPolarHBondContact CB-O 3.49Å; A118-H240 VanDerWaalsContact CA-CD2 3.48Å; A118-H240 WeakPolarHBondContact CA-CD2 3.49Å; A118-H240 WeakPolarHBondContact CA-NE2 3.11Å; A118-H240 PolarHBondContact N-CD2 3.31Å
119	L	97.8	Very high	98.5	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.136	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-1.3	166.8	-92	67.6	0	0	0	113.2	G115 L116 L117 I217 F227 V232 A235	G115-L119 VanDerWaalsContact O-CD1 3.32Å; G115-L119 WeakPolarHBondContact O-CD1 3.46Å; G115-L119 PolarHBondContact O-N 3.2Å; L116-L119 PolarHBondContact O-N 3.3Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L119-I217 HydrophobicContact CD2-CD1 3.95Å; L119-I217 HydrophobicContact CD2-CG1 4.16Å; L119-F227 HydrophobicContact CD1-CD1 4.44Å; L119-F227 HydrophobicContact CD1-CE1 4.25Å; L119-F227 HydrophobicContact CD1-CZ 4.36Å; L119-F227 HydrophobicContact CD2-CD1 4.46Å; L119-F227 HydrophobicContact CD2-CD2 3.58Å; L119-F227 HydrophobicContact CD2-CE2 3.72Å; L119-F227 HydrophobicContact CD2-CG 3.97Å; L119-F227 HydrophobicContact CD2-CZ 4.24Å; L119-F227 HydrophobicContact CG-CD1 4.48Å; L119-F227 HydrophobicContact CG-CD2 4.1Å; L119-F227 HydrophobicContact CG-CE1 4.18Å; L119-F227 HydrophobicContact CG-CE2 3.76Å; L119-F227 HydrophobicContact CG-CG 4.44Å; L119-F227 HydrophobicContact CG-CZ 3.82Å; L119-V232 HydrophobicContact CD1-CG1 4.4Å; L119-V232 HydrophobicContact CD1-CG2 4.24Å; L119-V232 HydrophobicContact CD2-CG1 4.49Å; L119-V232 HydrophobicContact CD2-CG2 3.82Å; L119-A235 HydrophobicContact CD1-CB 3.98Å
120	G	97.6	Very high	98.4	Very high	46 Å²	46	29.5 Å²	29.5	47%	0.474	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	3.4	174.4	0	0	0	0	0	115.6	L116 L117 A118	L116-G120 PolarHBondContact O-N 2.86Å; L117-G120 WeakPolarHBondContact O-CA 3.28Å; L117-G120 PolarHBondContact O-N 2.98Å; A118-G120 PolarHBondContact O-N 3.37Å
121	L	98.4	Very high	98.2	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	15%	0.146	C	C	.	.			trans	-70.3	151.2	175.5	-64.5	164	0	0	0	111.3	L116 L117 D125 L127 I149 Q173 A174	L116-L121 HydrophobicContact CB-CD1 4.13Å; L116-L121 HydrophobicContact CD2-CD1 3.79Å; L116-L121 HydrophobicContact CG-CD1 4.47Å; L116-L121 WeakPolarHBondContact O-CB 3.37Å; L116-L121 PolarHBondContact O-N 3.16Å; L117-L121 WeakPolarHBondContact CD2-O 3.13Å; L121-D125 HydrophobicContact CD2-CB 4Å; L121-L127 HydrophobicContact CD1-CD1 4.12Å; L121-I149 HydrophobicContact CB-CD1 3.62Å; L121-I149 HydrophobicContact CB-CG1 4.32Å; L121-I149 HydrophobicContact CD1-CD1 4.19Å; L121-Q173 HydrophobicContact CD2-CB 3.93Å; L121-A174 HydrophobicContact CD1-CB 3.98Å; L121-A174 HydrophobicContact CD2-CB 4.16Å
122	K	97.9	Very high	98	Very high	137 Å²	137	21.6 Å²	21.6	60%	0.596	13%	0.127	S	C	*	.			trans	-135.7	167.4	-171.8	-61.8	168.1	-168.2	167.7	0	111.2	G124 D125	K122-G124 PolarHBondContact O-N 2.92Å; K122-D125 PolarHBondContact N-OD2 2.79Å; K122-D125 WeakPolarHBondContact O-CB 3.35Å; K122-D125 PolarHBondContact O-N 3.46Å
123	K	98.1	Very high	97.8	Very high	87 Å²	87	21.9 Å²	21.9	38%	0.378	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	127.2	170.7	-177.3	-178.3	179.3	178.1	0	110.1	G148 L247 K250 L251 D255	K123-G148 CarbonylContact C-O 3.49Å; K123-G148 VanDerWaalsContact CA-O 3.29Å; K123-G148 WeakPolarHBondContact CA-O 3.26Å; K123-L247 HydrophobicContact CB-CD1 4.14Å; K123-L247 HydrophobicContact CB-CD2 4.45Å; K123-L247 HydrophobicContact CD-CD1 4.17Å; K123-K250 PolarHBondContact NZ-O 2.86Å; K123-L251 HydrophobicContact CD-CD2 3.81Å; K123-L251 HydrophobicContact CG-CD2 4.29Å; K123-D255 WeakPolarHBondContact CE-OD1 3.29Å; K123-D255 WeakPolarHBondContact CE-OD2 3.42Å; K123-D255 IonicContact NZ-OD1 3.19Å; K123-D255 PolarHBondContact NZ-OD1 3.35Å; K123-D255 IonicContact NZ-OD2 3.48Å; K123-D255 PolarHBondContact NZ-OD2 3.02Å
124	G	98.1	Very high	97.8	Very high	30 Å²	30	22.7 Å²	22.7	31%	0.309	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-5.8	-178.2	0	0	0	0	0	115.8	K122 R126 G148	K122-G124 PolarHBondContact O-N 2.92Å; G124-R126 WeakPolarHBondContact O-CD 3.42Å; G124-R126 PolarHBondContact O-NH1 3.25Å; G124-G148 PolarHBondContact N-O 2.82Å
125	D	98.7	Very high	97.8	Very high	30 Å²	30	23.1 Å²	23.1	16%	0.16	14%	0.135	C	C	.	.			trans	-67.9	152.3	166.9	-73.5	-31.5	0	0	0	110.8	L121 K122 I149 I150 Q173	L121-D125 HydrophobicContact CD2-CB 4Å; K122-D125 PolarHBondContact N-OD2 2.79Å; K122-D125 WeakPolarHBondContact O-CB 3.35Å; K122-D125 PolarHBondContact O-N 3.46Å; D125-I149 WeakPolarHBondContact O-CG2 3.28Å; D125-I150 PolarHBondContact O-N 3.36Å; D125-Q173 PolarHBondContact OD1-NE2 3.06Å; D125-Q173 PolarHBondContact OD1-OE1 3.25Å
126	R	98.7	Very high	97.8	Very high	29 Å²	29	25 Å²	25	11%	0.109	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.2	-179.7	-80.3	76.4	65.4	-121.3	-15.5	110.2	G124 I150 V152 V170 G171 C172 Q173 A174 I259	G124-R126 WeakPolarHBondContact O-CD 3.42Å; G124-R126 PolarHBondContact O-NH1 3.25Å; R126-I150 WeakPolarHBondContact CA-O 3.38Å; R126-I150 HydrophobicContact CG-CB 4.15Å; R126-I150 HydrophobicContact CG-CG2 4.47Å; R126-V152 HydrophobicContact CB-CG2 3.78Å; R126-V152 HydrophobicContact CG-CG2 3.82Å; R126-V170 HydrophobicContact CG-CB 4.44Å; R126-V170 HydrophobicContact CG-CG2 4.47Å; R126-V170 PolarHBondContact NE-O 2.73Å; R126-V170 PolarHBondContact NH2-O 2.74Å; R126-V170 VanDerWaalsContact NH2-O 3.07Å; R126-G171 PolarHBondContact NH2-O 3.17Å; R126-C172 CarbonylContact O-C 3.33Å; R126-C172 WeakPolarHBondContact O-CA 3.44Å; R126-Q173 VanDerWaalsContact NH1-OE1 3.14Å; R126-Q173 PolarHBondContact O-N 2.99Å; R126-A174 PolarHBondContact O-N 3.49Å; R126-I259 HydrophobicContact CG-CD1 4.09Å
127	L	98.9	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.5	173.4	-178.3	152.2	0	0	0	109.6	L116 L121 M129 T144 I149 I150 V152 A174 V176	L116-L127 HydrophobicContact CD1-CD1 4.09Å; L116-L127 HydrophobicContact CD2-CD1 3.53Å; L116-L127 HydrophobicContact CG-CD1 4.48Å; L121-L127 HydrophobicContact CD1-CD1 4.12Å; L127-M129 HydrophobicContact CD2-CG 4.06Å; L127-M129 HydrophobicContact CD2-SD 3.75Å; L127-T144 HydrophobicContact CB-CG2 4.21Å; L127-T144 HydrophobicContact CD1-CG2 4.14Å; L127-T144 HydrophobicContact CD2-CG2 4.15Å; L127-T144 HydrophobicContact CG-CG2 4.41Å; L127-I149 HydrophobicContact CB-CG2 3.83Å; L127-I150 PolarHBondContact N-O 3.23Å; L127-V152 PolarHBondContact O-N 3.4Å; L127-A174 WeakPolarHBondContact CA-O 3.39Å; L127-A174 HydrophobicContact CB-CB 4.4Å; L127-A174 HydrophobicContact CD1-CB 4.07Å; L127-A174 HydrophobicContact CG-CB 4.05Å; L127-V176 HydrophobicContact CD1-CG2 4.22Å; L127-V176 HydrophobicContact CD2-CG2 3.81Å; L127-V176 HydrophobicContact CG-CG2 4.28Å
128	G	98.6	Very high	97.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.7	175.9	0	0	0	0	0	112.3	V152 A174 I175 V176	G128-V152 WeakPolarHBondContact CA-O 3.37Å; G128-A174 PolarHBondContact N-O 2.93Å; G128-I175 CarbonylContact O-C 3.51Å; G128-I175 WeakPolarHBondContact O-CA 3.21Å; G128-I175 WeakPolarHBondContact O-CG1 3.43Å; G128-V176 PolarHBondContact O-N 3.11Å
129	M	98.2	Very high	97.7	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.6	165.5	-73.3	-55.8	-46.4	0	0	109.2	L127 W137 F140 Q151 V152 V154 V176	L127-M129 HydrophobicContact CD2-CG 4.06Å; L127-M129 HydrophobicContact CD2-SD 3.75Å; M129-W137 HydrophobicContact CB-CZ2 4.39Å; M129-W137 HydrophobicContact CE-CB 4.24Å; M129-W137 HydrophobicContact CE-CG 4.17Å; M129-F140 HydrophobicContact CE-CB 4.45Å; M129-F140 HydrophobicContact CE-CD2 4.21Å; M129-F140 HydrophobicContact CG-CB 4.39Å; M129-F140 HydrophobicContact SD-CB 3.51Å; M129-F140 VanDerWaalsContact SD-CB 3.51Å; M129-F140 HydrophobicContact SD-CD2 3.86Å; M129-F140 HydrophobicContact SD-CG 3.91Å; M129-Q151 HydrophobicContact CB-CG 4.38Å; M129-Q151 HydrophobicContact CG-CG 3.71Å; M129-Q151 VanDerWaalsContact CG-OE1 3.29Å; M129-V152 PolarHBondContact N-O 3.01Å; M129-V154 WeakPolarHBondContact O-CB 3.49Å; M129-V154 PolarHBondContact O-N 3.39Å; M129-V176 HydrophobicContact CE-CB 3.83Å; M129-V176 HydrophobicContact CE-CG1 3.63Å; M129-V176 HydrophobicContact SD-CB 3.56Å; M129-V176 VanDerWaalsContact SD-CB 3.56Å; M129-V176 HydrophobicContact SD-CG1 3.92Å; M129-V176 HydrophobicContact SD-CG2 3.86Å
130	W	97.4	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	93.3	-175.8	-171.5	35.4	0	0	0	111.1	V154 N155 Y158 V163 I175 V176 C177 Y186 M189 L190	W130-V154 HydrophobicContact CB-CB 3.84Å; W130-V154 HydrophobicContact CB-CG1 4.12Å; W130-V154 HydrophobicContact CB-CG2 4.44Å; W130-V154 VanDerWaalsContact CD1-CG1 3.41Å; W130-V154 HydrophobicContact CG-CB 4.04Å; W130-V154 HydrophobicContact CG-CG1 3.79Å; W130-N155 VanDerWaalsContact CD1-O 3.24Å; W130-N155 PolarHBondContact NE1-O 3.25Å; W130-Y158 WeakPolarHBondContact CZ2-O 3.32Å; W130-V163 HydrophobicContact CD2-CG2 3.89Å; W130-V163 HydrophobicContact CE3-CG2 3.98Å; W130-V163 HydrophobicContact CH2-CB 4.01Å; W130-V163 HydrophobicContact CH2-CG1 3.65Å; W130-V163 HydrophobicContact CH2-CG2 3.9Å; W130-V163 HydrophobicContact CZ2-CB 3.75Å; W130-V163 HydrophobicContact CZ2-CG1 3.83Å; W130-V163 HydrophobicContact CZ2-CG2 3.81Å; W130-V163 HydrophobicContact CZ3-CG1 4.34Å; W130-V163 HydrophobicContact CZ3-CG2 3.99Å; W130-I175 HydrophobicContact CB-CD1 3.84Å; W130-I175 HydrophobicContact CB-CG1 4.18Å; W130-I175 HydrophobicContact CD2-CD1 4.18Å; W130-I175 HydrophobicContact CE3-CD1 3.61Å; W130-I175 HydrophobicContact CG-CD1 4.34Å; W130-I175 HydrophobicContact CZ3-CD1 4.46Å; W130-V176 PolarHBondContact N-O 2.68Å; W130-C177 HydrophobicContact CB-CB 4.33Å; W130-C177 HydrophobicContact CE3-CB 4.26Å; W130-C177 WeakPolarHBondContact O-CA 3.38Å; W130-C177 WeakPolarHBondContact O-CB 3.42Å; W130-Y186 AromaticContact CD2-CD1 3.48Å; W130-Y186 HydrophobicContact CD2-CD1 3.48Å; W130-Y186 VanDerWaalsContact CD2-CD1 3.48Å; W130-Y186 AromaticContact CD2-CE1 3.97Å; W130-Y186 HydrophobicContact CD2-CE1 3.97Å; W130-Y186 HydrophobicContact CD2-CG 4.45Å; W130-Y186 AromaticContact CE2-CD1 3.44Å; W130-Y186 VanDerWaalsContact CE2-CD1 3.44Å; W130-Y186 AromaticContact CE2-CE1 3.69Å; W130-Y186 AromaticContact CE3-CD1 3.59Å; W130-Y186 HydrophobicContact CE3-CD1 3.59Å; W130-Y186 HydrophobicContact CE3-CG 4.21Å; W130-Y186 HydrophobicContact CG-CD1 4.18Å; W130-Y186 HydrophobicContact CG-CE1 4.3Å; W130-Y186 AromaticContact CH2-CD1 3.71Å; W130-Y186 HydrophobicContact CH2-CD1 3.71Å; W130-Y186 AromaticContact CZ2-CD1 3.58Å; W130-Y186 HydrophobicContact CZ2-CD1 3.58Å; W130-Y186 HydrophobicContact CZ2-CE1 4.05Å; W130-Y186 AromaticContact CZ3-CD1 3.71Å; W130-Y186 HydrophobicContact CZ3-CD1 3.71Å; W130-Y186 HydrophobicContact CZ3-CG 4.26Å; W130-Y186 AromaticContact NE1-CE1 3.79Å; W130-M189 HydrophobicContact CH2-CB 3.98Å; W130-M189 HydrophobicContact CH2-CE 3.59Å; W130-M189 HydrophobicContact CH2-SD 4.1Å; W130-M189 HydrophobicContact CZ2-CE 3.75Å; W130-M189 HydrophobicContact CZ2-SD 4.39Å; W130-L190 HydrophobicContact CZ3-CD1 4.45Å; W130-L190 HydrophobicContact CZ3-CD2 4.42Å; W130-L190 HydrophobicContact CZ3-CG 4.08Å
131	G	93.2	Very high	97.8	Very high	5 Å²	5	20.3 Å²	20.3	5%	0.052	10%	0.103	C	C	.	.	S	Bend	trans	177.3	-179.2	-175.9	0	0	0	0	0	114.5	P156	G131-P156 WeakPolarHBondContact O-CB 3.36Å
132	P	94.6	Very high	97.9	Very high	11 Å²	11	20 Å²	20	7%	0.071	10%	0.101	C	C	.	.	S	Bend	trans	-72	-174.7	175.3	31.9	-34.7	0	0	0	112.2	T134 F181 A331	P132-T134 HydrophobicContact CG-CG2 3.89Å; P132-T134 PolarHBondContact O-N 3.26Å; P132-T134 VanDerWaalsContact O-N 3.15Å; P132-F181 HydrophobicContact CB-CD1 3.92Å; P132-F181 HydrophobicContact CB-CD2 4.21Å; P132-F181 HydrophobicContact CB-CE1 3.77Å; P132-F181 HydrophobicContact CB-CE2 4.08Å; P132-F181 HydrophobicContact CB-CG 4.13Å; P132-F181 HydrophobicContact CB-CZ 3.85Å; P132-F181 HydrophobicContact CG-CB 4.31Å; P132-F181 HydrophobicContact CG-CD1 4.1Å; P132-F181 HydrophobicContact CG-CD2 3.84Å; P132-F181 HydrophobicContact CG-CE1 4.37Å; P132-F181 HydrophobicContact CG-CE2 4.13Å; P132-F181 HydrophobicContact CG-CG 3.82Å; P132-F181 HydrophobicContact CG-CZ 4.38Å; P132-A331 HydrophobicContact CB-CB 4.03Å; P132-A331 VanDerWaalsContact CB-O 3.23Å; P132-A331 WeakPolarHBondContact CB-O 3.12Å; P132-A331 HydrophobicContact CG-CB 4.31Å
133	N	96.2	Very high	97.9	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.032	7%	0.073	C	C	.	.	S	Bend	trans	-71.5	102.5	170.7	-70.8	4.8	0	0	0	109.4	V304 P305 L306 F328 A331	N133-V304 PolarHBondContact ND2-O 3.24Å; N133-P305 WeakPolarHBondContact OD1-CA 3.46Å; N133-L306 HydrophobicContact CB-CD1 4.21Å; N133-L306 HydrophobicContact CB-CG 4.44Å; N133-L306 PolarHBondContact OD1-N 2.88Å; N133-F328 HydrophobicContact CB-CD1 4.3Å; N133-A331 WeakPolarHBondContact CB-O 3.32Å; N133-A331 PolarHBondContact N-O 2.81Å; N133-A331 VanDerWaalsContact O-CA 3.29Å; N133-A331 WeakPolarHBondContact O-CA 3.47Å
134	T	97.4	Very high	97.9	Very high	18 Å²	18	9.4 Å²	9.4	11%	0.11	6%	0.055	C	C	.	.			trans	-124.9	166.6	172.9	78.4	0	0	0	0	110.9	F93 P132 E136 W137	F93-T134 WeakPolarHBondContact CE1-O 3.44Å; F93-T134 VanDerWaalsContact CZ-C 3.49Å; F93-T134 VanDerWaalsContact CZ-O 3.29Å; F93-T134 WeakPolarHBondContact CZ-O 3.42Å; P132-T134 HydrophobicContact CG-CG2 3.89Å; P132-T134 PolarHBondContact O-N 3.26Å; P132-T134 VanDerWaalsContact O-N 3.15Å; T134-E136 VanDerWaalsContact C-N 3.25Å; T134-E136 WeakPolarHBondContact CB-OE2 3.39Å; T134-E136 PolarHBondContact O-N 3.14Å; T134-E136 PolarHBondContact OG1-N 3.11Å; T134-E136 PolarHBondContact OG1-OE2 3.5Å; T134-W137 WeakPolarHBondContact O-CB 3.36Å; T134-W137 PolarHBondContact O-N 2.72Å; T134-W137 PolarHBondContact OG1-N 2.66Å
135	Y	98.6	Very high	98	Very high	11 Å²	11	8.1 Å²	8.1	4%	0.043	4%	0.041	C	C	.	.	H	α-helix	trans	-58.1	-40.9	175	174	-112.8	0	0	0	111.9	V91 F93 V98 K100 F105 D108 W137 I138 L139	V91-Y135 HydrophobicContact CG2-CD2 3.97Å; V91-Y135 HydrophobicContact CG2-CE2 3.82Å; F93-Y135 HydrophobicContact CD2-CD2 4.21Å; F93-Y135 HydrophobicContact CE2-CD2 4.01Å; V98-Y135 HydrophobicContact CG1-CD1 4.2Å; V98-Y135 HydrophobicContact CG1-CD2 3.91Å; V98-Y135 HydrophobicContact CG1-CE2 4.45Å; V98-Y135 HydrophobicContact CG1-CG 3.79Å; K100-Y135 HydrophobicContact CG-CE2 3.72Å; F105-Y135 AromaticContact CD2-CE2 3.77Å; F105-Y135 HydrophobicContact CD2-CE2 3.77Å; F105-Y135 AromaticContact CE2-CE2 3.91Å; F105-Y135 HydrophobicContact CE2-CE2 3.91Å; D108-Y135 VanDerWaalsContact CB-OH 3.24Å; D108-Y135 WeakPolarHBondContact CB-OH 3.16Å; D108-Y135 PolarHBondContact OD2-OH 2.89Å; Y135-W137 PolarHBondContact O-N 2.97Å; Y135-I138 HydrophobicContact CD2-CG2 4.44Å; Y135-I138 VanDerWaalsContact O-CG2 3.24Å; Y135-I138 WeakPolarHBondContact O-CG2 3.22Å; Y135-I138 PolarHBondContact O-N 2.66Å; Y135-L139 HydrophobicContact CE1-CB 4.43Å; Y135-L139 HydrophobicContact CE1-CD2 3.94Å; Y135-L139 WeakPolarHBondContact O-CB 3.09Å; Y135-L139 PolarHBondContact O-N 2.55Å
136	E	98.6	Very high	98	Very high	38 Å²	38	7 Å²	7	18%	0.178	4%	0.035	C	C	.	.	H	α-helix	trans	-67	-29.4	-178.7	-51.8	73.8	-149.5	0	0	111	T134 L139 F140 L219 F229	T134-E136 VanDerWaalsContact C-N 3.25Å; T134-E136 WeakPolarHBondContact CB-OE2 3.39Å; T134-E136 PolarHBondContact O-N 3.14Å; T134-E136 PolarHBondContact OG1-N 3.11Å; T134-E136 PolarHBondContact OG1-OE2 3.5Å; E136-L139 PolarHBondContact O-N 3.24Å; E136-F140 HydrophobicContact CB-CD2 4.23Å; E136-F140 HydrophobicContact CB-CE2 4.29Å; E136-F140 WeakPolarHBondContact O-CB 3.49Å; E136-F140 WeakPolarHBondContact O-CD2 3.45Å; E136-F140 PolarHBondContact O-N 2.65Å; E136-L219 HydrophobicContact CB-CD1 4.23Å; E136-L219 HydrophobicContact CB-CD2 3.67Å; E136-L219 HydrophobicContact CG-CD2 3.87Å; E136-F229 HydrophobicContact CB-CE2 4.28Å; E136-F229 HydrophobicContact CG-CD1 4.18Å; E136-F229 HydrophobicContact CG-CD2 4.07Å; E136-F229 HydrophobicContact CG-CE1 3.99Å; E136-F229 HydrophobicContact CG-CE2 3.88Å; E136-F229 HydrophobicContact CG-CG 4.22Å; E136-F229 HydrophobicContact CG-CZ 3.83Å
137	W	98.3	Very high	98	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.008	3%	0.03	C	C	.	.	H	α-helix	trans	-60.7	-52.6	174.6	-161.3	111.3	0	0	0	111.6	M129 T134 Y135 F140 Q141 Q151 L306	M129-W137 HydrophobicContact CB-CZ2 4.39Å; M129-W137 HydrophobicContact CE-CB 4.24Å; M129-W137 HydrophobicContact CE-CG 4.17Å; T134-W137 WeakPolarHBondContact O-CB 3.36Å; T134-W137 PolarHBondContact O-N 2.72Å; T134-W137 PolarHBondContact OG1-N 2.66Å; Y135-W137 PolarHBondContact O-N 2.97Å; W137-F140 PolarHBondContact O-N 2.93Å; W137-Q141 HydrophobicContact CE3-CB 4.35Å; W137-Q141 HydrophobicContact CZ3-CB 3.97Å; W137-Q141 HydrophobicContact CZ3-CG 4.16Å; W137-Q141 PolarHBondContact O-N 2.88Å; W137-Q141 VanDerWaalsContact O-N 3.12Å; W137-Q151 VanDerWaalsContact CZ2-NE2 3.3Å; W137-L306 HydrophobicContact CB-CD1 3.98Å; W137-L306 HydrophobicContact CD2-CB 3.54Å; W137-L306 HydrophobicContact CD2-CD1 4.1Å; W137-L306 HydrophobicContact CD2-CG 4.39Å; W137-L306 HydrophobicContact CE3-CB 3.52Å; W137-L306 HydrophobicContact CE3-CD1 3.87Å; W137-L306 HydrophobicContact CE3-CD2 4.22Å; W137-L306 HydrophobicContact CE3-CG 4.08Å; W137-L306 HydrophobicContact CG-CB 4.07Å; W137-L306 HydrophobicContact CG-CD1 4.13Å; W137-L306 HydrophobicContact CH2-CB 4.27Å; W137-L306 WeakPolarHBondContact CH2-O 3.08Å; W137-L306 HydrophobicContact CZ2-CB 4.3Å; W137-L306 VanDerWaalsContact CZ2-O 3.3Å; W137-L306 WeakPolarHBondContact CZ2-O 3.34Å; W137-L306 HydrophobicContact CZ3-CB 3.89Å; W137-L306 HydrophobicContact CZ3-CD2 4.37Å
138	I	98.3	Very high	97.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-71.3	-34.9	179.4	-171	159.3	0	0	0	111.4	V91 F93 F105 Y135 F140 Q141 F142 L306 M319 L326 F328	V91-I138 HydrophobicContact CG1-CD1 4Å; V91-I138 HydrophobicContact CG1-CG2 4.38Å; F93-I138 HydrophobicContact CE2-CG2 3.85Å; F93-I138 HydrophobicContact CZ-CG2 3.74Å; F105-I138 HydrophobicContact CE2-CG2 4.41Å; F105-I138 HydrophobicContact CZ-CG1 4.2Å; Y135-I138 HydrophobicContact CD2-CG2 4.44Å; Y135-I138 VanDerWaalsContact O-CG2 3.24Å; Y135-I138 WeakPolarHBondContact O-CG2 3.22Å; Y135-I138 PolarHBondContact O-N 2.66Å; I138-F140 PolarHBondContact O-N 2.9Å; I138-Q141 WeakPolarHBondContact O-CB 3.49Å; I138-Q141 PolarHBondContact O-N 3.29Å; I138-F142 HydrophobicContact CG1-CD2 4.24Å; I138-F142 HydrophobicContact CG1-CE2 4.06Å; I138-F142 WeakPolarHBondContact O-CD2 3.4Å; I138-F142 PolarHBondContact O-N 3.2Å; I138-L306 HydrophobicContact CB-CD1 4.38Å; I138-M319 HydrophobicContact CD1-CE 3.86Å; I138-M319 HydrophobicContact CG1-CE 4.45Å; I138-L326 HydrophobicContact CD1-CD1 3.83Å; I138-F328 HydrophobicContact CD1-CE2 4.45Å; I138-F328 HydrophobicContact CD1-CZ 4.36Å
139	L	98.9	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-56.9	-50.1	171.9	172.3	59	0	0	0	112	F105 D108 V109 A112 Y135 E136 Q141 F142 A143 F229 M233	F105-L139 HydrophobicContact CE2-CB 4.32Å; F105-L139 HydrophobicContact CE2-CD1 4.47Å; D108-L139 VanDerWaalsContact C-CD1 3.42Å; D108-L139 HydrophobicContact CB-CD1 3.8Å; D108-L139 HydrophobicContact CB-CD2 4.48Å; V109-L139 HydrophobicContact CB-CD1 4.33Å; V109-L139 HydrophobicContact CG2-CD1 3.75Å; A112-L139 HydrophobicContact CB-CD1 4.06Å; A112-L139 HydrophobicContact CB-CD2 4.38Å; A112-L139 HydrophobicContact CB-CG 4.13Å; Y135-L139 HydrophobicContact CE1-CB 4.43Å; Y135-L139 HydrophobicContact CE1-CD2 3.94Å; Y135-L139 WeakPolarHBondContact O-CB 3.09Å; Y135-L139 PolarHBondContact O-N 2.55Å; E136-L139 PolarHBondContact O-N 3.24Å; L139-Q141 VanDerWaalsContact C-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.92Å; L139-F142 PolarHBondContact O-N 2.96Å; L139-A143 WeakPolarHBondContact O-CB 3.33Å; L139-A143 PolarHBondContact O-N 2.93Å; L139-F229 HydrophobicContact CD2-CE2 3.75Å; L139-F229 HydrophobicContact CD2-CZ 3.54Å; L139-M233 HydrophobicContact CD2-CE 4.32Å; L139-M233 HydrophobicContact CD2-SD 4.13Å
140	F	98.8	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67	-29.3	179.3	-80.7	-60.4	0	0	0	112.9	A112 L116 M129 E136 W137 I138 F142 A143 T144 V176 L219 F229 V232	A112-F140 HydrophobicContact CB-CE1 4.45Å; L116-F140 HydrophobicContact CD1-CD1 4.07Å; L116-F140 HydrophobicContact CD1-CE1 4.21Å; L116-F140 HydrophobicContact CD2-CD1 4.42Å; L116-F140 HydrophobicContact CD2-CE1 3.89Å; L116-F140 HydrophobicContact CG-CE1 4.17Å; M129-F140 HydrophobicContact CE-CB 4.45Å; M129-F140 HydrophobicContact CE-CD2 4.21Å; M129-F140 HydrophobicContact CG-CB 4.39Å; M129-F140 HydrophobicContact SD-CB 3.51Å; M129-F140 VanDerWaalsContact SD-CB 3.51Å; M129-F140 HydrophobicContact SD-CD2 3.86Å; M129-F140 HydrophobicContact SD-CG 3.91Å; E136-F140 HydrophobicContact CB-CD2 4.23Å; E136-F140 HydrophobicContact CB-CE2 4.29Å; E136-F140 WeakPolarHBondContact O-CB 3.49Å; E136-F140 WeakPolarHBondContact O-CD2 3.45Å; E136-F140 PolarHBondContact O-N 2.65Å; W137-F140 PolarHBondContact O-N 2.93Å; I138-F140 PolarHBondContact O-N 2.9Å; F140-F142 VanDerWaalsContact C-N 3.29Å; F140-F142 PolarHBondContact O-N 2.98Å; F140-A143 HydrophobicContact CD1-CB 4.45Å; F140-A143 PolarHBondContact O-N 3.26Å; F140-T144 VanDerWaalsContact O-CB 3.31Å; F140-T144 WeakPolarHBondContact O-CB 3.46Å; F140-T144 VanDerWaalsContact O-CG2 3.3Å; F140-T144 WeakPolarHBondContact O-CG2 3.32Å; F140-T144 PolarHBondContact O-N 2.93Å; F140-T144 PolarHBondContact O-OG1 3.43Å; F140-V176 HydrophobicContact CD2-CG1 3.96Å; F140-V176 HydrophobicContact CD2-CG2 4.11Å; F140-V176 HydrophobicContact CE2-CG1 3.83Å; F140-V176 HydrophobicContact CE2-CG2 4Å; F140-V176 HydrophobicContact CZ-CG2 4.3Å; F140-L219 HydrophobicContact CE2-CD2 4.46Å; F140-F229 AromaticContact CE2-CD2 3.75Å; F140-F229 HydrophobicContact CE2-CD2 3.75Å; F140-F229 AromaticContact CE2-CE2 3.88Å; F140-F229 HydrophobicContact CE2-CE2 3.88Å; F140-F229 AromaticContact CZ-CD2 3.85Å; F140-F229 HydrophobicContact CZ-CD2 3.85Å; F140-F229 AromaticContact CZ-CE2 3.98Å; F140-F229 HydrophobicContact CZ-CE2 3.98Å; F140-V232 HydrophobicContact CE1-CG1 4.48Å
141	Q	98.8	Very high	98	Very high	13 Å²	13	5.8 Å²	5.8	6%	0.061	3%	0.031	C	C	.	.	H	α-helix	trans	-56.4	-42.7	172.3	-172.4	-173.3	9	0	0	112.3	W137 I138 L139 T144 A145 S312	W137-Q141 HydrophobicContact CE3-CB 4.35Å; W137-Q141 HydrophobicContact CZ3-CB 3.97Å; W137-Q141 HydrophobicContact CZ3-CG 4.16Å; W137-Q141 PolarHBondContact O-N 2.88Å; W137-Q141 VanDerWaalsContact O-N 3.12Å; I138-Q141 WeakPolarHBondContact O-CB 3.49Å; I138-Q141 PolarHBondContact O-N 3.29Å; L139-Q141 VanDerWaalsContact C-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.92Å; Q141-T144 PolarHBondContact O-OG1 2.97Å; Q141-A145 WeakPolarHBondContact O-CB 3.39Å; Q141-S312 PolarHBondContact NE2-O 2.96Å
142	F	98.9	Very high	98.3	Very high	1 Å²	1	5.5 Å²	5.5	0%	0.004	3%	0.029	C	C	.	.	H	α-helix	trans	-82.8	-38.4	178.3	-76	-88.5	0	0	0	112.5	V74 L78 F105 V109 I138 L139 F140 A145 K146 G316 I317 M319 A320	V74-F142 HydrophobicContact CG1-CD1 3.46Å; V74-F142 VanDerWaalsContact CG1-CD1 3.46Å; V74-F142 HydrophobicContact CG1-CE1 3.42Å; V74-F142 VanDerWaalsContact CG1-CE1 3.42Å; V74-F142 HydrophobicContact CG1-CG 4.33Å; V74-F142 HydrophobicContact CG1-CZ 4.28Å; L78-F142 HydrophobicContact CB-CD1 4Å; L78-F142 HydrophobicContact CB-CE1 4Å; L78-F142 HydrophobicContact CD2-CB 4.39Å; L78-F142 HydrophobicContact CD2-CD1 3.71Å; L78-F142 HydrophobicContact CD2-CE1 4.31Å; L78-F142 HydrophobicContact CD2-CG 4.14Å; L78-F142 HydrophobicContact CG-CD1 4.36Å; F105-F142 HydrophobicContact CE1-CB 4.32Å; F105-F142 AromaticContact CE1-CD2 3.66Å; F105-F142 HydrophobicContact CE1-CD2 3.66Å; F105-F142 HydrophobicContact CE1-CE2 4.13Å; F105-F142 AromaticContact CE1-CG 3.91Å; F105-F142 HydrophobicContact CE1-CG 3.91Å; F105-F142 HydrophobicContact CZ-CB 4.35Å; F105-F142 AromaticContact CZ-CD2 3.66Å; F105-F142 HydrophobicContact CZ-CD2 3.66Å; F105-F142 HydrophobicContact CZ-CE2 4.31Å; F105-F142 HydrophobicContact CZ-CG 4.17Å; V109-F142 HydrophobicContact CB-CB 4.44Å; V109-F142 HydrophobicContact CG1-CB 3.97Å; V109-F142 HydrophobicContact CG2-CB 3.51Å; V109-F142 HydrophobicContact CG2-CG 4.48Å; I138-F142 HydrophobicContact CG1-CD2 4.24Å; I138-F142 HydrophobicContact CG1-CE2 4.06Å; I138-F142 WeakPolarHBondContact O-CD2 3.4Å; I138-F142 PolarHBondContact O-N 3.2Å; L139-F142 PolarHBondContact O-N 2.96Å; F140-F142 VanDerWaalsContact C-N 3.29Å; F140-F142 PolarHBondContact O-N 2.98Å; F142-A145 PolarHBondContact O-N 3.33Å; F142-K146 VanDerWaalsContact O-CB 3.31Å; F142-K146 WeakPolarHBondContact O-CB 3.42Å; F142-K146 PolarHBondContact O-N 3.19Å; F142-G316 WeakPolarHBondContact CZ-O 3.49Å; F142-I317 HydrophobicContact CZ-CD1 4.19Å; F142-M319 HydrophobicContact CE2-CE 3.88Å; F142-M319 HydrophobicContact CZ-CE 4.12Å; F142-A320 HydrophobicContact CE1-CB 3.34Å; F142-A320 HydrophobicContact CZ-CB 3.45Å; F142-A320 VanDerWaalsContact CZ-CB 3.45Å
143	A	98.9	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.9	-44.6	-179.9	0	0	0	0	0	112.7	A112 A113 L139 F140 K146 A147	A112-A143 HydrophobicContact CB-CB 3.5Å; A112-A143 VanDerWaalsContact CB-CB 3.5Å; A113-A143 HydrophobicContact CB-CB 4.21Å; A113-A143 WeakPolarHBondContact CB-O 3.24Å; L139-A143 WeakPolarHBondContact O-CB 3.33Å; L139-A143 PolarHBondContact O-N 2.93Å; F140-A143 HydrophobicContact CD1-CB 4.45Å; F140-A143 PolarHBondContact O-N 3.26Å; A143-K146 PolarHBondContact O-N 2.86Å; A143-A147 WeakPolarHBondContact O-CB 3.27Å; A143-A147 PolarHBondContact O-N 3.14Å
144	T	98.9	Very high	98.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.9	-49.9	175.2	52.2	0	0	0	0	111	L116 L127 F140 Q141 K146 A147 G148 I149	L116-T144 HydrophobicContact CD1-CG2 3.8Å; L127-T144 HydrophobicContact CB-CG2 4.21Å; L127-T144 HydrophobicContact CD1-CG2 4.14Å; L127-T144 HydrophobicContact CD2-CG2 4.15Å; L127-T144 HydrophobicContact CG-CG2 4.41Å; F140-T144 VanDerWaalsContact O-CB 3.31Å; F140-T144 WeakPolarHBondContact O-CB 3.46Å; F140-T144 VanDerWaalsContact O-CG2 3.3Å; F140-T144 WeakPolarHBondContact O-CG2 3.32Å; F140-T144 PolarHBondContact O-N 2.93Å; F140-T144 PolarHBondContact O-OG1 3.43Å; Q141-T144 PolarHBondContact O-OG1 2.97Å; T144-K146 VanDerWaalsContact C-N 3.33Å; T144-K146 PolarHBondContact O-N 2.9Å; T144-A147 CarbonylContact O-C 3.58Å; T144-A147 WeakPolarHBondContact O-CA 3.34Å; T144-A147 PolarHBondContact O-N 2.89Å; T144-G148 PolarHBondContact O-N 3.44Å; T144-I149 CarbonylContact C-O 3.52Å; T144-I149 WeakPolarHBondContact CB-O 3.48Å; T144-I149 HydrophobicContact CG2-CB 4.21Å; T144-I149 HydrophobicContact CG2-CG2 3.9Å; T144-I149 PolarHBondContact O-N 3.44Å
145	A	98.6	Very high	97.6	Very high	3 Å²	3	5.5 Å²	5.5	3%	0.025	3%	0.028	C	C	.	.	H	α-helix	trans	-60.2	-38.7	177.8	0	0	0	0	0	112.9	V74 Q141 F142 A147 G148 L251 I257	V74-A145 HydrophobicContact CB-CB 3.95Å; V74-A145 HydrophobicContact CG1-CB 3.99Å; Q141-A145 WeakPolarHBondContact O-CB 3.39Å; F142-A145 PolarHBondContact O-N 3.33Å; A145-A147 VanDerWaalsContact C-N 3.3Å; A145-A147 PolarHBondContact O-N 2.64Å; A145-G148 PolarHBondContact O-N 3.31Å; A145-L251 WeakPolarHBondContact O-CD1 3.32Å; A145-I257 HydrophobicContact CB-CG2 4.47Å
146	K	98.6	Very high	97	Very high	7 Å²	7	5.7 Å²	5.7	3%	0.03	3%	0.03	C	C	.	.	H	α-helix	trans	-66.4	-31	174.9	-166.7	164	-172.6	163.1	0	112.5	A75 V109 D110 A113 F142 A143 T144 L244 Q248	A75-K146 HydrophobicContact CB-CB 3.87Å; A75-K146 HydrophobicContact CB-CD 4.04Å; A75-K146 HydrophobicContact CB-CG 3.71Å; V109-K146 HydrophobicContact CG1-CB 4.46Å; V109-K146 HydrophobicContact CG1-CD 3.94Å; D110-K146 WeakPolarHBondContact OD1-CD 3.27Å; D110-K146 VanDerWaalsContact OD1-CE 3.24Å; D110-K146 WeakPolarHBondContact OD1-CE 3.1Å; D110-K146 IonicContact OD1-NZ 2.85Å; D110-K146 PolarHBondContact OD1-NZ 2.63Å; D110-K146 IonicContact OD2-NZ 2.7Å; A113-K146 HydrophobicContact CB-CB 4.35Å; F142-K146 VanDerWaalsContact O-CB 3.31Å; F142-K146 WeakPolarHBondContact O-CB 3.42Å; F142-K146 PolarHBondContact O-N 3.19Å; A143-K146 PolarHBondContact O-N 2.86Å; T144-K146 VanDerWaalsContact C-N 3.33Å; T144-K146 PolarHBondContact O-N 2.9Å; K146-L244 HydrophobicContact CD-CD2 4.37Å; K146-L244 HydrophobicContact CG-CD1 4.2Å; K146-L244 HydrophobicContact CG-CD2 4.29Å; K146-L244 HydrophobicContact CG-CG 4.37Å; K146-L244 WeakPolarHBondContact O-CD1 3.37Å; K146-Q248 VanDerWaalsContact CE-CD 3.43Å; K146-Q248 HydrophobicContact CG-CG 4.2Å
147	A	98.6	Very high	96.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.9	174.5	0	0	0	0	0	114.3	A113 L117 A143 T144 A145 I149 L244 L247	A113-A147 HydrophobicContact CB-CB 4.39Å; L117-A147 HydrophobicContact CD2-CB 4.23Å; L117-A147 HydrophobicContact CG-CB 4.45Å; A143-A147 WeakPolarHBondContact O-CB 3.27Å; A143-A147 PolarHBondContact O-N 3.14Å; T144-A147 CarbonylContact O-C 3.58Å; T144-A147 WeakPolarHBondContact O-CA 3.34Å; T144-A147 PolarHBondContact O-N 2.89Å; A145-A147 VanDerWaalsContact C-N 3.3Å; A145-A147 PolarHBondContact O-N 2.64Å; A147-I149 HydrophobicContact CB-CD1 3.76Å; A147-I149 HydrophobicContact CB-CG1 4.05Å; A147-I149 PolarHBondContact O-N 3.46Å; A147-I149 VanDerWaalsContact O-N 3.16Å; A147-L244 HydrophobicContact CB-CD1 4.02Å; A147-L247 WeakPolarHBondContact O-CD2 3.36Å
148	G	98.5	Very high	95.3	Very high	2 Å²	2	6 Å²	6	2%	0.021	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	16.2	-175.7	0	0	0	0	0	114.8	K123 G124 T144 A145	K123-G148 CarbonylContact C-O 3.49Å; K123-G148 VanDerWaalsContact CA-O 3.29Å; K123-G148 WeakPolarHBondContact CA-O 3.26Å; G124-G148 PolarHBondContact N-O 2.82Å; T144-G148 PolarHBondContact O-N 3.44Å; A145-G148 PolarHBondContact O-N 3.31Å
149	I	98.8	Very high	94.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.			trans	-82.7	138.9	176	-64.2	165.7	0	0	0	107.6	L116 L121 D125 L127 T144 A147 Q151	L116-I149 HydrophobicContact CB-CD1 3.78Å; L116-I149 HydrophobicContact CD1-CD1 3.94Å; L116-I149 HydrophobicContact CG-CD1 4.48Å; L121-I149 HydrophobicContact CB-CD1 3.62Å; L121-I149 HydrophobicContact CB-CG1 4.32Å; L121-I149 HydrophobicContact CD1-CD1 4.19Å; D125-I149 WeakPolarHBondContact O-CG2 3.28Å; L127-I149 HydrophobicContact CB-CG2 3.83Å; T144-I149 CarbonylContact C-O 3.52Å; T144-I149 WeakPolarHBondContact CB-O 3.48Å; T144-I149 HydrophobicContact CG2-CB 4.21Å; T144-I149 HydrophobicContact CG2-CG2 3.9Å; T144-I149 PolarHBondContact O-N 3.44Å; A147-I149 HydrophobicContact CB-CD1 3.76Å; A147-I149 HydrophobicContact CB-CG1 4.05Å; A147-I149 PolarHBondContact O-N 3.46Å; A147-I149 VanDerWaalsContact O-N 3.16Å; I149-Q151 PolarHBondContact O-N 3.4Å
150	I	98.9	Very high	93.7	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.7	-178.6	-50	-179.3	0	0	0	108.8	D125 R126 L127 V152 P256 I259 W470	D125-I150 PolarHBondContact O-N 3.36Å; R126-I150 WeakPolarHBondContact CA-O 3.38Å; R126-I150 HydrophobicContact CG-CB 4.15Å; R126-I150 HydrophobicContact CG-CG2 4.47Å; L127-I150 PolarHBondContact N-O 3.23Å; I150-V152 PolarHBondContact O-N 2.91Å; I150-P256 HydrophobicContact CD1-CB 4.14Å; I150-P256 HydrophobicContact CD1-CG 3.94Å; I150-P256 WeakPolarHBondContact CG1-O 3.31Å; I150-I259 HydrophobicContact CG2-CD1 3.76Å; I150-I259 HydrophobicContact CG2-CG1 3.72Å; I150-W470 HydrophobicContact CD1-CH2 3.87Å; I150-W470 HydrophobicContact CD1-CZ3 3.76Å
151	Q	98.8	Very high	92.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120.4	174.3	-168.5	-175.6	-96.3	0	0	110.9	M129 W137 I149 I257 N258 I259	M129-Q151 HydrophobicContact CB-CG 4.38Å; M129-Q151 HydrophobicContact CG-CG 3.71Å; M129-Q151 VanDerWaalsContact CG-OE1 3.29Å; W137-Q151 VanDerWaalsContact CZ2-NE2 3.3Å; I149-Q151 PolarHBondContact O-N 3.4Å; Q151-I257 PolarHBondContact N-O 3.45Å; Q151-N258 CarbonylContact O-C 3.57Å; Q151-N258 VanDerWaalsContact O-CA 3.29Å; Q151-N258 WeakPolarHBondContact O-CA 3.38Å; Q151-N258 PolarHBondContact O-ND2 3.2Å; Q151-I259 PolarHBondContact O-N 2.96Å
152	V	98.6	Very high	92	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.3	172.9	-176.5	0	0	0	0	108.5	R126 L127 G128 M129 I150 V154 V170 I259 F261	R126-V152 HydrophobicContact CB-CG2 3.78Å; R126-V152 HydrophobicContact CG-CG2 3.82Å; L127-V152 PolarHBondContact O-N 3.4Å; G128-V152 WeakPolarHBondContact CA-O 3.37Å; M129-V152 PolarHBondContact N-O 3.01Å; I150-V152 PolarHBondContact O-N 2.91Å; V152-V154 HydrophobicContact CG1-CG2 4.19Å; V152-V154 PolarHBondContact O-N 3.1Å; V152-V170 HydrophobicContact CB-CG2 4.47Å; V152-V170 HydrophobicContact CG1-CG2 3.99Å; V152-V170 HydrophobicContact CG2-CG2 3.77Å; V152-I259 WeakPolarHBondContact CA-O 3.3Å; V152-I259 HydrophobicContact CG2-CB 4.26Å; V152-I259 HydrophobicContact CG2-CD1 4.28Å; V152-F261 HydrophobicContact CG1-CD2 4.22Å; V152-F261 HydrophobicContact CG1-CE2 3.62Å
153	S	95.5	Very high	91.5	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	105.7	176.4	-58.6	0	0	0	0	110.2	N258 I259 Y307	S153-N258 PolarHBondContact OG-ND2 3.23Å; S153-I259 PolarHBondContact N-O 2.88Å; S153-Y307 WeakPolarHBondContact CB-O 3.37Å
154	V	91.4	Very high	91.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.9	-178.8	-170.3	0	0	0	0	110	M129 W130 V152 Y158 V163	M129-V154 WeakPolarHBondContact O-CB 3.49Å; M129-V154 PolarHBondContact O-N 3.39Å; W130-V154 HydrophobicContact CB-CB 3.84Å; W130-V154 HydrophobicContact CB-CG1 4.12Å; W130-V154 HydrophobicContact CB-CG2 4.44Å; W130-V154 VanDerWaalsContact CD1-CG1 3.41Å; W130-V154 HydrophobicContact CG-CB 4.04Å; W130-V154 HydrophobicContact CG-CG1 3.79Å; V152-V154 HydrophobicContact CG1-CG2 4.19Å; V152-V154 PolarHBondContact O-N 3.1Å; V154-Y158 HydrophobicContact CG1-CD2 3.85Å; V154-Y158 HydrophobicContact CG1-CE2 4.38Å; V154-V163 HydrophobicContact CG1-CG2 4.2Å
155	N	86.6	Confident	90.6	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.171	14%	0.144	C	C	.	.			trans	-67.2	123.3	-179.1	172.7	-28.1	0	0	0	111.3	W130 A157 Y158 Y307 V593	W130-N155 VanDerWaalsContact CD1-O 3.24Å; W130-N155 PolarHBondContact NE1-O 3.25Å; N155-A157 PolarHBondContact O-N 3.43Å; N155-A157 VanDerWaalsContact O-N 3.15Å; N155-A157 PolarHBondContact OD1-N 3.11Å; N155-Y158 HydrophobicContact CB-CD1 3.66Å; N155-Y158 HydrophobicContact CB-CD2 3.88Å; N155-Y158 HydrophobicContact CB-CE1 3.6Å; N155-Y158 HydrophobicContact CB-CE2 3.81Å; N155-Y158 HydrophobicContact CB-CG 3.81Å; N155-Y158 WeakPolarHBondContact O-CB 3.38Å; N155-Y158 PolarHBondContact O-N 2.66Å; N155-Y158 VanDerWaalsContact O-N 3.11Å; N155-Y307 HydrophobicContact CB-CD2 4.43Å; N155-Y307 HydrophobicContact CB-CE2 4.36Å; N155-V593 VanDerWaalsContact CG-CG2 3.44Å; N155-V593 VanDerWaalsContact ND2-CG2 3.31Å; N155-V593 WeakPolarHBondContact ND2-CG2 3.15Å; N155-V593 WeakPolarHBondContact OD1-CG2 3.33Å
156	P	85.7	Confident	90.1	Very high	14 Å²	14	29 Å²	29	9%	0.091	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.5	-172.9	26.2	-34.6	0	0	0	115.6	G131 Y186 Y307	G131-P156 WeakPolarHBondContact O-CB 3.36Å; P156-Y186 WeakPolarHBondContact CB-OH 3.45Å; P156-Y186 WeakPolarHBondContact O-CE1 3.43Å; P156-Y186 PolarHBondContact O-OH 2.79Å; P156-Y307 HydrophobicContact CG-CD1 3.65Å; P156-Y307 HydrophobicContact CG-CE1 3.56Å
157	A	79.3	Confident	90	Very high	34 Å²	34	28.9 Å²	28.9	28%	0.281	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-1.4	172.6	0	0	0	0	0	114.2	N155 Q159 V593	N155-A157 PolarHBondContact O-N 3.43Å; N155-A157 VanDerWaalsContact O-N 3.15Å; N155-A157 PolarHBondContact OD1-N 3.11Å; A157-Q159 PolarHBondContact O-N 2.79Å; A157-Q159 PolarHBondContact O-NE2 3.1Å; A157-V593 HydrophobicContact CB-CB 4.47Å; A157-V593 HydrophobicContact CB-CG1 3.23Å; A157-V593 HydrophobicContact CB-CG2 4.49Å
158	Y	81.9	Confident	89.9	Confident	14 Å²	14	35.1 Å²	35.1	6%	0.055	17%	0.166	C	C	.	.			trans	-51.9	130	172.7	-79.9	-9	0	0	0	110.5	W130 V154 N155 E162 A166 P269	W130-Y158 WeakPolarHBondContact CZ2-O 3.32Å; V154-Y158 HydrophobicContact CG1-CD2 3.85Å; V154-Y158 HydrophobicContact CG1-CE2 4.38Å; N155-Y158 HydrophobicContact CB-CD1 3.66Å; N155-Y158 HydrophobicContact CB-CD2 3.88Å; N155-Y158 HydrophobicContact CB-CE1 3.6Å; N155-Y158 HydrophobicContact CB-CE2 3.81Å; N155-Y158 HydrophobicContact CB-CG 3.81Å; N155-Y158 WeakPolarHBondContact O-CB 3.38Å; N155-Y158 PolarHBondContact O-N 2.66Å; N155-Y158 VanDerWaalsContact O-N 3.11Å; Y158-E162 WeakPolarHBondContact CA-OE2 3.39Å; Y158-E162 HydrophobicContact CD1-CB 3.71Å; Y158-E162 HydrophobicContact CD1-CG 4.34Å; Y158-E162 HydrophobicContact CD2-CB 4.15Å; Y158-E162 HydrophobicContact CE1-CB 4.32Å; Y158-E162 HydrophobicContact CG-CB 3.61Å; Y158-A166 HydrophobicContact CD2-CB 4.32Å; Y158-A166 HydrophobicContact CE2-CB 4.04Å; Y158-P269 WeakPolarHBondContact OH-CG 3.46Å
159	Q	80.5	Confident	89.7	Confident	90 Å²	90	37.5 Å²	37.5	42%	0.421	18%	0.176	S	C	.	.			trans	-85.7	173.2	171.2	-60.5	-53.4	-72.1	0	0	110.2	A157 M161 E162 V163 Q184	A157-Q159 PolarHBondContact O-N 2.79Å; A157-Q159 PolarHBondContact O-NE2 3.1Å; Q159-M161 VanDerWaalsContact C-N 3.27Å; Q159-M161 PolarHBondContact O-N 2.95Å; Q159-E162 PolarHBondContact N-OE2 2.93Å; Q159-E162 PolarHBondContact O-N 2.73Å; Q159-V163 PolarHBondContact O-N 2.89Å; Q159-Q184 VanDerWaalsContact NE2-CD 3.34Å
160	Q	82.8	Confident	89.6	Confident	57 Å²	57	37.7 Å²	37.7	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-43.3	-46.4	-172.4	-164.5	-174.2	-10.9	0	0	114.7	V163 E164 K192 I193	Q160-V163 WeakPolarHBondContact O-CG1 3.27Å; Q160-E164 VanDerWaalsContact O-CB 3.27Å; Q160-E164 WeakPolarHBondContact O-CB 3.4Å; Q160-E164 PolarHBondContact O-N 3.23Å; Q160-K192 VanDerWaalsContact NE2-C 3.26Å; Q160-K192 PolarHBondContact NE2-O 3.06Å; Q160-I193 HydrophobicContact CG-CD1 3.8Å; Q160-I193 HydrophobicContact CG-CG1 3.42Å; Q160-I193 VanDerWaalsContact CG-CG1 3.42Å
161	M	80.4	Confident	89.5	Confident	158 Å²	158	38 Å²	38	78%	0.778	18%	0.181	S	C	*	.	H	α-helix	trans	-70.6	-36.9	179.8	-63.2	-173.7	-66.5	0	0	113.3	Q159 Y165	Q159-M161 VanDerWaalsContact C-N 3.27Å; Q159-M161 PolarHBondContact O-N 2.95Å; M161-Y165 VanDerWaalsContact O-CB 3.28Å; M161-Y165 WeakPolarHBondContact O-CB 3.49Å; M161-Y165 PolarHBondContact O-N 2.84Å
162	E	81.3	Confident	89.5	Confident	88 Å²	88	38 Å²	38	41%	0.411	18%	0.181	S	C	.	.	H	α-helix	trans	-73	-40.5	-178	-63.4	169.2	113.3	0	0	111	Y158 Q159 A166	Y158-E162 WeakPolarHBondContact CA-OE2 3.39Å; Y158-E162 HydrophobicContact CD1-CB 3.71Å; Y158-E162 HydrophobicContact CD1-CG 4.34Å; Y158-E162 HydrophobicContact CD2-CB 4.15Å; Y158-E162 HydrophobicContact CE1-CB 4.32Å; Y158-E162 HydrophobicContact CG-CB 3.61Å; Q159-E162 PolarHBondContact N-OE2 2.93Å; Q159-E162 PolarHBondContact O-N 2.73Å; E162-A166 WeakPolarHBondContact O-CB 3.3Å; E162-A166 PolarHBondContact O-N 3.47Å
163	V	88.9	Confident	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.5	-40.9	175.3	67.7	0	0	0	0	111.8	W130 V154 Q159 Q160 Y165 A166 L167 I175 I193	W130-V163 HydrophobicContact CD2-CG2 3.89Å; W130-V163 HydrophobicContact CE3-CG2 3.98Å; W130-V163 HydrophobicContact CH2-CB 4.01Å; W130-V163 HydrophobicContact CH2-CG1 3.65Å; W130-V163 HydrophobicContact CH2-CG2 3.9Å; W130-V163 HydrophobicContact CZ2-CB 3.75Å; W130-V163 HydrophobicContact CZ2-CG1 3.83Å; W130-V163 HydrophobicContact CZ2-CG2 3.81Å; W130-V163 HydrophobicContact CZ3-CG1 4.34Å; W130-V163 HydrophobicContact CZ3-CG2 3.99Å; V154-V163 HydrophobicContact CG1-CG2 4.2Å; Q159-V163 PolarHBondContact O-N 2.89Å; Q160-V163 WeakPolarHBondContact O-CG1 3.27Å; V163-Y165 VanDerWaalsContact C-N 3.34Å; V163-Y165 PolarHBondContact O-N 3.36Å; V163-A166 PolarHBondContact O-N 3.38Å; V163-L167 HydrophobicContact CG2-CD1 3.89Å; V163-L167 HydrophobicContact CG2-CG 4.08Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.46Å; V163-L167 PolarHBondContact O-N 2.65Å; V163-I175 HydrophobicContact CG2-CD1 4.49Å; V163-I193 HydrophobicContact CG1-CD1 3.64Å
164	E	92.9	Very high	89.6	Confident	30 Å²	30	38.9 Å²	38.9	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-46.6	173.4	179	-179.1	-168.2	0	0	111	Q160 R168 I193 R209 L210	Q160-E164 VanDerWaalsContact O-CB 3.27Å; Q160-E164 WeakPolarHBondContact O-CB 3.4Å; Q160-E164 PolarHBondContact O-N 3.23Å; E164-R168 WeakPolarHBondContact O-CB 3.38Å; E164-R168 PolarHBondContact O-N 2.89Å; E164-I193 HydrophobicContact CB-CD1 4.14Å; E164-I193 HydrophobicContact CB-CG1 4.36Å; E164-I193 HydrophobicContact CB-CG2 4.17Å; E164-I193 HydrophobicContact CG-CG2 3.97Å; E164-R209 WeakPolarHBondContact OE1-CB 3.31Å; E164-R209 IonicContact OE1-CZ 3.41Å; E164-R209 IonicContact OE1-NE 3.54Å; E164-R209 PolarHBondContact OE1-NE 3.38Å; E164-R209 IonicContact OE1-NH2 3.59Å; E164-R209 IonicContact OE2-CZ 2.66Å; E164-R209 IonicContact OE2-NE 3.31Å; E164-R209 PolarHBondContact OE2-NE 3.34Å; E164-R209 IonicContact OE2-NH2 2.65Å; E164-R209 PolarHBondContact OE2-NH2 3.49Å; E164-L210 HydrophobicContact CG-CD2 4.15Å
165	Y	87	Confident	90	Very high	76 Å²	76	38.9 Å²	38.9	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-57	-50.8	174.4	173.2	-91.8	0	0	0	111.3	M161 V163 R168 K169 A268 P269	M161-Y165 VanDerWaalsContact O-CB 3.28Å; M161-Y165 WeakPolarHBondContact O-CB 3.49Å; M161-Y165 PolarHBondContact O-N 2.84Å; V163-Y165 VanDerWaalsContact C-N 3.34Å; V163-Y165 PolarHBondContact O-N 3.36Å; Y165-R168 PolarHBondContact O-N 3.39Å; Y165-K169 HydrophobicContact CE1-CB 4.25Å; Y165-K169 HydrophobicContact CE1-CG 4.33Å; Y165-K169 WeakPolarHBondContact O-CB 3.4Å; Y165-K169 PolarHBondContact O-N 2.82Å; Y165-A268 HydrophobicContact CE1-CB 4.13Å; Y165-A268 HydrophobicContact CE2-CB 4.14Å; Y165-A268 WeakPolarHBondContact OH-CB 3.3Å; Y165-P269 WeakPolarHBondContact CE1-O 3.48Å
166	A	88.4	Confident	90.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-51.6	-178.1	0	0	0	0	0	112	Y158 E162 V163 R168 K169 V170 F261	Y158-A166 HydrophobicContact CD2-CB 4.32Å; Y158-A166 HydrophobicContact CE2-CB 4.04Å; E162-A166 WeakPolarHBondContact O-CB 3.3Å; E162-A166 PolarHBondContact O-N 3.47Å; V163-A166 PolarHBondContact O-N 3.38Å; A166-R168 PolarHBondContact O-N 3.28Å; A166-K169 PolarHBondContact O-N 2.77Å; A166-V170 PolarHBondContact O-N 2.98Å; A166-F261 HydrophobicContact CB-CD2 4.17Å; A166-F261 HydrophobicContact CB-CE1 4.35Å; A166-F261 HydrophobicContact CB-CE2 3.61Å; A166-F261 HydrophobicContact CB-CZ 3.7Å; A166-F261 WeakPolarHBondContact O-CZ 3.46Å
167	L	96.3	Very high	91.2	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-41.1	-179.5	-63.5	174.3	0	0	0	112	V163 G171 C172 I175 L190 L210	V163-L167 HydrophobicContact CG2-CD1 3.89Å; V163-L167 HydrophobicContact CG2-CG 4.08Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.46Å; V163-L167 PolarHBondContact O-N 2.65Å; L167-G171 CarbonylContact O-C 3.6Å; L167-G171 WeakPolarHBondContact O-CA 3.4Å; L167-G171 PolarHBondContact O-N 2.95Å; L167-C172 HydrophobicContact CB-CB 4.42Å; L167-C172 HydrophobicContact CD2-CB 3.72Å; L167-C172 PolarHBondContact O-N 3.44Å; L167-I175 HydrophobicContact CD1-CD1 3.93Å; L167-I175 HydrophobicContact CD2-CB 4.42Å; L167-I175 HydrophobicContact CD2-CD1 3.97Å; L167-I175 HydrophobicContact CD2-CG1 4.42Å; L167-I175 HydrophobicContact CG-CD1 4.48Å; L167-L190 HydrophobicContact CD1-CD2 4.28Å; L167-L210 HydrophobicContact CB-CD1 4.19Å; L167-L210 HydrophobicContact CB-CD2 3.92Å; L167-L210 HydrophobicContact CD1-CD1 3.67Å
168	R	95.8	Very high	92	Very high	132 Å²	132	35.7 Å²	35.7	50%	0.498	16%	0.163	S	C	.	.	H	α-helix	trans	-68.4	-40.9	176.7	-178.4	-179.7	-90.9	-166	-16.2	112.1	E164 Y165 A166 V170 G171 A208 R209 L210	E164-R168 WeakPolarHBondContact O-CB 3.38Å; E164-R168 PolarHBondContact O-N 2.89Å; Y165-R168 PolarHBondContact O-N 3.39Å; A166-R168 PolarHBondContact O-N 3.28Å; R168-V170 VanDerWaalsContact C-N 3.33Å; R168-V170 PolarHBondContact O-N 2.74Å; R168-G171 PolarHBondContact O-N 3.1Å; R168-A208 PolarHBondContact NH2-O 3Å; R168-R209 PolarHBondContact NE-O 3.03Å; R168-R209 PolarHBondContact NH2-O 3.22Å; R168-L210 HydrophobicContact CB-CD2 3.95Å
169	K	93.5	Very high	92.8	Very high	52 Å²	52	36.7 Å²	36.7	23%	0.226	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-39.3	-175.9	177.7	57.2	169	178.5	0	112.7	Y165 A166 F261 E472	Y165-K169 HydrophobicContact CE1-CB 4.25Å; Y165-K169 HydrophobicContact CE1-CG 4.33Å; Y165-K169 WeakPolarHBondContact O-CB 3.4Å; Y165-K169 PolarHBondContact O-N 2.82Å; A166-K169 PolarHBondContact O-N 2.77Å; K169-F261 HydrophobicContact CG-CE1 4.44Å; K169-E472 VanDerWaalsContact CE-CD 3.43Å; K169-E472 WeakPolarHBondContact CE-OE1 3.42Å; K169-E472 IonicContact NZ-OE1 3.67Å; K169-E472 PolarHBondContact NZ-OE1 2.93Å
170	V	96.7	Very high	93.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-100.5	-7.9	176.1	-54.3	0	0	0	0	113	R126 V152 A166 R168 C172 I259 F261 W470	R126-V170 HydrophobicContact CG-CB 4.44Å; R126-V170 HydrophobicContact CG-CG2 4.47Å; R126-V170 PolarHBondContact NE-O 2.73Å; R126-V170 PolarHBondContact NH2-O 2.74Å; R126-V170 VanDerWaalsContact NH2-O 3.07Å; V152-V170 HydrophobicContact CB-CG2 4.47Å; V152-V170 HydrophobicContact CG1-CG2 3.99Å; V152-V170 HydrophobicContact CG2-CG2 3.77Å; A166-V170 PolarHBondContact O-N 2.98Å; R168-V170 VanDerWaalsContact C-N 3.33Å; R168-V170 PolarHBondContact O-N 2.74Å; V170-C172 WeakPolarHBondContact CG2-SG 3.5Å; V170-I259 HydrophobicContact CB-CD1 4.36Å; V170-I259 HydrophobicContact CG1-CD1 4.22Å; V170-I259 HydrophobicContact CG1-CG2 4.12Å; V170-F261 HydrophobicContact CG1-CE2 4.45Å; V170-F261 HydrophobicContact CG1-CZ 3.81Å; V170-W470 HydrophobicContact CB-CG 4.44Å; V170-W470 HydrophobicContact CG1-CB 4.32Å; V170-W470 HydrophobicContact CG1-CG 4.09Å
171	G	97.4	Very high	94	Very high	8 Å²	8	37.3 Å²	37.3	8%	0.082	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	46.4	179.7	0	0	0	0	0	113.6	R126 L167 R168 Q173 E212	R126-G171 PolarHBondContact NH2-O 3.17Å; L167-G171 CarbonylContact O-C 3.6Å; L167-G171 WeakPolarHBondContact O-CA 3.4Å; L167-G171 PolarHBondContact O-N 2.95Å; R168-G171 PolarHBondContact O-N 3.1Å; G171-Q173 PolarHBondContact O-N 3.22Å; G171-Q173 PolarHBondContact O-OE1 2.96Å; G171-E212 WeakPolarHBondContact O-CB 3.22Å
172	C	98.1	Very high	94.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	17%	0.167	C	C	.	.			trans	-54.2	125.1	179.6	-72	0	0	0	0	112	R126 L167 V170 L213	R126-C172 CarbonylContact O-C 3.33Å; R126-C172 WeakPolarHBondContact O-CA 3.44Å; L167-C172 HydrophobicContact CB-CB 4.42Å; L167-C172 HydrophobicContact CD2-CB 3.72Å; L167-C172 PolarHBondContact O-N 3.44Å; V170-C172 WeakPolarHBondContact CG2-SG 3.5Å; C172-L213 VanDerWaalsContact O-CA 3.32Å; C172-L213 WeakPolarHBondContact O-CA 3.35Å; C172-L213 PolarHBondContact O-N 3.42Å
173	Q	98.7	Very high	94.4	Very high	23 Å²	23	39.9 Å²	39.9	11%	0.107	18%	0.184	C	C	.	.	S	Bend	trans	-83.9	-24.2	172.2	-65.4	97.5	-19.9	0	0	112.9	L121 D125 R126 G171 E212 R214 S215	L121-Q173 HydrophobicContact CD2-CB 3.93Å; D125-Q173 PolarHBondContact OD1-NE2 3.06Å; D125-Q173 PolarHBondContact OD1-OE1 3.25Å; R126-Q173 VanDerWaalsContact NH1-OE1 3.14Å; R126-Q173 PolarHBondContact O-N 2.99Å; G171-Q173 PolarHBondContact O-N 3.22Å; G171-Q173 PolarHBondContact O-OE1 2.96Å; Q173-E212 WeakPolarHBondContact CA-O 3.4Å; Q173-E212 HydrophobicContact CG-CB 4.45Å; Q173-E212 WeakPolarHBondContact CG-O 3.37Å; Q173-R214 PolarHBondContact O-N 2.82Å; Q173-S215 PolarHBondContact O-N 3.44Å; Q173-S215 VanDerWaalsContact O-N 3.15Å
174	A	98.8	Very high	94.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.3	172.6	0	0	0	0	0	112.2	L121 R126 L127 G128 S215	L121-A174 HydrophobicContact CD1-CB 3.98Å; L121-A174 HydrophobicContact CD2-CB 4.16Å; R126-A174 PolarHBondContact O-N 3.49Å; L127-A174 WeakPolarHBondContact CA-O 3.39Å; L127-A174 HydrophobicContact CB-CB 4.4Å; L127-A174 HydrophobicContact CD1-CB 4.07Å; L127-A174 HydrophobicContact CG-CB 4.05Å; G128-A174 PolarHBondContact N-O 2.93Å; A174-S215 VanDerWaalsContact CA-O 3.28Å; A174-S215 WeakPolarHBondContact CA-O 3.45Å
175	I	98.7	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139	165	-172.7	175.9	0	0	0	110.5	G128 W130 V163 L167 L190 L213 S215 V216 I217	G128-I175 CarbonylContact O-C 3.51Å; G128-I175 WeakPolarHBondContact O-CA 3.21Å; G128-I175 WeakPolarHBondContact O-CG1 3.43Å; W130-I175 HydrophobicContact CB-CD1 3.84Å; W130-I175 HydrophobicContact CB-CG1 4.18Å; W130-I175 HydrophobicContact CD2-CD1 4.18Å; W130-I175 HydrophobicContact CE3-CD1 3.61Å; W130-I175 HydrophobicContact CG-CD1 4.34Å; W130-I175 HydrophobicContact CZ3-CD1 4.46Å; V163-I175 HydrophobicContact CG2-CD1 4.49Å; L167-I175 HydrophobicContact CD1-CD1 3.93Å; L167-I175 HydrophobicContact CD2-CB 4.42Å; L167-I175 HydrophobicContact CD2-CD1 3.97Å; L167-I175 HydrophobicContact CD2-CG1 4.42Å; L167-I175 HydrophobicContact CG-CD1 4.48Å; I175-L190 HydrophobicContact CD1-CD1 4.43Å; I175-L190 HydrophobicContact CD1-CD2 4.26Å; I175-L190 HydrophobicContact CG2-CD1 3.93Å; I175-L190 HydrophobicContact CG2-CD2 4.24Å; I175-L213 HydrophobicContact CG2-CD1 4.12Å; I175-S215 PolarHBondContact N-O 3.17Å; I175-V216 HydrophobicContact CG2-CB 4.33Å; I175-V216 HydrophobicContact CG2-CG1 4.28Å; I175-V216 HydrophobicContact CG2-CG2 3.83Å; I175-V216 WeakPolarHBondContact O-CA 3.48Å; I175-I217 PolarHBondContact O-N 3.48Å
176	V	98.8	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.8	173.2	-180	0	0	0	0	108.9	L127 G128 M129 W130 F140 I217 L219	L127-V176 HydrophobicContact CD1-CG2 4.22Å; L127-V176 HydrophobicContact CD2-CG2 3.81Å; L127-V176 HydrophobicContact CG-CG2 4.28Å; G128-V176 PolarHBondContact O-N 3.11Å; M129-V176 HydrophobicContact CE-CB 3.83Å; M129-V176 HydrophobicContact CE-CG1 3.63Å; M129-V176 HydrophobicContact SD-CB 3.56Å; M129-V176 VanDerWaalsContact SD-CB 3.56Å; M129-V176 HydrophobicContact SD-CG1 3.92Å; M129-V176 HydrophobicContact SD-CG2 3.86Å; W130-V176 PolarHBondContact N-O 2.68Å; F140-V176 HydrophobicContact CD2-CG1 3.96Å; F140-V176 HydrophobicContact CD2-CG2 4.11Å; F140-V176 HydrophobicContact CE2-CG1 3.83Å; F140-V176 HydrophobicContact CE2-CG2 4Å; F140-V176 HydrophobicContact CZ-CG2 4.3Å; V176-I217 WeakPolarHBondContact CA-O 3.17Å; V176-I217 HydrophobicContact CB-CB 4.5Å; V176-I217 HydrophobicContact CG1-CG2 4.48Å; V176-I217 HydrophobicContact CG2-CB 3.94Å; V176-I217 HydrophobicContact CG2-CD1 3.84Å; V176-I217 HydrophobicContact CG2-CG1 4.46Å; V176-I217 HydrophobicContact CG2-CG2 4.27Å; V176-L219 HydrophobicContact CG1-CD1 4.45Å; V176-L219 HydrophobicContact CG1-CD2 3.41Å; V176-L219 VanDerWaalsContact CG1-CD2 3.41Å; V176-L219 HydrophobicContact CG1-CG 4.03Å
177	C	98.4	Very high	95.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.2	174.7	58.5	0	0	0	0	111.6	W130 Y186 I217 L218 L219	W130-C177 HydrophobicContact CB-CB 4.33Å; W130-C177 HydrophobicContact CE3-CB 4.26Å; W130-C177 WeakPolarHBondContact O-CA 3.38Å; W130-C177 WeakPolarHBondContact O-CB 3.42Å; C177-Y186 HydrophobicContact CB-CG 4.22Å; C177-I217 PolarHBondContact N-O 2.87Å; C177-I217 VanDerWaalsContact N-O 3.12Å; C177-L218 WeakPolarHBondContact O-CA 3.47Å; C177-L218 WeakPolarHBondContact O-CD2 3.26Å; C177-L219 PolarHBondContact O-N 2.92Å; C177-L219 VanDerWaalsContact O-N 3.16Å
178	P	97.6	Very high	95.1	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.078	21%	0.208	C	C	.	.			trans	-68.3	169.9	161.3	32.2	-33	0	0	0	109.9	Y186	P178-Y186 HydrophobicContact CG-CD2 3.74Å; P178-Y186 HydrophobicContact CG-CE2 3.7Å; P178-Y186 WeakPolarHBondContact O-CB 3.34Å; P178-Y186 WeakPolarHBondContact O-CD2 3.46Å
179	T	97.4	Very high	95.1	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.209	19%	0.188	C	C	.	.	S	Bend	trans	-66.1	-46.3	176.1	-63	0	0	0	0	110.3	Y186 C187 D220 S221	T179-Y186 PolarHBondContact O-N 2.8Å; T179-Y186 VanDerWaalsContact O-N 3.08Å; T179-C187 HydrophobicContact CG2-CB 3.99Å; T179-C187 PolarHBondContact O-N 3.07Å; T179-D220 VanDerWaalsContact CB-OD1 3.28Å; T179-D220 WeakPolarHBondContact CB-OD1 3.46Å; T179-D220 WeakPolarHBondContact CB-OD2 3.35Å; T179-D220 PolarHBondContact N-OD1 3.37Å; T179-D220 PolarHBondContact N-OD2 3.03Å; T179-D220 PolarHBondContact OG1-OD1 3.24Å; T179-S221 PolarHBondContact OG1-OG 3.33Å
180	E	96	Very high	95.2	Very high	105 Å²	105	36.4 Å²	36.4	49%	0.491	18%	0.177	S	C	.	.			trans	-149.6	160.8	175	57.1	176.1	-147.3	0	0	113.2	Q184 K185	E180-Q184 CarbonylContact C-O 3.11Å; E180-Q184 WeakPolarHBondContact CA-O 3.44Å; E180-Q184 WeakPolarHBondContact CB-O 3.35Å; E180-K185 HydrophobicContact CB-CG 4.43Å; E180-K185 IonicContact OE2-NZ 3.24Å
181	F	92.5	Very high	95.2	Very high	55 Å²	55	38 Å²	38	24%	0.241	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-151.3	125.3	168.8	179.7	-110.9	0	0	0	111.2	P132 T183 Q184 Y186 A331	P132-F181 HydrophobicContact CB-CD1 3.92Å; P132-F181 HydrophobicContact CB-CD2 4.21Å; P132-F181 HydrophobicContact CB-CE1 3.77Å; P132-F181 HydrophobicContact CB-CE2 4.08Å; P132-F181 HydrophobicContact CB-CG 4.13Å; P132-F181 HydrophobicContact CB-CZ 3.85Å; P132-F181 HydrophobicContact CG-CB 4.31Å; P132-F181 HydrophobicContact CG-CD1 4.1Å; P132-F181 HydrophobicContact CG-CD2 3.84Å; P132-F181 HydrophobicContact CG-CE1 4.37Å; P132-F181 HydrophobicContact CG-CE2 4.13Å; P132-F181 HydrophobicContact CG-CG 3.82Å; P132-F181 HydrophobicContact CG-CZ 4.38Å; F181-T183 PolarHBondContact O-N 3.48Å; F181-Q184 PolarHBondContact N-O 3.02Å; F181-Q184 WeakPolarHBondContact O-CB 3.41Å; F181-Q184 PolarHBondContact O-N 2.96Å; F181-Y186 HydrophobicContact CB-CE2 3.67Å; F181-A331 HydrophobicContact CE2-CB 3.88Å; F181-A331 HydrophobicContact CZ-CB 4.2Å
182	R	88.1	Confident	95.2	Very high	177 Å²	177	43.5 Å²	43.5	67%	0.668	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-105.5	-173.7	-61.4	178.6	177.3	-170.5	-2.1	110.9	G332 Y333	R182-G332 VanDerWaalsContact NH2-C 3.34Å; R182-G332 PolarHBondContact NH2-O 3.27Å; R182-G332 VanDerWaalsContact NH2-O 3.16Å; R182-Y333 PolarHBondContact NH2-O 3.42Å
183	T	82.3	Confident	95	Very high	124 Å²	124	43.4 Å²	43.4	76%	0.761	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-3.7	178.3	56.5	0	0	0	0	113.5	F181	F181-T183 PolarHBondContact O-N 3.48Å
184	Q	85.9	Confident	94.8	Very high	27 Å²	27	42.3 Å²	42.3	13%	0.126	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-92.6	125.4	-173.4	-59.8	-62.7	-14.8	0	0	110.9	Q159 E180 F181 Y186	Q159-Q184 VanDerWaalsContact NE2-CD 3.34Å; E180-Q184 CarbonylContact C-O 3.11Å; E180-Q184 WeakPolarHBondContact CA-O 3.44Å; E180-Q184 WeakPolarHBondContact CB-O 3.35Å; F181-Q184 PolarHBondContact N-O 3.02Å; F181-Q184 WeakPolarHBondContact O-CB 3.41Å; F181-Q184 PolarHBondContact O-N 2.96Å; Q184-Y186 HydrophobicContact CB-CE1 3.91Å; Q184-Y186 HydrophobicContact CB-CE2 4.06Å
185	K	93.8	Very high	94.7	Very high	106 Å²	106	46 Å²	46	46%	0.461	22%	0.224	S	C	.	.			trans	-110.6	81.6	177.7	-59.7	-160.3	175.3	-150.6	0	110.6	E180 D188 M189	E180-K185 HydrophobicContact CB-CG 4.43Å; E180-K185 IonicContact OE2-NZ 3.24Å; K185-D188 HydrophobicContact CB-CB 3.9Å; K185-D188 WeakPolarHBondContact CD-OD2 3.4Å; K185-D188 PolarHBondContact O-N 2.78Å; K185-M189 WeakPolarHBondContact O-CB 3.39Å; K185-M189 WeakPolarHBondContact O-CG 3.17Å; K185-M189 PolarHBondContact O-N 3.22Å
186	Y	96.1	Very high	94.5	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-46.8	-172.4	-55.4	-71.5	0	0	0	112.2	W130 P156 C177 P178 T179 F181 Q184 M189 L190	W130-Y186 AromaticContact CD2-CD1 3.48Å; W130-Y186 HydrophobicContact CD2-CD1 3.48Å; W130-Y186 VanDerWaalsContact CD2-CD1 3.48Å; W130-Y186 AromaticContact CD2-CE1 3.97Å; W130-Y186 HydrophobicContact CD2-CE1 3.97Å; W130-Y186 HydrophobicContact CD2-CG 4.45Å; W130-Y186 AromaticContact CE2-CD1 3.44Å; W130-Y186 VanDerWaalsContact CE2-CD1 3.44Å; W130-Y186 AromaticContact CE2-CE1 3.69Å; W130-Y186 AromaticContact CE3-CD1 3.59Å; W130-Y186 HydrophobicContact CE3-CD1 3.59Å; W130-Y186 HydrophobicContact CE3-CG 4.21Å; W130-Y186 HydrophobicContact CG-CD1 4.18Å; W130-Y186 HydrophobicContact CG-CE1 4.3Å; W130-Y186 AromaticContact CH2-CD1 3.71Å; W130-Y186 HydrophobicContact CH2-CD1 3.71Å; W130-Y186 AromaticContact CZ2-CD1 3.58Å; W130-Y186 HydrophobicContact CZ2-CD1 3.58Å; W130-Y186 HydrophobicContact CZ2-CE1 4.05Å; W130-Y186 AromaticContact CZ3-CD1 3.71Å; W130-Y186 HydrophobicContact CZ3-CD1 3.71Å; W130-Y186 HydrophobicContact CZ3-CG 4.26Å; W130-Y186 AromaticContact NE1-CE1 3.79Å; P156-Y186 WeakPolarHBondContact CB-OH 3.45Å; P156-Y186 WeakPolarHBondContact O-CE1 3.43Å; P156-Y186 PolarHBondContact O-OH 2.79Å; C177-Y186 HydrophobicContact CB-CG 4.22Å; P178-Y186 HydrophobicContact CG-CD2 3.74Å; P178-Y186 HydrophobicContact CG-CE2 3.7Å; P178-Y186 WeakPolarHBondContact O-CB 3.34Å; P178-Y186 WeakPolarHBondContact O-CD2 3.46Å; T179-Y186 PolarHBondContact O-N 2.8Å; T179-Y186 VanDerWaalsContact O-N 3.08Å; F181-Y186 HydrophobicContact CB-CE2 3.67Å; Q184-Y186 HydrophobicContact CB-CE1 3.91Å; Q184-Y186 HydrophobicContact CB-CE2 4.06Å; Y186-M189 HydrophobicContact CD1-CE 4.35Å; Y186-M189 PolarHBondContact O-N 2.77Å; Y186-L190 WeakPolarHBondContact O-CG 3.22Å; Y186-L190 PolarHBondContact O-N 3.4Å
187	C	96	Very high	94.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-47.7	179	-177.2	0	0	0	0	111.8	T179 M189 L190 K191 L218	T179-C187 HydrophobicContact CG2-CB 3.99Å; T179-C187 PolarHBondContact O-N 3.07Å; C187-M189 VanDerWaalsContact C-N 3.31Å; C187-M189 PolarHBondContact O-N 3.38Å; C187-L190 PolarHBondContact O-N 2.76Å; C187-K191 WeakPolarHBondContact O-CG 3.49Å; C187-K191 PolarHBondContact O-N 2.88Å; C187-L218 HydrophobicContact CB-CD2 4.39Å
188	D	96.3	Very high	94.2	Very high	67 Å²	67	54.3 Å²	54.3	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-39.6	175.8	-72.4	-4.6	0	0	0	112.3	K185 K192	K185-D188 HydrophobicContact CB-CB 3.9Å; K185-D188 WeakPolarHBondContact CD-OD2 3.4Å; K185-D188 PolarHBondContact O-N 2.78Å; D188-K192 WeakPolarHBondContact O-CD 3.36Å; D188-K192 VanDerWaalsContact O-CG 3.25Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 2.66Å
189	M	95.7	Very high	94	Very high	15 Å²	15	59 Å²	59	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-43.3	176.3	-76.9	-169.2	-81	0	0	111.5	W130 K185 Y186 C187 K192 I193	W130-M189 HydrophobicContact CH2-CB 3.98Å; W130-M189 HydrophobicContact CH2-CE 3.59Å; W130-M189 HydrophobicContact CH2-SD 4.1Å; W130-M189 HydrophobicContact CZ2-CE 3.75Å; W130-M189 HydrophobicContact CZ2-SD 4.39Å; K185-M189 WeakPolarHBondContact O-CB 3.39Å; K185-M189 WeakPolarHBondContact O-CG 3.17Å; K185-M189 PolarHBondContact O-N 3.22Å; Y186-M189 HydrophobicContact CD1-CE 4.35Å; Y186-M189 PolarHBondContact O-N 2.77Å; C187-M189 VanDerWaalsContact C-N 3.31Å; C187-M189 PolarHBondContact O-N 3.38Å; M189-K192 PolarHBondContact O-N 2.67Å; M189-I193 WeakPolarHBondContact O-CD1 3.34Å; M189-I193 VanDerWaalsContact O-CG1 3.27Å; M189-I193 WeakPolarHBondContact O-CG1 3.25Å; M189-I193 PolarHBondContact O-N 3.31Å
190	L	96.9	Very high	93.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-45.3	175.9	-72.8	170.9	0	0	0	112	W130 L167 I175 Y186 C187 K192 I193 C194 I197 V216	W130-L190 HydrophobicContact CZ3-CD1 4.45Å; W130-L190 HydrophobicContact CZ3-CD2 4.42Å; W130-L190 HydrophobicContact CZ3-CG 4.08Å; L167-L190 HydrophobicContact CD1-CD2 4.28Å; I175-L190 HydrophobicContact CD1-CD1 4.43Å; I175-L190 HydrophobicContact CD1-CD2 4.26Å; I175-L190 HydrophobicContact CG2-CD1 3.93Å; I175-L190 HydrophobicContact CG2-CD2 4.24Å; Y186-L190 WeakPolarHBondContact O-CG 3.22Å; Y186-L190 PolarHBondContact O-N 3.4Å; C187-L190 PolarHBondContact O-N 2.76Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.22Å; L190-I193 PolarHBondContact O-N 3.47Å; L190-C194 PolarHBondContact O-N 2.67Å; L190-I197 HydrophobicContact CB-CD1 4.33Å; L190-V216 HydrophobicContact CD1-CG1 3.74Å; L190-V216 HydrophobicContact CD1-CG2 4.09Å
191	K	96.6	Very high	93.8	Very high	37 Å²	37	57.5 Å²	57.5	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-34.4	174.5	-70.8	-179.8	172.6	-160.7	0	112.8	C187 C194 P195 E198 M226	C187-K191 WeakPolarHBondContact O-CG 3.49Å; C187-K191 PolarHBondContact O-N 2.88Å; K191-C194 CarbonylContact O-C 3.6Å; K191-P195 VanDerWaalsContact O-CA 3.22Å; K191-P195 WeakPolarHBondContact O-CA 3.28Å; K191-P195 VanDerWaalsContact O-N 3.08Å; K191-E198 HydrophobicContact CD-CG 4.2Å; K191-E198 WeakPolarHBondContact CD-OE1 3.35Å; K191-E198 VanDerWaalsContact CE-OE1 3.28Å; K191-E198 WeakPolarHBondContact CE-OE1 3.45Å; K191-E198 HydrophobicContact CG-CG 4.35Å; K191-E198 IonicContact NZ-OE1 3.95Å; K191-E198 PolarHBondContact NZ-OE1 2.91Å; K191-M226 HydrophobicContact CG-CE 3.99Å
192	K	95.8	Very high	93.9	Very high	124 Å²	124	57.7 Å²	57.7	54%	0.539	31%	0.305	S	S	.	.	H	α-helix	trans	-76.3	-21.4	174.3	-69.9	168.1	-177.3	172.1	0	113.9	Q160 D188 M189 L190 R209	Q160-K192 VanDerWaalsContact NE2-C 3.26Å; Q160-K192 PolarHBondContact NE2-O 3.06Å; D188-K192 WeakPolarHBondContact O-CD 3.36Å; D188-K192 VanDerWaalsContact O-CG 3.25Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 2.66Å; M189-K192 PolarHBondContact O-N 2.67Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.22Å; K192-R209 PolarHBondContact O-NH1 3.13Å
193	I	94.8	Very high	94.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-84	-45	173.9	-62.6	159.4	0	0	0	109.8	Q160 V163 E164 M189 L190 R209 L210	Q160-I193 HydrophobicContact CG-CD1 3.8Å; Q160-I193 HydrophobicContact CG-CG1 3.42Å; Q160-I193 VanDerWaalsContact CG-CG1 3.42Å; V163-I193 HydrophobicContact CG1-CD1 3.64Å; E164-I193 HydrophobicContact CB-CD1 4.14Å; E164-I193 HydrophobicContact CB-CG1 4.36Å; E164-I193 HydrophobicContact CB-CG2 4.17Å; E164-I193 HydrophobicContact CG-CG2 3.97Å; M189-I193 WeakPolarHBondContact O-CD1 3.34Å; M189-I193 VanDerWaalsContact O-CG1 3.27Å; M189-I193 WeakPolarHBondContact O-CG1 3.25Å; M189-I193 PolarHBondContact O-N 3.31Å; L190-I193 PolarHBondContact O-N 3.47Å; I193-R209 HydrophobicContact CG2-CB 4.23Å; I193-R209 WeakPolarHBondContact O-CD 3.31Å; I193-R209 PolarHBondContact O-NH1 3.34Å; I193-L210 HydrophobicContact CG2-CD1 3.8Å; I193-L210 HydrophobicContact CG2-CG 3.92Å
194	C	95.5	Very high	94.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.			trans	-127.1	80	-178.1	-57.8	0	0	0	0	110.5	L190 K191 E196 I197 S207	L190-C194 PolarHBondContact O-N 2.67Å; K191-C194 CarbonylContact O-C 3.6Å; C194-E196 WeakPolarHBondContact CA-OE2 3.4Å; C194-E196 PolarHBondContact O-N 2.72Å; C194-E196 VanDerWaalsContact O-N 3.12Å; C194-I197 HydrophobicContact CB-CD1 3.77Å; C194-I197 HydrophobicContact CB-CG1 3.89Å; C194-I197 WeakPolarHBondContact O-CD1 3.39Å; C194-I197 VanDerWaalsContact O-CG1 3.23Å; C194-I197 WeakPolarHBondContact O-CG1 3.44Å; C194-I197 PolarHBondContact O-N 3.02Å; C194-I197 VanDerWaalsContact O-N 3.16Å; C194-S207 WeakPolarHBondContact SG-CB 3.14Å; C194-S207 PolarHBondContact SG-OG 3.06Å
195	P	95.1	Very high	95.3	Very high	76 Å²	76	46.9 Å²	46.9	49%	0.494	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.2	176.3	-23.4	34.6	0	0	0	113.1	K191 I197 E198	K191-P195 VanDerWaalsContact O-CA 3.22Å; K191-P195 WeakPolarHBondContact O-CA 3.28Å; K191-P195 VanDerWaalsContact O-N 3.08Å; P195-I197 PolarHBondContact O-N 3.44Å; P195-I197 VanDerWaalsContact O-N 3.11Å; P195-E198 PolarHBondContact O-N 2.74Å
196	E	95.8	Very high	95.4	Very high	62 Å²	62	47.9 Å²	47.9	29%	0.29	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.6	-16.7	177.9	-50.1	93.6	155.7	0	0	113.1	C194 E198 S199 S200 S207	C194-E196 WeakPolarHBondContact CA-OE2 3.4Å; C194-E196 PolarHBondContact O-N 2.72Å; C194-E196 VanDerWaalsContact O-N 3.12Å; E196-E198 VanDerWaalsContact C-N 3.29Å; E196-E198 PolarHBondContact O-N 2.82Å; E196-S199 PolarHBondContact O-N 3.31Å; E196-S199 PolarHBondContact O-OG 2.88Å; E196-S200 WeakPolarHBondContact O-CB 3.24Å; E196-S200 PolarHBondContact O-N 2.82Å; E196-S200 VanDerWaalsContact O-N 3.12Å; E196-S200 PolarHBondContact O-OG 3.03Å; E196-S207 WeakPolarHBondContact OE1-CA 3.24Å; E196-S207 PolarHBondContact OE1-OG 3.45Å; E196-S207 WeakPolarHBondContact OE2-CB 3.46Å; E196-S207 PolarHBondContact OE2-OG 3.32Å
197	I	95.7	Very high	95.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.1	-40.6	176.4	-61.5	167.4	0	0	0	111	L190 C194 P195 S199 S200 I205 V216 G225 M226	L190-I197 HydrophobicContact CB-CD1 4.33Å; C194-I197 HydrophobicContact CB-CD1 3.77Å; C194-I197 HydrophobicContact CB-CG1 3.89Å; C194-I197 WeakPolarHBondContact O-CD1 3.39Å; C194-I197 VanDerWaalsContact O-CG1 3.23Å; C194-I197 WeakPolarHBondContact O-CG1 3.44Å; C194-I197 PolarHBondContact O-N 3.02Å; C194-I197 VanDerWaalsContact O-N 3.16Å; P195-I197 PolarHBondContact O-N 3.44Å; P195-I197 VanDerWaalsContact O-N 3.11Å; I197-S199 PolarHBondContact O-N 3.44Å; I197-S199 VanDerWaalsContact O-N 3.15Å; I197-S200 PolarHBondContact O-N 3.36Å; I197-S200 VanDerWaalsContact O-N 3.12Å; I197-I205 HydrophobicContact CD1-CD1 4.38Å; I197-I205 HydrophobicContact CG1-CD1 3.85Å; I197-I205 HydrophobicContact CG1-CG1 4.07Å; I197-I205 HydrophobicContact CG1-CG2 4Å; I197-I205 HydrophobicContact CG2-CD1 4.44Å; I197-V216 HydrophobicContact CD1-CG2 4.03Å; I197-G225 WeakPolarHBondContact O-CA 3.33Å; I197-M226 HydrophobicContact CD1-CE 4.2Å; I197-M226 HydrophobicContact CG2-CE 3.62Å; I197-M226 HydrophobicContact CG2-CG 3.74Å
198	E	94	Very high	95.4	Very high	115 Å²	115	52.1 Å²	52.1	54%	0.537	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-69.1	-17.3	-172.9	-58	-160.4	120.5	0	0	113.9	K191 P195 E196	K191-E198 HydrophobicContact CD-CG 4.2Å; K191-E198 WeakPolarHBondContact CD-OE1 3.35Å; K191-E198 VanDerWaalsContact CE-OE1 3.28Å; K191-E198 WeakPolarHBondContact CE-OE1 3.45Å; K191-E198 HydrophobicContact CG-CG 4.35Å; K191-E198 IonicContact NZ-OE1 3.95Å; K191-E198 PolarHBondContact NZ-OE1 2.91Å; P195-E198 PolarHBondContact O-N 2.74Å; E196-E198 VanDerWaalsContact C-N 3.29Å; E196-E198 PolarHBondContact O-N 2.82Å
199	S	94.2	Very high	95.3	Very high	109 Å²	109	53 Å²	53	76%	0.762	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-109.6	-3.7	174.1	58.2	0	0	0	0	114.1	E196 I197	E196-S199 PolarHBondContact O-N 3.31Å; E196-S199 PolarHBondContact O-OG 2.88Å; I197-S199 PolarHBondContact O-N 3.44Å; I197-S199 VanDerWaalsContact O-N 3.15Å
200	S	94.1	Very high	95.4	Very high	25 Å²	25	52.4 Å²	52.4	18%	0.175	30%	0.298	C	S	.	.	S	Bend	trans	-84	155.6	179.2	-65.1	0	0	0	0	111.8	E196 I197 G225	E196-S200 WeakPolarHBondContact O-CB 3.24Å; E196-S200 PolarHBondContact O-N 2.82Å; E196-S200 VanDerWaalsContact O-N 3.12Å; E196-S200 PolarHBondContact O-OG 3.03Å; I197-S200 PolarHBondContact O-N 3.36Å; I197-S200 VanDerWaalsContact O-N 3.12Å; S200-G225 WeakPolarHBondContact O-CA 3.31Å
201	S	94.6	Very high	95.3	Very high	84 Å²	84	55.5 Å²	55.5	59%	0.587	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-80.5	148.9	159.6	-65.6	0	0	0	0	109.8	G203 D204	S201-G203 PolarHBondContact O-N 3.25Å; S201-D204 PolarHBondContact O-N 2.98Å
202	P	95.4	Very high	95.4	Very high	58 Å²	58	57.7 Å²	57.7	38%	0.377	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	125.3	174.6	-26.7	35.3	0	0	0	111.7	M226 F227	P202-M226 WeakPolarHBondContact CG-O 3.38Å; P202-F227 VanDerWaalsContact C-CE2 3.46Å; P202-F227 VanDerWaalsContact C-CZ 3.46Å; P202-F227 HydrophobicContact CB-CD1 3.76Å; P202-F227 HydrophobicContact CB-CD2 3.88Å; P202-F227 HydrophobicContact CB-CE1 3.61Å; P202-F227 HydrophobicContact CB-CE2 3.75Å; P202-F227 HydrophobicContact CB-CG 3.89Å; P202-F227 HydrophobicContact CB-CZ 3.6Å; P202-F227 WeakPolarHBondContact O-CZ 3.25Å
203	G	94.3	Very high	95.5	Very high	26 Å²	26	51.8 Å²	51.8	27%	0.268	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-5.8	-178.4	0	0	0	0	0	115.9	S201 R214 F227	S201-G203 PolarHBondContact O-N 3.25Å; G203-R214 CarbonylContact C-O 3.31Å; G203-R214 WeakPolarHBondContact CA-O 3.44Å; G203-F227 VanDerWaalsContact N-CE2 3.31Å
204	D	95.1	Very high	95.7	Very high	76 Å²	76	55.9 Å²	55.9	41%	0.406	32%	0.319	S	S	.	.			trans	-114.1	24.7	178.7	-163.4	47.6	0	0	0	113.3	S201 K206	S201-D204 PolarHBondContact O-N 2.98Å; D204-K206 PolarHBondContact O-N 3.12Å; D204-K206 WeakPolarHBondContact OD1-CE 3.14Å; D204-K206 IonicContact OD1-NZ 3.48Å; D204-K206 PolarHBondContact OD1-NZ 3.03Å; D204-K206 IonicContact OD2-NZ 2.69Å; D204-K206 PolarHBondContact OD2-NZ 3.14Å
205	I	96.2	Very high	95.8	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.32	C	S	.	.			trans	-61	128.6	177.8	-59.9	164.5	0	0	0	109.6	I197 R214 V216	I197-I205 HydrophobicContact CD1-CD1 4.38Å; I197-I205 HydrophobicContact CG1-CD1 3.85Å; I197-I205 HydrophobicContact CG1-CG1 4.07Å; I197-I205 HydrophobicContact CG1-CG2 4Å; I197-I205 HydrophobicContact CG2-CD1 4.44Å; I205-R214 WeakPolarHBondContact CB-O 3.38Å; I205-R214 WeakPolarHBondContact CD1-O 3.41Å; I205-R214 VanDerWaalsContact CG1-O 3.29Å; I205-R214 WeakPolarHBondContact CG1-O 3.15Å; I205-R214 PolarHBondContact N-O 2.8Å; I205-R214 PolarHBondContact O-NH1 3.41Å; I205-V216 HydrophobicContact CD1-CB 4.4Å; I205-V216 HydrophobicContact CD1-CG2 3.85Å
206	K	95.9	Very high	95.9	Very high	127 Å²	127	52.4 Å²	52.4	55%	0.552	30%	0.296	S	S	*	.			trans	-130.6	86.5	179.2	-72	165.1	-173	137.8	0	109.6	D204	D204-K206 PolarHBondContact O-N 3.12Å; D204-K206 WeakPolarHBondContact OD1-CE 3.14Å; D204-K206 IonicContact OD1-NZ 3.48Å; D204-K206 PolarHBondContact OD1-NZ 3.03Å; D204-K206 IonicContact OD2-NZ 2.69Å; D204-K206 PolarHBondContact OD2-NZ 3.14Å
207	S	95.9	Very high	96.1	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	28%	0.282	C	S	.	.			trans	-108	135.2	179.4	-170.4	0	0	0	0	112.4	C194 E196 R209 L210 P211	C194-S207 WeakPolarHBondContact SG-CB 3.14Å; C194-S207 PolarHBondContact SG-OG 3.06Å; E196-S207 WeakPolarHBondContact OE1-CA 3.24Å; E196-S207 PolarHBondContact OE1-OG 3.45Å; E196-S207 WeakPolarHBondContact OE2-CB 3.46Å; E196-S207 PolarHBondContact OE2-OG 3.32Å; S207-R209 PolarHBondContact O-N 2.86Å; S207-R209 PolarHBondContact OG-N 3.13Å; S207-L210 CarbonylContact O-C 3.34Å; S207-L210 VanDerWaalsContact O-C 3.26Å; S207-P211 VanDerWaalsContact O-CA 3.31Å; S207-P211 WeakPolarHBondContact O-CA 3.3Å
208	A	94.8	Very high	96.2	Very high	87 Å²	87	49.5 Å²	49.5	72%	0.719	28%	0.282	S	S	*	.	S	Bend	trans	-66.2	-23.4	173.2	0	0	0	0	0	112.6	R168	R168-A208 PolarHBondContact NH2-O 3Å
209	R	94.9	Very high	96.4	Very high	84 Å²	84	45.2 Å²	45.2	32%	0.317	26%	0.263	S	S	.	.	S	Bend	trans	-80.5	-43.8	178.3	-76.8	174.2	69.7	-172.2	7	111.8	E164 R168 K192 I193 S207 P211	E164-R209 WeakPolarHBondContact OE1-CB 3.31Å; E164-R209 IonicContact OE1-CZ 3.41Å; E164-R209 IonicContact OE1-NE 3.54Å; E164-R209 PolarHBondContact OE1-NE 3.38Å; E164-R209 IonicContact OE1-NH2 3.59Å; E164-R209 IonicContact OE2-CZ 2.66Å; E164-R209 IonicContact OE2-NE 3.31Å; E164-R209 PolarHBondContact OE2-NE 3.34Å; E164-R209 IonicContact OE2-NH2 2.65Å; E164-R209 PolarHBondContact OE2-NH2 3.49Å; R168-R209 PolarHBondContact NE-O 3.03Å; R168-R209 PolarHBondContact NH2-O 3.22Å; K192-R209 PolarHBondContact O-NH1 3.13Å; I193-R209 HydrophobicContact CG2-CB 4.23Å; I193-R209 WeakPolarHBondContact O-CD 3.31Å; I193-R209 PolarHBondContact O-NH1 3.34Å; S207-R209 PolarHBondContact O-N 2.86Å; S207-R209 PolarHBondContact OG-N 3.13Å; R209-P211 VanDerWaalsContact O-CD 3.27Å; R209-P211 WeakPolarHBondContact O-CD 3.36Å
210	L	97.1	Very high	96.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-117	77.5	175.2	-61.6	-179.5	0	0	0	110.1	E164 L167 R168 I193 S207 E212 L213	E164-L210 HydrophobicContact CG-CD2 4.15Å; L167-L210 HydrophobicContact CB-CD1 4.19Å; L167-L210 HydrophobicContact CB-CD2 3.92Å; L167-L210 HydrophobicContact CD1-CD1 3.67Å; R168-L210 HydrophobicContact CB-CD2 3.95Å; I193-L210 HydrophobicContact CG2-CD1 3.8Å; I193-L210 HydrophobicContact CG2-CG 3.92Å; S207-L210 CarbonylContact O-C 3.34Å; S207-L210 VanDerWaalsContact O-C 3.26Å; L210-E212 PolarHBondContact O-N 3.41Å; L210-E212 VanDerWaalsContact O-N 3.17Å; L210-L213 HydrophobicContact CB-CB 3.73Å; L210-L213 HydrophobicContact CB-CD2 4.34Å; L210-L213 HydrophobicContact CD1-CD2 3.77Å; L210-L213 PolarHBondContact O-N 2.93Å; L210-L213 VanDerWaalsContact O-N 3.08Å
211	P	96.6	Very high	96.6	Very high	65 Å²	65	44 Å²	44	42%	0.422	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.4	-171	26.3	-36.1	0	0	0	113.9	S207 R209 R214	S207-P211 VanDerWaalsContact O-CA 3.31Å; S207-P211 WeakPolarHBondContact O-CA 3.3Å; R209-P211 VanDerWaalsContact O-CD 3.27Å; R209-P211 WeakPolarHBondContact O-CD 3.36Å; P211-R214 PolarHBondContact O-NH1 2.83Å; P211-R214 PolarHBondContact O-NH2 2.92Å
212	E	97.8	Very high	96.7	Very high	82 Å²	82	47 Å²	47	38%	0.383	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-23.4	175.2	-62.4	-51.2	127.1	0	0	113.6	G171 Q173 L210 R214	G171-E212 WeakPolarHBondContact O-CB 3.22Å; Q173-E212 WeakPolarHBondContact CA-O 3.4Å; Q173-E212 HydrophobicContact CG-CB 4.45Å; Q173-E212 WeakPolarHBondContact CG-O 3.37Å; L210-E212 PolarHBondContact O-N 3.41Å; L210-E212 VanDerWaalsContact O-N 3.17Å; E212-R214 PolarHBondContact O-N 2.91Å
213	L	98.3	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.243	C	C	.	.			trans	-69.3	127.4	-174.3	-173.6	70.5	0	0	0	110.6	C172 I175 L210 V216	C172-L213 VanDerWaalsContact O-CA 3.32Å; C172-L213 WeakPolarHBondContact O-CA 3.35Å; C172-L213 PolarHBondContact O-N 3.42Å; I175-L213 HydrophobicContact CG2-CD1 4.12Å; L210-L213 HydrophobicContact CB-CB 3.73Å; L210-L213 HydrophobicContact CB-CD2 4.34Å; L210-L213 HydrophobicContact CD1-CD2 3.77Å; L210-L213 PolarHBondContact O-N 2.93Å; L210-L213 VanDerWaalsContact O-N 3.08Å; L213-V216 HydrophobicContact CD2-CG2 4.34Å
214	R	97.8	Very high	96.7	Very high	86 Å²	86	49.6 Å²	49.6	33%	0.325	25%	0.253	S	S	.	.			trans	-118.6	-33.4	178.2	-60.7	-64.6	167.7	-94.5	-11.2	112.8	Q173 G203 I205 P211 E212	Q173-R214 PolarHBondContact O-N 2.82Å; G203-R214 CarbonylContact C-O 3.31Å; G203-R214 WeakPolarHBondContact CA-O 3.44Å; I205-R214 WeakPolarHBondContact CB-O 3.38Å; I205-R214 WeakPolarHBondContact CD1-O 3.41Å; I205-R214 VanDerWaalsContact CG1-O 3.29Å; I205-R214 WeakPolarHBondContact CG1-O 3.15Å; I205-R214 PolarHBondContact N-O 2.8Å; I205-R214 PolarHBondContact O-NH1 3.41Å; P211-R214 PolarHBondContact O-NH1 2.83Å; P211-R214 PolarHBondContact O-NH2 2.92Å; E212-R214 PolarHBondContact O-N 2.91Å
215	S	98.1	Very high	96.7	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.9	-170.3	-58.8	0	0	0	0	112	Q173 A174 I175	Q173-S215 PolarHBondContact O-N 3.44Å; Q173-S215 VanDerWaalsContact O-N 3.15Å; A174-S215 VanDerWaalsContact CA-O 3.28Å; A174-S215 WeakPolarHBondContact CA-O 3.45Å; I175-S215 PolarHBondContact N-O 3.17Å
216	V	98.4	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.2	159.9	177.3	0	0	0	0	107.2	I175 L190 I197 I205 L213 L218 M226 F227	I175-V216 HydrophobicContact CG2-CB 4.33Å; I175-V216 HydrophobicContact CG2-CG1 4.28Å; I175-V216 HydrophobicContact CG2-CG2 3.83Å; I175-V216 WeakPolarHBondContact O-CA 3.48Å; L190-V216 HydrophobicContact CD1-CG1 3.74Å; L190-V216 HydrophobicContact CD1-CG2 4.09Å; I197-V216 HydrophobicContact CD1-CG2 4.03Å; I205-V216 HydrophobicContact CD1-CB 4.4Å; I205-V216 HydrophobicContact CD1-CG2 3.85Å; L213-V216 HydrophobicContact CD2-CG2 4.34Å; V216-L218 HydrophobicContact CG1-CD2 4.23Å; V216-L218 HydrophobicContact CG1-CG 4.48Å; V216-M226 HydrophobicContact CB-CB 4.27Å; V216-M226 HydrophobicContact CB-CG 3.93Å; V216-M226 HydrophobicContact CB-SD 4.22Å; V216-M226 HydrophobicContact CG1-CB 4.38Å; V216-M226 HydrophobicContact CG1-CE 4.37Å; V216-M226 HydrophobicContact CG1-CG 4.03Å; V216-M226 HydrophobicContact CG1-SD 3.68Å; V216-M226 WeakPolarHBondContact O-CA 3.26Å; V216-F227 PolarHBondContact O-N 2.9Å
217	I	98.8	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.4	178.3	-60.3	161.9	0	0	0	107	L116 L119 I175 V176 C177 F227 V232	L116-I217 HydrophobicContact CD2-CD1 4.18Å; L119-I217 HydrophobicContact CD2-CD1 3.95Å; L119-I217 HydrophobicContact CD2-CG1 4.16Å; I175-I217 PolarHBondContact O-N 3.48Å; V176-I217 WeakPolarHBondContact CA-O 3.17Å; V176-I217 HydrophobicContact CB-CB 4.5Å; V176-I217 HydrophobicContact CG1-CG2 4.48Å; V176-I217 HydrophobicContact CG2-CB 3.94Å; V176-I217 HydrophobicContact CG2-CD1 3.84Å; V176-I217 HydrophobicContact CG2-CG1 4.46Å; V176-I217 HydrophobicContact CG2-CG2 4.27Å; C177-I217 PolarHBondContact N-O 2.87Å; C177-I217 VanDerWaalsContact N-O 3.12Å; I217-F227 CarbonylContact C-O 3.52Å; I217-F227 WeakPolarHBondContact CA-O 3.47Å; I217-F227 HydrophobicContact CG1-CB 4.19Å; I217-V232 HydrophobicContact CD1-CG2 4.06Å; I217-V232 HydrophobicContact CG1-CG2 4.03Å; I217-V232 HydrophobicContact CG2-CG2 3.86Å
218	L	98.5	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.8	175.6	-67.9	-175.4	0	0	0	111.4	C177 C187 V216 S221 Q223 M226 F227 H228 F229	C177-L218 WeakPolarHBondContact O-CA 3.47Å; C177-L218 WeakPolarHBondContact O-CD2 3.26Å; C187-L218 HydrophobicContact CB-CD2 4.39Å; V216-L218 HydrophobicContact CG1-CD2 4.23Å; V216-L218 HydrophobicContact CG1-CG 4.48Å; L218-S221 VanDerWaalsContact CB-O 3.29Å; L218-S221 WeakPolarHBondContact CB-O 3.08Å; L218-S221 WeakPolarHBondContact CD1-O 3.3Å; L218-Q223 HydrophobicContact CD1-CB 3.82Å; L218-Q223 HydrophobicContact CD1-CG 3.34Å; L218-M226 HydrophobicContact CD1-SD 3.55Å; L218-M226 VanDerWaalsContact CD1-SD 3.55Å; L218-M226 HydrophobicContact CD2-SD 4.17Å; L218-M226 HydrophobicContact CG-CB 4.41Å; L218-M226 HydrophobicContact CG-SD 3.77Å; L218-F227 PolarHBondContact N-O 3.42Å; L218-H228 CarbonylContact O-C 3.54Å; L218-F229 PolarHBondContact O-N 3.49Å
219	L	97.9	Very high	97.2	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.131	19%	0.192	C	C	.	.	S	Bend	trans	-80.6	-25.5	-178.2	-60.3	-175.7	0	0	0	114	E136 F140 V176 C177 F229	E136-L219 HydrophobicContact CB-CD1 4.23Å; E136-L219 HydrophobicContact CB-CD2 3.67Å; E136-L219 HydrophobicContact CG-CD2 3.87Å; F140-L219 HydrophobicContact CE2-CD2 4.46Å; V176-L219 HydrophobicContact CG1-CD1 4.45Å; V176-L219 HydrophobicContact CG1-CD2 3.41Å; V176-L219 VanDerWaalsContact CG1-CD2 3.41Å; V176-L219 HydrophobicContact CG1-CG 4.03Å; C177-L219 PolarHBondContact O-N 2.92Å; C177-L219 VanDerWaalsContact O-N 3.16Å; L219-F229 HydrophobicContact CD2-CB 4.26Å; L219-F229 HydrophobicContact CD2-CD2 4.42Å; L219-F229 HydrophobicContact CD2-CG 4.47Å
220	D	95.9	Very high	97.4	Very high	81 Å²	81	39.2 Å²	39.2	43%	0.433	20%	0.195	S	C	.	.	S	Bend	trans	-132.9	-13.7	-160.1	57.9	-2.2	0	0	0	115	T179	T179-D220 VanDerWaalsContact CB-OD1 3.28Å; T179-D220 WeakPolarHBondContact CB-OD1 3.46Å; T179-D220 WeakPolarHBondContact CB-OD2 3.35Å; T179-D220 PolarHBondContact N-OD1 3.37Å; T179-D220 PolarHBondContact N-OD2 3.03Å; T179-D220 PolarHBondContact OG1-OD1 3.24Å
221	S	96.3	Very high	97.4	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.203	21%	0.206	C	C	.	.			trans	-148.8	148.9	177.8	82.6	0	0	0	0	114	T179 L218 Q223	T179-S221 PolarHBondContact OG1-OG 3.33Å; L218-S221 VanDerWaalsContact CB-O 3.29Å; L218-S221 WeakPolarHBondContact CB-O 3.08Å; L218-S221 WeakPolarHBondContact CD1-O 3.3Å; S221-Q223 PolarHBondContact OG-NE2 3.4Å
222	R	96.6	Very high	97.4	Very high	147 Å²	147	38.3 Å²	38.3	56%	0.555	19%	0.186	S	C	*	.			trans	-86.6	121	173.1	-74.1	172	177.9	-74.8	-3.2	109.3	H228 D231	R222-H228 HydrophobicContact CG-CB 3.79Å; R222-D231 IonicContact CZ-OD1 2.72Å; R222-D231 IonicContact CZ-OD2 3.36Å; R222-D231 IonicContact NH1-OD1 2.64Å; R222-D231 PolarHBondContact NH1-OD1 3.29Å; R222-D231 IonicContact NH1-OD2 2.84Å; R222-D231 PolarHBondContact NH1-OD2 3.4Å; R222-D231 IonicContact NH2-OD1 3.9Å; R222-D231 PolarHBondContact NH2-OD1 3.06Å; R222-D231 IonicContact NH2-OD2 2.79Å
223	Q	95.7	Very high	97.5	Very high	63 Å²	63	35.4 Å²	35.4	29%	0.294	17%	0.173	S	C	.	.			trans	-130.3	150	-178.3	-64.7	-67.4	-29.1	0	0	111.2	L218 S221 G225 M226	L218-Q223 HydrophobicContact CD1-CB 3.82Å; L218-Q223 HydrophobicContact CD1-CG 3.34Å; S221-Q223 PolarHBondContact OG-NE2 3.4Å; Q223-G225 PolarHBondContact O-N 3.18Å; Q223-M226 HydrophobicContact CB-CB 4.33Å; Q223-M226 HydrophobicContact CB-CG 4.25Å; Q223-M226 HydrophobicContact CB-SD 3.94Å; Q223-M226 PolarHBondContact O-N 2.84Å
224	P	94.2	Very high	97.5	Very high	75 Å²	75	42.5 Å²	42.5	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	136.7	174.3	-25.9	35.2	0	0	0	112.6	M226	P224-M226 PolarHBondContact O-N 3.28Å
225	G	95.5	Very high	97.5	Very high	4 Å²	4	40.4 Å²	40.4	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	4.9	-180	0	0	0	0	0	116.5	I197 S200 Q223	I197-G225 WeakPolarHBondContact O-CA 3.33Å; S200-G225 WeakPolarHBondContact O-CA 3.31Å; Q223-G225 PolarHBondContact O-N 3.18Å
226	M	97.8	Very high	97.4	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.039	22%	0.221	C	C	.	.			trans	-120.2	147.5	180	-50.8	-173.6	-179.4	0	0	110.4	K191 I197 P202 V216 L218 Q223 P224	K191-M226 HydrophobicContact CG-CE 3.99Å; I197-M226 HydrophobicContact CD1-CE 4.2Å; I197-M226 HydrophobicContact CG2-CE 3.62Å; I197-M226 HydrophobicContact CG2-CG 3.74Å; P202-M226 WeakPolarHBondContact CG-O 3.38Å; V216-M226 HydrophobicContact CB-CB 4.27Å; V216-M226 HydrophobicContact CB-CG 3.93Å; V216-M226 HydrophobicContact CB-SD 4.22Å; V216-M226 HydrophobicContact CG1-CB 4.38Å; V216-M226 HydrophobicContact CG1-CE 4.37Å; V216-M226 HydrophobicContact CG1-CG 4.03Å; V216-M226 HydrophobicContact CG1-SD 3.68Å; V216-M226 WeakPolarHBondContact O-CA 3.26Å; L218-M226 HydrophobicContact CD1-SD 3.55Å; L218-M226 VanDerWaalsContact CD1-SD 3.55Å; L218-M226 HydrophobicContact CD2-SD 4.17Å; L218-M226 HydrophobicContact CG-CB 4.41Å; L218-M226 HydrophobicContact CG-SD 3.77Å; Q223-M226 HydrophobicContact CB-CB 4.33Å; Q223-M226 HydrophobicContact CB-CG 4.25Å; Q223-M226 HydrophobicContact CB-SD 3.94Å; Q223-M226 PolarHBondContact O-N 2.84Å; P224-M226 PolarHBondContact O-N 3.28Å
227	F	98.4	Very high	97.3	Very high	38 Å²	38	44.1 Å²	44.1	17%	0.167	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	147.9	168.6	-68.9	-77.6	0	0	0	110.2	L119 P202 G203 V216 I217 L218 V232	L119-F227 HydrophobicContact CD1-CD1 4.44Å; L119-F227 HydrophobicContact CD1-CE1 4.25Å; L119-F227 HydrophobicContact CD1-CZ 4.36Å; L119-F227 HydrophobicContact CD2-CD1 4.46Å; L119-F227 HydrophobicContact CD2-CD2 3.58Å; L119-F227 HydrophobicContact CD2-CE2 3.72Å; L119-F227 HydrophobicContact CD2-CG 3.97Å; L119-F227 HydrophobicContact CD2-CZ 4.24Å; L119-F227 HydrophobicContact CG-CD1 4.48Å; L119-F227 HydrophobicContact CG-CD2 4.1Å; L119-F227 HydrophobicContact CG-CE1 4.18Å; L119-F227 HydrophobicContact CG-CE2 3.76Å; L119-F227 HydrophobicContact CG-CG 4.44Å; L119-F227 HydrophobicContact CG-CZ 3.82Å; P202-F227 VanDerWaalsContact C-CE2 3.46Å; P202-F227 VanDerWaalsContact C-CZ 3.46Å; P202-F227 HydrophobicContact CB-CD1 3.76Å; P202-F227 HydrophobicContact CB-CD2 3.88Å; P202-F227 HydrophobicContact CB-CE1 3.61Å; P202-F227 HydrophobicContact CB-CE2 3.75Å; P202-F227 HydrophobicContact CB-CG 3.89Å; P202-F227 HydrophobicContact CB-CZ 3.6Å; P202-F227 WeakPolarHBondContact O-CZ 3.25Å; G203-F227 VanDerWaalsContact N-CE2 3.31Å; V216-F227 PolarHBondContact O-N 2.9Å; I217-F227 CarbonylContact C-O 3.52Å; I217-F227 WeakPolarHBondContact CA-O 3.47Å; I217-F227 HydrophobicContact CG1-CB 4.19Å; L218-F227 PolarHBondContact N-O 3.42Å; F227-V232 HydrophobicContact CB-CG2 4.19Å
228	H	98.5	Very high	97.2	Very high	21 Å²	21	49 Å²	49	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	151.7	161.2	-166.5	-115.6	0	0	0	110.4	L218 R222 D230 D231 V232	L218-H228 CarbonylContact O-C 3.54Å; R222-H228 HydrophobicContact CG-CB 3.79Å; H228-D230 VanDerWaalsContact C-N 3.28Å; H228-D230 IonicContact CE1-OD2 2.72Å; H228-D230 PolarHBondContact CE1-OD2 3.12Å; H228-D230 PolarHBondContact ND1-N 2.93Å; H228-D230 IonicContact ND1-OD2 3.34Å; H228-D230 PolarHBondContact ND1-OD2 3.3Å; H228-D230 PolarHBondContact O-N 3.48Å; H228-D231 VanDerWaalsContact CB-OD2 3.3Å; H228-D231 WeakPolarHBondContact CB-OD2 3.34Å; H228-D231 PolarHBondContact N-OD2 3.08Å; H228-D231 WeakPolarHBondContact O-CB 3.43Å; H228-D231 PolarHBondContact O-N 3.32Å; H228-V232 PolarHBondContact O-N 3.06Å
229	F	98.4	Very high	97.2	Very high	22 Å²	22	57.3 Å²	57.3	10%	0.096	30%	0.299	C	S	.	.	H	α-helix	trans	-51.1	-45.7	174.7	170.4	-110.7	0	0	0	112.7	E136 L139 F140 L218 L219 D231 V232 M233	E136-F229 HydrophobicContact CB-CE2 4.28Å; E136-F229 HydrophobicContact CG-CD1 4.18Å; E136-F229 HydrophobicContact CG-CD2 4.07Å; E136-F229 HydrophobicContact CG-CE1 3.99Å; E136-F229 HydrophobicContact CG-CE2 3.88Å; E136-F229 HydrophobicContact CG-CG 4.22Å; E136-F229 HydrophobicContact CG-CZ 3.83Å; L139-F229 HydrophobicContact CD2-CE2 3.75Å; L139-F229 HydrophobicContact CD2-CZ 3.54Å; F140-F229 AromaticContact CE2-CD2 3.75Å; F140-F229 HydrophobicContact CE2-CD2 3.75Å; F140-F229 AromaticContact CE2-CE2 3.88Å; F140-F229 HydrophobicContact CE2-CE2 3.88Å; F140-F229 AromaticContact CZ-CD2 3.85Å; F140-F229 HydrophobicContact CZ-CD2 3.85Å; F140-F229 AromaticContact CZ-CE2 3.98Å; F140-F229 HydrophobicContact CZ-CE2 3.98Å; L218-F229 PolarHBondContact O-N 3.49Å; L219-F229 HydrophobicContact CD2-CB 4.26Å; L219-F229 HydrophobicContact CD2-CD2 4.42Å; L219-F229 HydrophobicContact CD2-CG 4.47Å; F229-D231 PolarHBondContact O-N 3.46Å; F229-V232 WeakPolarHBondContact O-CB 3.19Å; F229-V232 PolarHBondContact O-N 2.85Å; F229-V232 VanDerWaalsContact O-N 3.1Å; F229-M233 HydrophobicContact CD1-CG 4.37Å; F229-M233 HydrophobicContact CD2-CG 4.21Å; F229-M233 HydrophobicContact CE1-CG 3.88Å; F229-M233 HydrophobicContact CE2-CG 3.7Å; F229-M233 HydrophobicContact CE2-SD 3.81Å; F229-M233 HydrophobicContact CZ-CE 4.36Å; F229-M233 HydrophobicContact CZ-CG 3.51Å; F229-M233 HydrophobicContact CZ-SD 3.72Å; F229-M233 WeakPolarHBondContact O-CG 3.29Å; F229-M233 PolarHBondContact O-N 2.72Å
230	D	98.3	Very high	97.2	Very high	69 Å²	69	57.5 Å²	57.5	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-32.3	176.8	-64.3	-39.4	0	0	0	113.6	H228 M233 Q234	H228-D230 VanDerWaalsContact C-N 3.28Å; H228-D230 IonicContact CE1-OD2 2.72Å; H228-D230 PolarHBondContact CE1-OD2 3.12Å; H228-D230 PolarHBondContact ND1-N 2.93Å; H228-D230 IonicContact ND1-OD2 3.34Å; H228-D230 PolarHBondContact ND1-OD2 3.3Å; H228-D230 PolarHBondContact O-N 3.48Å; D230-M233 PolarHBondContact O-N 2.94Å; D230-Q234 WeakPolarHBondContact O-CB 3.44Å; D230-Q234 VanDerWaalsContact O-CG 3.26Å; D230-Q234 WeakPolarHBondContact O-CG 3.4Å; D230-Q234 PolarHBondContact O-N 2.81Å; D230-Q234 VanDerWaalsContact O-N 3.14Å; D230-Q234 PolarHBondContact O-NE2 3.35Å
231	D	97.1	Very high	97.3	Very high	50 Å²	50	56.8 Å²	56.8	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-67.8	-41.8	177.9	-56.7	-34.5	0	0	0	109.8	R222 H228 F229 M233 Q234 A235	R222-D231 IonicContact CZ-OD1 2.72Å; R222-D231 IonicContact CZ-OD2 3.36Å; R222-D231 IonicContact NH1-OD1 2.64Å; R222-D231 PolarHBondContact NH1-OD1 3.29Å; R222-D231 IonicContact NH1-OD2 2.84Å; R222-D231 PolarHBondContact NH1-OD2 3.4Å; R222-D231 IonicContact NH2-OD1 3.9Å; R222-D231 PolarHBondContact NH2-OD1 3.06Å; R222-D231 IonicContact NH2-OD2 2.79Å; H228-D231 VanDerWaalsContact CB-OD2 3.3Å; H228-D231 WeakPolarHBondContact CB-OD2 3.34Å; H228-D231 PolarHBondContact N-OD2 3.08Å; H228-D231 WeakPolarHBondContact O-CB 3.43Å; H228-D231 PolarHBondContact O-N 3.32Å; F229-D231 PolarHBondContact O-N 3.46Å; D231-M233 VanDerWaalsContact C-N 3.34Å; D231-Q234 CarbonylContact O-C 3.59Å; D231-Q234 PolarHBondContact O-N 2.94Å; D231-A235 VanDerWaalsContact O-CB 3.28Å; D231-A235 WeakPolarHBondContact O-CB 3.43Å; D231-A235 PolarHBondContact O-N 2.82Å
232	V	98.3	Very high	97.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-45.7	174.9	-173.5	0	0	0	0	109.9	G115 L116 L119 F140 I217 F227 H228 F229 Q234 A235	G115-V232 WeakPolarHBondContact CA-O 3.33Å; L116-V232 HydrophobicContact CD2-CG1 4.12Å; L116-V232 HydrophobicContact CG-CG1 4.49Å; L119-V232 HydrophobicContact CD1-CG1 4.4Å; L119-V232 HydrophobicContact CD1-CG2 4.24Å; L119-V232 HydrophobicContact CD2-CG1 4.49Å; L119-V232 HydrophobicContact CD2-CG2 3.82Å; F140-V232 HydrophobicContact CE1-CG1 4.48Å; I217-V232 HydrophobicContact CD1-CG2 4.06Å; I217-V232 HydrophobicContact CG1-CG2 4.03Å; I217-V232 HydrophobicContact CG2-CG2 3.86Å; F227-V232 HydrophobicContact CB-CG2 4.19Å; H228-V232 PolarHBondContact O-N 3.06Å; F229-V232 WeakPolarHBondContact O-CB 3.19Å; F229-V232 PolarHBondContact O-N 2.85Å; F229-V232 VanDerWaalsContact O-N 3.1Å; V232-Q234 PolarHBondContact O-N 3.19Å; V232-Q234 VanDerWaalsContact O-N 3.13Å; V232-A235 PolarHBondContact O-N 3.34Å
233	M	98.6	Very high	97.4	Very high	21 Å²	21	58.8 Å²	58.8	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-18.6	177.7	-66.9	-62.4	-73.7	0	0	114.2	D108 R111 A112 L139 F229 D230 D231	D108-M233 HydrophobicContact CB-CE 4.18Å; R111-M233 HydrophobicContact CB-CE 3.86Å; R111-M233 HydrophobicContact CB-SD 4.44Å; A112-M233 HydrophobicContact CB-SD 3.7Å; L139-M233 HydrophobicContact CD2-CE 4.32Å; L139-M233 HydrophobicContact CD2-SD 4.13Å; F229-M233 HydrophobicContact CD1-CG 4.37Å; F229-M233 HydrophobicContact CD2-CG 4.21Å; F229-M233 HydrophobicContact CE1-CG 3.88Å; F229-M233 HydrophobicContact CE2-CG 3.7Å; F229-M233 HydrophobicContact CE2-SD 3.81Å; F229-M233 HydrophobicContact CZ-CE 4.36Å; F229-M233 HydrophobicContact CZ-CG 3.51Å; F229-M233 HydrophobicContact CZ-SD 3.72Å; F229-M233 WeakPolarHBondContact O-CG 3.29Å; F229-M233 PolarHBondContact O-N 2.72Å; D230-M233 PolarHBondContact O-N 2.94Å; D231-M233 VanDerWaalsContact C-N 3.34Å
234	Q	98	Very high	97.5	Very high	150 Å²	150	56.1 Å²	56.1	70%	0.701	30%	0.296	S	S	*	.	H	α-helix	trans	-110.3	-12.6	-178.9	-67	173.9	45.8	0	0	114	D230 D231 V232 G236	D230-Q234 WeakPolarHBondContact O-CB 3.44Å; D230-Q234 VanDerWaalsContact O-CG 3.26Å; D230-Q234 WeakPolarHBondContact O-CG 3.4Å; D230-Q234 PolarHBondContact O-N 2.81Å; D230-Q234 VanDerWaalsContact O-N 3.14Å; D230-Q234 PolarHBondContact O-NE2 3.35Å; D231-Q234 CarbonylContact O-C 3.59Å; D231-Q234 PolarHBondContact O-N 2.94Å; V232-Q234 PolarHBondContact O-N 3.19Å; V232-Q234 VanDerWaalsContact O-N 3.13Å; Q234-G236 VanDerWaalsContact C-N 3.32Å; Q234-G236 PolarHBondContact O-N 3.17Å
235	A	97.6	Very high	97.6	Very high	42 Å²	42	57.5 Å²	57.5	35%	0.347	30%	0.296	S	S	.	.	H	α-helix	trans	-70.9	-24.8	-176.2	0	0	0	0	0	113.7	A118 L119 D231 V232 D237	A118-A235 HydrophobicContact CB-CB 3.82Å; A118-A235 WeakPolarHBondContact CB-O 3.49Å; L119-A235 HydrophobicContact CD1-CB 3.98Å; D231-A235 VanDerWaalsContact O-CB 3.28Å; D231-A235 WeakPolarHBondContact O-CB 3.43Å; D231-A235 PolarHBondContact O-N 2.82Å; V232-A235 PolarHBondContact O-N 3.34Å; A235-D237 PolarHBondContact O-N 3.31Å
236	G	96.7	Very high	97.7	Very high	30 Å²	30	60.1 Å²	60.1	31%	0.309	31%	0.309	S	S	.	.			trans	-68.9	127.4	179.5	0	0	0	0	0	112.8	Q234	Q234-G236 VanDerWaalsContact C-N 3.32Å; Q234-G236 PolarHBondContact O-N 3.17Å
237	D	96.6	Very high	97.7	Very high	51 Å²	51	61 Å²	61	27%	0.273	31%	0.314	S	S	.	.			trans	-113.7	-178.7	171.8	78.2	10.5	0	0	0	112.1	A235 R239 H240 V241	A235-D237 PolarHBondContact O-N 3.31Å; D237-R239 PolarHBondContact O-N 2.9Å; D237-R239 VanDerWaalsContact O-N 3.13Å; D237-R239 WeakPolarHBondContact OD1-CA 3.34Å; D237-R239 WeakPolarHBondContact OD1-CB 3.4Å; D237-R239 PolarHBondContact OD1-N 2.74Å; D237-R239 IonicContact OD1-NE 3.57Å; D237-R239 IonicContact OD2-CZ 2.72Å; D237-R239 IonicContact OD2-NE 3.67Å; D237-R239 PolarHBondContact OD2-NE 2.93Å; D237-R239 IonicContact OD2-NH2 3.71Å; D237-R239 PolarHBondContact OD2-NH2 2.79Å; D237-H240 VanDerWaalsContact CG-ND1 3.3Å; D237-H240 PolarHBondContact N-ND1 2.67Å; D237-H240 PolarHBondContact O-N 2.77Å; D237-H240 IonicContact OD1-CE1 3.45Å; D237-H240 PolarHBondContact OD1-CE1 2.6Å; D237-H240 IonicContact OD1-CG 2.71Å; D237-H240 PolarHBondContact OD1-N 3.01Å; D237-H240 IonicContact OD1-ND1 2.72Å; D237-H240 PolarHBondContact OD1-ND1 2.86Å; D237-H240 IonicContact OD2-CE1 2.81Å; D237-H240 IonicContact OD2-ND1 3.35Å; D237-V241 WeakPolarHBondContact O-CG2 3.47Å; D237-V241 PolarHBondContact O-N 3.46Å
238	S	96.9	Very high	97.6	Very high	102 Å²	102	61.4 Å²	61.4	71%	0.713	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-23.8	-179.6	59.4	0	0	0	0	114.7	K242	S238-K242 WeakPolarHBondContact O-CB 3.33Å; S238-K242 PolarHBondContact O-N 2.79Å; S238-K242 VanDerWaalsContact O-N 3.16Å
239	R	98.1	Very high	97.5	Very high	175 Å²	175	67.5 Å²	67.5	66%	0.66	34%	0.343	S	S	*	.	H	α-helix	trans	-74	-42.7	174.5	-55.5	173.7	-71.5	171.7	-2	110.3	D237 K242 Q243	D237-R239 PolarHBondContact O-N 2.9Å; D237-R239 VanDerWaalsContact O-N 3.13Å; D237-R239 WeakPolarHBondContact OD1-CA 3.34Å; D237-R239 WeakPolarHBondContact OD1-CB 3.4Å; D237-R239 PolarHBondContact OD1-N 2.74Å; D237-R239 IonicContact OD1-NE 3.57Å; D237-R239 IonicContact OD2-CZ 2.72Å; D237-R239 IonicContact OD2-NE 3.67Å; D237-R239 PolarHBondContact OD2-NE 2.93Å; D237-R239 IonicContact OD2-NH2 3.71Å; D237-R239 PolarHBondContact OD2-NH2 2.79Å; R239-K242 PolarHBondContact O-N 3.34Å; R239-Q243 WeakPolarHBondContact O-CB 3.46Å; R239-Q243 PolarHBondContact O-N 3.39Å
240	H	98.3	Very high	97.4	Very high	30 Å²	30	73.6 Å²	73.6	14%	0.139	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-39.1	177.5	-56.6	95.6	0	0	0	111.9	A114 A118 D237 K242 Q243 L244	A114-H240 HydrophobicContact CB-CB 4.16Å; A118-H240 VanDerWaalsContact CA-CD2 3.48Å; A118-H240 WeakPolarHBondContact CA-CD2 3.49Å; A118-H240 WeakPolarHBondContact CA-NE2 3.11Å; A118-H240 PolarHBondContact N-CD2 3.31Å; D237-H240 VanDerWaalsContact CG-ND1 3.3Å; D237-H240 PolarHBondContact N-ND1 2.67Å; D237-H240 PolarHBondContact O-N 2.77Å; D237-H240 IonicContact OD1-CE1 3.45Å; D237-H240 PolarHBondContact OD1-CE1 2.6Å; D237-H240 IonicContact OD1-CG 2.71Å; D237-H240 PolarHBondContact OD1-N 3.01Å; D237-H240 IonicContact OD1-ND1 2.72Å; D237-H240 PolarHBondContact OD1-ND1 2.86Å; D237-H240 IonicContact OD2-CE1 2.81Å; D237-H240 IonicContact OD2-ND1 3.35Å; H240-K242 PolarHBondContact O-N 2.93Å; H240-Q243 PolarHBondContact O-N 2.8Å; H240-L244 WeakPolarHBondContact O-CB 3.39Å; H240-L244 PolarHBondContact O-N 3Å
241	V	97.3	Very high	97.4	Very high	66 Å²	66	71.3 Å²	71.3	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-45	172	174.4	0	0	0	0	111.1	A114 D237 L244 Q245	A114-V241 HydrophobicContact CB-CG2 4.15Å; D237-V241 WeakPolarHBondContact O-CG2 3.47Å; D237-V241 PolarHBondContact O-N 3.46Å; V241-L244 WeakPolarHBondContact O-CB 3.34Å; V241-L244 PolarHBondContact O-N 2.89Å; V241-Q245 WeakPolarHBondContact O-CG 3.4Å; V241-Q245 PolarHBondContact O-N 2.83Å; V241-Q245 VanDerWaalsContact O-N 3.07Å
242	K	97.8	Very high	97.4	Very high	131 Å²	131	71 Å²	71	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-64.3	-42	175.5	-175.2	177.2	178.8	-179.5	0	112.2	S238 R239 H240 L244 Q245 D246	S238-K242 WeakPolarHBondContact O-CB 3.33Å; S238-K242 PolarHBondContact O-N 2.79Å; S238-K242 VanDerWaalsContact O-N 3.16Å; R239-K242 PolarHBondContact O-N 3.34Å; H240-K242 PolarHBondContact O-N 2.93Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 2.79Å; K242-Q245 PolarHBondContact O-N 2.85Å; K242-D246 PolarHBondContact O-N 3.23Å
243	Q	97.9	Very high	97.4	Very high	87 Å²	87	74.2 Å²	74.2	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-41.9	175.3	179.7	-177.1	-21.9	0	0	111.5	L117 R239 H240 D246 L247	L117-Q243 HydrophobicContact CD1-CB 4.31Å; L117-Q243 HydrophobicContact CD1-CG 4.04Å; R239-Q243 WeakPolarHBondContact O-CB 3.46Å; R239-Q243 PolarHBondContact O-N 3.39Å; H240-Q243 PolarHBondContact O-N 2.8Å; Q243-D246 PolarHBondContact O-N 3.2Å; Q243-L247 VanDerWaalsContact O-CB 3.28Å; Q243-L247 WeakPolarHBondContact O-CB 3.47Å; Q243-L247 PolarHBondContact O-N 3.46Å
244	L	97.5	Very high	97.4	Very high	7 Å²	7	77.4 Å²	77.4	4%	0.037	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-48	176.3	-170.9	66.4	0	0	0	111.2	A113 L117 K146 A147 H240 V241 K242 D246 L247 Q248	A113-L244 HydrophobicContact CB-CD1 3.89Å; A113-L244 HydrophobicContact CB-CD2 3.63Å; A113-L244 HydrophobicContact CB-CG 4.44Å; L117-L244 HydrophobicContact CD1-CB 3.96Å; L117-L244 HydrophobicContact CD1-CD1 4.04Å; K146-L244 HydrophobicContact CD-CD2 4.37Å; K146-L244 HydrophobicContact CG-CD1 4.2Å; K146-L244 HydrophobicContact CG-CD2 4.29Å; K146-L244 HydrophobicContact CG-CG 4.37Å; K146-L244 WeakPolarHBondContact O-CD1 3.37Å; A147-L244 HydrophobicContact CB-CD1 4.02Å; H240-L244 WeakPolarHBondContact O-CB 3.39Å; H240-L244 PolarHBondContact O-N 3Å; V241-L244 WeakPolarHBondContact O-CB 3.34Å; V241-L244 PolarHBondContact O-N 2.89Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 2.79Å; L244-D246 VanDerWaalsContact C-N 3.34Å; L244-D246 PolarHBondContact O-N 2.95Å; L244-L247 WeakPolarHBondContact O-CB 3.28Å; L244-L247 PolarHBondContact O-N 2.86Å; L244-L247 VanDerWaalsContact O-N 3.12Å; L244-Q248 WeakPolarHBondContact O-CG 3.29Å; L244-Q248 PolarHBondContact O-N 2.9Å
245	Q	96.8	Very high	97.4	Very high	103 Å²	103	71.5 Å²	71.5	48%	0.481	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-40.8	175.9	-69.4	172.6	-7.5	0	0	112.8	V241 K242 L247 K249	V241-Q245 WeakPolarHBondContact O-CG 3.4Å; V241-Q245 PolarHBondContact O-N 2.83Å; V241-Q245 VanDerWaalsContact O-N 3.07Å; K242-Q245 PolarHBondContact O-N 2.85Å; Q245-L247 VanDerWaalsContact C-N 3.3Å; Q245-K249 VanDerWaalsContact O-CE 3.25Å; Q245-K249 WeakPolarHBondContact O-CE 3.16Å; Q245-K249 WeakPolarHBondContact O-CG 3.38Å
246	D	97.4	Very high	97.4	Very high	59 Å²	59	71.3 Å²	71.3	32%	0.316	36%	0.359	S	S	.	.	H	α-helix	trans	-76.2	-17.7	177.5	-74.9	-23.2	0	0	0	113.4	K242 Q243 L244 K249 K250	K242-D246 PolarHBondContact O-N 3.23Å; Q243-D246 PolarHBondContact O-N 3.2Å; L244-D246 VanDerWaalsContact C-N 3.34Å; L244-D246 PolarHBondContact O-N 2.95Å; D246-K249 IonicContact OD1-NZ 2.7Å; D246-K249 PolarHBondContact OD1-NZ 2.96Å; D246-K250 WeakPolarHBondContact O-CD 3.33Å; D246-K250 WeakPolarHBondContact O-CE 3.22Å
247	L	96.6	Very high	97.5	Very high	26 Å²	26	70.2 Å²	70.2	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-82.7	-44	172.9	-177.7	57.8	0	0	0	111.7	K123 A147 Q243 L244 Q245 K249 K250 L251	K123-L247 HydrophobicContact CB-CD1 4.14Å; K123-L247 HydrophobicContact CB-CD2 4.45Å; K123-L247 HydrophobicContact CD-CD1 4.17Å; A147-L247 WeakPolarHBondContact O-CD2 3.36Å; Q243-L247 VanDerWaalsContact O-CB 3.28Å; Q243-L247 WeakPolarHBondContact O-CB 3.47Å; Q243-L247 PolarHBondContact O-N 3.46Å; L244-L247 WeakPolarHBondContact O-CB 3.28Å; L244-L247 PolarHBondContact O-N 2.86Å; L244-L247 VanDerWaalsContact O-N 3.12Å; Q245-L247 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 3.39Å; L247-K250 CarbonylContact O-C 3.26Å; L247-K250 WeakPolarHBondContact O-CA 3.32Å; L247-K250 WeakPolarHBondContact O-CB 3.4Å; L247-K250 PolarHBondContact O-N 3.05Å; L247-L251 HydrophobicContact CD1-CD2 4.13Å; L247-L251 HydrophobicContact CG-CD2 4.15Å; L247-L251 HydrophobicContact CG-CG 4.48Å; L247-L251 PolarHBondContact O-N 3.15Å; L247-L251 VanDerWaalsContact O-N 3.16Å
248	Q	96.5	Very high	97.6	Very high	48 Å²	48	68.1 Å²	68.1	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-54.5	-38.7	178.4	-74.8	-170.8	-95.2	0	0	112.5	K146 L244 K250 L251	K146-Q248 VanDerWaalsContact CE-CD 3.43Å; K146-Q248 HydrophobicContact CG-CG 4.2Å; L244-Q248 WeakPolarHBondContact O-CG 3.29Å; L244-Q248 PolarHBondContact O-N 2.9Å; Q248-K250 PolarHBondContact O-N 2.86Å; Q248-L251 PolarHBondContact O-N 3.5Å
249	K	96.4	Very high	97.7	Very high	149 Å²	149	63.2 Å²	63.2	65%	0.648	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.1	174.6	-60.3	164.5	-161.7	163.8	0	114.6	Q245 D246 L247	Q245-K249 VanDerWaalsContact O-CE 3.25Å; Q245-K249 WeakPolarHBondContact O-CE 3.16Å; Q245-K249 WeakPolarHBondContact O-CG 3.38Å; D246-K249 IonicContact OD1-NZ 2.7Å; D246-K249 PolarHBondContact OD1-NZ 2.96Å; L247-K249 PolarHBondContact O-N 3.39Å
250	K	96.7	Very high	97.5	Very high	149 Å²	149	55 Å²	55	65%	0.648	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	1.8	-174.6	-56	171.8	-172.4	163.8	0	112.6	K123 D246 L247 Q248	K123-K250 PolarHBondContact NZ-O 2.86Å; D246-K250 WeakPolarHBondContact O-CD 3.33Å; D246-K250 WeakPolarHBondContact O-CE 3.22Å; L247-K250 CarbonylContact O-C 3.26Å; L247-K250 WeakPolarHBondContact O-CA 3.32Å; L247-K250 WeakPolarHBondContact O-CB 3.4Å; L247-K250 PolarHBondContact O-N 3.05Å; Q248-K250 PolarHBondContact O-N 2.86Å
251	L	97.7	Very high	96.9	Very high	21 Å²	21	55 Å²	55	11%	0.11	27%	0.269	C	S	.	.			trans	-76.9	141.7	168.6	-61.9	-176.1	0	0	0	108.4	T73 K123 A145 L247 Q248 D255	T73-L251 HydrophobicContact CG2-CB 4Å; K123-L251 HydrophobicContact CD-CD2 3.81Å; K123-L251 HydrophobicContact CG-CD2 4.29Å; A145-L251 WeakPolarHBondContact O-CD1 3.32Å; L247-L251 HydrophobicContact CD1-CD2 4.13Å; L247-L251 HydrophobicContact CG-CD2 4.15Å; L247-L251 HydrophobicContact CG-CG 4.48Å; L247-L251 PolarHBondContact O-N 3.15Å; L247-L251 VanDerWaalsContact O-N 3.16Å; Q248-L251 PolarHBondContact O-N 3.5Å; L251-D255 VanDerWaalsContact CA-OD2 3.29Å; L251-D255 WeakPolarHBondContact CA-OD2 3.27Å
252	S	97.8	Very high	95.7	Very high	45 Å²	45	52.4 Å²	52.4	32%	0.315	25%	0.253	S	S	.	.			trans	-106.9	148.8	172.2	-178.8	0	0	0	0	108.6	D254 D255 H276	S252-D254 PolarHBondContact O-N 2.89Å; S252-D254 PolarHBondContact OG-N 3.19Å; S252-D255 PolarHBondContact N-OD2 2.91Å; S252-D255 WeakPolarHBondContact O-CB 3.38Å; S252-D255 PolarHBondContact O-N 3.23Å; S252-H276 PolarHBondContact O-CD2 3.25Å; S252-H276 VanDerWaalsContact O-CD2 3.3Å
253	F	98	Very high	93.8	Very high	67 Å²	67	50.8 Å²	50.8	29%	0.294	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.5	169.1	54.8	-102.6	0	0	0	112.5	H71 H276 H277	H71-F253 HydrophobicContact CB-CD1 3.74Å; H71-F253 HydrophobicContact CB-CE1 3.83Å; H71-F253 HydrophobicContact CB-CG 4.44Å; H71-F253 VanDerWaalsContact O-CD1 3.24Å; H71-F253 WeakPolarHBondContact O-CD1 3.45Å; F253-H276 WeakPolarHBondContact O-CB 3.44Å; F253-H276 PolarHBondContact O-N 3.43Å; F253-H277 HydrophobicContact CB-CB 4.19Å; F253-H277 HydrophobicContact CD2-CB 3.83Å; F253-H277 AromaticContact CD2-CG 3.96Å; F253-H277 AromaticContact CD2-ND1 3.82Å; F253-H277 HydrophobicContact CG-CB 4.45Å; F253-H277 WeakPolarHBondContact O-CB 3.29Å; F253-H277 PolarHBondContact O-N 3.12Å
254	D	98	Very high	91.3	Very high	87 Å²	87	48 Å²	48	47%	0.465	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.6	175.2	-65	-41.5	0	0	0	114	S252	S252-D254 PolarHBondContact O-N 2.89Å; S252-D254 PolarHBondContact OG-N 3.19Å
255	D	98.5	Very high	88.6	Confident	26 Å²	26	50.2 Å²	50.2	14%	0.139	27%	0.267	C	S	.	.	S	Bend	trans	-62	136.1	177.3	-76.9	-42.2	0	0	0	110.8	K123 L251 S252 I257 S275 H276	K123-D255 WeakPolarHBondContact CE-OD1 3.29Å; K123-D255 WeakPolarHBondContact CE-OD2 3.42Å; K123-D255 IonicContact NZ-OD1 3.19Å; K123-D255 PolarHBondContact NZ-OD1 3.35Å; K123-D255 IonicContact NZ-OD2 3.48Å; K123-D255 PolarHBondContact NZ-OD2 3.02Å; L251-D255 VanDerWaalsContact CA-OD2 3.29Å; L251-D255 WeakPolarHBondContact CA-OD2 3.27Å; S252-D255 PolarHBondContact N-OD2 2.91Å; S252-D255 WeakPolarHBondContact O-CB 3.38Å; S252-D255 PolarHBondContact O-N 3.23Å; D255-I257 PolarHBondContact O-N 2.99Å; D255-S275 WeakPolarHBondContact O-CA 3.41Å; D255-S275 WeakPolarHBondContact O-CB 3.49Å; D255-H276 PolarHBondContact O-N 3.36Å
256	P	98.4	Very high	86.1	Confident	39 Å²	39	50.4 Å²	50.4	25%	0.253	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133	170.8	28.5	-34	0	0	0	109.7	I150 T273 L467	I150-P256 HydrophobicContact CD1-CB 4.14Å; I150-P256 HydrophobicContact CD1-CG 3.94Å; I150-P256 WeakPolarHBondContact CG1-O 3.31Å; P256-T273 HydrophobicContact CB-CG2 3.58Å; P256-L467 HydrophobicContact CB-CD1 3.98Å
257	I	98.1	Very high	84.1	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	-9.4	177.5	45.2	57.7	0	0	0	114.7	A145 Q151 D255 L274 H276 I279	A145-I257 HydrophobicContact CB-CG2 4.47Å; Q151-I257 PolarHBondContact N-O 3.45Å; D255-I257 PolarHBondContact O-N 2.99Å; I257-L274 PolarHBondContact N-O 3.14Å; I257-H276 HydrophobicContact CG1-CB 4.41Å; I257-H276 VanDerWaalsContact CG2-CE1 3.48Å; I257-H276 WeakPolarHBondContact CG2-CE1 3.08Å; I257-H276 VanDerWaalsContact CG2-NE2 3.35Å; I257-H276 WeakPolarHBondContact CG2-NE2 3.23Å; I257-I279 HydrophobicContact CD1-CD1 3.43Å; I257-I279 VanDerWaalsContact CD1-CD1 3.43Å; I257-I279 HydrophobicContact CD1-CG1 4.25Å
258	N	98.4	Very high	82.6	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.032	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.3	177.2	-177.3	-134.6	0	0	0	111.5	Q151 S153 Q260 L274	Q151-N258 CarbonylContact O-C 3.57Å; Q151-N258 VanDerWaalsContact O-CA 3.29Å; Q151-N258 WeakPolarHBondContact O-CA 3.38Å; Q151-N258 PolarHBondContact O-ND2 3.2Å; S153-N258 PolarHBondContact OG-ND2 3.23Å; N258-Q260 WeakPolarHBondContact OD1-CG 3.4Å; N258-Q260 PolarHBondContact OD1-NE2 2.82Å; N258-L274 HydrophobicContact CB-CB 4.5Å; N258-L274 PolarHBondContact N-O 2.64Å; N258-L274 PolarHBondContact O-N 2.92Å
259	I	98.5	Very high	81.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.2	167.5	-63.4	165.9	0	0	0	108.2	R126 I150 Q151 V152 S153 V170 A272 T273 W470	R126-I259 HydrophobicContact CG-CD1 4.09Å; I150-I259 HydrophobicContact CG2-CD1 3.76Å; I150-I259 HydrophobicContact CG2-CG1 3.72Å; Q151-I259 PolarHBondContact O-N 2.96Å; V152-I259 WeakPolarHBondContact CA-O 3.3Å; V152-I259 HydrophobicContact CG2-CB 4.26Å; V152-I259 HydrophobicContact CG2-CD1 4.28Å; S153-I259 PolarHBondContact N-O 2.88Å; V170-I259 HydrophobicContact CB-CD1 4.36Å; V170-I259 HydrophobicContact CG1-CD1 4.22Å; V170-I259 HydrophobicContact CG1-CG2 4.12Å; I259-A272 WeakPolarHBondContact CA-O 3.29Å; I259-T273 HydrophobicContact CG1-CG2 4.2Å; I259-W470 HydrophobicContact CD1-CB 4.26Å; I259-W470 HydrophobicContact CD1-CD2 3.66Å; I259-W470 HydrophobicContact CD1-CE3 3.53Å; I259-W470 HydrophobicContact CD1-CG 4Å; I259-W470 HydrophobicContact CD1-CZ3 4.12Å; I259-W470 HydrophobicContact CG1-CE3 4.36Å
260	Q	94.3	Very high	81.2	Confident	3 Å²	3	45.8 Å²	45.8	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130	176.1	-70.2	-173.2	41	0	0	111.5	N258 T262 G271 A272 T408	N258-Q260 WeakPolarHBondContact OD1-CG 3.4Å; N258-Q260 PolarHBondContact OD1-NE2 2.82Å; Q260-T262 PolarHBondContact O-N 3.22Å; Q260-G271 WeakPolarHBondContact O-CA 3.27Å; Q260-A272 PolarHBondContact N-O 3.06Å; Q260-A272 PolarHBondContact O-N 3.1Å; Q260-T408 HydrophobicContact CB-CG2 3.45Å; Q260-T408 VanDerWaalsContact CB-CG2 3.45Å; Q260-T408 HydrophobicContact CG-CG2 4.27Å
261	F	85.5	Confident	81	Confident	28 Å²	28	38.8 Å²	38.8	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.2	175.6	-78	-75.7	0	0	0	111.8	V152 A166 K169 V170 P269 K270	V152-F261 HydrophobicContact CG1-CD2 4.22Å; V152-F261 HydrophobicContact CG1-CE2 3.62Å; A166-F261 HydrophobicContact CB-CD2 4.17Å; A166-F261 HydrophobicContact CB-CE1 4.35Å; A166-F261 HydrophobicContact CB-CE2 3.61Å; A166-F261 HydrophobicContact CB-CZ 3.7Å; A166-F261 WeakPolarHBondContact O-CZ 3.46Å; K169-F261 HydrophobicContact CG-CE1 4.44Å; V170-F261 HydrophobicContact CG1-CE2 4.45Å; V170-F261 HydrophobicContact CG1-CZ 3.81Å; F261-P269 HydrophobicContact CB-CB 4.21Å; F261-P269 HydrophobicContact CD1-CB 3.71Å; F261-P269 HydrophobicContact CG-CB 4.34Å; F261-K270 WeakPolarHBondContact CA-O 3.28Å
262	T	73.8	Confident	81	Confident	12 Å²	12	37.8 Å²	37.8	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.3	174.2	59.2	0	0	0	0	110.2	Q260 G264 P269 K270 A272 T408	Q260-T262 PolarHBondContact O-N 3.22Å; T262-G264 VanDerWaalsContact C-N 3.33Å; T262-G264 PolarHBondContact O-N 3.4Å; T262-P269 WeakPolarHBondContact O-CA 3.44Å; T262-K270 PolarHBondContact N-O 2.86Å; T262-K270 PolarHBondContact O-N 3.08Å; T262-K270 PolarHBondContact OG1-O 3.38Å; T262-A272 HydrophobicContact CG2-CB 4.1Å; T262-T408 HydrophobicContact CG2-CG2 3.86Å
263	S	56.7	Low	81	Confident	97 Å²	97	35.7 Å²	35.7	68%	0.678	23%	0.23	S	C	*	.			trans	-74.9	87.5	171.2	58.4	0	0	0	0	109.3	T265	S263-T265 PolarHBondContact O-N 2.64Å
264	G	46	Very low	81	Confident	28 Å²	28	32.5 Å²	32.5	29%	0.289	22%	0.216	S	C	.	.			trans	-60.3	126.5	173	0	0	0	0	0	110.5	T262 T266	T262-G264 VanDerWaalsContact C-N 3.33Å; T262-G264 PolarHBondContact O-N 3.4Å; G264-T266 PolarHBondContact O-N 3.12Å
265	T	41.2	Very low	81.1	Confident	54 Å²	54	28.4 Å²	28.4	33%	0.331	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	1.6	-175.4	55.6	0	0	0	0	115	S263 K507	S263-T265 PolarHBondContact O-N 2.64Å; T265-K507 WeakPolarHBondContact OG1-CD 3.38Å; T265-K507 PolarHBondContact OG1-NZ 3.39Å
266	T	43.2	Very low	81.1	Confident	107 Å²	107	27.2 Å²	27.2	66%	0.656	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-151	22.3	-173.7	59	0	0	0	0	112.9	G264 K507	G264-T266 PolarHBondContact O-N 3.12Å; T266-K507 HydrophobicContact CG2-CD 4.02Å; T266-K507 PolarHBondContact OG1-NZ 3.2Å
267	G	55.9	Low	81.1	Confident	54 Å²	54	26.8 Å²	26.8	56%	0.557	18%	0.182	S	C	*	.	S	Bend	trans	178.3	-178.3	-174.9	0	0	0	0	0	114.7
268	A	64.3	Low	81.1	Confident	56 Å²	56	26.8 Å²	26.8	46%	0.463	18%	0.183	S	C	.	.	S	Bend	trans	-60.9	152.5	179.8	0	0	0	0	0	112.5	Y165 K270	Y165-A268 HydrophobicContact CE1-CB 4.13Å; Y165-A268 HydrophobicContact CE2-CB 4.14Å; Y165-A268 WeakPolarHBondContact OH-CB 3.3Å; A268-K270 PolarHBondContact O-N 2.77Å
269	P	76.5	Confident	81.1	Confident	32 Å²	32	26.7 Å²	26.7	21%	0.208	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-60.8	132.4	-178.5	-24.5	34.8	0	0	0	113.1	Y158 Y165 F261 T262	Y158-P269 WeakPolarHBondContact OH-CG 3.46Å; Y165-P269 WeakPolarHBondContact CE1-O 3.48Å; F261-P269 HydrophobicContact CB-CB 4.21Å; F261-P269 HydrophobicContact CD1-CB 3.71Å; F261-P269 HydrophobicContact CG-CB 4.34Å; T262-P269 WeakPolarHBondContact O-CA 3.44Å
270	K	86.8	Confident	81.2	Confident	43 Å²	43	26.7 Å²	26.7	19%	0.187	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.4	179.1	-51.9	179.1	-68.1	172.2	0	110.2	F261 T262 A268 A272 Y469 E472	F261-K270 WeakPolarHBondContact CA-O 3.28Å; T262-K270 PolarHBondContact N-O 2.86Å; T262-K270 PolarHBondContact O-N 3.08Å; T262-K270 PolarHBondContact OG1-O 3.38Å; A268-K270 PolarHBondContact O-N 2.77Å; K270-A272 PolarHBondContact O-N 3.34Å; K270-Y469 HydrophobicContact CB-CD1 3.66Å; K270-Y469 HydrophobicContact CB-CE1 4.01Å; K270-Y469 HydrophobicContact CB-CG 4.1Å; K270-Y469 HydrophobicContact CD-CD1 4.33Å; K270-Y469 HydrophobicContact CD-CD2 4.14Å; K270-Y469 HydrophobicContact CD-CE1 4.3Å; K270-Y469 HydrophobicContact CD-CE2 4.1Å; K270-Y469 HydrophobicContact CD-CG 4.26Å; K270-Y469 PolarHBondContact NZ-OH 3.07Å; K270-E472 WeakPolarHBondContact CG-OE2 3.41Å
271	G	94	Very high	81.4	Confident	2 Å²	2	26.6 Å²	26.6	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	101.4	176.1	0	0	0	0	0	111	Q260 Y469 W470	Q260-G271 WeakPolarHBondContact O-CA 3.27Å; G271-Y469 CarbonylContact O-C 3.49Å; G271-Y469 VanDerWaalsContact O-CA 3.32Å; G271-Y469 WeakPolarHBondContact O-CA 3.43Å; G271-W470 PolarHBondContact O-N 3.45Å
272	A	96.7	Very high	82	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.2	173.5	0	0	0	0	0	110	I259 Q260 T262 K270 T408 E409 M466 Y469	I259-A272 WeakPolarHBondContact CA-O 3.29Å; Q260-A272 PolarHBondContact N-O 3.06Å; Q260-A272 PolarHBondContact O-N 3.1Å; T262-A272 HydrophobicContact CG2-CB 4.1Å; K270-A272 PolarHBondContact O-N 3.34Å; A272-T408 HydrophobicContact CB-CG2 4.04Å; A272-E409 HydrophobicContact CB-CG 4.12Å; A272-M466 HydrophobicContact CB-SD 3.72Å; A272-Y469 HydrophobicContact CB-CD1 4.16Å; A272-Y469 HydrophobicContact CB-CE1 4.11Å
273	T	98.6	Very high	83.2	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.5	-173.1	-52.2	0	0	0	0	111.2	P256 I259 M466 L467 E468 W470	P256-T273 HydrophobicContact CB-CG2 3.58Å; I259-T273 HydrophobicContact CG1-CG2 4.2Å; T273-M466 WeakPolarHBondContact O-CB 3.42Å; T273-L467 HydrophobicContact CG2-CD1 4.36Å; T273-L467 PolarHBondContact O-N 3.15Å; T273-E468 PolarHBondContact N-O 3.17Å; T273-E468 PolarHBondContact OG1-O 3.32Å; T273-W470 HydrophobicContact CG2-CE3 4.25Å
274	L	98.7	Very high	85.2	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.5	-177.2	-49.8	-175.8	0	0	0	111.4	I257 N258 N278 I279 S411 M466	I257-L274 PolarHBondContact N-O 3.14Å; N258-L274 HydrophobicContact CB-CB 4.5Å; N258-L274 PolarHBondContact N-O 2.64Å; N258-L274 PolarHBondContact O-N 2.92Å; L274-N278 WeakPolarHBondContact CA-OD1 3.34Å; L274-N278 HydrophobicContact CB-CB 4.43Å; L274-I279 HydrophobicContact CB-CG2 3.92Å; L274-I279 HydrophobicContact CD1-CG2 3.75Å; L274-I279 HydrophobicContact CG-CG2 4.48Å; L274-S411 WeakPolarHBondContact CD2-OG 3.08Å; L274-M466 HydrophobicContact CD2-CB 3.54Å
275	S	98.8	Very high	87.7	Confident	1 Å²	1	21 Å²	21	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	171.3	173.1	72.6	0	0	0	0	113.1	D255 H277 N278 I279	D255-S275 WeakPolarHBondContact O-CA 3.41Å; D255-S275 WeakPolarHBondContact O-CB 3.49Å; S275-H277 VanDerWaalsContact C-N 3.3Å; S275-H277 PolarHBondContact O-N 2.79Å; S275-H277 PolarHBondContact OG-N 2.8Å; S275-N278 PolarHBondContact N-OD1 2.79Å; S275-N278 PolarHBondContact O-N 3.46Å; S275-N278 VanDerWaalsContact OG-CG 3.25Å; S275-N278 PolarHBondContact OG-N 2.8Å; S275-N278 VanDerWaalsContact OG-N 3.1Å; S275-N278 PolarHBondContact OG-OD1 2.83Å; S275-I279 PolarHBondContact O-N 2.82Å
276	H	98.8	Very high	90.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-45.6	169.2	-58.8	-86.5	0	0	0	110.9	V74 S252 F253 D255 I257 N278 I279 I280	V74-H276 HydrophobicContact CG2-CB 4.5Å; V74-H276 WeakPolarHBondContact CG2-ND1 3.25Å; V74-H276 PolarHBondContact N-ND1 3.19Å; V74-H276 VanDerWaalsContact N-ND1 3.11Å; S252-H276 PolarHBondContact O-CD2 3.25Å; S252-H276 VanDerWaalsContact O-CD2 3.3Å; F253-H276 WeakPolarHBondContact O-CB 3.44Å; F253-H276 PolarHBondContact O-N 3.43Å; D255-H276 PolarHBondContact O-N 3.36Å; I257-H276 HydrophobicContact CG1-CB 4.41Å; I257-H276 VanDerWaalsContact CG2-CE1 3.48Å; I257-H276 WeakPolarHBondContact CG2-CE1 3.08Å; I257-H276 VanDerWaalsContact CG2-NE2 3.35Å; I257-H276 WeakPolarHBondContact CG2-NE2 3.23Å; H276-N278 VanDerWaalsContact C-N 3.3Å; H276-N278 PolarHBondContact O-N 3.05Å; H276-I279 PolarHBondContact O-N 2.79Å; H276-I280 HydrophobicContact CB-CD1 3.98Å; H276-I280 VanDerWaalsContact O-CB 3.3Å; H276-I280 WeakPolarHBondContact O-CB 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.41Å; H276-I280 PolarHBondContact O-N 3.26Å
277	H	98.8	Very high	93	Very high	30 Å²	30	13.7 Å²	13.7	14%	0.139	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-39.6	-178.5	-172.1	77.1	0	0	0	112.3	L70 F253 S275 N281	L70-H277 PolarHBondContact O-CE1 2.78Å; L70-H277 PolarHBondContact O-ND1 3.35Å; L70-H277 VanDerWaalsContact O-ND1 3.14Å; F253-H277 HydrophobicContact CB-CB 4.19Å; F253-H277 HydrophobicContact CD2-CB 3.83Å; F253-H277 AromaticContact CD2-CG 3.96Å; F253-H277 AromaticContact CD2-ND1 3.82Å; F253-H277 HydrophobicContact CG-CB 4.45Å; F253-H277 WeakPolarHBondContact O-CB 3.29Å; F253-H277 PolarHBondContact O-N 3.12Å; S275-H277 VanDerWaalsContact C-N 3.3Å; S275-H277 PolarHBondContact O-N 2.79Å; S275-H277 PolarHBondContact OG-N 2.8Å; H277-N281 PolarHBondContact CE1-ND2 2.72Å; H277-N281 PolarHBondContact ND1-ND2 2.81Å; H277-N281 WeakPolarHBondContact O-CB 3.3Å; H277-N281 PolarHBondContact O-N 2.87Å; H277-N281 PolarHBondContact O-ND2 2.9Å
278	N	98.6	Very high	94.9	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.043	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-55.4	174.8	-64.5	147.5	0	0	0	111.3	L274 S275 H276 N282 S411 Y463 V465	L274-N278 WeakPolarHBondContact CA-OD1 3.34Å; L274-N278 HydrophobicContact CB-CB 4.43Å; S275-N278 PolarHBondContact N-OD1 2.79Å; S275-N278 PolarHBondContact O-N 3.46Å; S275-N278 VanDerWaalsContact OG-CG 3.25Å; S275-N278 PolarHBondContact OG-N 2.8Å; S275-N278 VanDerWaalsContact OG-N 3.1Å; S275-N278 PolarHBondContact OG-OD1 2.83Å; H276-N278 VanDerWaalsContact C-N 3.3Å; H276-N278 PolarHBondContact O-N 3.05Å; N278-N282 WeakPolarHBondContact O-CB 3.44Å; N278-N282 PolarHBondContact O-N 3.11Å; N278-S411 WeakPolarHBondContact CB-OG 3.39Å; N278-Y463 WeakPolarHBondContact CA-O 3.35Å; N278-Y463 PolarHBondContact ND2-O 2.87Å; N278-V465 PolarHBondContact ND2-O 2.83Å
279	I	98.6	Very high	96.5	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-83.4	-32.9	-167.8	69.4	-179.6	0	0	0	113.6	V74 I257 L274 S275 H276 A283 V313 I317	V74-I279 HydrophobicContact CG2-CD1 4.13Å; V74-I279 HydrophobicContact CG2-CG1 4.42Å; I257-I279 HydrophobicContact CD1-CD1 3.43Å; I257-I279 VanDerWaalsContact CD1-CD1 3.43Å; I257-I279 HydrophobicContact CD1-CG1 4.25Å; L274-I279 HydrophobicContact CB-CG2 3.92Å; L274-I279 HydrophobicContact CD1-CG2 3.75Å; L274-I279 HydrophobicContact CG-CG2 4.48Å; S275-I279 PolarHBondContact O-N 2.82Å; H276-I279 PolarHBondContact O-N 2.79Å; I279-A283 VanDerWaalsContact O-CB 3.31Å; I279-A283 WeakPolarHBondContact O-CB 3.18Å; I279-A283 PolarHBondContact O-N 2.96Å; I279-V313 HydrophobicContact CB-CB 4.48Å; I279-V313 HydrophobicContact CB-CG1 3.81Å; I279-V313 HydrophobicContact CB-CG2 3.84Å; I279-V313 HydrophobicContact CG2-CG1 4.4Å; I279-V313 HydrophobicContact CG2-CG2 3.7Å; I279-V313 WeakPolarHBondContact O-CG1 3.27Å; I279-I317 HydrophobicContact CB-CG1 4.5Å; I279-I317 HydrophobicContact CD1-CD1 3.95Å; I279-I317 HydrophobicContact CD1-CG1 3.8Å; I279-I317 HydrophobicContact CG1-CG1 4.1Å; I279-I317 HydrophobicContact CG1-CG2 4.5Å
280	I	98.7	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-68.4	-47.4	178.1	-72.4	167.3	0	0	0	110.7	L70 D72 T73 V74 A77 H276 N282 A283 Y284 I317 V321	L70-I280 HydrophobicContact CB-CG2 4.1Å; L70-I280 HydrophobicContact CD1-CG2 3.89Å; D72-I280 WeakPolarHBondContact O-CD1 3.41Å; T73-I280 VanDerWaalsContact C-CD1 3.41Å; V74-I280 HydrophobicContact CB-CD1 4.49Å; V74-I280 HydrophobicContact CG2-CD1 3.84Å; V74-I280 HydrophobicContact CG2-CG1 4.01Å; A77-I280 HydrophobicContact CB-CD1 4.5Å; H276-I280 HydrophobicContact CB-CD1 3.98Å; H276-I280 VanDerWaalsContact O-CB 3.3Å; H276-I280 WeakPolarHBondContact O-CB 3.35Å; H276-I280 WeakPolarHBondContact O-CG1 3.41Å; H276-I280 PolarHBondContact O-N 3.26Å; I280-N282 VanDerWaalsContact C-N 3.33Å; I280-N282 PolarHBondContact O-N 3.21Å; I280-A283 PolarHBondContact O-N 3.05Å; I280-Y284 VanDerWaalsContact O-CB 3.28Å; I280-Y284 WeakPolarHBondContact O-CB 3.29Å; I280-Y284 PolarHBondContact O-N 3.07Å; I280-I317 HydrophobicContact CG1-CG2 3.92Å; I280-V321 HydrophobicContact CG2-CG2 4.07Å
281	N	98.8	Very high	97.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.5	-40.3	178.2	-76.5	-74.4	0	0	0	111.1	L69 L70 H277 Y284 F285 Y463	L69-N281 WeakPolarHBondContact CA-OD1 3.35Å; L69-N281 HydrophobicContact CD2-CB 4.39Å; L70-N281 PolarHBondContact N-OD1 3.35Å; L70-N281 PolarHBondContact O-ND2 3.5Å; H277-N281 PolarHBondContact CE1-ND2 2.72Å; H277-N281 PolarHBondContact ND1-ND2 2.81Å; H277-N281 WeakPolarHBondContact O-CB 3.3Å; H277-N281 PolarHBondContact O-N 2.87Å; H277-N281 PolarHBondContact O-ND2 2.9Å; N281-Y284 PolarHBondContact O-N 3.05Å; N281-F285 HydrophobicContact CB-CD2 4.26Å; N281-F285 HydrophobicContact CB-CE2 4.19Å; N281-F285 WeakPolarHBondContact O-CD2 3.26Å; N281-F285 PolarHBondContact O-N 3.24Å; N281-Y463 HydrophobicContact CB-CD1 4.42Å; N281-Y463 HydrophobicContact CB-CD2 3.37Å; N281-Y463 HydrophobicContact CB-CE1 4.32Å; N281-Y463 HydrophobicContact CB-CE2 3.33Å; N281-Y463 HydrophobicContact CB-CG 3.98Å
282	N	98.6	Very high	97.8	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.011	3%	0.031	C	C	.	.	H	α-helix	trans	-61.8	-50.3	178.1	-155.9	-91.4	0	0	0	111.2	N278 I280 Y284 F285 V286 N410 S411 P412 V413 Y463	N278-N282 WeakPolarHBondContact O-CB 3.44Å; N278-N282 PolarHBondContact O-N 3.11Å; I280-N282 VanDerWaalsContact C-N 3.33Å; I280-N282 PolarHBondContact O-N 3.21Å; N282-Y284 VanDerWaalsContact C-N 3.3Å; N282-Y284 PolarHBondContact O-N 3.48Å; N282-F285 PolarHBondContact O-N 3.26Å; N282-V286 VanDerWaalsContact O-CB 3.24Å; N282-V286 WeakPolarHBondContact O-CB 3.4Å; N282-V286 WeakPolarHBondContact O-CG2 3.1Å; N282-V286 PolarHBondContact O-N 3.04Å; N282-N410 PolarHBondContact ND2-O 2.89Å; N282-S411 WeakPolarHBondContact CB-O 3.24Å; N282-S411 PolarHBondContact OD1-O 3.14Å; N282-P412 VanDerWaalsContact OD1-CD 3.26Å; N282-P412 WeakPolarHBondContact OD1-CD 3.33Å; N282-V413 PolarHBondContact ND2-O 2.81Å; N282-V413 PolarHBondContact OD1-N 3.14Å; N282-Y463 HydrophobicContact CB-CE2 4.2Å
283	A	98.5	Very high	97.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-60.3	-38.2	175.7	0	0	0	0	0	112.8	I279 I280 G287 V313 I317 A318 H322	I279-A283 VanDerWaalsContact O-CB 3.31Å; I279-A283 WeakPolarHBondContact O-CB 3.18Å; I279-A283 PolarHBondContact O-N 2.96Å; I280-A283 PolarHBondContact O-N 3.05Å; A283-G287 PolarHBondContact O-N 3.09Å; A283-V313 HydrophobicContact CB-CG1 4.13Å; A283-I317 HydrophobicContact CB-CB 3.96Å; A283-I317 HydrophobicContact CB-CG2 3.71Å; A283-A318 HydrophobicContact CB-CB 4.18Å; A283-H322 PolarHBondContact O-NE2 3.38Å; A283-H322 VanDerWaalsContact O-NE2 3.14Å
284	Y	98.6	Very high	97.2	Very high	46 Å²	46	18.2 Å²	18.2	18%	0.18	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-57.5	175.9	-176.2	-106.4	0	0	0	111.6	T67 L70 I280 N281 N282 G287 K288 V321 H322	T67-Y284 HydrophobicContact CG2-CE1 3.71Å; L70-Y284 HydrophobicContact CD1-CD1 4.29Å; L70-Y284 HydrophobicContact CD1-CD2 3.74Å; L70-Y284 HydrophobicContact CD1-CE2 4.36Å; L70-Y284 HydrophobicContact CD1-CG 3.68Å; L70-Y284 HydrophobicContact CG-CD1 4.42Å; L70-Y284 HydrophobicContact CG-CG 4.29Å; I280-Y284 VanDerWaalsContact O-CB 3.28Å; I280-Y284 WeakPolarHBondContact O-CB 3.29Å; I280-Y284 PolarHBondContact O-N 3.07Å; N281-Y284 PolarHBondContact O-N 3.05Å; N282-Y284 VanDerWaalsContact C-N 3.3Å; N282-Y284 PolarHBondContact O-N 3.48Å; Y284-G287 PolarHBondContact O-N 3.22Å; Y284-K288 HydrophobicContact CE1-CD 4.34Å; Y284-K288 WeakPolarHBondContact O-CB 3.46Å; Y284-K288 PolarHBondContact O-N 3.2Å; Y284-V321 HydrophobicContact CD2-CG1 3.57Å; Y284-V321 HydrophobicContact CG-CG1 4.19Å; Y284-H322 WeakPolarHBondContact CA-NE2 3.23Å; Y284-H322 AromaticContact CD2-CE1 3.79Å; Y284-H322 PolarHBondContact O-CE1 3.39Å; Y284-H322 VanDerWaalsContact O-CE1 3.26Å; Y284-H322 PolarHBondContact O-NE2 3.12Å
285	F	98.4	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-72	-32.9	-175.2	-68.1	-67.3	0	0	0	113.2	L69 N281 N282 K288 R289 D435 H436 Y463	L69-F285 HydrophobicContact CD2-CE2 3.76Å; L69-F285 HydrophobicContact CD2-CZ 4.3Å; N281-F285 HydrophobicContact CB-CD2 4.26Å; N281-F285 HydrophobicContact CB-CE2 4.19Å; N281-F285 WeakPolarHBondContact O-CD2 3.26Å; N281-F285 PolarHBondContact O-N 3.24Å; N282-F285 PolarHBondContact O-N 3.26Å; F285-K288 HydrophobicContact CD1-CD 4.18Å; F285-R289 WeakPolarHBondContact O-CB 3.17Å; F285-R289 PolarHBondContact O-N 2.9Å; F285-D435 HydrophobicContact CB-CB 4.15Å; F285-D435 HydrophobicContact CD1-CB 3.28Å; F285-D435 VanDerWaalsContact CD1-OD1 3.26Å; F285-D435 WeakPolarHBondContact CD1-OD1 3.44Å; F285-D435 HydrophobicContact CD2-CB 4.23Å; F285-D435 HydrophobicContact CE1-CB 3.63Å; F285-D435 HydrophobicContact CG-CB 3.63Å; F285-D435 HydrophobicContact CZ-CB 4.29Å; F285-H436 AromaticContact CE2-CD2 3.88Å; F285-H436 AromaticContact CZ-CD2 3.54Å; F285-H436 AromaticContact CZ-NE2 3.78Å; F285-Y463 HydrophobicContact CD2-CE1 4.22Å; F285-Y463 HydrophobicContact CE2-CE1 4.47Å
286	V	98.1	Very high	95.8	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.036	12%	0.119	C	C	.	.	H	α-helix	trans	-60	-53	169	168.6	0	0	0	0	110.3	N282 K288 R289 V290 L378 V413 L416 L434	N282-V286 VanDerWaalsContact O-CB 3.24Å; N282-V286 WeakPolarHBondContact O-CB 3.4Å; N282-V286 WeakPolarHBondContact O-CG2 3.1Å; N282-V286 PolarHBondContact O-N 3.04Å; V286-K288 PolarHBondContact O-N 3.36Å; V286-R289 PolarHBondContact O-N 2.82Å; V286-R289 VanDerWaalsContact O-N 3.12Å; V286-V290 PolarHBondContact O-N 3.09Å; V286-V290 VanDerWaalsContact O-N 3.07Å; V286-L378 HydrophobicContact CG1-CD2 4.37Å; V286-V413 HydrophobicContact CG2-CB 3.66Å; V286-V413 HydrophobicContact CG2-CG1 4.06Å; V286-V413 HydrophobicContact CG2-CG2 3.77Å; V286-L416 HydrophobicContact CB-CD2 4.13Å; V286-L416 HydrophobicContact CG1-CD2 3.89Å; V286-L416 HydrophobicContact CG2-CD2 4.05Å; V286-L434 HydrophobicContact CG2-CD1 4.06Å; V286-L434 HydrophobicContact CG2-CD2 4.46Å
287	G	97.5	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-40.9	-179.4	0	0	0	0	0	113.3	A283 Y284 R289 V290 G291 Y292 H322	A283-G287 PolarHBondContact O-N 3.09Å; Y284-G287 PolarHBondContact O-N 3.22Å; G287-R289 VanDerWaalsContact C-N 3.33Å; G287-R289 PolarHBondContact O-N 2.93Å; G287-V290 WeakPolarHBondContact O-CG2 3.41Å; G287-V290 PolarHBondContact O-N 3.04Å; G287-G291 PolarHBondContact O-N 3.44Å; G287-Y292 WeakPolarHBondContact O-CB 3.28Å; G287-Y292 PolarHBondContact O-N 3.04Å; G287-H322 WeakPolarHBondContact CA-NE2 3.45Å
288	K	96.8	Very high	95.1	Very high	25 Å²	25	29.4 Å²	29.4	11%	0.109	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-43.4	171.6	178.8	-174.1	163	-162	0	111.3	D48 S65 T67 Y284 F285 V286 G291 T293 W294 D435	D48-K288 IonicContact OD1-NZ 3.61Å; D48-K288 PolarHBondContact OD1-NZ 3.15Å; S65-K288 PolarHBondContact OG-NZ 2.63Å; T67-K288 PolarHBondContact OG1-NZ 3.39Å; Y284-K288 HydrophobicContact CE1-CD 4.34Å; Y284-K288 WeakPolarHBondContact O-CB 3.46Å; Y284-K288 PolarHBondContact O-N 3.2Å; F285-K288 HydrophobicContact CD1-CD 4.18Å; V286-K288 PolarHBondContact O-N 3.36Å; K288-G291 PolarHBondContact O-N 3.4Å; K288-T293 HydrophobicContact CB-CG2 4.31Å; K288-W294 WeakPolarHBondContact O-CH2 3.34Å; K288-W294 WeakPolarHBondContact O-CZ3 3.29Å; K288-D435 IonicContact NZ-OD1 2.64Å; K288-D435 PolarHBondContact NZ-OD1 3.12Å
289	R	96.9	Very high	95	Very high	11 Å²	11	31.1 Å²	31.1	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-70.7	-33.7	-178.3	-171.4	164.4	-61.8	-173.7	2.2	114.2	F285 V286 G287 G291 L416 P419 Y432 I433 D435	F285-R289 WeakPolarHBondContact O-CB 3.17Å; F285-R289 PolarHBondContact O-N 2.9Å; V286-R289 PolarHBondContact O-N 2.82Å; V286-R289 VanDerWaalsContact O-N 3.12Å; G287-R289 VanDerWaalsContact C-N 3.33Å; G287-R289 PolarHBondContact O-N 2.93Å; R289-G291 VanDerWaalsContact C-N 3.32Å; R289-L416 HydrophobicContact CB-CD2 4.03Å; R289-L416 HydrophobicContact CG-CD2 4.23Å; R289-L416 HydrophobicContact CG-CG 4.4Å; R289-L416 PolarHBondContact NH1-O 3.5Å; R289-P419 VanDerWaalsContact O-CD 3.28Å; R289-P419 WeakPolarHBondContact O-CD 3.46Å; R289-Y432 VanDerWaalsContact NH1-CD2 3.28Å; R289-Y432 PolarHBondContact NH1-O 3.24Å; R289-I433 VanDerWaalsContact CZ-O 3.31Å; R289-I433 PolarHBondContact NH1-O 2.93Å; R289-I433 PolarHBondContact NH2-O 3.07Å; R289-D435 IonicContact CZ-OD2 3.63Å; R289-D435 IonicContact NH2-OD2 3.87Å; R289-D435 PolarHBondContact NH2-OD2 2.96Å
290	V	96.3	Very high	95	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-85.1	-7	174.5	-56.2	0	0	0	0	113.7	V286 G287 Y292 K295 T402 L416	V286-V290 PolarHBondContact O-N 3.09Å; V286-V290 VanDerWaalsContact O-N 3.07Å; G287-V290 WeakPolarHBondContact O-CG2 3.41Å; G287-V290 PolarHBondContact O-N 3.04Å; V290-Y292 HydrophobicContact CG2-CD1 3.78Å; V290-Y292 HydrophobicContact CG2-CD2 4.07Å; V290-Y292 HydrophobicContact CG2-CE1 3.44Å; V290-Y292 VanDerWaalsContact CG2-CE1 3.44Å; V290-Y292 HydrophobicContact CG2-CE2 3.77Å; V290-Y292 HydrophobicContact CG2-CG 4.08Å; V290-Y292 VanDerWaalsContact CG2-CZ 3.45Å; V290-K295 PolarHBondContact O-NZ 2.9Å; V290-K295 VanDerWaalsContact O-NZ 3.14Å; V290-T402 HydrophobicContact CG1-CG2 4.33Å; V290-L416 HydrophobicContact CG1-CD2 4.29Å
291	G	94.8	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	16.6	166	0	0	0	0	0	116.7	G287 K288 R289 T293 W294 K295	G287-G291 PolarHBondContact O-N 3.44Å; K288-G291 PolarHBondContact O-N 3.4Å; R289-G291 VanDerWaalsContact C-N 3.32Å; G291-T293 PolarHBondContact O-N 3.41Å; G291-T293 VanDerWaalsContact O-N 3.13Å; G291-W294 PolarHBondContact O-N 2.85Å; G291-K295 WeakPolarHBondContact O-CB 3.35Å; G291-K295 WeakPolarHBondContact O-CG 3.38Å; G291-K295 PolarHBondContact O-N 2.81Å
292	Y	95.1	Very high	95	Very high	12 Å²	12	31 Å²	31	5%	0.047	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20	-178.9	-60.6	-18	0	0	0	113.8	G287 V290 T298 H322 L324 Y349 Y351	G287-Y292 WeakPolarHBondContact O-CB 3.28Å; G287-Y292 PolarHBondContact O-N 3.04Å; V290-Y292 HydrophobicContact CG2-CD1 3.78Å; V290-Y292 HydrophobicContact CG2-CD2 4.07Å; V290-Y292 HydrophobicContact CG2-CE1 3.44Å; V290-Y292 VanDerWaalsContact CG2-CE1 3.44Å; V290-Y292 HydrophobicContact CG2-CE2 3.77Å; V290-Y292 HydrophobicContact CG2-CG 4.08Å; V290-Y292 VanDerWaalsContact CG2-CZ 3.45Å; Y292-T298 HydrophobicContact CD1-CG2 3.77Å; Y292-T298 HydrophobicContact CE1-CG2 3.6Å; Y292-H322 HydrophobicContact CD2-CB 4.38Å; Y292-L324 HydrophobicContact CD1-CD2 4.21Å; Y292-L324 HydrophobicContact CD2-CD1 3.68Å; Y292-L324 HydrophobicContact CD2-CD2 3.65Å; Y292-L324 HydrophobicContact CD2-CG 4.26Å; Y292-L324 HydrophobicContact CE2-CD1 3.47Å; Y292-L324 VanDerWaalsContact CE2-CD1 3.47Å; Y292-L324 HydrophobicContact CE2-CD2 4.14Å; Y292-L324 HydrophobicContact CE2-CG 4.46Å; Y292-L324 HydrophobicContact CG-CD2 3.69Å; Y292-Y349 HydrophobicContact CE1-CD1 4.48Å; Y292-Y349 HydrophobicContact CE1-CD2 4.43Å; Y292-Y349 HydrophobicContact CE1-CG 4.31Å; Y292-Y349 WeakPolarHBondContact OH-CD1 3.3Å; Y292-Y351 VanDerWaalsContact OH-CE1 3.27Å; Y292-Y351 WeakPolarHBondContact OH-CE1 3.08Å; Y292-Y351 PolarHBondContact OH-OH 3.16Å
293	T	91.9	Very high	94.8	Very high	74 Å²	74	31.1 Å²	31.1	45%	0.454	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.2	175.9	52.9	0	0	0	0	114.1	K288 G291	K288-T293 HydrophobicContact CB-CG2 4.31Å; G291-T293 PolarHBondContact O-N 3.41Å; G291-T293 VanDerWaalsContact O-N 3.13Å
294	W	89.1	Confident	94.5	Very high	162 Å²	162	31.1 Å²	31.1	61%	0.614	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.8	-13.5	177.7	62.9	79	0	0	0	114.6	K288 G291	K288-W294 WeakPolarHBondContact O-CH2 3.34Å; K288-W294 WeakPolarHBondContact O-CZ3 3.29Å; G291-W294 PolarHBondContact O-N 2.85Å
295	K	89	Confident	94.1	Very high	27 Å²	27	29.7 Å²	29.7	12%	0.117	15%	0.145	C	C	.	.	S	Bend	trans	-88.1	114.4	173.7	-71.8	176.8	176.7	169.5	0	111	V290 G291 E400	V290-K295 PolarHBondContact O-NZ 2.9Å; V290-K295 VanDerWaalsContact O-NZ 3.14Å; G291-K295 WeakPolarHBondContact O-CB 3.35Å; G291-K295 WeakPolarHBondContact O-CG 3.38Å; G291-K295 PolarHBondContact O-N 2.81Å; K295-E400 WeakPolarHBondContact CE-OE2 3.5Å; K295-E400 IonicContact NZ-OE2 3.63Å; K295-E400 PolarHBondContact NZ-OE2 2.84Å
296	P	81	Confident	94	Very high	103 Å²	103	29.7 Å²	29.7	67%	0.669	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	149.2	178.4	31.6	-36.1	0	0	0	111.2	T298	P296-T298 VanDerWaalsContact C-N 3.34Å; P296-T298 PolarHBondContact O-N 2.88Å
297	H	84.8	Confident	93.7	Very high	129 Å²	129	30.5 Å²	30.5	60%	0.597	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	41	169.4	-54	-71.5	0	0	0	115.9	R299	H297-R299 PolarHBondContact O-N 3.17Å
298	T	96.2	Very high	93.4	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.043	16%	0.157	C	C	.	.			trans	-60.9	120.7	178.1	-65.5	0	0	0	0	111.5	Y292 P296 V300 L324 T325 T348	Y292-T298 HydrophobicContact CD1-CG2 3.77Å; Y292-T298 HydrophobicContact CE1-CG2 3.6Å; P296-T298 VanDerWaalsContact C-N 3.34Å; P296-T298 PolarHBondContact O-N 2.88Å; T298-V300 HydrophobicContact CG2-CG2 3.82Å; T298-L324 HydrophobicContact CG2-CD2 3.94Å; T298-T325 PolarHBondContact O-N 3.04Å; T298-T348 WeakPolarHBondContact CA-OG1 3.39Å
299	R	98.2	Very high	93.3	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.166	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.8	173.5	-62.5	-178.2	71.7	85.1	-13.3	108.8	E89 H297 T325 E345 C347 T348 Y349	E89-R299 IonicContact OE2-CZ 3.49Å; E89-R299 IonicContact OE2-NH1 3.6Å; E89-R299 PolarHBondContact OE2-NH1 3.13Å; E89-R299 IonicContact OE2-NH2 3.58Å; E89-R299 PolarHBondContact OE2-NH2 2.81Å; H297-R299 PolarHBondContact O-N 3.17Å; R299-T325 CarbonylContact C-O 3.39Å; R299-T325 WeakPolarHBondContact CA-O 3.49Å; R299-T325 PolarHBondContact NH1-OG1 2.77Å; R299-E345 VanDerWaalsContact CD-O 3.29Å; R299-E345 WeakPolarHBondContact CD-O 3.39Å; R299-E345 IonicContact CZ-OE2 3.93Å; R299-E345 PolarHBondContact NE-O 2.8Å; R299-E345 IonicContact NH2-OE2 2.66Å; R299-E345 PolarHBondContact NH2-OE2 3.18Å; R299-C347 CarbonylContact O-C 3.6Å; R299-C347 WeakPolarHBondContact O-CA 3.22Å; R299-T348 PolarHBondContact N-OG1 3.48Å; R299-T348 PolarHBondContact O-N 3.19Å; R299-T348 PolarHBondContact O-OG1 3.08Å; R299-Y349 PolarHBondContact O-N 3.25Å; R299-Y349 VanDerWaalsContact O-N 3.12Å
300	V	98.7	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.5	-174	-171.1	0	0	0	0	110.4	T298 V302 L324 T325 L326 V327 Y349 Y351	T298-V300 HydrophobicContact CG2-CG2 3.82Å; V300-V302 HydrophobicContact CB-CG2 4.24Å; V300-V302 HydrophobicContact CG1-CG2 3.9Å; V300-L324 HydrophobicContact CG2-CD1 4.17Å; V300-T325 PolarHBondContact N-O 2.97Å; V300-L326 HydrophobicContact CB-CD2 4.16Å; V300-L326 HydrophobicContact CG2-CD2 4.48Å; V300-V327 PolarHBondContact O-N 3.32Å; V300-Y349 CarbonylContact C-O 3.58Å; V300-Y349 WeakPolarHBondContact CA-O 3.42Å; V300-Y351 HydrophobicContact CG1-CD1 3.87Å; V300-Y351 HydrophobicContact CG1-CD2 3.8Å; V300-Y351 HydrophobicContact CG1-CE1 3.8Å; V300-Y351 HydrophobicContact CG1-CE2 3.69Å; V300-Y351 HydrophobicContact CG1-CG 3.89Å
301	C	98.7	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	120.9	165.9	-176.5	0	0	0	0	109.5	P303 V327 P329 M342 C347 Y349 I350 Y351	C301-P303 VanDerWaalsContact C-CD 3.44Å; C301-P303 VanDerWaalsContact O-CD 3.24Å; C301-P303 WeakPolarHBondContact O-CD 3.27Å; C301-V327 WeakPolarHBondContact CA-O 3.23Å; C301-P329 WeakPolarHBondContact SG-CG 3.14Å; C301-M342 HydrophobicContact CB-CG 3.7Å; C301-M342 HydrophobicContact CB-SD 4.46Å; C301-C347 HydrophobicContact CB-CB 4.13Å; C301-Y349 PolarHBondContact N-O 3.44Å; C301-I350 HydrophobicContact CB-CD1 3.64Å; C301-I350 VanDerWaalsContact SG-CD1 3.6Å; C301-Y351 PolarHBondContact O-N 2.87Å; C301-Y351 VanDerWaalsContact O-N 3.08Å
302	V	98.1	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.			trans	-119.1	78.8	-173.5	-169.1	0	0	0	0	111.2	V300 V304 L326 V327 F328 Y351	V300-V302 HydrophobicContact CB-CG2 4.24Å; V300-V302 HydrophobicContact CG1-CG2 3.9Å; V302-V304 VanDerWaalsContact C-N 3.31Å; V302-V304 HydrophobicContact CG1-CG2 3.66Å; V302-L326 HydrophobicContact CG2-CB 4.19Å; V302-L326 HydrophobicContact CG2-CD2 3.97Å; V302-V327 PolarHBondContact N-O 2.83Å; V302-F328 HydrophobicContact CB-CD1 3.96Å; V302-F328 HydrophobicContact CB-CE1 3.73Å; V302-F328 HydrophobicContact CB-CZ 4.23Å; V302-F328 HydrophobicContact CG1-CD1 4.16Å; V302-F328 HydrophobicContact CG1-CE1 3.55Å; V302-F328 HydrophobicContact CG1-CZ 4.17Å; V302-F328 WeakPolarHBondContact O-CD1 3.48Å; V302-Y351 HydrophobicContact CG1-CD2 4.48Å; V302-Y351 HydrophobicContact CG2-CD2 4.24Å
303	P	94.1	Very high	93.2	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.032	15%	0.149	C	C	.	.			trans	-82.6	-9.1	171	36.5	-38.9	0	0	0	113.3	C301 Y333 N338 I350 Y351 M356	C301-P303 VanDerWaalsContact C-CD 3.44Å; C301-P303 VanDerWaalsContact O-CD 3.24Å; C301-P303 WeakPolarHBondContact O-CD 3.27Å; P303-Y333 HydrophobicContact CB-CD2 4.15Å; P303-Y333 HydrophobicContact CB-CE2 4.46Å; P303-N338 WeakPolarHBondContact CB-ND2 3.42Å; P303-N338 WeakPolarHBondContact CB-OD1 3.43Å; P303-I350 HydrophobicContact CG-CD1 3.94Å; P303-Y351 WeakPolarHBondContact CD-O 3.36Å; P303-Y351 WeakPolarHBondContact CG-O 3.38Å; P303-M356 HydrophobicContact CB-SD 4.46Å; P303-M356 HydrophobicContact CG-SD 4.24Å
304	V	92.1	Very high	93.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.131	C	C	.	.	S	Bend	trans	-70.4	143.7	177.3	-67.2	0	0	0	0	110.7	N133 V302 F310 Y351 M356	N133-V304 PolarHBondContact ND2-O 3.24Å; V302-V304 VanDerWaalsContact C-N 3.31Å; V302-V304 HydrophobicContact CG1-CG2 3.66Å; V304-F310 HydrophobicContact CB-CD1 4.32Å; V304-F310 HydrophobicContact CB-CG 4.46Å; V304-F310 HydrophobicContact CG1-CD1 3.78Å; V304-F310 HydrophobicContact CG1-CE1 3.8Å; V304-F310 HydrophobicContact CG1-CG 4.34Å; V304-F310 HydrophobicContact CG1-CZ 4.36Å; V304-F310 HydrophobicContact CG2-CD2 4.48Å; V304-F310 HydrophobicContact CG2-CG 4.35Å; V304-Y351 HydrophobicContact CG2-CD2 4.38Å; V304-M356 HydrophobicContact CG1-SD 4.15Å
305	P	91.3	Very high	93.7	Very high	17 Å²	17	19.8 Å²	19.8	11%	0.11	10%	0.102	C	C	.	.			trans	-72.4	133.6	-173.9	24.3	-31	0	0	0	112.8	N133 Y307 H308 T594	N133-P305 WeakPolarHBondContact OD1-CA 3.46Å; P305-Y307 HydrophobicContact CB-CD1 3.67Å; P305-Y307 HydrophobicContact CB-CE1 3.26Å; P305-Y307 HydrophobicContact CG-CE1 3.9Å; P305-Y307 PolarHBondContact O-N 2.92Å; P305-H308 HydrophobicContact CG-CB 4.06Å; P305-H308 PolarHBondContact O-N 2.8Å; P305-H308 VanDerWaalsContact O-N 3.12Å; P305-T594 HydrophobicContact CG-CG2 3.95Å
306	L	95.4	Very high	94.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-34.8	179.1	-77	176.2	0	0	0	113.1	N133 W137 I138 H308 S312 F328	N133-L306 HydrophobicContact CB-CD1 4.21Å; N133-L306 HydrophobicContact CB-CG 4.44Å; N133-L306 PolarHBondContact OD1-N 2.88Å; W137-L306 HydrophobicContact CB-CD1 3.98Å; W137-L306 HydrophobicContact CD2-CB 3.54Å; W137-L306 HydrophobicContact CD2-CD1 4.1Å; W137-L306 HydrophobicContact CD2-CG 4.39Å; W137-L306 HydrophobicContact CE3-CB 3.52Å; W137-L306 HydrophobicContact CE3-CD1 3.87Å; W137-L306 HydrophobicContact CE3-CD2 4.22Å; W137-L306 HydrophobicContact CE3-CG 4.08Å; W137-L306 HydrophobicContact CG-CB 4.07Å; W137-L306 HydrophobicContact CG-CD1 4.13Å; W137-L306 HydrophobicContact CH2-CB 4.27Å; W137-L306 WeakPolarHBondContact CH2-O 3.08Å; W137-L306 HydrophobicContact CZ2-CB 4.3Å; W137-L306 VanDerWaalsContact CZ2-O 3.3Å; W137-L306 WeakPolarHBondContact CZ2-O 3.34Å; W137-L306 HydrophobicContact CZ3-CB 3.89Å; W137-L306 HydrophobicContact CZ3-CD2 4.37Å; I138-L306 HydrophobicContact CB-CD1 4.38Å; L306-H308 PolarHBondContact O-N 2.91Å; L306-S312 VanDerWaalsContact O-CB 3.28Å; L306-S312 WeakPolarHBondContact O-CB 3.35Å; L306-S312 PolarHBondContact O-N 2.76Å; L306-F328 HydrophobicContact CD1-CE1 3.92Å; L306-F328 HydrophobicContact CD1-CZ 4.17Å; L306-F328 HydrophobicContact CD2-CE1 3.78Å; L306-F328 HydrophobicContact CD2-CZ 3.88Å; L306-F328 HydrophobicContact CG-CE1 3.85Å; L306-F328 HydrophobicContact CG-CZ 4.32Å
307	Y	92.3	Very high	95	Very high	22 Å²	22	13.6 Å²	13.6	9%	0.086	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.1	175.2	77.9	-91.2	0	0	0	113.8	S153 N155 P156 P305 V593 T594	S153-Y307 WeakPolarHBondContact CB-O 3.37Å; N155-Y307 HydrophobicContact CB-CD2 4.43Å; N155-Y307 HydrophobicContact CB-CE2 4.36Å; P156-Y307 HydrophobicContact CG-CD1 3.65Å; P156-Y307 HydrophobicContact CG-CE1 3.56Å; P305-Y307 HydrophobicContact CB-CD1 3.67Å; P305-Y307 HydrophobicContact CB-CE1 3.26Å; P305-Y307 HydrophobicContact CG-CE1 3.9Å; P305-Y307 PolarHBondContact O-N 2.92Å; Y307-V593 HydrophobicContact CE1-CB 4.48Å; Y307-V593 HydrophobicContact CE1-CG2 4.43Å; Y307-V593 HydrophobicContact CE2-CG2 4.24Å; Y307-V593 VanDerWaalsContact OH-CB 3.23Å; Y307-V593 WeakPolarHBondContact OH-CB 3.46Å; Y307-V593 WeakPolarHBondContact OH-CG2 3.36Å; Y307-V593 PolarHBondContact OH-O 3.26Å; Y307-T594 HydrophobicContact CE2-CG2 4.16Å; Y307-T594 WeakPolarHBondContact OH-CG2 3.43Å; Y307-T594 PolarHBondContact OH-N 3.32Å
308	H	91.6	Very high	95.6	Very high	41 Å²	41	7.5 Å²	7.5	19%	0.19	4%	0.037	C	C	.	.	S	Bend	trans	-102.8	144	174.5	-175.1	-99.7	0	0	0	110.4	P305 L306 F310 G311 S312 T408 T594	P305-H308 HydrophobicContact CG-CB 4.06Å; P305-H308 PolarHBondContact O-N 2.8Å; P305-H308 VanDerWaalsContact O-N 3.12Å; L306-H308 PolarHBondContact O-N 2.91Å; H308-F310 WeakPolarHBondContact ND1-CB 3.2Å; H308-F310 PolarHBondContact ND1-N 3.47Å; H308-F310 PolarHBondContact O-N 3.12Å; H308-G311 PolarHBondContact O-N 2.89Å; H308-S312 PolarHBondContact O-N 2.8Å; H308-S312 PolarHBondContact O-OG 3.35Å; H308-T408 PolarHBondContact NE2-OG1 3.49Å; H308-T594 HydrophobicContact CB-CG2 3.96Å
309	C	93.9	Very high	95.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-47.9	-30.1	-179.3	50.9	0	0	0	0	115.4	S312 V313 G314 P412	C309-S312 WeakPolarHBondContact CA-OG 3.45Å; C309-V313 WeakPolarHBondContact O-CA 3.5Å; C309-V313 VanDerWaalsContact O-CB 3.3Å; C309-V313 WeakPolarHBondContact O-CB 3.43Å; C309-V313 PolarHBondContact O-N 3.32Å; C309-G314 PolarHBondContact O-N 2.8Å; C309-P412 HydrophobicContact CB-CB 3.67Å; C309-P412 HydrophobicContact CB-CG 3.9Å; C309-P412 WeakPolarHBondContact SG-CB 3.31Å
310	F	92.5	Very high	95.7	Very high	11 Å²	11	5.1 Å²	5.1	5%	0.048	3%	0.027	C	C	.	.	H	α-helix	trans	-67	-40.2	176.7	-166.2	-175.7	0	0	0	111.8	V304 H308 G314 G315 Y351 L378 A380	V304-F310 HydrophobicContact CB-CD1 4.32Å; V304-F310 HydrophobicContact CB-CG 4.46Å; V304-F310 HydrophobicContact CG1-CD1 3.78Å; V304-F310 HydrophobicContact CG1-CE1 3.8Å; V304-F310 HydrophobicContact CG1-CG 4.34Å; V304-F310 HydrophobicContact CG1-CZ 4.36Å; V304-F310 HydrophobicContact CG2-CD2 4.48Å; V304-F310 HydrophobicContact CG2-CG 4.35Å; H308-F310 WeakPolarHBondContact ND1-CB 3.2Å; H308-F310 PolarHBondContact ND1-N 3.47Å; H308-F310 PolarHBondContact O-N 3.12Å; F310-G314 CarbonylContact O-C 3.59Å; F310-G314 VanDerWaalsContact O-CA 3.24Å; F310-G314 WeakPolarHBondContact O-CA 3.45Å; F310-G314 PolarHBondContact O-N 3.27Å; F310-G315 PolarHBondContact O-N 3.27Å; F310-Y351 HydrophobicContact CE2-CD1 4.36Å; F310-Y351 HydrophobicContact CE2-CD2 4.22Å; F310-Y351 AromaticContact CE2-CG 3.95Å; F310-Y351 HydrophobicContact CE2-CG 3.95Å; F310-Y351 HydrophobicContact CZ-CG 4.35Å; F310-L378 HydrophobicContact CE2-CB 4.45Å; F310-L378 HydrophobicContact CE2-CD2 3.71Å; F310-L378 HydrophobicContact CE2-CG 3.9Å; F310-L378 HydrophobicContact CZ-CB 4.3Å; F310-L378 HydrophobicContact CZ-CD2 4.2Å; F310-L378 HydrophobicContact CZ-CG 3.85Å; F310-A380 HydrophobicContact CD1-CB 4.28Å; F310-A380 HydrophobicContact CE1-CB 3.78Å; F310-A380 HydrophobicContact CZ-CB 4.05Å
311	G	94.8	Very high	95.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-75.7	-52	173.1	0	0	0	0	0	112.6	H308 G315 G316	H308-G311 PolarHBondContact O-N 2.89Å; G311-G315 VanDerWaalsContact O-CA 3.23Å; G311-G315 WeakPolarHBondContact O-CA 3.45Å; G311-G315 PolarHBondContact O-N 3.09Å; G311-G315 VanDerWaalsContact O-N 3.09Å; G311-G316 PolarHBondContact O-N 3.38Å
312	S	96.4	Very high	95.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-66.6	-47.2	-175.1	57.9	0	0	0	0	113.6	Q141 L306 H308 C309 G316 I317	Q141-S312 PolarHBondContact NE2-O 2.96Å; L306-S312 VanDerWaalsContact O-CB 3.28Å; L306-S312 WeakPolarHBondContact O-CB 3.35Å; L306-S312 PolarHBondContact O-N 2.76Å; H308-S312 PolarHBondContact O-N 2.8Å; H308-S312 PolarHBondContact O-OG 3.35Å; C309-S312 WeakPolarHBondContact CA-OG 3.45Å; S312-G316 VanDerWaalsContact O-CA 3.3Å; S312-G316 WeakPolarHBondContact O-CA 3.44Å; S312-G316 PolarHBondContact O-N 2.87Å; S312-I317 PolarHBondContact O-N 3.38Å
313	V	97.9	Very high	95.5	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.038	C	C	.	.	I	π-helix	trans	-91	-53.7	-177.9	-174.1	0	0	0	0	110.8	I279 A283 C309 G315 I317 A318 S411	I279-V313 HydrophobicContact CB-CB 4.48Å; I279-V313 HydrophobicContact CB-CG1 3.81Å; I279-V313 HydrophobicContact CB-CG2 3.84Å; I279-V313 HydrophobicContact CG2-CG1 4.4Å; I279-V313 HydrophobicContact CG2-CG2 3.7Å; I279-V313 WeakPolarHBondContact O-CG1 3.27Å; A283-V313 HydrophobicContact CB-CG1 4.13Å; C309-V313 WeakPolarHBondContact O-CA 3.5Å; C309-V313 VanDerWaalsContact O-CB 3.3Å; C309-V313 WeakPolarHBondContact O-CB 3.43Å; C309-V313 PolarHBondContact O-N 3.32Å; V313-G315 VanDerWaalsContact C-N 3.28Å; V313-G315 PolarHBondContact O-N 3.15Å; V313-I317 HydrophobicContact CG1-CB 4.31Å; V313-I317 HydrophobicContact CG1-CG1 4.43Å; V313-I317 PolarHBondContact O-N 3.12Å; V313-A318 PolarHBondContact O-N 3.36Å; V313-A318 VanDerWaalsContact O-N 3.13Å; V313-S411 WeakPolarHBondContact CG1-O 3.33Å
314	G	95.3	Very high	95.7	Very high	7 Å²	7	6.9 Å²	6.9	7%	0.072	4%	0.037	C	C	.	.	I	π-helix	trans	-63.7	-31.5	-178.1	0	0	0	0	0	113.7	C309 F310 A318 Y351	C309-G314 PolarHBondContact O-N 2.8Å; F310-G314 CarbonylContact O-C 3.59Å; F310-G314 VanDerWaalsContact O-CA 3.24Å; F310-G314 WeakPolarHBondContact O-CA 3.45Å; F310-G314 PolarHBondContact O-N 3.27Å; G314-A318 WeakPolarHBondContact O-CB 3.12Å; G314-Y351 WeakPolarHBondContact O-CE2 3.48Å; G314-Y351 PolarHBondContact O-OH 3.03Å
315	G	96.1	Very high	96	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	I	π-helix	trans	-92.9	-77.4	169.4	0	0	0	0	0	112.4	F310 G311 V313 I317 A318 M319	F310-G315 PolarHBondContact O-N 3.27Å; G311-G315 VanDerWaalsContact O-CA 3.23Å; G311-G315 WeakPolarHBondContact O-CA 3.45Å; G311-G315 PolarHBondContact O-N 3.09Å; G311-G315 VanDerWaalsContact O-N 3.09Å; V313-G315 VanDerWaalsContact C-N 3.28Å; V313-G315 PolarHBondContact O-N 3.15Å; G315-I317 PolarHBondContact O-N 3.42Å; G315-A318 PolarHBondContact O-N 2.82Å; G315-M319 PolarHBondContact O-N 3.48Å
316	G	97.9	Very high	96.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-55.2	-52.5	-168	0	0	0	0	0	114.5	F142 G311 S312 M319 A320	F142-G316 WeakPolarHBondContact CZ-O 3.49Å; G311-G316 PolarHBondContact O-N 3.38Å; S312-G316 VanDerWaalsContact O-CA 3.3Å; S312-G316 WeakPolarHBondContact O-CA 3.44Å; S312-G316 PolarHBondContact O-N 2.87Å; G316-M319 WeakPolarHBondContact O-CB 3.47Å; G316-M319 PolarHBondContact O-N 3.41Å; G316-A320 PolarHBondContact O-N 2.95Å
317	I	98.6	Very high	96.5	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.033	C	C	.	.	I	π-helix	trans	-71	-37.3	179.3	-53.4	-53.9	0	0	0	111.7	V74 F142 I279 I280 A283 S312 V313 G315 M319 A320 V321	V74-I317 HydrophobicContact CG1-CD1 3.85Å; V74-I317 HydrophobicContact CG2-CD1 3.89Å; F142-I317 HydrophobicContact CZ-CD1 4.19Å; I279-I317 HydrophobicContact CB-CG1 4.5Å; I279-I317 HydrophobicContact CD1-CD1 3.95Å; I279-I317 HydrophobicContact CD1-CG1 3.8Å; I279-I317 HydrophobicContact CG1-CG1 4.1Å; I279-I317 HydrophobicContact CG1-CG2 4.5Å; I280-I317 HydrophobicContact CG1-CG2 3.92Å; A283-I317 HydrophobicContact CB-CB 3.96Å; A283-I317 HydrophobicContact CB-CG2 3.71Å; S312-I317 PolarHBondContact O-N 3.38Å; V313-I317 HydrophobicContact CG1-CB 4.31Å; V313-I317 HydrophobicContact CG1-CG1 4.43Å; V313-I317 PolarHBondContact O-N 3.12Å; G315-I317 PolarHBondContact O-N 3.42Å; I317-M319 VanDerWaalsContact C-N 3.26Å; I317-M319 PolarHBondContact O-N 3.38Å; I317-A320 PolarHBondContact O-N 2.91Å; I317-V321 HydrophobicContact CG2-CG2 4.01Å; I317-V321 WeakPolarHBondContact O-CB 3.33Å; I317-V321 VanDerWaalsContact O-CG2 3.28Å; I317-V321 WeakPolarHBondContact O-CG2 3.32Å; I317-V321 PolarHBondContact O-N 3.22Å
318	A	98.2	Very high	96.8	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.008	3%	0.029	C	C	.	.	H	α-helix	trans	-61.5	-35.1	175.6	0	0	0	0	0	112.6	A283 V313 G314 G315 V321 H322 L324	A283-A318 HydrophobicContact CB-CB 4.18Å; V313-A318 PolarHBondContact O-N 3.36Å; V313-A318 VanDerWaalsContact O-N 3.13Å; G314-A318 WeakPolarHBondContact O-CB 3.12Å; G315-A318 PolarHBondContact O-N 2.82Å; A318-V321 PolarHBondContact O-N 3.11Å; A318-H322 WeakPolarHBondContact O-CB 3.13Å; A318-H322 PolarHBondContact O-N 3.34Å; A318-L324 HydrophobicContact CB-CD1 3.94Å
319	M	98.1	Very high	97.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.2	-51.3	171.5	170.6	-81.7	-75.1	0	0	111.6	L78 A90 V91 Y102 F105 I138 F142 G315 G316 I317 V321 G323 L324 L326	L78-M319 HydrophobicContact CD1-SD 4.49Å; A90-M319 HydrophobicContact CB-SD 4.03Å; V91-M319 HydrophobicContact CG1-CE 4.13Å; Y102-M319 HydrophobicContact CE1-SD 3.6Å; Y102-M319 VanDerWaalsContact CE1-SD 3.6Å; Y102-M319 WeakPolarHBondContact OH-CG 3.43Å; Y102-M319 PolarHBondContact OH-O 3.37Å; Y102-M319 PolarHBondContact OH-SD 2.89Å; F105-M319 HydrophobicContact CD1-CE 4.4Å; F105-M319 HydrophobicContact CE1-CE 3.93Å; F105-M319 HydrophobicContact CZ-CE 4.45Å; I138-M319 HydrophobicContact CD1-CE 3.86Å; I138-M319 HydrophobicContact CG1-CE 4.45Å; F142-M319 HydrophobicContact CE2-CE 3.88Å; F142-M319 HydrophobicContact CZ-CE 4.12Å; G315-M319 PolarHBondContact O-N 3.48Å; G316-M319 WeakPolarHBondContact O-CB 3.47Å; G316-M319 PolarHBondContact O-N 3.41Å; I317-M319 VanDerWaalsContact C-N 3.26Å; I317-M319 PolarHBondContact O-N 3.38Å; M319-V321 VanDerWaalsContact C-N 3.26Å; M319-V321 PolarHBondContact O-N 3.16Å; M319-G323 PolarHBondContact O-N 3.28Å; M319-L324 HydrophobicContact CB-CB 4.39Å; M319-L324 WeakPolarHBondContact CG-O 3.42Å; M319-L326 HydrophobicContact CB-CD1 3.67Å; M319-L326 HydrophobicContact CB-CD2 3.95Å; M319-L326 HydrophobicContact CB-CG 3.65Å; M319-L326 HydrophobicContact CG-CD1 4.13Å; M319-L326 HydrophobicContact CG-CG 3.91Å
320	A	98	Very high	97.2	Very high	1 Å²	1	4 Å²	4	1%	0.008	2%	0.024	C	C	.	.	H	α-helix	trans	-67.5	-25.7	179.7	0	0	0	0	0	113.7	A77 L78 S81 F142 G316 I317	A77-A320 CarbonylContact C-O 3.52Å; L78-A320 HydrophobicContact CB-CB 4.07Å; L78-A320 HydrophobicContact CD1-CB 4.16Å; S81-A320 WeakPolarHBondContact CB-O 3.48Å; S81-A320 PolarHBondContact OG-O 2.91Å; F142-A320 HydrophobicContact CE1-CB 3.34Å; F142-A320 HydrophobicContact CZ-CB 3.45Å; F142-A320 VanDerWaalsContact CZ-CB 3.45Å; G316-A320 PolarHBondContact O-N 2.95Å; I317-A320 PolarHBondContact O-N 2.91Å
321	V	97.4	Very high	97.2	Very high	25 Å²	25	4 Å²	4	15%	0.152	3%	0.027	C	C	.	.	H	α-helix	trans	-89.3	-31.7	-177.9	170.9	0	0	0	0	113.3	L70 A77 I280 Y284 I317 A318 M319	L70-V321 HydrophobicContact CD1-CG1 4.47Å; A77-V321 HydrophobicContact CB-CG2 4Å; I280-V321 HydrophobicContact CG2-CG2 4.07Å; Y284-V321 HydrophobicContact CD2-CG1 3.57Å; Y284-V321 HydrophobicContact CG-CG1 4.19Å; I317-V321 HydrophobicContact CG2-CG2 4.01Å; I317-V321 WeakPolarHBondContact O-CB 3.33Å; I317-V321 VanDerWaalsContact O-CG2 3.28Å; I317-V321 WeakPolarHBondContact O-CG2 3.32Å; I317-V321 PolarHBondContact O-N 3.22Å; A318-V321 PolarHBondContact O-N 3.11Å; M319-V321 VanDerWaalsContact C-N 3.26Å; M319-V321 PolarHBondContact O-N 3.16Å
322	H	97.5	Very high	96.8	Very high	14 Å²	14	4.8 Å²	4.8	7%	0.065	4%	0.035	C	C	.	.	H	α-helix	trans	-117	1.4	-175.3	-65.4	-80.2	0	0	0	115.1	A283 Y284 G287 Y292 A318 L324	A283-H322 PolarHBondContact O-NE2 3.38Å; A283-H322 VanDerWaalsContact O-NE2 3.14Å; Y284-H322 WeakPolarHBondContact CA-NE2 3.23Å; Y284-H322 AromaticContact CD2-CE1 3.79Å; Y284-H322 PolarHBondContact O-CE1 3.39Å; Y284-H322 VanDerWaalsContact O-CE1 3.26Å; Y284-H322 PolarHBondContact O-NE2 3.12Å; G287-H322 WeakPolarHBondContact CA-NE2 3.45Å; Y292-H322 HydrophobicContact CD2-CB 4.38Å; A318-H322 WeakPolarHBondContact O-CB 3.13Å; A318-H322 PolarHBondContact O-N 3.34Å; H322-L324 HydrophobicContact CB-CD2 3.75Å; H322-L324 HydrophobicContact CB-CG 3.98Å
323	G	96.6	Very high	96.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	26.1	179.7	0	0	0	0	0	114.6	W85 R88 Y102 M319	W85-G323 VanDerWaalsContact CE3-CA 3.46Å; R88-G323 WeakPolarHBondContact CD-O 3.2Å; R88-G323 PolarHBondContact NH1-O 3.34Å; Y102-G323 WeakPolarHBondContact OH-CA 3.3Å; M319-G323 PolarHBondContact O-N 3.28Å
324	L	97.4	Very high	96.1	Very high	3 Å²	3	11 Å²	11	2%	0.016	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-71.3	154.4	-176.7	-44.4	176.9	0	0	0	111.8	Y102 Y292 T298 V300 A318 M319 H322 L326	Y102-L324 PolarHBondContact OH-N 2.89Å; Y102-L324 VanDerWaalsContact OH-N 3.11Å; Y102-L324 PolarHBondContact OH-O 2.87Å; Y292-L324 HydrophobicContact CD1-CD2 4.21Å; Y292-L324 HydrophobicContact CD2-CD1 3.68Å; Y292-L324 HydrophobicContact CD2-CD2 3.65Å; Y292-L324 HydrophobicContact CD2-CG 4.26Å; Y292-L324 HydrophobicContact CE2-CD1 3.47Å; Y292-L324 VanDerWaalsContact CE2-CD1 3.47Å; Y292-L324 HydrophobicContact CE2-CD2 4.14Å; Y292-L324 HydrophobicContact CE2-CG 4.46Å; Y292-L324 HydrophobicContact CG-CD2 3.69Å; T298-L324 HydrophobicContact CG2-CD2 3.94Å; V300-L324 HydrophobicContact CG2-CD1 4.17Å; A318-L324 HydrophobicContact CB-CD1 3.94Å; M319-L324 HydrophobicContact CB-CB 4.39Å; M319-L324 WeakPolarHBondContact CG-O 3.42Å; H322-L324 HydrophobicContact CB-CD2 3.75Å; H322-L324 HydrophobicContact CB-CG 3.98Å; L324-L326 HydrophobicContact CB-CD2 4.45Å
325	T	98.7	Very high	95.9	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.031	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.9	157.9	-51.2	0	0	0	0	109.4	E89 V92 T298 R299 V300 V327	E89-T325 HydrophobicContact CB-CG2 3.67Å; E89-T325 WeakPolarHBondContact O-CA 3.37Å; E89-T325 VanDerWaalsContact O-CB 3.26Å; E89-T325 WeakPolarHBondContact O-CB 3.37Å; E89-T325 WeakPolarHBondContact O-CG2 3.33Å; E89-T325 PolarHBondContact O-OG1 3.02Å; V92-T325 HydrophobicContact CG2-CG2 4.01Å; T298-T325 PolarHBondContact O-N 3.04Å; R299-T325 CarbonylContact C-O 3.39Å; R299-T325 WeakPolarHBondContact CA-O 3.49Å; R299-T325 PolarHBondContact NH1-OG1 2.77Å; V300-T325 PolarHBondContact N-O 2.97Å; T325-V327 HydrophobicContact CG2-CG2 4.48Å
326	L	98.8	Very high	95.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.8	169.7	-53.6	-176.7	0	0	0	110.6	A90 V91 V92 I138 V300 V302 M319 L324 F328	A90-L326 PolarHBondContact O-N 3.4Å; V91-L326 CarbonylContact C-O 3.59Å; V91-L326 WeakPolarHBondContact CA-O 3.37Å; V91-L326 HydrophobicContact CG1-CB 4.42Å; V92-L326 PolarHBondContact N-O 2.72Å; I138-L326 HydrophobicContact CD1-CD1 3.83Å; V300-L326 HydrophobicContact CB-CD2 4.16Å; V300-L326 HydrophobicContact CG2-CD2 4.48Å; V302-L326 HydrophobicContact CG2-CB 4.19Å; V302-L326 HydrophobicContact CG2-CD2 3.97Å; M319-L326 HydrophobicContact CB-CD1 3.67Å; M319-L326 HydrophobicContact CB-CD2 3.95Å; M319-L326 HydrophobicContact CB-CG 3.65Å; M319-L326 HydrophobicContact CG-CD1 4.13Å; M319-L326 HydrophobicContact CG-CG 3.91Å; L324-L326 HydrophobicContact CB-CD2 4.45Å; L326-F328 HydrophobicContact CB-CD2 4.3Å; L326-F328 HydrophobicContact CB-CE2 3.62Å; L326-F328 HydrophobicContact CB-CZ 4.15Å; L326-F328 HydrophobicContact CD1-CE2 4.06Å; L326-F328 HydrophobicContact CD1-CZ 3.96Å
327	V	98.9	Very high	95.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.4	175.1	178.5	0	0	0	0	108.3	V92 L94 V300 C301 V302 T325 P329 A341 E345	V92-V327 HydrophobicContact CB-CG2 4.34Å; V92-V327 WeakPolarHBondContact O-CA 3.35Å; L94-V327 HydrophobicContact CD1-CG1 3.77Å; L94-V327 HydrophobicContact CG-CG1 4.17Å; V300-V327 PolarHBondContact O-N 3.32Å; C301-V327 WeakPolarHBondContact CA-O 3.23Å; V302-V327 PolarHBondContact N-O 2.83Å; T325-V327 HydrophobicContact CG2-CG2 4.48Å; V327-P329 WeakPolarHBondContact O-CD 3.36Å; V327-A341 HydrophobicContact CG1-CB 4.17Å; V327-E345 HydrophobicContact CG1-CB 4.05Å; V327-E345 HydrophobicContact CG1-CG 3.71Å; V327-E345 HydrophobicContact CG2-CB 3.85Å; V327-E345 HydrophobicContact CG2-CG 4.12Å
328	F	98.6	Very high	95.8	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.7	174.4	-66.3	-85.2	0	0	0	109	V91 V92 F93 L94 N133 I138 V302 L306 L326 S330	V91-F328 HydrophobicContact CG1-CE2 4.45Å; V92-F328 PolarHBondContact O-N 3.45Å; F93-F328 HydrophobicContact CD1-CB 3.56Å; F93-F328 HydrophobicContact CD1-CD2 4.05Å; F93-F328 AromaticContact CD1-CG 3.89Å; F93-F328 HydrophobicContact CD1-CG 3.89Å; F93-F328 HydrophobicContact CD2-CD2 4.02Å; F93-F328 HydrophobicContact CE1-CB 3.68Å; F93-F328 HydrophobicContact CE1-CD1 4.05Å; F93-F328 AromaticContact CE1-CD2 3.55Å; F93-F328 HydrophobicContact CE1-CD2 3.55Å; F93-F328 HydrophobicContact CE1-CE2 4.18Å; F93-F328 AromaticContact CE1-CG 3.47Å; F93-F328 HydrophobicContact CE1-CG 3.47Å; F93-F328 VanDerWaalsContact CE1-CG 3.47Å; F93-F328 AromaticContact CE2-CD2 3.51Å; F93-F328 HydrophobicContact CE2-CD2 3.51Å; F93-F328 AromaticContact CE2-CE2 3.86Å; F93-F328 HydrophobicContact CE2-CE2 3.86Å; F93-F328 HydrophobicContact CE2-CG 4.3Å; F93-F328 HydrophobicContact CG-CB 4.07Å; F93-F328 HydrophobicContact CG-CD2 4.25Å; F93-F328 HydrophobicContact CG-CG 4.45Å; F93-F328 HydrophobicContact CZ-CB 4.3Å; F93-F328 HydrophobicContact CZ-CD1 4.33Å; F93-F328 AromaticContact CZ-CD2 3.25Å; F93-F328 HydrophobicContact CZ-CD2 3.25Å; F93-F328 AromaticContact CZ-CE2 3.52Å; F93-F328 HydrophobicContact CZ-CE2 3.52Å; F93-F328 AromaticContact CZ-CG 3.7Å; F93-F328 HydrophobicContact CZ-CG 3.7Å; F93-F328 HydrophobicContact CZ-CZ 4.18Å; L94-F328 PolarHBondContact N-O 2.82Å; L94-F328 VanDerWaalsContact N-O 3.11Å; N133-F328 HydrophobicContact CB-CD1 4.3Å; I138-F328 HydrophobicContact CD1-CE2 4.45Å; I138-F328 HydrophobicContact CD1-CZ 4.36Å; V302-F328 HydrophobicContact CB-CD1 3.96Å; V302-F328 HydrophobicContact CB-CE1 3.73Å; V302-F328 HydrophobicContact CB-CZ 4.23Å; V302-F328 HydrophobicContact CG1-CD1 4.16Å; V302-F328 HydrophobicContact CG1-CE1 3.55Å; V302-F328 HydrophobicContact CG1-CZ 4.17Å; V302-F328 WeakPolarHBondContact O-CD1 3.48Å; L306-F328 HydrophobicContact CD1-CE1 3.92Å; L306-F328 HydrophobicContact CD1-CZ 4.17Å; L306-F328 HydrophobicContact CD2-CE1 3.78Å; L306-F328 HydrophobicContact CD2-CZ 3.88Å; L306-F328 HydrophobicContact CG-CE1 3.85Å; L306-F328 HydrophobicContact CG-CZ 4.32Å; L326-F328 HydrophobicContact CB-CD2 4.3Å; L326-F328 HydrophobicContact CB-CE2 3.62Å; L326-F328 HydrophobicContact CB-CZ 4.15Å; L326-F328 HydrophobicContact CD1-CE2 4.06Å; L326-F328 HydrophobicContact CD1-CZ 3.96Å; F328-S330 PolarHBondContact O-N 3.38Å
329	P	97.4	Very high	95.8	Very high	4 Å²	4	15 Å²	15	3%	0.026	8%	0.083	C	C	.	.			trans	-71	-32.4	-173.5	-22.9	36.4	0	0	0	113.7	C301 V327 A337 N338 A341	C301-P329 WeakPolarHBondContact SG-CG 3.14Å; V327-P329 WeakPolarHBondContact O-CD 3.36Å; P329-A337 HydrophobicContact CB-CB 4.21Å; P329-N338 HydrophobicContact CG-CB 4.49Å; P329-N338 WeakPolarHBondContact CG-OD1 3.3Å; P329-A341 HydrophobicContact CB-CB 3.74Å; P329-A341 HydrophobicContact CG-CB 3.8Å
330	S	95.6	Very high	95.8	Very high	8 Å²	8	17.9 Å²	17.9	6%	0.056	10%	0.098	C	C	.	.			trans	-165.7	155.4	-174.7	51	0	0	0	0	110.9	F328 G332	F328-S330 PolarHBondContact O-N 3.38Å; S330-G332 VanDerWaalsContact C-N 3.27Å; S330-G332 PolarHBondContact O-N 2.94Å; S330-G332 PolarHBondContact OG-O 3.31Å; S330-G332 VanDerWaalsContact OG-O 3.08Å
331	A	92.4	Very high	95.8	Very high	13 Å²	13	17.9 Å²	17.9	11%	0.107	10%	0.098	C	C	.	.	S	Bend	trans	-64.3	-30.8	-176.1	0	0	0	0	0	113.4	P132 N133 F181	P132-A331 HydrophobicContact CB-CB 4.03Å; P132-A331 VanDerWaalsContact CB-O 3.23Å; P132-A331 WeakPolarHBondContact CB-O 3.12Å; P132-A331 HydrophobicContact CG-CB 4.31Å; N133-A331 WeakPolarHBondContact CB-O 3.32Å; N133-A331 PolarHBondContact N-O 2.81Å; N133-A331 VanDerWaalsContact O-CA 3.29Å; N133-A331 WeakPolarHBondContact O-CA 3.47Å; F181-A331 HydrophobicContact CE2-CB 3.88Å; F181-A331 HydrophobicContact CZ-CB 4.2Å
332	G	86.9	Confident	95.8	Very high	16 Å²	16	16.7 Å²	16.7	17%	0.165	9%	0.091	C	C	.	.	S	Bend	trans	-136.5	150.3	168.8	0	0	0	0	0	110.3	R182 S330 N334	R182-G332 VanDerWaalsContact NH2-C 3.34Å; R182-G332 PolarHBondContact NH2-O 3.27Å; R182-G332 VanDerWaalsContact NH2-O 3.16Å; S330-G332 VanDerWaalsContact C-N 3.27Å; S330-G332 PolarHBondContact O-N 2.94Å; S330-G332 PolarHBondContact OG-O 3.31Å; S330-G332 VanDerWaalsContact OG-O 3.08Å; G332-N334 PolarHBondContact O-N 2.93Å
333	Y	87.3	Confident	95.9	Very high	58 Å²	58	19.4 Å²	19.4	23%	0.227	10%	0.103	C	C	.	.			trans	-40.5	132.3	-171.6	180	-98.4	0	0	0	115	R182 P303 G335 N338 M356 D359	R182-Y333 PolarHBondContact NH2-O 3.42Å; P303-Y333 HydrophobicContact CB-CD2 4.15Å; P303-Y333 HydrophobicContact CB-CE2 4.46Å; Y333-G335 WeakPolarHBondContact OH-CA 3.31Å; Y333-N338 WeakPolarHBondContact CE2-ND2 3.35Å; Y333-M356 HydrophobicContact CD2-CB 4.34Å; Y333-M356 HydrophobicContact CD2-CE 3.77Å; Y333-M356 HydrophobicContact CD2-CG 3.63Å; Y333-M356 HydrophobicContact CD2-SD 3.8Å; Y333-M356 HydrophobicContact CE2-CB 3.53Å; Y333-M356 HydrophobicContact CE2-CE 4.42Å; Y333-M356 HydrophobicContact CE2-CG 3.3Å; Y333-M356 HydrophobicContact CE2-SD 3.92Å; Y333-M356 HydrophobicContact CG-CE 4.26Å; Y333-M356 HydrophobicContact CG-CG 4.42Å; Y333-M356 WeakPolarHBondContact OH-CA 3.38Å; Y333-M356 PolarHBondContact OH-O 2.87Å; Y333-M356 VanDerWaalsContact OH-O 3.05Å; Y333-D359 HydrophobicContact CE1-CB 4.21Å; Y333-D359 WeakPolarHBondContact CE1-OD2 3.41Å; Y333-D359 WeakPolarHBondContact OH-CB 3.46Å
334	N	91.6	Very high	96	Very high	72 Å²	72	22.8 Å²	22.8	39%	0.385	13%	0.127	S	C	.	.			trans	-151.6	114.2	171.9	177.7	-31.8	0	0	0	109.6	G332 K336 A337 N338	G332-N334 PolarHBondContact O-N 2.93Å; N334-K336 PolarHBondContact O-N 2.95Å; N334-K336 PolarHBondContact OD1-N 3.33Å; N334-A337 HydrophobicContact CB-CB 3.89Å; N334-A337 PolarHBondContact O-N 3.46Å; N334-A337 PolarHBondContact OD1-N 3.21Å; N334-A337 VanDerWaalsContact OD1-N 3.13Å; N334-N338 PolarHBondContact O-N 3.35Å; N334-N338 PolarHBondContact O-ND2 3.46Å; N334-N338 PolarHBondContact O-OD1 3.28Å
335	G	91.3	Very high	96	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-38.5	-176.6	0	0	0	0	0	114.8	Y333 N338 L339	Y333-G335 WeakPolarHBondContact OH-CA 3.31Å; G335-N338 PolarHBondContact O-N 3.01Å; G335-L339 PolarHBondContact O-N 2.93Å
336	K	96.1	Very high	96	Very high	77 Å²	77	30 Å²	30	34%	0.335	16%	0.155	S	C	.	.	H	α-helix	trans	-68.7	-45.8	177.9	-166	-158.9	175.9	-54.3	0	111.3	N334 N338 L339 D340 Y369	N334-K336 PolarHBondContact O-N 2.95Å; N334-K336 PolarHBondContact OD1-N 3.33Å; K336-N338 PolarHBondContact O-N 3.49Å; K336-L339 PolarHBondContact O-N 3.17Å; K336-D340 IonicContact NZ-OD1 2.81Å; K336-D340 PolarHBondContact NZ-OD1 3.23Å; K336-D340 IonicContact NZ-OD2 3.01Å; K336-D340 PolarHBondContact NZ-OD2 3.45Å; K336-D340 PolarHBondContact O-N 3Å; K336-Y369 WeakPolarHBondContact CE-OH 3.42Å; K336-Y369 WeakPolarHBondContact CG-OH 3.43Å; K336-Y369 PolarHBondContact NZ-OH 2.87Å
337	A	97.2	Very high	96	Very high	13 Å²	13	30 Å²	30	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-34.8	177.8	0	0	0	0	0	111.8	P329 N334 D340 A341	P329-A337 HydrophobicContact CB-CB 4.21Å; N334-A337 HydrophobicContact CB-CB 3.89Å; N334-A337 PolarHBondContact O-N 3.46Å; N334-A337 PolarHBondContact OD1-N 3.21Å; N334-A337 VanDerWaalsContact OD1-N 3.13Å; A337-D340 PolarHBondContact O-N 3.33Å; A337-A341 WeakPolarHBondContact O-CB 3.44Å; A337-A341 PolarHBondContact O-N 3.04Å
338	N	97.1	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-41	175.6	-55.1	-15.9	0	0	0	112.6	P303 P329 Y333 N334 G335 K336 M342 M360	P303-N338 WeakPolarHBondContact CB-ND2 3.42Å; P303-N338 WeakPolarHBondContact CB-OD1 3.43Å; P329-N338 HydrophobicContact CG-CB 4.49Å; P329-N338 WeakPolarHBondContact CG-OD1 3.3Å; Y333-N338 WeakPolarHBondContact CE2-ND2 3.35Å; N334-N338 PolarHBondContact O-N 3.35Å; N334-N338 PolarHBondContact O-ND2 3.46Å; N334-N338 PolarHBondContact O-OD1 3.28Å; G335-N338 PolarHBondContact O-N 3.01Å; K336-N338 PolarHBondContact O-N 3.49Å; N338-M342 WeakPolarHBondContact O-CB 3.29Å; N338-M342 VanDerWaalsContact O-CG 3.31Å; N338-M342 WeakPolarHBondContact O-CG 3.42Å; N338-M342 PolarHBondContact O-N 3.1Å; N338-M360 HydrophobicContact CB-CG 4.48Å; N338-M360 HydrophobicContact CB-SD 3.68Å
339	L	98.4	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-45.5	175.1	-64	-180	0	0	0	111	G335 K336 A341 M342 Q343 M360 Q363 L366 Y369 L371 M396	G335-L339 PolarHBondContact O-N 2.93Å; K336-L339 PolarHBondContact O-N 3.17Å; L339-A341 VanDerWaalsContact C-N 3.33Å; L339-A341 PolarHBondContact O-N 3.43Å; L339-M342 HydrophobicContact CD2-CE 3.67Å; L339-M342 PolarHBondContact O-N 2.82Å; L339-Q343 PolarHBondContact O-N 3.3Å; L339-Q343 VanDerWaalsContact O-N 3.13Å; L339-M360 HydrophobicContact CD2-CB 4.24Å; L339-M360 HydrophobicContact CD2-CG 4.34Å; L339-M360 HydrophobicContact CD2-SD 4.33Å; L339-M360 HydrophobicContact CG-CG 4.44Å; L339-Q363 HydrophobicContact CD1-CB 3.8Å; L339-Q363 HydrophobicContact CD1-CG 3.65Å; L339-L366 HydrophobicContact CD1-CD1 3.88Å; L339-L366 HydrophobicContact CD2-CD1 3.86Å; L339-Y369 HydrophobicContact CB-CD1 3.63Å; L339-Y369 HydrophobicContact CB-CD2 4.09Å; L339-Y369 HydrophobicContact CB-CE1 3.58Å; L339-Y369 HydrophobicContact CB-CE2 4.05Å; L339-Y369 HydrophobicContact CB-CG 3.91Å; L339-Y369 HydrophobicContact CD1-CD2 3.82Å; L339-Y369 HydrophobicContact CD1-CE2 3.67Å; L339-Y369 HydrophobicContact CD1-CG 4.42Å; L339-L371 HydrophobicContact CD2-CD1 4.22Å; L339-L371 HydrophobicContact CD2-CD2 4.46Å; L339-M396 HydrophobicContact CD2-CE 3.97Å
340	D	98	Very high	95.9	Very high	59 Å²	59	31.2 Å²	31.2	32%	0.316	16%	0.162	S	C	.	.	H	α-helix	trans	-54	-49.9	174.2	-70.5	-45.4	0	0	0	110.6	K336 A337 Q343 S344 Y369	K336-D340 IonicContact NZ-OD1 2.81Å; K336-D340 PolarHBondContact NZ-OD1 3.23Å; K336-D340 IonicContact NZ-OD2 3.01Å; K336-D340 PolarHBondContact NZ-OD2 3.45Å; K336-D340 PolarHBondContact O-N 3Å; A337-D340 PolarHBondContact O-N 3.33Å; D340-Q343 PolarHBondContact O-N 3.46Å; D340-S344 WeakPolarHBondContact O-CB 3.13Å; D340-S344 PolarHBondContact O-N 3.2Å; D340-S344 PolarHBondContact O-OG 2.86Å; D340-Y369 WeakPolarHBondContact OD1-CE1 3.5Å
341	A	98.4	Very high	96	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-41.6	-179.3	0	0	0	0	0	113.5	L94 V327 P329 A337 L339 Q343 E345	L94-A341 HydrophobicContact CD1-CB 3.39Å; V327-A341 HydrophobicContact CG1-CB 4.17Å; P329-A341 HydrophobicContact CB-CB 3.74Å; P329-A341 HydrophobicContact CG-CB 3.8Å; A337-A341 WeakPolarHBondContact O-CB 3.44Å; A337-A341 PolarHBondContact O-N 3.04Å; L339-A341 VanDerWaalsContact C-N 3.33Å; L339-A341 PolarHBondContact O-N 3.43Å; A341-Q343 VanDerWaalsContact C-N 3.3Å; A341-Q343 PolarHBondContact O-N 3.16Å; A341-E345 WeakPolarHBondContact O-CB 3.38Å; A341-E345 PolarHBondContact O-N 2.82Å
342	M	98.5	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-41.7	176.9	-77.5	-173.4	-63.7	0	0	111.5	C301 N338 L339 R346 C347 I350 M360 L371 V374 M396	C301-M342 HydrophobicContact CB-CG 3.7Å; C301-M342 HydrophobicContact CB-SD 4.46Å; N338-M342 WeakPolarHBondContact O-CB 3.29Å; N338-M342 VanDerWaalsContact O-CG 3.31Å; N338-M342 WeakPolarHBondContact O-CG 3.42Å; N338-M342 PolarHBondContact O-N 3.1Å; L339-M342 HydrophobicContact CD2-CE 3.67Å; L339-M342 PolarHBondContact O-N 2.82Å; M342-R346 WeakPolarHBondContact O-CA 3.24Å; M342-R346 PolarHBondContact O-N 2.89Å; M342-C347 HydrophobicContact CB-CB 4.29Å; M342-C347 HydrophobicContact CG-CB 4.03Å; M342-C347 PolarHBondContact O-N 2.82Å; M342-I350 HydrophobicContact SD-CB 3.82Å; M342-I350 HydrophobicContact SD-CD1 4Å; M342-I350 HydrophobicContact SD-CG1 3.99Å; M342-I350 HydrophobicContact SD-CG2 4.36Å; M342-M360 HydrophobicContact CE-SD 3.94Å; M342-L371 HydrophobicContact CB-CD2 3.97Å; M342-L371 HydrophobicContact CE-CD2 4.08Å; M342-V374 HydrophobicContact CB-CG2 4.02Å; M342-V374 HydrophobicContact CG-CG2 4.21Å; M342-V374 HydrophobicContact SD-CG1 4.16Å; M342-V374 HydrophobicContact SD-CG2 3.89Å; M342-M396 HydrophobicContact CE-CE 4.22Å
343	Q	98.4	Very high	95.9	Very high	71 Å²	71	29.8 Å²	29.8	33%	0.332	15%	0.148	S	C	.	.	H	α-helix	trans	-70.6	-52.6	176.5	-178.2	-178.9	-102	0	0	112.3	L339 D340 A341 R346 Y369 D370	L339-Q343 PolarHBondContact O-N 3.3Å; L339-Q343 VanDerWaalsContact O-N 3.13Å; D340-Q343 PolarHBondContact O-N 3.46Å; A341-Q343 VanDerWaalsContact C-N 3.3Å; A341-Q343 PolarHBondContact O-N 3.16Å; Q343-R346 PolarHBondContact O-N 2.85Å; Q343-Y369 HydrophobicContact CB-CD1 4.49Å; Q343-D370 HydrophobicContact CG-CB 4.3Å
344	S	98.1	Very high	95.6	Very high	72 Å²	72	27.3 Å²	27.3	50%	0.503	14%	0.14	S	C	.	.	H	α-helix	trans	-68.3	-39.8	-171.8	71.5	0	0	0	0	112.7	D340	D340-S344 WeakPolarHBondContact O-CB 3.13Å; D340-S344 PolarHBondContact O-N 3.2Å; D340-S344 PolarHBondContact O-OG 2.86Å
345	E	98.4	Very high	94.9	Very high	23 Å²	23	25.4 Å²	25.4	11%	0.107	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.3	179.3	-59.8	-58.3	128.2	0	0	113.2	L94 R99 R299 V327 A341 C347	L94-E345 HydrophobicContact CD1-CG 3.91Å; L94-E345 HydrophobicContact CD2-CG 3.8Å; L94-E345 WeakPolarHBondContact CD2-OE1 3.45Å; L94-E345 HydrophobicContact CG-CG 4.34Å; R99-E345 IonicContact CZ-OE1 2.66Å; R99-E345 IonicContact CZ-OE2 2.62Å; R99-E345 IonicContact NH1-OE1 3.24Å; R99-E345 IonicContact NH1-OE2 2.59Å; R99-E345 PolarHBondContact NH1-OE2 3.31Å; R99-E345 VanDerWaalsContact NH2-CD 3.31Å; R99-E345 IonicContact NH2-OE1 3.75Å; R99-E345 PolarHBondContact NH2-OE1 3.44Å; R99-E345 IonicContact NH2-OE2 3.02Å; R99-E345 PolarHBondContact NH2-OE2 3.32Å; R299-E345 VanDerWaalsContact CD-O 3.29Å; R299-E345 WeakPolarHBondContact CD-O 3.39Å; R299-E345 IonicContact CZ-OE2 3.93Å; R299-E345 PolarHBondContact NE-O 2.8Å; R299-E345 IonicContact NH2-OE2 2.66Å; R299-E345 PolarHBondContact NH2-OE2 3.18Å; V327-E345 HydrophobicContact CG1-CB 4.05Å; V327-E345 HydrophobicContact CG1-CG 3.71Å; V327-E345 HydrophobicContact CG2-CB 3.85Å; V327-E345 HydrophobicContact CG2-CG 4.12Å; A341-E345 WeakPolarHBondContact O-CB 3.38Å; A341-E345 PolarHBondContact O-N 2.82Å; E345-C347 VanDerWaalsContact C-N 3.3Å; E345-C347 PolarHBondContact O-N 3.11Å
346	R	97.9	Very high	94.7	Very high	137 Å²	137	25.6 Å²	25.6	52%	0.517	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	49.4	-179.6	-59.5	-174.5	63	71	-1.7	111.9	M342 Q343 T348 T373	M342-R346 WeakPolarHBondContact O-CA 3.24Å; M342-R346 PolarHBondContact O-N 2.89Å; Q343-R346 PolarHBondContact O-N 2.85Å; R346-T348 PolarHBondContact O-N 3.08Å; R346-T373 HydrophobicContact CB-CG2 4.16Å; R346-T373 VanDerWaalsContact CZ-CG2 3.41Å
347	C	98.6	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.			trans	-61.8	134.4	-178.4	-67.7	0	0	0	0	110.5	R299 C301 M342 E345 T373 V374	R299-C347 CarbonylContact O-C 3.6Å; R299-C347 WeakPolarHBondContact O-CA 3.22Å; C301-C347 HydrophobicContact CB-CB 4.13Å; M342-C347 HydrophobicContact CB-CB 4.29Å; M342-C347 HydrophobicContact CG-CB 4.03Å; M342-C347 PolarHBondContact O-N 2.82Å; E345-C347 VanDerWaalsContact C-N 3.3Å; E345-C347 PolarHBondContact O-N 3.11Å; C347-T373 CarbonylContact O-C 3.45Å; C347-T373 PolarHBondContact O-OG1 3.26Å; C347-V374 WeakPolarHBondContact O-CA 3.35Å; C347-V374 VanDerWaalsContact O-CG2 3.31Å; C347-V374 WeakPolarHBondContact O-CG2 3.48Å; C347-V374 PolarHBondContact O-N 2.95Å
348	T	98.1	Very high	93.5	Very high	29 Å²	29	23.4 Å²	23.4	18%	0.178	12%	0.122	C	C	.	.	S	Bend	trans	-93.7	-15.9	177.6	62.2	0	0	0	0	113	T298 R299 R346 T373 E375 G376	T298-T348 WeakPolarHBondContact CA-OG1 3.39Å; R299-T348 PolarHBondContact N-OG1 3.48Å; R299-T348 PolarHBondContact O-N 3.19Å; R299-T348 PolarHBondContact O-OG1 3.08Å; R346-T348 PolarHBondContact O-N 3.08Å; T348-T373 VanDerWaalsContact CA-O 3.3Å; T348-T373 WeakPolarHBondContact CA-O 3.36Å; T348-E375 PolarHBondContact O-N 3.4Å; T348-G376 PolarHBondContact O-N 2.86Å
349	Y	98.3	Very high	93	Very high	2 Å²	2	27 Å²	27	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.7	-178.7	-135	-102.3	0	0	0	111.7	Y292 R299 V300 C301 Y351 G376 G377 L378 T402	Y292-Y349 HydrophobicContact CE1-CD1 4.48Å; Y292-Y349 HydrophobicContact CE1-CD2 4.43Å; Y292-Y349 HydrophobicContact CE1-CG 4.31Å; Y292-Y349 WeakPolarHBondContact OH-CD1 3.3Å; R299-Y349 PolarHBondContact O-N 3.25Å; R299-Y349 VanDerWaalsContact O-N 3.12Å; V300-Y349 CarbonylContact C-O 3.58Å; V300-Y349 WeakPolarHBondContact CA-O 3.42Å; C301-Y349 PolarHBondContact N-O 3.44Å; Y349-Y351 HydrophobicContact CD1-CD1 4.04Å; Y349-Y351 AromaticContact CD1-CE1 3.73Å; Y349-Y351 HydrophobicContact CD1-CE1 3.73Å; Y349-Y351 HydrophobicContact CE1-CD1 4.44Å; Y349-Y351 HydrophobicContact CE1-CE1 4.08Å; Y349-G376 WeakPolarHBondContact CA-O 3.28Å; Y349-G376 VanDerWaalsContact CD2-C 3.5Å; Y349-G376 VanDerWaalsContact CE2-C 3.42Å; Y349-G376 VanDerWaalsContact CE2-CA 3.48Å; Y349-G377 VanDerWaalsContact CE1-CA 3.44Å; Y349-G377 VanDerWaalsContact CZ-N 3.33Å; Y349-G377 PolarHBondContact OH-O 3.2Å; Y349-L378 HydrophobicContact CE1-CB 4.13Å; Y349-T402 PolarHBondContact OH-OG1 2.61Å
350	I	98.3	Very high	92.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.6	176.1	175.1	66.1	0	0	0	110.5	C301 P303 M342 Y357 M360 V374 G376 G377 L378 I398	C301-I350 HydrophobicContact CB-CD1 3.64Å; C301-I350 VanDerWaalsContact SG-CD1 3.6Å; P303-I350 HydrophobicContact CG-CD1 3.94Å; M342-I350 HydrophobicContact SD-CB 3.82Å; M342-I350 HydrophobicContact SD-CD1 4Å; M342-I350 HydrophobicContact SD-CG1 3.99Å; M342-I350 HydrophobicContact SD-CG2 4.36Å; I350-Y357 HydrophobicContact CG1-CE1 4.17Å; I350-Y357 HydrophobicContact CG2-CE1 3.98Å; I350-Y357 PolarHBondContact O-OH 2.77Å; I350-M360 HydrophobicContact CG1-CE 4.28Å; I350-V374 HydrophobicContact CB-CG1 4.39Å; I350-V374 HydrophobicContact CG2-CG1 3.87Å; I350-G376 PolarHBondContact N-O 2.68Å; I350-G377 CarbonylContact O-C 3.52Å; I350-G377 WeakPolarHBondContact O-CA 3.29Å; I350-L378 PolarHBondContact O-N 2.97Å; I350-I398 HydrophobicContact CG2-CD1 3.86Å
351	Y	97.8	Very high	92.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.9	168.9	-65	-16	0	0	0	110.3	Y292 V300 C301 V302 P303 V304 F310 G314 Y349 L378	Y292-Y351 VanDerWaalsContact OH-CE1 3.27Å; Y292-Y351 WeakPolarHBondContact OH-CE1 3.08Å; Y292-Y351 PolarHBondContact OH-OH 3.16Å; V300-Y351 HydrophobicContact CG1-CD1 3.87Å; V300-Y351 HydrophobicContact CG1-CD2 3.8Å; V300-Y351 HydrophobicContact CG1-CE1 3.8Å; V300-Y351 HydrophobicContact CG1-CE2 3.69Å; V300-Y351 HydrophobicContact CG1-CG 3.89Å; C301-Y351 PolarHBondContact O-N 2.87Å; C301-Y351 VanDerWaalsContact O-N 3.08Å; V302-Y351 HydrophobicContact CG1-CD2 4.48Å; V302-Y351 HydrophobicContact CG2-CD2 4.24Å; P303-Y351 WeakPolarHBondContact CD-O 3.36Å; P303-Y351 WeakPolarHBondContact CG-O 3.38Å; V304-Y351 HydrophobicContact CG2-CD2 4.38Å; F310-Y351 HydrophobicContact CE2-CD1 4.36Å; F310-Y351 HydrophobicContact CE2-CD2 4.22Å; F310-Y351 AromaticContact CE2-CG 3.95Å; F310-Y351 HydrophobicContact CE2-CG 3.95Å; F310-Y351 HydrophobicContact CZ-CG 4.35Å; G314-Y351 WeakPolarHBondContact O-CE2 3.48Å; G314-Y351 PolarHBondContact O-OH 3.03Å; Y349-Y351 HydrophobicContact CD1-CD1 4.04Å; Y349-Y351 AromaticContact CD1-CE1 3.73Å; Y349-Y351 HydrophobicContact CD1-CE1 3.73Å; Y349-Y351 HydrophobicContact CE1-CD1 4.44Å; Y349-Y351 HydrophobicContact CE1-CE1 4.08Å; Y351-L378 HydrophobicContact CD1-CB 3.78Å; Y351-L378 HydrophobicContact CE1-CB 4.08Å; Y351-L378 HydrophobicContact CE1-CD2 4.37Å
352	G	90.8	Very high	92	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	161.2	177.2	0	0	0	0	0	114.5	L378 M379 A380	G352-L378 PolarHBondContact N-O 3.08Å; G352-M379 WeakPolarHBondContact O-CA 3.48Å; G352-A380 PolarHBondContact O-N 3.26Å
353	T	85.2	Confident	91.7	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.037	17%	0.165	C	C	.	.			trans	-83.8	158.3	161.8	62.2	0	0	0	0	109.8	T355 M356 Y357	T353-T355 PolarHBondContact O-N 2.94Å; T353-T355 PolarHBondContact OG1-OG1 2.92Å; T353-M356 WeakPolarHBondContact O-CB 3.5Å; T353-M356 PolarHBondContact O-N 3.01Å; T353-M356 VanDerWaalsContact OG1-CG 3.32Å; T353-M356 WeakPolarHBondContact OG1-CG 3.5Å; T353-Y357 VanDerWaalsContact O-CD2 3.3Å; T353-Y357 WeakPolarHBondContact O-CD2 3.34Å; T353-Y357 PolarHBondContact O-N 3.2Å
354	P	80.9	Confident	91.3	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.045	19%	0.19	C	C	.	.	H	α-helix	trans	-44.6	-46.1	172.6	-34.4	38	0	0	0	114.5	M356 Y357 V358 M379 S382 P383 C384 L388	P354-M356 VanDerWaalsContact C-N 3.31Å; P354-M356 PolarHBondContact O-N 3.15Å; P354-Y357 PolarHBondContact O-N 3.18Å; P354-Y357 VanDerWaalsContact O-N 3.14Å; P354-V358 WeakPolarHBondContact O-CG2 3.41Å; P354-V358 PolarHBondContact O-N 3.01Å; P354-M379 HydrophobicContact CB-SD 4.23Å; P354-M379 HydrophobicContact CG-CG 3.94Å; P354-M379 HydrophobicContact CG-SD 3.87Å; P354-S382 WeakPolarHBondContact CD-OG 3.45Å; P354-S382 WeakPolarHBondContact CG-OG 3.26Å; P354-P383 WeakPolarHBondContact CG-O 3.49Å; P354-C384 HydrophobicContact CG-CB 4.24Å; P354-C384 VanDerWaalsContact CG-SG 3.53Å; P354-L388 HydrophobicContact CB-CD2 3.63Å; P354-L388 WeakPolarHBondContact O-CD2 3.29Å
355	T	77	Confident	91	Very high	31 Å²	31	33 Å²	33	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-39.1	176.8	41.2	0	0	0	0	112.9	T353 Y357 V358 D359 G595	T353-T355 PolarHBondContact O-N 2.94Å; T353-T355 PolarHBondContact OG1-OG1 2.92Å; T355-Y357 PolarHBondContact O-N 2.9Å; T355-V358 PolarHBondContact O-N 2.8Å; T355-D359 PolarHBondContact O-N 2.85Å; T355-G595 PolarHBondContact OG1-O 3.44Å
356	M	86.7	Confident	90.9	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.049	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-36	176.5	-63.7	178.3	176.4	0	0	112.9	P303 V304 Y333 T353 P354 M360	P303-M356 HydrophobicContact CB-SD 4.46Å; P303-M356 HydrophobicContact CG-SD 4.24Å; V304-M356 HydrophobicContact CG1-SD 4.15Å; Y333-M356 HydrophobicContact CD2-CB 4.34Å; Y333-M356 HydrophobicContact CD2-CE 3.77Å; Y333-M356 HydrophobicContact CD2-CG 3.63Å; Y333-M356 HydrophobicContact CD2-SD 3.8Å; Y333-M356 HydrophobicContact CE2-CB 3.53Å; Y333-M356 HydrophobicContact CE2-CE 4.42Å; Y333-M356 HydrophobicContact CE2-CG 3.3Å; Y333-M356 HydrophobicContact CE2-SD 3.92Å; Y333-M356 HydrophobicContact CG-CE 4.26Å; Y333-M356 HydrophobicContact CG-CG 4.42Å; Y333-M356 WeakPolarHBondContact OH-CA 3.38Å; Y333-M356 PolarHBondContact OH-O 2.87Å; Y333-M356 VanDerWaalsContact OH-O 3.05Å; T353-M356 WeakPolarHBondContact O-CB 3.5Å; T353-M356 PolarHBondContact O-N 3.01Å; T353-M356 VanDerWaalsContact OG1-CG 3.32Å; T353-M356 WeakPolarHBondContact OG1-CG 3.5Å; P354-M356 VanDerWaalsContact C-N 3.31Å; P354-M356 PolarHBondContact O-N 3.15Å; M356-M360 WeakPolarHBondContact O-CG 3.45Å; M356-M360 PolarHBondContact O-N 3.34Å; M356-M360 VanDerWaalsContact O-N 3.1Å
357	Y	88.1	Confident	90.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.1	-36.4	175.2	-71.3	-82.1	0	0	0	112	I350 T353 P354 T355 D359 M360 L361 L378 M379 V392 M401	I350-Y357 HydrophobicContact CG1-CE1 4.17Å; I350-Y357 HydrophobicContact CG2-CE1 3.98Å; I350-Y357 PolarHBondContact O-OH 2.77Å; T353-Y357 VanDerWaalsContact O-CD2 3.3Å; T353-Y357 WeakPolarHBondContact O-CD2 3.34Å; T353-Y357 PolarHBondContact O-N 3.2Å; P354-Y357 PolarHBondContact O-N 3.18Å; P354-Y357 VanDerWaalsContact O-N 3.14Å; T355-Y357 PolarHBondContact O-N 2.9Å; Y357-D359 VanDerWaalsContact C-N 3.35Å; Y357-M360 HydrophobicContact CD1-CE 3.65Å; Y357-M360 HydrophobicContact CE1-CE 4.03Å; Y357-M360 HydrophobicContact CG-CE 4.14Å; Y357-M360 PolarHBondContact O-N 3.03Å; Y357-L361 WeakPolarHBondContact O-CB 3.4Å; Y357-L361 VanDerWaalsContact O-CG 3.3Å; Y357-L361 WeakPolarHBondContact O-CG 3.5Å; Y357-L361 PolarHBondContact O-N 2.88Å; Y357-L378 PolarHBondContact OH-O 3.38Å; Y357-M379 HydrophobicContact CD1-CE 4.5Å; Y357-M379 HydrophobicContact CD2-CB 4.4Å; Y357-M379 HydrophobicContact CD2-CE 3.63Å; Y357-M379 HydrophobicContact CD2-CG 3.82Å; Y357-M379 HydrophobicContact CD2-SD 4.2Å; Y357-M379 HydrophobicContact CE2-CB 3.85Å; Y357-M379 HydrophobicContact CE2-CE 3.98Å; Y357-M379 HydrophobicContact CE2-CG 3.74Å; Y357-M379 HydrophobicContact CG-CE 3.91Å; Y357-V392 HydrophobicContact CD1-CG1 4.01Å; Y357-V392 HydrophobicContact CD1-CG2 3.8Å; Y357-V392 HydrophobicContact CE1-CG1 4.22Å; Y357-V392 HydrophobicContact CG-CG2 4.07Å; Y357-M401 HydrophobicContact CD1-CE 4.4Å; Y357-M401 HydrophobicContact CE1-CE 3.58Å
358	V	81.4	Confident	90.6	Very high	44 Å²	44	40 Å²	40	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-47.6	171.4	171.1	0	0	0	0	110.5	P354 T355 M360 L361 N362 L388	P354-V358 WeakPolarHBondContact O-CG2 3.41Å; P354-V358 PolarHBondContact O-N 3.01Å; T355-V358 PolarHBondContact O-N 2.8Å; V358-M360 PolarHBondContact O-N 2.96Å; V358-L361 PolarHBondContact O-N 3.12Å; V358-N362 VanDerWaalsContact CG1-ND2 3.34Å; V358-N362 WeakPolarHBondContact CG1-ND2 3.49Å; V358-N362 WeakPolarHBondContact O-CB 3.36Å; V358-N362 PolarHBondContact O-N 3.44Å; V358-N362 PolarHBondContact O-ND2 2.96Å; V358-L388 HydrophobicContact CG2-CD1 3.65Å; V358-L388 HydrophobicContact CG2-CD2 3.98Å; V358-L388 HydrophobicContact CG2-CG 4.41Å
359	D	85	Confident	90.6	Very high	74 Å²	74	39.8 Å²	39.8	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-34.6	179.6	-80.3	-7.9	0	0	0	113.1	Y333 T355 Y357 Q363	Y333-D359 HydrophobicContact CE1-CB 4.21Å; Y333-D359 WeakPolarHBondContact CE1-OD2 3.41Å; Y333-D359 WeakPolarHBondContact OH-CB 3.46Å; T355-D359 PolarHBondContact O-N 2.85Å; Y357-D359 VanDerWaalsContact C-N 3.35Å; D359-Q363 PolarHBondContact O-NE2 3.09Å
360	M	94.4	Very high	90.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-43.2	172.8	-73.4	-174.7	-60.2	0	0	112.4	N338 L339 M342 I350 M356 Y357 V358 N362 Q363 M396	N338-M360 HydrophobicContact CB-CG 4.48Å; N338-M360 HydrophobicContact CB-SD 3.68Å; L339-M360 HydrophobicContact CD2-CB 4.24Å; L339-M360 HydrophobicContact CD2-CG 4.34Å; L339-M360 HydrophobicContact CD2-SD 4.33Å; L339-M360 HydrophobicContact CG-CG 4.44Å; M342-M360 HydrophobicContact CE-SD 3.94Å; I350-M360 HydrophobicContact CG1-CE 4.28Å; M356-M360 WeakPolarHBondContact O-CG 3.45Å; M356-M360 PolarHBondContact O-N 3.34Å; M356-M360 VanDerWaalsContact O-N 3.1Å; Y357-M360 HydrophobicContact CD1-CE 3.65Å; Y357-M360 HydrophobicContact CE1-CE 4.03Å; Y357-M360 HydrophobicContact CG-CE 4.14Å; Y357-M360 PolarHBondContact O-N 3.03Å; V358-M360 PolarHBondContact O-N 2.96Å; M360-N362 PolarHBondContact O-N 2.81Å; M360-Q363 WeakPolarHBondContact O-CG 3.48Å; M360-Q363 PolarHBondContact O-N 2.85Å; M360-M396 HydrophobicContact CB-CE 4.13Å; M360-M396 HydrophobicContact CE-CE 4.35Å; M360-M396 HydrophobicContact SD-CE 4.44Å
361	L	91.2	Very high	90.6	Very high	19 Å²	19	44 Å²	44	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-30.8	176.6	-79.4	168.2	0	0	0	113	Y357 V358 Q363 L366 L388 K391 V392 Q395 M396	Y357-L361 WeakPolarHBondContact O-CB 3.4Å; Y357-L361 VanDerWaalsContact O-CG 3.3Å; Y357-L361 WeakPolarHBondContact O-CG 3.5Å; Y357-L361 PolarHBondContact O-N 2.88Å; V358-L361 PolarHBondContact O-N 3.12Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; L361-L366 HydrophobicContact CD2-CD2 4.23Å; L361-L388 HydrophobicContact CD1-CD1 3.52Å; L361-K391 HydrophobicContact CD1-CB 3.72Å; L361-K391 HydrophobicContact CD2-CB 4.34Å; L361-V392 HydrophobicContact CD1-CG2 3.8Å; L361-V392 HydrophobicContact CG-CG2 4.38Å; L361-Q395 HydrophobicContact CD2-CB 4.06Å; L361-M396 HydrophobicContact CD2-CG 3.66Å; L361-M396 HydrophobicContact CD2-SD 3.93Å; L361-M396 HydrophobicContact CG-CG 4.4Å; L361-M396 HydrophobicContact CG-SD 4.01Å
362	N	88.1	Confident	90.5	Very high	94 Å²	94	48.3 Å²	48.3	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.7	179.6	-68.8	-35.2	0	0	0	113.9	V358 M360	V358-N362 VanDerWaalsContact CG1-ND2 3.34Å; V358-N362 WeakPolarHBondContact CG1-ND2 3.49Å; V358-N362 WeakPolarHBondContact O-CB 3.36Å; V358-N362 PolarHBondContact O-N 3.44Å; V358-N362 PolarHBondContact O-ND2 2.96Å; M360-N362 PolarHBondContact O-N 2.81Å
363	Q	92.5	Very high	90.8	Very high	50 Å²	50	49.2 Å²	49.2	23%	0.234	29%	0.285	C	S	.	.			trans	-67.7	128.5	174.6	-64.7	-56.4	-55.2	0	0	110.3	L339 D359 M360 L361 D365 L366	L339-Q363 HydrophobicContact CD1-CB 3.8Å; L339-Q363 HydrophobicContact CD1-CG 3.65Å; D359-Q363 PolarHBondContact O-NE2 3.09Å; M360-Q363 WeakPolarHBondContact O-CG 3.48Å; M360-Q363 PolarHBondContact O-N 2.85Å; L361-Q363 VanDerWaalsContact C-N 3.34Å; Q363-D365 PolarHBondContact O-N 2.58Å; Q363-D365 VanDerWaalsContact O-N 3.12Å; Q363-L366 WeakPolarHBondContact O-CB 3.46Å; Q363-L366 PolarHBondContact O-N 2.83Å; Q363-L366 VanDerWaalsContact O-N 3.11Å
364	P	90.7	Very high	91.4	Very high	132 Å²	132	49 Å²	49	86%	0.857	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-17	-173.1	28.9	-36.5	0	0	0	113.3
365	D	92.7	Very high	92.1	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.193	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	8.7	179.3	61.1	-27.4	0	0	0	113.6	Q363 A367 K368 Y369	Q363-D365 PolarHBondContact O-N 2.58Å; Q363-D365 VanDerWaalsContact O-N 3.12Å; D365-A367 PolarHBondContact O-N 3.2Å; D365-A367 VanDerWaalsContact O-N 3.08Å; D365-K368 HydrophobicContact CB-CD 4.16Å; D365-K368 VanDerWaalsContact O-CB 3.31Å; D365-K368 WeakPolarHBondContact O-CB 3.49Å; D365-K368 PolarHBondContact O-N 2.93Å; D365-Y369 HydrophobicContact CB-CE2 4.28Å; D365-Y369 WeakPolarHBondContact O-CD2 3.23Å; D365-Y369 WeakPolarHBondContact O-CE2 3.28Å; D365-Y369 WeakPolarHBondContact OD2-CE2 3.46Å; D365-Y369 PolarHBondContact OD2-OH 2.65Å
366	L	95.3	Very high	93	Very high	24 Å²	24	52 Å²	52	13%	0.126	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-46.3	-44.5	-177.6	178.2	66.4	0	0	0	113.5	L339 L361 Q363 K368 Y369 L371 M396	L339-L366 HydrophobicContact CD1-CD1 3.88Å; L339-L366 HydrophobicContact CD2-CD1 3.86Å; L361-L366 HydrophobicContact CD2-CD2 4.23Å; Q363-L366 WeakPolarHBondContact O-CB 3.46Å; Q363-L366 PolarHBondContact O-N 2.83Å; Q363-L366 VanDerWaalsContact O-N 3.11Å; L366-K368 PolarHBondContact O-N 3.23Å; L366-Y369 PolarHBondContact O-N 3.46Å; L366-Y369 VanDerWaalsContact O-N 3.15Å; L366-L371 HydrophobicContact CD1-CD1 4.3Å; L366-M396 HydrophobicContact CD1-CG 4.45Å; L366-M396 HydrophobicContact CD2-CG 4.5Å
367	A	95.1	Very high	93.5	Very high	109 Å²	109	51.6 Å²	51.6	90%	0.901	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67.1	-4.3	-178.8	0	0	0	0	0	114.8	D365	D365-A367 PolarHBondContact O-N 3.2Å; D365-A367 VanDerWaalsContact O-N 3.08Å
368	K	96.1	Very high	94	Very high	172 Å²	172	51.7 Å²	51.7	75%	0.748	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-94.2	-13.3	175.1	-56.8	-176.4	-172.6	170.7	0	113.5	D365 L366	D365-K368 HydrophobicContact CB-CD 4.16Å; D365-K368 VanDerWaalsContact O-CB 3.31Å; D365-K368 WeakPolarHBondContact O-CB 3.49Å; D365-K368 PolarHBondContact O-N 2.93Å; L366-K368 PolarHBondContact O-N 3.23Å
369	Y	97.8	Very high	94.5	Very high	26 Å²	26	49.6 Å²	49.6	10%	0.102	28%	0.281	C	S	.	.	S	Bend	trans	-85.1	129.5	-178.1	-65.5	-92	0	0	0	111.1	K336 L339 D340 Q343 D365 L366 L371	K336-Y369 WeakPolarHBondContact CE-OH 3.42Å; K336-Y369 WeakPolarHBondContact CG-OH 3.43Å; K336-Y369 PolarHBondContact NZ-OH 2.87Å; L339-Y369 HydrophobicContact CB-CD1 3.63Å; L339-Y369 HydrophobicContact CB-CD2 4.09Å; L339-Y369 HydrophobicContact CB-CE1 3.58Å; L339-Y369 HydrophobicContact CB-CE2 4.05Å; L339-Y369 HydrophobicContact CB-CG 3.91Å; L339-Y369 HydrophobicContact CD1-CD2 3.82Å; L339-Y369 HydrophobicContact CD1-CE2 3.67Å; L339-Y369 HydrophobicContact CD1-CG 4.42Å; D340-Y369 WeakPolarHBondContact OD1-CE1 3.5Å; Q343-Y369 HydrophobicContact CB-CD1 4.49Å; D365-Y369 HydrophobicContact CB-CE2 4.28Å; D365-Y369 WeakPolarHBondContact O-CD2 3.23Å; D365-Y369 WeakPolarHBondContact O-CE2 3.28Å; D365-Y369 WeakPolarHBondContact OD2-CE2 3.46Å; D365-Y369 PolarHBondContact OD2-OH 2.65Å; L366-Y369 PolarHBondContact O-N 3.46Å; L366-Y369 VanDerWaalsContact O-N 3.15Å; Y369-L371 PolarHBondContact O-N 2.95Å; Y369-L371 VanDerWaalsContact O-N 3.14Å
370	D	97.6	Very high	94.7	Very high	72 Å²	72	46.7 Å²	46.7	39%	0.385	27%	0.266	S	S	.	.			trans	-75.6	95.5	165.8	178.2	20.3	0	0	0	110	Q343 S372	Q343-D370 HydrophobicContact CG-CB 4.3Å; D370-S372 WeakPolarHBondContact OD1-CB 3.28Å; D370-S372 PolarHBondContact OD1-N 3.37Å; D370-S372 PolarHBondContact OD1-OG 3.11Å; D370-S372 PolarHBondContact OD2-OG 3.15Å
371	L	97.9	Very high	93.8	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.089	28%	0.279	C	S	.	.			trans	-96.9	13.4	172.7	-55.4	-177.8	0	0	0	112.5	L339 M342 L366 Y369 T373 V374 M396	L339-L371 HydrophobicContact CD2-CD1 4.22Å; L339-L371 HydrophobicContact CD2-CD2 4.46Å; M342-L371 HydrophobicContact CB-CD2 3.97Å; M342-L371 HydrophobicContact CE-CD2 4.08Å; L366-L371 HydrophobicContact CD1-CD1 4.3Å; Y369-L371 PolarHBondContact O-N 2.95Å; Y369-L371 VanDerWaalsContact O-N 3.14Å; L371-T373 PolarHBondContact O-N 3.45Å; L371-V374 HydrophobicContact CB-CG2 4.26Å; L371-V374 HydrophobicContact CD2-CG2 4.39Å; L371-V374 PolarHBondContact O-N 3.08Å; L371-M396 HydrophobicContact CD1-CB 4.1Å; L371-M396 HydrophobicContact CD1-CE 3.92Å; L371-M396 HydrophobicContact CD1-CG 4.49Å
372	S	96.6	Very high	93	Very high	92 Å²	92	48.9 Å²	48.9	64%	0.643	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.3	-174.5	64.3	0	0	0	0	114.8	D370	D370-S372 WeakPolarHBondContact OD1-CB 3.28Å; D370-S372 PolarHBondContact OD1-N 3.37Å; D370-S372 PolarHBondContact OD1-OG 3.11Å; D370-S372 PolarHBondContact OD2-OG 3.15Å
373	T	97.5	Very high	92.5	Very high	19 Å²	19	49 Å²	49	12%	0.117	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-21.6	175.2	48.3	0	0	0	0	113.7	R346 C347 T348 L371 E375	R346-T373 HydrophobicContact CB-CG2 4.16Å; R346-T373 VanDerWaalsContact CZ-CG2 3.41Å; C347-T373 CarbonylContact O-C 3.45Å; C347-T373 PolarHBondContact O-OG1 3.26Å; T348-T373 VanDerWaalsContact CA-O 3.3Å; T348-T373 WeakPolarHBondContact CA-O 3.36Å; L371-T373 PolarHBondContact O-N 3.45Å; T373-E375 PolarHBondContact O-N 3.2Å
374	V	97.8	Very high	91.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	29%	0.29	C	S	.	.			trans	-80.9	80.3	-174.6	-166.5	0	0	0	0	110.1	M342 C347 I350 L371 G376 I398	M342-V374 HydrophobicContact CB-CG2 4.02Å; M342-V374 HydrophobicContact CG-CG2 4.21Å; M342-V374 HydrophobicContact SD-CG1 4.16Å; M342-V374 HydrophobicContact SD-CG2 3.89Å; C347-V374 WeakPolarHBondContact O-CA 3.35Å; C347-V374 VanDerWaalsContact O-CG2 3.31Å; C347-V374 WeakPolarHBondContact O-CG2 3.48Å; C347-V374 PolarHBondContact O-N 2.95Å; I350-V374 HydrophobicContact CB-CG1 4.39Å; I350-V374 HydrophobicContact CG2-CG1 3.87Å; L371-V374 HydrophobicContact CB-CG2 4.26Å; L371-V374 HydrophobicContact CD2-CG2 4.39Å; L371-V374 PolarHBondContact O-N 3.08Å; V374-G376 PolarHBondContact O-N 3.46Å; V374-I398 HydrophobicContact CB-CG1 4.13Å; V374-I398 HydrophobicContact CG1-CD1 3.83Å; V374-I398 HydrophobicContact CG1-CG1 3.78Å; V374-I398 HydrophobicContact CG1-CG2 4.37Å
375	E	94.8	Very high	91.1	Very high	101 Å²	101	43.1 Å²	43.1	47%	0.472	26%	0.26	S	S	.	.			trans	-65.1	-38.8	-176.9	-65.5	177.2	170.4	0	0	112.9	T348 T373 K399 E400	T348-E375 PolarHBondContact O-N 3.4Å; T373-E375 PolarHBondContact O-N 3.2Å; E375-K399 PolarHBondContact O-N 2.86Å; E375-E400 WeakPolarHBondContact O-CB 3.36Å; E375-E400 PolarHBondContact O-N 2.9Å
376	G	96.6	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	177	-172.8	0	0	0	0	0	115	T348 Y349 I350 V374 I398 E400	T348-G376 PolarHBondContact O-N 2.86Å; Y349-G376 WeakPolarHBondContact CA-O 3.28Å; Y349-G376 VanDerWaalsContact CD2-C 3.5Å; Y349-G376 VanDerWaalsContact CE2-C 3.42Å; Y349-G376 VanDerWaalsContact CE2-CA 3.48Å; I350-G376 PolarHBondContact N-O 2.68Å; V374-G376 PolarHBondContact O-N 3.46Å; G376-I398 WeakPolarHBondContact O-CG2 3.44Å; G376-E400 WeakPolarHBondContact CA-O 3.46Å
377	G	97	Very high	90	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	161.6	178.2	0	0	0	0	0	112.5	Y349 I350 E400 M401 T402	Y349-G377 VanDerWaalsContact CE1-CA 3.44Å; Y349-G377 VanDerWaalsContact CZ-N 3.33Å; Y349-G377 PolarHBondContact OH-O 3.2Å; I350-G377 CarbonylContact O-C 3.52Å; I350-G377 WeakPolarHBondContact O-CA 3.29Å; G377-E400 PolarHBondContact N-O 3.01Å; G377-M401 VanDerWaalsContact C-SD 3.6Å; G377-M401 VanDerWaalsContact O-SD 3.39Å; G377-T402 PolarHBondContact O-N 2.99Å; G377-T402 PolarHBondContact O-OG1 3.45Å
378	L	97.1	Very high	89.4	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.1	173.1	-179	52.8	0	0	0	108.8	V286 F310 Y349 I350 Y351 G352 Y357 T402 L416	V286-L378 HydrophobicContact CG1-CD2 4.37Å; F310-L378 HydrophobicContact CE2-CB 4.45Å; F310-L378 HydrophobicContact CE2-CD2 3.71Å; F310-L378 HydrophobicContact CE2-CG 3.9Å; F310-L378 HydrophobicContact CZ-CB 4.3Å; F310-L378 HydrophobicContact CZ-CD2 4.2Å; F310-L378 HydrophobicContact CZ-CG 3.85Å; Y349-L378 HydrophobicContact CE1-CB 4.13Å; I350-L378 PolarHBondContact O-N 2.97Å; Y351-L378 HydrophobicContact CD1-CB 3.78Å; Y351-L378 HydrophobicContact CE1-CB 4.08Å; Y351-L378 HydrophobicContact CE1-CD2 4.37Å; G352-L378 PolarHBondContact N-O 3.08Å; Y357-L378 PolarHBondContact OH-O 3.38Å; L378-T402 WeakPolarHBondContact CA-O 3.41Å; L378-L416 HydrophobicContact CD1-CD1 3.62Å
379	M	93.1	Very high	89.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.8	174.1	-165.5	-174.3	-55	0	0	109	G352 P354 Y357 C384 L388 V389 V392 M401 T402 I403 G404	G352-M379 WeakPolarHBondContact O-CA 3.48Å; P354-M379 HydrophobicContact CB-SD 4.23Å; P354-M379 HydrophobicContact CG-CG 3.94Å; P354-M379 HydrophobicContact CG-SD 3.87Å; Y357-M379 HydrophobicContact CD1-CE 4.5Å; Y357-M379 HydrophobicContact CD2-CB 4.4Å; Y357-M379 HydrophobicContact CD2-CE 3.63Å; Y357-M379 HydrophobicContact CD2-CG 3.82Å; Y357-M379 HydrophobicContact CD2-SD 4.2Å; Y357-M379 HydrophobicContact CE2-CB 3.85Å; Y357-M379 HydrophobicContact CE2-CE 3.98Å; Y357-M379 HydrophobicContact CE2-CG 3.74Å; Y357-M379 HydrophobicContact CG-CE 3.91Å; M379-C384 HydrophobicContact SD-CB 3.88Å; M379-L388 HydrophobicContact CE-CD2 4.18Å; M379-L388 HydrophobicContact CE-CG 4.19Å; M379-L388 HydrophobicContact SD-CD2 3.87Å; M379-L388 HydrophobicContact SD-CG 4.43Å; M379-V389 HydrophobicContact CE-CG2 4.41Å; M379-V392 HydrophobicContact CE-CG2 4.28Å; M379-M401 HydrophobicContact CB-SD 3.9Å; M379-M401 HydrophobicContact CE-CG 4.48Å; M379-M401 HydrophobicContact CE-SD 4.25Å; M379-T402 PolarHBondContact N-O 3.3Å; M379-I403 HydrophobicContact CB-CD1 3.85Å; M379-I403 WeakPolarHBondContact O-CA 3.28Å; M379-I403 HydrophobicContact SD-CD1 4.36Å; M379-G404 PolarHBondContact O-N 2.72Å
380	A	88.1	Confident	88.8	Confident	12 Å²	12	34.3 Å²	34.3	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	176.9	-174.5	0	0	0	0	0	112.5	F310 G352 S382 G404	F310-A380 HydrophobicContact CD1-CB 4.28Å; F310-A380 HydrophobicContact CE1-CB 3.78Å; F310-A380 HydrophobicContact CZ-CB 4.05Å; G352-A380 PolarHBondContact O-N 3.26Å; A380-S382 PolarHBondContact O-N 2.57Å; A380-G404 WeakPolarHBondContact CB-O 3.39Å
381	G	75.8	Confident	88.6	Confident	26 Å²	26	36 Å²	36	27%	0.268	21%	0.207	S	C	.	.	S	Bend	trans	91.8	-16.6	170.4	0	0	0	0	0	115.9	K596	G381-K596 WeakPolarHBondContact O-CD 3.32Å; G381-K596 WeakPolarHBondContact O-CE 3.24Å; G381-K596 PolarHBondContact O-NZ 3.3Å
382	S	75.2	Confident	88.4	Confident	40 Å²	40	35.2 Å²	35.2	28%	0.28	20%	0.203	S	C	.	.	S	Bend	trans	-150.6	167.3	168.5	67.1	0	0	0	0	110.2	P354 A380 C384	P354-S382 WeakPolarHBondContact CD-OG 3.45Å; P354-S382 WeakPolarHBondContact CG-OG 3.26Å; A380-S382 PolarHBondContact O-N 2.57Å; S382-C384 PolarHBondContact O-N 2.98Å; S382-C384 PolarHBondContact O-SG 2.87Å; S382-C384 VanDerWaalsContact O-SG 3.34Å
383	P	76.9	Confident	88.4	Confident	95 Å²	95	31.8 Å²	31.8	62%	0.617	18%	0.178	S	C	*	.			trans	-53.4	135.7	173.4	-26.5	36	0	0	0	111.9	P354	P354-P383 WeakPolarHBondContact CG-O 3.49Å
384	C	76	Confident	88.3	Confident	26 Å²	26	37.4 Å²	37.4	18%	0.176	21%	0.207	C	C	.	.			trans	-106.5	111	-174.1	-61.7	0	0	0	0	109.5	P354 M379 S382 I403	P354-C384 HydrophobicContact CG-CB 4.24Å; P354-C384 VanDerWaalsContact CG-SG 3.53Å; M379-C384 HydrophobicContact SD-CB 3.88Å; S382-C384 PolarHBondContact O-N 2.98Å; S382-C384 PolarHBondContact O-SG 2.87Å; S382-C384 VanDerWaalsContact O-SG 3.34Å; C384-I403 HydrophobicContact CB-CD1 4.22Å; C384-I403 HydrophobicContact CB-CG2 4.09Å
385	P	78.7	Confident	88.1	Confident	33 Å²	33	43 Å²	43	21%	0.214	23%	0.232	C	C	.	.			trans	-66.1	134.3	-178.9	-22.7	34.2	0	0	0	112.2	E387 L388 V389	P385-E387 VanDerWaalsContact C-N 3.28Å; P385-E387 PolarHBondContact O-N 3.02Å; P385-L388 HydrophobicContact CB-CB 4.19Å; P385-L388 HydrophobicContact CG-CB 4.49Å; P385-L388 WeakPolarHBondContact O-CB 3.45Å; P385-L388 PolarHBondContact O-N 3.37Å; P385-V389 PolarHBondContact O-N 3.21Å
386	P	82.3	Confident	88.2	Confident	19 Å²	19	38.6 Å²	38.6	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-50.1	-44.1	176.8	-32.4	36.4	0	0	0	114.4	L388 V389 K390 C427	P386-L388 VanDerWaalsContact C-N 3.28Å; P386-L388 PolarHBondContact O-N 2.98Å; P386-V389 PolarHBondContact O-N 3.03Å; P386-K390 WeakPolarHBondContact O-CG 3.41Å; P386-K390 PolarHBondContact O-N 2.85Å; P386-C427 HydrophobicContact CB-CB 3.87Å; P386-C427 HydrophobicContact CG-CB 4.4Å
387	E	81.6	Confident	88.1	Confident	80 Å²	80	40.4 Å²	40.4	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-67.9	-26.8	-179.6	-62.4	-49.4	123.2	0	0	113	P385 K390 K391	P385-E387 VanDerWaalsContact C-N 3.28Å; P385-E387 PolarHBondContact O-N 3.02Å; E387-K390 WeakPolarHBondContact OE1-CE 3.47Å; E387-K390 IonicContact OE1-NZ 2.66Å; E387-K390 PolarHBondContact OE1-NZ 3.4Å; E387-K390 IonicContact OE2-NZ 2.67Å; E387-K391 WeakPolarHBondContact O-CB 3.23Å; E387-K391 VanDerWaalsContact O-CG 3.23Å; E387-K391 WeakPolarHBondContact O-CG 3.39Å; E387-K391 PolarHBondContact O-N 2.93Å
388	L	83.3	Confident	88.1	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-47.3	171.4	177.5	62.3	0	0	0	110.5	P354 V358 L361 M379 P385 P386 K390 K391 V392	P354-L388 HydrophobicContact CB-CD2 3.63Å; P354-L388 WeakPolarHBondContact O-CD2 3.29Å; V358-L388 HydrophobicContact CG2-CD1 3.65Å; V358-L388 HydrophobicContact CG2-CD2 3.98Å; V358-L388 HydrophobicContact CG2-CG 4.41Å; L361-L388 HydrophobicContact CD1-CD1 3.52Å; M379-L388 HydrophobicContact CE-CD2 4.18Å; M379-L388 HydrophobicContact CE-CG 4.19Å; M379-L388 HydrophobicContact SD-CD2 3.87Å; M379-L388 HydrophobicContact SD-CG 4.43Å; P385-L388 HydrophobicContact CB-CB 4.19Å; P385-L388 HydrophobicContact CG-CB 4.49Å; P385-L388 WeakPolarHBondContact O-CB 3.45Å; P385-L388 PolarHBondContact O-N 3.37Å; P386-L388 VanDerWaalsContact C-N 3.28Å; P386-L388 PolarHBondContact O-N 2.98Å; L388-K390 VanDerWaalsContact C-N 3.32Å; L388-K390 PolarHBondContact O-N 3.14Å; L388-K391 PolarHBondContact O-N 2.7Å; L388-K391 VanDerWaalsContact O-N 3.16Å; L388-V392 HydrophobicContact CD1-CG2 4.2Å; L388-V392 WeakPolarHBondContact O-CG2 3.32Å; L388-V392 PolarHBondContact O-N 3.48Å
389	V	89.8	Confident	88	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-46.1	178.5	-177.2	0	0	0	0	110.6	M379 P385 P386 K391 V392 V393 M401 I403 K426	M379-V389 HydrophobicContact CE-CG2 4.41Å; P385-V389 PolarHBondContact O-N 3.21Å; P386-V389 PolarHBondContact O-N 3.03Å; V389-K391 PolarHBondContact O-N 3.25Å; V389-V392 PolarHBondContact O-N 3.38Å; V389-V393 WeakPolarHBondContact O-CG2 3.37Å; V389-V393 PolarHBondContact O-N 2.71Å; V389-M401 HydrophobicContact CG1-CG 4.26Å; V389-I403 HydrophobicContact CG2-CD1 3.79Å; V389-K426 HydrophobicContact CG1-CB 4.15Å
390	K	91.9	Very high	88.2	Confident	71 Å²	71	50.1 Å²	50.1	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-58.2	-47.1	174.4	-68	172	-170.5	171.9	0	112.1	P386 E387 L388 V393 L394 M423	P386-K390 WeakPolarHBondContact O-CG 3.41Å; P386-K390 PolarHBondContact O-N 2.85Å; E387-K390 WeakPolarHBondContact OE1-CE 3.47Å; E387-K390 IonicContact OE1-NZ 2.66Å; E387-K390 PolarHBondContact OE1-NZ 3.4Å; E387-K390 IonicContact OE2-NZ 2.67Å; L388-K390 VanDerWaalsContact C-N 3.32Å; L388-K390 PolarHBondContact O-N 3.14Å; K390-V393 PolarHBondContact O-N 3.36Å; K390-L394 VanDerWaalsContact O-CB 3.28Å; K390-L394 WeakPolarHBondContact O-CB 3.38Å; K390-L394 VanDerWaalsContact O-CG 3.24Å; K390-L394 WeakPolarHBondContact O-CG 3.27Å; K390-L394 PolarHBondContact O-N 2.84Å; K390-M423 HydrophobicContact CG-CG 4.39Å; K390-M423 HydrophobicContact CG-SD 3.97Å
391	K	91.8	Very high	88.6	Confident	107 Å²	107	49.5 Å²	49.5	47%	0.465	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-44.2	178.1	-76	172.2	-176.3	-179.3	0	112.1	L361 E387 L388 V389 L394 Q395	L361-K391 HydrophobicContact CD1-CB 3.72Å; L361-K391 HydrophobicContact CD2-CB 4.34Å; E387-K391 WeakPolarHBondContact O-CB 3.23Å; E387-K391 VanDerWaalsContact O-CG 3.23Å; E387-K391 WeakPolarHBondContact O-CG 3.39Å; E387-K391 PolarHBondContact O-N 2.93Å; L388-K391 PolarHBondContact O-N 2.7Å; L388-K391 VanDerWaalsContact O-N 3.16Å; V389-K391 PolarHBondContact O-N 3.25Å; K391-L394 PolarHBondContact O-N 2.84Å; K391-Q395 WeakPolarHBondContact O-CA 3.47Å; K391-Q395 WeakPolarHBondContact O-CB 3.46Å; K391-Q395 WeakPolarHBondContact O-CG 3.28Å; K391-Q395 PolarHBondContact O-N 3.24Å
392	V	94.9	Very high	89.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-47.5	177.8	178.2	0	0	0	0	111.2	Y357 L361 M379 L388 V389 L394 M396 G397 I398 M401	Y357-V392 HydrophobicContact CD1-CG1 4.01Å; Y357-V392 HydrophobicContact CD1-CG2 3.8Å; Y357-V392 HydrophobicContact CE1-CG1 4.22Å; Y357-V392 HydrophobicContact CG-CG2 4.07Å; L361-V392 HydrophobicContact CD1-CG2 3.8Å; L361-V392 HydrophobicContact CG-CG2 4.38Å; M379-V392 HydrophobicContact CE-CG2 4.28Å; L388-V392 HydrophobicContact CD1-CG2 4.2Å; L388-V392 WeakPolarHBondContact O-CG2 3.32Å; L388-V392 PolarHBondContact O-N 3.48Å; V389-V392 PolarHBondContact O-N 3.38Å; V392-L394 PolarHBondContact O-N 3.45Å; V392-M396 HydrophobicContact CG1-CB 4.39Å; V392-M396 HydrophobicContact CG1-SD 4.01Å; V392-M396 HydrophobicContact CG2-SD 4.29Å; V392-M396 WeakPolarHBondContact O-CA 3.36Å; V392-M396 WeakPolarHBondContact O-CB 3.49Å; V392-M396 PolarHBondContact O-N 2.95Å; V392-G397 PolarHBondContact O-N 3.45Å; V392-I398 HydrophobicContact CG1-CB 4.1Å; V392-I398 HydrophobicContact CG1-CD1 3.93Å; V392-I398 HydrophobicContact CG1-CG1 4.45Å; V392-M401 HydrophobicContact CG1-CE 3.64Å
393	V	96.1	Very high	90.6	Very high	20 Å²	20	46.9 Å²	46.9	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-43	178.6	171.6	0	0	0	0	112.1	V389 K390 G397 I398 M401 M423	V389-V393 WeakPolarHBondContact O-CG2 3.37Å; V389-V393 PolarHBondContact O-N 2.71Å; K390-V393 PolarHBondContact O-N 3.36Å; V393-G397 WeakPolarHBondContact O-CA 3.36Å; V393-G397 PolarHBondContact O-N 2.99Å; V393-I398 WeakPolarHBondContact CG2-O 3.48Å; V393-M401 HydrophobicContact CG2-CB 4.08Å; V393-M423 HydrophobicContact CB-CE 3.98Å; V393-M423 HydrophobicContact CG1-CE 3.74Å; V393-M423 HydrophobicContact CG2-CE 4.09Å
394	L	94.7	Very high	91.5	Very high	138 Å²	138	42.7 Å²	42.7	72%	0.723	22%	0.22	S	C	*	.	H	α-helix	trans	-86.6	-33.2	-172.7	-65.2	172.6	0	0	0	114.4	K390 K391 V392	K390-L394 VanDerWaalsContact O-CB 3.28Å; K390-L394 WeakPolarHBondContact O-CB 3.38Å; K390-L394 VanDerWaalsContact O-CG 3.24Å; K390-L394 WeakPolarHBondContact O-CG 3.27Å; K390-L394 PolarHBondContact O-N 2.84Å; K391-L394 PolarHBondContact O-N 2.84Å; V392-L394 PolarHBondContact O-N 3.45Å
395	Q	94.6	Very high	92.5	Very high	119 Å²	119	42.6 Å²	42.6	56%	0.556	22%	0.216	S	C	*	.	H	α-helix	trans	-101.9	-34.9	-174.5	-57.7	-176.5	-14.7	0	0	113.1	L361 K391	L361-Q395 HydrophobicContact CD2-CB 4.06Å; K391-Q395 WeakPolarHBondContact O-CA 3.47Å; K391-Q395 WeakPolarHBondContact O-CB 3.46Å; K391-Q395 WeakPolarHBondContact O-CG 3.28Å; K391-Q395 PolarHBondContact O-N 3.24Å
396	M	95.9	Very high	93.2	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.039	22%	0.22	C	C	.	.	S	Bend	trans	-92.9	-9.7	174.3	-54.9	179.9	70.4	0	0	112.6	L339 M342 M360 L361 L366 L371 V392 I398	L339-M396 HydrophobicContact CD2-CE 3.97Å; M342-M396 HydrophobicContact CE-CE 4.22Å; M360-M396 HydrophobicContact CB-CE 4.13Å; M360-M396 HydrophobicContact CE-CE 4.35Å; M360-M396 HydrophobicContact SD-CE 4.44Å; L361-M396 HydrophobicContact CD2-CG 3.66Å; L361-M396 HydrophobicContact CD2-SD 3.93Å; L361-M396 HydrophobicContact CG-CG 4.4Å; L361-M396 HydrophobicContact CG-SD 4.01Å; L366-M396 HydrophobicContact CD1-CG 4.45Å; L366-M396 HydrophobicContact CD2-CG 4.5Å; L371-M396 HydrophobicContact CD1-CB 4.1Å; L371-M396 HydrophobicContact CD1-CE 3.92Å; L371-M396 HydrophobicContact CD1-CG 4.49Å; V392-M396 HydrophobicContact CG1-CB 4.39Å; V392-M396 HydrophobicContact CG1-SD 4.01Å; V392-M396 HydrophobicContact CG2-SD 4.29Å; V392-M396 WeakPolarHBondContact O-CA 3.36Å; V392-M396 WeakPolarHBondContact O-CB 3.49Å; V392-M396 PolarHBondContact O-N 2.95Å; M396-I398 VanDerWaalsContact C-N 3.27Å; M396-I398 HydrophobicContact CB-CD1 3.83Å; M396-I398 HydrophobicContact CB-CG1 3.98Å; M396-I398 HydrophobicContact CE-CD1 4.04Å; M396-I398 PolarHBondContact O-N 3.06Å; M396-I398 HydrophobicContact SD-CD1 4.34Å
397	G	95.8	Very high	93.7	Very high	38 Å²	38	42 Å²	42	39%	0.392	22%	0.217	S	C	.	.			trans	77.5	5.2	178.9	0	0	0	0	0	115.3	V392 V393 K399	V392-G397 PolarHBondContact O-N 3.45Å; V393-G397 WeakPolarHBondContact O-CA 3.36Å; V393-G397 PolarHBondContact O-N 2.99Å; G397-K399 PolarHBondContact O-N 2.8Å
398	I	96.9	Very high	94.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-81	81.7	-172.9	-54.5	168.6	0	0	0	109.6	I350 V374 G376 V392 V393 M396 M401	I350-I398 HydrophobicContact CG2-CD1 3.86Å; V374-I398 HydrophobicContact CB-CG1 4.13Å; V374-I398 HydrophobicContact CG1-CD1 3.83Å; V374-I398 HydrophobicContact CG1-CG1 3.78Å; V374-I398 HydrophobicContact CG1-CG2 4.37Å; G376-I398 WeakPolarHBondContact O-CG2 3.44Å; V392-I398 HydrophobicContact CG1-CB 4.1Å; V392-I398 HydrophobicContact CG1-CD1 3.93Å; V392-I398 HydrophobicContact CG1-CG1 4.45Å; V393-I398 WeakPolarHBondContact CG2-O 3.48Å; M396-I398 VanDerWaalsContact C-N 3.27Å; M396-I398 HydrophobicContact CB-CD1 3.83Å; M396-I398 HydrophobicContact CB-CG1 3.98Å; M396-I398 HydrophobicContact CE-CD1 4.04Å; M396-I398 PolarHBondContact O-N 3.06Å; M396-I398 HydrophobicContact SD-CD1 4.34Å; I398-M401 HydrophobicContact CG2-CE 3.99Å
399	K	95.4	Very high	94.9	Very high	155 Å²	155	39 Å²	39	67%	0.674	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-38.6	-171.1	-67.4	167.5	-163.5	171	0	113	E375 G397 M401 K426	E375-K399 PolarHBondContact O-N 2.86Å; G397-K399 PolarHBondContact O-N 2.8Å; K399-M401 PolarHBondContact O-N 3.01Å; K399-M401 VanDerWaalsContact O-N 3.14Å; K399-K426 WeakPolarHBondContact O-CE 3.36Å
400	E	96.3	Very high	95.2	Very high	52 Å²	52	39 Å²	39	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	41.7	-175.7	-60.9	-170.7	-177.6	0	0	112.2	K295 E375 G376 G377 T402 P419	K295-E400 WeakPolarHBondContact CE-OE2 3.5Å; K295-E400 IonicContact NZ-OE2 3.63Å; K295-E400 PolarHBondContact NZ-OE2 2.84Å; E375-E400 WeakPolarHBondContact O-CB 3.36Å; E375-E400 PolarHBondContact O-N 2.9Å; G376-E400 WeakPolarHBondContact CA-O 3.46Å; G377-E400 PolarHBondContact N-O 3.01Å; E400-T402 PolarHBondContact O-N 2.9Å; E400-P419 HydrophobicContact CB-CB 3.96Å; E400-P419 HydrophobicContact CG-CB 4.05Å; E400-P419 WeakPolarHBondContact OE2-CB 3.45Å
401	M	96.9	Very high	95.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.3	171.2	-173.4	51.5	65.6	0	0	110.1	Y357 G377 M379 V389 V392 V393 I398 K399 I403 K426	Y357-M401 HydrophobicContact CD1-CE 4.4Å; Y357-M401 HydrophobicContact CE1-CE 3.58Å; G377-M401 VanDerWaalsContact C-SD 3.6Å; G377-M401 VanDerWaalsContact O-SD 3.39Å; M379-M401 HydrophobicContact CB-SD 3.9Å; M379-M401 HydrophobicContact CE-CG 4.48Å; M379-M401 HydrophobicContact CE-SD 4.25Å; V389-M401 HydrophobicContact CG1-CG 4.26Å; V392-M401 HydrophobicContact CG1-CE 3.64Å; V393-M401 HydrophobicContact CG2-CB 4.08Å; I398-M401 HydrophobicContact CG2-CE 3.99Å; K399-M401 PolarHBondContact O-N 3.01Å; K399-M401 VanDerWaalsContact O-N 3.14Å; M401-I403 HydrophobicContact CG-CD1 4.31Å; M401-K426 WeakPolarHBondContact O-CD 3.06Å; M401-K426 WeakPolarHBondContact O-CE 3.41Å; M401-K426 PolarHBondContact O-NZ 3.16Å
402	T	97	Very high	95.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.9	177.7	57.3	0	0	0	0	109.6	V290 Y349 G377 L378 M379 E400 G417 P419	V290-T402 HydrophobicContact CG1-CG2 4.33Å; Y349-T402 PolarHBondContact OH-OG1 2.61Å; G377-T402 PolarHBondContact O-N 2.99Å; G377-T402 PolarHBondContact O-OG1 3.45Å; L378-T402 WeakPolarHBondContact CA-O 3.41Å; M379-T402 PolarHBondContact N-O 3.3Å; E400-T402 PolarHBondContact O-N 2.9Å; T402-G417 WeakPolarHBondContact CG2-O 3.08Å; T402-P419 HydrophobicContact CG2-CG 4.15Å
403	I	95.6	Very high	95.6	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.6	176.2	-48.6	-53.6	0	0	0	108.2	M379 C384 V389 M401 G417 K426 V430	M379-I403 HydrophobicContact CB-CD1 3.85Å; M379-I403 WeakPolarHBondContact O-CA 3.28Å; M379-I403 HydrophobicContact SD-CD1 4.36Å; C384-I403 HydrophobicContact CB-CD1 4.22Å; C384-I403 HydrophobicContact CB-CG2 4.09Å; V389-I403 HydrophobicContact CG2-CD1 3.79Å; M401-I403 HydrophobicContact CG-CD1 4.31Å; I403-G417 PolarHBondContact O-N 2.96Å; I403-K426 VanDerWaalsContact CG1-O 3.23Å; I403-K426 WeakPolarHBondContact CG1-O 3.19Å; I403-V430 HydrophobicContact CG2-CG1 4.1Å
404	G	95.4	Very high	95.7	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	179.6	0	0	0	0	0	112.7	M379 A380	M379-G404 PolarHBondContact O-N 2.72Å; A380-G404 WeakPolarHBondContact CB-O 3.39Å
405	Y	96.9	Very high	95.9	Very high	23 Å²	23	24.2 Å²	24.2	9%	0.09	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.6	171.4	166.3	-93.9	0	0	0	111.8	T414 F415 V430 I458 T488 D490 I502	Y405-T414 PolarHBondContact O-N 3.39Å; Y405-F415 HydrophobicContact CD1-CB 4.48Å; Y405-F415 AromaticContact CD1-CD2 3.99Å; Y405-F415 HydrophobicContact CD1-CD2 3.99Å; Y405-F415 HydrophobicContact CE1-CD2 4.48Å; Y405-F415 PolarHBondContact N-O 3.36Å; Y405-F415 PolarHBondContact O-N 3.13Å; Y405-F415 VanDerWaalsContact O-N 3.12Å; Y405-V430 HydrophobicContact CG-CG2 4.22Å; Y405-I458 HydrophobicContact CE1-CD1 4.18Å; Y405-T488 WeakPolarHBondContact OH-CB 3.27Å; Y405-T488 WeakPolarHBondContact OH-CG2 3.29Å; Y405-D490 HydrophobicContact CE2-CB 4.37Å; Y405-D490 VanDerWaalsContact CE2-OD2 3.31Å; Y405-D490 WeakPolarHBondContact CE2-OD2 3.42Å; Y405-D490 PolarHBondContact OH-OD2 2.64Å; Y405-I502 HydrophobicContact CD1-CD1 3.95Å; Y405-I502 HydrophobicContact CD2-CD1 3.6Å; Y405-I502 HydrophobicContact CD2-CG1 3.74Å; Y405-I502 HydrophobicContact CE1-CD1 4.13Å; Y405-I502 HydrophobicContact CE2-CD1 3.79Å; Y405-I502 HydrophobicContact CE2-CG1 4.28Å; Y405-I502 HydrophobicContact CG-CD1 3.7Å; Y405-I502 HydrophobicContact CG-CG1 4.01Å
406	G	93.6	Very high	96	Very high	30 Å²	30	18.5 Å²	18.5	31%	0.309	11%	0.108	S	C	.	.			trans	165.3	-168.4	166	0	0	0	0	0	111.2	P412	G406-P412 CarbonylContact C-O 3.4Å; G406-P412 VanDerWaalsContact C-O 3.31Å; G406-P412 WeakPolarHBondContact CA-O 3.43Å
407	T	93.4	Very high	96.1	Very high	11 Å²	11	18.3 Å²	18.3	7%	0.067	11%	0.108	C	C	.	.			trans	-127.3	165.6	-172.8	62.5	0	0	0	0	110.5	E409 N410 P412 Y486	T407-E409 WeakPolarHBondContact CB-OE2 3.22Å; T407-E409 PolarHBondContact O-N 2.69Å; T407-N410 PolarHBondContact O-N 3.46Å; T407-N410 PolarHBondContact OG1-N 2.58Å; T407-P412 PolarHBondContact N-O 2.86Å; T407-P412 VanDerWaalsContact N-O 3.09Å; T407-P412 CarbonylContact O-C 3.16Å; T407-P412 WeakPolarHBondContact O-CA 3.48Å; T407-P412 WeakPolarHBondContact O-CB 3.48Å; T407-P412 VanDerWaalsContact O-O 3.13Å; T407-Y486 HydrophobicContact CG2-CE1 4.39Å
408	T	93	Very high	96.1	Very high	10 Å²	10	17 Å²	17	6%	0.061	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-58.5	-37.7	171.9	-68	0	0	0	0	110.8	Q260 T262 A272 H308 N410 S411	Q260-T408 HydrophobicContact CB-CG2 3.45Å; Q260-T408 VanDerWaalsContact CB-CG2 3.45Å; Q260-T408 HydrophobicContact CG-CG2 4.27Å; T262-T408 HydrophobicContact CG2-CG2 3.86Å; A272-T408 HydrophobicContact CB-CG2 4.04Å; H308-T408 PolarHBondContact NE2-OG1 3.49Å; T408-N410 PolarHBondContact O-N 2.96Å; T408-S411 PolarHBondContact O-N 3.01Å
409	E	97	Very high	96	Very high	18 Å²	18	17.5 Å²	17.5	8%	0.084	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-65.9	-13.7	175.8	-59.9	93.8	142.7	0	0	114.3	A272 T407 V465 M466 Y469 Y486	A272-E409 HydrophobicContact CB-CG 4.12Å; T407-E409 WeakPolarHBondContact CB-OE2 3.22Å; T407-E409 PolarHBondContact O-N 2.69Å; E409-V465 CarbonylContact O-C 3.55Å; E409-V465 WeakPolarHBondContact O-CA 3.44Å; E409-M466 HydrophobicContact CB-CG 4.03Å; E409-M466 HydrophobicContact CB-SD 3.86Å; E409-M466 HydrophobicContact CG-CE 4.18Å; E409-M466 HydrophobicContact CG-CG 4.31Å; E409-M466 HydrophobicContact CG-SD 3.45Å; E409-M466 WeakPolarHBondContact CG-SD 3.38Å; E409-M466 PolarHBondContact O-N 2.79Å; E409-Y469 HydrophobicContact CG-CE1 3.87Å; E409-Y469 PolarHBondContact OE1-OH 3.42Å; E409-Y486 HydrophobicContact CB-CD2 4.46Å; E409-Y486 HydrophobicContact CB-CE1 3.98Å; E409-Y486 HydrophobicContact CB-CE2 3.78Å; E409-Y486 HydrophobicContact CG-CE2 4Å; E409-Y486 PolarHBondContact OE1-OH 3.46Å
410	N	97.1	Very high	95.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-109.8	18.6	175	-69.5	-8.2	0	0	0	112.9	N282 T407 T408 P412 V413 T414 C464 Y486	N282-N410 PolarHBondContact ND2-O 2.89Å; T407-N410 PolarHBondContact O-N 3.46Å; T407-N410 PolarHBondContact OG1-N 2.58Å; T408-N410 PolarHBondContact O-N 2.96Å; N410-P412 CarbonylContact O-C 3.59Å; N410-P412 VanDerWaalsContact O-C 3.22Å; N410-P412 VanDerWaalsContact O-CA 3.29Å; N410-P412 WeakPolarHBondContact O-CA 3.4Å; N410-V413 PolarHBondContact O-N 2.97Å; N410-T414 WeakPolarHBondContact CB-OG1 3.44Å; N410-T414 PolarHBondContact ND2-OG1 3.39Å; N410-C464 CarbonylContact C-O 3.56Å; N410-C464 WeakPolarHBondContact CA-O 3.33Å; N410-C464 WeakPolarHBondContact O-CB 3.47Å; N410-Y486 VanDerWaalsContact OD1-CD1 3.27Å; N410-Y486 WeakPolarHBondContact OD1-CD1 3.47Å
411	S	93.7	Very high	95.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	59.9	29	163	-49.3	0	0	0	0	122.7	L274 N278 N282 V313 T408 C464	L274-S411 WeakPolarHBondContact CD2-OG 3.08Å; N278-S411 WeakPolarHBondContact CB-OG 3.39Å; N282-S411 WeakPolarHBondContact CB-O 3.24Å; N282-S411 PolarHBondContact OD1-O 3.14Å; V313-S411 WeakPolarHBondContact CG1-O 3.33Å; T408-S411 PolarHBondContact O-N 3.01Å; S411-C464 VanDerWaalsContact CB-O 3.25Å; S411-C464 WeakPolarHBondContact CB-O 3.47Å; S411-C464 PolarHBondContact N-O 2.88Å; S411-C464 PolarHBondContact OG-O 3.04Å
412	P	94.6	Very high	95.7	Very high	11 Å²	11	19 Å²	19	7%	0.071	11%	0.112	C	C	.	.	S	Bend	cis	-111.2	-12.8	-10	38.1	-30.4	0	0	0	115.6	N282 C309 G406 T407 N410	N282-P412 VanDerWaalsContact OD1-CD 3.26Å; N282-P412 WeakPolarHBondContact OD1-CD 3.33Å; C309-P412 HydrophobicContact CB-CB 3.67Å; C309-P412 HydrophobicContact CB-CG 3.9Å; C309-P412 WeakPolarHBondContact SG-CB 3.31Å; G406-P412 CarbonylContact C-O 3.4Å; G406-P412 VanDerWaalsContact C-O 3.31Å; G406-P412 WeakPolarHBondContact CA-O 3.43Å; T407-P412 PolarHBondContact N-O 2.86Å; T407-P412 VanDerWaalsContact N-O 3.09Å; T407-P412 CarbonylContact O-C 3.16Å; T407-P412 WeakPolarHBondContact O-CA 3.48Å; T407-P412 WeakPolarHBondContact O-CB 3.48Å; T407-P412 VanDerWaalsContact O-O 3.13Å; N410-P412 CarbonylContact O-C 3.59Å; N410-P412 VanDerWaalsContact O-C 3.22Å; N410-P412 VanDerWaalsContact O-CA 3.29Å; N410-P412 WeakPolarHBondContact O-CA 3.4Å
413	V	97.7	Very high	95.6	Very high	15 Å²	15	22.3 Å²	22.3	9%	0.091	13%	0.128	C	C	.	.			trans	-90.1	143.5	-169.5	-174.8	0	0	0	0	110.5	N282 V286 N410 F415 L416 L434	N282-V413 PolarHBondContact ND2-O 2.81Å; N282-V413 PolarHBondContact OD1-N 3.14Å; V286-V413 HydrophobicContact CG2-CB 3.66Å; V286-V413 HydrophobicContact CG2-CG1 4.06Å; V286-V413 HydrophobicContact CG2-CG2 3.77Å; N410-V413 PolarHBondContact O-N 2.97Å; V413-F415 WeakPolarHBondContact CG1-O 3.37Å; V413-L416 HydrophobicContact CG1-CB 3.88Å; V413-L434 HydrophobicContact CB-CD1 4.04Å; V413-L434 HydrophobicContact CG1-CD1 4.08Å; V413-L434 HydrophobicContact CG1-CG 4.4Å; V413-L434 VanDerWaalsContact O-CD1 3.3Å; V413-L434 WeakPolarHBondContact O-CD1 3.04Å
414	T	97.9	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-126.1	-45.1	177	-54.6	0	0	0	0	111.5	Y405 N410 I433 L434 V437 V460	Y405-T414 PolarHBondContact O-N 3.39Å; N410-T414 WeakPolarHBondContact CB-OG1 3.44Å; N410-T414 PolarHBondContact ND2-OG1 3.39Å; T414-I433 HydrophobicContact CG2-CD1 3.96Å; T414-L434 PolarHBondContact O-N 3.34Å; T414-V437 HydrophobicContact CG2-CG1 4.2Å; T414-V460 HydrophobicContact CG2-CB 4.37Å; T414-V460 HydrophobicContact CG2-CG1 3.62Å; T414-V460 HydrophobicContact CG2-CG2 3.74Å
415	F	98.4	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.3	172.9	-71	-96.8	0	0	0	108.5	V61 Y405 V413 V430 Y432 I433 A439 I458 L494 C500	V61-F415 HydrophobicContact CG1-CE1 4.34Å; V61-F415 HydrophobicContact CG1-CZ 4.22Å; Y405-F415 HydrophobicContact CD1-CB 4.48Å; Y405-F415 AromaticContact CD1-CD2 3.99Å; Y405-F415 HydrophobicContact CD1-CD2 3.99Å; Y405-F415 HydrophobicContact CE1-CD2 4.48Å; Y405-F415 PolarHBondContact N-O 3.36Å; Y405-F415 PolarHBondContact O-N 3.13Å; Y405-F415 VanDerWaalsContact O-N 3.12Å; V413-F415 WeakPolarHBondContact CG1-O 3.37Å; F415-V430 CarbonylContact C-O 3.54Å; F415-V430 HydrophobicContact CB-CG2 3.9Å; F415-V430 WeakPolarHBondContact CB-O 3.34Å; F415-Y432 WeakPolarHBondContact CA-O 3.43Å; F415-Y432 VanDerWaalsContact CD1-C 3.44Å; F415-I433 HydrophobicContact CD1-CB 4.33Å; F415-I433 HydrophobicContact CD1-CD1 4.46Å; F415-I433 HydrophobicContact CD2-CD1 4.29Å; F415-I433 HydrophobicContact CE1-CB 3.96Å; F415-I433 HydrophobicContact CE1-CD1 3.99Å; F415-I433 HydrophobicContact CE2-CD1 3.83Å; F415-I433 HydrophobicContact CZ-CB 4.47Å; F415-I433 HydrophobicContact CZ-CD1 3.68Å; F415-A439 HydrophobicContact CE2-CB 3.79Å; F415-A439 HydrophobicContact CZ-CB 3.58Å; F415-I458 HydrophobicContact CE2-CG2 4.46Å; F415-L494 HydrophobicContact CE1-CD2 3.8Å; F415-L494 HydrophobicContact CZ-CD2 4Å; F415-C500 HydrophobicContact CD1-CB 3.43Å; F415-C500 VanDerWaalsContact CD1-CB 3.43Å; F415-C500 HydrophobicContact CD2-CB 4.26Å; F415-C500 HydrophobicContact CE1-CB 3.51Å; F415-C500 HydrophobicContact CE2-CB 4.29Å; F415-C500 HydrophobicContact CG-CB 3.84Å; F415-C500 HydrophobicContact CZ-CB 3.93Å
416	L	98.4	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.5	-176.6	178.5	58.6	0	0	0	110.9	V286 R289 V290 L378 V413 V430 Y432 L434	V286-L416 HydrophobicContact CB-CD2 4.13Å; V286-L416 HydrophobicContact CG1-CD2 3.89Å; V286-L416 HydrophobicContact CG2-CD2 4.05Å; R289-L416 HydrophobicContact CB-CD2 4.03Å; R289-L416 HydrophobicContact CG-CD2 4.23Å; R289-L416 HydrophobicContact CG-CG 4.4Å; R289-L416 PolarHBondContact NH1-O 3.5Å; V290-L416 HydrophobicContact CG1-CD2 4.29Å; L378-L416 HydrophobicContact CD1-CD1 3.62Å; V413-L416 HydrophobicContact CG1-CB 3.88Å; L416-V430 WeakPolarHBondContact CA-O 3.02Å; L416-V430 PolarHBondContact N-O 3.47Å; L416-Y432 PolarHBondContact N-O 3.45Å; L416-Y432 PolarHBondContact O-N 2.91Å; L416-L434 HydrophobicContact CB-CD2 4.06Å; L416-L434 HydrophobicContact CD2-CD2 4.28Å
417	G	97.3	Very high	95.1	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	14%	0.143	C	C	.	.			trans	-67.5	159.1	173.5	0	0	0	0	0	112.7	T402 I403 D421	T402-G417 WeakPolarHBondContact CG2-O 3.08Å; I403-G417 PolarHBondContact O-N 2.96Å; G417-D421 WeakPolarHBondContact CA-OD2 3.19Å
418	C	95.6	Very high	94.8	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.061	16%	0.161	C	C	.	.			trans	-97.2	145.6	175.9	-174	0	0	0	0	111.2	P50 L420 D421 K426 Y432	P50-C418 HydrophobicContact CG-CB 3.8Å; P50-C418 WeakPolarHBondContact CG-SG 3.49Å; C418-L420 PolarHBondContact O-N 3.23Å; C418-L420 VanDerWaalsContact O-N 3.16Å; C418-L420 PolarHBondContact SG-N 2.88Å; C418-D421 PolarHBondContact N-OD2 3.4Å; C418-D421 VanDerWaalsContact O-CB 3.29Å; C418-D421 WeakPolarHBondContact O-CB 3.37Å; C418-D421 PolarHBondContact O-N 3.26Å; C418-K426 PolarHBondContact O-NZ 3.42Å; C418-K426 VanDerWaalsContact O-NZ 3.1Å; C418-Y432 HydrophobicContact CB-CE1 4.12Å
419	P	95.2	Very high	94.9	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.071	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-41.5	164.4	-35.6	40.1	0	0	0	114.1	R289 E400 T402 D421 K426	R289-P419 VanDerWaalsContact O-CD 3.28Å; R289-P419 WeakPolarHBondContact O-CD 3.46Å; E400-P419 HydrophobicContact CB-CB 3.96Å; E400-P419 HydrophobicContact CG-CB 4.05Å; E400-P419 WeakPolarHBondContact OE2-CB 3.45Å; T402-P419 HydrophobicContact CG2-CG 4.15Å; P419-D421 VanDerWaalsContact C-N 3.33Å; P419-D421 PolarHBondContact O-N 2.99Å; P419-K426 PolarHBondContact O-NZ 2.86Å
420	L	92.7	Very high	94.8	Very high	138 Å²	138	31.7 Å²	31.7	72%	0.723	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.8	-177.4	-56.1	178.4	0	0	0	114.9	C418	C418-L420 PolarHBondContact O-N 3.23Å; C418-L420 VanDerWaalsContact O-N 3.16Å; C418-L420 PolarHBondContact SG-N 2.88Å
421	D	95.4	Very high	94.8	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.07	16%	0.163	C	C	.	.			trans	-59.2	140.3	177.2	-80.4	-22	0	0	0	111.4	G417 C418 P419 R425 K426 Y499	G417-D421 WeakPolarHBondContact CA-OD2 3.19Å; C418-D421 PolarHBondContact N-OD2 3.4Å; C418-D421 VanDerWaalsContact O-CB 3.29Å; C418-D421 WeakPolarHBondContact O-CB 3.37Å; C418-D421 PolarHBondContact O-N 3.26Å; P419-D421 VanDerWaalsContact C-N 3.33Å; P419-D421 PolarHBondContact O-N 2.99Å; D421-R425 HydrophobicContact CB-CB 3.81Å; D421-K426 HydrophobicContact CB-CG 3.97Å; D421-K426 WeakPolarHBondContact O-CE 3.42Å; D421-K426 PolarHBondContact O-NZ 3.19Å; D421-Y499 PolarHBondContact OD1-OH 3.11Å
422	N	94.9	Very high	95	Very high	89 Å²	89	31.9 Å²	31.9	48%	0.476	16%	0.163	S	C	.	.			trans	-68.3	167.6	173.1	76.5	11.2	0	0	0	111.3	E424 R425 K426	N422-E424 VanDerWaalsContact C-N 3.27Å; N422-E424 PolarHBondContact O-N 2.86Å; N422-E424 WeakPolarHBondContact OD1-CB 3.47Å; N422-E424 PolarHBondContact OD1-N 3.18Å; N422-R425 PolarHBondContact O-N 3.2Å; N422-R425 WeakPolarHBondContact OD1-CG 3.23Å; N422-R425 PolarHBondContact OD1-N 2.73Å; N422-K426 WeakPolarHBondContact O-CG 3.15Å; N422-K426 PolarHBondContact O-N 3.44Å
423	M	94.7	Very high	95.2	Very high	69 Å²	69	31.4 Å²	31.4	34%	0.34	16%	0.16	S	C	.	.	H	α-helix	trans	-60	-35.4	-176.9	-172.6	61.1	68.3	0	0	113.1	K390 V393 K426 C427	K390-M423 HydrophobicContact CG-CG 4.39Å; K390-M423 HydrophobicContact CG-SD 3.97Å; V393-M423 HydrophobicContact CB-CE 3.98Å; V393-M423 HydrophobicContact CG1-CE 3.74Å; V393-M423 HydrophobicContact CG2-CE 4.09Å; M423-K426 PolarHBondContact O-N 3.24Å; M423-C427 VanDerWaalsContact O-CB 3.23Å; M423-C427 WeakPolarHBondContact O-CB 3.42Å; M423-C427 PolarHBondContact O-N 3.05Å; M423-C427 PolarHBondContact O-SG 3.4Å
424	E	93.8	Very high	95.2	Very high	112 Å²	112	30.7 Å²	30.7	52%	0.523	16%	0.156	S	C	.	.	H	α-helix	trans	-60.6	-49.7	175.7	-176.5	-168.8	162.7	0	0	111.1	N422 K426 C427 E428	N422-E424 VanDerWaalsContact C-N 3.27Å; N422-E424 PolarHBondContact O-N 2.86Å; N422-E424 WeakPolarHBondContact OD1-CB 3.47Å; N422-E424 PolarHBondContact OD1-N 3.18Å; E424-K426 PolarHBondContact O-N 2.9Å; E424-C427 PolarHBondContact O-N 3.02Å; E424-E428 HydrophobicContact CG-CG 4.49Å; E424-E428 WeakPolarHBondContact O-CB 3.41Å; E424-E428 WeakPolarHBondContact O-CG 3.38Å; E424-E428 PolarHBondContact O-N 3.08Å
425	R	95	Very high	95.2	Very high	40 Å²	40	30.8 Å²	30.8	15%	0.151	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-45.5	175.3	-69.2	-52.4	-170	-178	6.9	112.2	D421 N422 C427 T429 D495 Y499	D421-R425 HydrophobicContact CB-CB 3.81Å; N422-R425 PolarHBondContact O-N 3.2Å; N422-R425 WeakPolarHBondContact OD1-CG 3.23Å; N422-R425 PolarHBondContact OD1-N 2.73Å; R425-C427 VanDerWaalsContact C-N 3.26Å; R425-C427 PolarHBondContact O-N 3.49Å; R425-T429 PolarHBondContact O-N 3.4Å; R425-T429 PolarHBondContact O-OG1 3.35Å; R425-D495 IonicContact CZ-OD2 3.2Å; R425-D495 IonicContact NH1-OD2 2.71Å; R425-D495 PolarHBondContact NH1-OD2 3.11Å; R425-D495 IonicContact NH2-OD2 2.82Å; R425-D495 PolarHBondContact NH2-OD2 2.68Å; R425-Y499 HydrophobicContact CB-CE1 4.18Å; R425-Y499 HydrophobicContact CG-CD1 4.44Å; R425-Y499 HydrophobicContact CG-CE1 4.06Å
426	K	93	Very high	95.1	Very high	14 Å²	14	33.2 Å²	33.2	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-29.1	176.9	-66.8	-173.2	-172.1	-50.1	0	113.3	V389 K399 M401 I403 C418 P419 D421 N422 M423 E424	V389-K426 HydrophobicContact CG1-CB 4.15Å; K399-K426 WeakPolarHBondContact O-CE 3.36Å; M401-K426 WeakPolarHBondContact O-CD 3.06Å; M401-K426 WeakPolarHBondContact O-CE 3.41Å; M401-K426 PolarHBondContact O-NZ 3.16Å; I403-K426 VanDerWaalsContact CG1-O 3.23Å; I403-K426 WeakPolarHBondContact CG1-O 3.19Å; C418-K426 PolarHBondContact O-NZ 3.42Å; C418-K426 VanDerWaalsContact O-NZ 3.1Å; P419-K426 PolarHBondContact O-NZ 2.86Å; D421-K426 HydrophobicContact CB-CG 3.97Å; D421-K426 WeakPolarHBondContact O-CE 3.42Å; D421-K426 PolarHBondContact O-NZ 3.19Å; N422-K426 WeakPolarHBondContact O-CG 3.15Å; N422-K426 PolarHBondContact O-N 3.44Å; M423-K426 PolarHBondContact O-N 3.24Å; E424-K426 PolarHBondContact O-N 2.9Å
427	C	87.4	Confident	95.1	Very high	16 Å²	16	33.2 Å²	33.2	11%	0.108	17%	0.167	C	C	.	.	H	α-helix	trans	-91.4	-39.7	-178.1	-77.9	0	0	0	0	113.7	P386 M423 E424 R425	P386-C427 HydrophobicContact CB-CB 3.87Å; P386-C427 HydrophobicContact CG-CB 4.4Å; M423-C427 VanDerWaalsContact O-CB 3.23Å; M423-C427 WeakPolarHBondContact O-CB 3.42Å; M423-C427 PolarHBondContact O-N 3.05Å; M423-C427 PolarHBondContact O-SG 3.4Å; E424-C427 PolarHBondContact O-N 3.02Å; R425-C427 VanDerWaalsContact C-N 3.26Å; R425-C427 PolarHBondContact O-N 3.49Å
428	E	87.4	Confident	95.2	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.453	17%	0.172	S	C	.	.	H	α-helix	trans	-102.6	-6.6	-167.7	-59.6	-164.4	179	0	0	114.6	E424 K501	E424-E428 HydrophobicContact CG-CG 4.49Å; E424-E428 WeakPolarHBondContact O-CB 3.41Å; E424-E428 WeakPolarHBondContact O-CG 3.38Å; E424-E428 PolarHBondContact O-N 3.08Å; E428-K501 VanDerWaalsContact O-CD 3.29Å; E428-K501 WeakPolarHBondContact O-CD 3.32Å; E428-K501 VanDerWaalsContact O-CE 3.25Å; E428-K501 WeakPolarHBondContact O-CE 3.21Å; E428-K501 VanDerWaalsContact O-CG 3.25Å; E428-K501 WeakPolarHBondContact O-CG 3.14Å; E428-K501 IonicContact OE2-NZ 2.77Å; E428-K501 PolarHBondContact OE2-NZ 3.02Å
429	T	95.2	Very high	95.3	Very high	9 Å²	9	34 Å²	34	6%	0.055	17%	0.169	C	C	.	.			trans	-134.4	163.7	-173.7	79.2	0	0	0	0	111.4	R425 G431 Y499 C500 K501	R425-T429 PolarHBondContact O-N 3.4Å; R425-T429 PolarHBondContact O-OG1 3.35Å; T429-G431 VanDerWaalsContact C-N 3.32Å; T429-G431 PolarHBondContact OG1-N 3.3Å; T429-Y499 HydrophobicContact CG2-CD1 4.32Å; T429-Y499 WeakPolarHBondContact OG1-CD1 3.24Å; T429-C500 VanDerWaalsContact CA-O 3.32Å; T429-C500 WeakPolarHBondContact CA-O 3.32Å; T429-C500 VanDerWaalsContact CB-O 3.32Å; T429-C500 WeakPolarHBondContact CB-O 3.35Å; T429-K501 HydrophobicContact CG2-CG 4.32Å
430	V	95.9	Very high	95.4	Very high	18 Å²	18	35 Å²	35	11%	0.109	17%	0.173	C	C	.	.			trans	-100.5	24.3	167.8	-62.8	0	0	0	0	111.5	I403 Y405 F415 L416 C500 I502	I403-V430 HydrophobicContact CG2-CG1 4.1Å; Y405-V430 HydrophobicContact CG-CG2 4.22Å; F415-V430 CarbonylContact C-O 3.54Å; F415-V430 HydrophobicContact CB-CG2 3.9Å; F415-V430 WeakPolarHBondContact CB-O 3.34Å; L416-V430 WeakPolarHBondContact CA-O 3.02Å; L416-V430 PolarHBondContact N-O 3.47Å; V430-C500 HydrophobicContact CG2-CB 3.96Å; V430-C500 WeakPolarHBondContact CG2-O 3.28Å; V430-C500 PolarHBondContact N-O 3.16Å; V430-I502 HydrophobicContact CB-CG1 4.39Å; V430-I502 HydrophobicContact CG1-CG1 3.72Å; V430-I502 HydrophobicContact CG2-CD1 4Å; V430-I502 HydrophobicContact CG2-CG1 3.77Å
431	G	97.2	Very high	95.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	14%	0.138	C	C	.	.			trans	76.3	-161.3	-175.5	0	0	0	0	0	114.6	T429 Y499 C500	T429-G431 VanDerWaalsContact C-N 3.32Å; T429-G431 PolarHBondContact OG1-N 3.3Å; G431-Y499 CarbonylContact O-C 3.55Å; G431-Y499 WeakPolarHBondContact O-CA 3.48Å; G431-C500 PolarHBondContact O-N 2.7Å
432	Y	97.7	Very high	95.8	Very high	4 Å²	4	28 Å²	28	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	166.7	-178.2	58	-84.8	0	0	0	111.7	V47 P50 P51 R289 F415 L416 C418 G498 Y499	V47-Y432 HydrophobicContact CB-CD2 4.07Å; V47-Y432 HydrophobicContact CB-CE2 3.85Å; V47-Y432 HydrophobicContact CG1-CD2 3.76Å; V47-Y432 HydrophobicContact CG1-CE2 4.06Å; P50-Y432 HydrophobicContact CB-CE1 4.49Å; P51-Y432 HydrophobicContact CG-CD1 4.35Å; P51-Y432 HydrophobicContact CG-CD2 3.96Å; P51-Y432 HydrophobicContact CG-CE2 4.42Å; P51-Y432 HydrophobicContact CG-CG 3.93Å; R289-Y432 VanDerWaalsContact NH1-CD2 3.28Å; R289-Y432 PolarHBondContact NH1-O 3.24Å; F415-Y432 WeakPolarHBondContact CA-O 3.43Å; F415-Y432 VanDerWaalsContact CD1-C 3.44Å; L416-Y432 PolarHBondContact N-O 3.45Å; L416-Y432 PolarHBondContact O-N 2.91Å; C418-Y432 HydrophobicContact CB-CE1 4.12Å; Y432-G498 WeakPolarHBondContact CA-O 3.38Å; Y432-Y499 AromaticContact CD1-CE1 3.89Å; Y432-Y499 HydrophobicContact CD1-CE1 3.89Å; Y432-Y499 HydrophobicContact CD1-CE2 4.02Å; Y432-Y499 AromaticContact CD1-CZ 3.61Å
433	I	97.9	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	144	-173.8	-164.4	64.6	0	0	0	112.2	V47 V61 R289 T414 F415 V437 A439	V47-I433 HydrophobicContact CG1-CG2 3.96Å; V61-I433 HydrophobicContact CG1-CB 4.07Å; V61-I433 HydrophobicContact CG1-CD1 4.43Å; V61-I433 HydrophobicContact CG1-CG1 4.24Å; V61-I433 HydrophobicContact CG1-CG2 4.41Å; V61-I433 HydrophobicContact CG2-CB 4.32Å; V61-I433 HydrophobicContact CG2-CG2 3.81Å; R289-I433 VanDerWaalsContact CZ-O 3.31Å; R289-I433 PolarHBondContact NH1-O 2.93Å; R289-I433 PolarHBondContact NH2-O 3.07Å; T414-I433 HydrophobicContact CG2-CD1 3.96Å; F415-I433 HydrophobicContact CD1-CB 4.33Å; F415-I433 HydrophobicContact CD1-CD1 4.46Å; F415-I433 HydrophobicContact CD2-CD1 4.29Å; F415-I433 HydrophobicContact CE1-CB 3.96Å; F415-I433 HydrophobicContact CE1-CD1 3.99Å; F415-I433 HydrophobicContact CE2-CD1 3.83Å; F415-I433 HydrophobicContact CZ-CB 4.47Å; F415-I433 HydrophobicContact CZ-CD1 3.68Å; I433-V437 HydrophobicContact CD1-CB 4.08Å; I433-V437 HydrophobicContact CD1-CG1 3.88Å; I433-V437 HydrophobicContact CG1-CB 4.06Å; I433-V437 HydrophobicContact CG1-CG1 4.39Å; I433-V437 VanDerWaalsContact CG1-O 3.26Å; I433-V437 WeakPolarHBondContact CG1-O 3.1Å; I433-A439 HydrophobicContact CD1-CB 3.67Å
434	L	97.9	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-66.8	153.7	171.4	-77.9	-172	0	0	0	112.4	V286 V413 T414 L416 V437	V286-L434 HydrophobicContact CG2-CD1 4.06Å; V286-L434 HydrophobicContact CG2-CD2 4.46Å; V413-L434 HydrophobicContact CB-CD1 4.04Å; V413-L434 HydrophobicContact CG1-CD1 4.08Å; V413-L434 HydrophobicContact CG1-CG 4.4Å; V413-L434 VanDerWaalsContact O-CD1 3.3Å; V413-L434 WeakPolarHBondContact O-CD1 3.04Å; T414-L434 PolarHBondContact O-N 3.34Å; L416-L434 HydrophobicContact CB-CD2 4.06Å; L416-L434 HydrophobicContact CD2-CD2 4.28Å; L434-V437 HydrophobicContact CB-CB 4.41Å; L434-V437 HydrophobicContact CB-CG2 3.88Å; L434-V437 PolarHBondContact O-N 3Å
435	D	97.4	Very high	94.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.011	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	134.7	168	-58.9	-135	0	0	0	110.5	V47 S65 F285 K288 R289 V437 Y463	V47-D435 HydrophobicContact CG2-CB 4.16Å; S65-D435 VanDerWaalsContact CB-OD1 3.27Å; S65-D435 WeakPolarHBondContact CB-OD1 3.28Å; S65-D435 PolarHBondContact OG-OD1 3.26Å; F285-D435 HydrophobicContact CB-CB 4.15Å; F285-D435 HydrophobicContact CD1-CB 3.28Å; F285-D435 VanDerWaalsContact CD1-OD1 3.26Å; F285-D435 WeakPolarHBondContact CD1-OD1 3.44Å; F285-D435 HydrophobicContact CD2-CB 4.23Å; F285-D435 HydrophobicContact CE1-CB 3.63Å; F285-D435 HydrophobicContact CG-CB 3.63Å; F285-D435 HydrophobicContact CZ-CB 4.29Å; K288-D435 IonicContact NZ-OD1 2.64Å; K288-D435 PolarHBondContact NZ-OD1 3.12Å; R289-D435 IonicContact CZ-OD2 3.63Å; R289-D435 IonicContact NH2-OD2 3.87Å; R289-D435 PolarHBondContact NH2-OD2 2.96Å; D435-V437 PolarHBondContact O-N 2.89Å; D435-V437 VanDerWaalsContact O-N 3.17Å; D435-Y463 VanDerWaalsContact O-CE1 3.27Å; D435-Y463 WeakPolarHBondContact O-CE1 3.4Å
436	H	97.8	Very high	94.5	Very high	51 Å²	51	28.2 Å²	28.2	24%	0.236	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	18.4	-177.8	-49.5	-75.3	0	0	0	116.5	G63 T67 L69 F285 Y463	G63-H436 WeakPolarHBondContact O-CA 3.39Å; G63-H436 PolarHBondContact O-N 3.49Å; T67-H436 PolarHBondContact O-CE1 2.88Å; T67-H436 PolarHBondContact O-NE2 2.97Å; L69-H436 HydrophobicContact CD2-CB 3.82Å; L69-H436 VanDerWaalsContact CD2-CD2 3.42Å; L69-H436 WeakPolarHBondContact CD2-CD2 3.44Å; L69-H436 HydrophobicContact CG-CB 4.46Å; F285-H436 AromaticContact CE2-CD2 3.88Å; F285-H436 AromaticContact CZ-CD2 3.54Å; F285-H436 AromaticContact CZ-NE2 3.78Å; H436-Y463 HydrophobicContact CB-CD1 4.01Å; H436-Y463 HydrophobicContact CB-CE1 4.06Å
437	V	98.3	Very high	94.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.6	174.5	-169.4	0	0	0	0	110.2	G63 T414 I433 L434 D435 V460 R461 Y463 C464	G63-V437 PolarHBondContact N-O 2.9Å; T414-V437 HydrophobicContact CG2-CG1 4.2Å; I433-V437 HydrophobicContact CD1-CB 4.08Å; I433-V437 HydrophobicContact CD1-CG1 3.88Å; I433-V437 HydrophobicContact CG1-CB 4.06Å; I433-V437 HydrophobicContact CG1-CG1 4.39Å; I433-V437 VanDerWaalsContact CG1-O 3.26Å; I433-V437 WeakPolarHBondContact CG1-O 3.1Å; L434-V437 HydrophobicContact CB-CB 4.41Å; L434-V437 HydrophobicContact CB-CG2 3.88Å; L434-V437 PolarHBondContact O-N 3Å; D435-V437 PolarHBondContact O-N 2.89Å; D435-V437 VanDerWaalsContact O-N 3.17Å; V437-V460 HydrophobicContact CG1-CG1 3.68Å; V437-R461 WeakPolarHBondContact CG1-O 3.23Å; V437-Y463 HydrophobicContact CG2-CE1 3.88Å; V437-C464 HydrophobicContact CG2-CB 4.43Å
438	E	98.2	Very high	94.8	Very high	30 Å²	30	35.6 Å²	35.6	14%	0.14	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.2	169.7	-60.6	177	-92.4	0	0	110.1	Y60 V61 H62 V460 R461 W485	Y60-E438 HydrophobicContact CE2-CB 4.43Å; Y60-E438 WeakPolarHBondContact CE2-OE2 3.5Å; Y60-E438 PolarHBondContact OH-OE2 3.23Å; V61-E438 CarbonylContact O-C 3.57Å; V61-E438 VanDerWaalsContact O-CA 3.31Å; V61-E438 WeakPolarHBondContact O-CA 2.98Å; H62-E438 HydrophobicContact CB-CG 4.08Å; E438-V460 WeakPolarHBondContact O-CA 3.25Å; E438-R461 HydrophobicContact CB-CB 4.42Å; E438-R461 VanDerWaalsContact CD-NH2 3.26Å; E438-R461 PolarHBondContact N-O 2.93Å; E438-R461 PolarHBondContact O-N 3.07Å; E438-R461 IonicContact OE1-CZ 2.63Å; E438-R461 IonicContact OE1-NE 2.65Å; E438-R461 PolarHBondContact OE1-NE 2.76Å; E438-R461 IonicContact OE1-NH2 2.67Å; E438-R461 PolarHBondContact OE1-NH2 3.43Å; E438-R461 IonicContact OE2-CZ 2.72Å; E438-R461 IonicContact OE2-NE 2.72Å; E438-R461 IonicContact OE2-NH2 3.07Å; E438-R461 PolarHBondContact OE2-NH2 3.15Å; E438-W485 HydrophobicContact CB-CH2 3.72Å; E438-W485 HydrophobicContact CB-CZ3 4.18Å
439	A	98.3	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.5	169.1	0	0	0	0	0	111.3	Y60 V61 F415 I433 M459	Y60-A439 CarbonylContact C-O 3.18Å; Y60-A439 WeakPolarHBondContact CA-O 3.4Å; V61-A439 HydrophobicContact CG1-CB 3.9Å; V61-A439 PolarHBondContact N-O 3.2Å; V61-A439 PolarHBondContact O-N 3.46Å; F415-A439 HydrophobicContact CE2-CB 3.79Å; F415-A439 HydrophobicContact CZ-CB 3.58Å; I433-A439 HydrophobicContact CD1-CB 3.67Å; A439-M459 CarbonylContact C-O 3.53Å; A439-M459 VanDerWaalsContact CA-O 3.23Å; A439-M459 WeakPolarHBondContact CA-O 3.49Å
440	K	98	Very high	95.3	Very high	33 Å²	33	36 Å²	36	14%	0.143	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.7	170.7	61.2	-176.3	-176.3	-170.6	0	111.1	S59 Y60 V442 I449 M459 W485	S59-K440 CarbonylContact O-C 3.54Å; S59-K440 WeakPolarHBondContact O-CA 3.19Å; Y60-K440 HydrophobicContact CD2-CB 4.24Å; K440-V442 HydrophobicContact CD-CG1 3.92Å; K440-V442 HydrophobicContact CG-CG1 3.93Å; K440-I449 HydrophobicContact CD-CG1 4.34Å; K440-M459 WeakPolarHBondContact CE-SD 3.11Å; K440-M459 HydrophobicContact CG-CB 3.91Å; K440-M459 PolarHBondContact N-O 3.38Å; K440-M459 PolarHBondContact O-N 2.95Å; K440-W485 HydrophobicContact CB-CH2 4.43Å; K440-W485 HydrophobicContact CB-CZ3 4.45Å; K440-W485 HydrophobicContact CD-CD2 4.14Å; K440-W485 HydrophobicContact CD-CE3 4.16Å; K440-W485 HydrophobicContact CD-CH2 4Å; K440-W485 HydrophobicContact CD-CZ2 3.99Å; K440-W485 HydrophobicContact CD-CZ3 4.1Å; K440-W485 HydrophobicContact CG-CE3 4.06Å; K440-W485 HydrophobicContact CG-CH2 4.02Å; K440-W485 HydrophobicContact CG-CZ3 3.79Å
441	I	98.2	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.4	172.2	-47.7	-59.3	0	0	0	107.4	S59 I449 M450 G456 E457 I458 G492 L494	S59-I441 PolarHBondContact O-N 2.89Å; I441-I449 WeakPolarHBondContact O-CA 3.36Å; I441-M450 HydrophobicContact CG2-CB 4.24Å; I441-M450 HydrophobicContact CG2-CG 4.14Å; I441-M450 PolarHBondContact O-N 2.72Å; I441-G456 VanDerWaalsContact CG2-CA 3.41Å; I441-G456 VanDerWaalsContact CG2-N 3.26Å; I441-E457 WeakPolarHBondContact CA-O 3.35Å; I441-I458 HydrophobicContact CD1-CB 4.37Å; I441-I458 HydrophobicContact CD1-CG1 3.78Å; I441-I458 HydrophobicContact CD1-CG2 4.45Å; I441-G492 VanDerWaalsContact CG2-O 3.28Å; I441-G492 WeakPolarHBondContact CG2-O 3.48Å; I441-L494 HydrophobicContact CD1-CG 4.21Å; I441-L494 HydrophobicContact CG1-CB 4.47Å; I441-L494 HydrophobicContact CG1-CD1 4.02Å; I441-L494 HydrophobicContact CG1-CG 3.87Å
442	V	96.8	Very high	95.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.6	-177.4	-59.7	0	0	0	0	112.4	K440 Q448 I449 G456 E457 M459	K440-V442 HydrophobicContact CD-CG1 3.92Å; K440-V442 HydrophobicContact CG-CG1 3.93Å; V442-Q448 CarbonylContact C-O 3.57Å; V442-Q448 VanDerWaalsContact CA-O 3.23Å; V442-Q448 WeakPolarHBondContact CA-O 3.28Å; V442-Q448 WeakPolarHBondContact CB-O 3.31Å; V442-I449 HydrophobicContact CG1-CG1 4.32Å; V442-G456 CarbonylContact O-C 3.56Å; V442-G456 VanDerWaalsContact O-CA 3.32Å; V442-G456 WeakPolarHBondContact O-CA 3.29Å; V442-E457 HydrophobicContact CG2-CB 4.04Å; V442-E457 PolarHBondContact N-O 3Å; V442-E457 PolarHBondContact O-N 2.86Å; V442-M459 HydrophobicContact CG1-SD 4.15Å; V442-M459 HydrophobicContact CG2-CG 3.91Å; V442-M459 HydrophobicContact CG2-SD 3.75Å
443	N	92.8	Very high	95.2	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.251	26%	0.261	S	S	.	.			trans	-65.6	123.9	164.3	-177	-69.2	0	0	0	108.8	T445 T446 G447 Q448 M450	N443-T445 PolarHBondContact O-N 3.25Å; N443-T445 VanDerWaalsContact O-N 3.16Å; N443-T445 WeakPolarHBondContact OD1-CA 3.36Å; N443-T445 WeakPolarHBondContact OD1-CB 3.31Å; N443-T445 PolarHBondContact OD1-N 3.5Å; N443-T446 WeakPolarHBondContact CB-OG1 3.39Å; N443-T446 PolarHBondContact OD1-N 2.98Å; N443-G447 WeakPolarHBondContact O-CA 3.04Å; N443-G447 PolarHBondContact O-N 3.11Å; N443-Q448 PolarHBondContact N-O 3.34Å; N443-M450 HydrophobicContact CB-SD 3.75Å
444	P	86.3	Confident	95	Very high	55 Å²	55	48.5 Å²	48.5	36%	0.357	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.7	-174.5	26.3	-34.9	0	0	0	114	E457 I506	P444-E457 HydrophobicContact CB-CB 4.26Å; P444-I506 HydrophobicContact CB-CD1 4.19Å
445	T	83.7	Confident	94.8	Very high	132 Å²	132	52.3 Å²	52.3	81%	0.81	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-43.9	179.2	-49.6	0	0	0	0	112.3	N443	N443-T445 PolarHBondContact O-N 3.25Å; N443-T445 VanDerWaalsContact O-N 3.16Å; N443-T445 WeakPolarHBondContact OD1-CA 3.36Å; N443-T445 WeakPolarHBondContact OD1-CB 3.31Å; N443-T445 PolarHBondContact OD1-N 3.5Å
446	T	90.2	Very high	94.6	Very high	81 Å²	81	52.3 Å²	52.3	50%	0.497	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-14.3	-175.5	72.8	0	0	0	0	114.2	N443 Q448	N443-T446 WeakPolarHBondContact CB-OG1 3.39Å; N443-T446 PolarHBondContact OD1-N 2.98Å; T446-Q448 PolarHBondContact O-N 2.93Å; T446-Q448 VanDerWaalsContact O-N 3.14Å; T446-Q448 PolarHBondContact OG1-N 2.85Å
447	G	90.9	Very high	94.6	Very high	47 Å²	47	50.2 Å²	50.2	49%	0.485	29%	0.292	S	S	.	.			trans	68.9	0.4	-175.2	0	0	0	0	0	115	N443	N443-G447 WeakPolarHBondContact O-CA 3.04Å; N443-G447 PolarHBondContact O-N 3.11Å
448	Q	94.6	Very high	94.6	Very high	138 Å²	138	50.2 Å²	50.2	65%	0.645	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-73.5	142.6	179.5	-66.5	179.3	-17.4	0	0	111.1	V442 N443 T446 M450	V442-Q448 CarbonylContact C-O 3.57Å; V442-Q448 VanDerWaalsContact CA-O 3.23Å; V442-Q448 WeakPolarHBondContact CA-O 3.28Å; V442-Q448 WeakPolarHBondContact CB-O 3.31Å; N443-Q448 PolarHBondContact N-O 3.34Å; T446-Q448 PolarHBondContact O-N 2.93Å; T446-Q448 VanDerWaalsContact O-N 3.14Å; T446-Q448 PolarHBondContact OG1-N 2.85Å; Q448-M450 PolarHBondContact O-N 3.07Å
449	I	97.1	Very high	94.6	Very high	83 Å²	83	49.7 Å²	49.7	43%	0.426	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-64	129.3	176.2	-62.3	172.8	0	0	0	109.3	K440 I441 V442	K440-I449 HydrophobicContact CD-CG1 4.34Å; I441-I449 WeakPolarHBondContact O-CA 3.36Å; V442-I449 HydrophobicContact CG1-CG1 4.32Å
450	M	96.8	Very high	94.6	Very high	33 Å²	33	49.7 Å²	49.7	16%	0.163	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.9	150.4	177.7	-66.1	-57.5	-68	0	0	111.2	S59 I441 N443 Q448 M454 K455	S59-M450 VanDerWaalsContact CB-O 3.28Å; S59-M450 WeakPolarHBondContact CB-O 3.21Å; S59-M450 PolarHBondContact N-O 3.13Å; S59-M450 PolarHBondContact OG-O 2.85Å; I441-M450 HydrophobicContact CG2-CB 4.24Å; I441-M450 HydrophobicContact CG2-CG 4.14Å; I441-M450 PolarHBondContact O-N 2.72Å; N443-M450 HydrophobicContact CB-SD 3.75Å; Q448-M450 PolarHBondContact O-N 3.07Å; M450-M454 HydrophobicContact CB-CB 4.19Å; M450-M454 HydrophobicContact CE-CB 3.9Å; M450-K455 WeakPolarHBondContact CE-O 3.38Å
451	P	96.6	Very high	94.6	Very high	82 Å²	82	51.7 Å²	51.7	53%	0.532	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-53.8	153.9	165.5	-22.4	33.1	0	0	0	111.2	S59 G453 M454	S59-P451 PolarHBondContact OG-O 2.7Å; P451-G453 PolarHBondContact O-N 2.93Å; P451-M454 HydrophobicContact CB-CG 3.86Å; P451-M454 HydrophobicContact CG-CG 4.19Å; P451-M454 WeakPolarHBondContact O-CB 3.49Å; P451-M454 PolarHBondContact O-N 3.25Å; P451-M454 VanDerWaalsContact O-N 3.11Å
452	L	96.3	Very high	94.6	Very high	55 Å²	55	53.1 Å²	53.1	29%	0.288	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	139.2	178.9	-168.7	70.7	0	0	0	111.1	L56 S59 M454 L494 A496	L56-L452 HydrophobicContact CB-CD1 4.02Å; L56-L452 VanDerWaalsContact O-CD2 3.28Å; L56-L452 WeakPolarHBondContact O-CD2 3.18Å; S59-L452 WeakPolarHBondContact OG-CA 3.4Å; L452-M454 PolarHBondContact O-N 2.92Å; L452-L494 HydrophobicContact CD1-CB 4.34Å; L452-L494 WeakPolarHBondContact CD1-O 3.49Å; L452-A496 HydrophobicContact CD2-CB 3.99Å
453	G	95	Very high	94.6	Very high	47 Å²	47	53.9 Å²	53.9	49%	0.485	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-8.8	-175.5	0	0	0	0	0	115.7	P451 L494	P451-G453 PolarHBondContact O-N 2.93Å; G453-L494 WeakPolarHBondContact CA-O 3.31Å; G453-L494 PolarHBondContact N-O 2.75Å
454	M	94.4	Very high	94.8	Very high	100 Å²	100	51.6 Å²	51.6	49%	0.493	30%	0.302	S	S	.	.			trans	-84.9	142.7	177.1	-63.5	-68.3	-77.1	0	0	111.5	M450 P451 L452	M450-M454 HydrophobicContact CB-CB 4.19Å; M450-M454 HydrophobicContact CE-CB 3.9Å; P451-M454 HydrophobicContact CB-CG 3.86Å; P451-M454 HydrophobicContact CG-CG 4.19Å; P451-M454 WeakPolarHBondContact O-CB 3.49Å; P451-M454 PolarHBondContact O-N 3.25Å; P451-M454 VanDerWaalsContact O-N 3.11Å; L452-M454 PolarHBondContact O-N 2.92Å
455	K	93.7	Very high	95.4	Very high	80 Å²	80	49.8 Å²	49.8	35%	0.348	29%	0.29	S	S	.	.			trans	-72.5	142.3	-179.8	-52.6	-169.9	-175.3	-149.6	0	111.8	M450 I491 G492 D503 E521	M450-K455 WeakPolarHBondContact CE-O 3.38Å; K455-I491 HydrophobicContact CB-CG2 3.98Å; K455-G492 WeakPolarHBondContact CA-O 3.16Å; K455-D503 HydrophobicContact CD-CB 4.02Å; K455-D503 WeakPolarHBondContact CE-OD1 3.32Å; K455-D503 IonicContact NZ-OD1 2.7Å; K455-D503 PolarHBondContact NZ-OD1 3.41Å; K455-E521 IonicContact NZ-OE1 3.22Å; K455-E521 PolarHBondContact NZ-OE1 2.99Å
456	G	93.7	Very high	96.1	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-177.7	173	0	0	0	0	0	112.2	I441 V442 I491 G492	I441-G456 VanDerWaalsContact CG2-CA 3.41Å; I441-G456 VanDerWaalsContact CG2-N 3.26Å; V442-G456 CarbonylContact O-C 3.56Å; V442-G456 VanDerWaalsContact O-CA 3.32Å; V442-G456 WeakPolarHBondContact O-CA 3.29Å; G456-I491 CarbonylContact O-C 3.53Å; G456-I491 VanDerWaalsContact O-CA 3.29Å; G456-I491 WeakPolarHBondContact O-CA 3.33Å; G456-G492 PolarHBondContact N-O 2.65Å; G456-G492 PolarHBondContact O-N 2.9Å
457	E	96.4	Very high	96.5	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130	178.4	-175.3	176.5	-175.9	0	0	111	I441 V442 P444 M459 R487 D490 I491 I506	I441-E457 WeakPolarHBondContact CA-O 3.35Å; V442-E457 HydrophobicContact CG2-CB 4.04Å; V442-E457 PolarHBondContact N-O 3Å; V442-E457 PolarHBondContact O-N 2.86Å; P444-E457 HydrophobicContact CB-CB 4.26Å; E457-M459 PolarHBondContact O-N 2.88Å; E457-R487 WeakPolarHBondContact OE1-CB 3.25Å; E457-R487 IonicContact OE1-CZ 3.98Å; E457-R487 IonicContact OE1-NE 2.63Å; E457-R487 PolarHBondContact OE1-NE 3.35Å; E457-R487 IonicContact OE1-NH2 2.93Å; E457-R487 PolarHBondContact OE1-NH2 3.05Å; E457-R487 IonicContact OE2-CZ 2.92Å; E457-R487 IonicContact OE2-NE 2.62Å; E457-R487 PolarHBondContact OE2-NE 2.78Å; E457-R487 IonicContact OE2-NH2 2.65Å; E457-R487 PolarHBondContact OE2-NH2 3.18Å; E457-D490 WeakPolarHBondContact CA-O 3.44Å; E457-I491 HydrophobicContact CB-CD1 4.39Å; E457-I506 HydrophobicContact CB-CD1 3.98Å; E457-I506 HydrophobicContact CG-CD1 3.75Å
458	I	98.3	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.9	174.2	-50.3	170	0	0	0	108.4	Y405 F415 I441 V460 T488 D490 I502	Y405-I458 HydrophobicContact CE1-CD1 4.18Å; F415-I458 HydrophobicContact CE2-CG2 4.46Å; I441-I458 HydrophobicContact CD1-CB 4.37Å; I441-I458 HydrophobicContact CD1-CG1 3.78Å; I441-I458 HydrophobicContact CD1-CG2 4.45Å; I458-V460 HydrophobicContact CG2-CG2 4.08Å; I458-T488 HydrophobicContact CB-CG2 4.25Å; I458-T488 HydrophobicContact CG2-CG2 4.28Å; I458-T488 WeakPolarHBondContact O-CB 3.47Å; I458-T488 VanDerWaalsContact O-CG2 3.29Å; I458-T488 WeakPolarHBondContact O-CG2 3.25Å; I458-T488 PolarHBondContact O-N 3.37Å; I458-T488 PolarHBondContact O-OG1 2.81Å; I458-D490 HydrophobicContact CD1-CB 4.36Å; I458-D490 PolarHBondContact N-O 2.91Å; I458-I502 HydrophobicContact CD1-CD1 3.38Å
459	M	98.3	Very high	96.9	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.9	166.1	-59	-176.1	86.1	0	0	110.3	A439 K440 V442 E457 W485 Y486 R487	A439-M459 CarbonylContact C-O 3.53Å; A439-M459 VanDerWaalsContact CA-O 3.23Å; A439-M459 WeakPolarHBondContact CA-O 3.49Å; K440-M459 WeakPolarHBondContact CE-SD 3.11Å; K440-M459 HydrophobicContact CG-CB 3.91Å; K440-M459 PolarHBondContact N-O 3.38Å; K440-M459 PolarHBondContact O-N 2.95Å; V442-M459 HydrophobicContact CG1-SD 4.15Å; V442-M459 HydrophobicContact CG2-CG 3.91Å; V442-M459 HydrophobicContact CG2-SD 3.75Å; E457-M459 PolarHBondContact O-N 2.88Å; M459-W485 HydrophobicContact CB-CE3 3.91Å; M459-W485 HydrophobicContact CE-CB 3.54Å; M459-W485 HydrophobicContact CE-CG 4.43Å; M459-W485 HydrophobicContact SD-CB 4.49Å; M459-Y486 CarbonylContact C-O 3.51Å; M459-Y486 WeakPolarHBondContact CA-O 3.45Å; M459-R487 HydrophobicContact CE-CG 3.54Å; M459-R487 HydrophobicContact CG-CG 4.39Å
460	V	98.5	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.4	-173.1	-177.4	0	0	0	0	110.2	T414 V437 E438 I458 W485 Y486 T488	T414-V460 HydrophobicContact CG2-CB 4.37Å; T414-V460 HydrophobicContact CG2-CG1 3.62Å; T414-V460 HydrophobicContact CG2-CG2 3.74Å; V437-V460 HydrophobicContact CG1-CG1 3.68Å; E438-V460 WeakPolarHBondContact O-CA 3.25Å; I458-V460 HydrophobicContact CG2-CG2 4.08Å; V460-W485 CarbonylContact O-C 3.45Å; V460-Y486 PolarHBondContact N-O 3.03Å; V460-Y486 PolarHBondContact O-N 3.29Å; V460-T488 HydrophobicContact CG2-CG2 3.85Å
461	R	98.3	Very high	96.8	Very high	75 Å²	75	38.3 Å²	38.3	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.1	173.6	-179.1	170.5	72.4	178.7	3.2	110.5	V437 E438 D483 G484 W485	V437-R461 WeakPolarHBondContact CG1-O 3.23Å; E438-R461 HydrophobicContact CB-CB 4.42Å; E438-R461 VanDerWaalsContact CD-NH2 3.26Å; E438-R461 PolarHBondContact N-O 2.93Å; E438-R461 PolarHBondContact O-N 3.07Å; E438-R461 IonicContact OE1-CZ 2.63Å; E438-R461 IonicContact OE1-NE 2.65Å; E438-R461 PolarHBondContact OE1-NE 2.76Å; E438-R461 IonicContact OE1-NH2 2.67Å; E438-R461 PolarHBondContact OE1-NH2 3.43Å; E438-R461 IonicContact OE2-CZ 2.72Å; E438-R461 IonicContact OE2-NE 2.72Å; E438-R461 IonicContact OE2-NH2 3.07Å; E438-R461 PolarHBondContact OE2-NH2 3.15Å; R461-D483 WeakPolarHBondContact CD-O 3.43Å; R461-D483 PolarHBondContact NH1-O 2.92Å; R461-G484 WeakPolarHBondContact CG-O 3.37Å; R461-W485 HydrophobicContact CB-CD2 3.93Å; R461-W485 HydrophobicContact CB-CE3 3.7Å; R461-W485 HydrophobicContact CB-CH2 4.28Å; R461-W485 HydrophobicContact CB-CZ2 4.47Å; R461-W485 HydrophobicContact CB-CZ3 3.88Å
462	G	97.6	Very high	96.6	Very high	30 Å²	30	36.5 Å²	36.5	31%	0.309	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-173.9	178.3	0	0	0	0	0	111.2	C464 V465	G462-C464 PolarHBondContact O-N 3.31Å; G462-V465 PolarHBondContact O-N 3.16Å
463	Y	97.8	Very high	96.6	Very high	18 Å²	18	38.5 Å²	38.5	7%	0.071	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19	178.7	72.1	-94.9	0	0	0	113.7	L69 N278 N281 N282 F285 D435 H436 V437 V465	L69-Y463 HydrophobicContact CD2-CD1 3.51Å; L69-Y463 HydrophobicContact CD2-CE1 3.93Å; L69-Y463 HydrophobicContact CD2-CG 4.1Å; N278-Y463 WeakPolarHBondContact CA-O 3.35Å; N278-Y463 PolarHBondContact ND2-O 2.87Å; N281-Y463 HydrophobicContact CB-CD1 4.42Å; N281-Y463 HydrophobicContact CB-CD2 3.37Å; N281-Y463 HydrophobicContact CB-CE1 4.32Å; N281-Y463 HydrophobicContact CB-CE2 3.33Å; N281-Y463 HydrophobicContact CB-CG 3.98Å; N282-Y463 HydrophobicContact CB-CE2 4.2Å; F285-Y463 HydrophobicContact CD2-CE1 4.22Å; F285-Y463 HydrophobicContact CE2-CE1 4.47Å; D435-Y463 VanDerWaalsContact O-CE1 3.27Å; D435-Y463 WeakPolarHBondContact O-CE1 3.4Å; H436-Y463 HydrophobicContact CB-CD1 4.01Å; H436-Y463 HydrophobicContact CB-CE1 4.06Å; V437-Y463 HydrophobicContact CG2-CE1 3.88Å; Y463-V465 VanDerWaalsContact C-N 3.33Å
464	C	97.3	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-20.8	-173.3	67	0	0	0	0	113	N410 S411 V437 G462	N410-C464 CarbonylContact C-O 3.56Å; N410-C464 WeakPolarHBondContact CA-O 3.33Å; N410-C464 WeakPolarHBondContact O-CB 3.47Å; S411-C464 VanDerWaalsContact CB-O 3.25Å; S411-C464 WeakPolarHBondContact CB-O 3.47Å; S411-C464 PolarHBondContact N-O 2.88Å; S411-C464 PolarHBondContact OG-O 3.04Å; V437-C464 HydrophobicContact CG2-CB 4.43Å; G462-C464 PolarHBondContact O-N 3.31Å
465	V	98.4	Very high	96.3	Very high	17 Å²	17	38.4 Å²	38.4	10%	0.103	20%	0.204	C	C	.	.	S	Bend	trans	-70.6	132.9	-176.8	-179.3	0	0	0	0	110.1	N278 E409 G462 Y463 I480	N278-V465 PolarHBondContact ND2-O 2.83Å; E409-V465 CarbonylContact O-C 3.55Å; E409-V465 WeakPolarHBondContact O-CA 3.44Å; G462-V465 PolarHBondContact O-N 3.16Å; Y463-V465 VanDerWaalsContact C-N 3.33Å; V465-I480 HydrophobicContact CG1-CD1 3.78Å; V465-I480 HydrophobicContact CG1-CG1 4.33Å
466	M	98.1	Very high	96.3	Very high	6 Å²	6	35 Å²	35	3%	0.03	19%	0.19	C	C	.	.			trans	-54.3	156.9	176.9	66.8	169.9	-165.9	0	0	112.8	A272 T273 L274 E409 Y469 I480	A272-M466 HydrophobicContact CB-SD 3.72Å; T273-M466 WeakPolarHBondContact O-CB 3.42Å; L274-M466 HydrophobicContact CD2-CB 3.54Å; E409-M466 HydrophobicContact CB-CG 4.03Å; E409-M466 HydrophobicContact CB-SD 3.86Å; E409-M466 HydrophobicContact CG-CE 4.18Å; E409-M466 HydrophobicContact CG-CG 4.31Å; E409-M466 HydrophobicContact CG-SD 3.45Å; E409-M466 WeakPolarHBondContact CG-SD 3.38Å; E409-M466 PolarHBondContact O-N 2.79Å; M466-Y469 HydrophobicContact CE-CD1 3.91Å; M466-Y469 HydrophobicContact CE-CD2 3.76Å; M466-Y469 HydrophobicContact CE-CE1 3.8Å; M466-Y469 HydrophobicContact CE-CE2 3.64Å; M466-Y469 HydrophobicContact CE-CG 3.89Å; M466-Y469 HydrophobicContact SD-CD1 3.94Å; M466-Y469 HydrophobicContact SD-CE1 3.81Å; M466-Y469 HydrophobicContact SD-CG 4.43Å; M466-I480 HydrophobicContact CE-CD1 3.91Å; M466-I480 HydrophobicContact CG-CD1 4.23Å
467	L	98.1	Very high	96.4	Very high	76 Å²	76	41 Å²	41	40%	0.398	22%	0.217	S	C	.	.	S	Bend	trans	-67.3	-49.5	174.4	-58.3	-179.9	0	0	0	111.3	P256 T273	P256-L467 HydrophobicContact CB-CD1 3.98Å; T273-L467 HydrophobicContact CG2-CD1 4.36Å; T273-L467 PolarHBondContact O-N 3.15Å
468	E	97.5	Very high	96.2	Very high	54 Å²	54	46.1 Å²	46.1	25%	0.252	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	170.1	-176.6	56.7	166.2	-147.1	0	0	111.9	T273 W470 T476	T273-E468 PolarHBondContact N-O 3.17Å; T273-E468 PolarHBondContact OG1-O 3.32Å; E468-W470 WeakPolarHBondContact OE1-CA 3.37Å; E468-T476 HydrophobicContact CB-CG2 4.1Å
469	Y	97.2	Very high	95.9	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.8	149	-64.6	-58.6	0	0	0	109.5	K270 G271 A272 E409 M466 S471 E472 K475 T476 C479	K270-Y469 HydrophobicContact CB-CD1 3.66Å; K270-Y469 HydrophobicContact CB-CE1 4.01Å; K270-Y469 HydrophobicContact CB-CG 4.1Å; K270-Y469 HydrophobicContact CD-CD1 4.33Å; K270-Y469 HydrophobicContact CD-CD2 4.14Å; K270-Y469 HydrophobicContact CD-CE1 4.3Å; K270-Y469 HydrophobicContact CD-CE2 4.1Å; K270-Y469 HydrophobicContact CD-CG 4.26Å; K270-Y469 PolarHBondContact NZ-OH 3.07Å; G271-Y469 CarbonylContact O-C 3.49Å; G271-Y469 VanDerWaalsContact O-CA 3.32Å; G271-Y469 WeakPolarHBondContact O-CA 3.43Å; A272-Y469 HydrophobicContact CB-CD1 4.16Å; A272-Y469 HydrophobicContact CB-CE1 4.11Å; E409-Y469 HydrophobicContact CG-CE1 3.87Å; E409-Y469 PolarHBondContact OE1-OH 3.42Å; M466-Y469 HydrophobicContact CE-CD1 3.91Å; M466-Y469 HydrophobicContact CE-CD2 3.76Å; M466-Y469 HydrophobicContact CE-CE1 3.8Å; M466-Y469 HydrophobicContact CE-CE2 3.64Å; M466-Y469 HydrophobicContact CE-CG 3.89Å; M466-Y469 HydrophobicContact SD-CD1 3.94Å; M466-Y469 HydrophobicContact SD-CE1 3.81Å; M466-Y469 HydrophobicContact SD-CG 4.43Å; Y469-S471 PolarHBondContact O-N 3.47Å; Y469-E472 PolarHBondContact O-N 3.39Å; Y469-K475 HydrophobicContact CD2-CB 3.87Å; Y469-T476 PolarHBondContact N-OG1 3.36Å; Y469-C479 VanDerWaalsContact CE2-SG 3.51Å
470	W	96.8	Very high	95.9	Very high	48 Å²	48	47.4 Å²	47.4	18%	0.182	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	118	-172.7	-175.9	-88.5	0	0	0	113.2	I150 V170 I259 G271 T273 E468 E472	I150-W470 HydrophobicContact CD1-CH2 3.87Å; I150-W470 HydrophobicContact CD1-CZ3 3.76Å; V170-W470 HydrophobicContact CB-CG 4.44Å; V170-W470 HydrophobicContact CG1-CB 4.32Å; V170-W470 HydrophobicContact CG1-CG 4.09Å; I259-W470 HydrophobicContact CD1-CB 4.26Å; I259-W470 HydrophobicContact CD1-CD2 3.66Å; I259-W470 HydrophobicContact CD1-CE3 3.53Å; I259-W470 HydrophobicContact CD1-CG 4Å; I259-W470 HydrophobicContact CD1-CZ3 4.12Å; I259-W470 HydrophobicContact CG1-CE3 4.36Å; G271-W470 PolarHBondContact O-N 3.45Å; T273-W470 HydrophobicContact CG2-CE3 4.25Å; E468-W470 WeakPolarHBondContact OE1-CA 3.37Å; W470-E472 PolarHBondContact O-N 3.44Å
471	S	94.5	Very high	95.7	Very high	85 Å²	85	49.3 Å²	49.3	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	30.2	-177.6	-56	0	0	0	0	114.1	Y469	Y469-S471 PolarHBondContact O-N 3.47Å
472	E	93.6	Very high	95.5	Very high	43 Å²	43	56.1 Å²	56.1	20%	0.201	29%	0.294	C	S	.	.			trans	-132.4	50.4	177	-59.5	-157.8	123.2	0	0	112.4	K169 K270 Y469 W470 A474 K475 T476	K169-E472 VanDerWaalsContact CE-CD 3.43Å; K169-E472 WeakPolarHBondContact CE-OE1 3.42Å; K169-E472 IonicContact NZ-OE1 3.67Å; K169-E472 PolarHBondContact NZ-OE1 2.93Å; K270-E472 WeakPolarHBondContact CG-OE2 3.41Å; Y469-E472 PolarHBondContact O-N 3.39Å; W470-E472 PolarHBondContact O-N 3.44Å; E472-A474 PolarHBondContact O-N 3.49Å; E472-K475 HydrophobicContact CB-CB 3.98Å; E472-K475 HydrophobicContact CB-CG 4.22Å; E472-K475 WeakPolarHBondContact O-CA 3.35Å; E472-K475 WeakPolarHBondContact O-CB 3.23Å; E472-K475 PolarHBondContact O-N 2.72Å; E472-T476 PolarHBondContact O-N 3.48Å; E472-T476 PolarHBondContact O-OG1 3.43Å
473	Q	95.1	Very high	95.4	Very high	98 Å²	98	60.1 Å²	60.1	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-47.4	-42.1	-176.5	-176	60.5	13	0	0	114.1	K475 T476 E477	Q473-K475 VanDerWaalsContact C-N 3.3Å; Q473-K475 PolarHBondContact O-N 2.71Å; Q473-T476 WeakPolarHBondContact O-CA 3.38Å; Q473-T476 VanDerWaalsContact O-CB 3.32Å; Q473-T476 WeakPolarHBondContact O-CB 3.48Å; Q473-T476 PolarHBondContact O-N 2.97Å; Q473-T476 VanDerWaalsContact O-N 3.1Å; Q473-E477 HydrophobicContact CG-CG 4.41Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.45Å; Q473-E477 PolarHBondContact NE2-OE1 2.91Å; Q473-E477 WeakPolarHBondContact O-CG 3.3Å; Q473-E477 PolarHBondContact O-N 2.91Å
474	A	92.1	Very high	95.3	Very high	65 Å²	65	60.6 Å²	60.6	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-36	175.9	0	0	0	0	0	113.1	E472 E478	E472-A474 PolarHBondContact O-N 3.49Å; A474-E478 WeakPolarHBondContact O-CB 3.33Å; A474-E478 VanDerWaalsContact O-CG 3.3Å; A474-E478 WeakPolarHBondContact O-CG 3.36Å; A474-E478 PolarHBondContact O-N 3.02Å
475	K	90.5	Very high	95.3	Very high	79 Å²	79	61.3 Å²	61.3	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-75.1	-29.7	174.2	-65.2	-68.5	166.4	-141.2	0	112.5	Y469 E472 Q473 E478 C479	Y469-K475 HydrophobicContact CD2-CB 3.87Å; E472-K475 HydrophobicContact CB-CB 3.98Å; E472-K475 HydrophobicContact CB-CG 4.22Å; E472-K475 WeakPolarHBondContact O-CA 3.35Å; E472-K475 WeakPolarHBondContact O-CB 3.23Å; E472-K475 PolarHBondContact O-N 2.72Å; Q473-K475 VanDerWaalsContact C-N 3.3Å; Q473-K475 PolarHBondContact O-N 2.71Å; K475-E478 WeakPolarHBondContact CD-OE2 3.36Å; K475-E478 IonicContact NZ-OE1 3.69Å; K475-E478 PolarHBondContact NZ-OE1 2.72Å; K475-E478 IonicContact NZ-OE2 2.82Å; K475-E478 PolarHBondContact NZ-OE2 3.35Å; K475-C479 PolarHBondContact O-SG 3.36Å
476	T	95.3	Very high	95.3	Very high	10 Å²	10	60.9 Å²	60.9	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-52.3	169.4	-52.7	0	0	0	0	109.8	E468 Y469 E472 Q473 E478 C479 I480	E468-T476 HydrophobicContact CB-CG2 4.1Å; Y469-T476 PolarHBondContact N-OG1 3.36Å; E472-T476 PolarHBondContact O-N 3.48Å; E472-T476 PolarHBondContact O-OG1 3.43Å; Q473-T476 WeakPolarHBondContact O-CA 3.38Å; Q473-T476 VanDerWaalsContact O-CB 3.32Å; Q473-T476 WeakPolarHBondContact O-CB 3.48Å; Q473-T476 PolarHBondContact O-N 2.97Å; Q473-T476 VanDerWaalsContact O-N 3.1Å; T476-E478 VanDerWaalsContact C-N 3.34Å; T476-E478 PolarHBondContact O-N 3.02Å; T476-C479 PolarHBondContact O-N 3.31Å; T476-C479 VanDerWaalsContact O-N 3.09Å; T476-C479 PolarHBondContact O-SG 3.03Å; T476-I480 HydrophobicContact CG2-CD1 4.04Å; T476-I480 PolarHBondContact O-N 2.84Å
477	E	95.3	Very high	95.2	Very high	127 Å²	127	65.3 Å²	65.3	59%	0.593	33%	0.334	S	S	*	.	H	α-helix	trans	-67.7	-27.2	-179.1	-68.3	174.5	-178	0	0	113.9	Q473 C479	Q473-E477 HydrophobicContact CG-CG 4.41Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.45Å; Q473-E477 PolarHBondContact NE2-OE1 2.91Å; Q473-E477 WeakPolarHBondContact O-CG 3.3Å; Q473-E477 PolarHBondContact O-N 2.91Å; E477-C479 VanDerWaalsContact C-N 3.26Å; E477-C479 PolarHBondContact O-N 3.13Å
478	E	91.4	Very high	95	Very high	115 Å²	115	62.3 Å²	62.3	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-30.2	170.6	-86.3	171.7	-143.9	0	0	113.1	A474 K475 T476	A474-E478 WeakPolarHBondContact O-CB 3.33Å; A474-E478 VanDerWaalsContact O-CG 3.3Å; A474-E478 WeakPolarHBondContact O-CG 3.36Å; A474-E478 PolarHBondContact O-N 3.02Å; K475-E478 WeakPolarHBondContact CD-OE2 3.36Å; K475-E478 IonicContact NZ-OE1 3.69Å; K475-E478 PolarHBondContact NZ-OE1 2.72Å; K475-E478 IonicContact NZ-OE2 2.82Å; K475-E478 PolarHBondContact NZ-OE2 3.35Å; T476-E478 VanDerWaalsContact C-N 3.34Å; T476-E478 PolarHBondContact O-N 3.02Å
479	C	92.8	Very high	94.7	Very high	15 Å²	15	61.1 Å²	61.1	10%	0.101	32%	0.321	C	S	.	.	H	α-helix	trans	-113.6	-24.6	-174	70.4	0	0	0	0	114.8	Y469 K475 T476 E477 Y486 R487	Y469-C479 VanDerWaalsContact CE2-SG 3.51Å; K475-C479 PolarHBondContact O-SG 3.36Å; T476-C479 PolarHBondContact O-N 3.31Å; T476-C479 VanDerWaalsContact O-N 3.09Å; T476-C479 PolarHBondContact O-SG 3.03Å; E477-C479 VanDerWaalsContact C-N 3.26Å; E477-C479 PolarHBondContact O-N 3.13Å; C479-Y486 HydrophobicContact CB-CD2 4.28Å; C479-Y486 HydrophobicContact CB-CE2 4.15Å; C479-Y486 CarbonylContact O-C 3.52Å; C479-Y486 WeakPolarHBondContact O-CA 3.5Å; C479-R487 WeakPolarHBondContact O-CB 3.47Å; C479-R487 PolarHBondContact O-N 2.98Å
480	I	96.9	Very high	94.5	Very high	30 Å²	30	61.2 Å²	61.2	15%	0.154	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-109.8	116.7	176.4	-59.3	177.6	0	0	0	108.4	V465 M466 T476 W485 Y486	V465-I480 HydrophobicContact CG1-CD1 3.78Å; V465-I480 HydrophobicContact CG1-CG1 4.33Å; M466-I480 HydrophobicContact CE-CD1 3.91Å; M466-I480 HydrophobicContact CG-CD1 4.23Å; T476-I480 HydrophobicContact CG2-CD1 4.04Å; T476-I480 PolarHBondContact O-N 2.84Å; I480-W485 WeakPolarHBondContact CA-O 3.15Å; I480-Y486 HydrophobicContact CG1-CD2 3.94Å
481	S	94.9	Very high	94.2	Very high	41 Å²	41	59.1 Å²	59.1	29%	0.287	31%	0.314	S	S	.	.			trans	-69.9	161.2	176.6	91.2	0	0	0	0	111.8	D483 G484 W485	S481-D483 PolarHBondContact O-N 3.21Å; S481-D483 PolarHBondContact OG-N 2.92Å; S481-G484 PolarHBondContact O-N 3.21Å; S481-W485 PolarHBondContact N-O 3.3Å; S481-W485 PolarHBondContact OG-N 3.14Å
482	K	94.8	Very high	94.3	Very high	218 Å²	218	55 Å²	55	95%	0.948	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22	174.4	-65.2	-175.1	177	-176.9	0	114.1	G484	K482-G484 VanDerWaalsContact C-N 3.34Å
483	D	94.8	Very high	94.5	Very high	113 Å²	113	53.6 Å²	53.6	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	12.7	177.8	-36.5	-74.4	0	0	0	113.1	R461 S481	R461-D483 WeakPolarHBondContact CD-O 3.43Å; R461-D483 PolarHBondContact NH1-O 2.92Å; S481-D483 PolarHBondContact O-N 3.21Å; S481-D483 PolarHBondContact OG-N 2.92Å
484	G	95.4	Very high	94.6	Very high	28 Å²	28	49 Å²	49	29%	0.289	26%	0.259	S	S	.	.	S	Bend	trans	81.1	12.9	177.3	0	0	0	0	0	115.6	R461 S481 K482 Y486	R461-G484 WeakPolarHBondContact CG-O 3.37Å; S481-G484 PolarHBondContact O-N 3.21Å; K482-G484 VanDerWaalsContact C-N 3.34Å; G484-Y486 PolarHBondContact O-N 3.23Å
485	W	97.9	Very high	94.8	Very high	16 Å²	16	47.9 Å²	47.9	6%	0.061	24%	0.244	C	C	.	.			trans	-85.7	110.1	179.7	-70.9	100.1	0	0	0	111.7	Y60 E438 K440 M459 V460 R461 I480 S481	Y60-W485 HydrophobicContact CD2-CH2 4.1Å; Y60-W485 HydrophobicContact CD2-CZ2 4.47Å; Y60-W485 AromaticContact CE2-CH2 3.86Å; Y60-W485 HydrophobicContact CE2-CH2 3.86Å; Y60-W485 HydrophobicContact CE2-CZ2 4.08Å; E438-W485 HydrophobicContact CB-CH2 3.72Å; E438-W485 HydrophobicContact CB-CZ3 4.18Å; K440-W485 HydrophobicContact CB-CH2 4.43Å; K440-W485 HydrophobicContact CB-CZ3 4.45Å; K440-W485 HydrophobicContact CD-CD2 4.14Å; K440-W485 HydrophobicContact CD-CE3 4.16Å; K440-W485 HydrophobicContact CD-CH2 4Å; K440-W485 HydrophobicContact CD-CZ2 3.99Å; K440-W485 HydrophobicContact CD-CZ3 4.1Å; K440-W485 HydrophobicContact CG-CE3 4.06Å; K440-W485 HydrophobicContact CG-CH2 4.02Å; K440-W485 HydrophobicContact CG-CZ3 3.79Å; M459-W485 HydrophobicContact CB-CE3 3.91Å; M459-W485 HydrophobicContact CE-CB 3.54Å; M459-W485 HydrophobicContact CE-CG 4.43Å; M459-W485 HydrophobicContact SD-CB 4.49Å; V460-W485 CarbonylContact O-C 3.45Å; R461-W485 HydrophobicContact CB-CD2 3.93Å; R461-W485 HydrophobicContact CB-CE3 3.7Å; R461-W485 HydrophobicContact CB-CH2 4.28Å; R461-W485 HydrophobicContact CB-CZ2 4.47Å; R461-W485 HydrophobicContact CB-CZ3 3.88Å; I480-W485 WeakPolarHBondContact CA-O 3.15Å; S481-W485 PolarHBondContact N-O 3.3Å; S481-W485 PolarHBondContact OG-N 3.14Å
486	Y	97.9	Very high	95	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.9	168.9	173.1	-108.7	0	0	0	111.5	T407 E409 N410 M459 V460 C479 I480 G484 T488	T407-Y486 HydrophobicContact CG2-CE1 4.39Å; E409-Y486 HydrophobicContact CB-CD2 4.46Å; E409-Y486 HydrophobicContact CB-CE1 3.98Å; E409-Y486 HydrophobicContact CB-CE2 3.78Å; E409-Y486 HydrophobicContact CG-CE2 4Å; E409-Y486 PolarHBondContact OE1-OH 3.46Å; N410-Y486 VanDerWaalsContact OD1-CD1 3.27Å; N410-Y486 WeakPolarHBondContact OD1-CD1 3.47Å; M459-Y486 CarbonylContact C-O 3.51Å; M459-Y486 WeakPolarHBondContact CA-O 3.45Å; V460-Y486 PolarHBondContact N-O 3.03Å; V460-Y486 PolarHBondContact O-N 3.29Å; C479-Y486 HydrophobicContact CB-CD2 4.28Å; C479-Y486 HydrophobicContact CB-CE2 4.15Å; C479-Y486 CarbonylContact O-C 3.52Å; C479-Y486 WeakPolarHBondContact O-CA 3.5Å; I480-Y486 HydrophobicContact CG1-CD2 3.94Å; G484-Y486 PolarHBondContact O-N 3.23Å; Y486-T488 HydrophobicContact CD1-CG2 4.15Å; Y486-T488 HydrophobicContact CE1-CG2 3.98Å
487	R	96	Very high	95	Very high	100 Å²	100	49 Å²	49	38%	0.377	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.9	174.8	-69.2	-175.3	75	166	13.8	110.1	E457 M459 C479 G489	E457-R487 WeakPolarHBondContact OE1-CB 3.25Å; E457-R487 IonicContact OE1-CZ 3.98Å; E457-R487 IonicContact OE1-NE 2.63Å; E457-R487 PolarHBondContact OE1-NE 3.35Å; E457-R487 IonicContact OE1-NH2 2.93Å; E457-R487 PolarHBondContact OE1-NH2 3.05Å; E457-R487 IonicContact OE2-CZ 2.92Å; E457-R487 IonicContact OE2-NE 2.62Å; E457-R487 PolarHBondContact OE2-NE 2.78Å; E457-R487 IonicContact OE2-NH2 2.65Å; E457-R487 PolarHBondContact OE2-NH2 3.18Å; M459-R487 HydrophobicContact CE-CG 3.54Å; M459-R487 HydrophobicContact CG-CG 4.39Å; C479-R487 WeakPolarHBondContact O-CB 3.47Å; C479-R487 PolarHBondContact O-N 2.98Å; R487-G489 VanDerWaalsContact C-N 3.33Å; R487-G489 PolarHBondContact O-N 3.43Å
488	T	94.1	Very high	95	Very high	12 Å²	12	43 Å²	43	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-27.3	-177.8	62.2	0	0	0	0	113.6	Y405 I458 V460 Y486 D490	Y405-T488 WeakPolarHBondContact OH-CB 3.27Å; Y405-T488 WeakPolarHBondContact OH-CG2 3.29Å; I458-T488 HydrophobicContact CB-CG2 4.25Å; I458-T488 HydrophobicContact CG2-CG2 4.28Å; I458-T488 WeakPolarHBondContact O-CB 3.47Å; I458-T488 VanDerWaalsContact O-CG2 3.29Å; I458-T488 WeakPolarHBondContact O-CG2 3.25Å; I458-T488 PolarHBondContact O-N 3.37Å; I458-T488 PolarHBondContact O-OG1 2.81Å; V460-T488 HydrophobicContact CG2-CG2 3.85Å; Y486-T488 HydrophobicContact CD1-CG2 4.15Å; Y486-T488 HydrophobicContact CE1-CG2 3.98Å; T488-D490 PolarHBondContact O-N 2.63Å; T488-D490 PolarHBondContact OG1-N 3.34Å; T488-D490 VanDerWaalsContact OG1-N 3.08Å
489	G	91.2	Very high	95.3	Very high	29 Å²	29	37.9 Å²	37.9	30%	0.299	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	1	-167.6	0	0	0	0	0	114.5	R487 I506	R487-G489 VanDerWaalsContact C-N 3.33Å; R487-G489 PolarHBondContact O-N 3.43Å; G489-I506 PolarHBondContact O-N 3.18Å
490	D	92.4	Very high	95.5	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.3	177.2	-60.4	-43.1	0	0	0	110.4	Y405 E457 I458 T488 R505	Y405-D490 HydrophobicContact CE2-CB 4.37Å; Y405-D490 VanDerWaalsContact CE2-OD2 3.31Å; Y405-D490 WeakPolarHBondContact CE2-OD2 3.42Å; Y405-D490 PolarHBondContact OH-OD2 2.64Å; E457-D490 WeakPolarHBondContact CA-O 3.44Å; I458-D490 HydrophobicContact CD1-CB 4.36Å; I458-D490 PolarHBondContact N-O 2.91Å; T488-D490 PolarHBondContact O-N 2.63Å; T488-D490 PolarHBondContact OG1-N 3.34Å; T488-D490 VanDerWaalsContact OG1-N 3.08Å; D490-R505 IonicContact OD1-CZ 3.73Å; D490-R505 IonicContact OD1-NE 2.82Å; D490-R505 PolarHBondContact OD1-NE 2.88Å; D490-R505 IonicContact OD1-NH2 3.21Å; D490-R505 PolarHBondContact OD1-NH2 2.94Å; D490-R505 VanDerWaalsContact OD1-NH2 3.07Å; D490-R505 IonicContact OD2-NH2 3.91Å
491	I	92.4	Very high	95.5	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.4	173.2	-61	-59.4	0	0	0	109.1	K455 G456 E457 D503 G504 I506 Y518	K455-I491 HydrophobicContact CB-CG2 3.98Å; G456-I491 CarbonylContact O-C 3.53Å; G456-I491 VanDerWaalsContact O-CA 3.29Å; G456-I491 WeakPolarHBondContact O-CA 3.33Å; E457-I491 HydrophobicContact CB-CD1 4.39Å; I491-D503 HydrophobicContact CG2-CB 4.02Å; I491-D503 PolarHBondContact O-N 3.38Å; I491-G504 PolarHBondContact N-O 3.05Å; I491-G504 PolarHBondContact O-N 3.06Å; I491-I506 HydrophobicContact CD1-CD1 3.94Å; I491-I506 HydrophobicContact CD1-CG1 3.4Å; I491-I506 HydrophobicContact CG1-CG1 3.76Å; I491-Y518 HydrophobicContact CB-CE1 4.25Å; I491-Y518 HydrophobicContact CG1-CE1 3.92Å; I491-Y518 HydrophobicContact CG2-CE1 4.28Å
492	G	95.7	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-175.1	173.2	0	0	0	0	0	113	I441 K455 G456 K501 D503	I441-G492 VanDerWaalsContact CG2-O 3.28Å; I441-G492 WeakPolarHBondContact CG2-O 3.48Å; K455-G492 WeakPolarHBondContact CA-O 3.16Å; G456-G492 PolarHBondContact N-O 2.65Å; G456-G492 PolarHBondContact O-N 2.9Å; G492-K501 CarbonylContact C-O 3.58Å; G492-K501 WeakPolarHBondContact CA-O 3.5Å; G492-D503 WeakPolarHBondContact CA-OD2 3.32Å
493	S	96.9	Very high	94.8	Very high	13 Å²	13	30.6 Å²	30.6	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.5	178	46.5	0	0	0	0	110.6	C500 K501 D503	S493-C500 WeakPolarHBondContact O-CA 3.42Å; S493-C500 PolarHBondContact O-SG 2.84Å; S493-K501 PolarHBondContact N-O 2.67Å; S493-K501 PolarHBondContact O-N 3.1Å; S493-D503 PolarHBondContact OG-OD2 3.15Å
494	L	97.6	Very high	94.1	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.2	175.1	-72.6	172.7	0	0	0	110.4	V61 F415 I441 L452 G453 Y499 C500	V61-L494 HydrophobicContact CB-CD1 4.13Å; V61-L494 HydrophobicContact CG1-CD1 3.85Å; V61-L494 HydrophobicContact CG1-CD2 4.34Å; F415-L494 HydrophobicContact CE1-CD2 3.8Å; F415-L494 HydrophobicContact CZ-CD2 4Å; I441-L494 HydrophobicContact CD1-CG 4.21Å; I441-L494 HydrophobicContact CG1-CB 4.47Å; I441-L494 HydrophobicContact CG1-CD1 4.02Å; I441-L494 HydrophobicContact CG1-CG 3.87Å; L452-L494 HydrophobicContact CD1-CB 4.34Å; L452-L494 WeakPolarHBondContact CD1-O 3.49Å; G453-L494 WeakPolarHBondContact CA-O 3.31Å; G453-L494 PolarHBondContact N-O 2.75Å; L494-Y499 WeakPolarHBondContact CA-O 3.31Å; L494-C500 HydrophobicContact CD2-CB 3.86Å
495	D	96.1	Very high	93.5	Very high	41 Å²	41	29 Å²	29	22%	0.219	14%	0.143	C	C	.	.			trans	-94.1	176.8	169.4	87.3	-13.4	0	0	0	112.8	R425 Y497 G498 Y499	R425-D495 IonicContact CZ-OD2 3.2Å; R425-D495 IonicContact NH1-OD2 2.71Å; R425-D495 PolarHBondContact NH1-OD2 3.11Å; R425-D495 IonicContact NH2-OD2 2.82Å; R425-D495 PolarHBondContact NH2-OD2 2.68Å; D495-Y497 PolarHBondContact O-N 3.21Å; D495-Y497 VanDerWaalsContact O-N 3.15Å; D495-Y497 WeakPolarHBondContact OD1-CA 3.3Å; D495-Y497 WeakPolarHBondContact OD1-CB 3.3Å; D495-Y497 PolarHBondContact OD1-N 3.05Å; D495-G498 PolarHBondContact O-N 2.87Å; D495-G498 PolarHBondContact OD1-N 3.08Å; D495-Y499 PolarHBondContact N-O 2.8Å; D495-Y499 VanDerWaalsContact N-O 3.09Å; D495-Y499 PolarHBondContact OD1-N 2.81Å
496	A	95.4	Very high	92.5	Very high	31 Å²	31	30.8 Å²	30.8	26%	0.256	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17	-178.3	0	0	0	0	0	114.6	P54 T55 L56 L452	P54-A496 CarbonylContact C-O 3.51Å; P54-A496 VanDerWaalsContact CA-O 3.26Å; P54-A496 WeakPolarHBondContact CA-O 3.4Å; P54-A496 HydrophobicContact CB-CB 3.62Å; T55-A496 PolarHBondContact N-O 2.83Å; L56-A496 PolarHBondContact N-O 3.18Å; L452-A496 HydrophobicContact CD2-CB 3.99Å
497	Y	95	Very high	91.5	Very high	81 Å²	81	35.8 Å²	35.8	32%	0.318	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.2	176.3	-58.2	-93.2	0	0	0	112.1	I45 P51 P54 D495 Y499	I45-Y497 WeakPolarHBondContact CD1-O 3.4Å; P51-Y497 VanDerWaalsContact CB-O 3.25Å; P51-Y497 WeakPolarHBondContact CB-O 3.45Å; P51-Y497 WeakPolarHBondContact O-CD1 3.03Å; P54-Y497 HydrophobicContact CB-CD1 4.34Å; P54-Y497 HydrophobicContact CB-CD2 4.45Å; P54-Y497 HydrophobicContact CB-CE1 4.06Å; P54-Y497 HydrophobicContact CB-CE2 4.17Å; P54-Y497 HydrophobicContact CG-CE1 4.21Å; D495-Y497 PolarHBondContact O-N 3.21Å; D495-Y497 VanDerWaalsContact O-N 3.15Å; D495-Y497 WeakPolarHBondContact OD1-CA 3.3Å; D495-Y497 WeakPolarHBondContact OD1-CB 3.3Å; D495-Y497 PolarHBondContact OD1-N 3.05Å; Y497-Y499 VanDerWaalsContact C-N 3.31Å
498	G	95.4	Very high	90.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.			trans	74.9	15.9	-177.5	0	0	0	0	0	115	Y432 D495	Y432-G498 WeakPolarHBondContact CA-O 3.38Å; D495-G498 PolarHBondContact O-N 2.87Å; D495-G498 PolarHBondContact OD1-N 3.08Å
499	Y	97.4	Very high	89.8	Confident	9 Å²	9	33.7 Å²	33.7	4%	0.035	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-75.7	138	168.1	-77.2	-108	0	0	0	109.5	P51 D421 R425 T429 G431 Y432 L494 D495 Y497	P51-Y499 HydrophobicContact CG-CE2 4.46Å; D421-Y499 PolarHBondContact OD1-OH 3.11Å; R425-Y499 HydrophobicContact CB-CE1 4.18Å; R425-Y499 HydrophobicContact CG-CD1 4.44Å; R425-Y499 HydrophobicContact CG-CE1 4.06Å; T429-Y499 HydrophobicContact CG2-CD1 4.32Å; T429-Y499 WeakPolarHBondContact OG1-CD1 3.24Å; G431-Y499 CarbonylContact O-C 3.55Å; G431-Y499 WeakPolarHBondContact O-CA 3.48Å; Y432-Y499 AromaticContact CD1-CE1 3.89Å; Y432-Y499 HydrophobicContact CD1-CE1 3.89Å; Y432-Y499 HydrophobicContact CD1-CE2 4.02Å; Y432-Y499 AromaticContact CD1-CZ 3.61Å; L494-Y499 WeakPolarHBondContact CA-O 3.31Å; D495-Y499 PolarHBondContact N-O 2.8Å; D495-Y499 VanDerWaalsContact N-O 3.09Å; D495-Y499 PolarHBondContact OD1-N 2.81Å; Y497-Y499 VanDerWaalsContact C-N 3.31Å
500	C	97.8	Very high	89.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.5	-178.9	-172.8	0	0	0	0	111.8	F415 T429 V430 G431 S493 L494	F415-C500 HydrophobicContact CD1-CB 3.43Å; F415-C500 VanDerWaalsContact CD1-CB 3.43Å; F415-C500 HydrophobicContact CD2-CB 4.26Å; F415-C500 HydrophobicContact CE1-CB 3.51Å; F415-C500 HydrophobicContact CE2-CB 4.29Å; F415-C500 HydrophobicContact CG-CB 3.84Å; F415-C500 HydrophobicContact CZ-CB 3.93Å; T429-C500 VanDerWaalsContact CA-O 3.32Å; T429-C500 WeakPolarHBondContact CA-O 3.32Å; T429-C500 VanDerWaalsContact CB-O 3.32Å; T429-C500 WeakPolarHBondContact CB-O 3.35Å; V430-C500 HydrophobicContact CG2-CB 3.96Å; V430-C500 WeakPolarHBondContact CG2-O 3.28Å; V430-C500 PolarHBondContact N-O 3.16Å; G431-C500 PolarHBondContact O-N 2.7Å; S493-C500 WeakPolarHBondContact O-CA 3.42Å; S493-C500 PolarHBondContact O-SG 2.84Å; L494-C500 HydrophobicContact CD2-CB 3.86Å
501	K	95.3	Very high	88.6	Confident	75 Å²	75	36 Å²	36	33%	0.326	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.6	165.2	-56.3	-160.5	167.9	-175.4	0	108.9	E428 T429 G492 S493	E428-K501 VanDerWaalsContact O-CD 3.29Å; E428-K501 WeakPolarHBondContact O-CD 3.32Å; E428-K501 VanDerWaalsContact O-CE 3.25Å; E428-K501 WeakPolarHBondContact O-CE 3.21Å; E428-K501 VanDerWaalsContact O-CG 3.25Å; E428-K501 WeakPolarHBondContact O-CG 3.14Å; E428-K501 IonicContact OE2-NZ 2.77Å; E428-K501 PolarHBondContact OE2-NZ 3.02Å; T429-K501 HydrophobicContact CG2-CG 4.32Å; G492-K501 CarbonylContact C-O 3.58Å; G492-K501 WeakPolarHBondContact CA-O 3.5Å; S493-K501 PolarHBondContact N-O 2.67Å; S493-K501 PolarHBondContact O-N 3.1Å
502	I	90.8	Very high	88.1	Confident	53 Å²	53	37.9 Å²	37.9	27%	0.272	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	175.3	-53.4	-59.3	0	0	0	108.1	Y405 V430 I458	Y405-I502 HydrophobicContact CD1-CD1 3.95Å; Y405-I502 HydrophobicContact CD2-CD1 3.6Å; Y405-I502 HydrophobicContact CD2-CG1 3.74Å; Y405-I502 HydrophobicContact CE1-CD1 4.13Å; Y405-I502 HydrophobicContact CE2-CD1 3.79Å; Y405-I502 HydrophobicContact CE2-CG1 4.28Å; Y405-I502 HydrophobicContact CG-CD1 3.7Å; Y405-I502 HydrophobicContact CG-CG1 4.01Å; V430-I502 HydrophobicContact CB-CG1 4.39Å; V430-I502 HydrophobicContact CG1-CG1 3.72Å; V430-I502 HydrophobicContact CG2-CD1 4Å; V430-I502 HydrophobicContact CG2-CG1 3.77Å; I458-I502 HydrophobicContact CD1-CD1 3.38Å
503	D	84.6	Confident	87.2	Confident	22 Å²	22	40 Å²	40	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-22	-174.2	-68.3	-75.4	0	0	0	112.6	K455 I491 G492 S493	K455-D503 HydrophobicContact CD-CB 4.02Å; K455-D503 WeakPolarHBondContact CE-OD1 3.32Å; K455-D503 IonicContact NZ-OD1 2.7Å; K455-D503 PolarHBondContact NZ-OD1 3.41Å; I491-D503 HydrophobicContact CG2-CB 4.02Å; I491-D503 PolarHBondContact O-N 3.38Å; G492-D503 WeakPolarHBondContact CA-OD2 3.32Å; S493-D503 PolarHBondContact OG-OD2 3.15Å
504	G	81.3	Confident	85.6	Confident	10 Å²	10	43.1 Å²	43.1	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-159.4	177.1	0	0	0	0	0	113.1	I491	I491-G504 PolarHBondContact N-O 3.05Å; I491-G504 PolarHBondContact O-N 3.06Å
505	R	81.4	Confident	84.2	Confident	99 Å²	99	47 Å²	47	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.1	173.6	-39.1	-162.8	97.2	176.9	6.4	110.2	D490 K507 D508 M509	D490-R505 IonicContact OD1-CZ 3.73Å; D490-R505 IonicContact OD1-NE 2.82Å; D490-R505 PolarHBondContact OD1-NE 2.88Å; D490-R505 IonicContact OD1-NH2 3.21Å; D490-R505 PolarHBondContact OD1-NH2 2.94Å; D490-R505 VanDerWaalsContact OD1-NH2 3.07Å; D490-R505 IonicContact OD2-NH2 3.91Å; R505-K507 PolarHBondContact O-N 3.16Å; R505-D508 HydrophobicContact CB-CB 4.11Å; R505-D508 VanDerWaalsContact CD-OD2 3.31Å; R505-D508 WeakPolarHBondContact CD-OD2 3.49Å; R505-D508 VanDerWaalsContact CG-OD2 3.3Å; R505-D508 WeakPolarHBondContact CG-OD2 3.38Å; R505-D508 PolarHBondContact O-N 3.32Å; R505-D508 VanDerWaalsContact O-N 3.11Å; R505-M509 PolarHBondContact O-N 2.89Å
506	I	78.6	Confident	83	Confident	53 Å²	53	49.1 Å²	49.1	27%	0.272	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.5	177.3	-71.2	167.8	0	0	0	111.3	P444 E457 G489 I491 M509	P444-I506 HydrophobicContact CB-CD1 4.19Å; E457-I506 HydrophobicContact CB-CD1 3.98Å; E457-I506 HydrophobicContact CG-CD1 3.75Å; G489-I506 PolarHBondContact O-N 3.18Å; I491-I506 HydrophobicContact CD1-CD1 3.94Å; I491-I506 HydrophobicContact CD1-CG1 3.4Å; I491-I506 HydrophobicContact CG1-CG1 3.76Å; I506-M509 VanDerWaalsContact O-CB 3.3Å; I506-M509 WeakPolarHBondContact O-CB 3.47Å
507	K	75.3	Confident	82.2	Confident	111 Å²	111	47.7 Å²	47.7	48%	0.483	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.4	-177	-65.2	179.5	173.9	-171.8	0	114.8	T265 T266 R505	T265-K507 WeakPolarHBondContact OG1-CD 3.38Å; T265-K507 PolarHBondContact OG1-NZ 3.39Å; T266-K507 HydrophobicContact CG2-CD 4.02Å; T266-K507 PolarHBondContact OG1-NZ 3.2Å; R505-K507 PolarHBondContact O-N 3.16Å
508	D	76.1	Confident	81.5	Confident	33 Å²	33	45.6 Å²	45.6	18%	0.176	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.1	174.9	-66.3	-20.5	0	0	0	111.4	R505 I510 P519	R505-D508 HydrophobicContact CB-CB 4.11Å; R505-D508 VanDerWaalsContact CD-OD2 3.31Å; R505-D508 WeakPolarHBondContact CD-OD2 3.49Å; R505-D508 VanDerWaalsContact CG-OD2 3.3Å; R505-D508 WeakPolarHBondContact CG-OD2 3.38Å; R505-D508 PolarHBondContact O-N 3.32Å; R505-D508 VanDerWaalsContact O-N 3.11Å; D508-I510 PolarHBondContact O-N 3.02Å; D508-P519 HydrophobicContact CB-CG 4.4Å; D508-P519 WeakPolarHBondContact O-CD 3.33Å; D508-P519 WeakPolarHBondContact O-CG 3.46Å
509	M	79.1	Confident	81	Confident	36 Å²	36	45.7 Å²	45.7	18%	0.177	25%	0.248	C	C	.	.			trans	-57.9	123.5	175.4	-172.3	178.7	74	0	0	110.4	R505 I506 I511 N516 Y518	R505-M509 PolarHBondContact O-N 2.89Å; I506-M509 VanDerWaalsContact O-CB 3.3Å; I506-M509 WeakPolarHBondContact O-CB 3.47Å; M509-I511 HydrophobicContact CE-CD1 4.15Å; M509-I511 HydrophobicContact CE-CG1 4.03Å; M509-N516 HydrophobicContact CE-CB 4.43Å; M509-N516 WeakPolarHBondContact CE-OD1 3.23Å; M509-N516 HydrophobicContact CG-CB 4.17Å; M509-N516 HydrophobicContact SD-CB 3.66Å; M509-Y518 HydrophobicContact CB-CD1 4.36Å; M509-Y518 HydrophobicContact CB-CE1 4.19Å; M509-Y518 HydrophobicContact CG-CD1 4.23Å; M509-Y518 HydrophobicContact CG-CE1 3.89Å; M509-Y518 HydrophobicContact SD-CE1 3.84Å
510	I	82.8	Confident	80.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.2	178.1	-54	174.9	0	0	0	107.8	D508 R512 I517 P519 V537 V538 E547 V549	D508-I510 PolarHBondContact O-N 3.02Å; I510-R512 HydrophobicContact CG2-CB 4.48Å; I510-R512 PolarHBondContact O-N 3.47Å; I510-I517 HydrophobicContact CB-CB 4.18Å; I510-I517 PolarHBondContact N-O 2.99Å; I510-I517 PolarHBondContact O-N 3.33Å; I510-P519 HydrophobicContact CD1-CG 4Å; I510-P519 HydrophobicContact CG1-CG 3.98Å; I510-V537 HydrophobicContact CD1-CG1 3.95Å; I510-V538 VanDerWaalsContact CD1-C 3.47Å; I510-E547 WeakPolarHBondContact CA-OE2 3.37Å; I510-E547 HydrophobicContact CG2-CB 3.66Å; I510-V549 HydrophobicContact CD1-CG2 4.21Å
511	I	76.8	Confident	79.1	Confident	85 Å²	85	48.7 Å²	48.7	44%	0.436	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	92.8	178.2	-55.6	-179.9	0	0	0	108.1	M509 E547	M509-I511 HydrophobicContact CE-CD1 4.15Å; M509-I511 HydrophobicContact CE-CG1 4.03Å; I511-E547 PolarHBondContact N-OE2 2.94Å; I511-E547 PolarHBondContact O-N 3.36Å
512	R	80.6	Confident	78.7	Confident	42 Å²	42	45.2 Å²	45.2	16%	0.158	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	90.4	-175.5	-178.2	174.2	-172.8	-76.3	-11.2	110.3	I510 G514 E515 I517 M545 E547 E548	I510-R512 HydrophobicContact CG2-CB 4.48Å; I510-R512 PolarHBondContact O-N 3.47Å; R512-G514 PolarHBondContact O-N 3.1Å; R512-G514 VanDerWaalsContact O-N 3.14Å; R512-E515 PolarHBondContact N-O 2.98Å; R512-E515 PolarHBondContact O-N 3.38Å; R512-I517 HydrophobicContact CB-CD1 3.68Å; R512-I517 HydrophobicContact CG-CD1 4.27Å; R512-M545 HydrophobicContact CG-CB 4.29Å; R512-M545 HydrophobicContact CG-CE 3.81Å; R512-E547 WeakPolarHBondContact CG-O 3.42Å; R512-E548 IonicContact CZ-OE1 3.84Å; R512-E548 IonicContact CZ-OE2 3.08Å; R512-E548 VanDerWaalsContact NE-CD 3.3Å; R512-E548 IonicContact NE-OE1 3.06Å; R512-E548 IonicContact NE-OE2 3.84Å; R512-E548 PolarHBondContact NE-OE2 2.84Å; R512-E548 IonicContact NH2-OE1 2.93Å; R512-E548 PolarHBondContact NH2-OE1 3.21Å; R512-E548 IonicContact NH2-OE2 3.65Å; R512-E548 PolarHBondContact NH2-OE2 2.95Å
513	G	76.9	Confident	78.6	Confident	45 Å²	45	43.2 Å²	43.2	46%	0.464	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-106.7	-173.7	0	0	0	0	0	110.5	M545	G513-M545 PolarHBondContact N-O 2.89Å
514	G	63.3	Low	78.3	Confident	78 Å²	78	47.2 Å²	47.2	80%	0.804	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-4	173.2	0	0	0	0	0	114.7	R512	R512-G514 PolarHBondContact O-N 3.1Å; R512-G514 VanDerWaalsContact O-N 3.14Å
515	E	68.5	Low	78.5	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.1	-172.7	-61.9	-64.8	168.4	0	0	112.1	R512 I517 F577	R512-E515 PolarHBondContact N-O 2.98Å; R512-E515 PolarHBondContact O-N 3.38Å; E515-I517 HydrophobicContact CB-CD1 4.39Å; E515-I517 HydrophobicContact CB-CG1 4.13Å; E515-F577 HydrophobicContact CB-CD2 4.03Å; E515-F577 HydrophobicContact CB-CE2 4.41Å; E515-F577 HydrophobicContact CB-CG 4.42Å; E515-F577 HydrophobicContact CG-CB 4.12Å; E515-F577 HydrophobicContact CG-CD1 4.24Å; E515-F577 HydrophobicContact CG-CD2 3.94Å; E515-F577 HydrophobicContact CG-CE2 4.37Å; E515-F577 HydrophobicContact CG-CG 3.86Å
516	N	71.8	Confident	78.9	Confident	86 Å²	86	43.6 Å²	43.6	46%	0.46	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	102.8	171.4	-75.4	-30.5	0	0	0	109.3	M509	M509-N516 HydrophobicContact CE-CB 4.43Å; M509-N516 WeakPolarHBondContact CE-OD1 3.23Å; M509-N516 HydrophobicContact CG-CB 4.17Å; M509-N516 HydrophobicContact SD-CB 3.66Å
517	I	77.8	Confident	79.4	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.3	-173.4	-60.5	171.6	0	0	0	109.6	I510 R512 E515 P519 I522 V549 F577 K578	I510-I517 HydrophobicContact CB-CB 4.18Å; I510-I517 PolarHBondContact N-O 2.99Å; I510-I517 PolarHBondContact O-N 3.33Å; R512-I517 HydrophobicContact CB-CD1 3.68Å; R512-I517 HydrophobicContact CG-CD1 4.27Å; E515-I517 HydrophobicContact CB-CD1 4.39Å; E515-I517 HydrophobicContact CB-CG1 4.13Å; I517-P519 WeakPolarHBondContact O-CD 3.34Å; I517-I522 HydrophobicContact CG2-CD1 3.49Å; I517-I522 VanDerWaalsContact CG2-CD1 3.49Å; I517-V549 HydrophobicContact CD1-CG2 3.79Å; I517-V549 HydrophobicContact CG2-CG2 4.27Å; I517-F577 HydrophobicContact CD1-CD2 3.95Å; I517-F577 WeakPolarHBondContact CD1-O 3.43Å; I517-F577 HydrophobicContact CG1-CD2 3.91Å; I517-F577 HydrophobicContact CG1-CE2 4.31Å; I517-K578 HydrophobicContact CG2-CG 4.44Å
518	Y	80.3	Confident	79.8	Confident	37 Å²	37	41.4 Å²	41.4	15%	0.145	24%	0.238	C	C	.	.			trans	-91.1	117.1	175.2	-60.9	-74.3	0	0	0	110.2	I491 M509 A520 E521	I491-Y518 HydrophobicContact CB-CE1 4.25Å; I491-Y518 HydrophobicContact CG1-CE1 3.92Å; I491-Y518 HydrophobicContact CG2-CE1 4.28Å; M509-Y518 HydrophobicContact CB-CD1 4.36Å; M509-Y518 HydrophobicContact CB-CE1 4.19Å; M509-Y518 HydrophobicContact CG-CD1 4.23Å; M509-Y518 HydrophobicContact CG-CE1 3.89Å; M509-Y518 HydrophobicContact SD-CE1 3.84Å; Y518-A520 PolarHBondContact O-N 3Å; Y518-E521 PolarHBondContact O-N 2.66Å
519	P	85.6	Confident	80.5	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.019	23%	0.231	C	C	.	.	H	α-helix	trans	-54.7	-37.1	-178.6	-30.8	37	0	0	0	114.4	D508 I510 I517 E521 I522 E523 V537	D508-P519 HydrophobicContact CB-CG 4.4Å; D508-P519 WeakPolarHBondContact O-CD 3.33Å; D508-P519 WeakPolarHBondContact O-CG 3.46Å; I510-P519 HydrophobicContact CD1-CG 4Å; I510-P519 HydrophobicContact CG1-CG 3.98Å; I517-P519 WeakPolarHBondContact O-CD 3.34Å; P519-E521 VanDerWaalsContact C-N 3.26Å; P519-E521 PolarHBondContact O-N 2.62Å; P519-I522 PolarHBondContact O-N 3.19Å; P519-E523 WeakPolarHBondContact CB-OE1 3.3Å; P519-E523 VanDerWaalsContact O-CG 3.3Å; P519-E523 WeakPolarHBondContact O-CG 3.46Å; P519-E523 PolarHBondContact O-N 2.59Å; P519-V537 HydrophobicContact CB-CB 3.86Å; P519-V537 HydrophobicContact CB-CG1 3.96Å; P519-V537 WeakPolarHBondContact CB-O 3.33Å
520	A	77.1	Confident	81	Confident	22 Å²	22	43.7 Å²	43.7	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-35.1	-176.7	0	0	0	0	0	113	Y518 I522 E523 Q524	Y518-A520 PolarHBondContact O-N 3Å; A520-I522 VanDerWaalsContact C-N 3.32Å; A520-I522 PolarHBondContact O-N 2.89Å; A520-E523 PolarHBondContact O-N 3.47Å; A520-Q524 VanDerWaalsContact O-CB 3.3Å; A520-Q524 WeakPolarHBondContact O-CB 3.46Å; A520-Q524 PolarHBondContact O-N 3.47Å
521	E	77.2	Confident	81.6	Confident	50 Å²	50	45.8 Å²	45.8	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-38	176.6	-61.4	-178.9	176.4	0	0	111.7	K455 Y518 P519 F525 K578	K455-E521 IonicContact NZ-OE1 3.22Å; K455-E521 PolarHBondContact NZ-OE1 2.99Å; Y518-E521 PolarHBondContact O-N 2.66Å; P519-E521 VanDerWaalsContact C-N 3.26Å; P519-E521 PolarHBondContact O-N 2.62Å; E521-F525 PolarHBondContact O-N 3.24Å; E521-K578 IonicContact OE2-NZ 3.9Å; E521-K578 PolarHBondContact OE2-NZ 3.25Å
522	I	87.2	Confident	82.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-78.1	-40.3	179.6	-55.6	167.3	0	0	0	109.7	I517 P519 A520 F525 L526 V537 V549 K578 P580	I517-I522 HydrophobicContact CG2-CD1 3.49Å; I517-I522 VanDerWaalsContact CG2-CD1 3.49Å; P519-I522 PolarHBondContact O-N 3.19Å; A520-I522 VanDerWaalsContact C-N 3.32Å; A520-I522 PolarHBondContact O-N 2.89Å; I522-F525 PolarHBondContact O-N 2.82Å; I522-L526 HydrophobicContact CG2-CD1 3.97Å; I522-L526 HydrophobicContact CG2-CG 4.27Å; I522-L526 WeakPolarHBondContact O-CB 3.3Å; I522-L526 VanDerWaalsContact O-CG 3.29Å; I522-L526 WeakPolarHBondContact O-CG 3.45Å; I522-L526 PolarHBondContact O-N 3.02Å; I522-V537 HydrophobicContact CB-CG1 4.45Å; I522-V537 HydrophobicContact CB-CG2 4.05Å; I522-V537 HydrophobicContact CD1-CG1 4.19Å; I522-V537 HydrophobicContact CG2-CG2 3.8Å; I522-V549 HydrophobicContact CD1-CG1 3.86Å; I522-V549 HydrophobicContact CD1-CG2 4.44Å; I522-K578 HydrophobicContact CD1-CB 3.98Å; I522-K578 VanDerWaalsContact CD1-O 3.27Å; I522-K578 WeakPolarHBondContact CD1-O 3.37Å; I522-K578 HydrophobicContact CG1-CB 4.06Å; I522-P580 HydrophobicContact CG2-CG 4.06Å
523	E	88.4	Confident	82.7	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-51.3	173.3	-71.2	162.7	-168.1	0	0	110.7	P519 A520 F525 L526 H527 V537 K599	P519-E523 WeakPolarHBondContact CB-OE1 3.3Å; P519-E523 VanDerWaalsContact O-CG 3.3Å; P519-E523 WeakPolarHBondContact O-CG 3.46Å; P519-E523 PolarHBondContact O-N 2.59Å; A520-E523 PolarHBondContact O-N 3.47Å; E523-F525 VanDerWaalsContact C-N 3.3Å; E523-F525 PolarHBondContact O-N 3.31Å; E523-L526 PolarHBondContact O-N 2.74Å; E523-H527 PolarHBondContact O-N 3.07Å; E523-H527 PolarHBondContact O-ND1 3.03Å; E523-V537 HydrophobicContact CG-CB 3.91Å; E523-V537 HydrophobicContact CG-CG2 3.81Å; E523-V537 PolarHBondContact OE1-N 2.8Å; E523-K599 WeakPolarHBondContact OE1-CE 3.38Å; E523-K599 IonicContact OE1-NZ 2.72Å; E523-K599 PolarHBondContact OE1-NZ 3.41Å; E523-K599 IonicContact OE2-NZ 2.74Å; E523-K599 PolarHBondContact OE2-NZ 3.22Å
524	Q	77.8	Confident	83.3	Confident	107 Å²	107	43 Å²	43	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-58.2	-41.6	178.3	-177.5	179.3	-9.8	0	0	112	A520	A520-Q524 VanDerWaalsContact O-CB 3.3Å; A520-Q524 WeakPolarHBondContact O-CB 3.46Å; A520-Q524 PolarHBondContact O-N 3.47Å
525	F	85.4	Confident	84.7	Confident	33 Å²	33	39.3 Å²	39.3	15%	0.145	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-44.5	175.4	177.2	-98.7	0	0	0	112.6	E521 I522 E523 H527 T528 Y569 C570 Q573 I574	E521-F525 PolarHBondContact O-N 3.24Å; I522-F525 PolarHBondContact O-N 2.82Å; E523-F525 VanDerWaalsContact C-N 3.3Å; E523-F525 PolarHBondContact O-N 3.31Å; F525-H527 VanDerWaalsContact C-N 3.25Å; F525-H527 PolarHBondContact O-N 2.91Å; F525-T528 PolarHBondContact O-N 2.89Å; F525-T528 PolarHBondContact O-OG1 2.62Å; F525-Y569 AromaticContact CE1-CD1 3.58Å; F525-Y569 HydrophobicContact CE1-CD1 3.58Å; F525-Y569 AromaticContact CE1-CE1 3.8Å; F525-Y569 HydrophobicContact CE1-CE1 3.8Å; F525-Y569 HydrophobicContact CE2-CE1 4.11Å; F525-Y569 AromaticContact CZ-CD1 3.54Å; F525-Y569 HydrophobicContact CZ-CD1 3.54Å; F525-Y569 AromaticContact CZ-CE1 3.48Å; F525-Y569 HydrophobicContact CZ-CE1 3.48Å; F525-Y569 VanDerWaalsContact CZ-CE1 3.48Å; F525-C570 HydrophobicContact CE1-CB 4.25Å; F525-Q573 HydrophobicContact CE1-CB 4.48Å; F525-Q573 HydrophobicContact CE2-CB 3.57Å; F525-Q573 HydrophobicContact CE2-CG 4.3Å; F525-Q573 HydrophobicContact CZ-CB 3.43Å; F525-Q573 VanDerWaalsContact CZ-CB 3.43Å; F525-Q573 HydrophobicContact CZ-CG 4.03Å; F525-I574 HydrophobicContact CB-CG2 4.25Å; F525-I574 HydrophobicContact CD1-CD1 4.2Å; F525-I574 HydrophobicContact CD1-CG2 3.87Å; F525-I574 HydrophobicContact CD2-CG2 3.8Å; F525-I574 HydrophobicContact CE1-CG2 4.21Å; F525-I574 HydrophobicContact CE2-CG2 4.14Å; F525-I574 HydrophobicContact CG-CG2 3.66Å; F525-I574 HydrophobicContact CZ-CG2 4.34Å
526	L	90.3	Very high	85.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-31.6	179.1	-72.2	172.8	0	0	0	112.4	I522 E523 T528 H529 V532 A535 V537 A551 I553 I566	I522-L526 HydrophobicContact CG2-CD1 3.97Å; I522-L526 HydrophobicContact CG2-CG 4.27Å; I522-L526 WeakPolarHBondContact O-CB 3.3Å; I522-L526 VanDerWaalsContact O-CG 3.29Å; I522-L526 WeakPolarHBondContact O-CG 3.45Å; I522-L526 PolarHBondContact O-N 3.02Å; E523-L526 PolarHBondContact O-N 2.74Å; L526-T528 PolarHBondContact O-N 2.8Å; L526-H529 VanDerWaalsContact O-CB 3.29Å; L526-H529 WeakPolarHBondContact O-CB 3.04Å; L526-H529 PolarHBondContact O-N 2.82Å; L526-H529 VanDerWaalsContact O-N 3.08Å; L526-V532 WeakPolarHBondContact O-CB 3.37Å; L526-V532 WeakPolarHBondContact O-CG1 3.44Å; L526-A535 HydrophobicContact CB-CB 3.63Å; L526-A535 HydrophobicContact CD1-CB 4.08Å; L526-V537 HydrophobicContact CD1-CG2 4.04Å; L526-A551 HydrophobicContact CD1-CB 3.73Å; L526-I553 HydrophobicContact CD1-CD1 4.35Å; L526-I553 HydrophobicContact CD2-CD1 4.4Å; L526-I566 HydrophobicContact CD2-CG2 3.67Å
527	H	88.5	Confident	86.9	Confident	52 Å²	52	32.2 Å²	32.2	24%	0.241	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-8.1	172.9	-69.7	106.8	0	0	0	114.6	E523 F525 E534 A535	E523-H527 PolarHBondContact O-N 3.07Å; E523-H527 PolarHBondContact O-ND1 3.03Å; F525-H527 VanDerWaalsContact C-N 3.25Å; F525-H527 PolarHBondContact O-N 2.91Å; H527-E534 WeakPolarHBondContact NE2-CA 3.16Å; H527-A535 PolarHBondContact CE1-O 3.26Å; H527-A535 VanDerWaalsContact CE1-O 3.23Å; H527-A535 PolarHBondContact NE2-N 3.06Å
528	T	85.2	Confident	87.6	Confident	66 Å²	66	32.3 Å²	32.3	41%	0.405	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.1	169.9	75.5	0	0	0	0	113	F525 L526 Y569	F525-T528 PolarHBondContact O-N 2.89Å; F525-T528 PolarHBondContact O-OG1 2.62Å; L526-T528 PolarHBondContact O-N 2.8Å; T528-Y569 PolarHBondContact O-OH 3.12Å; T528-Y569 VanDerWaalsContact O-OH 3.08Å; T528-Y569 PolarHBondContact OG1-OH 2.9Å
529	H	89.8	Confident	88.1	Confident	8 Å²	8	30.6 Å²	30.6	4%	0.037	16%	0.16	C	C	.	.	S	Bend	trans	-74.1	126.7	177.5	-172.1	-83.7	0	0	0	110.4	L526 K531 V532 E565 Y569	L526-H529 VanDerWaalsContact O-CB 3.29Å; L526-H529 WeakPolarHBondContact O-CB 3.04Å; L526-H529 PolarHBondContact O-N 2.82Å; L526-H529 VanDerWaalsContact O-N 3.08Å; H529-K531 PolarHBondContact ND1-N 3.29Å; H529-K531 PolarHBondContact O-N 3.22Å; H529-V532 HydrophobicContact CB-CB 4.13Å; H529-V532 HydrophobicContact CB-CG2 3.71Å; H529-V532 PolarHBondContact O-N 3Å; H529-E565 IonicContact CE1-OE1 2.72Å; H529-Y569 HydrophobicContact CB-CD1 4.25Å; H529-Y569 HydrophobicContact CB-CE1 4.01Å; H529-Y569 AromaticContact CD2-CD1 3.74Å; H529-Y569 AromaticContact CD2-CD2 3.61Å; H529-Y569 AromaticContact CD2-CG 3.45Å; H529-Y569 VanDerWaalsContact CD2-CG 3.45Å
530	P	90.4	Very high	88.5	Confident	108 Å²	108	30.6 Å²	30.6	70%	0.701	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24	-169.1	24.4	-35.1	0	0	0	114.4
531	K	94.8	Very high	88.9	Confident	45 Å²	45	36.8 Å²	36.8	20%	0.196	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.2	176.2	-54.2	-175.4	178.3	173	0	114.4	H529 L555 V556 Q559 E560 C561 E565	H529-K531 PolarHBondContact ND1-N 3.29Å; H529-K531 PolarHBondContact O-N 3.22Å; K531-L555 HydrophobicContact CB-CD2 4.29Å; K531-L555 CarbonylContact O-C 3.5Å; K531-L555 VanDerWaalsContact O-CA 3.29Å; K531-L555 WeakPolarHBondContact O-CA 3.33Å; K531-L555 VanDerWaalsContact O-CD2 3.32Å; K531-L555 WeakPolarHBondContact O-CD2 3.38Å; K531-V556 PolarHBondContact O-N 2.82Å; K531-Q559 HydrophobicContact CB-CB 4.22Å; K531-Q559 HydrophobicContact CG-CB 4.37Å; K531-Q559 HydrophobicContact CG-CG 4.49Å; K531-E560 VanDerWaalsContact CD-O 3.24Å; K531-E560 WeakPolarHBondContact CD-O 3.36Å; K531-E560 WeakPolarHBondContact CE-O 3.43Å; K531-E560 PolarHBondContact NZ-O 3.04Å; K531-C561 HydrophobicContact CB-CB 4.47Å; K531-C561 HydrophobicContact CD-CB 3.89Å; K531-E565 WeakPolarHBondContact CE-OE1 3.38Å; K531-E565 IonicContact NZ-OE1 2.67Å; K531-E565 PolarHBondContact NZ-OE1 2.95Å; K531-E565 IonicContact NZ-OE2 3.85Å; K531-E565 PolarHBondContact NZ-OE2 2.89Å
532	V	92.3	Very high	89.2	Confident	12 Å²	12	35 Å²	35	7%	0.073	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.4	-177	172.2	0	0	0	0	109.4	L526 H529 A535 I553 I566	L526-V532 WeakPolarHBondContact O-CB 3.37Å; L526-V532 WeakPolarHBondContact O-CG1 3.44Å; H529-V532 HydrophobicContact CB-CB 4.13Å; H529-V532 HydrophobicContact CB-CG2 3.71Å; H529-V532 PolarHBondContact O-N 3Å; V532-A535 HydrophobicContact CG1-CB 3.87Å; V532-I553 HydrophobicContact CG1-CG2 4.32Å; V532-I553 HydrophobicContact CG2-CG2 3.88Å; V532-I566 HydrophobicContact CG2-CD1 3.98Å
533	K	87.8	Confident	88.6	Confident	59 Å²	59	41.9 Å²	41.9	26%	0.257	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-41.7	173.7	-176.3	167.3	178.2	172.6	0	110.7	K554 L555 V556 D557	K533-K554 WeakPolarHBondContact CB-O 3.41Å; K533-K554 PolarHBondContact N-O 3.25Å; K533-L555 VanDerWaalsContact CB-C 3.46Å; K533-L555 VanDerWaalsContact CB-O 3.28Å; K533-L555 WeakPolarHBondContact CB-O 3.37Å; K533-L555 WeakPolarHBondContact CD-O 3.41Å; K533-V556 HydrophobicContact CB-CG2 4.01Å; K533-D557 IonicContact NZ-OD1 3.96Å; K533-D557 PolarHBondContact NZ-OD1 2.99Å; K533-D557 IonicContact NZ-OD2 2.82Å; K533-D557 PolarHBondContact NZ-OD2 2.71Å
534	E	90.5	Very high	88.1	Confident	43 Å²	43	50.6 Å²	50.6	20%	0.201	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	138	179	-176.6	176.7	-156.4	0	0	109.9	H527 K554 F589 I597	H527-E534 WeakPolarHBondContact NE2-CA 3.16Å; E534-K554 HydrophobicContact CB-CB 4.34Å; E534-K554 PolarHBondContact N-O 3.16Å; E534-K554 VanDerWaalsContact N-O 3.16Å; E534-K554 PolarHBondContact O-N 2.81Å; E534-F589 HydrophobicContact CB-CE2 3.85Å; E534-F589 HydrophobicContact CG-CD2 4.06Å; E534-F589 HydrophobicContact CG-CE2 3.55Å; E534-F589 HydrophobicContact CG-CZ 4.37Å; E534-F589 VanDerWaalsContact OE2-CD2 3.28Å; E534-F589 WeakPolarHBondContact OE2-CD2 3.38Å; E534-F589 WeakPolarHBondContact OE2-CE2 3.43Å; E534-I597 WeakPolarHBondContact OE1-CD1 3.42Å
535	A	91.9	Very high	87.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.6	-180	0	0	0	0	0	111.5	L526 H527 V532 I553	L526-A535 HydrophobicContact CB-CB 3.63Å; L526-A535 HydrophobicContact CD1-CB 4.08Å; H527-A535 PolarHBondContact CE1-O 3.26Å; H527-A535 VanDerWaalsContact CE1-O 3.23Å; H527-A535 PolarHBondContact NE2-N 3.06Å; V532-A535 HydrophobicContact CG1-CB 3.87Å; A535-I553 HydrophobicContact CB-CG1 4.19Å
536	Q	92.8	Very high	87.5	Confident	18 Å²	18	47.8 Å²	47.8	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.1	177.5	-69.1	-66.7	-72.9	0	0	109.8	C552 F589 I597 L602	Q536-C552 PolarHBondContact N-O 3.36Å; Q536-C552 PolarHBondContact O-N 3.3Å; Q536-F589 HydrophobicContact CB-CD1 4.28Å; Q536-F589 HydrophobicContact CB-CE1 3.74Å; Q536-F589 HydrophobicContact CB-CZ 4.28Å; Q536-F589 HydrophobicContact CG-CD1 3.97Å; Q536-F589 HydrophobicContact CG-CE1 3.69Å; Q536-F589 HydrophobicContact CG-CZ 4.02Å; Q536-I597 HydrophobicContact CG-CD1 3.58Å; Q536-I597 HydrophobicContact CG-CG1 4.42Å; Q536-I597 HydrophobicContact CG-CG2 4.06Å; Q536-L602 HydrophobicContact CB-CD2 3.56Å; Q536-L602 HydrophobicContact CG-CD2 4.32Å
537	V	93	Very high	87.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	-174.9	173.8	0	0	0	0	109.4	I510 P519 I522 E523 L526 V549 C550 A551	I510-V537 HydrophobicContact CD1-CG1 3.95Å; P519-V537 HydrophobicContact CB-CB 3.86Å; P519-V537 HydrophobicContact CB-CG1 3.96Å; P519-V537 WeakPolarHBondContact CB-O 3.33Å; I522-V537 HydrophobicContact CB-CG1 4.45Å; I522-V537 HydrophobicContact CB-CG2 4.05Å; I522-V537 HydrophobicContact CD1-CG1 4.19Å; I522-V537 HydrophobicContact CG2-CG2 3.8Å; E523-V537 HydrophobicContact CG-CB 3.91Å; E523-V537 HydrophobicContact CG-CG2 3.81Å; E523-V537 PolarHBondContact OE1-N 2.8Å; L526-V537 HydrophobicContact CD1-CG2 4.04Å; V537-V549 HydrophobicContact CG1-CG1 3.72Å; V537-C550 VanDerWaalsContact CA-O 3.31Å; V537-C550 WeakPolarHBondContact CA-O 3.47Å; V537-A551 HydrophobicContact CG2-CB 4.07Å
538	V	93.7	Very high	87.5	Confident	4 Å²	4	47 Å²	47	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.7	-179	-64.3	0	0	0	0	110.2	I510 V540 C550 K599 L602 R603 A606	I510-V538 VanDerWaalsContact CD1-C 3.47Å; V538-V540 HydrophobicContact CG2-CG1 4.24Å; V538-C550 HydrophobicContact CG2-CB 4.06Å; V538-C550 PolarHBondContact N-O 3.22Å; V538-C550 PolarHBondContact O-N 2.85Å; V538-K599 HydrophobicContact CG1-CB 4.31Å; V538-L602 HydrophobicContact CG1-CD2 4.13Å; V538-L602 HydrophobicContact CG1-CG 4.34Å; V538-R603 HydrophobicContact CB-CB 4.19Å; V538-R603 HydrophobicContact CB-CG 4.45Å; V538-R603 HydrophobicContact CG1-CB 4.37Å; V538-R603 HydrophobicContact CG2-CB 4.38Å; V538-A606 HydrophobicContact CG2-CB 4.38Å
539	G	91.1	Very high	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122	168.5	0	0	0	0	0	109.6	R603	G539-R603 WeakPolarHBondContact O-CD 3.29Å; G539-R603 VanDerWaalsContact O-CG 3.24Å; G539-R603 WeakPolarHBondContact O-CG 3.28Å; G539-R603 VanDerWaalsContact O-CZ 3.23Å; G539-R603 PolarHBondContact O-NE 2.82Å; G539-R603 PolarHBondContact O-NH1 3.01Å
540	V	92.6	Very high	88.3	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.9	172.4	-64.3	0	0	0	0	109.1	V538 D542 E547 E548 C550 Y582 A606 E607 L610	V538-V540 HydrophobicContact CG2-CG1 4.24Å; V540-D542 PolarHBondContact O-N 2.86Å; V540-E547 CarbonylContact O-C 3.5Å; V540-E547 VanDerWaalsContact O-CA 3.27Å; V540-E547 WeakPolarHBondContact O-CA 3.17Å; V540-E548 HydrophobicContact CG2-CB 4.41Å; V540-E548 PolarHBondContact N-O 2.85Å; V540-E548 PolarHBondContact O-N 3.37Å; V540-C550 HydrophobicContact CG1-CB 3.75Å; V540-C550 HydrophobicContact CG2-CB 3.97Å; V540-Y582 HydrophobicContact CG2-CD2 3.73Å; V540-Y582 HydrophobicContact CG2-CE2 4.03Å; V540-A606 HydrophobicContact CG1-CB 3.98Å; V540-E607 HydrophobicContact CB-CG 4.02Å; V540-E607 HydrophobicContact CG1-CG 4.02Å; V540-L610 HydrophobicContact CG1-CD1 4.29Å; V540-L610 HydrophobicContact CG2-CD1 4.07Å
541	K	85.9	Confident	88.6	Confident	152 Å²	152	38.3 Å²	38.3	66%	0.661	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	134.6	-179.2	-68.7	156.7	-167.3	136.8	0	112	G546 E607	K541-G546 WeakPolarHBondContact CA-O 3.31Å; K541-E607 WeakPolarHBondContact CD-OE1 3.46Å; K541-E607 WeakPolarHBondContact CE-OE1 3.48Å; K541-E607 WeakPolarHBondContact CG-OE1 3.45Å; K541-E607 PolarHBondContact N-OE1 3.23Å; K541-E607 IonicContact NZ-OE1 2.74Å; K541-E607 PolarHBondContact NZ-OE1 3.2Å; K541-E607 IonicContact NZ-OE2 2.85Å; K541-E607 PolarHBondContact NZ-OE2 3.36Å
542	D	84	Confident	88.7	Confident	11 Å²	11	36.2 Å²	36.2	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.6	169.7	177.4	-83.5	0	0	0	110	V540 R544 M545 G546 E548 R581	V540-D542 PolarHBondContact O-N 2.86Å; D542-R544 PolarHBondContact O-N 2.8Å; D542-R544 WeakPolarHBondContact OD1-CA 3.3Å; D542-R544 WeakPolarHBondContact OD1-CB 3.42Å; D542-R544 PolarHBondContact OD1-N 3.03Å; D542-M545 HydrophobicContact CB-CB 4.21Å; D542-M545 PolarHBondContact O-N 3.02Å; D542-M545 PolarHBondContact OD1-N 2.75Å; D542-G546 PolarHBondContact N-O 3.1Å; D542-G546 CarbonylContact O-C 3.58Å; D542-G546 WeakPolarHBondContact O-CA 3.27Å; D542-G546 PolarHBondContact O-N 2.95Å; D542-E548 HydrophobicContact CB-CB 4.02Å; D542-E548 HydrophobicContact CB-CG 3.48Å; D542-E548 VanDerWaalsContact CB-CG 3.48Å; D542-R581 IonicContact OD2-CZ 3.98Å; D542-R581 IonicContact OD2-NH1 2.77Å; D542-R581 PolarHBondContact OD2-NH1 3.08Å; D542-R581 IonicContact OD2-NH2 3.17Å; D542-R581 PolarHBondContact OD2-NH2 3.4Å
543	P	75.6	Confident	88.9	Confident	146 Å²	146	35.6 Å²	35.6	95%	0.948	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.4	-175.7	-26.8	35.2	0	0	0	116.1
544	R	76.1	Confident	89.2	Confident	195 Å²	195	35.3 Å²	35.3	74%	0.736	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-39	-177.5	-170.7	-170.9	70.6	145	3	112.5	D542	D542-R544 PolarHBondContact O-N 2.8Å; D542-R544 WeakPolarHBondContact OD1-CA 3.3Å; D542-R544 WeakPolarHBondContact OD1-CB 3.42Å; D542-R544 PolarHBondContact OD1-N 3.03Å
545	M	74.5	Confident	89.4	Confident	32 Å²	32	34.7 Å²	34.7	16%	0.158	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.6	-176	-56.2	-57.8	-60.7	0	0	113.2	R512 G513 D542 E547 E548	R512-M545 HydrophobicContact CG-CB 4.29Å; R512-M545 HydrophobicContact CG-CE 3.81Å; G513-M545 PolarHBondContact N-O 2.89Å; D542-M545 HydrophobicContact CB-CB 4.21Å; D542-M545 PolarHBondContact O-N 3.02Å; D542-M545 PolarHBondContact OD1-N 2.75Å; M545-E547 VanDerWaalsContact CB-O 3.32Å; M545-E547 WeakPolarHBondContact CB-O 3.24Å; M545-E547 PolarHBondContact O-N 2.96Å; M545-E548 HydrophobicContact CB-CG 4.26Å; M545-E548 HydrophobicContact CG-CG 4.23Å
546	G	76.5	Confident	89.3	Confident	48 Å²	48	37.4 Å²	37.4	50%	0.495	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-66.3	-168.5	0	0	0	0	0	110.2	K541 D542	K541-G546 WeakPolarHBondContact CA-O 3.31Å; D542-G546 PolarHBondContact N-O 3.1Å; D542-G546 CarbonylContact O-C 3.58Å; D542-G546 WeakPolarHBondContact O-CA 3.27Å; D542-G546 PolarHBondContact O-N 2.95Å
547	E	86.2	Confident	89	Confident	32 Å²	32	42.1 Å²	42.1	15%	0.15	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.9	168.8	-61.8	-179	119.1	0	0	112.3	I510 I511 R512 V540 M545 R603	I510-E547 WeakPolarHBondContact CA-OE2 3.37Å; I510-E547 HydrophobicContact CG2-CB 3.66Å; I511-E547 PolarHBondContact N-OE2 2.94Å; I511-E547 PolarHBondContact O-N 3.36Å; R512-E547 WeakPolarHBondContact CG-O 3.42Å; V540-E547 CarbonylContact O-C 3.5Å; V540-E547 VanDerWaalsContact O-CA 3.27Å; V540-E547 WeakPolarHBondContact O-CA 3.17Å; M545-E547 VanDerWaalsContact CB-O 3.32Å; M545-E547 WeakPolarHBondContact CB-O 3.24Å; M545-E547 PolarHBondContact O-N 2.96Å; E547-R603 IonicContact OE1-CZ 3.85Å; E547-R603 IonicContact OE1-NH1 2.83Å; E547-R603 PolarHBondContact OE1-NH1 2.81Å; E547-R603 IonicContact OE1-NH2 3.77Å
548	E	92.7	Very high	88.8	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.8	170.2	-86.4	-78.3	-166	0	0	110.9	R512 V540 D542 M545 C550 R581 Y582	R512-E548 IonicContact CZ-OE1 3.84Å; R512-E548 IonicContact CZ-OE2 3.08Å; R512-E548 VanDerWaalsContact NE-CD 3.3Å; R512-E548 IonicContact NE-OE1 3.06Å; R512-E548 IonicContact NE-OE2 3.84Å; R512-E548 PolarHBondContact NE-OE2 2.84Å; R512-E548 IonicContact NH2-OE1 2.93Å; R512-E548 PolarHBondContact NH2-OE1 3.21Å; R512-E548 IonicContact NH2-OE2 3.65Å; R512-E548 PolarHBondContact NH2-OE2 2.95Å; V540-E548 HydrophobicContact CG2-CB 4.41Å; V540-E548 PolarHBondContact N-O 2.85Å; V540-E548 PolarHBondContact O-N 3.37Å; D542-E548 HydrophobicContact CB-CB 4.02Å; D542-E548 HydrophobicContact CB-CG 3.48Å; D542-E548 VanDerWaalsContact CB-CG 3.48Å; M545-E548 HydrophobicContact CB-CG 4.26Å; M545-E548 HydrophobicContact CG-CG 4.23Å; E548-C550 PolarHBondContact O-N 2.93Å; E548-R581 WeakPolarHBondContact OE1-CD 3.28Å; E548-R581 IonicContact OE1-CZ 3.87Å; E548-R581 IonicContact OE1-NE 2.64Å; E548-R581 IonicContact OE1-NH1 2.74Å; E548-R581 PolarHBondContact OE1-NH1 3.41Å; E548-R581 WeakPolarHBondContact OE2-CB 3.49Å; E548-Y582 HydrophobicContact CB-CD2 4.25Å; E548-Y582 HydrophobicContact CB-CE2 3.89Å; E548-Y582 HydrophobicContact CG-CE2 4.5Å
549	V	95.4	Very high	88.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.4	-177.7	179.9	0	0	0	0	110.2	I510 I517 I522 V537 P580 R581 Y582	I510-V549 HydrophobicContact CD1-CG2 4.21Å; I517-V549 HydrophobicContact CD1-CG2 3.79Å; I517-V549 HydrophobicContact CG2-CG2 4.27Å; I522-V549 HydrophobicContact CD1-CG1 3.86Å; I522-V549 HydrophobicContact CD1-CG2 4.44Å; V537-V549 HydrophobicContact CG1-CG1 3.72Å; V549-P580 HydrophobicContact CG1-CB 4.05Å; V549-P580 HydrophobicContact CG1-CG 4.05Å; V549-R581 PolarHBondContact O-N 3.41Å; V549-Y582 PolarHBondContact O-N 3.05Å; V549-Y582 VanDerWaalsContact O-N 3.16Å
550	C	96.5	Very high	88.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	170.1	-177.7	0	0	0	0	110.9	V537 V538 V540 E548 Y582	V537-C550 VanDerWaalsContact CA-O 3.31Å; V537-C550 WeakPolarHBondContact CA-O 3.47Å; V538-C550 HydrophobicContact CG2-CB 4.06Å; V538-C550 PolarHBondContact N-O 3.22Å; V538-C550 PolarHBondContact O-N 2.85Å; V540-C550 HydrophobicContact CG1-CB 3.75Å; V540-C550 HydrophobicContact CG2-CB 3.97Å; E548-C550 PolarHBondContact O-N 2.93Å; C550-Y582 CarbonylContact C-O 3.52Å; C550-Y582 WeakPolarHBondContact CA-O 3.33Å
551	A	96.8	Very high	88.9	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.7	173.3	0	0	0	0	0	110.9	L526 V537 I553 P580 Y582 I583 L584	L526-A551 HydrophobicContact CD1-CB 3.73Å; V537-A551 HydrophobicContact CG2-CB 4.07Å; A551-I553 HydrophobicContact CB-CD1 4.36Å; A551-I553 HydrophobicContact CB-CG1 4.42Å; A551-P580 HydrophobicContact CB-CB 3.71Å; A551-P580 HydrophobicContact CB-CG 3.65Å; A551-Y582 PolarHBondContact N-O 3.47Å; A551-I583 HydrophobicContact CB-CG1 4.32Å; A551-I583 CarbonylContact O-C 3.59Å; A551-I583 VanDerWaalsContact O-CA 3.28Å; A551-I583 WeakPolarHBondContact O-CA 3.32Å; A551-L584 PolarHBondContact O-N 2.8Å
552	C	96.4	Very high	89.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.2	171.6	-60.2	0	0	0	0	108.7	Q536 L584 L586 F589 L602	Q536-C552 PolarHBondContact N-O 3.36Å; Q536-C552 PolarHBondContact O-N 3.3Å; C552-L584 CarbonylContact C-O 3.53Å; C552-L584 WeakPolarHBondContact CA-O 3.41Å; C552-L586 HydrophobicContact CB-CD1 3.79Å; C552-L586 HydrophobicContact CB-CG 4.42Å; C552-F589 HydrophobicContact CB-CE1 3.89Å; C552-F589 WeakPolarHBondContact O-CZ 3.27Å; C552-L602 HydrophobicContact CB-CD1 3.91Å; C552-L602 HydrophobicContact CB-CD2 4.08Å; C552-L602 HydrophobicContact CB-CG 4.26Å
553	I	96.1	Very high	89.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.6	-168.4	-69	174.2	0	0	0	110.3	L526 V532 A535 A551 L555 I566 I583 L584 F585 L586	L526-I553 HydrophobicContact CD1-CD1 4.35Å; L526-I553 HydrophobicContact CD2-CD1 4.4Å; V532-I553 HydrophobicContact CG1-CG2 4.32Å; V532-I553 HydrophobicContact CG2-CG2 3.88Å; A535-I553 HydrophobicContact CB-CG1 4.19Å; A551-I553 HydrophobicContact CB-CD1 4.36Å; A551-I553 HydrophobicContact CB-CG1 4.42Å; I553-L555 HydrophobicContact CG2-CD2 3.86Å; I553-L555 HydrophobicContact CG2-CG 4.49Å; I553-I566 HydrophobicContact CD1-CD1 4.08Å; I553-I566 HydrophobicContact CD1-CG1 3.97Å; I553-I566 HydrophobicContact CD1-CG2 3.86Å; I553-I583 HydrophobicContact CD1-CG2 4.11Å; I553-L584 PolarHBondContact N-O 2.65Å; I553-F585 HydrophobicContact CB-CD1 3.97Å; I553-F585 HydrophobicContact CB-CE1 4.1Å; I553-F585 HydrophobicContact CD1-CE1 4.5Å; I553-F585 HydrophobicContact CG2-CD1 3.9Å; I553-F585 HydrophobicContact CG2-CE1 3.89Å; I553-F585 CarbonylContact O-C 3.6Å; I553-F585 VanDerWaalsContact O-CA 3.29Å; I553-F585 WeakPolarHBondContact O-CA 3.2Å; I553-L586 PolarHBondContact O-N 3.03Å
554	K	94.8	Very high	90.9	Very high	52 Å²	52	54.4 Å²	54.4	23%	0.226	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.8	162.3	-177.9	166.6	178.8	161	0	109	K533 E534 L586 T587 F589	K533-K554 WeakPolarHBondContact CB-O 3.41Å; K533-K554 PolarHBondContact N-O 3.25Å; E534-K554 HydrophobicContact CB-CB 4.34Å; E534-K554 PolarHBondContact N-O 3.16Å; E534-K554 VanDerWaalsContact N-O 3.16Å; E534-K554 PolarHBondContact O-N 2.81Å; K554-L586 WeakPolarHBondContact CA-O 3.24Å; K554-T587 VanDerWaalsContact CE-O 3.24Å; K554-T587 WeakPolarHBondContact CE-O 3.47Å; K554-T587 PolarHBondContact NZ-O 3Å; K554-F589 HydrophobicContact CB-CE2 3.74Å; K554-F589 HydrophobicContact CB-CZ 4.27Å
555	L	94.5	Very high	91.9	Very high	31 Å²	31	48.3 Å²	48.3	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	160.7	178.3	-63.1	178.3	0	0	0	111.8	K531 K533 I553 Q559 C561 F585	K531-L555 HydrophobicContact CB-CD2 4.29Å; K531-L555 CarbonylContact O-C 3.5Å; K531-L555 VanDerWaalsContact O-CA 3.29Å; K531-L555 WeakPolarHBondContact O-CA 3.33Å; K531-L555 VanDerWaalsContact O-CD2 3.32Å; K531-L555 WeakPolarHBondContact O-CD2 3.38Å; K533-L555 VanDerWaalsContact CB-C 3.46Å; K533-L555 VanDerWaalsContact CB-O 3.28Å; K533-L555 WeakPolarHBondContact CB-O 3.37Å; K533-L555 WeakPolarHBondContact CD-O 3.41Å; I553-L555 HydrophobicContact CG2-CD2 3.86Å; I553-L555 HydrophobicContact CG2-CG 4.49Å; L555-Q559 WeakPolarHBondContact CD1-O 3.46Å; L555-C561 HydrophobicContact CD1-CB 3.78Å; L555-C561 HydrophobicContact CD2-CB 3.64Å; L555-C561 HydrophobicContact CG-CB 4.39Å; L555-F585 HydrophobicContact CD1-CD1 4.06Å; L555-F585 HydrophobicContact CD1-CE1 4.27Å; L555-F585 HydrophobicContact CD2-CD1 4.08Å; L555-F585 HydrophobicContact CD2-CE1 3.88Å; L555-F585 HydrophobicContact CG-CD1 3.93Å; L555-F585 HydrophobicContact CG-CE1 4.21Å
556	V	90.4	Very high	92.9	Very high	56 Å²	56	46.8 Å²	46.8	34%	0.339	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-63.6	139.2	165.9	175.6	0	0	0	0	108.4	K531 K533 G558 Q559	K531-V556 PolarHBondContact O-N 2.82Å; K533-V556 HydrophobicContact CB-CG2 4.01Å; V556-G558 PolarHBondContact O-N 3.44Å; V556-Q559 HydrophobicContact CB-CB 4.4Å; V556-Q559 HydrophobicContact CB-CG 3.86Å; V556-Q559 HydrophobicContact CG1-CG 4.17Å; V556-Q559 WeakPolarHBondContact O-CB 3.36Å; V556-Q559 PolarHBondContact O-N 3.32Å
557	D	87.2	Confident	93.9	Very high	118 Å²	118	47.7 Å²	47.7	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	129.6	-170.6	-43.7	-52.3	0	0	0	110.1	K533 Q559	K533-D557 IonicContact NZ-OD1 3.96Å; K533-D557 PolarHBondContact NZ-OD1 2.99Å; K533-D557 IonicContact NZ-OD2 2.82Å; K533-D557 PolarHBondContact NZ-OD2 2.71Å; D557-Q559 VanDerWaalsContact C-N 3.34Å
558	G	88.6	Confident	94.3	Very high	84 Å²	84	48.1 Å²	48.1	87%	0.866	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	4.1	-174.1	0	0	0	0	0	115.9	V556	V556-G558 PolarHBondContact O-N 3.44Å
559	Q	91.8	Very high	94.4	Very high	92 Å²	92	51.4 Å²	51.4	43%	0.43	29%	0.286	S	S	.	.			trans	-94.5	142.6	170	-64.9	-64.7	-47.5	0	0	111.9	K531 L555 V556 D557	K531-Q559 HydrophobicContact CB-CB 4.22Å; K531-Q559 HydrophobicContact CG-CB 4.37Å; K531-Q559 HydrophobicContact CG-CG 4.49Å; L555-Q559 WeakPolarHBondContact CD1-O 3.46Å; V556-Q559 HydrophobicContact CB-CB 4.4Å; V556-Q559 HydrophobicContact CB-CG 3.86Å; V556-Q559 HydrophobicContact CG1-CG 4.17Å; V556-Q559 WeakPolarHBondContact O-CB 3.36Å; V556-Q559 PolarHBondContact O-N 3.32Å; D557-Q559 VanDerWaalsContact C-N 3.34Å
560	E	92.3	Very high	94	Very high	169 Å²	169	51.4 Å²	51.4	79%	0.79	29%	0.286	S	S	*	.			trans	-112.5	140.5	170.2	-65.7	-174.6	169.4	0	0	110.5	K531	K531-E560 VanDerWaalsContact CD-O 3.24Å; K531-E560 WeakPolarHBondContact CD-O 3.36Å; K531-E560 WeakPolarHBondContact CE-O 3.43Å; K531-E560 PolarHBondContact NZ-O 3.04Å
561	C	94.3	Very high	93.7	Very high	16 Å²	16	58.2 Å²	58.2	11%	0.108	32%	0.316	C	S	.	.			trans	-148.1	144.7	-178.3	-165.1	0	0	0	0	110.1	K531 L555 E565 F585	K531-C561 HydrophobicContact CB-CB 4.47Å; K531-C561 HydrophobicContact CD-CB 3.89Å; L555-C561 HydrophobicContact CD1-CB 3.78Å; L555-C561 HydrophobicContact CD2-CB 3.64Å; L555-C561 HydrophobicContact CG-CB 4.39Å; C561-E565 WeakPolarHBondContact CA-OE2 3.49Å; C561-E565 PolarHBondContact SG-OE2 2.66Å; C561-F585 HydrophobicContact CB-CE1 4.24Å; C561-F585 HydrophobicContact CB-CZ 4.24Å; C561-F585 WeakPolarHBondContact O-CE2 3.4Å; C561-F585 WeakPolarHBondContact O-CZ 3.32Å
562	T	96.3	Very high	92.8	Very high	75 Å²	75	62.1 Å²	62.1	46%	0.46	36%	0.355	S	S	.	.			trans	-102.8	160.5	177.6	66.2	0	0	0	0	111.8	E564 E565 I566	T562-E564 PolarHBondContact O-N 3.31Å; T562-E565 PolarHBondContact O-N 3.08Å; T562-E565 WeakPolarHBondContact OG1-CB 3.29Å; T562-E565 PolarHBondContact OG1-N 3.07Å; T562-I566 PolarHBondContact O-N 3.08Å; T562-I566 VanDerWaalsContact O-N 3.17Å
563	A	95.3	Very high	92	Very high	18 Å²	18	68.4 Å²	68.4	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-63	-32.4	173.8	0	0	0	0	0	111.6	R567 I583	A563-R567 VanDerWaalsContact CB-NH2 3.35Å; A563-R567 WeakPolarHBondContact O-CB 3.4Å; A563-R567 WeakPolarHBondContact O-CG 3.45Å; A563-R567 PolarHBondContact O-N 2.88Å; A563-R567 PolarHBondContact O-NE 2.86Å; A563-I583 HydrophobicContact CB-CB 3.94Å; A563-I583 HydrophobicContact CB-CD1 3.97Å; A563-I583 HydrophobicContact CB-CG2 4.27Å; A563-I583 WeakPolarHBondContact O-CD1 3.46Å
564	E	96.4	Very high	91.2	Very high	120 Å²	120	69.9 Å²	69.9	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-64.7	-40.6	173.5	-73.5	53.5	-121.2	0	0	112	T562 R567 G568	T562-E564 PolarHBondContact O-N 3.31Å; E564-R567 IonicContact OE1-CZ 3.99Å; E564-R567 IonicContact OE1-NE 2.8Å; E564-R567 IonicContact OE1-NH2 3.54Å; E564-R567 PolarHBondContact OE1-NH2 2.85Å; E564-G568 WeakPolarHBondContact O-CA 3.28Å; E564-G568 PolarHBondContact O-N 2.82Å
565	E	96.5	Very high	90.2	Very high	68 Å²	68	69.4 Å²	69.4	32%	0.318	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-50.1	177.2	-174	-178.6	175.8	0	0	110.7	H529 K531 C561 T562 G568 Y569	H529-E565 IonicContact CE1-OE1 2.72Å; K531-E565 WeakPolarHBondContact CE-OE1 3.38Å; K531-E565 IonicContact NZ-OE1 2.67Å; K531-E565 PolarHBondContact NZ-OE1 2.95Å; K531-E565 IonicContact NZ-OE2 3.85Å; K531-E565 PolarHBondContact NZ-OE2 2.89Å; C561-E565 WeakPolarHBondContact CA-OE2 3.49Å; C561-E565 PolarHBondContact SG-OE2 2.66Å; T562-E565 PolarHBondContact O-N 3.08Å; T562-E565 WeakPolarHBondContact OG1-CB 3.29Å; T562-E565 PolarHBondContact OG1-N 3.07Å; E565-G568 WeakPolarHBondContact O-CA 3.24Å; E565-G568 PolarHBondContact O-N 3.06Å; E565-G568 VanDerWaalsContact O-N 3.14Å; E565-Y569 PolarHBondContact O-N 2.86Å
566	I	97	Very high	89.9	Confident	0 Å²	0	75 Å²	75	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-61.6	-46	176.1	-63.3	-62.9	0	0	0	111.4	L526 V532 I553 T562 G568 Y569 C570 I583 F585	L526-I566 HydrophobicContact CD2-CG2 3.67Å; V532-I566 HydrophobicContact CG2-CD1 3.98Å; I553-I566 HydrophobicContact CD1-CD1 4.08Å; I553-I566 HydrophobicContact CD1-CG1 3.97Å; I553-I566 HydrophobicContact CD1-CG2 3.86Å; T562-I566 PolarHBondContact O-N 3.08Å; T562-I566 VanDerWaalsContact O-N 3.17Å; I566-G568 VanDerWaalsContact C-N 3.27Å; I566-G568 PolarHBondContact O-N 2.92Å; I566-Y569 PolarHBondContact O-N 3.39Å; I566-C570 PolarHBondContact O-N 2.86Å; I566-C570 VanDerWaalsContact O-N 3.08Å; I566-C570 PolarHBondContact O-SG 3.16Å; I566-I583 HydrophobicContact CB-CD1 3.82Å; I566-I583 HydrophobicContact CG2-CD1 3.69Å; I566-I583 HydrophobicContact CG2-CG1 4.22Å; I566-F585 HydrophobicContact CG1-CE1 4.39Å; I566-F585 HydrophobicContact CG1-CZ 4.21Å
567	R	96.1	Very high	89.4	Confident	66 Å²	66	74 Å²	74	25%	0.249	41%	0.414	C	S	.	.	H	α-helix	trans	-60.5	-37.9	173.8	-80.6	-175.4	-79.1	-107.4	5.8	111.9	A563 E564 C570 K571 I579 R581 I583	A563-R567 VanDerWaalsContact CB-NH2 3.35Å; A563-R567 WeakPolarHBondContact O-CB 3.4Å; A563-R567 WeakPolarHBondContact O-CG 3.45Å; A563-R567 PolarHBondContact O-N 2.88Å; A563-R567 PolarHBondContact O-NE 2.86Å; E564-R567 IonicContact OE1-CZ 3.99Å; E564-R567 IonicContact OE1-NE 2.8Å; E564-R567 IonicContact OE1-NH2 3.54Å; E564-R567 PolarHBondContact OE1-NH2 2.85Å; R567-C570 PolarHBondContact O-N 3.45Å; R567-K571 WeakPolarHBondContact O-CG 3.29Å; R567-K571 PolarHBondContact O-N 3.45Å; R567-I579 HydrophobicContact CG-CG2 4.23Å; R567-R581 PolarHBondContact NH1-O 3.11Å; R567-I583 HydrophobicContact CG-CD1 3.71Å
568	G	95	Very high	89.4	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-46.9	175.9	0	0	0	0	0	111.8	E564 E565 I566 C570 K571	E564-G568 WeakPolarHBondContact O-CA 3.28Å; E564-G568 PolarHBondContact O-N 2.82Å; E565-G568 WeakPolarHBondContact O-CA 3.24Å; E565-G568 PolarHBondContact O-N 3.06Å; E565-G568 VanDerWaalsContact O-N 3.14Å; I566-G568 VanDerWaalsContact C-N 3.27Å; I566-G568 PolarHBondContact O-N 2.92Å; G568-C570 VanDerWaalsContact C-N 3.32Å; G568-C570 PolarHBondContact O-N 2.95Å; G568-K571 PolarHBondContact O-N 2.8Å
569	Y	94.2	Very high	89.7	Confident	73 Å²	73	68.2 Å²	68.2	29%	0.286	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-35.1	176.8	-171.8	-99.9	0	0	0	113.2	F525 T528 H529 E565 I566 Q573	F525-Y569 AromaticContact CE1-CD1 3.58Å; F525-Y569 HydrophobicContact CE1-CD1 3.58Å; F525-Y569 AromaticContact CE1-CE1 3.8Å; F525-Y569 HydrophobicContact CE1-CE1 3.8Å; F525-Y569 HydrophobicContact CE2-CE1 4.11Å; F525-Y569 AromaticContact CZ-CD1 3.54Å; F525-Y569 HydrophobicContact CZ-CD1 3.54Å; F525-Y569 AromaticContact CZ-CE1 3.48Å; F525-Y569 HydrophobicContact CZ-CE1 3.48Å; F525-Y569 VanDerWaalsContact CZ-CE1 3.48Å; T528-Y569 PolarHBondContact O-OH 3.12Å; T528-Y569 VanDerWaalsContact O-OH 3.08Å; T528-Y569 PolarHBondContact OG1-OH 2.9Å; H529-Y569 HydrophobicContact CB-CD1 4.25Å; H529-Y569 HydrophobicContact CB-CE1 4.01Å; H529-Y569 AromaticContact CD2-CD1 3.74Å; H529-Y569 AromaticContact CD2-CD2 3.61Å; H529-Y569 AromaticContact CD2-CG 3.45Å; H529-Y569 VanDerWaalsContact CD2-CG 3.45Å; E565-Y569 PolarHBondContact O-N 2.86Å; I566-Y569 PolarHBondContact O-N 3.39Å; Y569-Q573 WeakPolarHBondContact O-CG 3.45Å
570	C	87.4	Confident	89.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.6	-29.5	175.2	-64.5	0	0	0	0	113.8	F525 I566 R567 G568 G572 Q573 I574 I579	F525-C570 HydrophobicContact CE1-CB 4.25Å; I566-C570 PolarHBondContact O-N 2.86Å; I566-C570 VanDerWaalsContact O-N 3.08Å; I566-C570 PolarHBondContact O-SG 3.16Å; R567-C570 PolarHBondContact O-N 3.45Å; G568-C570 VanDerWaalsContact C-N 3.32Å; G568-C570 PolarHBondContact O-N 2.95Å; C570-G572 PolarHBondContact O-N 3.26Å; C570-Q573 PolarHBondContact O-N 3.04Å; C570-I574 HydrophobicContact CB-CD1 3.94Å; C570-I574 HydrophobicContact CB-CG1 3.95Å; C570-I574 WeakPolarHBondContact O-CG1 3.48Å; C570-I574 PolarHBondContact O-N 2.71Å; C570-I574 VanDerWaalsContact O-N 3.11Å; C570-I579 HydrophobicContact CB-CB 4.37Å; C570-I579 HydrophobicContact CB-CD1 4.47Å; C570-I579 HydrophobicContact CB-CG1 3.98Å; C570-I579 HydrophobicContact CB-CG2 3.89Å
571	K	89.4	Confident	90	Very high	143 Å²	143	60.5 Å²	60.5	62%	0.622	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	129.9	-176.6	-78.2	172.5	-174.7	179.9	0	111.1	R567 G568 Q573 I579	R567-K571 WeakPolarHBondContact O-CG 3.29Å; R567-K571 PolarHBondContact O-N 3.45Å; G568-K571 PolarHBondContact O-N 2.8Å; K571-Q573 PolarHBondContact O-N 3.18Å; K571-I579 HydrophobicContact CG-CD1 3.91Å
572	G	79.6	Confident	90.1	Very high	81 Å²	81	62.4 Å²	62.4	84%	0.835	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-17	-178.5	0	0	0	0	0	114.5	C570	C570-G572 PolarHBondContact O-N 3.26Å
573	Q	79	Confident	90.1	Very high	133 Å²	133	59.7 Å²	59.7	62%	0.621	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-35.8	-179.4	-59.1	-71.8	64.4	0	0	112.7	F525 Y569 C570 K571	F525-Q573 HydrophobicContact CE1-CB 4.48Å; F525-Q573 HydrophobicContact CE2-CB 3.57Å; F525-Q573 HydrophobicContact CE2-CG 4.3Å; F525-Q573 HydrophobicContact CZ-CB 3.43Å; F525-Q573 VanDerWaalsContact CZ-CB 3.43Å; F525-Q573 HydrophobicContact CZ-CG 4.03Å; Y569-Q573 WeakPolarHBondContact O-CG 3.45Å; C570-Q573 PolarHBondContact O-N 3.04Å; K571-Q573 PolarHBondContact O-N 3.18Å
574	I	79.2	Confident	90.2	Very high	31 Å²	31	60 Å²	60	16%	0.159	31%	0.307	C	S	.	.	S	Bend	trans	-124.6	158	174	64	173.3	0	0	0	111.4	F525 C570 K578 I579	F525-I574 HydrophobicContact CB-CG2 4.25Å; F525-I574 HydrophobicContact CD1-CD1 4.2Å; F525-I574 HydrophobicContact CD1-CG2 3.87Å; F525-I574 HydrophobicContact CD2-CG2 3.8Å; F525-I574 HydrophobicContact CE1-CG2 4.21Å; F525-I574 HydrophobicContact CE2-CG2 4.14Å; F525-I574 HydrophobicContact CG-CG2 3.66Å; F525-I574 HydrophobicContact CZ-CG2 4.34Å; C570-I574 HydrophobicContact CB-CD1 3.94Å; C570-I574 HydrophobicContact CB-CG1 3.95Å; C570-I574 WeakPolarHBondContact O-CG1 3.48Å; C570-I574 PolarHBondContact O-N 2.71Å; C570-I574 VanDerWaalsContact O-N 3.11Å; I574-K578 HydrophobicContact CD1-CB 4.05Å; I574-I579 HydrophobicContact CD1-CG1 4.33Å; I574-I579 HydrophobicContact CG1-CG1 4Å
575	A	74.3	Confident	90.1	Very high	42 Å²	42	58.1 Å²	58.1	35%	0.347	30%	0.297	S	S	.	.			trans	-58.3	139.8	179.2	0	0	0	0	0	111.5	F577 K578	A575-F577 HydrophobicContact CB-CD1 4.11Å; A575-F577 HydrophobicContact CB-CE1 3.65Å; A575-F577 HydrophobicContact CB-CE2 4.38Å; A575-F577 HydrophobicContact CB-CZ 3.81Å; A575-F577 PolarHBondContact O-N 3.14Å; A575-K578 HydrophobicContact CB-CD 4.39Å; A575-K578 HydrophobicContact CB-CG 4.33Å; A575-K578 WeakPolarHBondContact O-CA 3.29Å; A575-K578 WeakPolarHBondContact O-CB 3.38Å; A575-K578 PolarHBondContact O-N 3.24Å
576	H	86.8	Confident	89.9	Confident	148 Å²	148	56.6 Å²	56.6	69%	0.685	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34.7	-169.5	71.5	-87.1	0	0	0	114.3	K578 I579	H576-K578 VanDerWaalsContact C-N 3.29Å; H576-K578 PolarHBondContact O-N 2.81Å; H576-I579 PolarHBondContact O-N 3.32Å
577	F	80.3	Confident	89.4	Confident	36 Å²	36	62.7 Å²	62.7	16%	0.158	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-73.7	-17.2	178.8	57.9	-99.7	0	0	0	113.9	E515 I517 A575	E515-F577 HydrophobicContact CB-CD2 4.03Å; E515-F577 HydrophobicContact CB-CE2 4.41Å; E515-F577 HydrophobicContact CB-CG 4.42Å; E515-F577 HydrophobicContact CG-CB 4.12Å; E515-F577 HydrophobicContact CG-CD1 4.24Å; E515-F577 HydrophobicContact CG-CD2 3.94Å; E515-F577 HydrophobicContact CG-CE2 4.37Å; E515-F577 HydrophobicContact CG-CG 3.86Å; I517-F577 HydrophobicContact CD1-CD2 3.95Å; I517-F577 WeakPolarHBondContact CD1-O 3.43Å; I517-F577 HydrophobicContact CG1-CD2 3.91Å; I517-F577 HydrophobicContact CG1-CE2 4.31Å; A575-F577 HydrophobicContact CB-CD1 4.11Å; A575-F577 HydrophobicContact CB-CE1 3.65Å; A575-F577 HydrophobicContact CB-CE2 4.38Å; A575-F577 HydrophobicContact CB-CZ 3.81Å; A575-F577 PolarHBondContact O-N 3.14Å
578	K	88.5	Confident	88.9	Confident	49 Å²	49	63.2 Å²	63.2	21%	0.213	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-88.6	-11.3	175.3	-57.8	-172.9	-175.8	-178.8	0	113.2	I517 E521 I522 I574 A575 H576 P580	I517-K578 HydrophobicContact CG2-CG 4.44Å; E521-K578 IonicContact OE2-NZ 3.9Å; E521-K578 PolarHBondContact OE2-NZ 3.25Å; I522-K578 HydrophobicContact CD1-CB 3.98Å; I522-K578 VanDerWaalsContact CD1-O 3.27Å; I522-K578 WeakPolarHBondContact CD1-O 3.37Å; I522-K578 HydrophobicContact CG1-CB 4.06Å; I574-K578 HydrophobicContact CD1-CB 4.05Å; A575-K578 HydrophobicContact CB-CD 4.39Å; A575-K578 HydrophobicContact CB-CG 4.33Å; A575-K578 WeakPolarHBondContact O-CA 3.29Å; A575-K578 WeakPolarHBondContact O-CB 3.38Å; A575-K578 PolarHBondContact O-N 3.24Å; H576-K578 VanDerWaalsContact C-N 3.29Å; H576-K578 PolarHBondContact O-N 2.81Å; K578-P580 WeakPolarHBondContact O-CD 3.5Å
579	I	94.3	Very high	88.5	Confident	31 Å²	31	62 Å²	62	16%	0.159	33%	0.326	C	S	.	.	S	Bend	trans	-68.2	123.1	179.6	-58.3	179.1	0	0	0	108.2	R567 C570 K571 I574 H576 R581	R567-I579 HydrophobicContact CG-CG2 4.23Å; C570-I579 HydrophobicContact CB-CB 4.37Å; C570-I579 HydrophobicContact CB-CD1 4.47Å; C570-I579 HydrophobicContact CB-CG1 3.98Å; C570-I579 HydrophobicContact CB-CG2 3.89Å; K571-I579 HydrophobicContact CG-CD1 3.91Å; I574-I579 HydrophobicContact CD1-CG1 4.33Å; I574-I579 HydrophobicContact CG1-CG1 4Å; H576-I579 PolarHBondContact O-N 3.32Å; I579-R581 PolarHBondContact O-N 3.43Å
580	P	95.4	Very high	87.7	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	33%	0.325	C	S	.	.			trans	-57.4	123	-179.7	-26.1	35.1	0	0	0	112.4	I522 V549 A551 K578 Y582 I583	I522-P580 HydrophobicContact CG2-CG 4.06Å; V549-P580 HydrophobicContact CG1-CB 4.05Å; V549-P580 HydrophobicContact CG1-CG 4.05Å; A551-P580 HydrophobicContact CB-CB 3.71Å; A551-P580 HydrophobicContact CB-CG 3.65Å; K578-P580 WeakPolarHBondContact O-CD 3.5Å; P580-Y582 WeakPolarHBondContact CB-O 3.37Å; P580-I583 HydrophobicContact CB-CG1 4.03Å
581	R	94.6	Very high	87.2	Confident	98 Å²	98	64.5 Å²	64.5	37%	0.37	35%	0.346	S	S	.	.	S	Bend	trans	-72	-40.2	171.9	178.9	171	168.1	-169.8	-21.6	110.1	D542 E548 V549 R567 I579	D542-R581 IonicContact OD2-CZ 3.98Å; D542-R581 IonicContact OD2-NH1 2.77Å; D542-R581 PolarHBondContact OD2-NH1 3.08Å; D542-R581 IonicContact OD2-NH2 3.17Å; D542-R581 PolarHBondContact OD2-NH2 3.4Å; E548-R581 WeakPolarHBondContact OE1-CD 3.28Å; E548-R581 IonicContact OE1-CZ 3.87Å; E548-R581 IonicContact OE1-NE 2.64Å; E548-R581 IonicContact OE1-NH1 2.74Å; E548-R581 PolarHBondContact OE1-NH1 3.41Å; E548-R581 WeakPolarHBondContact OE2-CB 3.49Å; V549-R581 PolarHBondContact O-N 3.41Å; R567-R581 PolarHBondContact NH1-O 3.11Å; I579-R581 PolarHBondContact O-N 3.43Å
582	Y	96.3	Very high	86	Confident	57 Å²	57	59.4 Å²	59.4	22%	0.224	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.5	177.6	-57.2	-76	0	0	0	110.4	V540 E548 V549 C550 A551 P580 L610	V540-Y582 HydrophobicContact CG2-CD2 3.73Å; V540-Y582 HydrophobicContact CG2-CE2 4.03Å; E548-Y582 HydrophobicContact CB-CD2 4.25Å; E548-Y582 HydrophobicContact CB-CE2 3.89Å; E548-Y582 HydrophobicContact CG-CE2 4.5Å; V549-Y582 PolarHBondContact O-N 3.05Å; V549-Y582 VanDerWaalsContact O-N 3.16Å; C550-Y582 CarbonylContact C-O 3.52Å; C550-Y582 WeakPolarHBondContact CA-O 3.33Å; A551-Y582 PolarHBondContact N-O 3.47Å; P580-Y582 WeakPolarHBondContact CB-O 3.37Å; Y582-L610 HydrophobicContact CD1-CD1 3.84Å; Y582-L610 HydrophobicContact CD1-CD2 3.42Å; Y582-L610 VanDerWaalsContact CD1-CD2 3.42Å; Y582-L610 HydrophobicContact CD1-CG 4.19Å; Y582-L610 HydrophobicContact CD2-CD1 3.99Å; Y582-L610 HydrophobicContact CE1-CD1 4.42Å; Y582-L610 HydrophobicContact CE1-CD2 3.98Å; Y582-L610 HydrophobicContact CG-CD1 3.57Å; Y582-L610 HydrophobicContact CG-CD2 3.99Å; Y582-L610 HydrophobicContact CG-CG 4.41Å
583	I	97.1	Very high	84.7	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.092	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.9	176	-69.1	153.1	0	0	0	107.2	A551 I553 A563 I566 R567 P580 F585	A551-I583 HydrophobicContact CB-CG1 4.32Å; A551-I583 CarbonylContact O-C 3.59Å; A551-I583 VanDerWaalsContact O-CA 3.28Å; A551-I583 WeakPolarHBondContact O-CA 3.32Å; I553-I583 HydrophobicContact CD1-CG2 4.11Å; A563-I583 HydrophobicContact CB-CB 3.94Å; A563-I583 HydrophobicContact CB-CD1 3.97Å; A563-I583 HydrophobicContact CB-CG2 4.27Å; A563-I583 WeakPolarHBondContact O-CD1 3.46Å; I566-I583 HydrophobicContact CB-CD1 3.82Å; I566-I583 HydrophobicContact CG2-CD1 3.69Å; I566-I583 HydrophobicContact CG2-CG1 4.22Å; R567-I583 HydrophobicContact CG-CD1 3.71Å; P580-I583 HydrophobicContact CB-CG1 4.03Å; I583-F585 HydrophobicContact CG2-CE1 4.15Å; I583-F585 HydrophobicContact CG2-CE2 3.95Å; I583-F585 HydrophobicContact CG2-CZ 3.74Å
584	L	96.1	Very high	83.3	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.12	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.1	-179.3	-60.8	178.1	0	0	0	108.6	A551 C552 I553 A606 L610	A551-L584 PolarHBondContact O-N 2.8Å; C552-L584 CarbonylContact C-O 3.53Å; C552-L584 WeakPolarHBondContact CA-O 3.41Å; I553-L584 PolarHBondContact N-O 2.65Å; L584-A606 HydrophobicContact CD1-CB 3.67Å; L584-L610 HydrophobicContact CD2-CD2 4.15Å
585	F	95.4	Very high	82.3	Confident	82 Å²	82	52.2 Å²	52.2	36%	0.36	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.7	177	-64.6	-71.6	0	0	0	110.4	I553 L555 C561 I566 I583	I553-F585 HydrophobicContact CB-CD1 3.97Å; I553-F585 HydrophobicContact CB-CE1 4.1Å; I553-F585 HydrophobicContact CD1-CE1 4.5Å; I553-F585 HydrophobicContact CG2-CD1 3.9Å; I553-F585 HydrophobicContact CG2-CE1 3.89Å; I553-F585 CarbonylContact O-C 3.6Å; I553-F585 VanDerWaalsContact O-CA 3.29Å; I553-F585 WeakPolarHBondContact O-CA 3.2Å; L555-F585 HydrophobicContact CD1-CD1 4.06Å; L555-F585 HydrophobicContact CD1-CE1 4.27Å; L555-F585 HydrophobicContact CD2-CD1 4.08Å; L555-F585 HydrophobicContact CD2-CE1 3.88Å; L555-F585 HydrophobicContact CG-CD1 3.93Å; L555-F585 HydrophobicContact CG-CE1 4.21Å; C561-F585 HydrophobicContact CB-CE1 4.24Å; C561-F585 HydrophobicContact CB-CZ 4.24Å; C561-F585 WeakPolarHBondContact O-CE2 3.4Å; C561-F585 WeakPolarHBondContact O-CZ 3.32Å; I566-F585 HydrophobicContact CG1-CE1 4.39Å; I566-F585 HydrophobicContact CG1-CZ 4.21Å; I583-F585 HydrophobicContact CG2-CE1 4.15Å; I583-F585 HydrophobicContact CG2-CE2 3.95Å; I583-F585 HydrophobicContact CG2-CZ 3.74Å
586	L	92	Very high	81.9	Confident	35 Å²	35	52.9 Å²	52.9	18%	0.183	28%	0.275	C	S	.	.			trans	-120.6	143.7	-173.8	-58.4	-176.2	0	0	0	111.8	C552 I553 K554 F589 L602	C552-L586 HydrophobicContact CB-CD1 3.79Å; C552-L586 HydrophobicContact CB-CG 4.42Å; I553-L586 PolarHBondContact O-N 3.03Å; K554-L586 WeakPolarHBondContact CA-O 3.24Å; L586-F589 HydrophobicContact CD1-CD1 4.06Å; L586-F589 HydrophobicContact CD1-CE1 3.96Å; L586-L602 HydrophobicContact CD1-CD1 3.59Å
587	T	85.7	Confident	81.5	Confident	128 Å²	128	47.5 Å²	47.5	79%	0.785	25%	0.251	S	S	*	.	S	Bend	trans	-80.3	-28.5	173.1	54.1	0	0	0	0	112.3	K554	K554-T587 VanDerWaalsContact CE-O 3.24Å; K554-T587 WeakPolarHBondContact CE-O 3.47Å; K554-T587 PolarHBondContact NZ-O 3Å
588	S	85.9	Confident	81.4	Confident	78 Å²	78	48.5 Å²	48.5	55%	0.545	26%	0.256	S	S	.	.			trans	-151.7	156.8	176.7	59.9	0	0	0	0	111.6
589	F	86.6	Confident	81.2	Confident	16 Å²	16	47.9 Å²	47.9	7%	0.07	25%	0.254	C	S	.	.			trans	-99.3	151.9	171.8	-69.6	-75.6	0	0	0	111	E534 Q536 C552 K554 L586 L591 I597 L602	E534-F589 HydrophobicContact CB-CE2 3.85Å; E534-F589 HydrophobicContact CG-CD2 4.06Å; E534-F589 HydrophobicContact CG-CE2 3.55Å; E534-F589 HydrophobicContact CG-CZ 4.37Å; E534-F589 VanDerWaalsContact OE2-CD2 3.28Å; E534-F589 WeakPolarHBondContact OE2-CD2 3.38Å; E534-F589 WeakPolarHBondContact OE2-CE2 3.43Å; Q536-F589 HydrophobicContact CB-CD1 4.28Å; Q536-F589 HydrophobicContact CB-CE1 3.74Å; Q536-F589 HydrophobicContact CB-CZ 4.28Å; Q536-F589 HydrophobicContact CG-CD1 3.97Å; Q536-F589 HydrophobicContact CG-CE1 3.69Å; Q536-F589 HydrophobicContact CG-CZ 4.02Å; C552-F589 HydrophobicContact CB-CE1 3.89Å; C552-F589 WeakPolarHBondContact O-CZ 3.27Å; K554-F589 HydrophobicContact CB-CE2 3.74Å; K554-F589 HydrophobicContact CB-CZ 4.27Å; L586-F589 HydrophobicContact CD1-CD1 4.06Å; L586-F589 HydrophobicContact CD1-CE1 3.96Å; F589-L591 HydrophobicContact CB-CD2 4.18Å; F589-L591 PolarHBondContact O-N 3.11Å; F589-I597 HydrophobicContact CB-CG1 4.28Å; F589-L602 HydrophobicContact CD1-CD1 4.1Å; F589-L602 HydrophobicContact CD1-CD2 4.14Å; F589-L602 HydrophobicContact CE1-CD1 4.47Å; F589-L602 HydrophobicContact CE1-CD2 4.33Å
590	P	78.8	Confident	80.5	Confident	41 Å²	41	51.6 Å²	51.6	27%	0.266	27%	0.271	S	S	.	.			trans	-70.6	100.1	170.1	29.7	-33.3	0	0	0	109.4	Q598 K601 L602	P590-Q598 HydrophobicContact CB-CB 4.29Å; P590-Q598 HydrophobicContact CG-CB 4.46Å; P590-Q598 WeakPolarHBondContact O-CB 3.27Å; P590-Q598 PolarHBondContact O-N 3.3Å; P590-K601 HydrophobicContact CB-CB 4.34Å; P590-K601 HydrophobicContact CG-CB 4.35Å; P590-L602 HydrophobicContact CG-CB 4.02Å; P590-L602 HydrophobicContact CG-CD1 4.44Å
591	L	75.9	Confident	79.9	Confident	84 Å²	84	56.8 Å²	56.8	44%	0.44	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-92.8	148.3	-180	-60.4	-175.9	0	0	0	112.4	F589 K596 I597 Q598	F589-L591 HydrophobicContact CB-CD2 4.18Å; F589-L591 PolarHBondContact O-N 3.11Å; L591-K596 CarbonylContact C-O 3.55Å; L591-K596 WeakPolarHBondContact CA-O 3.33Å; L591-I597 HydrophobicContact CD2-CB 4.41Å; L591-I597 HydrophobicContact CD2-CD1 4.49Å; L591-I597 HydrophobicContact CD2-CG1 3.44Å; L591-I597 VanDerWaalsContact CD2-CG1 3.44Å; L591-Q598 VanDerWaalsContact C-NE2 3.33Å; L591-Q598 PolarHBondContact O-NE2 3.23Å
592	T	64.9	Low	79.6	Confident	35 Å²	35	52.3 Å²	52.3	22%	0.215	28%	0.276	C	S	.	.			trans	-73.2	165.4	158.3	64.9	0	0	0	0	109.6	T594 G595 K596 Q598	T592-T594 PolarHBondContact O-N 3.18Å; T592-T594 VanDerWaalsContact O-N 3.15Å; T592-T594 PolarHBondContact OG1-N 2.77Å; T592-T594 PolarHBondContact OG1-OG1 2.92Å; T592-G595 PolarHBondContact O-N 2.92Å; T592-K596 HydrophobicContact CG2-CB 4.46Å; T592-K596 PolarHBondContact N-O 2.81Å; T592-K596 WeakPolarHBondContact OG1-CB 3.37Å; T592-K596 PolarHBondContact OG1-N 3.49Å; T592-K596 PolarHBondContact OG1-O 3.03Å; T592-Q598 HydrophobicContact CG2-CG 3.68Å
593	V	52	Low	79.3	Confident	63 Å²	63	52.4 Å²	52.4	38%	0.382	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.8	166.4	-87.4	0	0	0	0	115.4	N155 A157 Y307 G595	N155-V593 VanDerWaalsContact CG-CG2 3.44Å; N155-V593 VanDerWaalsContact ND2-CG2 3.31Å; N155-V593 WeakPolarHBondContact ND2-CG2 3.15Å; N155-V593 WeakPolarHBondContact OD1-CG2 3.33Å; A157-V593 HydrophobicContact CB-CB 4.47Å; A157-V593 HydrophobicContact CB-CG1 3.23Å; A157-V593 HydrophobicContact CB-CG2 4.49Å; Y307-V593 HydrophobicContact CE1-CB 4.48Å; Y307-V593 HydrophobicContact CE1-CG2 4.43Å; Y307-V593 HydrophobicContact CE2-CG2 4.24Å; Y307-V593 VanDerWaalsContact OH-CB 3.23Å; Y307-V593 WeakPolarHBondContact OH-CB 3.46Å; Y307-V593 WeakPolarHBondContact OH-CG2 3.36Å; Y307-V593 PolarHBondContact OH-O 3.26Å; V593-G595 VanDerWaalsContact C-N 3.26Å
594	T	50.1	Low	78.8	Confident	15 Å²	15	56.1 Å²	56.1	9%	0.092	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	2.1	171.3	46	0	0	0	0	112.6	P305 Y307 H308 T592 K596	P305-T594 HydrophobicContact CG-CG2 3.95Å; Y307-T594 HydrophobicContact CE2-CG2 4.16Å; Y307-T594 WeakPolarHBondContact OH-CG2 3.43Å; Y307-T594 PolarHBondContact OH-N 3.32Å; H308-T594 HydrophobicContact CB-CG2 3.96Å; T592-T594 PolarHBondContact O-N 3.18Å; T592-T594 VanDerWaalsContact O-N 3.15Å; T592-T594 PolarHBondContact OG1-N 2.77Å; T592-T594 PolarHBondContact OG1-OG1 2.92Å; T594-K596 PolarHBondContact O-N 3.02Å; T594-K596 WeakPolarHBondContact OG1-CG 3.46Å
595	G	57.9	Low	78.5	Confident	17 Å²	17	59.4 Å²	59.4	18%	0.175	31%	0.308	C	S	.	.	S	Bend	trans	72.9	13.5	-173.4	0	0	0	0	0	114.1	T355 T592 V593	T355-G595 PolarHBondContact OG1-O 3.44Å; T592-G595 PolarHBondContact O-N 2.92Å; V593-G595 VanDerWaalsContact C-N 3.26Å
596	K	65.3	Low	78.3	Confident	55 Å²	55	55.6 Å²	55.6	24%	0.239	29%	0.291	C	S	.	.			trans	-88.6	147.7	175.3	-56.4	-178.1	-166.8	-158.2	0	110.1	G381 L591 T592 T594	G381-K596 WeakPolarHBondContact O-CD 3.32Å; G381-K596 WeakPolarHBondContact O-CE 3.24Å; G381-K596 PolarHBondContact O-NZ 3.3Å; L591-K596 CarbonylContact C-O 3.55Å; L591-K596 WeakPolarHBondContact CA-O 3.33Å; T592-K596 HydrophobicContact CG2-CB 4.46Å; T592-K596 PolarHBondContact N-O 2.81Å; T592-K596 WeakPolarHBondContact OG1-CB 3.37Å; T592-K596 PolarHBondContact OG1-N 3.49Å; T592-K596 PolarHBondContact OG1-O 3.03Å; T594-K596 PolarHBondContact O-N 3.02Å; T594-K596 WeakPolarHBondContact OG1-CG 3.46Å
597	I	78.6	Confident	78.1	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.185	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-82.7	133.2	-175.3	-66.4	149	0	0	0	111.2	E534 Q536 F589 L591 K599 L602	E534-I597 WeakPolarHBondContact OE1-CD1 3.42Å; Q536-I597 HydrophobicContact CG-CD1 3.58Å; Q536-I597 HydrophobicContact CG-CG1 4.42Å; Q536-I597 HydrophobicContact CG-CG2 4.06Å; F589-I597 HydrophobicContact CB-CG1 4.28Å; L591-I597 HydrophobicContact CD2-CB 4.41Å; L591-I597 HydrophobicContact CD2-CD1 4.49Å; L591-I597 HydrophobicContact CD2-CG1 3.44Å; L591-I597 VanDerWaalsContact CD2-CG1 3.44Å; I597-K599 VanDerWaalsContact C-N 3.35Å; I597-K599 HydrophobicContact CG2-CG 4.27Å; I597-K599 PolarHBondContact O-N 2.95Å; I597-K599 VanDerWaalsContact O-N 3.1Å; I597-L602 HydrophobicContact CG2-CD2 4.28Å
598	Q	78.4	Confident	78.3	Confident	56 Å²	56	57.3 Å²	57.3	26%	0.262	29%	0.287	S	S	.	.			trans	-83.5	74	177	-59.9	-175	44.8	0	0	110	P590 L591 T592 Q600 K601 L602	P590-Q598 HydrophobicContact CB-CB 4.29Å; P590-Q598 HydrophobicContact CG-CB 4.46Å; P590-Q598 WeakPolarHBondContact O-CB 3.27Å; P590-Q598 PolarHBondContact O-N 3.3Å; L591-Q598 VanDerWaalsContact C-NE2 3.33Å; L591-Q598 PolarHBondContact O-NE2 3.23Å; T592-Q598 HydrophobicContact CG2-CG 3.68Å; Q598-Q600 PolarHBondContact O-N 3.2Å; Q598-K601 HydrophobicContact CB-CB 4.35Å; Q598-K601 PolarHBondContact O-N 3.41Å; Q598-K601 VanDerWaalsContact OE1-CD 3.28Å; Q598-K601 VanDerWaalsContact OE1-CE 3.22Å; Q598-L602 PolarHBondContact O-N 3.15Å
599	K	83.6	Confident	78.4	Confident	36 Å²	36	58.4 Å²	58.4	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-54.2	-28.9	-176	-71.7	-164.3	-179.8	-170.6	0	114.6	E523 V538 I597 R603	E523-K599 WeakPolarHBondContact OE1-CE 3.38Å; E523-K599 IonicContact OE1-NZ 2.72Å; E523-K599 PolarHBondContact OE1-NZ 3.41Å; E523-K599 IonicContact OE2-NZ 2.74Å; E523-K599 PolarHBondContact OE2-NZ 3.22Å; V538-K599 HydrophobicContact CG1-CB 4.31Å; I597-K599 VanDerWaalsContact C-N 3.35Å; I597-K599 HydrophobicContact CG2-CG 4.27Å; I597-K599 PolarHBondContact O-N 2.95Å; I597-K599 VanDerWaalsContact O-N 3.1Å; K599-R603 WeakPolarHBondContact O-CB 3.32Å; K599-R603 PolarHBondContact O-N 3.26Å
600	Q	79.6	Confident	78.3	Confident	110 Å²	110	60.3 Å²	60.3	51%	0.514	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-53.2	173.2	-175.4	-172.4	-20.9	0	0	111.8	Q598 L602 R603 E604	Q598-Q600 PolarHBondContact O-N 3.2Å; Q600-L602 VanDerWaalsContact C-N 3.26Å; Q600-L602 PolarHBondContact O-N 3.28Å; Q600-R603 WeakPolarHBondContact O-CB 3.34Å; Q600-R603 PolarHBondContact O-N 2.92Å; Q600-R603 VanDerWaalsContact O-N 3.1Å; Q600-E604 WeakPolarHBondContact CG-OE1 3.39Å; Q600-E604 PolarHBondContact NE2-OE1 2.7Å; Q600-E604 WeakPolarHBondContact O-CG 3.33Å; Q600-E604 PolarHBondContact O-N 3.43Å
601	K	82.6	Confident	77.9	Confident	110 Å²	110	65.6 Å²	65.6	48%	0.478	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-35	177.6	-68.3	-172.4	-176.9	157.5	0	112.1	P590 Q598 R603 E604 E605	P590-K601 HydrophobicContact CB-CB 4.34Å; P590-K601 HydrophobicContact CG-CB 4.35Å; Q598-K601 HydrophobicContact CB-CB 4.35Å; Q598-K601 PolarHBondContact O-N 3.41Å; Q598-K601 VanDerWaalsContact OE1-CD 3.28Å; Q598-K601 VanDerWaalsContact OE1-CE 3.22Å; K601-R603 VanDerWaalsContact C-N 3.33Å; K601-E604 PolarHBondContact O-N 3.08Å; K601-E605 WeakPolarHBondContact O-CB 3.18Å; K601-E605 PolarHBondContact O-N 2.87Å
602	L	88.8	Confident	78	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-40.6	173.9	-173.8	63.9	0	0	0	111.7	Q536 V538 C552 L586 F589 P590 I597 Q598 Q600 A606	Q536-L602 HydrophobicContact CB-CD2 3.56Å; Q536-L602 HydrophobicContact CG-CD2 4.32Å; V538-L602 HydrophobicContact CG1-CD2 4.13Å; V538-L602 HydrophobicContact CG1-CG 4.34Å; C552-L602 HydrophobicContact CB-CD1 3.91Å; C552-L602 HydrophobicContact CB-CD2 4.08Å; C552-L602 HydrophobicContact CB-CG 4.26Å; L586-L602 HydrophobicContact CD1-CD1 3.59Å; F589-L602 HydrophobicContact CD1-CD1 4.1Å; F589-L602 HydrophobicContact CD1-CD2 4.14Å; F589-L602 HydrophobicContact CE1-CD1 4.47Å; F589-L602 HydrophobicContact CE1-CD2 4.33Å; P590-L602 HydrophobicContact CG-CB 4.02Å; P590-L602 HydrophobicContact CG-CD1 4.44Å; I597-L602 HydrophobicContact CG2-CD2 4.28Å; Q598-L602 PolarHBondContact O-N 3.15Å; Q600-L602 VanDerWaalsContact C-N 3.26Å; Q600-L602 PolarHBondContact O-N 3.28Å; L602-A606 VanDerWaalsContact O-CB 3.24Å; L602-A606 WeakPolarHBondContact O-CB 3.22Å; L602-A606 PolarHBondContact O-N 3.24Å
603	R	89.1	Confident	78.7	Confident	58 Å²	58	66.2 Å²	66.2	22%	0.219	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-46.6	173.7	-172.7	-165.2	-63.8	-133	3.2	111.8	V538 G539 E547 K599 Q600 K601 E605 A606 E607	V538-R603 HydrophobicContact CB-CB 4.19Å; V538-R603 HydrophobicContact CB-CG 4.45Å; V538-R603 HydrophobicContact CG1-CB 4.37Å; V538-R603 HydrophobicContact CG2-CB 4.38Å; G539-R603 WeakPolarHBondContact O-CD 3.29Å; G539-R603 VanDerWaalsContact O-CG 3.24Å; G539-R603 WeakPolarHBondContact O-CG 3.28Å; G539-R603 VanDerWaalsContact O-CZ 3.23Å; G539-R603 PolarHBondContact O-NE 2.82Å; G539-R603 PolarHBondContact O-NH1 3.01Å; E547-R603 IonicContact OE1-CZ 3.85Å; E547-R603 IonicContact OE1-NH1 2.83Å; E547-R603 PolarHBondContact OE1-NH1 2.81Å; E547-R603 IonicContact OE1-NH2 3.77Å; K599-R603 WeakPolarHBondContact O-CB 3.32Å; K599-R603 PolarHBondContact O-N 3.26Å; Q600-R603 WeakPolarHBondContact O-CB 3.34Å; Q600-R603 PolarHBondContact O-N 2.92Å; Q600-R603 VanDerWaalsContact O-N 3.1Å; K601-R603 VanDerWaalsContact C-N 3.33Å; R603-E605 VanDerWaalsContact C-N 3.32Å; R603-E605 PolarHBondContact O-N 3.38Å; R603-A606 PolarHBondContact O-N 2.85Å; R603-E607 HydrophobicContact CG-CG 4.45Å; R603-E607 WeakPolarHBondContact O-CB 3.37Å; R603-E607 WeakPolarHBondContact O-CG 3.5Å; R603-E607 PolarHBondContact O-N 3.21Å
604	E	87.5	Confident	80.2	Confident	97 Å²	97	66.4 Å²	66.4	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-58.8	-43.7	178.1	-72.1	165.6	-174.5	0	0	111.4	Q600 K601 K608	Q600-E604 WeakPolarHBondContact CG-OE1 3.39Å; Q600-E604 PolarHBondContact NE2-OE1 2.7Å; Q600-E604 WeakPolarHBondContact O-CG 3.33Å; Q600-E604 PolarHBondContact O-N 3.43Å; K601-E604 PolarHBondContact O-N 3.08Å; E604-K608 WeakPolarHBondContact O-CB 3.34Å; E604-K608 PolarHBondContact O-N 3.46Å
605	E	89.3	Confident	81.9	Confident	92 Å²	92	69.4 Å²	69.4	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-67.9	-42.9	175.3	-175.5	58.2	-151.5	0	0	112	K601 R603 K608 Q609	K601-E605 WeakPolarHBondContact O-CB 3.18Å; K601-E605 PolarHBondContact O-N 2.87Å; R603-E605 VanDerWaalsContact C-N 3.32Å; R603-E605 PolarHBondContact O-N 3.38Å; E605-K608 WeakPolarHBondContact O-CB 3.45Å; E605-K608 PolarHBondContact O-N 3.26Å; E605-Q609 WeakPolarHBondContact O-CG 3.43Å; E605-Q609 PolarHBondContact O-N 2.86Å; E605-Q609 PolarHBondContact OE1-NE2 2.81Å
606	A	90.8	Very high	83.4	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-44.5	176.2	0	0	0	0	0	112.3	V538 V540 L584 L602 R603 K608 Q609 L610	V538-A606 HydrophobicContact CG2-CB 4.38Å; V540-A606 HydrophobicContact CG1-CB 3.98Å; L584-A606 HydrophobicContact CD1-CB 3.67Å; L602-A606 VanDerWaalsContact O-CB 3.24Å; L602-A606 WeakPolarHBondContact O-CB 3.22Å; L602-A606 PolarHBondContact O-N 3.24Å; R603-A606 PolarHBondContact O-N 2.85Å; A606-K608 PolarHBondContact O-N 2.74Å; A606-Q609 PolarHBondContact O-N 2.79Å; A606-L610 WeakPolarHBondContact O-CB 3.13Å; A606-L610 WeakPolarHBondContact O-CD1 3.4Å; A606-L610 WeakPolarHBondContact O-CG 3.38Å; A606-L610 PolarHBondContact O-N 3.14Å; A606-L610 VanDerWaalsContact O-N 3.11Å
607	E	89.6	Confident	84.6	Confident	40 Å²	40	73.9 Å²	73.9	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-36.1	174.4	-74.8	-174.9	171.2	0	0	111.6	V540 K541 R603 L610 S611	V540-E607 HydrophobicContact CB-CG 4.02Å; V540-E607 HydrophobicContact CG1-CG 4.02Å; K541-E607 WeakPolarHBondContact CD-OE1 3.46Å; K541-E607 WeakPolarHBondContact CE-OE1 3.48Å; K541-E607 WeakPolarHBondContact CG-OE1 3.45Å; K541-E607 PolarHBondContact N-OE1 3.23Å; K541-E607 IonicContact NZ-OE1 2.74Å; K541-E607 PolarHBondContact NZ-OE1 3.2Å; K541-E607 IonicContact NZ-OE2 2.85Å; K541-E607 PolarHBondContact NZ-OE2 3.36Å; R603-E607 HydrophobicContact CG-CG 4.45Å; R603-E607 WeakPolarHBondContact O-CB 3.37Å; R603-E607 WeakPolarHBondContact O-CG 3.5Å; R603-E607 PolarHBondContact O-N 3.21Å; E607-L610 PolarHBondContact O-N 2.78Å; E607-S611 VanDerWaalsContact O-CB 3.27Å; E607-S611 WeakPolarHBondContact O-CB 3.43Å; E607-S611 PolarHBondContact O-N 3.17Å; E607-S611 VanDerWaalsContact O-N 3.08Å; E607-S611 PolarHBondContact O-OG 3.07Å
608	K	89.3	Confident	85.1	Confident	160 Å²	160	76.6 Å²	76.6	70%	0.696	38%	0.375	S	S	*	.	H	α-helix	trans	-73.6	-26.7	179.5	-141.2	178.6	-172.2	-178.9	0	114.6	E604 E605 A606 S611	E604-K608 WeakPolarHBondContact O-CB 3.34Å; E604-K608 PolarHBondContact O-N 3.46Å; E605-K608 WeakPolarHBondContact O-CB 3.45Å; E605-K608 PolarHBondContact O-N 3.26Å; A606-K608 PolarHBondContact O-N 2.74Å; K608-S611 PolarHBondContact O-OG 2.67Å
609	Q	87.9	Confident	85.6	Confident	100 Å²	100	78.2 Å²	78.2	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-86.6	-16.2	174.7	-68.3	-178.4	19.6	0	0	112.8	E605 A606	E605-Q609 WeakPolarHBondContact O-CG 3.43Å; E605-Q609 PolarHBondContact O-N 2.86Å; E605-Q609 PolarHBondContact OE1-NE2 2.81Å; A606-Q609 PolarHBondContact O-N 2.79Å
610	L	84.3	Confident	85.7	Confident	56 Å²	56	81.7 Å²	81.7	29%	0.293	40%	0.402	S	S	.	.	H	α-helix	trans	-106.7	-5.6	-177	-64.5	175	0	0	0	113.8	V540 Y582 L584 A606 E607	V540-L610 HydrophobicContact CG1-CD1 4.29Å; V540-L610 HydrophobicContact CG2-CD1 4.07Å; Y582-L610 HydrophobicContact CD1-CD1 3.84Å; Y582-L610 HydrophobicContact CD1-CD2 3.42Å; Y582-L610 VanDerWaalsContact CD1-CD2 3.42Å; Y582-L610 HydrophobicContact CD1-CG 4.19Å; Y582-L610 HydrophobicContact CD2-CD1 3.99Å; Y582-L610 HydrophobicContact CE1-CD1 4.42Å; Y582-L610 HydrophobicContact CE1-CD2 3.98Å; Y582-L610 HydrophobicContact CG-CD1 3.57Å; Y582-L610 HydrophobicContact CG-CD2 3.99Å; Y582-L610 HydrophobicContact CG-CG 4.41Å; L584-L610 HydrophobicContact CD2-CD2 4.15Å; A606-L610 WeakPolarHBondContact O-CB 3.13Å; A606-L610 WeakPolarHBondContact O-CD1 3.4Å; A606-L610 WeakPolarHBondContact O-CG 3.38Å; A606-L610 PolarHBondContact O-N 3.14Å; A606-L610 VanDerWaalsContact O-N 3.11Å; E607-L610 PolarHBondContact O-N 2.78Å
611	S	70.1	Confident	86.3	Confident	152 Å²	152	79.1 Å²	79.1	100%	1.063	39%	0.392	S	S	*	.			trans	-84.7	0	179	62.5	0	0	0	0	113.8	E607 K608	E607-S611 VanDerWaalsContact O-CB 3.27Å; E607-S611 WeakPolarHBondContact O-CB 3.43Å; E607-S611 PolarHBondContact O-N 3.17Å; E607-S611 VanDerWaalsContact O-N 3.08Å; E607-S611 PolarHBondContact O-OG 3.07Å; K608-S611 PolarHBondContact O-OG 2.67Å

Retrieved 611 of 611 residues in 597 ms (Link to these results)

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