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DNA polymerase lambda

DNA polymerase that functions in several pathways of DNA repair. Involved in base excision repair (BER) responsible for repair of lesions that give rise to abasic (AP) sites in DNA. Also contributes to DNA double-strand break repair by non-homologous end joining and homologous recombination. Has both template-dependent and template-independent (terminal transferase) DNA polymerase activities. Also has a 5'-deoxyribose-5-phosphate lyase (dRP lyase) activity.

AlphaFold DB , UniProt , Accession A0A060YCF7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110493511, Length 561 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	Very low	30.8	Very low	248 Å²	248	153 Å²	153	100%	1.222	84%	0.838	S	S	*	*				0	171.3	0	-72.4	-175.6	177.4	0	0	109.1
2	S	29.3	Very low	30.7	Very low	94 Å²	94	157.6 Å²	157.6	66%	0.657	84%	0.844	S	S	*	*			trans	-44.9	139.1	-173.2	-157.7	0	0	0	0	115.1
3	A	31	Very low	30.8	Very low	93 Å²	93	156.7 Å²	156.7	77%	0.769	85%	0.847	S	S	*	*			trans	-74.1	157.4	152	0	0	0	0	0	109.8
4	Y	32.6	Very low	30.8	Very low	214 Å²	214	159.9 Å²	159.9	84%	0.839	85%	0.849	S	S	*	*			trans	-136.3	124.2	169	-95	-85.9	0	0	0	109.4
5	G	27.6	Very low	30.7	Very low	74 Å²	74	165.8 Å²	165.8	76%	0.763	86%	0.855	S	S	*	*			trans	-93.2	155.3	170.8	0	0	0	0	0	111.5
6	I	32.4	Very low	30.8	Very low	173 Å²	173	161.8 Å²	161.8	89%	0.887	85%	0.854	S	S	*	*			trans	-119.9	124.3	175.1	-63.5	178.3	0	0	0	109.1
7	M	28.9	Very low	30.9	Very low	173 Å²	173	157 Å²	157	85%	0.852	85%	0.852	S	S	*	*			trans	-101.3	144	173.3	-62	176.7	71.9	0	0	111.1
8	K	32.4	Very low	31	Very low	211 Å²	211	153.7 Å²	153.7	92%	0.917	85%	0.85	S	S	*	*			trans	164.3	151.3	145.1	-91.2	156.8	-175.1	-178.8	0	108.9
9	A	30.1	Very low	31	Very low	77 Å²	77	158.7 Å²	158.7	64%	0.636	86%	0.855	S	S	*	*			cis	-166.8	158.3	-18	0	0	0	0	0	110
10	F	28.6	Very low	31.2	Very low	208 Å²	208	160.9 Å²	160.9	91%	0.912	86%	0.859	S	S	*	*			trans	-138.1	154.2	155.1	-85.9	-75.3	0	0	0	109.9
11	P	33.6	Very low	31.2	Very low	118 Å²	118	156.7 Å²	156.7	77%	0.766	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-86.2	155.9	-156	32.6	-36.5	0	0	0	115.4
12	K	29.9	Very low	31.4	Very low	208 Å²	208	154.8 Å²	154.8	90%	0.904	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-89.7	130.1	172.6	-66.8	178.9	177.7	178.1	0	111.1
13	V	32.3	Very low	31.7	Very low	146 Å²	146	157.9 Å²	157.9	89%	0.885	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-81.2	145.3	165.6	-179.5	0	0	0	0	109.8
14	K	30.4	Very low	32.3	Very low	201 Å²	201	159.1 Å²	159.1	87%	0.874	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-71.9	141.2	-174.4	-67.5	177.7	177.3	176.5	0	112.3
15	R	29.8	Very low	32.6	Very low	249 Å²	249	154.2 Å²	154.2	94%	0.94	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-81.4	142.6	158.1	-79.3	-177.3	170.2	175.9	-4	109.9
16	A	32.6	Very low	32.9	Very low	102 Å²	102	156.4 Å²	156.4	84%	0.843	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-75.2	156.9	162	0	0	0	0	0	110.5
17	G	31.4	Very low	33.1	Very low	80 Å²	80	153.7 Å²	153.7	83%	0.825	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77.8	158.8	-170.8	0	0	0	0	0	115
18	A	32.7	Very low	33.4	Very low	97 Å²	97	155.4 Å²	155.4	80%	0.802	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-80.2	161	171	0	0	0	0	0	112
19	R	31.6	Very low	33.2	Very low	250 Å²	250	155.5 Å²	155.5	94%	0.943	83%	0.832	S	S	*	*			trans	-123.6	136.3	152.2	-79.1	-173.6	170.9	-173.5	-2.8	107.8
20	E	34.6	Very low	33.1	Very low	201 Å²	201	161.3 Å²	161.3	94%	0.939	84%	0.843	S	S	*	*			trans	-84.3	138.8	-179.5	-62.7	-179.3	133.2	0	0	110.9
21	G	31.8	Very low	33.7	Very low	74 Å²	74	158.1 Å²	158.1	76%	0.763	84%	0.841	S	S	*	*			trans	-142.6	129.7	165.4	0	0	0	0	0	106.9
22	K	36.7	Very low	34	Very low	207 Å²	207	159.4 Å²	159.4	90%	0.9	84%	0.841	S	S	*	*			trans	-70.6	134.4	-176.7	-63.9	174.1	179.9	175.6	0	109.9
23	D	34.6	Very low	34.4	Very low	159 Å²	159	156.5 Å²	156.5	85%	0.85	83%	0.831	S	S	*	*			trans	-158.4	167.7	130.2	-116.8	-34.8	0	0	0	113.4
24	V	43.1	Very low	35.1	Very low	120 Å²	120	155.6 Å²	155.6	73%	0.727	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-66.1	143.3	-170.6	178.7	0	0	0	0	112.3
25	P	39.2	Very low	36.2	Very low	111 Å²	111	148.6 Å²	148.6	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57	132.5	174.6	23.2	-35.4	0	0	0	111.8
26	P	34.9	Very low	37.4	Very low	120 Å²	120	141.3 Å²	141.3	78%	0.779	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65	138.5	-176.1	26	-34.2	0	0	0	111.1
27	P	35.7	Very low	39	Very low	116 Å²	116	141 Å²	141	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-65.8	152	-179.6	27.8	-34.9	0	0	0	111.3	R29	P27-R29 PolarHBondContact O-N 3.28Å; P27-R29 VanDerWaalsContact O-N 3.1Å
28	K	34.9	Very low	40.7	Very low	208 Å²	208	142.3 Å²	142.3	90%	0.904	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-51.8	118.2	170.8	-65.3	176.5	178.6	177.7	0	108.9	K30	K28-K30 PolarHBondContact O-N 3.37Å
29	R	28.5	Very low	42.5	Very low	214 Å²	214	138.8 Å²	138.8	81%	0.808	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-55.8	124.4	173.9	-81.2	-167.2	178	-168.8	1.8	108.8	P27 E33	P27-R29 PolarHBondContact O-N 3.28Å; P27-R29 VanDerWaalsContact O-N 3.1Å; R29-E33 IonicContact CZ-OE1 3.83Å; R29-E33 IonicContact NH1-OE1 2.67Å; R29-E33 PolarHBondContact NH1-OE1 3.01Å
30	K	28.7	Very low	44.8	Very low	199 Å²	199	130.6 Å²	130.6	87%	0.865	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67.1	149.8	165.8	-70.3	-178.5	175.9	-178.6	0	108.8	K28 D32	K28-K30 PolarHBondContact O-N 3.37Å; K30-D32 PolarHBondContact O-N 2.71Å
31	T	40	Very low	46.9	Very low	140 Å²	140	121.9 Å²	121.9	86%	0.859	68%	0.681	S	S	*	*	S	Bend	trans	-72.3	91.5	167.7	45.4	0	0	0	0	109.8
32	D	39.9	Very low	49.3	Very low	146 Å²	146	118.4 Å²	118.4	78%	0.781	64%	0.644	S	S	*	*			trans	-162.9	86	150.3	-109.4	-26.9	0	0	0	109.1	K30	K30-D32 PolarHBondContact O-N 2.71Å
33	E	38.1	Very low	51.6	Low	146 Å²	146	115.8 Å²	115.8	68%	0.682	64%	0.636	S	S	*	*			trans	-97.2	98.1	160.3	-76.5	-179.7	-178.7	0	0	106.4	R29 V35	R29-E33 IonicContact CZ-OE1 3.83Å; R29-E33 IonicContact NH1-OE1 2.67Å; R29-E33 PolarHBondContact NH1-OE1 3.01Å; E33-V35 PolarHBondContact O-N 2.95Å
34	T	48.4	Very low	53.8	Low	127 Å²	127	111.5 Å²	111.5	78%	0.779	63%	0.628	S	S	*	*			trans	-61.4	106.6	179.7	37.9	0	0	0	0	109.7
35	V	54	Low	56	Low	54 Å²	54	106.3 Å²	106.3	33%	0.327	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-62.8	127.5	179	-170	0	0	0	0	108.1	E33 V37 Q68	E33-V35 PolarHBondContact O-N 2.95Å; V35-V37 PolarHBondContact O-N 2.57Å; V35-Q68 HydrophobicContact CB-CG 4.49Å; V35-Q68 HydrophobicContact CG1-CG 3.48Å; V35-Q68 VanDerWaalsContact CG1-CG 3.48Å
36	P	54.7	Low	58.5	Low	97 Å²	97	101.6 Å²	101.6	63%	0.63	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61	129.3	-179.2	24	-33.6	0	0	0	110.2	T38	P36-T38 PolarHBondContact O-N 2.91Å
37	V	65.8	Low	61.2	Low	96 Å²	96	95.9 Å²	95.9	58%	0.582	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-73.9	116.3	175.8	-178.7	0	0	0	0	108.1	V35 G39	V35-V37 PolarHBondContact O-N 2.57Å; V37-G39 WeakPolarHBondContact CG1-O 3.44Å
38	T	67.7	Low	63.9	Low	107 Å²	107	91.1 Å²	91.1	66%	0.656	50%	0.497	S	S	*	.			trans	-103.5	-11	-176.3	51.6	0	0	0	0	113.4	P36 Q68	P36-T38 PolarHBondContact O-N 2.91Å; T38-Q68 PolarHBondContact N-O 3.29Å; T38-Q68 PolarHBondContact OG1-O 3.18Å
39	G	69.8	Low	66.5	Low	22 Å²	22	81.6 Å²	81.6	23%	0.227	46%	0.456	C	S	.	.			trans	-154.9	169.7	177.4	0	0	0	0	0	112.4	V37 Q68 N69 G70	V37-G39 WeakPolarHBondContact CG1-O 3.44Å; G39-Q68 PolarHBondContact N-O 3.44Å; G39-N69 CarbonylContact O-C 3.57Å; G39-N69 VanDerWaalsContact O-CA 3.28Å; G39-N69 WeakPolarHBondContact O-CA 3.15Å; G39-G70 PolarHBondContact O-N 3.34Å
40	S	79.4	Confident	69.4	Low	79 Å²	79	72 Å²	72	55%	0.552	42%	0.421	S	S	*	.			trans	-116.1	11.8	-177.8	53.8	0	0	0	0	114	F42 Q43 N69	S40-F42 PolarHBondContact O-N 2.89Å; S40-Q43 VanDerWaalsContact O-CB 3.28Å; S40-Q43 WeakPolarHBondContact O-CB 3.46Å; S40-Q43 PolarHBondContact O-N 3.3Å; S40-N69 CarbonylContact C-O 3.55Å; S40-N69 VanDerWaalsContact C-O 3.3Å
41	A	77.9	Confident	72	Confident	18 Å²	18	65.4 Å²	65.4	15%	0.149	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.6	-171.8	0	0	0	0	0	115.4	N69 Q123	A41-N69 HydrophobicContact CB-CB 4.38Å; A41-N69 PolarHBondContact N-O 3.26Å; A41-N69 VanDerWaalsContact N-O 3.15Å; A41-Q123 WeakPolarHBondContact CB-O 3.27Å
42	F	83.8	Confident	74.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	22.2	176.7	-64.5	-89.1	0	0	0	112.5	S40 G44 V45 N69 G71 W115 L116 C119 I120 L125	S40-F42 PolarHBondContact O-N 2.89Å; F42-G44 PolarHBondContact O-N 3.49Å; F42-V45 HydrophobicContact CB-CB 4.17Å; F42-V45 HydrophobicContact CD1-CB 4.41Å; F42-V45 HydrophobicContact CD1-CG1 4.21Å; F42-V45 WeakPolarHBondContact O-CB 3.28Å; F42-V45 PolarHBondContact O-N 3.31Å; F42-N69 HydrophobicContact CD2-CB 3.65Å; F42-N69 HydrophobicContact CE2-CB 4.2Å; F42-N69 PolarHBondContact N-O 3.4Å; F42-G71 WeakPolarHBondContact O-CA 3.33Å; F42-W115 HydrophobicContact CE1-CH2 4.26Å; F42-W115 HydrophobicContact CE1-CZ3 4.31Å; F42-L116 HydrophobicContact CE1-CD1 3.8Å; F42-L116 HydrophobicContact CZ-CD1 3.76Å; F42-C119 HydrophobicContact CE1-CB 3.93Å; F42-C119 HydrophobicContact CE2-CB 4.39Å; F42-C119 HydrophobicContact CZ-CB 3.45Å; F42-C119 VanDerWaalsContact CZ-CB 3.45Å; F42-I120 HydrophobicContact CE2-CG1 3.85Å; F42-I120 HydrophobicContact CZ-CG1 3.9Å; F42-L125 HydrophobicContact CD1-CD1 3.94Å; F42-L125 HydrophobicContact CE1-CD1 4.1Å
43	Q	83.5	Confident	75.7	Confident	153 Å²	153	56.2 Å²	56.2	72%	0.715	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	121.1	179.3	-176	172.7	-1	0	0	111.2	S40 V45	S40-Q43 VanDerWaalsContact O-CB 3.28Å; S40-Q43 WeakPolarHBondContact O-CB 3.46Å; S40-Q43 PolarHBondContact O-N 3.3Å; Q43-V45 VanDerWaalsContact C-N 3.34Å
44	G	82.1	Confident	77.3	Confident	68 Å²	68	49.8 Å²	49.8	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	1.5	-175	0	0	0	0	0	115.1	F42	F42-G44 PolarHBondContact O-N 3.49Å
45	V	89.1	Confident	78.2	Confident	11 Å²	11	45.2 Å²	45.2	7%	0.067	31%	0.31	C	S	.	.			trans	-99.9	118	178.4	177.4	0	0	0	0	110.6	F42 Q43 V47 G71 Q72 L125	F42-V45 HydrophobicContact CB-CB 4.17Å; F42-V45 HydrophobicContact CD1-CB 4.41Å; F42-V45 HydrophobicContact CD1-CG1 4.21Å; F42-V45 WeakPolarHBondContact O-CB 3.28Å; F42-V45 PolarHBondContact O-N 3.31Å; Q43-V45 VanDerWaalsContact C-N 3.34Å; V45-V47 HydrophobicContact CG1-CG2 3.78Å; V45-G71 WeakPolarHBondContact O-CA 3.39Å; V45-Q72 PolarHBondContact O-N 2.87Å; V45-L125 HydrophobicContact CG2-CD1 4.08Å; V45-L125 HydrophobicContact CG2-CD2 4.06Å
46	T	90.8	Very high	79.2	Confident	13 Å²	13	48 Å²	48	8%	0.08	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.7	171.7	-50.7	0	0	0	0	110	Q72 E74 T80 V81 T82 H83	T46-Q72 CarbonylContact C-O 3.49Å; T46-Q72 WeakPolarHBondContact CA-O 2.92Å; T46-Q72 HydrophobicContact CG2-CB 4.08Å; T46-E74 HydrophobicContact CG2-CG 3.62Å; T46-T80 WeakPolarHBondContact CB-O 3.15Å; T46-T80 WeakPolarHBondContact CG2-O 3.3Å; T46-T80 PolarHBondContact OG1-O 3.49Å; T46-T80 VanDerWaalsContact OG1-O 3.12Å; T46-V81 HydrophobicContact CG2-CG2 4.42Å; T46-T82 PolarHBondContact N-OG1 2.84Å; T46-T82 PolarHBondContact O-N 2.94Å; T46-T82 PolarHBondContact O-OG1 2.79Å; T46-H83 PolarHBondContact O-N 2.65Å; T46-H83 VanDerWaalsContact O-N 3.14Å
47	V	91.7	Very high	79.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	-173.4	-169.9	0	0	0	0	112	V45 I49 I66 Q72 T73 E74 H83 V85	V45-V47 HydrophobicContact CG1-CG2 3.78Å; V47-I49 HydrophobicContact CG1-CG1 3.98Å; V47-I66 HydrophobicContact CB-CD1 3.89Å; V47-I66 HydrophobicContact CG1-CD1 4.11Å; V47-I66 HydrophobicContact CG2-CD1 3.93Å; V47-I66 HydrophobicContact CG2-CG1 4.47Å; V47-I66 HydrophobicContact CG2-CG2 4.28Å; V47-Q72 PolarHBondContact N-O 3.11Å; V47-T73 HydrophobicContact CB-CG2 4.47Å; V47-T73 CarbonylContact O-C 3.54Å; V47-T73 WeakPolarHBondContact O-CA 3.4Å; V47-E74 PolarHBondContact O-N 3.3Å; V47-H83 CarbonylContact C-O 3.48Å; V47-H83 VanDerWaalsContact CA-O 3.31Å; V47-H83 WeakPolarHBondContact CA-O 3.43Å; V47-H83 HydrophobicContact CG2-CB 4.45Å; V47-V85 HydrophobicContact CG1-CB 4.22Å; V47-V85 HydrophobicContact CG1-CG2 3.62Å
48	H	93.1	Very high	79.5	Confident	16 Å²	16	46.2 Å²	46.2	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.9	161.7	-179.8	56.3	0	0	0	109.6	E74 S75 V81 H83 V84 V85	H48-E74 PolarHBondContact ND1-O 2.7Å; H48-S75 PolarHBondContact CE1-O 3.2Å; H48-V81 HydrophobicContact CB-CG1 3.87Å; H48-V81 HydrophobicContact CB-CG2 4.07Å; H48-H83 PolarHBondContact N-O 2.89Å; H48-V84 HydrophobicContact CB-CG2 4.45Å; H48-V84 CarbonylContact O-C 3.3Å; H48-V84 WeakPolarHBondContact O-CA 3.33Å; H48-V85 PolarHBondContact O-N 2.97Å
49	I	89.8	Confident	80.1	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.9	179.7	-52.3	-177	0	0	0	109.2	V47 P51 I54 C59 F62 Q63 I66 V85 L116	V47-I49 HydrophobicContact CG1-CG1 3.98Å; I49-P51 VanDerWaalsContact O-CD 3.29Å; I49-P51 WeakPolarHBondContact O-CD 3.44Å; I49-I54 HydrophobicContact CG2-CD1 3.7Å; I49-C59 HydrophobicContact CG2-CB 4.31Å; I49-F62 HydrophobicContact CD1-CB 3.48Å; I49-F62 VanDerWaalsContact CD1-CB 3.48Å; I49-F62 HydrophobicContact CD1-CD2 4.33Å; I49-F62 HydrophobicContact CD1-CG 4.38Å; I49-Q63 HydrophobicContact CD1-CG 4.23Å; I49-I66 HydrophobicContact CD1-CD1 3.97Å; I49-V85 HydrophobicContact CG1-CB 4.46Å; I49-L116 HydrophobicContact CD1-CD2 4.11Å
50	L	88.8	Confident	80.6	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.068	30%	0.295	C	S	.	.			trans	-79.8	115.9	178.7	-169.5	66.2	0	0	0	110	A52 V85 V86 M90 L98 L99	L50-A52 HydrophobicContact CG-CB 4.46Å; L50-A52 PolarHBondContact O-N 3.15Å; L50-A52 VanDerWaalsContact O-N 3.13Å; L50-V85 PolarHBondContact N-O 3.18Å; L50-V86 HydrophobicContact CB-CG1 3.94Å; L50-V86 HydrophobicContact CD2-CG1 3.8Å; L50-M90 HydrophobicContact CD2-CE 4.29Å; L50-L98 HydrophobicContact CD1-CB 4.16Å; L50-L98 HydrophobicContact CD2-CB 3.92Å; L50-L98 HydrophobicContact CD2-CD1 4Å; L50-L99 HydrophobicContact CD1-CD2 4.23Å
51	P	83.1	Confident	80.4	Confident	59 Å²	59	47 Å²	47	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-71.1	-12.7	-170.7	-21.8	35	0	0	0	115.4	I49 G53 G55	I49-P51 VanDerWaalsContact O-CD 3.29Å; I49-P51 WeakPolarHBondContact O-CD 3.44Å; P51-G53 PolarHBondContact O-N 3.1Å; P51-G55 PolarHBondContact O-N 3.27Å
52	A	83.7	Confident	80.6	Confident	34 Å²	34	46.7 Å²	46.7	28%	0.281	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	127.4	178.6	0	0	0	0	0	111.1	L50 I54 M90 L98	L50-A52 HydrophobicContact CG-CB 4.46Å; L50-A52 PolarHBondContact O-N 3.15Å; L50-A52 VanDerWaalsContact O-N 3.13Å; A52-I54 PolarHBondContact O-N 2.95Å; A52-M90 HydrophobicContact CB-CE 3.77Å; A52-M90 VanDerWaalsContact O-CE 3.24Å; A52-M90 WeakPolarHBondContact O-CE 3.19Å; A52-L98 HydrophobicContact CB-CD1 3.8Å
53	G	73.8	Confident	80.8	Confident	59 Å²	59	49.9 Å²	49.9	61%	0.608	30%	0.303	S	S	*	.	H	α-helix	trans	80	-53.7	-172.4	0	0	0	0	0	113	P51 G55	P51-G53 PolarHBondContact O-N 3.1Å; G53-G55 PolarHBondContact O-N 3.07Å
54	I	72.4	Confident	80.8	Confident	11 Å²	11	49 Å²	49	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-42.8	-176.8	-56.9	-177.7	0	0	0	112.2	I49 A52 R58 C59 F62 V85 D87 C113	I49-I54 HydrophobicContact CG2-CD1 3.7Å; A52-I54 PolarHBondContact O-N 2.95Å; I54-R58 HydrophobicContact CG2-CB 3.97Å; I54-R58 HydrophobicContact CG2-CG 3.79Å; I54-R58 WeakPolarHBondContact O-CB 3.32Å; I54-C59 VanDerWaalsContact CG2-SG 3.58Å; I54-F62 HydrophobicContact CG2-CD2 4.26Å; I54-F62 HydrophobicContact CG2-CE2 4.06Å; I54-V85 HydrophobicContact CD1-CG1 4.25Å; I54-D87 HydrophobicContact CG1-CB 3.94Å; I54-C113 HydrophobicContact CD1-CB 3.88Å; I54-C113 HydrophobicContact CG1-CB 4.33Å
55	G	67.7	Low	80.8	Confident	31 Å²	31	48.7 Å²	48.7	32%	0.32	28%	0.277	S	S	.	.			trans	82.7	139.7	180	0	0	0	0	0	114.6	P51 G53 A57 R58 C59	P51-G55 PolarHBondContact O-N 3.27Å; G53-G55 PolarHBondContact O-N 3.07Å; G55-A57 VanDerWaalsContact C-N 3.34Å; G55-A57 PolarHBondContact O-N 2.9Å; G55-A57 VanDerWaalsContact O-N 3.16Å; G55-R58 PolarHBondContact O-N 3.24Å; G55-C59 PolarHBondContact O-N 3.47Å; G55-C59 PolarHBondContact O-SG 3.02Å
56	N	74.8	Confident	80.6	Confident	113 Å²	113	48.1 Å²	48.1	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-53.1	-42.5	-168	-62.2	-2.5	0	0	0	114.5	R58 C59 Q60	N56-R58 PolarHBondContact O-N 3.33Å; N56-C59 WeakPolarHBondContact O-CB 3.13Å; N56-C59 PolarHBondContact O-N 3.02Å; N56-Q60 WeakPolarHBondContact O-CG 3.31Å; N56-Q60 PolarHBondContact O-N 3.25Å
57	A	61.5	Low	80.5	Confident	70 Å²	70	50 Å²	50	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-65.6	-36	-179.6	0	0	0	0	0	112.9	G55 I61	G55-A57 VanDerWaalsContact C-N 3.34Å; G55-A57 PolarHBondContact O-N 2.9Å; G55-A57 VanDerWaalsContact O-N 3.16Å; A57-I61 WeakPolarHBondContact O-CG1 3.43Å; A57-I61 PolarHBondContact O-N 3.46Å
58	R	65.2	Low	80.1	Confident	86 Å²	86	53.1 Å²	53.1	33%	0.325	30%	0.3	S	S	.	.	H	α-helix	trans	-74	-35.6	175.3	-176.9	177	178.7	-154.7	0.8	111	I54 G55 N56 I61 F62 C113	I54-R58 HydrophobicContact CG2-CB 3.97Å; I54-R58 HydrophobicContact CG2-CG 3.79Å; I54-R58 WeakPolarHBondContact O-CB 3.32Å; G55-R58 PolarHBondContact O-N 3.24Å; N56-R58 PolarHBondContact O-N 3.33Å; R58-I61 PolarHBondContact O-N 2.98Å; R58-F62 HydrophobicContact CG-CD2 4.09Å; R58-F62 HydrophobicContact CG-CE2 3.74Å; R58-F62 HydrophobicContact CG-CZ 4.12Å; R58-F62 WeakPolarHBondContact O-CG 3.47Å; R58-F62 PolarHBondContact O-N 2.95Å; R58-C113 PolarHBondContact NH1-SG 3.06Å; R58-C113 VanDerWaalsContact NH1-SG 3.42Å; R58-C113 PolarHBondContact NH2-SG 3.47Å
59	C	80.9	Confident	79.5	Confident	6 Å²	6	52.8 Å²	52.8	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-44.8	172.9	-57.5	0	0	0	0	111.7	I49 I54 G55 N56 I61 F62 Q63	I49-C59 HydrophobicContact CG2-CB 4.31Å; I54-C59 VanDerWaalsContact CG2-SG 3.58Å; G55-C59 PolarHBondContact O-N 3.47Å; G55-C59 PolarHBondContact O-SG 3.02Å; N56-C59 WeakPolarHBondContact O-CB 3.13Å; N56-C59 PolarHBondContact O-N 3.02Å; C59-I61 VanDerWaalsContact C-N 3.33Å; C59-I61 PolarHBondContact O-N 3.4Å; C59-F62 PolarHBondContact O-N 3.31Å; C59-Q63 WeakPolarHBondContact O-CB 3.4Å; C59-Q63 VanDerWaalsContact O-CG 3.29Å; C59-Q63 WeakPolarHBondContact O-CG 3.37Å; C59-Q63 PolarHBondContact O-N 3.29Å
60	Q	78.6	Confident	79.2	Confident	120 Å²	120	53.7 Å²	53.7	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-34.6	176.6	-72.7	174.8	-2	0	0	113.3	N56 K64	N56-Q60 WeakPolarHBondContact O-CG 3.31Å; N56-Q60 PolarHBondContact O-N 3.25Å; Q60-K64 WeakPolarHBondContact O-CG 3.43Å; Q60-K64 PolarHBondContact O-N 2.87Å
61	I	76.1	Confident	79.2	Confident	98 Å²	98	53.3 Å²	53.3	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-49.7	173.8	-69.1	164.9	0	0	0	109.9	A57 R58 C59 Q63 K64 Q65	A57-I61 WeakPolarHBondContact O-CG1 3.43Å; A57-I61 PolarHBondContact O-N 3.46Å; R58-I61 PolarHBondContact O-N 2.98Å; C59-I61 VanDerWaalsContact C-N 3.33Å; C59-I61 PolarHBondContact O-N 3.4Å; I61-Q63 PolarHBondContact O-N 2.8Å; I61-K64 PolarHBondContact O-N 3.48Å; I61-Q65 HydrophobicContact CG2-CG 4.5Å; I61-Q65 WeakPolarHBondContact O-CG 3.43Å; I61-Q65 PolarHBondContact O-N 2.92Å
62	F	82.4	Confident	79.5	Confident	12 Å²	12	56.4 Å²	56.4	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-42.2	177.3	-74.4	-31.3	0	0	0	112.9	I49 I54 R58 C59 K64 Q65 I66 C113 L116 S117 I120	I49-F62 HydrophobicContact CD1-CB 3.48Å; I49-F62 VanDerWaalsContact CD1-CB 3.48Å; I49-F62 HydrophobicContact CD1-CD2 4.33Å; I49-F62 HydrophobicContact CD1-CG 4.38Å; I54-F62 HydrophobicContact CG2-CD2 4.26Å; I54-F62 HydrophobicContact CG2-CE2 4.06Å; R58-F62 HydrophobicContact CG-CD2 4.09Å; R58-F62 HydrophobicContact CG-CE2 3.74Å; R58-F62 HydrophobicContact CG-CZ 4.12Å; R58-F62 WeakPolarHBondContact O-CG 3.47Å; R58-F62 PolarHBondContact O-N 2.95Å; C59-F62 PolarHBondContact O-N 3.31Å; F62-K64 PolarHBondContact O-N 3.13Å; F62-Q65 PolarHBondContact O-N 3.28Å; F62-I66 WeakPolarHBondContact O-CD1 3.27Å; F62-I66 VanDerWaalsContact O-CG1 3.3Å; F62-I66 WeakPolarHBondContact O-CG1 3.42Å; F62-I66 PolarHBondContact O-N 3.41Å; F62-C113 HydrophobicContact CE2-CB 4.19Å; F62-L116 HydrophobicContact CB-CD2 3.89Å; F62-L116 HydrophobicContact CD1-CD2 4.07Å; F62-L116 HydrophobicContact CD1-CG 4.39Å; F62-L116 HydrophobicContact CD2-CD2 3.93Å; F62-L116 HydrophobicContact CE2-CD2 4.4Å; F62-L116 HydrophobicContact CG-CD2 3.74Å; F62-S117 WeakPolarHBondContact CZ-OG 3.24Å; F62-I120 HydrophobicContact CD1-CD1 4.08Å
63	Q	88.1	Confident	79.9	Confident	66 Å²	66	56.7 Å²	56.7	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-47.1	175.8	-76	168.5	-33.9	0	0	111.9	I49 C59 I61 Q65 I66 V67 T73	I49-Q63 HydrophobicContact CD1-CG 4.23Å; C59-Q63 WeakPolarHBondContact O-CB 3.4Å; C59-Q63 VanDerWaalsContact O-CG 3.29Å; C59-Q63 WeakPolarHBondContact O-CG 3.37Å; C59-Q63 PolarHBondContact O-N 3.29Å; I61-Q63 PolarHBondContact O-N 2.8Å; Q63-Q65 PolarHBondContact O-N 3.27Å; Q63-I66 PolarHBondContact O-N 3.04Å; Q63-V67 WeakPolarHBondContact O-CG2 3.21Å; Q63-V67 PolarHBondContact O-N 3.21Å; Q63-T73 HydrophobicContact CB-CG2 4.4Å; Q63-T73 HydrophobicContact CG-CG2 4.15Å
64	K	84.1	Confident	80.6	Confident	135 Å²	135	56.8 Å²	56.8	59%	0.587	30%	0.302	S	S	*	.	H	α-helix	trans	-61.9	-42.2	175.2	-71.3	179.2	-179.8	-171	0	112.1	Q60 I61 F62 V67 Q68	Q60-K64 WeakPolarHBondContact O-CG 3.43Å; Q60-K64 PolarHBondContact O-N 2.87Å; I61-K64 PolarHBondContact O-N 3.48Å; F62-K64 PolarHBondContact O-N 3.13Å; K64-V67 PolarHBondContact O-N 2.95Å; K64-Q68 WeakPolarHBondContact O-CB 3.43Å; K64-Q68 WeakPolarHBondContact O-CG 3.35Å; K64-Q68 PolarHBondContact O-N 2.8Å; K64-Q68 PolarHBondContact O-OE1 3.38Å
65	Q	80.4	Confident	81.2	Confident	61 Å²	61	61.5 Å²	61.5	29%	0.285	34%	0.335	S	S	.	.	H	α-helix	trans	-68.8	-36	-179.7	-71.5	-179.2	-52.3	0	0	113	I61 F62 Q63 N69 I120	I61-Q65 HydrophobicContact CG2-CG 4.5Å; I61-Q65 WeakPolarHBondContact O-CG 3.43Å; I61-Q65 PolarHBondContact O-N 2.92Å; F62-Q65 PolarHBondContact O-N 3.28Å; Q63-Q65 PolarHBondContact O-N 3.27Å; Q65-N69 WeakPolarHBondContact O-CB 3.45Å; Q65-N69 PolarHBondContact O-N 3.38Å; Q65-N69 PolarHBondContact O-ND2 3.05Å; Q65-I120 HydrophobicContact CB-CD1 3.77Å; Q65-I120 HydrophobicContact CB-CG1 4.38Å; Q65-I120 HydrophobicContact CB-CG2 4.4Å
66	I	85.9	Confident	82.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-48.6	174.4	-69.5	158	0	0	0	110.3	V47 I49 F62 Q63 Q68 N69 G70 G71 T73 L116	V47-I66 HydrophobicContact CB-CD1 3.89Å; V47-I66 HydrophobicContact CG1-CD1 4.11Å; V47-I66 HydrophobicContact CG2-CD1 3.93Å; V47-I66 HydrophobicContact CG2-CG1 4.47Å; V47-I66 HydrophobicContact CG2-CG2 4.28Å; I49-I66 HydrophobicContact CD1-CD1 3.97Å; F62-I66 WeakPolarHBondContact O-CD1 3.27Å; F62-I66 VanDerWaalsContact O-CG1 3.3Å; F62-I66 WeakPolarHBondContact O-CG1 3.42Å; F62-I66 PolarHBondContact O-N 3.41Å; Q63-I66 PolarHBondContact O-N 3.04Å; I66-Q68 PolarHBondContact O-N 2.91Å; I66-N69 CarbonylContact O-C 3.59Å; I66-N69 PolarHBondContact O-N 3.26Å; I66-N69 VanDerWaalsContact O-N 3.09Å; I66-G70 PolarHBondContact O-N 3.25Å; I66-G71 PolarHBondContact O-N 3.41Å; I66-T73 HydrophobicContact CB-CG2 3.78Å; I66-T73 HydrophobicContact CD1-CG2 3.59Å; I66-T73 HydrophobicContact CG1-CG2 4.31Å; I66-T73 HydrophobicContact CG2-CG2 3.66Å; I66-L116 HydrophobicContact CD1-CD1 3.94Å; I66-L116 HydrophobicContact CD1-CD2 3.96Å; I66-L116 HydrophobicContact CG1-CD1 3.8Å
67	V	88	Confident	82.6	Confident	53 Å²	53	59.6 Å²	59.6	32%	0.321	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-42.3	178.4	174.4	0	0	0	0	111.7	Q63 K64 N69 G70 G71	Q63-V67 WeakPolarHBondContact O-CG2 3.21Å; Q63-V67 PolarHBondContact O-N 3.21Å; K64-V67 PolarHBondContact O-N 2.95Å; V67-N69 PolarHBondContact O-N 3.26Å; V67-N69 VanDerWaalsContact O-N 3.16Å; V67-G70 PolarHBondContact O-N 3.15Å; V67-G71 WeakPolarHBondContact CA-O 3.44Å
68	Q	83.2	Confident	83.6	Confident	65 Å²	65	57.9 Å²	57.9	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-25.2	174	-78.6	171.3	-33.8	0	0	113.7	V35 T38 G39 K64 I66	V35-Q68 HydrophobicContact CB-CG 4.49Å; V35-Q68 HydrophobicContact CG1-CG 3.48Å; V35-Q68 VanDerWaalsContact CG1-CG 3.48Å; T38-Q68 PolarHBondContact N-O 3.29Å; T38-Q68 PolarHBondContact OG1-O 3.18Å; G39-Q68 PolarHBondContact N-O 3.44Å; K64-Q68 WeakPolarHBondContact O-CB 3.43Å; K64-Q68 WeakPolarHBondContact O-CG 3.35Å; K64-Q68 PolarHBondContact O-N 2.8Å; K64-Q68 PolarHBondContact O-OE1 3.38Å; I66-Q68 PolarHBondContact O-N 2.91Å
69	N	80.9	Confident	84.4	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.043	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	23.1	-178.6	-68.6	-88.8	0	0	0	112.7	G39 S40 A41 F42 Q65 I66 V67 Q123	G39-N69 CarbonylContact O-C 3.57Å; G39-N69 VanDerWaalsContact O-CA 3.28Å; G39-N69 WeakPolarHBondContact O-CA 3.15Å; S40-N69 CarbonylContact C-O 3.55Å; S40-N69 VanDerWaalsContact C-O 3.3Å; A41-N69 HydrophobicContact CB-CB 4.38Å; A41-N69 PolarHBondContact N-O 3.26Å; A41-N69 VanDerWaalsContact N-O 3.15Å; F42-N69 HydrophobicContact CD2-CB 3.65Å; F42-N69 HydrophobicContact CE2-CB 4.2Å; F42-N69 PolarHBondContact N-O 3.4Å; Q65-N69 WeakPolarHBondContact O-CB 3.45Å; Q65-N69 PolarHBondContact O-N 3.38Å; Q65-N69 PolarHBondContact O-ND2 3.05Å; I66-N69 CarbonylContact O-C 3.59Å; I66-N69 PolarHBondContact O-N 3.26Å; I66-N69 VanDerWaalsContact O-N 3.09Å; V67-N69 PolarHBondContact O-N 3.26Å; V67-N69 VanDerWaalsContact O-N 3.16Å; N69-Q123 PolarHBondContact OD1-NE2 3.36Å; N69-Q123 PolarHBondContact OD1-OE1 2.68Å
70	G	83.3	Confident	84.5	Confident	27 Å²	27	63.8 Å²	63.8	28%	0.278	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	5.1	167.6	0	0	0	0	0	116	G39 I66 V67	G39-G70 PolarHBondContact O-N 3.34Å; I66-G70 PolarHBondContact O-N 3.25Å; V67-G70 PolarHBondContact O-N 3.15Å
71	G	88.5	Confident	85	Confident	6 Å²	6	58.3 Å²	58.3	6%	0.062	33%	0.329	C	S	.	.			trans	-93	174.3	175.1	0	0	0	0	0	113.7	F42 V45 I66 V67	F42-G71 WeakPolarHBondContact O-CA 3.33Å; V45-G71 WeakPolarHBondContact O-CA 3.39Å; I66-G71 PolarHBondContact O-N 3.41Å; V67-G71 WeakPolarHBondContact CA-O 3.44Å
72	Q	90.3	Very high	85.6	Confident	123 Å²	123	55.6 Å²	55.6	58%	0.575	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.7	176.9	-63.9	-176.5	0.3	0	0	110.8	V45 T46 V47	V45-Q72 PolarHBondContact O-N 2.87Å; T46-Q72 CarbonylContact C-O 3.49Å; T46-Q72 WeakPolarHBondContact CA-O 2.92Å; T46-Q72 HydrophobicContact CG2-CB 4.08Å; V47-Q72 PolarHBondContact N-O 3.11Å
73	T	91.1	Very high	86	Confident	40 Å²	40	55.7 Å²	55.7	25%	0.245	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.4	175.3	62.3	0	0	0	0	113.6	V47 Q63 I66	V47-T73 HydrophobicContact CB-CG2 4.47Å; V47-T73 CarbonylContact O-C 3.54Å; V47-T73 WeakPolarHBondContact O-CA 3.4Å; Q63-T73 HydrophobicContact CB-CG2 4.4Å; Q63-T73 HydrophobicContact CG-CG2 4.15Å; I66-T73 HydrophobicContact CB-CG2 3.78Å; I66-T73 HydrophobicContact CD1-CG2 3.59Å; I66-T73 HydrophobicContact CG1-CG2 4.31Å; I66-T73 HydrophobicContact CG2-CG2 3.66Å
74	E	89.9	Confident	86.2	Confident	62 Å²	62	52.5 Å²	52.5	29%	0.29	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.3	-176.2	-74.1	-76.3	-163.7	0	0	112.6	T46 V47 H48 S76 C78 T80 V81	T46-E74 HydrophobicContact CG2-CG 3.62Å; V47-E74 PolarHBondContact O-N 3.3Å; H48-E74 PolarHBondContact ND1-O 2.7Å; E74-S76 VanDerWaalsContact C-N 3.32Å; E74-S76 WeakPolarHBondContact CB-O 3.26Å; E74-C78 VanDerWaalsContact CD-SG 3.51Å; E74-T80 PolarHBondContact OE1-OG1 3.49Å; E74-V81 HydrophobicContact CB-CG2 3.68Å; E74-V81 HydrophobicContact CG-CG2 3.86Å
75	S	84.1	Confident	86.4	Confident	109 Å²	109	46.1 Å²	46.1	76%	0.762	28%	0.275	S	S	*	.	S	Bend	trans	-78.9	-15.3	-177.7	67.6	0	0	0	0	114	H48	H48-S75 PolarHBondContact CE1-O 3.2Å
76	S	85.8	Confident	86.9	Confident	63 Å²	63	43.2 Å²	43.2	44%	0.441	26%	0.261	S	S	.	.	S	Bend	trans	-144.5	170.1	176.2	55.1	0	0	0	0	110.1	E74 C78	E74-S76 VanDerWaalsContact C-N 3.32Å; E74-S76 WeakPolarHBondContact CB-O 3.26Å; S76-C78 PolarHBondContact O-N 3.25Å
77	L	85.9	Confident	87.1	Confident	42 Å²	42	44.2 Å²	44.2	22%	0.22	27%	0.267	C	S	.	.			trans	-73.5	121.3	169.1	-177.2	61.5	0	0	0	109.7	V81 V84 V101 V108	L77-V81 HydrophobicContact CD1-CB 4.08Å; L77-V81 HydrophobicContact CD1-CG1 4Å; L77-V84 HydrophobicContact CD1-CG2 3.87Å; L77-V101 HydrophobicContact CD2-CG1 4.14Å; L77-V101 HydrophobicContact CD2-CG2 4.18Å; L77-V108 HydrophobicContact CD1-CG1 4.48Å
78	C	83.3	Confident	86.8	Confident	34 Å²	34	44.6 Å²	44.6	23%	0.23	27%	0.267	C	S	.	.			trans	-146.8	168.1	-179.7	59.8	0	0	0	0	110.4	E74 S76 T80 V81	E74-C78 VanDerWaalsContact CD-SG 3.51Å; S76-C78 PolarHBondContact O-N 3.25Å; C78-T80 PolarHBondContact O-N 2.92Å; C78-T80 PolarHBondContact SG-OG1 3.03Å; C78-V81 WeakPolarHBondContact O-CB 3.37Å; C78-V81 PolarHBondContact O-N 3.2Å
79	P	80.6	Confident	86.6	Confident	144 Å²	144	45.8 Å²	45.8	94%	0.935	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.6	-171.4	-25.1	35.9	0	0	0	116.4
80	T	83.7	Confident	86.9	Confident	72 Å²	72	45.8 Å²	45.8	44%	0.442	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.1	173.8	47	0	0	0	0	113	T46 E74 C78	T46-T80 WeakPolarHBondContact CB-O 3.15Å; T46-T80 WeakPolarHBondContact CG2-O 3.3Å; T46-T80 PolarHBondContact OG1-O 3.49Å; T46-T80 VanDerWaalsContact OG1-O 3.12Å; E74-T80 PolarHBondContact OE1-OG1 3.49Å; C78-T80 PolarHBondContact O-N 2.92Å; C78-T80 PolarHBondContact SG-OG1 3.03Å
81	V	89.5	Confident	87	Confident	5 Å²	5	48 Å²	48	3%	0.03	29%	0.288	C	S	.	.			trans	-74.2	127.1	-177.3	176.9	0	0	0	0	110.8	T46 H48 E74 L77 C78 H83 V84 V108	T46-V81 HydrophobicContact CG2-CG2 4.42Å; H48-V81 HydrophobicContact CB-CG1 3.87Å; H48-V81 HydrophobicContact CB-CG2 4.07Å; E74-V81 HydrophobicContact CB-CG2 3.68Å; E74-V81 HydrophobicContact CG-CG2 3.86Å; L77-V81 HydrophobicContact CD1-CB 4.08Å; L77-V81 HydrophobicContact CD1-CG1 4Å; C78-V81 WeakPolarHBondContact O-CB 3.37Å; C78-V81 PolarHBondContact O-N 3.2Å; V81-H83 WeakPolarHBondContact CG1-O 3.25Å; V81-V84 HydrophobicContact CG1-CG2 4.05Å; V81-V108 HydrophobicContact CG1-CG1 4.3Å; V81-V108 WeakPolarHBondContact O-CG2 3.5Å
82	T	88.8	Confident	86.8	Confident	41 Å²	41	48.9 Å²	48.9	25%	0.252	29%	0.293	S	S	.	.			trans	-102.9	-28.3	177.4	60.8	0	0	0	0	112.4	T46 V108 Y109	T46-T82 PolarHBondContact N-OG1 2.84Å; T46-T82 PolarHBondContact O-N 2.94Å; T46-T82 PolarHBondContact O-OG1 2.79Å; T82-V108 WeakPolarHBondContact O-CA 3.33Å; T82-Y109 PolarHBondContact O-N 2.88Å
83	H	91.4	Very high	86.4	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.06	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.6	-175.2	-65.8	72.4	0	0	0	110	T46 V47 H48 V81 Y109 W115	T46-H83 PolarHBondContact O-N 2.65Å; T46-H83 VanDerWaalsContact O-N 3.14Å; V47-H83 CarbonylContact C-O 3.48Å; V47-H83 VanDerWaalsContact CA-O 3.31Å; V47-H83 WeakPolarHBondContact CA-O 3.43Å; V47-H83 HydrophobicContact CG2-CB 4.45Å; H48-H83 PolarHBondContact N-O 2.89Å; V81-H83 WeakPolarHBondContact CG1-O 3.25Å; H83-Y109 CarbonylContact C-O 3.5Å; H83-Y109 WeakPolarHBondContact CA-O 3.24Å; H83-Y109 AromaticContact NE2-CD2 3.81Å; H83-W115 AromaticContact CD2-CH2 3.38Å; H83-W115 WeakPolarHBondContact CD2-CH2 3.48Å; H83-W115 AromaticContact CD2-CZ2 3.82Å; H83-W115 AromaticContact CD2-CZ3 3.91Å; H83-W115 AromaticContact NE2-CH2 3.62Å; H83-W115 AromaticContact NE2-CZ2 3.76Å
84	V	91.3	Very high	86.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.1	170.9	-179.2	0	0	0	0	108.5	H48 L77 V81 V86 L99 L104 V108 Y109 L110 L111	H48-V84 HydrophobicContact CB-CG2 4.45Å; H48-V84 CarbonylContact O-C 3.3Å; H48-V84 WeakPolarHBondContact O-CA 3.33Å; L77-V84 HydrophobicContact CD1-CG2 3.87Å; V81-V84 HydrophobicContact CG1-CG2 4.05Å; V84-V86 HydrophobicContact CG1-CG1 4.36Å; V84-L99 HydrophobicContact CG1-CD1 3.98Å; V84-L99 HydrophobicContact CG1-CD2 3.97Å; V84-L104 HydrophobicContact CB-CD2 4.36Å; V84-L104 HydrophobicContact CG2-CD2 3.84Å; V84-V108 HydrophobicContact CG2-CG1 3.84Å; V84-Y109 PolarHBondContact N-O 3.12Å; V84-L110 HydrophobicContact CB-CD1 4.02Å; V84-L110 HydrophobicContact CG1-CD1 3.85Å; V84-L111 PolarHBondContact O-N 2.9Å
85	V	89.3	Confident	85.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.7	-177	174.7	0	0	0	0	110.7	V47 H48 I49 L50 I54 L111 C113 L116	V47-V85 HydrophobicContact CG1-CB 4.22Å; V47-V85 HydrophobicContact CG1-CG2 3.62Å; H48-V85 PolarHBondContact O-N 2.97Å; I49-V85 HydrophobicContact CG1-CB 4.46Å; L50-V85 PolarHBondContact N-O 3.18Å; I54-V85 HydrophobicContact CD1-CG1 4.25Å; V85-L111 WeakPolarHBondContact CA-O 3.42Å; V85-C113 HydrophobicContact CG1-CB 3.78Å; V85-L116 HydrophobicContact CG1-CB 4.33Å; V85-L116 HydrophobicContact CG1-CD2 4.12Å; V85-L116 HydrophobicContact CG2-CB 4.38Å; V85-L116 HydrophobicContact CG2-CD2 4.33Å
86	V	90	Very high	86.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	166.7	-179.4	-58.4	0	0	0	0	111.6	L50 V84 M90 A95 L110 L111 K112 C113 L133	L50-V86 HydrophobicContact CB-CG1 3.94Å; L50-V86 HydrophobicContact CD2-CG1 3.8Å; V84-V86 HydrophobicContact CG1-CG1 4.36Å; V86-M90 HydrophobicContact CB-CB 3.89Å; V86-M90 HydrophobicContact CB-CG 4Å; V86-M90 HydrophobicContact CG1-CG 4.48Å; V86-M90 HydrophobicContact CG2-CB 3.77Å; V86-M90 HydrophobicContact CG2-CG 4.15Å; V86-A95 HydrophobicContact CG1-CB 4.15Å; V86-L110 HydrophobicContact CG1-CD1 3.74Å; V86-L110 HydrophobicContact CG2-CD1 4.37Å; V86-L111 PolarHBondContact N-O 2.87Å; V86-K112 CarbonylContact O-C 3.4Å; V86-C113 WeakPolarHBondContact O-CB 3.3Å; V86-C113 PolarHBondContact O-N 3.35Å; V86-L133 HydrophobicContact CG2-CD1 3.55Å
87	D	89.3	Confident	86.1	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.112	27%	0.268	C	S	.	.			trans	-62	151.3	176.9	-172.7	-101	0	0	0	112.3	I54 S89 M90	I54-D87 HydrophobicContact CG1-CB 3.94Å; D87-S89 PolarHBondContact O-N 2.79Å; D87-S89 VanDerWaalsContact O-N 3.1Å; D87-S89 WeakPolarHBondContact OD1-CB 3.29Å; D87-S89 PolarHBondContact OD1-N 3.15Å; D87-S89 PolarHBondContact OD1-OG 3.29Å; D87-M90 VanDerWaalsContact O-CB 3.23Å; D87-M90 WeakPolarHBondContact O-CB 3.19Å; D87-M90 PolarHBondContact O-N 3.46Å
88	D	81.7	Confident	86.1	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.332	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.5	-178.3	-53.9	-45.9	0	0	0	113.3	C113 T114	D88-C113 PolarHBondContact OD1-N 3.03Å; D88-C113 PolarHBondContact OD1-SG 3.3Å; D88-C113 PolarHBondContact OD2-SG 3.01Å; D88-C113 VanDerWaalsContact OD2-SG 3.37Å; D88-T114 WeakPolarHBondContact OD1-CB 3.43Å; D88-T114 WeakPolarHBondContact OD1-CG2 3.14Å; D88-T114 PolarHBondContact OD1-N 2.69Å; D88-T114 PolarHBondContact OD1-OG1 2.9Å
89	S	80.8	Confident	86.3	Confident	90 Å²	90	51.3 Å²	51.3	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	5.6	175.3	70	0	0	0	0	114.8	D87	D87-S89 PolarHBondContact O-N 2.79Å; D87-S89 VanDerWaalsContact O-N 3.1Å; D87-S89 WeakPolarHBondContact OD1-CB 3.29Å; D87-S89 PolarHBondContact OD1-N 3.15Å; D87-S89 PolarHBondContact OD1-OG 3.29Å
90	M	86.7	Confident	86.6	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.034	27%	0.266	C	S	.	.			trans	-79.9	132.8	178	-161.6	71.5	68.7	0	0	111.4	L50 A52 V86 D87 R94 A95 L98 L133	L50-M90 HydrophobicContact CD2-CE 4.29Å; A52-M90 HydrophobicContact CB-CE 3.77Å; A52-M90 VanDerWaalsContact O-CE 3.24Å; A52-M90 WeakPolarHBondContact O-CE 3.19Å; V86-M90 HydrophobicContact CB-CB 3.89Å; V86-M90 HydrophobicContact CB-CG 4Å; V86-M90 HydrophobicContact CG1-CG 4.48Å; V86-M90 HydrophobicContact CG2-CB 3.77Å; V86-M90 HydrophobicContact CG2-CG 4.15Å; D87-M90 VanDerWaalsContact O-CB 3.23Å; D87-M90 WeakPolarHBondContact O-CB 3.19Å; D87-M90 PolarHBondContact O-N 3.46Å; M90-R94 HydrophobicContact SD-CB 4.24Å; M90-R94 HydrophobicContact SD-CG 3.76Å; M90-A95 HydrophobicContact CG-CB 4.04Å; M90-L98 HydrophobicContact CE-CD1 4.17Å; M90-L98 HydrophobicContact SD-CD1 4.1Å; M90-L133 WeakPolarHBondContact O-CD1 3.09Å
91	D	86.1	Confident	86.6	Confident	73 Å²	73	52.2 Å²	52.2	39%	0.39	26%	0.258	S	S	.	.			trans	-88.8	159.8	169	61.7	97.2	0	0	0	112	R94 A95	D91-R94 WeakPolarHBondContact OD1-CB 3.35Å; D91-R94 PolarHBondContact OD1-N 3.2Å; D91-R94 WeakPolarHBondContact OD2-CB 3.31Å; D91-R94 VanDerWaalsContact OD2-CD 3.26Å; D91-R94 WeakPolarHBondContact OD2-CD 3.18Å; D91-A95 WeakPolarHBondContact O-CB 3.41Å; D91-A95 PolarHBondContact O-N 3.3Å
92	C	83.9	Confident	85.9	Confident	25 Å²	25	59.7 Å²	59.7	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-48.7	-175.2	-170.5	0	0	0	0	112.6	R94 A95 L96 L133	C92-R94 VanDerWaalsContact C-N 3.31Å; C92-R94 PolarHBondContact O-N 2.93Å; C92-A95 WeakPolarHBondContact O-CB 3.39Å; C92-A95 PolarHBondContact O-N 2.86Å; C92-A95 VanDerWaalsContact O-N 3.09Å; C92-L96 WeakPolarHBondContact O-CG 3.47Å; C92-L96 PolarHBondContact O-N 2.86Å; C92-L133 HydrophobicContact CB-CB 4.49Å
93	D	80.8	Confident	85.4	Confident	96 Å²	96	66.4 Å²	66.4	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-56.6	-44	-180	-68.8	8.6	0	0	0	112.1	R97	D93-R97 WeakPolarHBondContact O-CB 3.26Å; D93-R97 WeakPolarHBondContact O-CD 3.07Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 3.44Å; D93-R97 IonicContact OD2-NH2 2.72Å
94	R	84.3	Confident	85	Confident	119 Å²	119	67 Å²	67	45%	0.449	32%	0.322	S	S	.	.	H	α-helix	trans	-69.7	-37.2	177.1	-174.2	179	176.4	-159	-1.9	112.3	M90 D91 C92 L98	M90-R94 HydrophobicContact SD-CB 4.24Å; M90-R94 HydrophobicContact SD-CG 3.76Å; D91-R94 WeakPolarHBondContact OD1-CB 3.35Å; D91-R94 PolarHBondContact OD1-N 3.2Å; D91-R94 WeakPolarHBondContact OD2-CB 3.31Å; D91-R94 VanDerWaalsContact OD2-CD 3.26Å; D91-R94 WeakPolarHBondContact OD2-CD 3.18Å; C92-R94 VanDerWaalsContact C-N 3.31Å; C92-R94 PolarHBondContact O-N 2.93Å; R94-L98 HydrophobicContact CG-CD1 4.04Å; R94-L98 WeakPolarHBondContact O-CB 3.35Å; R94-L98 WeakPolarHBondContact O-CD1 3.47Å; R94-L98 WeakPolarHBondContact O-CG 3.3Å; R94-L98 PolarHBondContact O-N 2.68Å
95	A	86.8	Confident	84.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-50.4	172.7	0	0	0	0	0	110.9	V86 M90 D91 C92 R97 L98 L99 L110	V86-A95 HydrophobicContact CG1-CB 4.15Å; M90-A95 HydrophobicContact CG-CB 4.04Å; D91-A95 WeakPolarHBondContact O-CB 3.41Å; D91-A95 PolarHBondContact O-N 3.3Å; C92-A95 WeakPolarHBondContact O-CB 3.39Å; C92-A95 PolarHBondContact O-N 2.86Å; C92-A95 VanDerWaalsContact O-N 3.09Å; A95-R97 PolarHBondContact O-N 2.76Å; A95-L98 PolarHBondContact O-N 2.69Å; A95-L98 VanDerWaalsContact O-N 3.17Å; A95-L99 WeakPolarHBondContact O-CB 3.25Å; A95-L99 WeakPolarHBondContact O-CD1 3.34Å; A95-L99 WeakPolarHBondContact O-CG 3.37Å; A95-L99 PolarHBondContact O-N 2.86Å; A95-L110 HydrophobicContact CB-CD1 4.16Å; A95-L110 HydrophobicContact CB-CD2 3.99Å
96	L	87.8	Confident	83.7	Confident	25 Å²	25	76.6 Å²	76.6	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-56.1	-48.8	176.5	-73.4	171.5	0	0	0	112.2	C92 L98 L99 K100 V101 L104	C92-L96 WeakPolarHBondContact O-CG 3.47Å; C92-L96 PolarHBondContact O-N 2.86Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.33Å; L96-L99 CarbonylContact O-C 3.59Å; L96-L99 PolarHBondContact O-N 3.11Å; L96-K100 PolarHBondContact O-N 2.99Å; L96-V101 WeakPolarHBondContact CB-O 3.36Å; L96-V101 HydrophobicContact CD2-CG2 3.98Å; L96-V101 PolarHBondContact O-N 2.9Å; L96-L104 HydrophobicContact CD2-CD1 3.8Å; L96-L104 HydrophobicContact CD2-CG 4.33Å
97	R	85.8	Confident	83	Confident	183 Å²	183	79.6 Å²	79.6	69%	0.691	42%	0.419	S	S	*	.	H	α-helix	trans	-59.6	-38.2	175.9	-72	168.3	-164.5	166.5	12.2	113.2	D93 A95 K100	D93-R97 WeakPolarHBondContact O-CB 3.26Å; D93-R97 WeakPolarHBondContact O-CD 3.07Å; D93-R97 WeakPolarHBondContact O-CG 3.33Å; D93-R97 PolarHBondContact O-N 3.44Å; D93-R97 IonicContact OD2-NH2 2.72Å; A95-R97 PolarHBondContact O-N 2.76Å; R97-K100 PolarHBondContact O-N 3.27Å
98	L	86.5	Confident	82.9	Confident	80 Å²	80	79.8 Å²	79.8	42%	0.419	42%	0.42	S	S	.	.	H	α-helix	trans	-75.9	-31.6	178.5	-72.1	170.2	0	0	0	112.7	L50 A52 M90 R94 A95 L96 K100	L50-L98 HydrophobicContact CD1-CB 4.16Å; L50-L98 HydrophobicContact CD2-CB 3.92Å; L50-L98 HydrophobicContact CD2-CD1 4Å; A52-L98 HydrophobicContact CB-CD1 3.8Å; M90-L98 HydrophobicContact CE-CD1 4.17Å; M90-L98 HydrophobicContact SD-CD1 4.1Å; R94-L98 HydrophobicContact CG-CD1 4.04Å; R94-L98 WeakPolarHBondContact O-CB 3.35Å; R94-L98 WeakPolarHBondContact O-CD1 3.47Å; R94-L98 WeakPolarHBondContact O-CG 3.3Å; R94-L98 PolarHBondContact O-N 2.68Å; A95-L98 PolarHBondContact O-N 2.69Å; A95-L98 VanDerWaalsContact O-N 3.17Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.33Å; L98-K100 VanDerWaalsContact C-N 3.28Å
99	L	86.4	Confident	83.1	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.115	42%	0.423	C	S	.	.	H	α-helix	trans	-76.6	-14.9	171.8	-66.2	163.7	0	0	0	112.8	L50 V84 A95 L96 V101 L110	L50-L99 HydrophobicContact CD1-CD2 4.23Å; V84-L99 HydrophobicContact CG1-CD1 3.98Å; V84-L99 HydrophobicContact CG1-CD2 3.97Å; A95-L99 WeakPolarHBondContact O-CB 3.25Å; A95-L99 WeakPolarHBondContact O-CD1 3.34Å; A95-L99 WeakPolarHBondContact O-CG 3.37Å; A95-L99 PolarHBondContact O-N 2.86Å; L96-L99 CarbonylContact O-C 3.59Å; L96-L99 PolarHBondContact O-N 3.11Å; L99-V101 HydrophobicContact CB-CG2 3.98Å; L99-L110 HydrophobicContact CD1-CD1 4.48Å
100	K	86.9	Confident	83.5	Confident	190 Å²	190	77.3 Å²	77.3	83%	0.826	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	40.8	-176.4	-52.8	-180	-178.2	178.6	0	113.6	L96 R97 L98	L96-K100 PolarHBondContact O-N 2.99Å; R97-K100 PolarHBondContact O-N 3.27Å; L98-K100 VanDerWaalsContact C-N 3.28Å
101	V	84.4	Confident	83.6	Confident	45 Å²	45	77 Å²	77	27%	0.273	39%	0.392	S	S	.	.			trans	-133	141.5	175.6	-63.2	0	0	0	0	110.5	L77 L96 L99 R103	L77-V101 HydrophobicContact CD2-CG1 4.14Å; L77-V101 HydrophobicContact CD2-CG2 4.18Å; L96-V101 WeakPolarHBondContact CB-O 3.36Å; L96-V101 HydrophobicContact CD2-CG2 3.98Å; L96-V101 PolarHBondContact O-N 2.9Å; L99-V101 HydrophobicContact CB-CG2 3.98Å; V101-R103 WeakPolarHBondContact CB-O 3.38Å; V101-R103 WeakPolarHBondContact CG2-O 3.39Å
102	D	74.5	Confident	83.7	Confident	161 Å²	161	76.7 Å²	76.7	86%	0.861	39%	0.387	S	S	*	.	S	Bend	trans	-77.7	-25.8	-179.7	-55.6	-59.5	0	0	0	112.7
103	R	79.6	Confident	83.8	Confident	183 Å²	183	75.5 Å²	75.5	69%	0.691	38%	0.379	S	S	*	.	S	Bend	trans	-144.6	155.6	168.8	-57.8	-170.5	-168.8	-140.5	6.8	109	V101 D139	V101-R103 WeakPolarHBondContact CB-O 3.38Å; V101-R103 WeakPolarHBondContact CG2-O 3.39Å; R103-D139 IonicContact NH1-OD2 2.76Å; R103-D139 PolarHBondContact NH1-OD2 3.17Å
104	L	81.8	Confident	83.8	Confident	26 Å²	26	73.4 Å²	73.4	14%	0.136	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-73.6	153.9	169.2	-81.7	114.3	0	0	0	111.6	V84 L96 V108 L110 L134	V84-L104 HydrophobicContact CB-CD2 4.36Å; V84-L104 HydrophobicContact CG2-CD2 3.84Å; L96-L104 HydrophobicContact CD2-CD1 3.8Å; L96-L104 HydrophobicContact CD2-CG 4.33Å; L104-V108 HydrophobicContact CD2-CB 4.16Å; L104-V108 HydrophobicContact CD2-CG1 3.74Å; L104-L110 HydrophobicContact CD1-CB 3.87Å; L104-L110 HydrophobicContact CD1-CD1 4.5Å; L104-L110 HydrophobicContact CD1-CD2 3.92Å; L104-L110 HydrophobicContact CD1-CG 4.3Å; L104-L110 HydrophobicContact CD2-CB 4.49Å; L104-L134 HydrophobicContact CD1-CD1 3.48Å; L104-L134 VanDerWaalsContact CD1-CD1 3.48Å
105	P	80.1	Confident	83.9	Confident	70 Å²	70	67.8 Å²	67.8	46%	0.455	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.1	172.3	-17.3	30.6	0	0	0	112.1	G107 V108	P105-G107 PolarHBondContact O-N 2.66Å; P105-V108 HydrophobicContact CB-CG2 3.91Å; P105-V108 HydrophobicContact CG-CG2 4.17Å; P105-V108 WeakPolarHBondContact O-CB 3.09Å; P105-V108 PolarHBondContact O-N 2.76Å; P105-V108 VanDerWaalsContact O-N 3.11Å
106	S	73	Confident	83.6	Confident	131 Å²	131	67.8 Å²	67.8	92%	0.916	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	126.2	177.5	-51.9	0	0	0	0	111.6
107	G	75.6	Confident	83.1	Confident	63 Å²	63	68.5 Å²	68.5	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	3.6	-177.8	0	0	0	0	0	115.5	P105	P105-G107 PolarHBondContact O-N 2.66Å
108	V	86.7	Confident	82.1	Confident	24 Å²	24	61.6 Å²	61.6	15%	0.145	33%	0.334	C	S	.	.			trans	-100.8	118.5	175.6	-172.5	0	0	0	0	111.1	L77 V81 T82 V84 L104 P105	L77-V108 HydrophobicContact CD1-CG1 4.48Å; V81-V108 HydrophobicContact CG1-CG1 4.3Å; V81-V108 WeakPolarHBondContact O-CG2 3.5Å; T82-V108 WeakPolarHBondContact O-CA 3.33Å; V84-V108 HydrophobicContact CG2-CG1 3.84Å; L104-V108 HydrophobicContact CD2-CB 4.16Å; L104-V108 HydrophobicContact CD2-CG1 3.74Å; P105-V108 HydrophobicContact CB-CG2 3.91Å; P105-V108 HydrophobicContact CG-CG2 4.17Å; P105-V108 WeakPolarHBondContact O-CB 3.09Å; P105-V108 PolarHBondContact O-N 2.76Å; P105-V108 VanDerWaalsContact O-N 3.11Å
109	Y	87.4	Confident	81.6	Confident	100 Å²	100	57.8 Å²	57.8	39%	0.392	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.1	-179.4	-62.9	-85.7	0	0	0	112.1	T82 H83 V84 T128	T82-Y109 PolarHBondContact O-N 2.88Å; H83-Y109 CarbonylContact C-O 3.5Å; H83-Y109 WeakPolarHBondContact CA-O 3.24Å; H83-Y109 AromaticContact NE2-CD2 3.81Å; V84-Y109 PolarHBondContact N-O 3.12Å; Y109-T128 HydrophobicContact CD1-CG2 4.17Å; Y109-T128 HydrophobicContact CE1-CG2 4.45Å; Y109-T128 HydrophobicContact CG-CG2 4.32Å
110	L	88.6	Confident	81.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	100	174.1	179.1	66.9	0	0	0	110.2	V84 V86 A95 L99 L104 S132 L133 L134	V84-L110 HydrophobicContact CB-CD1 4.02Å; V84-L110 HydrophobicContact CG1-CD1 3.85Å; V86-L110 HydrophobicContact CG1-CD1 3.74Å; V86-L110 HydrophobicContact CG2-CD1 4.37Å; A95-L110 HydrophobicContact CB-CD1 4.16Å; A95-L110 HydrophobicContact CB-CD2 3.99Å; L99-L110 HydrophobicContact CD1-CD1 4.48Å; L104-L110 HydrophobicContact CD1-CB 3.87Å; L104-L110 HydrophobicContact CD1-CD1 4.5Å; L104-L110 HydrophobicContact CD1-CD2 3.92Å; L104-L110 HydrophobicContact CD1-CG 4.3Å; L104-L110 HydrophobicContact CD2-CB 4.49Å; L110-S132 WeakPolarHBondContact O-CA 3.37Å; L110-L133 HydrophobicContact CD2-CB 3.88Å; L110-L133 HydrophobicContact CD2-CD1 4.18Å; L110-L133 HydrophobicContact CG-CB 4.1Å; L110-L133 HydrophobicContact CG-CD1 4.21Å; L110-L133 PolarHBondContact O-N 3.34Å; L110-L134 HydrophobicContact CB-CD1 4.26Å; L110-L134 HydrophobicContact CD2-CD1 4.15Å
111	L	89	Confident	80.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.7	-167.5	-53.7	-171	0	0	0	113.6	V84 V85 V86 W115 T128 Y131	V84-L111 PolarHBondContact O-N 2.9Å; V85-L111 WeakPolarHBondContact CA-O 3.42Å; V86-L111 PolarHBondContact N-O 2.87Å; L111-W115 HydrophobicContact CB-CB 4.42Å; L111-W115 HydrophobicContact CD1-CB 4.38Å; L111-W115 HydrophobicContact CD1-CD2 3.39Å; L111-W115 HydrophobicContact CD1-CE3 3.68Å; L111-W115 HydrophobicContact CD1-CG 3.73Å; L111-W115 HydrophobicContact CD1-CH2 4.26Å; L111-W115 HydrophobicContact CD1-CZ2 4.01Å; L111-W115 HydrophobicContact CD1-CZ3 4.11Å; L111-T128 HydrophobicContact CD1-CG2 3.82Å; L111-Y131 WeakPolarHBondContact CA-O 3.21Å
112	K	87.8	Confident	80	Confident	66 Å²	66	55.4 Å²	55.4	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	146.8	171.5	-65.6	176.9	-176.2	169.8	0	111.9	V86 T114 W115 Y131 L133	V86-K112 CarbonylContact O-C 3.4Å; K112-T114 WeakPolarHBondContact CB-OG1 3.33Å; K112-T114 PolarHBondContact O-N 3.5Å; K112-T114 VanDerWaalsContact O-N 3.09Å; K112-W115 WeakPolarHBondContact O-CB 3.06Å; K112-W115 PolarHBondContact O-N 3.37Å; K112-Y131 PolarHBondContact N-O 3.35Å; K112-L133 VanDerWaalsContact CE-CD2 3.45Å; K112-L133 HydrophobicContact CG-CD2 4.35Å; K112-L133 HydrophobicContact CG-CG 4.46Å
113	C	86.2	Confident	80.1	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-15.3	-177.9	74.2	0	0	0	0	114.7	I54 R58 F62 V85 V86 D88 S117	I54-C113 HydrophobicContact CD1-CB 3.88Å; I54-C113 HydrophobicContact CG1-CB 4.33Å; R58-C113 PolarHBondContact NH1-SG 3.06Å; R58-C113 VanDerWaalsContact NH1-SG 3.42Å; R58-C113 PolarHBondContact NH2-SG 3.47Å; F62-C113 HydrophobicContact CE2-CB 4.19Å; V85-C113 HydrophobicContact CG1-CB 3.78Å; V86-C113 WeakPolarHBondContact O-CB 3.3Å; V86-C113 PolarHBondContact O-N 3.35Å; D88-C113 PolarHBondContact OD1-N 3.03Å; D88-C113 PolarHBondContact OD1-SG 3.3Å; D88-C113 PolarHBondContact OD2-SG 3.01Å; D88-C113 VanDerWaalsContact OD2-SG 3.37Å; C113-S117 WeakPolarHBondContact O-CB 3.48Å; C113-S117 PolarHBondContact O-N 3.49Å; C113-S117 PolarHBondContact O-OG 3.11Å
114	T	79.9	Confident	80.2	Confident	53 Å²	53	50.8 Å²	50.8	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-54.6	-45.7	163.1	25.3	0	0	0	0	112.6	D88 K112 L116 S117 T118	D88-T114 WeakPolarHBondContact OD1-CB 3.43Å; D88-T114 WeakPolarHBondContact OD1-CG2 3.14Å; D88-T114 PolarHBondContact OD1-N 2.69Å; D88-T114 PolarHBondContact OD1-OG1 2.9Å; K112-T114 WeakPolarHBondContact CB-OG1 3.33Å; K112-T114 PolarHBondContact O-N 3.5Å; K112-T114 VanDerWaalsContact O-N 3.09Å; T114-L116 PolarHBondContact O-N 2.94Å; T114-S117 WeakPolarHBondContact O-CB 3.47Å; T114-S117 PolarHBondContact O-N 3.3Å; T114-T118 PolarHBondContact O-N 3.16Å; T114-T118 PolarHBondContact O-OG1 3.01Å
115	W	88.1	Confident	80.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-55.1	-52.9	177.5	175.5	82.9	0	0	0	111.5	F42 H83 L111 K112 S117 T118 C119 L125 L126 D127 T128 Y131	F42-W115 HydrophobicContact CE1-CH2 4.26Å; F42-W115 HydrophobicContact CE1-CZ3 4.31Å; H83-W115 AromaticContact CD2-CH2 3.38Å; H83-W115 WeakPolarHBondContact CD2-CH2 3.48Å; H83-W115 AromaticContact CD2-CZ2 3.82Å; H83-W115 AromaticContact CD2-CZ3 3.91Å; H83-W115 AromaticContact NE2-CH2 3.62Å; H83-W115 AromaticContact NE2-CZ2 3.76Å; L111-W115 HydrophobicContact CB-CB 4.42Å; L111-W115 HydrophobicContact CD1-CB 4.38Å; L111-W115 HydrophobicContact CD1-CD2 3.39Å; L111-W115 HydrophobicContact CD1-CE3 3.68Å; L111-W115 HydrophobicContact CD1-CG 3.73Å; L111-W115 HydrophobicContact CD1-CH2 4.26Å; L111-W115 HydrophobicContact CD1-CZ2 4.01Å; L111-W115 HydrophobicContact CD1-CZ3 4.11Å; K112-W115 WeakPolarHBondContact O-CB 3.06Å; K112-W115 PolarHBondContact O-N 3.37Å; W115-S117 VanDerWaalsContact C-N 3.31Å; W115-S117 PolarHBondContact O-N 2.92Å; W115-T118 PolarHBondContact O-N 2.93Å; W115-C119 VanDerWaalsContact CE2-SG 3.54Å; W115-C119 WeakPolarHBondContact O-CB 3.44Å; W115-C119 PolarHBondContact O-N 3.33Å; W115-C119 PolarHBondContact O-SG 3.01Å; W115-L125 HydrophobicContact CH2-CD1 3.69Å; W115-L125 HydrophobicContact CZ2-CD1 3.52Å; W115-L125 HydrophobicContact CZ2-CG 4.2Å; W115-L126 PolarHBondContact NE1-O 3.09Å; W115-D127 PolarHBondContact NE1-O 3.12Å; W115-T128 HydrophobicContact CZ2-CG2 4.44Å; W115-Y131 HydrophobicContact CB-CD1 3.84Å; W115-Y131 HydrophobicContact CB-CD2 4.12Å; W115-Y131 HydrophobicContact CB-CG 3.62Å; W115-Y131 AromaticContact CD1-CD2 3.59Å; W115-Y131 AromaticContact CD1-CG 3.97Å; W115-Y131 HydrophobicContact CG-CD2 4.25Å; W115-Y131 HydrophobicContact CG-CG 4.2Å
116	L	80.3	Confident	80.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-41.4	179.9	-179.8	62.2	0	0	0	111.4	F42 I49 F62 I66 V85 T114 T118 I120	F42-L116 HydrophobicContact CE1-CD1 3.8Å; F42-L116 HydrophobicContact CZ-CD1 3.76Å; I49-L116 HydrophobicContact CD1-CD2 4.11Å; F62-L116 HydrophobicContact CB-CD2 3.89Å; F62-L116 HydrophobicContact CD1-CD2 4.07Å; F62-L116 HydrophobicContact CD1-CG 4.39Å; F62-L116 HydrophobicContact CD2-CD2 3.93Å; F62-L116 HydrophobicContact CE2-CD2 4.4Å; F62-L116 HydrophobicContact CG-CD2 3.74Å; I66-L116 HydrophobicContact CD1-CD1 3.94Å; I66-L116 HydrophobicContact CD1-CD2 3.96Å; I66-L116 HydrophobicContact CG1-CD1 3.8Å; V85-L116 HydrophobicContact CG1-CB 4.33Å; V85-L116 HydrophobicContact CG1-CD2 4.12Å; V85-L116 HydrophobicContact CG2-CB 4.38Å; V85-L116 HydrophobicContact CG2-CD2 4.33Å; T114-L116 PolarHBondContact O-N 2.94Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-T118 PolarHBondContact O-N 3.23Å; L116-I120 HydrophobicContact CD1-CD1 3.89Å; L116-I120 HydrophobicContact CD1-CG1 4.33Å; L116-I120 HydrophobicContact CG-CD1 3.9Å; L116-I120 WeakPolarHBondContact O-CB 3.38Å; L116-I120 WeakPolarHBondContact O-CD1 3.43Å; L116-I120 VanDerWaalsContact O-CG1 3.24Å; L116-I120 WeakPolarHBondContact O-CG1 3.21Å; L116-I120 PolarHBondContact O-N 3.12Å
117	S	76.1	Confident	80.9	Confident	40 Å²	40	50.1 Å²	50.1	28%	0.28	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-40.6	177.1	-55.7	0	0	0	0	111.9	F62 C113 T114 W115 S121	F62-S117 WeakPolarHBondContact CZ-OG 3.24Å; C113-S117 WeakPolarHBondContact O-CB 3.48Å; C113-S117 PolarHBondContact O-N 3.49Å; C113-S117 PolarHBondContact O-OG 3.11Å; T114-S117 WeakPolarHBondContact O-CB 3.47Å; T114-S117 PolarHBondContact O-N 3.3Å; W115-S117 VanDerWaalsContact C-N 3.31Å; W115-S117 PolarHBondContact O-N 2.92Å; S117-S121 WeakPolarHBondContact O-CB 3.28Å; S117-S121 PolarHBondContact O-N 3.21Å; S117-S121 VanDerWaalsContact O-N 3.09Å
118	T	66	Low	81.2	Confident	38 Å²	38	48.3 Å²	48.3	23%	0.233	25%	0.247	C	C	.	.	H	α-helix	trans	-76.3	-41	179.8	-45.3	0	0	0	0	111.7	T114 W115 L116 I120 S121 E122 L126	T114-T118 PolarHBondContact O-N 3.16Å; T114-T118 PolarHBondContact O-OG1 3.01Å; W115-T118 PolarHBondContact O-N 2.93Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-T118 PolarHBondContact O-N 3.23Å; T118-I120 VanDerWaalsContact C-N 3.32Å; T118-I120 PolarHBondContact O-N 2.77Å; T118-S121 CarbonylContact O-C 2.98Å; T118-S121 WeakPolarHBondContact O-CA 3.19Å; T118-S121 WeakPolarHBondContact O-CB 3.14Å; T118-S121 PolarHBondContact O-N 2.86Å; T118-E122 HydrophobicContact CG2-CG 4.34Å; T118-E122 WeakPolarHBondContact CG2-OE1 3.4Å; T118-E122 PolarHBondContact O-N 3.12Å; T118-L126 HydrophobicContact CG2-CD1 3.49Å; T118-L126 VanDerWaalsContact CG2-CD1 3.49Å
119	C	75.9	Confident	80.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-43.5	174.4	-66.7	0	0	0	0	111.9	F42 W115 E122 Q123 R124 L126	F42-C119 HydrophobicContact CE1-CB 3.93Å; F42-C119 HydrophobicContact CE2-CB 4.39Å; F42-C119 HydrophobicContact CZ-CB 3.45Å; F42-C119 VanDerWaalsContact CZ-CB 3.45Å; W115-C119 VanDerWaalsContact CE2-SG 3.54Å; W115-C119 WeakPolarHBondContact O-CB 3.44Å; W115-C119 PolarHBondContact O-N 3.33Å; W115-C119 PolarHBondContact O-SG 3.01Å; C119-E122 PolarHBondContact O-N 3.19Å; C119-Q123 PolarHBondContact O-N 2.99Å; C119-R124 VanDerWaalsContact CA-O 3.27Å; C119-R124 WeakPolarHBondContact CA-O 3.38Å; C119-R124 WeakPolarHBondContact CB-O 3.33Å; C119-R124 PolarHBondContact O-N 3.07Å; C119-L126 HydrophobicContact CB-CG 4.48Å; C119-L126 VanDerWaalsContact SG-CB 3.59Å; C119-L126 VanDerWaalsContact SG-CG 3.55Å; C119-L126 PolarHBondContact SG-N 3.26Å; C119-L126 VanDerWaalsContact SG-N 3.41Å
120	I	78.3	Confident	80.1	Confident	18 Å²	18	52.4 Å²	52.4	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-40.1	174.4	-67.6	165	0	0	0	110.9	F42 F62 Q65 L116 T118 Q123	F42-I120 HydrophobicContact CE2-CG1 3.85Å; F42-I120 HydrophobicContact CZ-CG1 3.9Å; F62-I120 HydrophobicContact CD1-CD1 4.08Å; Q65-I120 HydrophobicContact CB-CD1 3.77Å; Q65-I120 HydrophobicContact CB-CG1 4.38Å; Q65-I120 HydrophobicContact CB-CG2 4.4Å; L116-I120 HydrophobicContact CD1-CD1 3.89Å; L116-I120 HydrophobicContact CD1-CG1 4.33Å; L116-I120 HydrophobicContact CG-CD1 3.9Å; L116-I120 WeakPolarHBondContact O-CB 3.38Å; L116-I120 WeakPolarHBondContact O-CD1 3.43Å; L116-I120 VanDerWaalsContact O-CG1 3.24Å; L116-I120 WeakPolarHBondContact O-CG1 3.21Å; L116-I120 PolarHBondContact O-N 3.12Å; T118-I120 VanDerWaalsContact C-N 3.32Å; T118-I120 PolarHBondContact O-N 2.77Å; I120-Q123 PolarHBondContact O-NE2 2.84Å
121	S	70.5	Confident	79.8	Confident	99 Å²	99	55 Å²	55	69%	0.692	29%	0.293	S	S	*	.	H	α-helix	trans	-67.9	-32.3	178.8	-171.5	0	0	0	0	113.9	S117 T118	S117-S121 WeakPolarHBondContact O-CB 3.28Å; S117-S121 PolarHBondContact O-N 3.21Å; S117-S121 VanDerWaalsContact O-N 3.09Å; T118-S121 CarbonylContact O-C 2.98Å; T118-S121 WeakPolarHBondContact O-CA 3.19Å; T118-S121 WeakPolarHBondContact O-CB 3.14Å; T118-S121 PolarHBondContact O-N 2.86Å
122	E	74.9	Confident	79.5	Confident	91 Å²	91	56.5 Å²	56.5	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-100.6	-0.5	-177.8	-67	-171.3	-149.6	0	0	113.4	T118 C119 R124	T118-E122 HydrophobicContact CG2-CG 4.34Å; T118-E122 WeakPolarHBondContact CG2-OE1 3.4Å; T118-E122 PolarHBondContact O-N 3.12Å; C119-E122 PolarHBondContact O-N 3.19Å; E122-R124 HydrophobicContact CB-CG 3.95Å; E122-R124 PolarHBondContact O-N 2.85Å; E122-R124 IonicContact OE2-CZ 3.47Å; E122-R124 IonicContact OE2-NE 2.65Å; E122-R124 PolarHBondContact OE2-NE 3Å; E122-R124 IonicContact OE2-NH2 3.45Å; E122-R124 PolarHBondContact OE2-NH2 3.21Å
123	Q	76.4	Confident	79	Confident	110 Å²	110	55.4 Å²	55.4	51%	0.514	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	31.1	179.1	-63.1	-73.7	-78.7	0	0	113.5	A41 N69 C119 I120	A41-Q123 WeakPolarHBondContact CB-O 3.27Å; N69-Q123 PolarHBondContact OD1-NE2 3.36Å; N69-Q123 PolarHBondContact OD1-OE1 2.68Å; C119-Q123 PolarHBondContact O-N 2.99Å; I120-Q123 PolarHBondContact O-NE2 2.84Å
124	R	82.6	Confident	78	Confident	137 Å²	137	59.1 Å²	59.1	52%	0.517	32%	0.321	S	S	.	.	S	Bend	trans	-147.5	153.2	-179.8	69.1	-173.2	-177.2	109.9	-2.1	110.9	C119 E122 L126	C119-R124 VanDerWaalsContact CA-O 3.27Å; C119-R124 WeakPolarHBondContact CA-O 3.38Å; C119-R124 WeakPolarHBondContact CB-O 3.33Å; C119-R124 PolarHBondContact O-N 3.07Å; E122-R124 HydrophobicContact CB-CG 3.95Å; E122-R124 PolarHBondContact O-N 2.85Å; E122-R124 IonicContact OE2-CZ 3.47Å; E122-R124 IonicContact OE2-NE 2.65Å; E122-R124 PolarHBondContact OE2-NE 3Å; E122-R124 IonicContact OE2-NH2 3.45Å; E122-R124 PolarHBondContact OE2-NH2 3.21Å; R124-L126 HydrophobicContact CG-CD2 3.87Å; R124-L126 VanDerWaalsContact NH2-CD2 3.31Å
125	L	82.9	Confident	76.4	Confident	79 Å²	79	62.5 Å²	62.5	41%	0.414	34%	0.337	S	S	.	.			trans	-69.9	135.2	167	-157.4	67.6	0	0	0	109.3	F42 V45 W115	F42-L125 HydrophobicContact CD1-CD1 3.94Å; F42-L125 HydrophobicContact CE1-CD1 4.1Å; V45-L125 HydrophobicContact CG2-CD1 4.08Å; V45-L125 HydrophobicContact CG2-CD2 4.06Å; W115-L125 HydrophobicContact CH2-CD1 3.69Å; W115-L125 HydrophobicContact CZ2-CD1 3.52Å; W115-L125 HydrophobicContact CZ2-CG 4.2Å
126	L	81.4	Confident	74.2	Confident	18 Å²	18	67.6 Å²	67.6	9%	0.094	37%	0.37	C	S	.	.			trans	-107.3	155.7	178.4	-59.7	174.6	0	0	0	110.5	W115 T118 C119 R124	W115-L126 PolarHBondContact NE1-O 3.09Å; T118-L126 HydrophobicContact CG2-CD1 3.49Å; T118-L126 VanDerWaalsContact CG2-CD1 3.49Å; C119-L126 HydrophobicContact CB-CG 4.48Å; C119-L126 VanDerWaalsContact SG-CB 3.59Å; C119-L126 VanDerWaalsContact SG-CG 3.55Å; C119-L126 PolarHBondContact SG-N 3.26Å; C119-L126 VanDerWaalsContact SG-N 3.41Å; R124-L126 HydrophobicContact CG-CD2 3.87Å; R124-L126 VanDerWaalsContact NH2-CD2 3.31Å
127	D	83.5	Confident	72.1	Confident	116 Å²	116	74.4 Å²	74.4	62%	0.62	41%	0.406	S	S	*	.			trans	-57.9	149.8	170.7	-174.1	27.4	0	0	0	111.1	W115 Y131	W115-D127 PolarHBondContact NE1-O 3.12Å; D127-Y131 WeakPolarHBondContact O-CD2 3.34Å
128	T	83	Confident	70	Confident	24 Å²	24	81.5 Å²	81.5	15%	0.147	43%	0.432	C	S	.	.	S	Bend	trans	-96.1	-19.6	-169.7	62.9	0	0	0	0	112.9	Y109 L111 W115 D130 Y131 S132	Y109-T128 HydrophobicContact CD1-CG2 4.17Å; Y109-T128 HydrophobicContact CE1-CG2 4.45Å; Y109-T128 HydrophobicContact CG-CG2 4.32Å; L111-T128 HydrophobicContact CD1-CG2 3.82Å; W115-T128 HydrophobicContact CZ2-CG2 4.44Å; T128-D130 PolarHBondContact O-N 3.42Å; T128-Y131 CarbonylContact O-C 3.59Å; T128-Y131 PolarHBondContact O-N 3.46Å; T128-Y131 VanDerWaalsContact O-N 3.07Å; T128-S132 PolarHBondContact O-N 2.77Å
129	A	75.6	Confident	68.4	Low	62 Å²	62	86 Å²	86	51%	0.512	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-54.9	-53.7	-171.2	0	0	0	0	0	113.5	Y131 S132	A129-Y131 PolarHBondContact O-N 3.46Å; A129-S132 PolarHBondContact O-N 3.25Å
130	D	76.2	Confident	66.5	Low	148 Å²	148	94.6 Å²	94.6	79%	0.791	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-64.9	-12.1	-179.4	-74.5	-32.7	0	0	0	114.4	T128	T128-D130 PolarHBondContact O-N 3.42Å
131	Y	80.6	Confident	64.1	Low	55 Å²	55	102.9 Å²	102.9	22%	0.216	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-119.1	-7	-171.7	-56.6	-84.3	0	0	0	114.4	L111 K112 W115 D127 T128 A129	L111-Y131 WeakPolarHBondContact CA-O 3.21Å; K112-Y131 PolarHBondContact N-O 3.35Å; W115-Y131 HydrophobicContact CB-CD1 3.84Å; W115-Y131 HydrophobicContact CB-CD2 4.12Å; W115-Y131 HydrophobicContact CB-CG 3.62Å; W115-Y131 AromaticContact CD1-CD2 3.59Å; W115-Y131 AromaticContact CD1-CG 3.97Å; W115-Y131 HydrophobicContact CG-CD2 4.25Å; W115-Y131 HydrophobicContact CG-CG 4.2Å; D127-Y131 WeakPolarHBondContact O-CD2 3.34Å; T128-Y131 CarbonylContact O-C 3.59Å; T128-Y131 PolarHBondContact O-N 3.46Å; T128-Y131 VanDerWaalsContact O-N 3.07Å; A129-Y131 PolarHBondContact O-N 3.46Å
132	S	83.6	Confident	62	Low	33 Å²	33	104.7 Å²	104.7	23%	0.231	54%	0.542	C	S	.	.	B	Isolated β-bridge	trans	-77.3	146	-177.6	-166.9	0	0	0	0	112.6	L110 T128 A129 L134	L110-S132 WeakPolarHBondContact O-CA 3.37Å; T128-S132 PolarHBondContact O-N 2.77Å; A129-S132 PolarHBondContact O-N 3.25Å; S132-L134 PolarHBondContact OG-N 3.37Å; S132-L134 VanDerWaalsContact OG-N 3.15Å; S132-L134 PolarHBondContact OG-O 3.09Å
133	L	76.3	Confident	59.8	Low	42 Å²	42	106.5 Å²	106.5	22%	0.22	56%	0.56	C	S	.	*	S	Bend	trans	-94.7	-5.2	168.6	-66.1	177.9	0	0	0	112.7	V86 M90 C92 L110 K112	V86-L133 HydrophobicContact CG2-CD1 3.55Å; M90-L133 WeakPolarHBondContact O-CD1 3.09Å; C92-L133 HydrophobicContact CB-CB 4.49Å; L110-L133 HydrophobicContact CD2-CB 3.88Å; L110-L133 HydrophobicContact CD2-CD1 4.18Å; L110-L133 HydrophobicContact CG-CB 4.1Å; L110-L133 HydrophobicContact CG-CD1 4.21Å; L110-L133 PolarHBondContact O-N 3.34Å; K112-L133 VanDerWaalsContact CE-CD2 3.45Å; K112-L133 HydrophobicContact CG-CD2 4.35Å; K112-L133 HydrophobicContact CG-CG 4.46Å
134	L	66.4	Low	57.5	Low	79 Å²	79	109.8 Å²	109.8	41%	0.414	57%	0.572	S	S	.	*	S	Bend	trans	-132.7	125	177.1	-77.7	163.2	0	0	0	109.7	L104 L110 S132	L104-L134 HydrophobicContact CD1-CD1 3.48Å; L104-L134 VanDerWaalsContact CD1-CD1 3.48Å; L110-L134 HydrophobicContact CB-CD1 4.26Å; L110-L134 HydrophobicContact CD2-CD1 4.15Å; S132-L134 PolarHBondContact OG-N 3.37Å; S132-L134 VanDerWaalsContact OG-N 3.15Å; S132-L134 PolarHBondContact OG-O 3.09Å
135	N	46.3	Very low	55	Low	124 Å²	124	110.3 Å²	110.3	66%	0.663	59%	0.585	S	S	*	*			trans	-96.7	130.1	177.4	-161.9	37.6	0	0	0	109.2	D137	N135-D137 VanDerWaalsContact C-N 3.31Å; N135-D137 PolarHBondContact O-N 3.15Å
136	P	40.9	Very low	52.3	Low	107 Å²	107	109.8 Å²	109.8	70%	0.695	60%	0.6	S	S	*	*	S	Bend	trans	-60.9	-33	-175.1	-27.1	36.3	0	0	0	115	K138	P136-K138 PolarHBondContact O-N 3.06Å
137	D	36.1	Very low	49.6	Very low	142 Å²	142	115 Å²	115	76%	0.759	63%	0.632	S	S	*	*	S	Bend	trans	-97.7	54	-167.6	-63.1	-56.2	0	0	0	114.5	N135	N135-D137 VanDerWaalsContact C-N 3.31Å; N135-D137 PolarHBondContact O-N 3.15Å
138	K	32.4	Very low	46.9	Very low	190 Å²	190	117 Å²	117	83%	0.826	64%	0.635	S	S	*	*			trans	-147.3	69	165.1	-80.3	-151.5	172.7	-166	0	113.6	P136	P136-K138 PolarHBondContact O-N 3.06Å
139	D	32	Very low	44.2	Very low	131 Å²	131	122.9 Å²	122.9	70%	0.701	66%	0.661	S	S	*	*			trans	-142.8	52.4	161.7	-125.8	-18.8	0	0	0	111	R103	R103-D139 IonicContact NH1-OD2 2.76Å; R103-D139 PolarHBondContact NH1-OD2 3.17Å
140	M	36.5	Very low	41.8	Very low	181 Å²	181	126.8 Å²	126.8	89%	0.892	67%	0.673	S	S	*	*			trans	-142.7	147.6	159.8	-86.5	-150.3	157.7	0	0	110
141	E	28.5	Very low	39.5	Very low	192 Å²	192	126.4 Å²	126.4	90%	0.897	68%	0.676	S	S	*	*			trans	63	119.7	-165.5	-58.5	-171.4	168.5	0	0	112.7
142	T	26.7	Very low	36.8	Very low	137 Å²	137	130.6 Å²	130.6	84%	0.84	70%	0.701	S	S	*	*			cis	-145.6	149.1	17.2	20.7	0	0	0	0	112.2
143	T	28.5	Very low	34.1	Very low	129 Å²	129	135.5 Å²	135.5	79%	0.791	73%	0.725	S	S	*	*			trans	-94.8	136.2	156.8	42.6	0	0	0	0	110.6
144	K	28.3	Very low	31.7	Very low	179 Å²	179	139.4 Å²	139.4	78%	0.778	76%	0.755	S	S	*	*			trans	169.3	144.6	132.9	-94.8	171.6	-179.9	-177.8	0	113.4
145	D	28.9	Very low	29.9	Very low	148 Å²	148	143.3 Å²	143.3	79%	0.791	78%	0.775	S	S	*	*			trans	36.9	129.8	140.1	-38.3	-30.8	0	0	0	120
146	G	25.9	Very low	29	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	78%	0.782	S	S	*	*			cis	158	145.2	-8.9	0	0	0	0	0	114.6
147	V	26.6	Very low	28.3	Very low	127 Å²	127	145.7 Å²	145.7	77%	0.77	79%	0.788	S	S	*	*			trans	69.9	123	144	-177.3	0	0	0	0	120.5
148	K	25.1	Very low	28.3	Very low	158 Å²	158	144.9 Å²	144.9	69%	0.687	79%	0.79	S	S	*	*			trans	72.2	152.9	154.7	-79.2	172.7	173	-79.5	0	119
149	E	26.5	Very low	28	Very low	147 Å²	147	139.7 Å²	139.7	69%	0.687	78%	0.783	S	S	*	*			cis	-154	179	-12.7	-141	143.8	-157.9	0	0	112
150	D	26.2	Very low	27.7	Very low	144 Å²	144	138.9 Å²	138.9	77%	0.77	78%	0.783	S	S	*	*			trans	-77.6	168.3	-175.6	-61.1	-85.6	0	0	0	116.6
151	V	26.6	Very low	27.3	Very low	141 Å²	141	137.7 Å²	137.7	86%	0.855	78%	0.775	S	S	*	*				160.5	135	115.1	165.6	0	0	0	0	114.6
152	L	25.6	Very low	27.2	Very low	142 Å²	142	133.9 Å²	133.9	74%	0.743	76%	0.761	S	S	*	*			trans	-31	151.4	168.9	-110.5	67.6	0	0	0	122.5
153	N	25.8	Very low	27.2	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	75%	0.753	S	S	*	*			trans	38.2	129.2	135.3	-62.5	-6.6	0	0	0	122.2
154	S	25.8	Very low	27	Very low	123 Å²	123	136.7 Å²	136.7	86%	0.86	76%	0.756	S	S	*	*				175.9	161.1	107.1	-76.8	0	0	0	0	114.5
155	I	28	Very low	26.8	Very low	162 Å²	162	136.7 Å²	136.7	83%	0.831	76%	0.758	S	S	*	*			trans	-112.5	136	178.3	-73.9	166.6	0	0	0	108.7
156	P	29.3	Very low	27.3	Very low	124 Å²	124	134.7 Å²	134.7	81%	0.805	75%	0.753	S	S	*	*				-150	154	110.7	36.4	-17.9	0	0	0	118
157	L	26.2	Very low	27.2	Very low	157 Å²	157	139 Å²	139	82%	0.822	76%	0.759	S	S	*	*			trans	-78.7	159.4	160.7	-82.8	162.5	0	0	0	110.2
158	P	35.2	Very low	27.2	Very low	124 Å²	124	137.3 Å²	137.3	81%	0.805	75%	0.752	S	S	*	*				-143.5	-170.2	64.1	44.3	-25	0	0	0	113.3
159	A	26.3	Very low	27.2	Very low	81 Å²	81	137.2 Å²	137.2	67%	0.669	76%	0.759	S	S	*	*			cis	-148.6	-158.1	8.9	0	0	0	0	0	109.5
160	T	25.8	Very low	27.1	Very low	114 Å²	114	138.9 Å²	138.9	70%	0.699	77%	0.767	S	S	*	*			cis	-162.5	145.8	1.6	4	0	0	0	0	108.7
161	Q	27.5	Very low	27	Very low	157 Å²	157	139 Å²	139	73%	0.734	77%	0.773	S	S	*	*			trans	44.7	151.2	137.8	-58.2	-172.9	-83.2	0	0	123.1
162	D	25.9	Very low	26.8	Very low	112 Å²	112	141.5 Å²	141.5	60%	0.599	77%	0.773	S	S	*	*			cis	-161.1	131.7	-18.9	-103.6	-20.8	0	0	0	113.1
163	I	26.5	Very low	27.4	Very low	132 Å²	132	140.3 Å²	140.3	68%	0.677	77%	0.773	S	S	*	*				38.4	114.8	125.7	-54.1	172.6	0	0	0	120.4
164	K	25.3	Very low	27.3	Very low	193 Å²	193	141.4 Å²	141.4	84%	0.839	78%	0.779	S	S	*	*				-178.9	153.5	106.5	-118.5	129.3	-169.3	178.3	0	116.6
165	Q	23.7	Very low	27.2	Very low	179 Å²	179	143.8 Å²	143.8	84%	0.836	78%	0.777	S	S	*	*			trans	-131.3	-161.5	154.5	-49.4	-178.8	-57.3	0	0	106.4
166	P	39	Very low	27	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	78%	0.78	S	S	*	*			cis	-134.9	-152.2	-16.4	27.6	-1.1	0	0	0	112.6
167	I	25.4	Very low	26.6	Very low	160 Å²	160	142.4 Å²	142.4	82%	0.821	78%	0.779	S	S	*	*			trans	108.8	162.4	156.4	-59.6	168.8	0	0	0	116.1
168	S	25.7	Very low	26.5	Very low	91 Å²	91	143.7 Å²	143.7	64%	0.636	78%	0.781	S	S	*	*			trans	-112.6	174	-144.4	50.6	0	0	0	0	116
169	D	24.7	Very low	25.9	Very low	156 Å²	156	143.2 Å²	143.2	83%	0.834	78%	0.776	S	S	*	*				-178	178.3	111.5	-92.7	9.5	0	0	0	113.8
170	E	25.1	Very low	25.8	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	78%	0.781	S	S	*	*			trans	-90.9	152.2	-168.3	-49.8	-177.6	121.9	0	0	114.9
171	T	23.6	Very low	25.6	Very low	147 Å²	147	148.9 Å²	148.9	90%	0.902	79%	0.789	S	S	*	*				-170.3	165.1	129	10.6	0	0	0	0	114.6
172	K	23.6	Very low	25.4	Very low	193 Å²	193	148 Å²	148	84%	0.839	79%	0.789	S	S	*	*			trans	-142.3	174.4	171.3	-93	-172.7	179.3	-178.3	0	107.2
173	P	36.8	Very low	25.3	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	80%	0.801	S	S	*	*			cis	-125.1	-169.6	-26.3	38.6	-23	0	0	0	111.1
174	N	23.7	Very low	25.2	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	81%	0.809	S	S	*	*			trans	-158.6	163.4	139.2	-138.5	-6.9	0	0	0	113.2
175	E	23.8	Very low	25.3	Very low	173 Å²	173	150.8 Å²	150.8	81%	0.808	81%	0.811	S	S	*	*			trans	-104.2	158.3	-178.8	-60.3	174.8	113.5	0	0	112.6
176	S	23.8	Very low	25.5	Very low	128 Å²	128	151.1 Å²	151.1	90%	0.895	81%	0.812	S	S	*	*			trans	-158.1	146.5	145.3	-26.6	0	0	0	0	110.8
177	T	21.7	Very low	25	Very low	128 Å²	128	156.5 Å²	156.5	79%	0.785	82%	0.82	S	S	*	*			trans	-109.9	156.2	-179.8	46.6	0	0	0	0	112.7
178	E	23.6	Very low	25.1	Very low	184 Å²	184	152.7 Å²	152.7	86%	0.86	82%	0.82	S	S	*	*			trans	160.2	150.4	143.7	-91.2	175.3	-163.7	0	0	109.1
179	T	21.8	Very low	25.5	Very low	114 Å²	114	151.2 Å²	151.2	70%	0.699	81%	0.807	S	S	*	*			cis	-175.8	127.7	-47.2	19.5	0	0	0	0	108.1
180	V	24.2	Very low	26.1	Very low	128 Å²	128	145.8 Å²	145.8	78%	0.776	78%	0.781	S	S	*	*			trans	57.4	112.7	148.3	-171	0	0	0	0	121.4
181	Q	23.3	Very low	26.7	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.874	78%	0.775	S	S	*	*				-176.7	107.8	123.9	-99.5	170.8	11.8	0	0	106.8
182	D	22.6	Very low	27.2	Very low	138 Å²	138	140 Å²	140	74%	0.738	75%	0.75	S	S	*	*				74.1	90.2	65	-171.1	18.5	0	0	0	115
183	T	24.4	Very low	27.8	Very low	137 Å²	137	134.4 Å²	134.4	84%	0.84	73%	0.729	S	S	*	*			trans	-148.4	99.4	147.9	53.9	0	0	0	0	111.5
184	K	24	Very low	28.1	Very low	197 Å²	197	131.1 Å²	131.1	86%	0.857	71%	0.705	S	S	*	*			trans	39.2	128.5	148.8	-68	-174.8	173.1	-176.1	0	121.9
185	D	26.3	Very low	29	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	69%	0.692	S	S	*	*			trans	-68.7	145.4	160.7	-47.3	-92.6	0	0	0	113.6
186	E	28.1	Very low	29.6	Very low	185 Å²	185	121.3 Å²	121.3	86%	0.864	65%	0.654	S	S	*	*			trans	-152.2	63.8	156.2	-157.4	165.3	-115.9	0	0	111.4
187	Y	29.5	Very low	30.1	Very low	220 Å²	220	116 Å²	116	86%	0.863	62%	0.616	S	S	*	*			trans	-127.7	49.1	177.4	-79.6	-81.4	0	0	0	112.8	V189	Y187-V189 PolarHBondContact O-N 2.95Å
188	G	26.6	Very low	31	Very low	79 Å²	79	114.2 Å²	114.2	81%	0.814	60%	0.601	S	S	*	*			trans	-83.1	92.1	167.2	0	0	0	0	0	111.1	S190	G188-S190 PolarHBondContact O-N 2.7Å
189	V	34.3	Very low	31.7	Very low	61 Å²	61	108 Å²	108	37%	0.37	58%	0.578	S	S	.	*			trans	-68.7	126.5	174.8	-177.6	0	0	0	0	109.5	Y187 D193 P422	Y187-V189 PolarHBondContact O-N 2.95Å; V189-D193 HydrophobicContact CG1-CB 3.92Å; V189-P422 HydrophobicContact CB-CB 4.02Å; V189-P422 HydrophobicContact CG1-CB 4.06Å; V189-P422 HydrophobicContact CG2-CB 3.88Å
190	S	37.9	Very low	32.2	Very low	42 Å²	42	103 Å²	103	29%	0.294	55%	0.549	S	S	.	.			trans	-84	156.3	-176.2	77.5	0	0	0	0	112.3	G188 S192 D193 L194	G188-S190 PolarHBondContact O-N 2.7Å; S190-S192 WeakPolarHBondContact CB-OG 3.45Å; S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-OG 3.02Å; S190-D193 VanDerWaalsContact CB-OD2 3.28Å; S190-D193 WeakPolarHBondContact CB-OD2 3.27Å; S190-D193 PolarHBondContact N-OD2 3.24Å; S190-D193 WeakPolarHBondContact O-CB 3.41Å; S190-D193 PolarHBondContact O-N 3.09Å; S190-D193 PolarHBondContact OG-N 2.6Å; S190-D193 PolarHBondContact OG-OD2 2.9Å; S190-L194 PolarHBondContact O-N 2.78Å
191	Q	37.1	Very low	32.6	Very low	155 Å²	155	102.1 Å²	102.1	72%	0.724	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-27.9	174.4	-169.8	166.7	-19	0	0	112.1	L194 E195	Q191-L194 PolarHBondContact O-N 2.87Å; Q191-E195 PolarHBondContact O-N 2.8Å
192	S	34.2	Very low	32.8	Very low	53 Å²	53	99.8 Å²	99.8	37%	0.371	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-35.5	170.1	19.2	0	0	0	0	114	S190 L194 E195 A196	S190-S192 WeakPolarHBondContact CB-OG 3.45Å; S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-OG 3.02Å; S192-L194 VanDerWaalsContact C-N 3.35Å; S192-E195 PolarHBondContact O-N 3.32Å; S192-A196 WeakPolarHBondContact O-CB 3.37Å; S192-A196 PolarHBondContact O-N 3.15Å
193	D	37	Very low	33.1	Very low	75 Å²	75	96.7 Å²	96.7	40%	0.401	52%	0.516	S	S	.	.	H	α-helix	trans	-69.3	-38.4	176	-59.1	-54.4	0	0	0	110.5	V189 S190 A196 L197	V189-D193 HydrophobicContact CG1-CB 3.92Å; S190-D193 VanDerWaalsContact CB-OD2 3.28Å; S190-D193 WeakPolarHBondContact CB-OD2 3.27Å; S190-D193 PolarHBondContact N-OD2 3.24Å; S190-D193 WeakPolarHBondContact O-CB 3.41Å; S190-D193 PolarHBondContact O-N 3.09Å; S190-D193 PolarHBondContact OG-N 2.6Å; S190-D193 PolarHBondContact OG-OD2 2.9Å; D193-A196 PolarHBondContact O-N 3.36Å; D193-L197 WeakPolarHBondContact O-CB 3.32Å; D193-L197 PolarHBondContact O-N 2.71Å
194	L	42.8	Very low	33.6	Very low	47 Å²	47	98.8 Å²	98.8	25%	0.246	51%	0.513	C	S	.	.	H	α-helix	trans	-64.2	-43	174.2	177.4	57	0	0	0	112.1	S190 Q191 S192 L197 I198 L398	S190-L194 PolarHBondContact O-N 2.78Å; Q191-L194 PolarHBondContact O-N 2.87Å; S192-L194 VanDerWaalsContact C-N 3.35Å; L194-L197 VanDerWaalsContact O-CB 3.31Å; L194-L197 WeakPolarHBondContact O-CB 3.06Å; L194-L197 PolarHBondContact O-N 3.09Å; L194-I198 HydrophobicContact CD1-CD1 3.78Å; L194-I198 HydrophobicContact CD1-CG1 4.25Å; L194-I198 HydrophobicContact CG-CD1 3.99Å; L194-I198 WeakPolarHBondContact O-CG1 3.5Å; L194-I198 PolarHBondContact O-N 3.35Å; L194-L398 HydrophobicContact CD1-CD1 3.58Å; L194-L398 HydrophobicContact CD1-CD2 3.49Å; L194-L398 VanDerWaalsContact CD1-CD2 3.49Å; L194-L398 HydrophobicContact CD1-CG 4.17Å; L194-L398 HydrophobicContact CD2-CD2 3.88Å; L194-L398 HydrophobicContact CG-CD2 4.35Å
195	E	42.8	Very low	34	Very low	124 Å²	124	97.2 Å²	97.2	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-64.7	-38.2	173.8	-74	-170.9	160	0	0	112.2	Q191 S192 L197 I198 S199	Q191-E195 PolarHBondContact O-N 2.8Å; S192-E195 PolarHBondContact O-N 3.32Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 2.83Å; E195-I198 PolarHBondContact O-N 2.65Å; E195-S199 VanDerWaalsContact O-CB 3.26Å; E195-S199 WeakPolarHBondContact O-CB 3.38Å; E195-S199 PolarHBondContact O-N 2.89Å; E195-S199 PolarHBondContact O-OG 3.49Å
196	A	35	Very low	34.2	Very low	3 Å²	3	97.2 Å²	97.2	3%	0.025	51%	0.509	C	S	.	.	H	α-helix	trans	-64.9	-33.6	173.3	0	0	0	0	0	112.6	S192 D193 G200 L201	S192-A196 WeakPolarHBondContact O-CB 3.37Å; S192-A196 PolarHBondContact O-N 3.15Å; D193-A196 PolarHBondContact O-N 3.36Å; A196-G200 CarbonylContact O-C 3.58Å; A196-G200 WeakPolarHBondContact O-CA 3.49Å; A196-G200 PolarHBondContact O-N 2.87Å; A196-L201 VanDerWaalsContact CA-O 3.31Å; A196-L201 WeakPolarHBondContact CA-O 3.48Å; A196-L201 WeakPolarHBondContact CB-O 3.44Å
197	L	35.3	Very low	34.1	Very low	16 Å²	16	94.9 Å²	94.9	8%	0.084	51%	0.507	C	S	.	.	H	α-helix	trans	-66.4	-41.6	175.1	-149.1	76.5	0	0	0	112.2	D193 L194 E195 L398 Y483 F486 L540	D193-L197 WeakPolarHBondContact O-CB 3.32Å; D193-L197 PolarHBondContact O-N 2.71Å; L194-L197 VanDerWaalsContact O-CB 3.31Å; L194-L197 WeakPolarHBondContact O-CB 3.06Å; L194-L197 PolarHBondContact O-N 3.09Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 2.83Å; L197-L398 HydrophobicContact CD2-CD1 4.01Å; L197-Y483 HydrophobicContact CD2-CE2 3.75Å; L197-Y483 WeakPolarHBondContact CD2-OH 3.45Å; L197-F486 HydrophobicContact CD1-CD1 4.32Å; L197-F486 HydrophobicContact CD2-CD1 3.54Å; L197-F486 HydrophobicContact CD2-CE1 3.29Å; L197-F486 HydrophobicContact CD2-CG 4.47Å; L197-F486 HydrophobicContact CD2-CZ 4.04Å; L197-F486 HydrophobicContact CG-CD1 3.92Å; L197-F486 HydrophobicContact CG-CE1 3.69Å; L197-L540 WeakPolarHBondContact CD1-O 3.39Å
198	I	40.3	Very low	34.4	Very low	92 Å²	92	90.2 Å²	90.2	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-80.1	-47.7	-176.3	-67.4	167	0	0	0	111.5	L194 E195	L194-I198 HydrophobicContact CD1-CD1 3.78Å; L194-I198 HydrophobicContact CD1-CG1 4.25Å; L194-I198 HydrophobicContact CG-CD1 3.99Å; L194-I198 WeakPolarHBondContact O-CG1 3.5Å; L194-I198 PolarHBondContact O-N 3.35Å; E195-I198 PolarHBondContact O-N 2.65Å
199	S	38.7	Very low	34.4	Very low	53 Å²	53	92.5 Å²	92.5	37%	0.371	51%	0.508	S	S	.	.	H	α-helix	trans	-86.1	-15.3	-177.4	70.6	0	0	0	0	114.2	E195 L201	E195-S199 VanDerWaalsContact O-CB 3.26Å; E195-S199 WeakPolarHBondContact O-CB 3.38Å; E195-S199 PolarHBondContact O-N 2.89Å; E195-S199 PolarHBondContact O-OG 3.49Å; S199-L201 PolarHBondContact O-N 2.98Å; S199-L201 PolarHBondContact OG-N 3.47Å; S199-L201 VanDerWaalsContact OG-N 3.11Å
200	G	31.6	Very low	34.3	Very low	10 Å²	10	96.6 Å²	96.6	10%	0.103	53%	0.533	C	S	.	.	S	Bend	trans	70.9	4.2	-170	0	0	0	0	0	114.5	A196 K543	A196-G200 CarbonylContact O-C 3.58Å; A196-G200 WeakPolarHBondContact O-CA 3.49Å; A196-G200 PolarHBondContact O-N 2.87Å; G200-K543 WeakPolarHBondContact O-CD 3.49Å; G200-K543 WeakPolarHBondContact O-CE 3.38Å; G200-K543 PolarHBondContact O-NZ 3.01Å
201	L	33	Very low	33.9	Very low	109 Å²	109	99.2 Å²	99.2	57%	0.571	56%	0.557	S	S	*	*			trans	-112.9	121.3	-174	-68.6	166.7	0	0	0	111.7	A196 S199	A196-L201 VanDerWaalsContact CA-O 3.31Å; A196-L201 WeakPolarHBondContact CA-O 3.48Å; A196-L201 WeakPolarHBondContact CB-O 3.44Å; S199-L201 PolarHBondContact O-N 2.98Å; S199-L201 PolarHBondContact OG-N 3.47Å; S199-L201 VanDerWaalsContact OG-N 3.11Å
202	H	26.6	Very low	33.5	Very low	137 Å²	137	98.5 Å²	98.5	63%	0.634	56%	0.564	S	S	*	*			trans	-66.4	138.7	167.8	-72.2	-72.7	0	0	0	110.7
203	P	30.1	Very low	33.3	Very low	74 Å²	74	100.5 Å²	100.5	48%	0.481	58%	0.583	S	S	.	*			trans	-57.3	137.5	165	-22.7	33.4	0	0	0	111.1	N205	P203-N205 PolarHBondContact O-N 3.32Å
204	K	35.1	Very low	33.1	Very low	181 Å²	181	103.1 Å²	103.1	79%	0.787	60%	0.604	S	S	*	*			trans	-84.7	102.3	172.4	-69.6	-177.5	180	179.8	0	109.9	E206	K204-E206 PolarHBondContact O-N 2.87Å
205	N	31.1	Very low	32.9	Very low	163 Å²	163	106.5 Å²	106.5	87%	0.872	63%	0.632	S	S	*	*			trans	-76.1	105.5	159.4	-74.6	-12.2	0	0	0	108.4	P203	P203-N205 PolarHBondContact O-N 3.32Å
206	E	30.6	Very low	32.5	Very low	163 Å²	163	107.8 Å²	107.8	76%	0.762	64%	0.643	S	S	*	*			trans	-83.1	121.8	178.1	-64.6	-167.6	154.8	0	0	111.6	K204	K204-E206 PolarHBondContact O-N 2.87Å
207	T	26.9	Very low	32.7	Very low	136 Å²	136	112.5 Å²	112.5	83%	0.834	67%	0.673	S	S	*	*			trans	-158.7	139.3	146.9	0	0	0	0	0	109.1
208	P	35.8	Very low	32.7	Very low	121 Å²	121	120.5 Å²	120.5	79%	0.786	71%	0.71	S	S	*	*			trans	-89.4	140.2	-171.3	33.7	-33.7	0	0	0	112.8
209	S	26.7	Very low	32.6	Very low	128 Å²	128	123.3 Å²	123.3	90%	0.895	72%	0.721	S	S	*	*			trans	-153.6	132.8	158.3	-83.7	0	0	0	0	111.3
210	T	32.2	Very low	32.5	Very low	146 Å²	146	129.3 Å²	129.3	90%	0.896	74%	0.74	S	S	*	*			trans	-92.4	121.8	-177.4	47.4	0	0	0	0	111.5
211	A	28.5	Very low	33	Very low	98 Å²	98	133 Å²	133	81%	0.81	76%	0.763	S	S	*	*			trans	-154.1	137.8	156.2	0	0	0	0	0	112.2
212	T	29	Very low	33.9	Very low	140 Å²	140	131.6 Å²	131.6	86%	0.859	76%	0.755	S	S	*	*			trans	-32.1	134	171.7	43.2	0	0	0	0	117.5
213	A	29.6	Very low	35	Very low	94 Å²	94	130 Å²	130	78%	0.777	76%	0.759	S	S	*	*			trans	-94.1	142.7	163.2	0	0	0	0	0	111.9
214	P	33.6	Very low	36.3	Very low	130 Å²	130	128.3 Å²	128.3	84%	0.844	76%	0.756	S	S	*	*			trans	-85.1	141.4	155.5	33.3	-28.5	0	0	0	110.2
215	S	39.1	Very low	37.9	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	75%	0.748	S	S	*	*			trans	-107	127.5	-173.8	58.2	0	0	0	0	113.3
216	D	32.9	Very low	40.3	Very low	151 Å²	151	121 Å²	121	81%	0.807	72%	0.715	S	S	*	*			trans	-155.9	169.8	156.5	-154.4	21.8	0	0	0	110.6
217	P	39.7	Very low	42.8	Very low	101 Å²	101	114.6 Å²	114.6	66%	0.656	69%	0.687	S	S	*	*				-94.5	142.7	-82.5	26	-16.6	0	0	0	112.3	Q219	P217-Q219 PolarHBondContact O-N 3.27Å
218	Q	35.4	Very low	45.7	Very low	184 Å²	184	108.1 Å²	108.1	86%	0.86	65%	0.647	S	S	*	*			trans	-66.2	99.6	177.8	-69.2	-176.5	-4.7	0	0	112.4	K220	Q218-K220 PolarHBondContact O-N 3.25Å
219	Q	38.1	Very low	48.2	Very low	152 Å²	152	102.7 Å²	102.7	71%	0.71	61%	0.613	S	S	*	*			trans	-63.3	102.7	151.7	-73.4	-168.7	26.5	0	0	107.9	P217	P217-Q219 PolarHBondContact O-N 3.27Å
220	K	36.5	Very low	51	Low	178 Å²	178	99.5 Å²	99.5	77%	0.774	58%	0.584	S	S	*	*			trans	-53.1	126.6	167.9	-78.9	-178.2	174.8	176.5	0	108.2	Q218	Q218-K220 PolarHBondContact O-N 3.25Å
221	P	43.1	Very low	53.6	Low	88 Å²	88	93.1 Å²	93.1	57%	0.571	55%	0.545	S	S	*	.			trans	-59.3	142.8	-177.6	23.9	-33.6	0	0	0	110	S223	P221-S223 PolarHBondContact O-N 3.35Å
222	L	51.2	Low	56.2	Low	79 Å²	79	89 Å²	89	41%	0.414	51%	0.511	S	S	.	.			trans	-75.9	51.7	-176.6	-70.4	170.7	0	0	0	112.6	L506	L222-L506 HydrophobicContact CD1-CD1 4.13Å
223	S	49.2	Very low	58.6	Low	103 Å²	103	88.5 Å²	88.5	72%	0.72	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	144.9	176.1	-171.2	0	0	0	0	111.3	P221 K225	P221-S223 PolarHBondContact O-N 3.35Å; S223-K225 PolarHBondContact O-N 3.26Å
224	G	57.8	Low	60.2	Low	40 Å²	40	88 Å²	88	41%	0.412	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-46.4	172.8	0	0	0	0	0	116	Q230	G224-Q230 PolarHBondContact O-NE2 3.41Å
225	K	69.6	Low	61.4	Low	140 Å²	140	85.3 Å²	85.3	61%	0.609	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-35.2	-169.6	-170.5	169.8	-176.5	173.6	0	115.3	S223 Q290	S223-K225 PolarHBondContact O-N 3.26Å; K225-Q290 PolarHBondContact O-NE2 3.01Å
226	W	81.6	Confident	62.4	Low	51 Å²	51	83.5 Å²	83.5	19%	0.193	45%	0.448	C	S	.	.			trans	-107.6	133.1	-169.2	-62.7	101.4	0	0	0	112.3	C228 A229 A505 L506 T509	W226-C228 VanDerWaalsContact C-N 3.28Å; W226-C228 PolarHBondContact O-N 3.05Å; W226-A229 HydrophobicContact CB-CB 4.26Å; W226-A229 WeakPolarHBondContact O-CB 3.28Å; W226-A229 PolarHBondContact O-N 2.9Å; W226-A505 HydrophobicContact CH2-CB 4.27Å; W226-A505 HydrophobicContact CZ3-CB 3.72Å; W226-L506 HydrophobicContact CD2-CB 4.16Å; W226-L506 HydrophobicContact CD2-CD1 4.42Å; W226-L506 HydrophobicContact CE3-CB 4.33Å; W226-L506 HydrophobicContact CG-CD1 4.41Å; W226-L506 HydrophobicContact CZ2-CD1 4.45Å; W226-T509 HydrophobicContact CH2-CG2 3.91Å; W226-T509 HydrophobicContact CZ2-CG2 3.82Å
227	V	83	Confident	64.5	Low	27 Å²	27	82.8 Å²	82.8	16%	0.164	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-56.9	-41	177.3	154.8	0	0	0	0	112	A229 Q230 S502 W561	V227-A229 PolarHBondContact O-N 2.94Å; V227-Q230 PolarHBondContact O-N 3.34Å; V227-Q230 VanDerWaalsContact O-N 3.09Å; V227-S502 PolarHBondContact N-OG 3.33Å; V227-W561 HydrophobicContact CB-CD2 4.48Å; V227-W561 HydrophobicContact CG1-CB 3.58Å; V227-W561 HydrophobicContact CG1-CD2 3.54Å; V227-W561 HydrophobicContact CG1-CE3 4.01Å; V227-W561 HydrophobicContact CG1-CG 3.36Å; V227-W561 HydrophobicContact CG2-CD2 4.37Å; V227-W561 HydrophobicContact CG2-CE3 4.08Å; V227-W561 HydrophobicContact CG2-CZ3 4.25Å
228	C	87.9	Confident	66.7	Low	0 Å²	0	80.1 Å²	80.1	0%	0	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-71.1	-10.2	178.3	59.8	0	0	0	0	115.3	W226 F499 S502 M503	W226-C228 VanDerWaalsContact C-N 3.28Å; W226-C228 PolarHBondContact O-N 3.05Å; C228-F499 VanDerWaalsContact CA-CE2 3.45Å; C228-F499 HydrophobicContact CB-CD2 3.85Å; C228-F499 HydrophobicContact CB-CE1 4.42Å; C228-F499 HydrophobicContact CB-CE2 3.56Å; C228-F499 HydrophobicContact CB-CG 4.39Å; C228-F499 HydrophobicContact CB-CZ 3.84Å; C228-S502 PolarHBondContact N-OG 2.86Å; C228-S502 VanDerWaalsContact N-OG 3.11Å; C228-S502 VanDerWaalsContact SG-C 3.54Å; C228-S502 PolarHBondContact SG-OG 3.48Å; C228-M503 HydrophobicContact CB-CG 3.58Å; C228-M503 HydrophobicContact CB-SD 3.48Å; C228-M503 WeakPolarHBondContact CB-SD 3.19Å
229	A	88.1	Confident	69.2	Low	8 Å²	8	74.5 Å²	74.5	7%	0.066	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-92.9	-2.9	171.9	0	0	0	0	0	112.6	W226 V227 I551	W226-A229 HydrophobicContact CB-CB 4.26Å; W226-A229 WeakPolarHBondContact O-CB 3.28Å; W226-A229 PolarHBondContact O-N 2.9Å; V227-A229 PolarHBondContact O-N 2.94Å; A229-I551 HydrophobicContact CB-CB 4.29Å; A229-I551 HydrophobicContact CB-CG2 3.88Å
230	Q	84.7	Confident	71.7	Confident	61 Å²	61	67.3 Å²	67.3	29%	0.285	36%	0.364	S	S	.	.	S	Bend	trans	-113.1	144.4	-178.2	-62.8	179.2	3.6	0	0	110.9	G224 V227 W561	G224-Q230 PolarHBondContact O-NE2 3.41Å; V227-Q230 PolarHBondContact O-N 3.34Å; V227-Q230 VanDerWaalsContact O-N 3.09Å; Q230-W561 HydrophobicContact CB-CZ2 3.84Å; Q230-W561 PolarHBondContact O-NE1 3.19Å
231	S	87.6	Confident	74.3	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.084	35%	0.35	C	S	.	.			trans	-71.6	137.6	172.5	-174.3	0	0	0	0	111.4	Q233 S234 E558	S231-Q233 VanDerWaalsContact C-N 3.26Å; S231-Q233 PolarHBondContact OG-N 2.83Å; S231-S234 PolarHBondContact O-OG 3Å; S231-E558 WeakPolarHBondContact CB-OE1 3.03Å; S231-E558 WeakPolarHBondContact OG-CG 3.41Å; S231-E558 PolarHBondContact OG-OE1 3.08Å
232	S	82.4	Confident	76.3	Confident	12 Å²	12	64 Å²	64	8%	0.084	34%	0.342	C	S	.	.	S	Bend	trans	-76.2	-12.6	163.3	64.3	0	0	0	0	113.3	K235 Q557 E558 R559 D560	S232-K235 WeakPolarHBondContact O-CB 3.42Å; S232-K235 VanDerWaalsContact O-CD 3.3Å; S232-K235 WeakPolarHBondContact O-CD 3.47Å; S232-K235 VanDerWaalsContact O-CG 3.23Å; S232-K235 WeakPolarHBondContact O-CG 3.46Å; S232-Q557 PolarHBondContact OG-O 3.47Å; S232-Q557 VanDerWaalsContact OG-O 3.04Å; S232-E558 WeakPolarHBondContact CB-O 3.2Å; S232-E558 PolarHBondContact N-O 2.81Å; S232-E558 WeakPolarHBondContact OG-CA 3.38Å; S232-E558 PolarHBondContact OG-O 2.66Å; S232-E558 VanDerWaalsContact OG-O 3.08Å; S232-R559 PolarHBondContact OG-N 3.46Å; S232-D560 WeakPolarHBondContact CB-O 3.47Å; S232-D560 PolarHBondContact OG-N 3.45Å
233	Q	78.8	Confident	78.3	Confident	129 Å²	129	60.2 Å²	60.2	60%	0.603	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-20.8	176.3	-66.1	-173.1	-20	0	0	112.7	S231 K235 Q557 E558	S231-Q233 VanDerWaalsContact C-N 3.26Å; S231-Q233 PolarHBondContact OG-N 2.83Å; Q233-K235 PolarHBondContact O-N 3.19Å; Q233-K235 VanDerWaalsContact O-N 3.07Å; Q233-Q557 VanDerWaalsContact NE2-CB 3.31Å; Q233-E558 HydrophobicContact CG-CG 4.23Å
234	S	64.8	Low	80.4	Confident	84 Å²	84	55.3 Å²	55.3	59%	0.587	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	17.5	165.9	61.7	0	0	0	0	113.4	S231 V236	S231-S234 PolarHBondContact O-OG 3Å; S234-V236 PolarHBondContact O-N 3.49Å
235	K	58.4	Low	82	Confident	72 Å²	72	56.4 Å²	56.4	31%	0.313	28%	0.284	S	S	.	.			trans	-77	96.4	168.1	-72.8	176.5	-177	173	0	108.4	S232 Q233 D560	S232-K235 WeakPolarHBondContact O-CB 3.42Å; S232-K235 VanDerWaalsContact O-CD 3.3Å; S232-K235 WeakPolarHBondContact O-CD 3.47Å; S232-K235 VanDerWaalsContact O-CG 3.23Å; S232-K235 WeakPolarHBondContact O-CG 3.46Å; Q233-K235 PolarHBondContact O-N 3.19Å; Q233-K235 VanDerWaalsContact O-N 3.07Å; K235-D560 PolarHBondContact NZ-O 3.28Å
236	V	58.8	Low	83.1	Confident	81 Å²	81	52.4 Å²	52.4	49%	0.491	27%	0.267	S	S	.	.			trans	-53.3	160	162.5	-160.4	0	0	0	0	109.3	S234	S234-V236 PolarHBondContact O-N 3.49Å
237	D	77.4	Confident	83.7	Confident	136 Å²	136	50 Å²	50	73%	0.727	26%	0.258	S	S	*	.			trans	-44.5	142.2	174.7	-80.1	-55.6	0	0	0	113.1	H239	D237-H239 PolarHBondContact O-CE1 3.43Å; D237-H239 PolarHBondContact O-N 3.45Å; D237-H239 PolarHBondContact O-ND1 2.97Å
238	N	85.9	Confident	84.3	Confident	45 Å²	45	52 Å²	52	24%	0.241	27%	0.265	C	S	.	.			trans	-74.7	76.2	-179.6	-178.5	16.8	0	0	0	111.1	N240 K241 T244	N238-N240 PolarHBondContact O-N 3.36Å; N238-N240 PolarHBondContact OD1-N 2.87Å; N238-K241 WeakPolarHBondContact ND2-CA 3.21Å; N238-K241 WeakPolarHBondContact O-CB 3.48Å; N238-K241 PolarHBondContact O-N 2.84Å; N238-K241 PolarHBondContact OD1-N 2.98Å; N238-T244 PolarHBondContact ND2-OG1 3.27Å
239	H	87.8	Confident	84.5	Confident	67 Å²	67	55.2 Å²	55.2	31%	0.31	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-25	174.7	-58.2	104.1	0	0	0	113.8	D237 Y276 H277 K278 P279	D237-H239 PolarHBondContact O-CE1 3.43Å; D237-H239 PolarHBondContact O-N 3.45Å; D237-H239 PolarHBondContact O-ND1 2.97Å; H239-Y276 PolarHBondContact ND1-O 3.28Å; H239-H277 VanDerWaalsContact CE1-C 3.49Å; H239-H277 PolarHBondContact CE1-O 3.01Å; H239-K278 PolarHBondContact ND1-N 2.68Å; H239-P279 HydrophobicContact CB-CG 4.02Å
240	N	90.8	Very high	84.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	19.6	-174.2	-59.9	-70.7	0	0	0	112.5	N238 H242 I243 T244 L273 K278 P279 I280	N238-N240 PolarHBondContact O-N 3.36Å; N238-N240 PolarHBondContact OD1-N 2.87Å; N240-H242 VanDerWaalsContact C-N 3.3Å; N240-H242 PolarHBondContact O-N 3.06Å; N240-I243 HydrophobicContact CB-CD1 4.09Å; N240-I243 WeakPolarHBondContact O-CA 3.31Å; N240-I243 WeakPolarHBondContact O-CB 3.26Å; N240-I243 PolarHBondContact O-N 2.9Å; N240-T244 PolarHBondContact O-N 2.96Å; N240-L273 HydrophobicContact CB-CB 4.24Å; N240-L273 HydrophobicContact CB-CD2 4.37Å; N240-L273 PolarHBondContact ND2-O 2.99Å; N240-L273 VanDerWaalsContact ND2-O 3.16Å; N240-K278 PolarHBondContact ND2-O 2.87Å; N240-P279 WeakPolarHBondContact OD1-CA 3.2Å; N240-I280 PolarHBondContact OD1-N 3.16Å
241	K	90.8	Very high	85.1	Confident	111 Å²	111	52.3 Å²	52.3	48%	0.483	27%	0.271	S	S	.	.	H	α-helix	trans	-50.5	-45.7	-173.2	-166.8	-172.8	-172.3	-47.5	0	114	N238 I243 T244 D245	N238-K241 WeakPolarHBondContact ND2-CA 3.21Å; N238-K241 WeakPolarHBondContact O-CB 3.48Å; N238-K241 PolarHBondContact O-N 2.84Å; N238-K241 PolarHBondContact OD1-N 2.98Å; K241-I243 PolarHBondContact O-N 2.97Å; K241-T244 WeakPolarHBondContact CA-OG1 3.35Å; K241-T244 PolarHBondContact O-N 3.28Å; K241-T244 VanDerWaalsContact O-N 3.07Å; K241-T244 PolarHBondContact O-OG1 3.02Å; K241-T244 VanDerWaalsContact O-OG1 3.1Å; K241-D245 WeakPolarHBondContact CG-OD1 3.45Å; K241-D245 IonicContact NZ-OD1 3.14Å; K241-D245 PolarHBondContact NZ-OD1 2.96Å; K241-D245 IonicContact NZ-OD2 3.23Å; K241-D245 PolarHBondContact NZ-OD2 2.96Å; K241-D245 WeakPolarHBondContact O-CB 3.35Å; K241-D245 PolarHBondContact O-N 2.86Å
242	H	86.6	Confident	85.2	Confident	86 Å²	86	56.3 Å²	56.3	40%	0.398	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-28.1	179.4	60.3	-82.8	0	0	0	113.3	N240 K246 M304	N240-H242 VanDerWaalsContact C-N 3.3Å; N240-H242 PolarHBondContact O-N 3.06Å; H242-K246 WeakPolarHBondContact O-CG 3.36Å; H242-M304 PolarHBondContact NE2-SD 3.28Å; H242-M304 VanDerWaalsContact NE2-SD 3.36Å
243	I	92.2	Very high	85.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-80.5	-49.1	169.6	-59.7	147	0	0	0	110.4	N240 K241 D245 K246 L247 L273 V300 I303 M304	N240-I243 HydrophobicContact CB-CD1 4.09Å; N240-I243 WeakPolarHBondContact O-CA 3.31Å; N240-I243 WeakPolarHBondContact O-CB 3.26Å; N240-I243 PolarHBondContact O-N 2.9Å; K241-I243 PolarHBondContact O-N 2.97Å; I243-D245 PolarHBondContact O-N 3.05Å; I243-K246 PolarHBondContact O-N 2.99Å; I243-L247 HydrophobicContact CG2-CD1 3.74Å; I243-L247 HydrophobicContact CG2-CG 4.23Å; I243-L247 WeakPolarHBondContact O-CG 3.43Å; I243-L247 PolarHBondContact O-N 3.48Å; I243-L247 VanDerWaalsContact O-N 3.15Å; I243-L273 HydrophobicContact CG2-CD1 3.65Å; I243-V300 HydrophobicContact CD1-CG1 3.89Å; I243-V300 HydrophobicContact CG1-CG1 4.35Å; I243-V300 HydrophobicContact CG2-CG1 4.37Å; I243-V300 HydrophobicContact CG2-CG2 4.09Å; I243-I303 HydrophobicContact CG1-CB 4.48Å; I243-I303 HydrophobicContact CG1-CG2 4.12Å; I243-I303 HydrophobicContact CG2-CD1 3.99Å; I243-M304 HydrophobicContact CD1-CG 4.45Å; I243-M304 HydrophobicContact CD1-SD 3.92Å; I243-M304 HydrophobicContact CG1-SD 4.36Å
244	T	93.4	Very high	86.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-41.4	-172.8	60.4	0	0	0	0	112.4	N238 N240 K241 K246 L247 E248 L273 K274	N238-T244 PolarHBondContact ND2-OG1 3.27Å; N240-T244 PolarHBondContact O-N 2.96Å; K241-T244 WeakPolarHBondContact CA-OG1 3.35Å; K241-T244 PolarHBondContact O-N 3.28Å; K241-T244 VanDerWaalsContact O-N 3.07Å; K241-T244 PolarHBondContact O-OG1 3.02Å; K241-T244 VanDerWaalsContact O-OG1 3.1Å; T244-K246 VanDerWaalsContact C-N 3.26Å; T244-K246 PolarHBondContact O-N 3.33Å; T244-L247 PolarHBondContact O-N 2.92Å; T244-L247 VanDerWaalsContact O-N 3.16Å; T244-E248 WeakPolarHBondContact O-CB 3.48Å; T244-E248 WeakPolarHBondContact O-CG 3.39Å; T244-E248 PolarHBondContact O-N 2.56Å; T244-L273 HydrophobicContact CG2-CB 3.58Å; T244-L273 HydrophobicContact CG2-CD1 4.19Å; T244-K274 HydrophobicContact CG2-CG 3.88Å
245	D	91.9	Very high	87.5	Confident	62 Å²	62	49.8 Å²	49.8	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-56.7	-41.5	179.2	-65.5	-6.3	0	0	0	111.4	K241 I243 V249	K241-D245 WeakPolarHBondContact CG-OD1 3.45Å; K241-D245 IonicContact NZ-OD1 3.14Å; K241-D245 PolarHBondContact NZ-OD1 2.96Å; K241-D245 IonicContact NZ-OD2 3.23Å; K241-D245 PolarHBondContact NZ-OD2 2.96Å; K241-D245 WeakPolarHBondContact O-CB 3.35Å; K241-D245 PolarHBondContact O-N 2.86Å; I243-D245 PolarHBondContact O-N 3.05Å; D245-V249 PolarHBondContact O-N 2.84Å
246	K	92.2	Very high	89	Confident	56 Å²	56	47.2 Å²	47.2	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-40.2	179.2	-57.4	-73.4	-178.3	168.6	0	111.8	H242 I243 T244 I303 G307 I312	H242-K246 WeakPolarHBondContact O-CG 3.36Å; I243-K246 PolarHBondContact O-N 2.99Å; T244-K246 VanDerWaalsContact C-N 3.26Å; T244-K246 PolarHBondContact O-N 3.33Å; K246-I303 HydrophobicContact CB-CD1 3.72Å; K246-I303 HydrophobicContact CB-CG1 4.28Å; K246-I303 HydrophobicContact CG-CD1 4.25Å; K246-I303 HydrophobicContact CG-CG1 4.38Å; K246-I303 HydrophobicContact CG-CG2 4.26Å; K246-G307 VanDerWaalsContact CE-O 3.27Å; K246-G307 WeakPolarHBondContact CE-O 3.46Å; K246-G307 PolarHBondContact NZ-O 2.93Å; K246-G307 VanDerWaalsContact NZ-O 3.15Å; K246-I312 HydrophobicContact CB-CD1 3.92Å; K246-I312 HydrophobicContact CD-CD1 3.99Å; K246-I312 WeakPolarHBondContact O-CD1 3.47Å
247	L	94.5	Very high	90.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-74.2	-28.2	179	-62.8	-179.8	0	0	0	112.5	I243 T244 L250 A251 Y266 V270 L273 M296 I303 L309	I243-L247 HydrophobicContact CG2-CD1 3.74Å; I243-L247 HydrophobicContact CG2-CG 4.23Å; I243-L247 WeakPolarHBondContact O-CG 3.43Å; I243-L247 PolarHBondContact O-N 3.48Å; I243-L247 VanDerWaalsContact O-N 3.15Å; T244-L247 PolarHBondContact O-N 2.92Å; T244-L247 VanDerWaalsContact O-N 3.16Å; L247-L250 PolarHBondContact O-N 2.83Å; L247-A251 PolarHBondContact O-N 3.04Å; L247-Y266 HydrophobicContact CB-CD1 4.32Å; L247-Y266 HydrophobicContact CD2-CD1 3.92Å; L247-Y266 HydrophobicContact CD2-CE1 3.91Å; L247-V270 HydrophobicContact CB-CG2 3.6Å; L247-L273 HydrophobicContact CD1-CD1 3.54Å; L247-M296 HydrophobicContact CD1-SD 4.23Å; L247-M296 HydrophobicContact CD2-SD 4.21Å; L247-I303 HydrophobicContact CD2-CD1 4.11Å; L247-I303 HydrophobicContact CG-CD1 4.19Å; L247-L309 HydrophobicContact CD2-CD2 3.81Å
248	E	94.2	Very high	90.9	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	21%	0.214	S	C	.	.	H	α-helix	trans	-65.7	-39.9	173.5	-78.3	179.4	172.4	0	0	112.2	T244 L250 A251 K252 V270 K274	T244-E248 WeakPolarHBondContact O-CB 3.48Å; T244-E248 WeakPolarHBondContact O-CG 3.39Å; T244-E248 PolarHBondContact O-N 2.56Å; E248-L250 VanDerWaalsContact C-N 3.29Å; E248-L250 PolarHBondContact O-N 3.41Å; E248-A251 PolarHBondContact O-N 3.3Å; E248-K252 WeakPolarHBondContact O-CB 3.2Å; E248-K252 PolarHBondContact O-N 3.49Å; E248-V270 HydrophobicContact CG-CB 4.4Å; E248-V270 HydrophobicContact CG-CG1 3.68Å; E248-V270 HydrophobicContact CG-CG2 3.84Å; E248-V270 WeakPolarHBondContact OE1-CG1 3.39Å; E248-K274 WeakPolarHBondContact OE1-CE 3.29Å; E248-K274 IonicContact OE1-NZ 3.43Å; E248-K274 PolarHBondContact OE1-NZ 3.17Å; E248-K274 IonicContact OE2-NZ 3.63Å
249	V	93.4	Very high	91	Very high	67 Å²	67	41.3 Å²	41.3	41%	0.406	21%	0.213	S	C	.	.	H	α-helix	trans	-56.9	-43	172.6	173.3	0	0	0	0	111.2	D245 A253 I312 L315	D245-V249 PolarHBondContact O-N 2.84Å; V249-A253 VanDerWaalsContact O-CB 3.32Å; V249-A253 WeakPolarHBondContact O-CB 3.47Å; V249-A253 PolarHBondContact O-N 3.26Å; V249-I312 HydrophobicContact CG1-CG2 4.04Å; V249-L315 HydrophobicContact CG1-CD1 4Å
250	L	92.6	Very high	90.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.1	-39.7	175.1	-67.2	-172.6	0	0	0	113	L247 E248 K252 A253 Y254 Y266 L309 K311 I312 L315	L247-L250 PolarHBondContact O-N 2.83Å; E248-L250 VanDerWaalsContact C-N 3.29Å; E248-L250 PolarHBondContact O-N 3.41Å; L250-K252 VanDerWaalsContact C-N 3.31Å; L250-K252 PolarHBondContact O-N 3.17Å; L250-A253 PolarHBondContact O-N 3.08Å; L250-Y254 HydrophobicContact CB-CD2 4.42Å; L250-Y254 HydrophobicContact CB-CE2 4.41Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 WeakPolarHBondContact O-CD2 3.5Å; L250-Y254 PolarHBondContact O-N 3.07Å; L250-Y266 HydrophobicContact CB-CD1 4.21Å; L250-Y266 HydrophobicContact CB-CD2 4.32Å; L250-Y266 HydrophobicContact CB-CE1 4.18Å; L250-Y266 HydrophobicContact CB-CE2 4.31Å; L250-Y266 HydrophobicContact CB-CG 4.31Å; L250-Y266 HydrophobicContact CD1-CE1 3.75Å; L250-L309 HydrophobicContact CD1-CD2 3.44Å; L250-L309 VanDerWaalsContact CD1-CD2 3.44Å; L250-L309 HydrophobicContact CD1-CG 4.33Å; L250-L309 HydrophobicContact CG-CD2 4.34Å; L250-K311 HydrophobicContact CD1-CB 4.27Å; L250-K311 HydrophobicContact CD1-CG 4.27Å; L250-K311 HydrophobicContact CD2-CG 4.35Å; L250-I312 HydrophobicContact CD2-CG1 3.96Å; L250-I312 HydrophobicContact CG-CG1 4.1Å; L250-L315 HydrophobicContact CD2-CD1 4.18Å; L250-L315 HydrophobicContact CD2-CD2 3.9Å; L250-L315 HydrophobicContact CD2-CG 4.18Å
251	A	91.5	Very high	90.4	Very high	8 Å²	8	58.1 Å²	58.1	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-44.5	176	0	0	0	0	0	111.5	L247 E248 T255	L247-A251 PolarHBondContact O-N 3.04Å; E248-A251 PolarHBondContact O-N 3.3Å; A251-T255 PolarHBondContact O-N 3.36Å; A251-T255 VanDerWaalsContact O-N 3.09Å; A251-T255 PolarHBondContact O-OG1 3.19Å
252	K	91.4	Very high	90.3	Very high	96 Å²	96	58.7 Å²	58.7	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-64.1	-52.7	176.5	-169.8	177.5	-175.2	-151.6	0	111.1	E248 L250 Y254 T255 H256 E323	E248-K252 WeakPolarHBondContact O-CB 3.2Å; E248-K252 PolarHBondContact O-N 3.49Å; L250-K252 VanDerWaalsContact C-N 3.31Å; L250-K252 PolarHBondContact O-N 3.17Å; K252-Y254 VanDerWaalsContact C-N 3.35Å; K252-Y254 PolarHBondContact O-N 3.26Å; K252-T255 WeakPolarHBondContact O-CA 3.4Å; K252-T255 VanDerWaalsContact O-CB 3.29Å; K252-T255 WeakPolarHBondContact O-CB 3.3Å; K252-T255 PolarHBondContact O-N 3Å; K252-H256 WeakPolarHBondContact CE-NE2 3.45Å; K252-H256 WeakPolarHBondContact CG-NE2 3.39Å; K252-H256 PolarHBondContact O-CD2 2.81Å; K252-H256 PolarHBondContact O-N 3.18Å; K252-H256 VanDerWaalsContact O-N 3.09Å; K252-E323 VanDerWaalsContact CE-CD 3.41Å; K252-E323 WeakPolarHBondContact CE-OE1 3.45Å; K252-E323 WeakPolarHBondContact CE-OE2 3.49Å; K252-E323 IonicContact NZ-OE1 2.68Å; K252-E323 PolarHBondContact NZ-OE1 3.21Å; K252-E323 IonicContact NZ-OE2 2.7Å; K252-E323 PolarHBondContact NZ-OE2 3.34Å
253	A	92.2	Very high	90.3	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-43.6	178.5	0	0	0	0	0	113.2	V249 L250 T255 H256 Q257 L315 V319	V249-A253 VanDerWaalsContact O-CB 3.32Å; V249-A253 WeakPolarHBondContact O-CB 3.47Å; V249-A253 PolarHBondContact O-N 3.26Å; L250-A253 PolarHBondContact O-N 3.08Å; A253-T255 VanDerWaalsContact C-N 3.3Å; A253-T255 PolarHBondContact O-N 2.88Å; A253-H256 PolarHBondContact O-N 3.27Å; A253-Q257 WeakPolarHBondContact O-CB 3.48Å; A253-Q257 VanDerWaalsContact O-CG 3.28Å; A253-Q257 WeakPolarHBondContact O-CG 3.35Å; A253-Q257 PolarHBondContact O-N 3.11Å; A253-L315 HydrophobicContact CB-CD1 3.77Å; A253-L315 HydrophobicContact CB-CD2 3.65Å; A253-L315 HydrophobicContact CB-CG 4.35Å; A253-V319 HydrophobicContact CB-CG1 3.73Å; A253-V319 HydrophobicContact CB-CG2 4.4Å
254	Y	91.5	Very high	89.8	Confident	11 Å²	11	56.5 Å²	56.5	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-28.6	175.5	-76.9	-55.3	0	0	0	113.2	L250 K252 G258 D259 R262 Y266	L250-Y254 HydrophobicContact CB-CD2 4.42Å; L250-Y254 HydrophobicContact CB-CE2 4.41Å; L250-Y254 WeakPolarHBondContact O-CB 3.34Å; L250-Y254 WeakPolarHBondContact O-CD2 3.5Å; L250-Y254 PolarHBondContact O-N 3.07Å; K252-Y254 VanDerWaalsContact C-N 3.35Å; K252-Y254 PolarHBondContact O-N 3.26Å; Y254-G258 PolarHBondContact O-N 3.01Å; Y254-D259 HydrophobicContact CD1-CB 4.11Å; Y254-D259 PolarHBondContact O-N 3.32Å; Y254-R262 HydrophobicContact CD1-CB 4.18Å; Y254-R262 HydrophobicContact CD2-CB 3.98Å; Y254-R262 HydrophobicContact CE2-CB 4.42Å; Y254-R262 HydrophobicContact CG-CB 3.86Å; Y254-Y266 AromaticContact CD2-CD2 3.79Å; Y254-Y266 HydrophobicContact CD2-CD2 3.79Å; Y254-Y266 AromaticContact CD2-CE2 3.59Å; Y254-Y266 HydrophobicContact CD2-CE2 3.59Å; Y254-Y266 HydrophobicContact CE2-CD2 4.14Å; Y254-Y266 AromaticContact CE2-CE2 3.45Å; Y254-Y266 HydrophobicContact CE2-CE2 3.45Å; Y254-Y266 VanDerWaalsContact CE2-CE2 3.45Å
255	T	89.8	Confident	89.4	Confident	74 Å²	74	57.9 Å²	57.9	45%	0.454	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-51	174.2	-58.9	0	0	0	0	111	A251 K252 A253 Q257 G258 A263	A251-T255 PolarHBondContact O-N 3.36Å; A251-T255 VanDerWaalsContact O-N 3.09Å; A251-T255 PolarHBondContact O-OG1 3.19Å; K252-T255 WeakPolarHBondContact O-CA 3.4Å; K252-T255 VanDerWaalsContact O-CB 3.29Å; K252-T255 WeakPolarHBondContact O-CB 3.3Å; K252-T255 PolarHBondContact O-N 3Å; A253-T255 VanDerWaalsContact C-N 3.3Å; A253-T255 PolarHBondContact O-N 2.88Å; T255-Q257 VanDerWaalsContact C-N 3.35Å; T255-Q257 PolarHBondContact O-N 3.06Å; T255-G258 PolarHBondContact O-N 2.82Å; T255-A263 WeakPolarHBondContact OG1-CB 3.43Å
256	H	90.2	Very high	89.4	Confident	19 Å²	19	55.9 Å²	55.9	9%	0.088	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-32.2	179.8	-57	-62.6	0	0	0	112.8	K252 A253 G258 L322 E323 T326	K252-H256 WeakPolarHBondContact CE-NE2 3.45Å; K252-H256 WeakPolarHBondContact CG-NE2 3.39Å; K252-H256 PolarHBondContact O-CD2 2.81Å; K252-H256 PolarHBondContact O-N 3.18Å; K252-H256 VanDerWaalsContact O-N 3.09Å; A253-H256 PolarHBondContact O-N 3.27Å; H256-G258 PolarHBondContact O-N 3.33Å; H256-L322 HydrophobicContact CB-CB 4.43Å; H256-E323 HydrophobicContact CB-CB 4.37Å; H256-E323 IonicContact CD2-OE2 2.87Å; H256-E323 IonicContact NE2-OE2 3.74Å; H256-T326 PolarHBondContact ND1-OG1 3.07Å
257	Q	89.1	Confident	89	Confident	60 Å²	60	55.9 Å²	55.9	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-19.9	169.8	-73.8	176.2	2.9	0	0	113.7	A253 T255 V319 L322 Q337	A253-Q257 WeakPolarHBondContact O-CB 3.48Å; A253-Q257 VanDerWaalsContact O-CG 3.28Å; A253-Q257 WeakPolarHBondContact O-CG 3.35Å; A253-Q257 PolarHBondContact O-N 3.11Å; T255-Q257 VanDerWaalsContact C-N 3.35Å; T255-Q257 PolarHBondContact O-N 3.06Å; Q257-V319 HydrophobicContact CG-CG2 4.26Å; Q257-L322 HydrophobicContact CG-CD1 4.32Å; Q257-Q337 PolarHBondContact O-NE2 2.82Å; Q257-Q337 VanDerWaalsContact O-NE2 3.12Å
258	G	86.2	Confident	88.5	Confident	36 Å²	36	60.9 Å²	60.9	37%	0.371	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	3.4	-177.5	0	0	0	0	0	115.5	Y254 T255 H256 R260	Y254-G258 PolarHBondContact O-N 3.01Å; T255-G258 PolarHBondContact O-N 2.82Å; H256-G258 PolarHBondContact O-N 3.33Å; G258-R260 VanDerWaalsContact C-N 3.31Å; G258-R260 PolarHBondContact O-N 2.93Å
259	D	88.2	Confident	88.2	Confident	41 Å²	41	57.5 Å²	57.5	22%	0.219	28%	0.28	C	S	.	.			trans	-82.2	78.6	175.7	-162.3	-46.6	0	0	0	111.4	Y254 W261 R262 A263	Y254-D259 HydrophobicContact CD1-CB 4.11Å; Y254-D259 PolarHBondContact O-N 3.32Å; D259-W261 PolarHBondContact O-N 3.27Å; D259-W261 VanDerWaalsContact O-N 3.17Å; D259-W261 PolarHBondContact OD1-N 3.47Å; D259-R262 HydrophobicContact CB-CB 4.42Å; D259-R262 VanDerWaalsContact CG-NE 3.34Å; D259-R262 PolarHBondContact O-N 2.83Å; D259-R262 WeakPolarHBondContact OD1-CB 3.3Å; D259-R262 PolarHBondContact OD1-N 3.43Å; D259-R262 IonicContact OD1-NE 3.3Å; D259-R262 IonicContact OD2-CZ 3.96Å; D259-R262 IonicContact OD2-NE 3.91Å; D259-R262 PolarHBondContact OD2-NE 3.3Å; D259-R262 IonicContact OD2-NH2 2.81Å; D259-R262 PolarHBondContact OD2-NH2 2.72Å; D259-A263 VanDerWaalsContact O-CB 3.26Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.93Å
260	R	84.1	Confident	88.1	Confident	206 Å²	206	54.7 Å²	54.7	78%	0.777	26%	0.263	S	S	*	.	H	α-helix	trans	-59.9	-24.5	-179.2	-57	179.6	75.8	178	6.7	113.2	G258 L264	G258-R260 VanDerWaalsContact C-N 3.31Å; G258-R260 PolarHBondContact O-N 2.93Å; R260-L264 WeakPolarHBondContact O-CB 3.29Å; R260-L264 PolarHBondContact O-N 3.27Å; R260-L264 VanDerWaalsContact O-N 3.15Å
261	W	82.8	Confident	87.6	Confident	215 Å²	215	55.5 Å²	55.5	81%	0.814	27%	0.269	S	S	*	.	H	α-helix	trans	-81.4	-47.2	-178.6	-68.6	115.8	0	0	0	112	D259 G265	D259-W261 PolarHBondContact O-N 3.27Å; D259-W261 VanDerWaalsContact O-N 3.17Å; D259-W261 PolarHBondContact OD1-N 3.47Å; W261-G265 PolarHBondContact O-N 3.3Å
262	R	87.8	Confident	87.3	Confident	122 Å²	122	55.8 Å²	55.8	46%	0.46	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-44.9	172.6	-78.3	-174.9	-82.4	-179	-2.1	111	Y254 D259 L264 G265 Y266	Y254-R262 HydrophobicContact CD1-CB 4.18Å; Y254-R262 HydrophobicContact CD2-CB 3.98Å; Y254-R262 HydrophobicContact CE2-CB 4.42Å; Y254-R262 HydrophobicContact CG-CB 3.86Å; D259-R262 HydrophobicContact CB-CB 4.42Å; D259-R262 VanDerWaalsContact CG-NE 3.34Å; D259-R262 PolarHBondContact O-N 2.83Å; D259-R262 WeakPolarHBondContact OD1-CB 3.3Å; D259-R262 PolarHBondContact OD1-N 3.43Å; D259-R262 IonicContact OD1-NE 3.3Å; D259-R262 IonicContact OD2-CZ 3.96Å; D259-R262 IonicContact OD2-NE 3.91Å; D259-R262 PolarHBondContact OD2-NE 3.3Å; D259-R262 IonicContact OD2-NH2 2.81Å; D259-R262 PolarHBondContact OD2-NH2 2.72Å; R262-L264 PolarHBondContact O-N 2.9Å; R262-G265 WeakPolarHBondContact O-CA 3.4Å; R262-G265 PolarHBondContact O-N 2.88Å; R262-Y266 WeakPolarHBondContact O-CD2 3.22Å; R262-Y266 PolarHBondContact O-N 2.74Å
263	A	87	Confident	87.2	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-52.7	-53.9	174.8	0	0	0	0	0	111.9	T255 D259 G265 Y266 S267	T255-A263 WeakPolarHBondContact OG1-CB 3.43Å; D259-A263 VanDerWaalsContact O-CB 3.26Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.93Å; A263-G265 VanDerWaalsContact C-N 3.25Å; A263-G265 PolarHBondContact O-N 3.25Å; A263-Y266 PolarHBondContact O-N 3.42Å; A263-S267 PolarHBondContact O-N 2.97Å; A263-S267 PolarHBondContact O-OG 2.83Å; A263-S267 VanDerWaalsContact O-OG 3.1Å
264	L	82.7	Confident	86.9	Confident	35 Å²	35	54.5 Å²	54.5	18%	0.183	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-33.6	176.7	178.4	62.9	0	0	0	113.1	R260 R262 K268 R501	R260-L264 WeakPolarHBondContact O-CB 3.29Å; R260-L264 PolarHBondContact O-N 3.27Å; R260-L264 VanDerWaalsContact O-N 3.15Å; R262-L264 PolarHBondContact O-N 2.9Å; L264-K268 HydrophobicContact CD1-CD 4.48Å; L264-K268 HydrophobicContact CD1-CG 4.31Å; L264-K268 HydrophobicContact CG-CD 4.43Å; L264-K268 WeakPolarHBondContact O-CB 3.21Å; L264-K268 VanDerWaalsContact O-CG 3.31Å; L264-K268 WeakPolarHBondContact O-CG 3.17Å; L264-K268 PolarHBondContact O-N 3.46Å; L264-R501 VanDerWaalsContact CD2-NH2 3.33Å
265	G	84.8	Confident	86.4	Confident	30 Å²	30	56.2 Å²	56.2	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-49	174.1	0	0	0	0	0	112.6	W261 R262 A263 K268 A269	W261-G265 PolarHBondContact O-N 3.3Å; R262-G265 WeakPolarHBondContact O-CA 3.4Å; R262-G265 PolarHBondContact O-N 2.88Å; A263-G265 VanDerWaalsContact C-N 3.25Å; A263-G265 PolarHBondContact O-N 3.25Å; G265-K268 PolarHBondContact O-N 3.14Å; G265-A269 PolarHBondContact O-N 2.81Å; G265-A269 VanDerWaalsContact O-N 3.13Å
266	Y	90.8	Very high	86.3	Confident	20 Å²	20	54.7 Å²	54.7	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-44.4	175.5	-73.4	-77.2	0	0	0	111.8	L247 L250 Y254 R262 A263 K268 A269 V270 M296 K299	L247-Y266 HydrophobicContact CB-CD1 4.32Å; L247-Y266 HydrophobicContact CD2-CD1 3.92Å; L247-Y266 HydrophobicContact CD2-CE1 3.91Å; L250-Y266 HydrophobicContact CB-CD1 4.21Å; L250-Y266 HydrophobicContact CB-CD2 4.32Å; L250-Y266 HydrophobicContact CB-CE1 4.18Å; L250-Y266 HydrophobicContact CB-CE2 4.31Å; L250-Y266 HydrophobicContact CB-CG 4.31Å; L250-Y266 HydrophobicContact CD1-CE1 3.75Å; Y254-Y266 AromaticContact CD2-CD2 3.79Å; Y254-Y266 HydrophobicContact CD2-CD2 3.79Å; Y254-Y266 AromaticContact CD2-CE2 3.59Å; Y254-Y266 HydrophobicContact CD2-CE2 3.59Å; Y254-Y266 HydrophobicContact CE2-CD2 4.14Å; Y254-Y266 AromaticContact CE2-CE2 3.45Å; Y254-Y266 HydrophobicContact CE2-CE2 3.45Å; Y254-Y266 VanDerWaalsContact CE2-CE2 3.45Å; R262-Y266 WeakPolarHBondContact O-CD2 3.22Å; R262-Y266 PolarHBondContact O-N 2.74Å; A263-Y266 PolarHBondContact O-N 3.42Å; Y266-K268 VanDerWaalsContact C-N 3.3Å; Y266-K268 PolarHBondContact O-N 3.15Å; Y266-A269 PolarHBondContact O-N 3.08Å; Y266-A269 VanDerWaalsContact O-N 3.15Å; Y266-V270 WeakPolarHBondContact O-CB 3.39Å; Y266-V270 WeakPolarHBondContact O-CG2 3.1Å; Y266-V270 PolarHBondContact O-N 3.25Å; Y266-M296 HydrophobicContact CD1-CE 3.58Å; Y266-M296 HydrophobicContact CD1-SD 3.87Å; Y266-M296 HydrophobicContact CE1-CE 3.77Å; Y266-M296 HydrophobicContact CE1-SD 3.84Å; Y266-M296 HydrophobicContact CG-CE 4.07Å; Y266-K299 HydrophobicContact CE1-CD 4.23Å
267	S	85.4	Confident	86	Confident	56 Å²	56	59.5 Å²	59.5	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-38.9	176.9	-56.3	0	0	0	0	112.8	A263 S271	A263-S267 PolarHBondContact O-N 2.97Å; A263-S267 PolarHBondContact O-OG 2.83Å; A263-S267 VanDerWaalsContact O-OG 3.1Å; S267-S271 VanDerWaalsContact O-CB 3.29Å; S267-S271 WeakPolarHBondContact O-CB 3.29Å; S267-S271 PolarHBondContact O-N 3.43Å
268	K	83.5	Confident	85.9	Confident	104 Å²	104	60 Å²	60	45%	0.452	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-44.9	174.2	-81.4	179	171.7	-171.2	0	112.5	L264 G265 Y266 S271 A272	L264-K268 HydrophobicContact CD1-CD 4.48Å; L264-K268 HydrophobicContact CD1-CG 4.31Å; L264-K268 HydrophobicContact CG-CD 4.43Å; L264-K268 WeakPolarHBondContact O-CB 3.21Å; L264-K268 VanDerWaalsContact O-CG 3.31Å; L264-K268 WeakPolarHBondContact O-CG 3.17Å; L264-K268 PolarHBondContact O-N 3.46Å; G265-K268 PolarHBondContact O-N 3.14Å; Y266-K268 VanDerWaalsContact C-N 3.3Å; Y266-K268 PolarHBondContact O-N 3.15Å; K268-S271 PolarHBondContact O-N 2.61Å; K268-A272 WeakPolarHBondContact O-CB 3Å; K268-A272 PolarHBondContact O-N 3.33Å
269	A	88.3	Confident	86	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-47.1	177.2	0	0	0	0	0	111.3	G265 Y266 S271 A272 L273 I292 M296	G265-A269 PolarHBondContact O-N 2.81Å; G265-A269 VanDerWaalsContact O-N 3.13Å; Y266-A269 PolarHBondContact O-N 3.08Å; Y266-A269 VanDerWaalsContact O-N 3.15Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 2.99Å; A269-A272 PolarHBondContact O-N 2.93Å; A269-L273 WeakPolarHBondContact O-CB 3.3Å; A269-L273 WeakPolarHBondContact O-CG 3.23Å; A269-L273 PolarHBondContact O-N 3.47Å; A269-I292 HydrophobicContact CB-CG1 4.38Å; A269-M296 HydrophobicContact CB-CE 3.79Å; A269-M296 HydrophobicContact CB-CG 3.65Å; A269-M296 HydrophobicContact CB-SD 3.87Å
270	V	89.9	Confident	86.1	Confident	8 Å²	8	59.4 Å²	59.4	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-54.1	-48.6	173	165.5	0	0	0	0	111.4	L247 E248 Y266 A272 L273 K274	L247-V270 HydrophobicContact CB-CG2 3.6Å; E248-V270 HydrophobicContact CG-CB 4.4Å; E248-V270 HydrophobicContact CG-CG1 3.68Å; E248-V270 HydrophobicContact CG-CG2 3.84Å; E248-V270 WeakPolarHBondContact OE1-CG1 3.39Å; Y266-V270 WeakPolarHBondContact O-CB 3.39Å; Y266-V270 WeakPolarHBondContact O-CG2 3.1Å; Y266-V270 PolarHBondContact O-N 3.25Å; V270-A272 PolarHBondContact O-N 3.16Å; V270-L273 PolarHBondContact O-N 2.91Å; V270-K274 HydrophobicContact CG1-CD 4.33Å; V270-K274 WeakPolarHBondContact O-CG 3.45Å; V270-K274 PolarHBondContact O-N 3.36Å
271	S	83.6	Confident	86.1	Confident	17 Å²	17	54.5 Å²	54.5	12%	0.119	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-45.7	179.8	-161.9	0	0	0	0	111.6	S267 K268 A269 K274 S275	S267-S271 VanDerWaalsContact O-CB 3.29Å; S267-S271 WeakPolarHBondContact O-CB 3.29Å; S267-S271 PolarHBondContact O-N 3.43Å; K268-S271 PolarHBondContact O-N 2.61Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 2.99Å; S271-K274 PolarHBondContact O-N 3.45Å; S271-S275 PolarHBondContact O-N 3.07Å; S271-S275 VanDerWaalsContact O-N 3.1Å; S271-S275 PolarHBondContact O-OG 3.37Å
272	A	84.4	Confident	86.3	Confident	14 Å²	14	45.9 Å²	45.9	12%	0.116	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.6	0	0	0	0	0	112.8	K268 A269 V270 S275 Y276 I289	K268-A272 WeakPolarHBondContact O-CB 3Å; K268-A272 PolarHBondContact O-N 3.33Å; A269-A272 PolarHBondContact O-N 2.93Å; V270-A272 PolarHBondContact O-N 3.16Å; A272-S275 WeakPolarHBondContact CA-OG 3.41Å; A272-S275 CarbonylContact O-C 3.56Å; A272-S275 PolarHBondContact O-N 2.95Å; A272-S275 PolarHBondContact O-OG 3.46Å; A272-Y276 PolarHBondContact O-N 2.82Å; A272-Y276 VanDerWaalsContact O-N 3.07Å; A272-I289 HydrophobicContact CB-CG2 3.81Å
273	L	88.4	Confident	86.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-41.7	176.4	-73	169.1	0	0	0	112.6	N240 I243 T244 L247 A269 V270 S275 Y276 I280 I292	N240-L273 HydrophobicContact CB-CB 4.24Å; N240-L273 HydrophobicContact CB-CD2 4.37Å; N240-L273 PolarHBondContact ND2-O 2.99Å; N240-L273 VanDerWaalsContact ND2-O 3.16Å; I243-L273 HydrophobicContact CG2-CD1 3.65Å; T244-L273 HydrophobicContact CG2-CB 3.58Å; T244-L273 HydrophobicContact CG2-CD1 4.19Å; L247-L273 HydrophobicContact CD1-CD1 3.54Å; A269-L273 WeakPolarHBondContact O-CB 3.3Å; A269-L273 WeakPolarHBondContact O-CG 3.23Å; A269-L273 PolarHBondContact O-N 3.47Å; V270-L273 PolarHBondContact O-N 2.91Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.03Å; L273-Y276 PolarHBondContact O-N 3.17Å; L273-I280 HydrophobicContact CD2-CD1 3.27Å; L273-I292 HydrophobicContact CD2-CD1 3.67Å; L273-I292 HydrophobicContact CG-CD1 3.87Å
274	K	86.9	Confident	86.6	Confident	71 Å²	71	48.2 Å²	48.2	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-34.5	174.5	-72.9	-169.5	-179.7	-177.4	0	112.2	T244 E248 V270 S271 Y276	T244-K274 HydrophobicContact CG2-CG 3.88Å; E248-K274 WeakPolarHBondContact OE1-CE 3.29Å; E248-K274 IonicContact OE1-NZ 3.43Å; E248-K274 PolarHBondContact OE1-NZ 3.17Å; E248-K274 IonicContact OE2-NZ 3.63Å; V270-K274 HydrophobicContact CG1-CD 4.33Å; V270-K274 WeakPolarHBondContact O-CG 3.45Å; V270-K274 PolarHBondContact O-N 3.36Å; S271-K274 PolarHBondContact O-N 3.45Å; K274-Y276 VanDerWaalsContact C-N 3.34Å
275	S	81.3	Confident	87	Confident	48 Å²	48	47.7 Å²	47.7	34%	0.336	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3	174.8	59.4	0	0	0	0	114.5	S271 A272 L273 H277	S271-S275 PolarHBondContact O-N 3.07Å; S271-S275 VanDerWaalsContact O-N 3.1Å; S271-S275 PolarHBondContact O-OG 3.37Å; A272-S275 WeakPolarHBondContact CA-OG 3.41Å; A272-S275 CarbonylContact O-C 3.56Å; A272-S275 PolarHBondContact O-N 2.95Å; A272-S275 PolarHBondContact O-OG 3.46Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.03Å; S275-H277 PolarHBondContact O-N 2.71Å
276	Y	86.9	Confident	87.3	Confident	41 Å²	41	46.3 Å²	46.3	16%	0.161	24%	0.241	C	C	.	.			trans	-79.9	126.1	-176	-166	-119.3	0	0	0	110.9	H239 A272 L273 K274 K278 I280 E285 I289	H239-Y276 PolarHBondContact ND1-O 3.28Å; A272-Y276 PolarHBondContact O-N 2.82Å; A272-Y276 VanDerWaalsContact O-N 3.07Å; L273-Y276 PolarHBondContact O-N 3.17Å; K274-Y276 VanDerWaalsContact C-N 3.34Å; Y276-K278 HydrophobicContact CD1-CG 4.26Å; Y276-K278 VanDerWaalsContact CD1-O 3.22Å; Y276-K278 WeakPolarHBondContact CD1-O 3.28Å; Y276-K278 HydrophobicContact CE1-CG 3.69Å; Y276-K278 PolarHBondContact O-N 2.82Å; Y276-K278 VanDerWaalsContact OH-CE 3.24Å; Y276-K278 WeakPolarHBondContact OH-CE 2.76Å; Y276-I280 HydrophobicContact CD1-CD1 4.46Å; Y276-I280 HydrophobicContact CD1-CG1 3.76Å; Y276-I280 HydrophobicContact CE1-CG1 3.88Å; Y276-E285 HydrophobicContact CE1-CG 4.25Å; Y276-E285 PolarHBondContact OH-OE1 3.47Å; Y276-I289 HydrophobicContact CD1-CD1 3.78Å; Y276-I289 HydrophobicContact CD2-CD1 3.77Å; Y276-I289 HydrophobicContact CD2-CG1 3.87Å; Y276-I289 HydrophobicContact CE1-CD1 3.98Å; Y276-I289 HydrophobicContact CE2-CD1 3.98Å; Y276-I289 HydrophobicContact CE2-CG1 3.86Å; Y276-I289 HydrophobicContact CG-CD1 3.69Å; Y276-I289 HydrophobicContact CG-CG1 4.32Å
277	H	84.3	Confident	87.3	Confident	120 Å²	120	47.4 Å²	47.4	56%	0.556	25%	0.251	S	S	*	.	S	Bend	trans	-73.1	8.1	-162.5	69.4	78.4	0	0	0	115.6	H239 S275	H239-H277 VanDerWaalsContact CE1-C 3.49Å; H239-H277 PolarHBondContact CE1-O 3.01Å; S275-H277 PolarHBondContact O-N 2.71Å
278	K	87.3	Confident	87.5	Confident	71 Å²	71	53 Å²	53	31%	0.309	27%	0.268	S	S	.	.	S	Bend	trans	-164.3	170.2	178.7	60.6	169.8	-175	152.3	0	110.4	H239 N240 Y276 E285	H239-K278 PolarHBondContact ND1-N 2.68Å; N240-K278 PolarHBondContact ND2-O 2.87Å; Y276-K278 HydrophobicContact CD1-CG 4.26Å; Y276-K278 VanDerWaalsContact CD1-O 3.22Å; Y276-K278 WeakPolarHBondContact CD1-O 3.28Å; Y276-K278 HydrophobicContact CE1-CG 3.69Å; Y276-K278 PolarHBondContact O-N 2.82Å; Y276-K278 VanDerWaalsContact OH-CE 3.24Å; Y276-K278 WeakPolarHBondContact OH-CE 2.76Å; K278-E285 WeakPolarHBondContact CE-OE1 3.26Å; K278-E285 IonicContact NZ-OE1 3.59Å; K278-E285 PolarHBondContact NZ-OE1 3.31Å; K278-E285 IonicContact NZ-OE2 2.83Å
279	P	88.6	Confident	87.7	Confident	64 Å²	64	48.9 Å²	48.9	42%	0.416	25%	0.251	S	S	.	.			trans	-63.1	143.1	166.9	-18.3	31.3	0	0	0	110.8	H239 N240	H239-P279 HydrophobicContact CB-CG 4.02Å; N240-P279 WeakPolarHBondContact OD1-CA 3.2Å
280	I	89	Confident	87.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.281	C	S	.	.			trans	-75.3	139.7	168.3	-67.9	173.6	0	0	0	109.7	N240 L273 Y276 E285 A286 I289 V300 M304	N240-I280 PolarHBondContact OD1-N 3.16Å; L273-I280 HydrophobicContact CD2-CD1 3.27Å; Y276-I280 HydrophobicContact CD1-CD1 4.46Å; Y276-I280 HydrophobicContact CD1-CG1 3.76Å; Y276-I280 HydrophobicContact CE1-CG1 3.88Å; I280-E285 WeakPolarHBondContact CA-OE2 3.39Å; I280-A286 HydrophobicContact CD1-CB 4.44Å; I280-A286 HydrophobicContact CG2-CB 4.2Å; I280-I289 HydrophobicContact CD1-CD1 3.45Å; I280-I289 VanDerWaalsContact CD1-CD1 3.45Å; I280-I289 HydrophobicContact CG1-CD1 3.94Å; I280-V300 HydrophobicContact CD1-CG1 4.13Å; I280-V300 HydrophobicContact CG2-CG1 4.1Å; I280-M304 WeakPolarHBondContact O-CE 3.37Å
281	T	85.1	Confident	86.7	Confident	102 Å²	102	57.4 Å²	57.4	63%	0.626	30%	0.304	S	S	*	.			trans	-124.9	-7.7	177.6	64.2	0	0	0	0	114.8	E285	T281-E285 PolarHBondContact N-OE2 2.57Å; T281-E285 PolarHBondContact OG1-OE2 3.48Å
282	S	85.8	Confident	86.9	Confident	35 Å²	35	57.1 Å²	57.1	25%	0.245	30%	0.301	C	S	.	.			trans	-151.7	160.7	-175.3	56.1	0	0	0	0	114.3	E285 A286	S282-E285 PolarHBondContact O-N 2.85Å; S282-E285 WeakPolarHBondContact OG-CB 2.98Å; S282-A286 PolarHBondContact O-N 3.07Å
283	Y	90.3	Very high	87	Confident	64 Å²	64	58.4 Å²	58.4	25%	0.251	32%	0.315	S	S	.	.	H	α-helix	trans	-66.8	-40.6	179	-176.7	-100.7	0	0	0	112.4	E285 A286 C287 K294 A297 D298 M301	Y283-E285 VanDerWaalsContact C-N 3.26Å; Y283-E285 PolarHBondContact O-N 2.8Å; Y283-A286 PolarHBondContact O-N 3.24Å; Y283-C287 VanDerWaalsContact CE1-SG 3.58Å; Y283-C287 WeakPolarHBondContact O-CB 3.19Å; Y283-C287 PolarHBondContact O-N 3.35Å; Y283-C287 PolarHBondContact O-SG 2.93Å; Y283-K294 WeakPolarHBondContact OH-CA 3.23Å; Y283-K294 WeakPolarHBondContact OH-CB 3.22Å; Y283-A297 HydrophobicContact CD2-CB 3.79Å; Y283-A297 HydrophobicContact CE2-CB 3.55Å; Y283-D298 WeakPolarHBondContact CE2-OD1 3.18Å; Y283-D298 PolarHBondContact OH-OD1 3.09Å; Y283-M301 HydrophobicContact CD2-CG 3.8Å; Y283-M301 HydrophobicContact CG-CG 4.44Å
284	E	92.1	Very high	87.2	Confident	111 Å²	111	65.7 Å²	65.7	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-66.4	-33	-179.8	-64.1	61.8	-134.3	0	0	110.8	K288	E284-K288 WeakPolarHBondContact O-CD 3.43Å; E284-K288 VanDerWaalsContact O-CE 3.29Å; E284-K288 WeakPolarHBondContact O-CE 3.02Å; E284-K288 WeakPolarHBondContact O-CG 3.45Å; E284-K288 PolarHBondContact O-N 2.98Å
285	E	90.8	Very high	87.4	Confident	25 Å²	25	70.6 Å²	70.6	12%	0.117	37%	0.368	C	S	.	.	H	α-helix	trans	-71.6	-49.7	172.5	177.4	163.4	-95.2	0	0	111.7	Y276 K278 I280 T281 S282 Y283 C287 K288	Y276-E285 HydrophobicContact CE1-CG 4.25Å; Y276-E285 PolarHBondContact OH-OE1 3.47Å; K278-E285 WeakPolarHBondContact CE-OE1 3.26Å; K278-E285 IonicContact NZ-OE1 3.59Å; K278-E285 PolarHBondContact NZ-OE1 3.31Å; K278-E285 IonicContact NZ-OE2 2.83Å; I280-E285 WeakPolarHBondContact CA-OE2 3.39Å; T281-E285 PolarHBondContact N-OE2 2.57Å; T281-E285 PolarHBondContact OG1-OE2 3.48Å; S282-E285 PolarHBondContact O-N 2.85Å; S282-E285 WeakPolarHBondContact OG-CB 2.98Å; Y283-E285 VanDerWaalsContact C-N 3.26Å; Y283-E285 PolarHBondContact O-N 2.8Å; E285-C287 PolarHBondContact O-N 2.85Å; E285-K288 PolarHBondContact O-N 2.94Å
286	A	90	Very high	88	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-55.1	-40.5	174.8	0	0	0	0	0	111.7	I280 S282 Y283 K288 I289 I292 A297 V300	I280-A286 HydrophobicContact CD1-CB 4.44Å; I280-A286 HydrophobicContact CG2-CB 4.2Å; S282-A286 PolarHBondContact O-N 3.07Å; Y283-A286 PolarHBondContact O-N 3.24Å; A286-K288 VanDerWaalsContact C-N 3.3Å; A286-K288 PolarHBondContact O-N 3.48Å; A286-I289 PolarHBondContact O-N 3.08Å; A286-I292 VanDerWaalsContact O-CB 3.32Å; A286-I292 WeakPolarHBondContact O-CB 3.31Å; A286-I292 VanDerWaalsContact O-CG2 3.27Å; A286-I292 WeakPolarHBondContact O-CG2 3.34Å; A286-A297 HydrophobicContact CB-CB 3.75Å; A286-V300 HydrophobicContact CB-CB 4.48Å; A286-V300 HydrophobicContact CB-CG1 4.39Å
287	C	90.8	Very high	88.3	Confident	44 Å²	44	67.6 Å²	67.6	30%	0.297	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.7	176.7	-71.8	0	0	0	0	115.1	Y283 E285 A297	Y283-C287 VanDerWaalsContact CE1-SG 3.58Å; Y283-C287 WeakPolarHBondContact O-CB 3.19Å; Y283-C287 PolarHBondContact O-N 3.35Å; Y283-C287 PolarHBondContact O-SG 2.93Å; E285-C287 PolarHBondContact O-N 2.85Å; C287-A297 WeakPolarHBondContact SG-CB 3.11Å
288	K	90.8	Very high	88.8	Confident	172 Å²	172	65.2 Å²	65.2	75%	0.748	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.8	175.8	-73.1	161.6	-165.7	170.7	0	112.8	E284 E285 A286 Q290	E284-K288 WeakPolarHBondContact O-CD 3.43Å; E284-K288 VanDerWaalsContact O-CE 3.29Å; E284-K288 WeakPolarHBondContact O-CE 3.02Å; E284-K288 WeakPolarHBondContact O-CG 3.45Å; E284-K288 PolarHBondContact O-N 2.98Å; E285-K288 PolarHBondContact O-N 2.94Å; A286-K288 VanDerWaalsContact C-N 3.3Å; A286-K288 PolarHBondContact O-N 3.48Å; K288-Q290 PolarHBondContact O-N 3.36Å
289	I	86.6	Confident	89.2	Confident	18 Å²	18	64.2 Å²	64.2	9%	0.092	34%	0.338	C	S	.	.	S	Bend	trans	-76.9	120.8	-178.8	-64.5	171	0	0	0	110.1	A272 Y276 I280 A286 G291 I292	A272-I289 HydrophobicContact CB-CG2 3.81Å; Y276-I289 HydrophobicContact CD1-CD1 3.78Å; Y276-I289 HydrophobicContact CD2-CD1 3.77Å; Y276-I289 HydrophobicContact CD2-CG1 3.87Å; Y276-I289 HydrophobicContact CE1-CD1 3.98Å; Y276-I289 HydrophobicContact CE2-CD1 3.98Å; Y276-I289 HydrophobicContact CE2-CG1 3.86Å; Y276-I289 HydrophobicContact CG-CD1 3.69Å; Y276-I289 HydrophobicContact CG-CG1 4.32Å; I280-I289 HydrophobicContact CD1-CD1 3.45Å; I280-I289 VanDerWaalsContact CD1-CD1 3.45Å; I280-I289 HydrophobicContact CG1-CD1 3.94Å; A286-I289 PolarHBondContact O-N 3.08Å; I289-G291 PolarHBondContact O-N 3.23Å; I289-I292 HydrophobicContact CB-CB 4.36Å; I289-I292 HydrophobicContact CB-CD1 3.91Å; I289-I292 HydrophobicContact CB-CG1 4.16Å; I289-I292 HydrophobicContact CD1-CD1 4.11Å; I289-I292 HydrophobicContact CG2-CD1 3.79Å; I289-I292 HydrophobicContact CG2-CG1 3.96Å; I289-I292 PolarHBondContact O-N 3.49Å
290	Q	80	Confident	89.3	Confident	136 Å²	136	61.1 Å²	61.1	64%	0.636	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	112.3	-178.9	-171.1	-171.3	-83.3	0	0	111.4	K225 K288	K225-Q290 PolarHBondContact O-NE2 3.01Å; K288-Q290 PolarHBondContact O-N 3.36Å
291	G	77.7	Confident	89.4	Confident	52 Å²	52	62.7 Å²	62.7	54%	0.536	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	111	-12.6	-178.2	0	0	0	0	0	114.1	I289	I289-G291 PolarHBondContact O-N 3.23Å
292	I	88.1	Confident	89.7	Confident	11 Å²	11	59.4 Å²	59.4	6%	0.056	30%	0.303	C	S	.	.			trans	-100.1	128.7	168.7	-53.6	-174.9	0	0	0	107.6	A269 L273 A286 I289 M296 A297	A269-I292 HydrophobicContact CB-CG1 4.38Å; L273-I292 HydrophobicContact CD2-CD1 3.67Å; L273-I292 HydrophobicContact CG-CD1 3.87Å; A286-I292 VanDerWaalsContact O-CB 3.32Å; A286-I292 WeakPolarHBondContact O-CB 3.31Å; A286-I292 VanDerWaalsContact O-CG2 3.27Å; A286-I292 WeakPolarHBondContact O-CG2 3.34Å; I289-I292 HydrophobicContact CB-CB 4.36Å; I289-I292 HydrophobicContact CB-CD1 3.91Å; I289-I292 HydrophobicContact CB-CG1 4.16Å; I289-I292 HydrophobicContact CD1-CD1 4.11Å; I289-I292 HydrophobicContact CG2-CD1 3.79Å; I289-I292 HydrophobicContact CG2-CG1 3.96Å; I289-I292 PolarHBondContact O-N 3.49Å; I292-M296 HydrophobicContact CG2-CB 3.93Å; I292-M296 HydrophobicContact CG2-CG 4.04Å; I292-A297 HydrophobicContact CG2-CB 4.16Å
293	G	86.8	Confident	89.8	Confident	40 Å²	40	57.9 Å²	57.9	41%	0.412	29%	0.293	S	S	.	.			trans	-122.4	172.3	169.8	0	0	0	0	0	110.2	K295 M296 A297	G293-K295 PolarHBondContact O-N 3.39Å; G293-K295 VanDerWaalsContact O-N 3.12Å; G293-M296 WeakPolarHBondContact O-CA 3.33Å; G293-M296 WeakPolarHBondContact O-CB 3.46Å; G293-M296 PolarHBondContact O-N 3.14Å; G293-A297 PolarHBondContact O-N 2.97Å
294	K	91.4	Very high	89.4	Confident	154 Å²	154	58.4 Å²	58.4	67%	0.67	30%	0.298	S	S	*	.	H	α-helix	trans	-34.7	-61.8	-175.7	-63.7	-168.8	179	-170.2	0	113.8	Y283 M296 A297 D298	Y283-K294 WeakPolarHBondContact OH-CA 3.23Å; Y283-K294 WeakPolarHBondContact OH-CB 3.22Å; K294-M296 PolarHBondContact O-N 3.24Å; K294-A297 CarbonylContact O-C 3.46Å; K294-A297 WeakPolarHBondContact O-CA 3.36Å; K294-A297 WeakPolarHBondContact O-CB 3.43Å; K294-A297 PolarHBondContact O-N 3.23Å; K294-D298 PolarHBondContact O-N 2.68Å
295	K	92.2	Very high	88.8	Confident	173 Å²	173	60.3 Å²	60.3	75%	0.752	31%	0.307	S	S	*	.	H	α-helix	trans	-55.1	-15.3	179.1	-71.2	-174.5	178.7	177.9	0	116.9	G293 D298 K299	G293-K295 PolarHBondContact O-N 3.39Å; G293-K295 VanDerWaalsContact O-N 3.12Å; K295-D298 VanDerWaalsContact CA-OD2 3.26Å; K295-D298 WeakPolarHBondContact CA-OD2 3.44Å; K295-K299 PolarHBondContact O-NZ 3.06Å
296	M	93.8	Very high	88.4	Confident	26 Å²	26	62.5 Å²	62.5	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-101.7	-41.1	173.1	-170.5	67	71.7	0	0	111.2	L247 Y266 A269 I292 G293 K294 D298 K299 V300	L247-M296 HydrophobicContact CD1-SD 4.23Å; L247-M296 HydrophobicContact CD2-SD 4.21Å; Y266-M296 HydrophobicContact CD1-CE 3.58Å; Y266-M296 HydrophobicContact CD1-SD 3.87Å; Y266-M296 HydrophobicContact CE1-CE 3.77Å; Y266-M296 HydrophobicContact CE1-SD 3.84Å; Y266-M296 HydrophobicContact CG-CE 4.07Å; A269-M296 HydrophobicContact CB-CE 3.79Å; A269-M296 HydrophobicContact CB-CG 3.65Å; A269-M296 HydrophobicContact CB-SD 3.87Å; I292-M296 HydrophobicContact CG2-CB 3.93Å; I292-M296 HydrophobicContact CG2-CG 4.04Å; G293-M296 WeakPolarHBondContact O-CA 3.33Å; G293-M296 WeakPolarHBondContact O-CB 3.46Å; G293-M296 PolarHBondContact O-N 3.14Å; K294-M296 PolarHBondContact O-N 3.24Å; M296-D298 PolarHBondContact O-N 2.93Å; M296-K299 WeakPolarHBondContact O-CA 3.47Å; M296-K299 WeakPolarHBondContact O-CB 3.46Å; M296-K299 PolarHBondContact O-N 3.33Å; M296-V300 PolarHBondContact O-N 3.11Å
297	A	93.3	Very high	87.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-56.3	-38.9	171	0	0	0	0	0	111.8	Y283 A286 C287 I292 G293 K294 K299 V300 M301	Y283-A297 HydrophobicContact CD2-CB 3.79Å; Y283-A297 HydrophobicContact CE2-CB 3.55Å; A286-A297 HydrophobicContact CB-CB 3.75Å; C287-A297 WeakPolarHBondContact SG-CB 3.11Å; I292-A297 HydrophobicContact CG2-CB 4.16Å; G293-A297 PolarHBondContact O-N 2.97Å; K294-A297 CarbonylContact O-C 3.46Å; K294-A297 WeakPolarHBondContact O-CA 3.36Å; K294-A297 WeakPolarHBondContact O-CB 3.43Å; K294-A297 PolarHBondContact O-N 3.23Å; A297-K299 PolarHBondContact O-N 2.7Å; A297-K299 VanDerWaalsContact O-N 3.1Å; A297-V300 PolarHBondContact O-N 3.07Å; A297-V300 VanDerWaalsContact O-N 3.13Å; A297-M301 WeakPolarHBondContact O-CG 3.23Å; A297-M301 PolarHBondContact O-N 3.28Å
298	D	95	Very high	87.5	Confident	71 Å²	71	66.1 Å²	66.1	38%	0.38	35%	0.35	S	S	.	.	H	α-helix	trans	-54	-32.8	173.6	-49.3	-22.4	0	0	0	111.8	Y283 K294 K295 M296 E302	Y283-D298 WeakPolarHBondContact CE2-OD1 3.18Å; Y283-D298 PolarHBondContact OH-OD1 3.09Å; K294-D298 PolarHBondContact O-N 2.68Å; K295-D298 VanDerWaalsContact CA-OD2 3.26Å; K295-D298 WeakPolarHBondContact CA-OD2 3.44Å; M296-D298 PolarHBondContact O-N 2.93Å; D298-E302 PolarHBondContact O-N 3.09Å; D298-E302 VanDerWaalsContact O-N 3.07Å
299	K	95.1	Very high	87.4	Confident	49 Å²	49	58 Å²	58	21%	0.213	32%	0.315	C	S	.	.	H	α-helix	trans	-89.2	-30.8	-177.9	-64.5	168.4	179.9	49.7	0	112.5	Y266 K295 M296 A297 M301 I303 L309	Y266-K299 HydrophobicContact CE1-CD 4.23Å; K295-K299 PolarHBondContact O-NZ 3.06Å; M296-K299 WeakPolarHBondContact O-CA 3.47Å; M296-K299 WeakPolarHBondContact O-CB 3.46Å; M296-K299 PolarHBondContact O-N 3.33Å; A297-K299 PolarHBondContact O-N 2.7Å; A297-K299 VanDerWaalsContact O-N 3.1Å; K299-M301 VanDerWaalsContact C-N 3.31Å; K299-I303 WeakPolarHBondContact O-CD1 3.38Å; K299-I303 VanDerWaalsContact O-CG1 3.27Å; K299-I303 WeakPolarHBondContact O-CG1 3.17Å; K299-I303 PolarHBondContact O-N 3.44Å; K299-I303 VanDerWaalsContact O-N 3.09Å; K299-L309 HydrophobicContact CB-CD1 3.95Å; K299-L309 HydrophobicContact CB-CD2 4.49Å; K299-L309 HydrophobicContact CG-CD1 3.96Å
300	V	91.1	Very high	87.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-48.2	167.6	176.7	0	0	0	0	108.6	I243 I280 A286 M296 A297 I303 M304	I243-V300 HydrophobicContact CD1-CG1 3.89Å; I243-V300 HydrophobicContact CG1-CG1 4.35Å; I243-V300 HydrophobicContact CG2-CG1 4.37Å; I243-V300 HydrophobicContact CG2-CG2 4.09Å; I280-V300 HydrophobicContact CD1-CG1 4.13Å; I280-V300 HydrophobicContact CG2-CG1 4.1Å; A286-V300 HydrophobicContact CB-CB 4.48Å; A286-V300 HydrophobicContact CB-CG1 4.39Å; M296-V300 PolarHBondContact O-N 3.11Å; A297-V300 PolarHBondContact O-N 3.07Å; A297-V300 VanDerWaalsContact O-N 3.13Å; V300-I303 PolarHBondContact O-N 3.03Å; V300-M304 HydrophobicContact CG1-CG 4.41Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.44Å; V300-M304 PolarHBondContact O-N 3.18Å
301	M	91.9	Very high	87.8	Confident	33 Å²	33	62 Å²	62	16%	0.163	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-43.1	176.7	-62.3	-48.3	-60.5	0	0	112.7	Y283 A297 K299 I303 M304 E305	Y283-M301 HydrophobicContact CD2-CG 3.8Å; Y283-M301 HydrophobicContact CG-CG 4.44Å; A297-M301 WeakPolarHBondContact O-CG 3.23Å; A297-M301 PolarHBondContact O-N 3.28Å; K299-M301 VanDerWaalsContact C-N 3.31Å; M301-I303 PolarHBondContact O-N 3.02Å; M301-M304 PolarHBondContact O-N 3.34Å; M301-E305 WeakPolarHBondContact O-CB 3.43Å; M301-E305 VanDerWaalsContact O-CG 3.31Å; M301-E305 WeakPolarHBondContact O-CG 3.27Å; M301-E305 PolarHBondContact O-N 3.14Å
302	E	89.4	Confident	88.3	Confident	34 Å²	34	61 Å²	61	16%	0.159	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-38.9	173.9	-173.5	175.2	147.1	0	0	112.5	D298 S306 H308 L309 R310	D298-E302 PolarHBondContact O-N 3.09Å; D298-E302 VanDerWaalsContact O-N 3.07Å; E302-S306 WeakPolarHBondContact O-CB 3.36Å; E302-S306 PolarHBondContact O-N 3.06Å; E302-S306 VanDerWaalsContact O-N 3.09Å; E302-S306 PolarHBondContact O-OG 2.83Å; E302-H308 CarbonylContact C-O 3.55Å; E302-L309 HydrophobicContact CB-CD1 4.37Å; E302-L309 HydrophobicContact CG-CD1 4.29Å; E302-R310 VanDerWaalsContact CD-NE 3.29Å; E302-R310 WeakPolarHBondContact OE1-CB 3.12Å; E302-R310 WeakPolarHBondContact OE1-CG 3.24Å; E302-R310 IonicContact OE1-CZ 3.72Å; E302-R310 PolarHBondContact OE1-N 2.93Å; E302-R310 IonicContact OE1-NE 3.99Å; E302-R310 PolarHBondContact OE1-NE 2.81Å; E302-R310 IonicContact OE1-NH2 3.44Å; E302-R310 IonicContact OE2-CZ 3.76Å; E302-R310 IonicContact OE2-NE 3.87Å; E302-R310 PolarHBondContact OE2-NE 2.6Å; E302-R310 IonicContact OE2-NH2 3.72Å; E302-R310 PolarHBondContact OE2-NH2 3.44Å
303	I	89.5	Confident	88.1	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-72.5	-40.1	175.5	-63.1	159.3	0	0	0	112.1	I243 K246 L247 K299 V300 M301 G307 H308 L309	I243-I303 HydrophobicContact CG1-CB 4.48Å; I243-I303 HydrophobicContact CG1-CG2 4.12Å; I243-I303 HydrophobicContact CG2-CD1 3.99Å; K246-I303 HydrophobicContact CB-CD1 3.72Å; K246-I303 HydrophobicContact CB-CG1 4.28Å; K246-I303 HydrophobicContact CG-CD1 4.25Å; K246-I303 HydrophobicContact CG-CG1 4.38Å; K246-I303 HydrophobicContact CG-CG2 4.26Å; L247-I303 HydrophobicContact CD2-CD1 4.11Å; L247-I303 HydrophobicContact CG-CD1 4.19Å; K299-I303 WeakPolarHBondContact O-CD1 3.38Å; K299-I303 VanDerWaalsContact O-CG1 3.27Å; K299-I303 WeakPolarHBondContact O-CG1 3.17Å; K299-I303 PolarHBondContact O-N 3.44Å; K299-I303 VanDerWaalsContact O-N 3.09Å; V300-I303 PolarHBondContact O-N 3.03Å; M301-I303 PolarHBondContact O-N 3.02Å; I303-G307 WeakPolarHBondContact O-CA 3.32Å; I303-G307 PolarHBondContact O-N 2.85Å; I303-H308 VanDerWaalsContact CA-O 3.27Å; I303-H308 WeakPolarHBondContact CA-O 3.36Å; I303-H308 WeakPolarHBondContact CG1-O 3.18Å; I303-H308 PolarHBondContact N-O 2.59Å; I303-L309 HydrophobicContact CD1-CB 4.19Å; I303-L309 HydrophobicContact CD1-CD2 4.14Å; I303-L309 HydrophobicContact CG1-CB 3.79Å
304	M	82.2	Confident	88	Confident	74 Å²	74	69.7 Å²	69.7	37%	0.365	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.9	-71.2	-65.3	-64.2	0	0	112.1	H242 I243 I280 V300 M301	H242-M304 PolarHBondContact NE2-SD 3.28Å; H242-M304 VanDerWaalsContact NE2-SD 3.36Å; I243-M304 HydrophobicContact CD1-CG 4.45Å; I243-M304 HydrophobicContact CD1-SD 3.92Å; I243-M304 HydrophobicContact CG1-SD 4.36Å; I280-M304 WeakPolarHBondContact O-CE 3.37Å; V300-M304 HydrophobicContact CG1-CG 4.41Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.44Å; V300-M304 PolarHBondContact O-N 3.18Å; M301-M304 PolarHBondContact O-N 3.34Å
305	E	79.3	Confident	87.7	Confident	151 Å²	151	64.1 Å²	64.1	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-78.8	-35.7	-176.3	-69.6	165.2	-160.6	0	0	112.9	M301	M301-E305 WeakPolarHBondContact O-CB 3.43Å; M301-E305 VanDerWaalsContact O-CG 3.31Å; M301-E305 WeakPolarHBondContact O-CG 3.27Å; M301-E305 PolarHBondContact O-N 3.14Å
306	S	81.6	Confident	87.2	Confident	71 Å²	71	58.1 Å²	58.1	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-115.7	-6.9	-172.3	75.9	0	0	0	0	115.6	E302 H308	E302-S306 WeakPolarHBondContact O-CB 3.36Å; E302-S306 PolarHBondContact O-N 3.06Å; E302-S306 VanDerWaalsContact O-N 3.09Å; E302-S306 PolarHBondContact O-OG 2.83Å; S306-H308 PolarHBondContact O-N 3.43Å; S306-H308 PolarHBondContact OG-N 3.31Å; S306-H308 PolarHBondContact OG-O 3.48Å
307	G	78.5	Confident	86.9	Confident	48 Å²	48	65.2 Å²	65.2	50%	0.495	34%	0.337	S	S	.	.	S	Bend	trans	67.3	5.4	-169.3	0	0	0	0	0	114.2	K246 I303	K246-G307 VanDerWaalsContact CE-O 3.27Å; K246-G307 WeakPolarHBondContact CE-O 3.46Å; K246-G307 PolarHBondContact NZ-O 2.93Å; K246-G307 VanDerWaalsContact NZ-O 3.15Å; I303-G307 WeakPolarHBondContact O-CA 3.32Å; I303-G307 PolarHBondContact O-N 2.85Å
308	H	83.4	Confident	86.7	Confident	72 Å²	72	66.3 Å²	66.3	33%	0.333	35%	0.347	S	S	.	.	S	Bend	trans	-144.2	167.9	-167.3	-170.1	79.6	0	0	0	111.7	E302 I303 S306 D313	E302-H308 CarbonylContact C-O 3.55Å; I303-H308 VanDerWaalsContact CA-O 3.27Å; I303-H308 WeakPolarHBondContact CA-O 3.36Å; I303-H308 WeakPolarHBondContact CG1-O 3.18Å; I303-H308 PolarHBondContact N-O 2.59Å; S306-H308 PolarHBondContact O-N 3.43Å; S306-H308 PolarHBondContact OG-N 3.31Å; S306-H308 PolarHBondContact OG-O 3.48Å; H308-D313 IonicContact CD2-OD2 2.59Å; H308-D313 IonicContact NE2-OD1 2.71Å; H308-D313 PolarHBondContact NE2-OD1 3.43Å
309	L	87.8	Confident	86.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.332	C	S	.	.			trans	-135.7	103.1	173.8	177.9	58.2	0	0	0	108.6	L247 L250 K299 E302 I303 K311 I312	L247-L309 HydrophobicContact CD2-CD2 3.81Å; L250-L309 HydrophobicContact CD1-CD2 3.44Å; L250-L309 VanDerWaalsContact CD1-CD2 3.44Å; L250-L309 HydrophobicContact CD1-CG 4.33Å; L250-L309 HydrophobicContact CG-CD2 4.34Å; K299-L309 HydrophobicContact CB-CD1 3.95Å; K299-L309 HydrophobicContact CB-CD2 4.49Å; K299-L309 HydrophobicContact CG-CD1 3.96Å; E302-L309 HydrophobicContact CB-CD1 4.37Å; E302-L309 HydrophobicContact CG-CD1 4.29Å; I303-L309 HydrophobicContact CD1-CB 4.19Å; I303-L309 HydrophobicContact CD1-CD2 4.14Å; I303-L309 HydrophobicContact CG1-CB 3.79Å; L309-K311 HydrophobicContact CG-CB 4.35Å; L309-K311 PolarHBondContact O-N 3.34Å; L309-I312 HydrophobicContact CB-CD1 4.04Å; L309-I312 HydrophobicContact CB-CG1 4.28Å; L309-I312 WeakPolarHBondContact O-CB 3.37Å; L309-I312 WeakPolarHBondContact O-CG1 3.41Å; L309-I312 PolarHBondContact O-N 2.95Å
310	R	88.4	Confident	86.6	Confident	157 Å²	157	65.4 Å²	65.4	59%	0.592	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.7	-172.1	-64.1	166.7	-67.3	-174.4	-2.5	113.1	E302 I312 D313 H314	E302-R310 VanDerWaalsContact CD-NE 3.29Å; E302-R310 WeakPolarHBondContact OE1-CB 3.12Å; E302-R310 WeakPolarHBondContact OE1-CG 3.24Å; E302-R310 IonicContact OE1-CZ 3.72Å; E302-R310 PolarHBondContact OE1-N 2.93Å; E302-R310 IonicContact OE1-NE 3.99Å; E302-R310 PolarHBondContact OE1-NE 2.81Å; E302-R310 IonicContact OE1-NH2 3.44Å; E302-R310 IonicContact OE2-CZ 3.76Å; E302-R310 IonicContact OE2-NE 3.87Å; E302-R310 PolarHBondContact OE2-NE 2.6Å; E302-R310 IonicContact OE2-NH2 3.72Å; E302-R310 PolarHBondContact OE2-NH2 3.44Å; R310-I312 PolarHBondContact O-N 2.98Å; R310-D313 PolarHBondContact O-N 3.38Å; R310-H314 PolarHBondContact O-N 3.5Å; R310-H314 PolarHBondContact O-ND1 3.37Å
311	K	87.6	Confident	86.8	Confident	83 Å²	83	66.3 Å²	66.3	36%	0.361	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.9	176.8	-168.5	49.8	-174.3	154.2	0	113.7	L250 L309 H314	L250-K311 HydrophobicContact CD1-CB 4.27Å; L250-K311 HydrophobicContact CD1-CG 4.27Å; L250-K311 HydrophobicContact CD2-CG 4.35Å; L309-K311 HydrophobicContact CG-CB 4.35Å; L309-K311 PolarHBondContact O-N 3.34Å; K311-H314 HydrophobicContact CD-CB 4.35Å; K311-H314 PolarHBondContact NZ-O 3.29Å; K311-H314 CarbonylContact O-C 3.58Å
312	I	88.3	Confident	87	Confident	31 Å²	31	64.9 Å²	64.9	16%	0.159	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-45.3	172.8	-61.6	173.7	0	0	0	110.3	K246 V249 L250 L309 R310 H314 L315	K246-I312 HydrophobicContact CB-CD1 3.92Å; K246-I312 HydrophobicContact CD-CD1 3.99Å; K246-I312 WeakPolarHBondContact O-CD1 3.47Å; V249-I312 HydrophobicContact CG1-CG2 4.04Å; L250-I312 HydrophobicContact CD2-CG1 3.96Å; L250-I312 HydrophobicContact CG-CG1 4.1Å; L309-I312 HydrophobicContact CB-CD1 4.04Å; L309-I312 HydrophobicContact CB-CG1 4.28Å; L309-I312 WeakPolarHBondContact O-CB 3.37Å; L309-I312 WeakPolarHBondContact O-CG1 3.41Å; L309-I312 PolarHBondContact O-N 2.95Å; R310-I312 PolarHBondContact O-N 2.98Å; I312-H314 PolarHBondContact O-N 3.44Å; I312-H314 VanDerWaalsContact O-N 3.17Å; I312-L315 HydrophobicContact CG2-CD1 4.41Å; I312-L315 VanDerWaalsContact O-CB 3.29Å; I312-L315 WeakPolarHBondContact O-CB 3.19Å; I312-L315 VanDerWaalsContact O-CG 3.29Å; I312-L315 WeakPolarHBondContact O-CG 3.44Å; I312-L315 PolarHBondContact O-N 2.79Å
313	D	83.4	Confident	87.3	Confident	99 Å²	99	65.8 Å²	65.8	53%	0.529	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.7	175.5	-45.6	-43.7	0	0	0	112.2	H308 R310 L315	H308-D313 IonicContact CD2-OD2 2.59Å; H308-D313 IonicContact NE2-OD1 2.71Å; H308-D313 PolarHBondContact NE2-OD1 3.43Å; R310-D313 PolarHBondContact O-N 3.38Å; D313-L315 VanDerWaalsContact C-N 3.32Å
314	H	85.7	Confident	87.7	Confident	134 Å²	134	67.8 Å²	67.8	62%	0.62	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	27.9	177.6	-60.4	75.2	0	0	0	112.7	R310 K311 I312	R310-H314 PolarHBondContact O-N 3.5Å; R310-H314 PolarHBondContact O-ND1 3.37Å; K311-H314 HydrophobicContact CD-CB 4.35Å; K311-H314 PolarHBondContact NZ-O 3.29Å; K311-H314 CarbonylContact O-C 3.58Å; I312-H314 PolarHBondContact O-N 3.44Å; I312-H314 VanDerWaalsContact O-N 3.17Å
315	L	84.6	Confident	88.5	Confident	36 Å²	36	64.3 Å²	64.3	19%	0.188	35%	0.345	C	S	.	.	S	Bend	trans	-84.2	108.7	159.1	-67.6	178.9	0	0	0	108.2	V249 L250 A253 I312 D313 V319	V249-L315 HydrophobicContact CG1-CD1 4Å; L250-L315 HydrophobicContact CD2-CD1 4.18Å; L250-L315 HydrophobicContact CD2-CD2 3.9Å; L250-L315 HydrophobicContact CD2-CG 4.18Å; A253-L315 HydrophobicContact CB-CD1 3.77Å; A253-L315 HydrophobicContact CB-CD2 3.65Å; A253-L315 HydrophobicContact CB-CG 4.35Å; I312-L315 HydrophobicContact CG2-CD1 4.41Å; I312-L315 VanDerWaalsContact O-CB 3.29Å; I312-L315 WeakPolarHBondContact O-CB 3.19Å; I312-L315 VanDerWaalsContact O-CG 3.29Å; I312-L315 WeakPolarHBondContact O-CG 3.44Å; I312-L315 PolarHBondContact O-N 2.79Å; D313-L315 VanDerWaalsContact C-N 3.32Å; L315-V319 HydrophobicContact CB-CG2 4.3Å; L315-V319 HydrophobicContact CD2-CG2 4.47Å
316	G	82.1	Confident	89.3	Confident	47 Å²	47	58.4 Å²	58.4	49%	0.485	32%	0.319	S	S	.	.			trans	-63.3	155	-178.3	0	0	0	0	0	113.2	A318 V319	G316-A318 PolarHBondContact O-N 3.05Å; G316-V319 PolarHBondContact O-N 3.31Å
317	E	86.6	Confident	90.1	Very high	175 Å²	175	57.1 Å²	57.1	82%	0.818	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-19.1	-175.7	-58.6	175.4	160.7	0	0	115.2	V319 P320	E317-V319 VanDerWaalsContact C-N 3.27Å; E317-V319 PolarHBondContact O-N 2.96Å; E317-P320 WeakPolarHBondContact O-CD 3.39Å
318	A	89.7	Confident	91	Very high	24 Å²	24	54.9 Å²	54.9	20%	0.198	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-28.1	172.2	0	0	0	0	0	113.7	G316 V321 L322 Y340	G316-A318 PolarHBondContact O-N 3.05Å; A318-V321 PolarHBondContact O-N 3.27Å; A318-L322 HydrophobicContact CB-CD1 3.93Å; A318-L322 HydrophobicContact CB-CG 4.37Å; A318-L322 WeakPolarHBondContact O-CB 3.29Å; A318-L322 WeakPolarHBondContact O-CG 3.44Å; A318-L322 PolarHBondContact O-N 3.1Å; A318-Y340 HydrophobicContact CB-CD1 4.29Å; A318-Y340 HydrophobicContact CB-CD2 4.36Å; A318-Y340 HydrophobicContact CB-CE1 3.71Å; A318-Y340 HydrophobicContact CB-CE2 3.8Å; A318-Y340 VanDerWaalsContact CB-CZ 3.44Å
319	V	92.4	Very high	91.6	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-49.7	-169.4	170.9	0	0	0	0	113.7	A253 Q257 L315 G316 E317 V321 L322 E323	A253-V319 HydrophobicContact CB-CG1 3.73Å; A253-V319 HydrophobicContact CB-CG2 4.4Å; Q257-V319 HydrophobicContact CG-CG2 4.26Å; L315-V319 HydrophobicContact CB-CG2 4.3Å; L315-V319 HydrophobicContact CD2-CG2 4.47Å; G316-V319 PolarHBondContact O-N 3.31Å; E317-V319 VanDerWaalsContact C-N 3.27Å; E317-V319 PolarHBondContact O-N 2.96Å; V319-V321 VanDerWaalsContact C-N 3.3Å; V319-V321 PolarHBondContact O-N 3.25Å; V319-L322 PolarHBondContact O-N 3.18Å; V319-E323 WeakPolarHBondContact O-CB 3.48Å; V319-E323 PolarHBondContact O-N 3.07Å
320	P	94.4	Very high	92	Very high	88 Å²	88	56.3 Å²	56.3	57%	0.571	30%	0.298	S	S	*	.	H	α-helix	trans	-63.1	-34.8	177	-23.8	35.5	0	0	0	113.4	E317 M324	E317-P320 WeakPolarHBondContact O-CD 3.39Å; P320-M324 WeakPolarHBondContact O-CB 3.42Å; P320-M324 PolarHBondContact O-N 3.48Å
321	V	96.4	Very high	92.4	Very high	20 Å²	20	49.1 Å²	49.1	12%	0.121	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-44.3	178.3	-175.4	0	0	0	0	111	A318 V319 E323 M324 F325 Y340	A318-V321 PolarHBondContact O-N 3.27Å; V319-V321 VanDerWaalsContact C-N 3.3Å; V319-V321 PolarHBondContact O-N 3.25Å; V321-E323 VanDerWaalsContact C-N 3.34Å; V321-M324 HydrophobicContact CG1-CE 4.38Å; V321-M324 PolarHBondContact O-N 3.33Å; V321-F325 HydrophobicContact CG1-CD2 3.98Å; V321-F325 HydrophobicContact CG1-CE1 4.17Å; V321-F325 HydrophobicContact CG1-CE2 3.55Å; V321-F325 HydrophobicContact CG1-CG 4.48Å; V321-F325 HydrophobicContact CG1-CZ 3.65Å; V321-F325 WeakPolarHBondContact O-CB 3.48Å; V321-F325 VanDerWaalsContact O-CG 3.26Å; V321-F325 WeakPolarHBondContact O-CG 3.45Å; V321-F325 PolarHBondContact O-N 2.87Å; V321-Y340 HydrophobicContact CB-CD2 3.94Å; V321-Y340 HydrophobicContact CB-CE2 3.92Å; V321-Y340 HydrophobicContact CG1-CD2 3.71Å; V321-Y340 HydrophobicContact CG1-CE2 4.05Å; V321-Y340 HydrophobicContact CG2-CE2 4.21Å
322	L	96.7	Very high	92.7	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-40.4	175.3	-71	170.6	0	0	0	111.4	H256 Q257 A318 V319 F325 T326 A336 Q337 Y340	H256-L322 HydrophobicContact CB-CB 4.43Å; Q257-L322 HydrophobicContact CG-CD1 4.32Å; A318-L322 HydrophobicContact CB-CD1 3.93Å; A318-L322 HydrophobicContact CB-CG 4.37Å; A318-L322 WeakPolarHBondContact O-CB 3.29Å; A318-L322 WeakPolarHBondContact O-CG 3.44Å; A318-L322 PolarHBondContact O-N 3.1Å; V319-L322 PolarHBondContact O-N 3.18Å; L322-F325 PolarHBondContact O-N 3.16Å; L322-T326 WeakPolarHBondContact O-CG2 3.41Å; L322-T326 PolarHBondContact O-N 3.32Å; L322-T326 PolarHBondContact O-OG1 3.48Å; L322-A336 HydrophobicContact CD2-CB 3.99Å; L322-Q337 HydrophobicContact CD2-CB 4.44Å; L322-Q337 HydrophobicContact CD2-CG 3.95Å; L322-Y340 HydrophobicContact CD2-CG 4.37Å
323	E	95.8	Very high	92.9	Very high	52 Å²	52	46.9 Å²	46.9	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-59.4	172.7	173.4	174.3	147.6	0	0	110.8	K252 H256 V319 V321 F325 T326 N327	K252-E323 VanDerWaalsContact CE-CD 3.41Å; K252-E323 WeakPolarHBondContact CE-OE1 3.45Å; K252-E323 WeakPolarHBondContact CE-OE2 3.49Å; K252-E323 IonicContact NZ-OE1 2.68Å; K252-E323 PolarHBondContact NZ-OE1 3.21Å; K252-E323 IonicContact NZ-OE2 2.7Å; K252-E323 PolarHBondContact NZ-OE2 3.34Å; H256-E323 HydrophobicContact CB-CB 4.37Å; H256-E323 IonicContact CD2-OE2 2.87Å; H256-E323 IonicContact NE2-OE2 3.74Å; V319-E323 WeakPolarHBondContact O-CB 3.48Å; V319-E323 PolarHBondContact O-N 3.07Å; V321-E323 VanDerWaalsContact C-N 3.34Å; E323-F325 PolarHBondContact O-N 3.38Å; E323-T326 PolarHBondContact O-N 2.89Å; E323-T326 PolarHBondContact O-OG1 3.39Å; E323-N327 VanDerWaalsContact O-CG 3.23Å; E323-N327 PolarHBondContact O-N 2.92Å; E323-N327 PolarHBondContact O-OD1 3.41Å
324	M	97.6	Very high	93.5	Very high	46 Å²	46	51.3 Å²	51.3	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-52.3	-42.4	178.1	175.5	174.2	62.1	0	0	112.3	P320 V321 N327 R345 L347 Y367	P320-M324 WeakPolarHBondContact O-CB 3.42Å; P320-M324 PolarHBondContact O-N 3.48Å; V321-M324 HydrophobicContact CG1-CE 4.38Å; V321-M324 PolarHBondContact O-N 3.33Å; M324-N327 PolarHBondContact O-N 3.26Å; M324-R345 WeakPolarHBondContact CE-O 3.28Å; M324-L347 HydrophobicContact CG-CD2 3.66Å; M324-L347 HydrophobicContact CG-CG 3.95Å; M324-L347 HydrophobicContact SD-CD2 4.2Å; M324-L347 HydrophobicContact SD-CG 3.84Å; M324-Y367 WeakPolarHBondContact O-CE2 3.43Å; M324-Y367 PolarHBondContact O-OH 2.86Å
325	F	98.1	Very high	94	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.1	-34.9	177.4	-71.7	-6.6	0	0	0	113.8	V321 L322 E323 N327 A331 A336 W339 F344 I350	V321-F325 HydrophobicContact CG1-CD2 3.98Å; V321-F325 HydrophobicContact CG1-CE1 4.17Å; V321-F325 HydrophobicContact CG1-CE2 3.55Å; V321-F325 HydrophobicContact CG1-CG 4.48Å; V321-F325 HydrophobicContact CG1-CZ 3.65Å; V321-F325 WeakPolarHBondContact O-CB 3.48Å; V321-F325 VanDerWaalsContact O-CG 3.26Å; V321-F325 WeakPolarHBondContact O-CG 3.45Å; V321-F325 PolarHBondContact O-N 2.87Å; L322-F325 PolarHBondContact O-N 3.16Å; E323-F325 PolarHBondContact O-N 3.38Å; F325-N327 VanDerWaalsContact C-N 3.31Å; F325-A331 VanDerWaalsContact O-CB 3.25Å; F325-A331 WeakPolarHBondContact O-CB 3.37Å; F325-A336 HydrophobicContact CB-CB 3.56Å; F325-W339 HydrophobicContact CB-CE3 3.92Å; F325-W339 HydrophobicContact CB-CZ3 4.32Å; F325-W339 HydrophobicContact CD2-CB 3.84Å; F325-W339 HydrophobicContact CD2-CE3 4.21Å; F325-W339 HydrophobicContact CE2-CB 3.81Å; F325-W339 AromaticContact CG-CE3 3.99Å; F325-W339 HydrophobicContact CG-CE3 3.99Å; F325-F344 HydrophobicContact CE2-CB 4.07Å; F325-F344 WeakPolarHBondContact CE2-O 3.34Å; F325-F344 HydrophobicContact CZ-CB 3.82Å; F325-F344 WeakPolarHBondContact CZ-O 3.43Å; F325-I350 HydrophobicContact CD1-CD1 4.11Å; F325-I350 HydrophobicContact CD1-CG1 3.88Å; F325-I350 HydrophobicContact CE1-CD1 3.67Å; F325-I350 HydrophobicContact CE1-CG1 3.52Å; F325-I350 HydrophobicContact CE2-CD1 4.1Å; F325-I350 HydrophobicContact CZ-CD1 3.66Å; F325-I350 HydrophobicContact CZ-CG1 4.04Å
326	T	97.1	Very high	94.7	Very high	28 Å²	28	44.8 Å²	44.8	17%	0.172	26%	0.263	C	S	.	.	H	α-helix	trans	-77.9	-13.6	174.8	53.3	0	0	0	0	114.7	H256 L322 E323 I328 A331 A333 A336	H256-T326 PolarHBondContact ND1-OG1 3.07Å; L322-T326 WeakPolarHBondContact O-CG2 3.41Å; L322-T326 PolarHBondContact O-N 3.32Å; L322-T326 PolarHBondContact O-OG1 3.48Å; E323-T326 PolarHBondContact O-N 2.89Å; E323-T326 PolarHBondContact O-OG1 3.39Å; T326-I328 VanDerWaalsContact C-N 3.31Å; T326-A331 WeakPolarHBondContact CA-O 3.13Å; T326-A333 HydrophobicContact CG2-CB 4.28Å; T326-A336 HydrophobicContact CG2-CB 3.51Å
327	N	96.9	Very high	95.3	Very high	44 Å²	44	45.8 Å²	45.8	24%	0.235	26%	0.255	C	S	.	.	H	α-helix	trans	-78.2	-18.5	174.5	-69	-11.7	0	0	0	111.9	E323 M324 F325 W329 Y367 L371	E323-N327 VanDerWaalsContact O-CG 3.23Å; E323-N327 PolarHBondContact O-N 2.92Å; E323-N327 PolarHBondContact O-OD1 3.41Å; M324-N327 PolarHBondContact O-N 3.26Å; F325-N327 VanDerWaalsContact C-N 3.31Å; N327-W329 PolarHBondContact O-N 2.97Å; N327-Y367 HydrophobicContact CB-CE2 3.61Å; N327-L371 HydrophobicContact CB-CD1 4.39Å; N327-L371 HydrophobicContact CB-CD2 4.08Å
328	I	98.1	Very high	95.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-64.1	120.6	168.9	-61.1	173	0	0	0	108.2	T326 G330 A331 W339 L347 I350 L364 Y367	T326-I328 VanDerWaalsContact C-N 3.31Å; I328-G330 PolarHBondContact O-N 3.03Å; I328-A331 HydrophobicContact CB-CB 4Å; I328-A331 HydrophobicContact CG2-CB 4.31Å; I328-A331 VanDerWaalsContact O-CB 3.26Å; I328-A331 WeakPolarHBondContact O-CB 3.2Å; I328-A331 PolarHBondContact O-N 2.77Å; I328-W339 HydrophobicContact CD1-CH2 4.32Å; I328-W339 HydrophobicContact CD1-CZ3 3.86Å; I328-L347 HydrophobicContact CD1-CD2 3.81Å; I328-L347 HydrophobicContact CG1-CD2 4.06Å; I328-I350 HydrophobicContact CD1-CB 4.39Å; I328-I350 HydrophobicContact CD1-CG1 4.24Å; I328-I350 HydrophobicContact CD1-CG2 3.96Å; I328-L364 HydrophobicContact CD1-CD1 4.06Å; I328-L364 HydrophobicContact CG1-CD1 4.42Å; I328-L364 HydrophobicContact CG2-CB 4.26Å; I328-Y367 HydrophobicContact CG1-CD2 3.7Å; I328-Y367 HydrophobicContact CG1-CE2 3.86Å
329	W	96.4	Very high	96.2	Very high	65 Å²	65	40.9 Å²	40.9	25%	0.246	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	136.3	-178.6	-158.5	95.9	0	0	0	111.1	N327 A331 N359 Q360 F370 L448 V449 M461	N327-W329 PolarHBondContact O-N 2.97Å; W329-A331 VanDerWaalsContact C-N 3.3Å; W329-A331 PolarHBondContact O-N 2.91Å; W329-N359 HydrophobicContact CE3-CB 4.11Å; W329-N359 HydrophobicContact CZ3-CB 3.85Å; W329-Q360 WeakPolarHBondContact O-CA 3.48Å; W329-F370 HydrophobicContact CB-CD2 3.92Å; W329-F370 HydrophobicContact CB-CE2 3.91Å; W329-F370 HydrophobicContact CG-CD2 4.46Å; W329-F370 HydrophobicContact CG-CE2 4.33Å; W329-L448 HydrophobicContact CD2-CD1 3.86Å; W329-L448 HydrophobicContact CD2-CD2 4.42Å; W329-L448 HydrophobicContact CE3-CB 4.26Å; W329-L448 HydrophobicContact CE3-CD1 3.9Å; W329-L448 HydrophobicContact CE3-CD2 3.73Å; W329-L448 HydrophobicContact CE3-CG 4.18Å; W329-L448 HydrophobicContact CG-CD1 4.46Å; W329-L448 HydrophobicContact CH2-CB 3.78Å; W329-L448 HydrophobicContact CH2-CD1 4.18Å; W329-L448 HydrophobicContact CH2-CG 4.46Å; W329-L448 HydrophobicContact CZ2-CB 4.48Å; W329-L448 HydrophobicContact CZ2-CD1 4.15Å; W329-L448 HydrophobicContact CZ3-CB 3.65Å; W329-L448 HydrophobicContact CZ3-CD1 4.06Å; W329-L448 HydrophobicContact CZ3-CD2 3.92Å; W329-L448 HydrophobicContact CZ3-CG 4.1Å; W329-V449 HydrophobicContact CH2-CG2 4.39Å; W329-M461 HydrophobicContact CH2-CE 4.48Å; W329-M461 HydrophobicContact CH2-SD 4.16Å; W329-M461 HydrophobicContact CZ2-CE 3.81Å; W329-M461 HydrophobicContact CZ2-SD 4.07Å
330	G	94.8	Very high	96.4	Very high	38 Å²	38	42.6 Å²	42.6	39%	0.392	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-0.7	-172.5	0	0	0	0	0	115.4	I328 Q360	I328-G330 PolarHBondContact O-N 3.03Å; G330-Q360 PolarHBondContact O-NE2 3.1Å
331	A	96.9	Very high	96.5	Very high	6 Å²	6	43.5 Å²	43.5	5%	0.05	24%	0.24	C	C	.	.			trans	-101.9	97	174.1	0	0	0	0	0	111.9	F325 T326 I328 W329 T335 W339	F325-A331 VanDerWaalsContact O-CB 3.25Å; F325-A331 WeakPolarHBondContact O-CB 3.37Å; T326-A331 WeakPolarHBondContact CA-O 3.13Å; I328-A331 HydrophobicContact CB-CB 4Å; I328-A331 HydrophobicContact CG2-CB 4.31Å; I328-A331 VanDerWaalsContact O-CB 3.26Å; I328-A331 WeakPolarHBondContact O-CB 3.2Å; I328-A331 PolarHBondContact O-N 2.77Å; W329-A331 VanDerWaalsContact C-N 3.3Å; W329-A331 PolarHBondContact O-N 2.91Å; A331-T335 HydrophobicContact CB-CG2 4.3Å; A331-W339 HydrophobicContact CB-CH2 3.57Å; A331-W339 HydrophobicContact CB-CZ3 3.54Å
332	G	94.3	Very high	96.6	Very high	41 Å²	41	47.5 Å²	47.5	42%	0.423	26%	0.257	S	S	.	.			trans	-74	168.3	172.6	0	0	0	0	0	112.7	K334 T335 A336	G332-K334 PolarHBondContact O-N 3.36Å; G332-T335 WeakPolarHBondContact O-CA 3.43Å; G332-T335 VanDerWaalsContact O-CB 3.31Å; G332-T335 WeakPolarHBondContact O-CB 3.49Å; G332-T335 PolarHBondContact O-N 3.22Å; G332-A336 PolarHBondContact O-N 3.16Å
333	A	93.6	Very high	96.6	Very high	25 Å²	25	49.3 Å²	49.3	21%	0.207	28%	0.277	C	S	.	.	H	α-helix	trans	-52.4	-32	178.3	0	0	0	0	0	114.1	T326 Q337	T326-A333 HydrophobicContact CG2-CB 4.28Å; A333-Q337 WeakPolarHBondContact O-CB 3.37Å; A333-Q337 WeakPolarHBondContact O-CG 3.43Å; A333-Q337 PolarHBondContact O-N 2.85Å
334	K	95.4	Very high	96.8	Very high	192 Å²	192	47.9 Å²	47.9	84%	0.835	27%	0.27	S	S	*	.	H	α-helix	trans	-61.8	-42.9	172.1	-72.6	-171.2	174.8	-173	0	112.6	G332 L338	G332-K334 PolarHBondContact O-N 3.36Å; K334-L338 WeakPolarHBondContact O-CB 3.44Å; K334-L338 PolarHBondContact O-N 3.13Å
335	T	97.3	Very high	96.8	Very high	34 Å²	34	50.4 Å²	50.4	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-45.9	178.7	-45.8	0	0	0	0	110.7	A331 G332 Q337 L338 W339	A331-T335 HydrophobicContact CB-CG2 4.3Å; G332-T335 WeakPolarHBondContact O-CA 3.43Å; G332-T335 VanDerWaalsContact O-CB 3.31Å; G332-T335 WeakPolarHBondContact O-CB 3.49Å; G332-T335 PolarHBondContact O-N 3.22Å; T335-Q337 PolarHBondContact O-N 3.15Å; T335-L338 WeakPolarHBondContact O-CB 3.47Å; T335-L338 PolarHBondContact O-N 3.36Å; T335-W339 HydrophobicContact CG2-CD2 4.01Å; T335-W339 HydrophobicContact CG2-CE3 4.25Å; T335-W339 HydrophobicContact CG2-CH2 3.7Å; T335-W339 HydrophobicContact CG2-CZ2 3.4Å; T335-W339 VanDerWaalsContact CG2-CZ2 3.4Å; T335-W339 HydrophobicContact CG2-CZ3 4.1Å; T335-W339 PolarHBondContact O-N 2.93Å
336	A	97.4	Very high	96.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-43.1	175.8	0	0	0	0	0	112.5	L322 F325 T326 G332 Y340	L322-A336 HydrophobicContact CD2-CB 3.99Å; F325-A336 HydrophobicContact CB-CB 3.56Å; T326-A336 HydrophobicContact CG2-CB 3.51Å; G332-A336 PolarHBondContact O-N 3.16Å; A336-Y340 WeakPolarHBondContact O-CB 3.49Å; A336-Y340 PolarHBondContact O-N 3.03Å
337	Q	96	Very high	96.8	Very high	67 Å²	67	53.6 Å²	53.6	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-41.3	174.5	-68.6	-78.3	13.7	0	0	111.8	Q257 L322 A333 T335 Y340 T341	Q257-Q337 PolarHBondContact O-NE2 2.82Å; Q257-Q337 VanDerWaalsContact O-NE2 3.12Å; L322-Q337 HydrophobicContact CD2-CB 4.44Å; L322-Q337 HydrophobicContact CD2-CG 3.95Å; A333-Q337 WeakPolarHBondContact O-CB 3.37Å; A333-Q337 WeakPolarHBondContact O-CG 3.43Å; A333-Q337 PolarHBondContact O-N 2.85Å; T335-Q337 PolarHBondContact O-N 3.15Å; Q337-Y340 PolarHBondContact O-N 2.84Å; Q337-T341 WeakPolarHBondContact O-CG2 3.49Å; Q337-T341 PolarHBondContact O-N 2.79Å; Q337-T341 PolarHBondContact O-OG1 3.26Å
338	L	97.1	Very high	96.9	Very high	91 Å²	91	56 Å²	56	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-53.5	175.5	176.2	61.2	0	0	0	111.2	K334 T335 Y340 T341 Q342	K334-L338 WeakPolarHBondContact O-CB 3.44Å; K334-L338 PolarHBondContact O-N 3.13Å; T335-L338 WeakPolarHBondContact O-CB 3.47Å; T335-L338 PolarHBondContact O-N 3.36Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 2.69Å; L338-T341 PolarHBondContact O-N 2.89Å; L338-T341 VanDerWaalsContact O-N 3.1Å; L338-T341 PolarHBondContact O-OG1 3.06Å; L338-Q342 HydrophobicContact CD1-CG 4.36Å; L338-Q342 WeakPolarHBondContact O-CG 3.47Å; L338-Q342 PolarHBondContact O-N 3.02Å
339	W	98.1	Very high	96.9	Very high	6 Å²	6	57 Å²	57	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-40.4	176.2	-67.8	-23.1	0	0	0	112.2	F325 I328 A331 T335 Q342 G343 F344 I350 L356	F325-W339 HydrophobicContact CB-CE3 3.92Å; F325-W339 HydrophobicContact CB-CZ3 4.32Å; F325-W339 HydrophobicContact CD2-CB 3.84Å; F325-W339 HydrophobicContact CD2-CE3 4.21Å; F325-W339 HydrophobicContact CE2-CB 3.81Å; F325-W339 AromaticContact CG-CE3 3.99Å; F325-W339 HydrophobicContact CG-CE3 3.99Å; I328-W339 HydrophobicContact CD1-CH2 4.32Å; I328-W339 HydrophobicContact CD1-CZ3 3.86Å; A331-W339 HydrophobicContact CB-CH2 3.57Å; A331-W339 HydrophobicContact CB-CZ3 3.54Å; T335-W339 HydrophobicContact CG2-CD2 4.01Å; T335-W339 HydrophobicContact CG2-CE3 4.25Å; T335-W339 HydrophobicContact CG2-CH2 3.7Å; T335-W339 HydrophobicContact CG2-CZ2 3.4Å; T335-W339 VanDerWaalsContact CG2-CZ2 3.4Å; T335-W339 HydrophobicContact CG2-CZ3 4.1Å; T335-W339 PolarHBondContact O-N 2.93Å; W339-Q342 PolarHBondContact O-N 3.1Å; W339-G343 PolarHBondContact O-N 3.32Å; W339-F344 HydrophobicContact CB-CB 4.43Å; W339-F344 HydrophobicContact CB-CD2 3.77Å; W339-F344 AromaticContact CD1-CD2 3.93Å; W339-F344 AromaticContact CD1-CE2 3.98Å; W339-F344 HydrophobicContact CG-CD2 4.01Å; W339-F344 WeakPolarHBondContact O-CB 3.13Å; W339-F344 PolarHBondContact O-N 3.48Å; W339-F344 VanDerWaalsContact O-N 3.08Å; W339-I350 HydrophobicContact CB-CD1 3.86Å; W339-I350 HydrophobicContact CD2-CD1 3.65Å; W339-I350 HydrophobicContact CE3-CD1 3.74Å; W339-I350 HydrophobicContact CE3-CG1 4.29Å; W339-I350 HydrophobicContact CE3-CG2 4.5Å; W339-I350 HydrophobicContact CG-CD1 3.72Å; W339-I350 HydrophobicContact CH2-CG2 4.11Å; W339-I350 HydrophobicContact CZ2-CG2 4.2Å; W339-I350 HydrophobicContact CZ3-CD1 4.5Å; W339-I350 HydrophobicContact CZ3-CG2 4.28Å; W339-L356 HydrophobicContact CH2-CD2 4.03Å; W339-L356 HydrophobicContact CZ2-CD2 3.41Å; W339-L356 VanDerWaalsContact CZ2-CD2 3.41Å
340	Y	96.9	Very high	97	Very high	48 Å²	48	53.9 Å²	53.9	19%	0.188	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-41.3	175.4	-167.7	-91.5	0	0	0	112.5	A318 V321 L322 A336 Q337 L338 Q342 G343 R345	A318-Y340 HydrophobicContact CB-CD1 4.29Å; A318-Y340 HydrophobicContact CB-CD2 4.36Å; A318-Y340 HydrophobicContact CB-CE1 3.71Å; A318-Y340 HydrophobicContact CB-CE2 3.8Å; A318-Y340 VanDerWaalsContact CB-CZ 3.44Å; V321-Y340 HydrophobicContact CB-CD2 3.94Å; V321-Y340 HydrophobicContact CB-CE2 3.92Å; V321-Y340 HydrophobicContact CG1-CD2 3.71Å; V321-Y340 HydrophobicContact CG1-CE2 4.05Å; V321-Y340 HydrophobicContact CG2-CE2 4.21Å; L322-Y340 HydrophobicContact CD2-CG 4.37Å; A336-Y340 WeakPolarHBondContact O-CB 3.49Å; A336-Y340 PolarHBondContact O-N 3.03Å; Q337-Y340 PolarHBondContact O-N 2.84Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Y340 PolarHBondContact O-N 2.69Å; Y340-Q342 VanDerWaalsContact C-N 3.33Å; Y340-G343 PolarHBondContact O-N 2.95Å; Y340-G343 VanDerWaalsContact O-N 3.12Å; Y340-R345 VanDerWaalsContact CZ-CZ 3.45Å; Y340-R345 PolarHBondContact O-NH1 3.17Å; Y340-R345 PolarHBondContact O-NH2 3.26Å
341	T	96.5	Very high	97.1	Very high	107 Å²	107	58.5 Å²	58.5	66%	0.656	30%	0.304	S	S	*	.	H	α-helix	trans	-69.8	-27.2	174.8	57.2	0	0	0	0	113.5	Q337 L338 G343	Q337-T341 WeakPolarHBondContact O-CG2 3.49Å; Q337-T341 PolarHBondContact O-N 2.79Å; Q337-T341 PolarHBondContact O-OG1 3.26Å; L338-T341 PolarHBondContact O-N 2.89Å; L338-T341 VanDerWaalsContact O-N 3.1Å; L338-T341 PolarHBondContact O-OG1 3.06Å; T341-G343 PolarHBondContact O-N 3.15Å
342	Q	97.7	Very high	97.1	Very high	103 Å²	103	62.3 Å²	62.3	48%	0.481	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-0.5	170.4	-70.3	172.1	-36.3	0	0	113.3	L338 W339 Y340 F344	L338-Q342 HydrophobicContact CD1-CG 4.36Å; L338-Q342 WeakPolarHBondContact O-CG 3.47Å; L338-Q342 PolarHBondContact O-N 3.02Å; W339-Q342 PolarHBondContact O-N 3.1Å; Y340-Q342 VanDerWaalsContact C-N 3.33Å; Q342-F344 HydrophobicContact CB-CD2 4.28Å; Q342-F344 HydrophobicContact CB-CE1 4.25Å; Q342-F344 HydrophobicContact CB-CE2 4.02Å; Q342-F344 HydrophobicContact CB-CZ 4.01Å
343	G	97.4	Very high	97.3	Very high	42 Å²	42	66.4 Å²	66.4	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	1.5	176.9	0	0	0	0	0	114.8	W339 Y340 T341 R345	W339-G343 PolarHBondContact O-N 3.32Å; Y340-G343 PolarHBondContact O-N 2.95Å; Y340-G343 VanDerWaalsContact O-N 3.12Å; T341-G343 PolarHBondContact O-N 3.15Å; G343-R345 VanDerWaalsContact C-NH1 3.32Å
344	F	98.3	Very high	97.4	Very high	22 Å²	22	66.1 Å²	66.1	10%	0.096	33%	0.33	C	S	.	.			trans	-68.6	137.5	178.6	-53.7	-23.3	0	0	0	110.5	F325 W339 Q342 D349 I350 K353 A354	F325-F344 HydrophobicContact CE2-CB 4.07Å; F325-F344 WeakPolarHBondContact CE2-O 3.34Å; F325-F344 HydrophobicContact CZ-CB 3.82Å; F325-F344 WeakPolarHBondContact CZ-O 3.43Å; W339-F344 HydrophobicContact CB-CB 4.43Å; W339-F344 HydrophobicContact CB-CD2 3.77Å; W339-F344 AromaticContact CD1-CD2 3.93Å; W339-F344 AromaticContact CD1-CE2 3.98Å; W339-F344 HydrophobicContact CG-CD2 4.01Å; W339-F344 WeakPolarHBondContact O-CB 3.13Å; W339-F344 PolarHBondContact O-N 3.48Å; W339-F344 VanDerWaalsContact O-N 3.08Å; Q342-F344 HydrophobicContact CB-CD2 4.28Å; Q342-F344 HydrophobicContact CB-CE1 4.25Å; Q342-F344 HydrophobicContact CB-CE2 4.02Å; Q342-F344 HydrophobicContact CB-CZ 4.01Å; F344-D349 HydrophobicContact CB-CB 3.63Å; F344-D349 HydrophobicContact CD1-CB 3.98Å; F344-D349 HydrophobicContact CG-CB 3.91Å; F344-I350 HydrophobicContact CB-CD1 3.89Å; F344-I350 HydrophobicContact CD2-CD1 3.68Å; F344-I350 HydrophobicContact CG-CD1 4.16Å; F344-K353 HydrophobicContact CD1-CB 4.32Å; F344-K353 HydrophobicContact CD1-CD 4.25Å; F344-K353 HydrophobicContact CE1-CB 3.53Å; F344-K353 HydrophobicContact CE1-CD 4.02Å; F344-K353 HydrophobicContact CE1-CG 4.39Å; F344-K353 HydrophobicContact CZ-CB 3.66Å; F344-A354 HydrophobicContact CD2-CB 4.32Å; F344-A354 HydrophobicContact CE2-CB 3.82Å
345	R	97.7	Very high	97.4	Very high	98 Å²	98	64.2 Å²	64.2	37%	0.37	33%	0.33	S	S	.	.			trans	-131.4	-9.2	-177.3	-63.5	-64.5	176.7	-91.2	2.8	114.4	M324 Y340 G343 D349	M324-R345 WeakPolarHBondContact CE-O 3.28Å; Y340-R345 VanDerWaalsContact CZ-CZ 3.45Å; Y340-R345 PolarHBondContact O-NH1 3.17Å; Y340-R345 PolarHBondContact O-NH2 3.26Å; G343-R345 VanDerWaalsContact C-NH1 3.32Å; R345-D349 PolarHBondContact N-OD2 3.49Å
346	T	98.3	Very high	97.4	Very high	64 Å²	64	64 Å²	64	39%	0.393	33%	0.327	S	S	.	.	S	Bend	trans	-135	159.7	-175.2	65.3	0	0	0	0	111.6	E348 D349 I350	T346-E348 PolarHBondContact O-N 2.79Å; T346-E348 PolarHBondContact OG1-N 3.12Å; T346-D349 PolarHBondContact N-OD2 3.43Å; T346-D349 WeakPolarHBondContact O-CB 3.18Å; T346-D349 PolarHBondContact O-N 2.87Å; T346-D349 VanDerWaalsContact OG1-CG 3.24Å; T346-D349 PolarHBondContact OG1-N 2.84Å; T346-D349 VanDerWaalsContact OG1-N 3.08Å; T346-D349 PolarHBondContact OG1-OD2 3.44Å; T346-I350 PolarHBondContact O-N 2.67Å
347	L	98.2	Very high	97.3	Very high	32 Å²	32	67.9 Å²	67.9	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-26.9	170.4	-63.7	177.5	0	0	0	112.5	M324 I328 I350 R351 L364 Y367	M324-L347 HydrophobicContact CG-CD2 3.66Å; M324-L347 HydrophobicContact CG-CG 3.95Å; M324-L347 HydrophobicContact SD-CD2 4.2Å; M324-L347 HydrophobicContact SD-CG 3.84Å; I328-L347 HydrophobicContact CD1-CD2 3.81Å; I328-L347 HydrophobicContact CG1-CD2 4.06Å; L347-I350 WeakPolarHBondContact O-CB 3.39Å; L347-I350 PolarHBondContact O-N 3.48Å; L347-R351 WeakPolarHBondContact O-CB 3.34Å; L347-R351 PolarHBondContact O-N 3.07Å; L347-L364 HydrophobicContact CB-CD1 4.26Å; L347-L364 HydrophobicContact CD2-CD1 4.16Å; L347-Y367 HydrophobicContact CD1-CD1 3.61Å; L347-Y367 HydrophobicContact CD1-CD2 4.42Å; L347-Y367 HydrophobicContact CD1-CE1 3.64Å; L347-Y367 HydrophobicContact CD1-CE2 4.42Å; L347-Y367 HydrophobicContact CD1-CG 4.03Å; L347-Y367 HydrophobicContact CD2-CD2 4.19Å; L347-Y367 HydrophobicContact CD2-CE2 3.97Å
348	E	98.2	Very high	97.3	Very high	93 Å²	93	70.2 Å²	70.2	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-74.5	-31.8	177.9	-165.2	58.5	-157	0	0	112.5	T346 I350 R351 T352	T346-E348 PolarHBondContact O-N 2.79Å; T346-E348 PolarHBondContact OG1-N 3.12Å; E348-I350 VanDerWaalsContact C-N 3.28Å; E348-I350 PolarHBondContact O-N 3.07Å; E348-R351 PolarHBondContact O-N 3.04Å; E348-R351 WeakPolarHBondContact OE2-CD 3.44Å; E348-R351 IonicContact OE2-CZ 3.28Å; E348-R351 IonicContact OE2-NE 3.14Å; E348-R351 IonicContact OE2-NH1 3.82Å; E348-R351 PolarHBondContact OE2-NH1 3.12Å; E348-T352 HydrophobicContact CG-CG2 4.34Å; E348-T352 WeakPolarHBondContact O-CB 3.36Å; E348-T352 WeakPolarHBondContact O-CG2 3.49Å; E348-T352 PolarHBondContact O-N 2.89Å; E348-T352 PolarHBondContact O-OG1 2.85Å; E348-T352 VanDerWaalsContact OE1-CG2 3.29Å; E348-T352 WeakPolarHBondContact OE1-CG2 3.22Å
349	D	98.3	Very high	97.3	Very high	22 Å²	22	67.9 Å²	67.9	12%	0.118	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-42.6	166.8	-63.2	-61.1	0	0	0	110.8	F344 R345 T346 T352 K353 A354	F344-D349 HydrophobicContact CB-CB 3.63Å; F344-D349 HydrophobicContact CD1-CB 3.98Å; F344-D349 HydrophobicContact CG-CB 3.91Å; R345-D349 PolarHBondContact N-OD2 3.49Å; T346-D349 PolarHBondContact N-OD2 3.43Å; T346-D349 WeakPolarHBondContact O-CB 3.18Å; T346-D349 PolarHBondContact O-N 2.87Å; T346-D349 VanDerWaalsContact OG1-CG 3.24Å; T346-D349 PolarHBondContact OG1-N 2.84Å; T346-D349 VanDerWaalsContact OG1-N 3.08Å; T346-D349 PolarHBondContact OG1-OD2 3.44Å; D349-T352 PolarHBondContact O-N 3.4Å; D349-K353 HydrophobicContact CB-CD 4.32Å; D349-K353 WeakPolarHBondContact O-CA 3.48Å; D349-K353 VanDerWaalsContact O-CB 3.27Å; D349-K353 WeakPolarHBondContact O-CB 3.09Å; D349-K353 PolarHBondContact O-N 2.79Å; D349-K353 IonicContact OD1-NZ 2.66Å; D349-K353 PolarHBondContact OD1-NZ 2.92Å; D349-A354 PolarHBondContact O-N 2.84Å
350	I	98.3	Very high	97.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-44.5	177.8	-51.9	-50	0	0	0	110.3	F325 I328 W339 F344 T346 L347 E348 T352 A354 L356 L364	F325-I350 HydrophobicContact CD1-CD1 4.11Å; F325-I350 HydrophobicContact CD1-CG1 3.88Å; F325-I350 HydrophobicContact CE1-CD1 3.67Å; F325-I350 HydrophobicContact CE1-CG1 3.52Å; F325-I350 HydrophobicContact CE2-CD1 4.1Å; F325-I350 HydrophobicContact CZ-CD1 3.66Å; F325-I350 HydrophobicContact CZ-CG1 4.04Å; I328-I350 HydrophobicContact CD1-CB 4.39Å; I328-I350 HydrophobicContact CD1-CG1 4.24Å; I328-I350 HydrophobicContact CD1-CG2 3.96Å; W339-I350 HydrophobicContact CB-CD1 3.86Å; W339-I350 HydrophobicContact CD2-CD1 3.65Å; W339-I350 HydrophobicContact CE3-CD1 3.74Å; W339-I350 HydrophobicContact CE3-CG1 4.29Å; W339-I350 HydrophobicContact CE3-CG2 4.5Å; W339-I350 HydrophobicContact CG-CD1 3.72Å; W339-I350 HydrophobicContact CH2-CG2 4.11Å; W339-I350 HydrophobicContact CZ2-CG2 4.2Å; W339-I350 HydrophobicContact CZ3-CD1 4.5Å; W339-I350 HydrophobicContact CZ3-CG2 4.28Å; F344-I350 HydrophobicContact CB-CD1 3.89Å; F344-I350 HydrophobicContact CD2-CD1 3.68Å; F344-I350 HydrophobicContact CG-CD1 4.16Å; T346-I350 PolarHBondContact O-N 2.67Å; L347-I350 WeakPolarHBondContact O-CB 3.39Å; L347-I350 PolarHBondContact O-N 3.48Å; E348-I350 VanDerWaalsContact C-N 3.28Å; E348-I350 PolarHBondContact O-N 3.07Å; I350-T352 VanDerWaalsContact C-N 3.31Å; I350-T352 PolarHBondContact O-N 3.01Å; I350-A354 HydrophobicContact CB-CB 4.45Å; I350-A354 HydrophobicContact CD1-CB 4.39Å; I350-A354 HydrophobicContact CG2-CB 3.93Å; I350-A354 WeakPolarHBondContact O-CB 3.41Å; I350-A354 PolarHBondContact O-N 3.45Å; I350-L356 HydrophobicContact CG2-CD1 4.21Å; I350-L356 HydrophobicContact CG2-CD2 3.73Å; I350-L364 HydrophobicContact CB-CD2 4.39Å; I350-L364 HydrophobicContact CG2-CD2 4.04Å
351	R	97.4	Very high	97.3	Very high	135 Å²	135	70.4 Å²	70.4	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-33.3	178.2	-173.1	171.8	-69.9	120.1	-1.4	113.8	L347 E348 L364	L347-R351 WeakPolarHBondContact O-CB 3.34Å; L347-R351 PolarHBondContact O-N 3.07Å; E348-R351 PolarHBondContact O-N 3.04Å; E348-R351 WeakPolarHBondContact OE2-CD 3.44Å; E348-R351 IonicContact OE2-CZ 3.28Å; E348-R351 IonicContact OE2-NE 3.14Å; E348-R351 IonicContact OE2-NH1 3.82Å; E348-R351 PolarHBondContact OE2-NH1 3.12Å; R351-L364 HydrophobicContact CB-CD2 4.03Å
352	T	97	Very high	97.4	Very high	87 Å²	87	65.6 Å²	65.6	53%	0.534	33%	0.332	S	S	.	.	H	α-helix	trans	-108.2	-19.2	-170.7	57.9	0	0	0	0	115.3	E348 D349 I350	E348-T352 HydrophobicContact CG-CG2 4.34Å; E348-T352 WeakPolarHBondContact O-CB 3.36Å; E348-T352 WeakPolarHBondContact O-CG2 3.49Å; E348-T352 PolarHBondContact O-N 2.89Å; E348-T352 PolarHBondContact O-OG1 2.85Å; E348-T352 VanDerWaalsContact OE1-CG2 3.29Å; E348-T352 WeakPolarHBondContact OE1-CG2 3.22Å; D349-T352 PolarHBondContact O-N 3.4Å; I350-T352 VanDerWaalsContact C-N 3.31Å; I350-T352 PolarHBondContact O-N 3.01Å
353	K	97.3	Very high	97.4	Very high	127 Å²	127	60.7 Å²	60.7	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-132.1	-21.1	-169.6	-55.4	159.4	-165.9	172.8	0	114.3	F344 D349	F344-K353 HydrophobicContact CD1-CB 4.32Å; F344-K353 HydrophobicContact CD1-CD 4.25Å; F344-K353 HydrophobicContact CE1-CB 3.53Å; F344-K353 HydrophobicContact CE1-CD 4.02Å; F344-K353 HydrophobicContact CE1-CG 4.39Å; F344-K353 HydrophobicContact CZ-CB 3.66Å; D349-K353 HydrophobicContact CB-CD 4.32Å; D349-K353 WeakPolarHBondContact O-CA 3.48Å; D349-K353 VanDerWaalsContact O-CB 3.27Å; D349-K353 WeakPolarHBondContact O-CB 3.09Å; D349-K353 PolarHBondContact O-N 2.79Å; D349-K353 IonicContact OD1-NZ 2.66Å; D349-K353 PolarHBondContact OD1-NZ 2.92Å
354	A	96.9	Very high	97.4	Very high	18 Å²	18	59.1 Å²	59.1	15%	0.149	29%	0.291	C	S	.	.			trans	-82.6	139.6	179.2	0	0	0	0	0	111.2	F344 D349 I350 L356	F344-A354 HydrophobicContact CD2-CB 4.32Å; F344-A354 HydrophobicContact CE2-CB 3.82Å; D349-A354 PolarHBondContact O-N 2.84Å; I350-A354 HydrophobicContact CB-CB 4.45Å; I350-A354 HydrophobicContact CD1-CB 4.39Å; I350-A354 HydrophobicContact CG2-CB 3.93Å; I350-A354 WeakPolarHBondContact O-CB 3.41Å; I350-A354 PolarHBondContact O-N 3.45Å; A354-L356 HydrophobicContact CB-CD2 3.78Å; A354-L356 HydrophobicContact CB-CG 4.36Å
355	N	95.3	Very high	97.4	Very high	153 Å²	153	63.9 Å²	63.9	82%	0.818	31%	0.312	S	S	*	.			trans	-79.5	119.1	163.4	-171.9	-5.1	0	0	0	108.1
356	L	97.4	Very high	97.4	Very high	29 Å²	29	59.5 Å²	59.5	15%	0.152	30%	0.296	C	S	.	.			trans	-114.2	138.9	-174	-58.3	-175.6	0	0	0	110.3	W339 I350 A354 Q360 I361 L364	W339-L356 HydrophobicContact CH2-CD2 4.03Å; W339-L356 HydrophobicContact CZ2-CD2 3.41Å; W339-L356 VanDerWaalsContact CZ2-CD2 3.41Å; I350-L356 HydrophobicContact CG2-CD1 4.21Å; I350-L356 HydrophobicContact CG2-CD2 3.73Å; A354-L356 HydrophobicContact CB-CD2 3.78Å; A354-L356 HydrophobicContact CB-CG 4.36Å; L356-Q360 HydrophobicContact CB-CB 4.1Å; L356-Q360 HydrophobicContact CD2-CB 4.19Å; L356-I361 HydrophobicContact CB-CD1 4.42Å; L356-I361 HydrophobicContact CB-CG1 3.66Å; L356-I361 HydrophobicContact CD1-CG1 4.22Å; L356-L364 HydrophobicContact CD1-CD2 3.76Å
357	N	95.9	Very high	97.4	Very high	82 Å²	82	57.5 Å²	57.5	44%	0.439	28%	0.281	S	S	.	.			trans	-76.6	162.1	164.3	66.3	40.2	0	0	0	110.8	N359 Q360 I361	N357-N359 PolarHBondContact O-N 2.67Å; N357-N359 VanDerWaalsContact O-N 3.11Å; N357-N359 WeakPolarHBondContact OD1-CB 3.45Å; N357-N359 PolarHBondContact OD1-N 3.15Å; N357-Q360 PolarHBondContact ND2-NE2 2.88Å; N357-Q360 WeakPolarHBondContact O-CA 3.47Å; N357-Q360 WeakPolarHBondContact O-CB 3.47Å; N357-Q360 PolarHBondContact O-N 2.89Å; N357-Q360 VanDerWaalsContact OD1-CG 3.29Å; N357-Q360 WeakPolarHBondContact OD1-CG 3.42Å; N357-Q360 PolarHBondContact OD1-N 2.87Å; N357-I361 WeakPolarHBondContact O-CG1 3.46Å; N357-I361 PolarHBondContact O-N 3Å
358	H	95.5	Very high	97.4	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.537	30%	0.302	S	S	.	.	H	α-helix	trans	-42.6	-46.9	178.4	178	71.4	0	0	0	113.5	Q360 I361 I362 D447	H358-Q360 PolarHBondContact O-N 3.49Å; H358-I361 WeakPolarHBondContact O-CB 3.16Å; H358-I361 PolarHBondContact O-N 3.29Å; H358-I362 VanDerWaalsContact NE2-CD1 3.28Å; H358-I362 WeakPolarHBondContact NE2-CD1 3.36Å; H358-I362 PolarHBondContact O-N 2.96Å; H358-D447 PolarHBondContact CD2-O 3.09Å; H358-D447 PolarHBondContact NE2-O 3.31Å
359	N	95.8	Very high	97.4	Very high	41 Å²	41	58.7 Å²	58.7	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-36.4	-177.9	-64.9	19	0	0	0	112.7	W329 N357 G363 L448	W329-N359 HydrophobicContact CE3-CB 4.11Å; W329-N359 HydrophobicContact CZ3-CB 3.85Å; N357-N359 PolarHBondContact O-N 2.67Å; N357-N359 VanDerWaalsContact O-N 3.11Å; N357-N359 WeakPolarHBondContact OD1-CB 3.45Å; N357-N359 PolarHBondContact OD1-N 3.15Å; N359-G363 PolarHBondContact O-N 3.33Å; N359-L448 HydrophobicContact CB-CD2 4.39Å; N359-L448 VanDerWaalsContact CG-O 3.26Å; N359-L448 PolarHBondContact ND2-O 3.02Å; N359-L448 PolarHBondContact OD1-O 3.03Å; N359-L448 VanDerWaalsContact OD1-O 3.12Å
360	Q	97.6	Very high	97.4	Very high	13 Å²	13	59.3 Å²	59.3	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-75.5	-29.3	175.1	-69.8	159	-3.2	0	0	112.3	W329 G330 L356 N357 H358 G363 L364	W329-Q360 WeakPolarHBondContact O-CA 3.48Å; G330-Q360 PolarHBondContact O-NE2 3.1Å; L356-Q360 HydrophobicContact CB-CB 4.1Å; L356-Q360 HydrophobicContact CD2-CB 4.19Å; N357-Q360 PolarHBondContact ND2-NE2 2.88Å; N357-Q360 WeakPolarHBondContact O-CA 3.47Å; N357-Q360 WeakPolarHBondContact O-CB 3.47Å; N357-Q360 PolarHBondContact O-N 2.89Å; N357-Q360 VanDerWaalsContact OD1-CG 3.29Å; N357-Q360 WeakPolarHBondContact OD1-CG 3.42Å; N357-Q360 PolarHBondContact OD1-N 2.87Å; H358-Q360 PolarHBondContact O-N 3.49Å; Q360-G363 PolarHBondContact O-N 2.98Å; Q360-L364 VanDerWaalsContact O-CB 3.26Å; Q360-L364 WeakPolarHBondContact O-CB 3.42Å; Q360-L364 PolarHBondContact O-N 3.32Å
361	I	98.1	Very high	97.3	Very high	94 Å²	94	63.3 Å²	63.3	48%	0.482	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-48.5	171.6	-64.1	169	0	0	0	109.5	L356 N357 H358 L364 K365	L356-I361 HydrophobicContact CB-CD1 4.42Å; L356-I361 HydrophobicContact CB-CG1 3.66Å; L356-I361 HydrophobicContact CD1-CG1 4.22Å; N357-I361 WeakPolarHBondContact O-CG1 3.46Å; N357-I361 PolarHBondContact O-N 3Å; H358-I361 WeakPolarHBondContact O-CB 3.16Å; H358-I361 PolarHBondContact O-N 3.29Å; I361-L364 PolarHBondContact O-N 2.95Å; I361-K365 WeakPolarHBondContact O-CB 3.32Å; I361-K365 PolarHBondContact O-N 2.59Å
362	I	98.1	Very high	97.3	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-66	-41	175.4	-62.4	162.3	0	0	0	111	H358 L364 K365 H366 F370 D446 D447 L448 V463	H358-I362 VanDerWaalsContact NE2-CD1 3.28Å; H358-I362 WeakPolarHBondContact NE2-CD1 3.36Å; H358-I362 PolarHBondContact O-N 2.96Å; I362-L364 PolarHBondContact O-N 3.07Å; I362-K365 WeakPolarHBondContact O-CB 3.42Å; I362-K365 PolarHBondContact O-N 3.1Å; I362-H366 PolarHBondContact O-N 3.04Å; I362-F370 HydrophobicContact CG2-CZ 4.45Å; I362-D446 HydrophobicContact CD1-CB 3.94Å; I362-D446 HydrophobicContact CG1-CB 4.12Å; I362-D446 HydrophobicContact CG2-CB 3.74Å; I362-D447 WeakPolarHBondContact CD1-O 3.09Å; I362-L448 HydrophobicContact CB-CD2 3.67Å; I362-L448 HydrophobicContact CD1-CD2 3.95Å; I362-L448 HydrophobicContact CG1-CD2 4.43Å; I362-L448 HydrophobicContact CG2-CD2 3.61Å; I362-L448 HydrophobicContact CG2-CG 4.39Å; I362-V463 HydrophobicContact CG2-CG2 3.91Å
363	G	97.8	Very high	97.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-22.4	175.5	0	0	0	0	0	114.9	N359 Q360	N359-G363 PolarHBondContact O-N 3.33Å; Q360-G363 PolarHBondContact O-N 2.98Å
364	L	98.3	Very high	97.4	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-94.7	-26.9	173.6	-177.8	61.6	0	0	0	112.6	I328 L347 I350 R351 L356 Q360 I361 I362	I328-L364 HydrophobicContact CD1-CD1 4.06Å; I328-L364 HydrophobicContact CG1-CD1 4.42Å; I328-L364 HydrophobicContact CG2-CB 4.26Å; L347-L364 HydrophobicContact CB-CD1 4.26Å; L347-L364 HydrophobicContact CD2-CD1 4.16Å; I350-L364 HydrophobicContact CB-CD2 4.39Å; I350-L364 HydrophobicContact CG2-CD2 4.04Å; R351-L364 HydrophobicContact CB-CD2 4.03Å; L356-L364 HydrophobicContact CD1-CD2 3.76Å; Q360-L364 VanDerWaalsContact O-CB 3.26Å; Q360-L364 WeakPolarHBondContact O-CB 3.42Å; Q360-L364 PolarHBondContact O-N 3.32Å; I361-L364 PolarHBondContact O-N 2.95Å; I362-L364 PolarHBondContact O-N 3.07Å
365	K	98.3	Very high	97.4	Very high	121 Å²	121	57.3 Å²	57.3	53%	0.526	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-44.1	172.3	179.6	-167.3	179	-167.5	0	111.3	I361 I362 D446	I361-K365 WeakPolarHBondContact O-CB 3.32Å; I361-K365 PolarHBondContact O-N 2.59Å; I362-K365 WeakPolarHBondContact O-CB 3.42Å; I362-K365 PolarHBondContact O-N 3.1Å; K365-D446 IonicContact NZ-OD1 2.74Å; K365-D446 PolarHBondContact NZ-OD1 2.99Å; K365-D446 IonicContact NZ-OD2 3.61Å; K365-D446 PolarHBondContact NZ-OD2 3.47Å
366	H	98.3	Very high	97.6	Very high	7 Å²	7	53 Å²	53	3%	0.032	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	28.3	-174.8	-58.9	-54.2	0	0	0	113.1	I362 D368 D369 F370 D446 H473	I362-H366 PolarHBondContact O-N 3.04Å; H366-D368 PolarHBondContact O-N 2.94Å; H366-D369 HydrophobicContact CB-CB 4.28Å; H366-D369 PolarHBondContact O-N 2.95Å; H366-F370 HydrophobicContact CB-CD1 3.81Å; H366-F370 HydrophobicContact CB-CD2 4.32Å; H366-F370 HydrophobicContact CB-CE1 3.47Å; H366-F370 VanDerWaalsContact CB-CE1 3.47Å; H366-F370 HydrophobicContact CB-CE2 4.04Å; H366-F370 HydrophobicContact CB-CG 4.22Å; H366-F370 HydrophobicContact CB-CZ 3.6Å; H366-F370 AromaticContact CD2-CZ 3.89Å; H366-F370 WeakPolarHBondContact O-CB 3.19Å; H366-F370 VanDerWaalsContact O-CG 3.27Å; H366-F370 WeakPolarHBondContact O-CG 3.42Å; H366-F370 PolarHBondContact O-N 2.78Å; H366-D446 IonicContact CD2-OD2 3.31Å; H366-D446 IonicContact CE1-OD2 3.53Å; H366-D446 IonicContact NE2-OD2 2.87Å; H366-D446 PolarHBondContact NE2-OD2 3.35Å; H366-H473 AromaticContact CE1-CD2 3.54Å; H366-H473 AromaticContact CE1-CE1 3.7Å; H366-H473 AromaticContact CE1-CG 3.4Å; H366-H473 VanDerWaalsContact CE1-CG 3.4Å; H366-H473 AromaticContact CE1-ND1 3.52Å; H366-H473 AromaticContact CE1-NE2 3.75Å; H366-H473 AromaticContact ND1-CE1 3.98Å; H366-H473 AromaticContact ND1-CG 3.62Å; H366-H473 AromaticContact ND1-ND1 3.48Å; H366-H473 PolarHBondContact ND1-ND1 2.75Å
367	Y	98.4	Very high	97.6	Very high	22 Å²	22	58 Å²	58	9%	0.086	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-49.2	-171.4	176.9	-92.8	0	0	0	113.4	M324 N327 I328 L347 L371	M324-Y367 WeakPolarHBondContact O-CE2 3.43Å; M324-Y367 PolarHBondContact O-OH 2.86Å; N327-Y367 HydrophobicContact CB-CE2 3.61Å; I328-Y367 HydrophobicContact CG1-CD2 3.7Å; I328-Y367 HydrophobicContact CG1-CE2 3.86Å; L347-Y367 HydrophobicContact CD1-CD1 3.61Å; L347-Y367 HydrophobicContact CD1-CD2 4.42Å; L347-Y367 HydrophobicContact CD1-CE1 3.64Å; L347-Y367 HydrophobicContact CD1-CE2 4.42Å; L347-Y367 HydrophobicContact CD1-CG 4.03Å; L347-Y367 HydrophobicContact CD2-CD2 4.19Å; L347-Y367 HydrophobicContact CD2-CE2 3.97Å; Y367-L371 HydrophobicContact CD1-CD1 4.1Å; Y367-L371 HydrophobicContact CE1-CD1 3.46Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.46Å; Y367-L371 HydrophobicContact CE2-CD1 4.28Å; Y367-L371 WeakPolarHBondContact O-CG 3.25Å; Y367-L371 PolarHBondContact O-N 3.12Å
368	D	97.9	Very high	97.7	Very high	116 Å²	116	55 Å²	55	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-40.7	-179.2	-56	-71.3	0	0	0	111.8	H366 F370 L371 D372	H366-D368 PolarHBondContact O-N 2.94Å; D368-F370 PolarHBondContact O-N 3.02Å; D368-L371 PolarHBondContact O-N 2.97Å; D368-D372 PolarHBondContact O-N 2.85Å; D368-D372 VanDerWaalsContact O-N 3.11Å
369	D	98	Very high	97.9	Very high	34 Å²	34	49.5 Å²	49.5	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.7	175.9	-85.1	18.4	0	0	0	112.7	H366 H473	H366-D369 HydrophobicContact CB-CB 4.28Å; H366-D369 PolarHBondContact O-N 2.95Å; D369-H473 HydrophobicContact CB-CB 4.39Å; D369-H473 WeakPolarHBondContact OD2-CB 3.37Å; D369-H473 IonicContact OD2-CE1 3.64Å; D369-H473 IonicContact OD2-CG 2.82Å; D369-H473 PolarHBondContact OD2-N 3.05Å; D369-H473 IonicContact OD2-ND1 2.82Å; D369-H473 PolarHBondContact OD2-ND1 2.88Å
370	F	97.6	Very high	98	Very high	35 Å²	35	49 Å²	49	15%	0.154	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.7	176.8	-68.6	-2.1	0	0	0	114.3	W329 I362 H366 D368 V463 R475	W329-F370 HydrophobicContact CB-CD2 3.92Å; W329-F370 HydrophobicContact CB-CE2 3.91Å; W329-F370 HydrophobicContact CG-CD2 4.46Å; W329-F370 HydrophobicContact CG-CE2 4.33Å; I362-F370 HydrophobicContact CG2-CZ 4.45Å; H366-F370 HydrophobicContact CB-CD1 3.81Å; H366-F370 HydrophobicContact CB-CD2 4.32Å; H366-F370 HydrophobicContact CB-CE1 3.47Å; H366-F370 VanDerWaalsContact CB-CE1 3.47Å; H366-F370 HydrophobicContact CB-CE2 4.04Å; H366-F370 HydrophobicContact CB-CG 4.22Å; H366-F370 HydrophobicContact CB-CZ 3.6Å; H366-F370 AromaticContact CD2-CZ 3.89Å; H366-F370 WeakPolarHBondContact O-CB 3.19Å; H366-F370 VanDerWaalsContact O-CG 3.27Å; H366-F370 WeakPolarHBondContact O-CG 3.42Å; H366-F370 PolarHBondContact O-N 2.78Å; D368-F370 PolarHBondContact O-N 3.02Å; F370-V463 HydrophobicContact CE1-CG1 4.08Å; F370-V463 HydrophobicContact CE1-CG2 4.04Å; F370-V463 HydrophobicContact CZ-CG1 4.42Å; F370-V463 HydrophobicContact CZ-CG2 3.6Å; F370-R475 HydrophobicContact CD1-CG 3.75Å; F370-R475 HydrophobicContact CD2-CG 4.35Å; F370-R475 HydrophobicContact CE1-CG 3.75Å; F370-R475 HydrophobicContact CE2-CG 4.34Å; F370-R475 HydrophobicContact CG-CG 4.06Å; F370-R475 HydrophobicContact CZ-CG 4.06Å
371	L	96	Very high	98.1	Very high	83 Å²	83	50.1 Å²	50.1	44%	0.435	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-26.2	174.1	-78.1	173.6	0	0	0	112.4	N327 Y367 D368	N327-L371 HydrophobicContact CB-CD1 4.39Å; N327-L371 HydrophobicContact CB-CD2 4.08Å; Y367-L371 HydrophobicContact CD1-CD1 4.1Å; Y367-L371 HydrophobicContact CE1-CD1 3.46Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.46Å; Y367-L371 HydrophobicContact CE2-CD1 4.28Å; Y367-L371 WeakPolarHBondContact O-CG 3.25Å; Y367-L371 PolarHBondContact O-N 3.12Å; D368-L371 PolarHBondContact O-N 2.97Å
372	D	97.3	Very high	98.1	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	23%	0.229	S	C	.	.	S	Bend	trans	-66.6	148.6	170.9	-178	50.1	0	0	0	112.2	D368 L472 R474	D368-D372 PolarHBondContact O-N 2.85Å; D368-D372 VanDerWaalsContact O-N 3.11Å; D372-L472 HydrophobicContact CB-CD1 4.33Å; D372-R474 IonicContact OD2-CZ 2.9Å; D372-R474 VanDerWaalsContact OD2-CZ 3.26Å; D372-R474 IonicContact OD2-NH1 3.48Å; D372-R474 PolarHBondContact OD2-NH1 2.88Å; D372-R474 IonicContact OD2-NH2 2.68Å; D372-R474 PolarHBondContact OD2-NH2 2.94Å
373	R	97.7	Very high	98.1	Very high	112 Å²	112	46.8 Å²	46.8	42%	0.423	23%	0.234	S	C	.	.			trans	-109.2	113.1	176.6	-66.5	-169	64.3	74	0.3	110.6	T411 C412	R373-T411 PolarHBondContact NE-OG1 2.9Å; R373-T411 PolarHBondContact NH2-O 3.05Å; R373-C412 CarbonylContact C-O 3.59Å; R373-C412 VanDerWaalsContact CA-O 3.25Å; R373-C412 WeakPolarHBondContact CA-O 3.49Å; R373-C412 WeakPolarHBondContact CB-O 3.46Å
374	M	98.3	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.1	178.5	79.4	-171.8	86.7	0	0	112.1	E378 A379 I382 T411 C412 G413 V415 R474	M374-E378 HydrophobicContact CB-CB 4.12Å; M374-E378 HydrophobicContact CB-CG 4.32Å; M374-E378 WeakPolarHBondContact CB-OE2 3.47Å; M374-E378 HydrophobicContact CG-CB 4.44Å; M374-A379 HydrophobicContact CG-CB 4.23Å; M374-A379 HydrophobicContact SD-CB 3.82Å; M374-I382 HydrophobicContact SD-CD1 3.93Å; M374-T411 CarbonylContact O-C 3.51Å; M374-T411 WeakPolarHBondContact O-CA 3.31Å; M374-T411 WeakPolarHBondContact O-CB 3.42Å; M374-C412 HydrophobicContact CE-CB 4.47Å; M374-C412 HydrophobicContact CG-CB 3.86Å; M374-C412 PolarHBondContact N-O 3.07Å; M374-C412 PolarHBondContact O-N 3.33Å; M374-C412 HydrophobicContact SD-CB 4.33Å; M374-G413 WeakPolarHBondContact CE-O 3.44Å; M374-V415 HydrophobicContact CE-CG2 3.89Å; M374-V415 HydrophobicContact SD-CG2 3.6Å; M374-V415 VanDerWaalsContact SD-CG2 3.6Å; M374-R474 HydrophobicContact CE-CB 3.9Å; M374-R474 HydrophobicContact CE-CG 4.13Å; M374-R474 HydrophobicContact SD-CB 4.48Å; M374-R474 HydrophobicContact SD-CG 4.29Å
375	P	98.3	Very high	98.2	Very high	59 Å²	59	53.4 Å²	53.4	38%	0.383	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	154.1	167.5	-23.3	34.5	0	0	0	112.1	E377 E378 A379	P375-E377 WeakPolarHBondContact CB-OE2 3.39Å; P375-E377 PolarHBondContact O-N 2.85Å; P375-E377 VanDerWaalsContact O-N 3.16Å; P375-E378 WeakPolarHBondContact CD-OE2 3.43Å; P375-E378 WeakPolarHBondContact O-CB 3.34Å; P375-E378 PolarHBondContact O-N 3.38Å; P375-A379 PolarHBondContact O-N 3.38Å
376	R	98.1	Very high	98.2	Very high	64 Å²	64	47.7 Å²	47.7	24%	0.242	24%	0.241	C	C	.	.	H	α-helix	trans	-54.3	-34.5	177.8	-177.5	175.4	-170.5	72.1	12.8	112.9	E378 A379 A380 Y405 K409 D410	R376-E378 VanDerWaalsContact C-N 3.34Å; R376-A379 PolarHBondContact O-N 2.83Å; R376-A380 PolarHBondContact O-N 2.98Å; R376-Y405 HydrophobicContact CG-CD2 3.98Å; R376-Y405 HydrophobicContact CG-CE2 3.75Å; R376-Y405 VanDerWaalsContact CZ-O 3.29Å; R376-Y405 PolarHBondContact NH1-O 2.87Å; R376-Y405 PolarHBondContact NH2-O 2.62Å; R376-K409 WeakPolarHBondContact CD-O 3.48Å; R376-K409 PolarHBondContact NH1-O 3.17Å; R376-D410 WeakPolarHBondContact CB-O 3.23Å; R376-D410 PolarHBondContact N-O 3.04Å
377	E	98.3	Very high	98.2	Very high	133 Å²	133	50.5 Å²	50.5	62%	0.621	25%	0.253	S	S	*	.	H	α-helix	trans	-70.9	-31.6	-178.9	-59.7	64.7	-138.1	0	0	111.5	P375 A381	P375-E377 WeakPolarHBondContact CB-OE2 3.39Å; P375-E377 PolarHBondContact O-N 2.85Å; P375-E377 VanDerWaalsContact O-N 3.16Å; E377-A381 PolarHBondContact O-N 3.48Å; E377-A381 VanDerWaalsContact O-N 3.1Å
378	E	98.6	Very high	98.2	Very high	20 Å²	20	54.3 Å²	54.3	9%	0.093	27%	0.271	C	S	.	.	H	α-helix	trans	-71.2	-41.9	173.6	-164.2	-179.5	168.7	0	0	110.5	M374 P375 R376 A380 A381 I382 L466 R474	M374-E378 HydrophobicContact CB-CB 4.12Å; M374-E378 HydrophobicContact CB-CG 4.32Å; M374-E378 WeakPolarHBondContact CB-OE2 3.47Å; M374-E378 HydrophobicContact CG-CB 4.44Å; P375-E378 WeakPolarHBondContact CD-OE2 3.43Å; P375-E378 WeakPolarHBondContact O-CB 3.34Å; P375-E378 PolarHBondContact O-N 3.38Å; R376-E378 VanDerWaalsContact C-N 3.34Å; E378-A380 VanDerWaalsContact C-N 3.34Å; E378-A380 PolarHBondContact O-N 3.44Å; E378-A381 PolarHBondContact O-N 2.76Å; E378-I382 WeakPolarHBondContact O-CG1 3.22Å; E378-I382 PolarHBondContact O-N 2.79Å; E378-L466 HydrophobicContact CG-CD1 3.78Å; E378-R474 VanDerWaalsContact CD-NE 3.34Å; E378-R474 WeakPolarHBondContact OE1-CG 3.34Å; E378-R474 IonicContact OE1-CZ 2.87Å; E378-R474 IonicContact OE1-NE 2.59Å; E378-R474 PolarHBondContact OE1-NE 3.05Å; E378-R474 IonicContact OE1-NH2 2.61Å; E378-R474 IonicContact OE2-CZ 3.36Å; E378-R474 IonicContact OE2-NE 2.84Å; E378-R474 PolarHBondContact OE2-NE 2.77Å; E378-R474 IonicContact OE2-NH2 2.56Å; E378-R474 PolarHBondContact OE2-NH2 2.77Å
379	A	98.6	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-38.1	173.5	0	0	0	0	0	112.6	M374 P375 R376 I382 E383 Y405 C412 V415	M374-A379 HydrophobicContact CG-CB 4.23Å; M374-A379 HydrophobicContact SD-CB 3.82Å; P375-A379 PolarHBondContact O-N 3.38Å; R376-A379 PolarHBondContact O-N 2.83Å; A379-I382 PolarHBondContact O-N 3.18Å; A379-E383 PolarHBondContact O-N 2.83Å; A379-Y405 HydrophobicContact CB-CD2 3.87Å; A379-Y405 HydrophobicContact CB-CE2 4.45Å; A379-C412 HydrophobicContact CB-CB 4.09Å; A379-V415 HydrophobicContact CB-CG2 3.86Å
380	A	98.6	Very high	98.2	Very high	29 Å²	29	47.6 Å²	47.6	24%	0.24	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-38.4	174.1	0	0	0	0	0	112.5	R376 E378 E383 K384 Y405	R376-A380 PolarHBondContact O-N 2.98Å; E378-A380 VanDerWaalsContact C-N 3.34Å; E378-A380 PolarHBondContact O-N 3.44Å; A380-E383 PolarHBondContact O-N 3.41Å; A380-K384 WeakPolarHBondContact O-CB 3.34Å; A380-K384 PolarHBondContact O-N 3.18Å; A380-Y405 HydrophobicContact CB-CE2 3.93Å
381	A	98.7	Very high	98.2	Very high	37 Å²	37	49.8 Å²	49.8	31%	0.306	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-36.9	175.2	0	0	0	0	0	112.3	E377 E378 K384 T385 L466	E377-A381 PolarHBondContact O-N 3.48Å; E377-A381 VanDerWaalsContact O-N 3.1Å; E378-A381 PolarHBondContact O-N 2.76Å; A381-K384 PolarHBondContact O-N 2.93Å; A381-T385 PolarHBondContact O-N 2.72Å; A381-T385 VanDerWaalsContact O-N 3.08Å; A381-T385 PolarHBondContact O-OG1 3.09Å; A381-T385 VanDerWaalsContact O-OG1 3.14Å; A381-L466 HydrophobicContact CB-CD1 3.81Å; A381-L466 HydrophobicContact CB-CD2 4.06Å
382	I	98.8	Very high	98.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-45.8	173.7	-71.5	163.1	0	0	0	111.4	M374 E378 A379 K384 T385 V386 V415 F443 L466 R474 L476	M374-I382 HydrophobicContact SD-CD1 3.93Å; E378-I382 WeakPolarHBondContact O-CG1 3.22Å; E378-I382 PolarHBondContact O-N 2.79Å; A379-I382 PolarHBondContact O-N 3.18Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 2.9Å; I382-T385 PolarHBondContact O-N 2.96Å; I382-V386 PolarHBondContact O-N 2.81Å; I382-V386 VanDerWaalsContact O-N 3.14Å; I382-V415 HydrophobicContact CB-CG2 3.98Å; I382-V415 HydrophobicContact CD1-CG2 3.95Å; I382-V415 HydrophobicContact CG2-CB 3.73Å; I382-V415 HydrophobicContact CG2-CG1 3.89Å; I382-V415 HydrophobicContact CG2-CG2 3.67Å; I382-F443 HydrophobicContact CB-CZ 4.41Å; I382-F443 HydrophobicContact CG1-CE2 4.48Å; I382-F443 HydrophobicContact CG1-CZ 4.18Å; I382-F443 HydrophobicContact CG2-CZ 4.11Å; I382-L466 HydrophobicContact CG1-CD1 4.08Å; I382-L466 HydrophobicContact CG1-CD2 4.2Å; I382-L466 HydrophobicContact CG1-CG 3.96Å; I382-R474 HydrophobicContact CD1-CB 3.81Å; I382-R474 HydrophobicContact CD1-CG 3.92Å; I382-L476 HydrophobicContact CG2-CD1 4.15Å
383	E	98.5	Very high	98.2	Very high	29 Å²	29	54 Å²	54	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-53.4	-49	173.4	-176.9	-92.8	179.1	0	0	110.8	A379 A380 T385 V386 K387 A401	A379-E383 PolarHBondContact O-N 2.83Å; A380-E383 PolarHBondContact O-N 3.41Å; E383-T385 PolarHBondContact O-N 3.17Å; E383-V386 PolarHBondContact O-N 2.86Å; E383-K387 WeakPolarHBondContact O-CB 3.4Å; E383-K387 PolarHBondContact O-N 3.39Å; E383-K387 WeakPolarHBondContact OE1-CD 3.26Å; E383-K387 IonicContact OE1-NZ 3.51Å; E383-K387 PolarHBondContact OE1-NZ 3.21Å; E383-A401 HydrophobicContact CB-CB 3.88Å; E383-A401 HydrophobicContact CG-CB 3.59Å
384	K	98.6	Very high	98.1	Very high	112 Å²	112	50.9 Å²	50.9	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-57.7	-46.8	178.7	-178.7	179.2	170	-179.7	0	112	A380 A381 I382 V386 K387 E388	A380-K384 WeakPolarHBondContact O-CB 3.34Å; A380-K384 PolarHBondContact O-N 3.18Å; A381-K384 PolarHBondContact O-N 2.93Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 2.9Å; K384-V386 PolarHBondContact O-N 3.47Å; K384-K387 PolarHBondContact O-N 2.7Å; K384-E388 WeakPolarHBondContact CE-OE1 3.4Å; K384-E388 VanDerWaalsContact CE-OE2 3.28Å; K384-E388 WeakPolarHBondContact CE-OE2 3.47Å; K384-E388 HydrophobicContact CG-CG 4.26Å; K384-E388 IonicContact NZ-OE1 3.36Å; K384-E388 PolarHBondContact NZ-OE1 3.42Å; K384-E388 WeakPolarHBondContact O-CB 3.27Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 3.19Å
385	T	98.6	Very high	98.1	Very high	38 Å²	38	56.1 Å²	56.1	23%	0.233	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-42.6	179.6	-57.9	0	0	0	0	112.5	A381 I382 E383 K387 A389 L438 F443	A381-T385 PolarHBondContact O-N 2.72Å; A381-T385 VanDerWaalsContact O-N 3.08Å; A381-T385 PolarHBondContact O-OG1 3.09Å; A381-T385 VanDerWaalsContact O-OG1 3.14Å; I382-T385 PolarHBondContact O-N 2.96Å; E383-T385 PolarHBondContact O-N 3.17Å; T385-K387 VanDerWaalsContact C-N 3.34Å; T385-A389 PolarHBondContact O-N 3.43Å; T385-A389 VanDerWaalsContact O-N 3.15Å; T385-L438 HydrophobicContact CG2-CD2 4.02Å; T385-F443 HydrophobicContact CG2-CD1 4.02Å; T385-F443 HydrophobicContact CG2-CD2 3.99Å; T385-F443 HydrophobicContact CG2-CE1 4.07Å; T385-F443 HydrophobicContact CG2-CE2 4.06Å; T385-F443 HydrophobicContact CG2-CG 3.95Å; T385-F443 HydrophobicContact CG2-CZ 4.08Å
386	V	98.5	Very high	98	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-37.5	177.3	-179.5	0	0	0	0	111.2	I382 E383 K384 A389 A390 V417 I419 V434 L438 F443 L476 V478	I382-V386 PolarHBondContact O-N 2.81Å; I382-V386 VanDerWaalsContact O-N 3.14Å; E383-V386 PolarHBondContact O-N 2.86Å; K384-V386 PolarHBondContact O-N 3.47Å; V386-A389 PolarHBondContact O-N 3.44Å; V386-A390 PolarHBondContact O-N 2.95Å; V386-V417 HydrophobicContact CB-CG1 4.35Å; V386-V417 HydrophobicContact CB-CG2 4.27Å; V386-V417 HydrophobicContact CG1-CB 4.19Å; V386-V417 HydrophobicContact CG1-CG1 3.81Å; V386-V417 HydrophobicContact CG1-CG2 4.31Å; V386-V417 HydrophobicContact CG2-CG2 4.33Å; V386-I419 HydrophobicContact CG1-CD1 4.15Å; V386-V434 HydrophobicContact CG1-CG1 4.47Å; V386-L438 HydrophobicContact CB-CD1 4.47Å; V386-L438 HydrophobicContact CG1-CD1 4.29Å; V386-L438 HydrophobicContact CG2-CD1 4.06Å; V386-F443 HydrophobicContact CG2-CE1 4.16Å; V386-L476 HydrophobicContact CG2-CD1 4.15Å; V386-L476 HydrophobicContact CG2-CD2 3.76Å; V386-V478 HydrophobicContact CG1-CG2 4.31Å
387	K	98.5	Very high	98	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-44.6	177.9	177.4	168.4	-174.9	166.3	0	113.1	E383 K384 T385 A389 A390 Q391 A399	E383-K387 WeakPolarHBondContact O-CB 3.4Å; E383-K387 PolarHBondContact O-N 3.39Å; E383-K387 WeakPolarHBondContact OE1-CD 3.26Å; E383-K387 IonicContact OE1-NZ 3.51Å; E383-K387 PolarHBondContact OE1-NZ 3.21Å; K384-K387 PolarHBondContact O-N 2.7Å; T385-K387 VanDerWaalsContact C-N 3.34Å; K387-A389 VanDerWaalsContact C-N 3.3Å; K387-A389 PolarHBondContact O-N 2.97Å; K387-A390 PolarHBondContact O-N 2.94Å; K387-Q391 HydrophobicContact CG-CG 4.39Å; K387-Q391 WeakPolarHBondContact O-CB 3.45Å; K387-Q391 WeakPolarHBondContact O-CG 3.45Å; K387-Q391 PolarHBondContact O-N 2.86Å; K387-A399 HydrophobicContact CB-CB 3.95Å; K387-A399 HydrophobicContact CG-CB 4.1Å
388	E	98.4	Very high	97.9	Very high	101 Å²	101	46.4 Å²	46.4	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-40.4	174.3	-74.1	175.5	144.4	0	0	110.9	K384 A390 F392	K384-E388 WeakPolarHBondContact CE-OE1 3.4Å; K384-E388 VanDerWaalsContact CE-OE2 3.28Å; K384-E388 WeakPolarHBondContact CE-OE2 3.47Å; K384-E388 HydrophobicContact CG-CG 4.26Å; K384-E388 IonicContact NZ-OE1 3.36Å; K384-E388 PolarHBondContact NZ-OE1 3.42Å; K384-E388 WeakPolarHBondContact O-CB 3.27Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 3.19Å; E388-A390 PolarHBondContact O-N 3.09Å; E388-F392 VanDerWaalsContact O-CB 3.27Å; E388-F392 WeakPolarHBondContact O-CB 3.27Å; E388-F392 PolarHBondContact O-N 3.29Å
389	A	98.2	Very high	97.9	Very high	10 Å²	10	45.8 Å²	45.8	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-32.9	174.7	0	0	0	0	0	113.7	T385 V386 K387 L438	T385-A389 PolarHBondContact O-N 3.43Å; T385-A389 VanDerWaalsContact O-N 3.15Å; V386-A389 PolarHBondContact O-N 3.44Å; K387-A389 VanDerWaalsContact C-N 3.3Å; K387-A389 PolarHBondContact O-N 2.97Å; A389-L438 HydrophobicContact CB-CD2 3.57Å; A389-L438 HydrophobicContact CB-CG 3.93Å
390	A	97.9	Very high	97.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.7	-51.3	172.8	0	0	0	0	0	111.7	V386 K387 E388 F392 L393 D394 L397 A399 I419 V434	V386-A390 PolarHBondContact O-N 2.95Å; K387-A390 PolarHBondContact O-N 2.94Å; E388-A390 PolarHBondContact O-N 3.09Å; A390-F392 PolarHBondContact O-N 3.22Å; A390-L393 WeakPolarHBondContact O-CB 3.35Å; A390-L393 PolarHBondContact O-N 2.83Å; A390-D394 PolarHBondContact O-N 3.37Å; A390-L397 HydrophobicContact CB-CB 4.37Å; A390-L397 HydrophobicContact CB-CD1 4.38Å; A390-L397 VanDerWaalsContact O-CD1 3.32Å; A390-L397 WeakPolarHBondContact O-CD1 3.29Å; A390-A399 HydrophobicContact CB-CB 4.28Å; A390-I419 HydrophobicContact CB-CD1 4.4Å; A390-V434 HydrophobicContact CB-CG2 4.25Å
391	Q	97.4	Very high	97.8	Very high	80 Å²	80	46 Å²	46	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-69	-20.1	-176.5	-66.2	-172.4	-58.4	0	0	113.5	K387 L393 D394	K387-Q391 HydrophobicContact CG-CG 4.39Å; K387-Q391 WeakPolarHBondContact O-CB 3.45Å; K387-Q391 WeakPolarHBondContact O-CG 3.45Å; K387-Q391 PolarHBondContact O-N 2.86Å; Q391-L393 VanDerWaalsContact C-N 3.31Å; Q391-D394 CarbonylContact O-C 3.59Å
392	F	97.1	Very high	97.8	Very high	175 Å²	175	44.2 Å²	44.2	77%	0.768	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.1	168.5	-178.8	-97	0	0	0	113.4	E388 A390	E388-F392 VanDerWaalsContact O-CB 3.27Å; E388-F392 WeakPolarHBondContact O-CB 3.27Å; E388-F392 PolarHBondContact O-N 3.29Å; A390-F392 PolarHBondContact O-N 3.22Å
393	L	96.1	Very high	97.7	Very high	67 Å²	67	44.3 Å²	44.3	35%	0.351	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-39.8	177.7	-62.4	169.6	0	0	0	112.2	A390 Q391 L397 V430 K433 V434	A390-L393 WeakPolarHBondContact O-CB 3.35Å; A390-L393 PolarHBondContact O-N 2.83Å; Q391-L393 VanDerWaalsContact C-N 3.31Å; L393-L397 HydrophobicContact CB-CD1 4.47Å; L393-V430 HydrophobicContact CD1-CG1 4.49Å; L393-K433 HydrophobicContact CD1-CB 3.54Å; L393-K433 HydrophobicContact CD2-CB 4.05Å; L393-K433 HydrophobicContact CD2-CD 4.38Å; L393-K433 HydrophobicContact CG-CB 4.46Å; L393-V434 HydrophobicContact CD1-CB 4.47Å; L393-V434 HydrophobicContact CD1-CG2 3.55Å
394	D	96.9	Very high	97.7	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.251	23%	0.227	S	C	.	.			trans	-155.6	116.1	174.7	-175.6	-21.5	0	0	0	108.6	A390 Q391 G396 L397 H421 S426	A390-D394 PolarHBondContact O-N 3.37Å; Q391-D394 CarbonylContact O-C 3.59Å; D394-G396 PolarHBondContact O-N 2.99Å; D394-G396 VanDerWaalsContact O-N 3.12Å; D394-G396 PolarHBondContact OD1-N 3.42Å; D394-L397 HydrophobicContact CB-CD1 3.84Å; D394-L397 HydrophobicContact CB-CG 4.01Å; D394-L397 WeakPolarHBondContact O-CB 3.42Å; D394-L397 PolarHBondContact O-N 2.69Å; D394-H421 IonicContact OD1-NE2 3.78Å; D394-H421 IonicContact OD2-CD2 3.84Å; D394-H421 IonicContact OD2-NE2 3.59Å; D394-S426 PolarHBondContact OD2-OG 3.13Å
395	P	96.8	Very high	97.7	Very high	109 Å²	109	40.5 Å²	40.5	71%	0.708	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	179.6	-26.9	36.1	0	0	0	114.9	L397	P395-L397 VanDerWaalsContact C-N 3.26Å; P395-L397 PolarHBondContact O-N 3.31Å
396	G	96.8	Very high	97.7	Very high	29 Å²	29	39.9 Å²	39.9	30%	0.299	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9	175.4	0	0	0	0	0	114.2	D394 L398 H421 P422	D394-G396 PolarHBondContact O-N 2.99Å; D394-G396 VanDerWaalsContact O-N 3.12Å; D394-G396 PolarHBondContact OD1-N 3.42Å; G396-L398 PolarHBondContact O-N 3.01Å; G396-H421 WeakPolarHBondContact CA-NE2 3.18Å; G396-H421 PolarHBondContact O-CD2 3.01Å; G396-H421 VanDerWaalsContact O-CD2 3.25Å; G396-P422 WeakPolarHBondContact O-CD 3.48Å
397	L	97.8	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.			trans	-66.5	124.9	178.6	-80.4	163.9	0	0	0	111.6	A390 L393 D394 P395 I419 H421 V430	A390-L397 HydrophobicContact CB-CB 4.37Å; A390-L397 HydrophobicContact CB-CD1 4.38Å; A390-L397 VanDerWaalsContact O-CD1 3.32Å; A390-L397 WeakPolarHBondContact O-CD1 3.29Å; L393-L397 HydrophobicContact CB-CD1 4.47Å; D394-L397 HydrophobicContact CB-CD1 3.84Å; D394-L397 HydrophobicContact CB-CG 4.01Å; D394-L397 WeakPolarHBondContact O-CB 3.42Å; D394-L397 PolarHBondContact O-N 2.69Å; P395-L397 VanDerWaalsContact C-N 3.26Å; P395-L397 PolarHBondContact O-N 3.31Å; L397-I419 HydrophobicContact CD2-CG2 4.07Å; L397-H421 HydrophobicContact CD2-CB 3.99Å; L397-H421 PolarHBondContact N-CD2 3.31Å; L397-V430 HydrophobicContact CD1-CB 4.43Å; L397-V430 HydrophobicContact CD1-CG1 3.61Å; L397-V430 HydrophobicContact CD1-CG2 3.9Å; L397-V430 HydrophobicContact CD2-CG1 4.08Å; L397-V430 HydrophobicContact CD2-CG2 4.12Å
398	L	97	Very high	97.5	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.7	168	-48.9	-171.1	0	0	0	107.9	L194 L197 G396 I419 S420 P422 Y483	L194-L398 HydrophobicContact CD1-CD1 3.58Å; L194-L398 HydrophobicContact CD1-CD2 3.49Å; L194-L398 VanDerWaalsContact CD1-CD2 3.49Å; L194-L398 HydrophobicContact CD1-CG 4.17Å; L194-L398 HydrophobicContact CD2-CD2 3.88Å; L194-L398 HydrophobicContact CG-CD2 4.35Å; L197-L398 HydrophobicContact CD2-CD1 4.01Å; G396-L398 PolarHBondContact O-N 3.01Å; L398-I419 CarbonylContact O-C 3.6Å; L398-I419 WeakPolarHBondContact O-CA 3.16Å; L398-S420 PolarHBondContact N-O 3.19Å; L398-S420 PolarHBondContact O-N 3.29Å; L398-P422 HydrophobicContact CD1-CG 4.18Å; L398-P422 HydrophobicContact CD2-CG 4.25Å; L398-P422 HydrophobicContact CG-CG 4.16Å; L398-Y483 HydrophobicContact CD1-CE2 3.99Å
399	A	97.6	Very high	97.4	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.2	166.1	0	0	0	0	0	108.5	K387 A390 V417 L418 I419	K387-A399 HydrophobicContact CB-CB 3.95Å; K387-A399 HydrophobicContact CG-CB 4.1Å; A390-A399 HydrophobicContact CB-CB 4.28Å; A399-V417 HydrophobicContact CB-CG1 4.37Å; A399-L418 WeakPolarHBondContact CA-O 3.26Å; A399-I419 HydrophobicContact CB-CG1 4.01Å
400	M	97.1	Very high	97.3	Very high	28 Å²	28	44.3 Å²	44.3	14%	0.138	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140	179.6	68.9	-173.4	-58.6	0	0	112.7	V417 L418 F486 L490	M400-V417 WeakPolarHBondContact O-CA 3.4Å; M400-L418 HydrophobicContact CG-CB 4.36Å; M400-L418 PolarHBondContact N-O 3.35Å; M400-L418 PolarHBondContact O-N 3.46Å; M400-F486 HydrophobicContact SD-CE1 4.42Å; M400-F486 HydrophobicContact SD-CZ 3.7Å; M400-L490 HydrophobicContact CE-CD1 3.82Å; M400-L490 HydrophobicContact CE-CD2 4.39Å; M400-L490 HydrophobicContact SD-CD1 3.7Å; M400-L490 HydrophobicContact SD-CD2 4.19Å
401	A	98.3	Very high	97.3	Very high	6 Å²	6	47 Å²	47	5%	0.05	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.3	169.2	0	0	0	0	0	111.7	E383 Y405 V415 D416	E383-A401 HydrophobicContact CB-CB 3.88Å; E383-A401 HydrophobicContact CG-CB 3.59Å; A401-Y405 HydrophobicContact CB-CD1 3.44Å; A401-Y405 VanDerWaalsContact CB-CD1 3.44Å; A401-Y405 HydrophobicContact CB-CE1 3.99Å; A401-Y405 HydrophobicContact CB-CG 4.02Å; A401-V415 HydrophobicContact CB-CG1 4.2Å; A401-D416 CarbonylContact C-O 3.6Å; A401-D416 WeakPolarHBondContact CA-O 3.48Å
402	C	98.6	Very high	97.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.			trans	-107.6	-137.4	179.4	-64	0	0	0	0	108.8	Y405 R406 D416 L418 F493	C402-Y405 WeakPolarHBondContact O-CB 3.36Å; C402-Y405 PolarHBondContact O-N 3.48Å; C402-R406 PolarHBondContact O-N 2.75Å; C402-D416 HydrophobicContact CB-CB 4.03Å; C402-D416 WeakPolarHBondContact CB-O 3.38Å; C402-D416 PolarHBondContact N-O 3.38Å; C402-L418 VanDerWaalsContact SG-CB 3.56Å; C402-F493 HydrophobicContact CB-CB 3.82Å; C402-F493 HydrophobicContact CB-CD2 3.8Å; C402-F493 HydrophobicContact CB-CG 3.97Å
403	G	97.9	Very high	97.3	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	63.7	-152	164.9	0	0	0	0	0	116	Y405 R406 R407 D416 F493	G403-Y405 PolarHBondContact O-N 3.48Å; G403-R406 PolarHBondContact O-N 2.74Å; G403-R407 WeakPolarHBondContact O-CG 3.39Å; G403-R407 PolarHBondContact O-N 2.95Å; G403-R407 PolarHBondContact O-NH1 2.6Å; G403-D416 WeakPolarHBondContact CA-OD2 3.39Å; G403-F493 VanDerWaalsContact CA-O 3.26Å; G403-F493 WeakPolarHBondContact CA-O 3.45Å; G403-F493 PolarHBondContact N-O 2.96Å
404	S	97.8	Very high	97.4	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-24.9	171.9	56.7	0	0	0	0	113.1	K409 C412	S404-K409 WeakPolarHBondContact O-CB 3.26Å; S404-K409 PolarHBondContact O-N 2.82Å; S404-K409 VanDerWaalsContact O-N 3.16Å; S404-C412 WeakPolarHBondContact OG-CA 3.36Å
405	Y	98.5	Very high	97.5	Very high	53 Å²	53	33.3 Å²	33.3	21%	0.208	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-53.2	174.7	-176.4	-96	0	0	0	112.3	R376 A379 A380 A401 C402 G403 R407 G408	R376-Y405 HydrophobicContact CG-CD2 3.98Å; R376-Y405 HydrophobicContact CG-CE2 3.75Å; R376-Y405 VanDerWaalsContact CZ-O 3.29Å; R376-Y405 PolarHBondContact NH1-O 2.87Å; R376-Y405 PolarHBondContact NH2-O 2.62Å; A379-Y405 HydrophobicContact CB-CD2 3.87Å; A379-Y405 HydrophobicContact CB-CE2 4.45Å; A380-Y405 HydrophobicContact CB-CE2 3.93Å; A401-Y405 HydrophobicContact CB-CD1 3.44Å; A401-Y405 VanDerWaalsContact CB-CD1 3.44Å; A401-Y405 HydrophobicContact CB-CE1 3.99Å; A401-Y405 HydrophobicContact CB-CG 4.02Å; C402-Y405 WeakPolarHBondContact O-CB 3.36Å; C402-Y405 PolarHBondContact O-N 3.48Å; G403-Y405 PolarHBondContact O-N 3.48Å; Y405-R407 VanDerWaalsContact C-N 3.28Å; Y405-R407 PolarHBondContact O-N 3.1Å; Y405-G408 PolarHBondContact O-N 2.95Å
406	R	98.3	Very high	97.6	Very high	24 Å²	24	29 Å²	29	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-29.1	179.2	-172.2	164.7	177.9	-103	0.3	112.5	C402 G403 G408 T494 E542 P556	C402-R406 PolarHBondContact O-N 2.75Å; G403-R406 PolarHBondContact O-N 2.74Å; R406-G408 PolarHBondContact O-N 2.85Å; R406-T494 HydrophobicContact CB-CG2 4.35Å; R406-T494 HydrophobicContact CG-CG2 4.25Å; R406-T494 PolarHBondContact NH1-OG1 2.77Å; R406-E542 IonicContact CZ-OE1 2.85Å; R406-E542 IonicContact CZ-OE2 3.65Å; R406-E542 VanDerWaalsContact NH1-CD 3.26Å; R406-E542 IonicContact NH1-OE1 3.63Å; R406-E542 PolarHBondContact NH1-OE1 3.36Å; R406-E542 IonicContact NH1-OE2 3.26Å; R406-E542 PolarHBondContact NH1-OE2 2.77Å; R406-E542 VanDerWaalsContact NH1-OE2 3.09Å; R406-E542 IonicContact NH2-OE1 3.17Å; R406-E542 IonicContact NH2-OE2 3.95Å; R406-E542 PolarHBondContact NH2-OE2 2.93Å; R406-P556 HydrophobicContact CG-CB 3.96Å; R406-P556 HydrophobicContact CG-CG 4.04Å; R406-P556 VanDerWaalsContact O-CB 3.26Å; R406-P556 WeakPolarHBondContact O-CB 3.47Å
407	R	97.2	Very high	97.7	Very high	37 Å²	37	27.7 Å²	27.7	14%	0.14	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	8.4	170	-57.9	-159.8	-48.5	-71.5	-3.5	114.8	G403 Y405 T494 P556 D560	G403-R407 WeakPolarHBondContact O-CG 3.39Å; G403-R407 PolarHBondContact O-N 2.95Å; G403-R407 PolarHBondContact O-NH1 2.6Å; Y405-R407 VanDerWaalsContact C-N 3.28Å; Y405-R407 PolarHBondContact O-N 3.1Å; R407-T494 WeakPolarHBondContact CD-O 3.46Å; R407-T494 HydrophobicContact CG-CG2 3.81Å; R407-T494 WeakPolarHBondContact CG-O 3.39Å; R407-T494 PolarHBondContact NH1-O 3.15Å; R407-P556 VanDerWaalsContact CG-O 3.31Å; R407-P556 WeakPolarHBondContact CG-O 3.2Å; R407-D560 IonicContact CZ-OD1 3.48Å; R407-D560 VanDerWaalsContact CZ-OD1 3.3Å; R407-D560 IonicContact NE-OD1 2.69Å; R407-D560 PolarHBondContact NE-OD1 3.01Å; R407-D560 IonicContact NH2-OD1 3.12Å; R407-D560 PolarHBondContact NH2-OD1 2.98Å
408	G	95.9	Very high	97.7	Very high	31 Å²	31	27.7 Å²	27.7	32%	0.32	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	29.7	170.4	0	0	0	0	0	115.1	Y405 R406	Y405-G408 PolarHBondContact O-N 2.95Å; R406-G408 PolarHBondContact O-N 2.85Å
409	K	95.4	Very high	97.7	Very high	71 Å²	71	26.6 Å²	26.6	31%	0.309	15%	0.147	S	C	.	.			trans	-79.1	147.3	175.1	-63.7	-60	-175.1	-179.2	0	112.9	R376 S404 T411 D560	R376-K409 WeakPolarHBondContact CD-O 3.48Å; R376-K409 PolarHBondContact NH1-O 3.17Å; S404-K409 WeakPolarHBondContact O-CB 3.26Å; S404-K409 PolarHBondContact O-N 2.82Å; S404-K409 VanDerWaalsContact O-N 3.16Å; K409-T411 VanDerWaalsContact C-N 3.31Å; K409-T411 WeakPolarHBondContact CB-O 3.29Å; K409-D560 VanDerWaalsContact CE-OD1 3.29Å; K409-D560 WeakPolarHBondContact CE-OD1 3.29Å; K409-D560 WeakPolarHBondContact CE-OD2 3.27Å; K409-D560 IonicContact NZ-OD1 3.86Å; K409-D560 IonicContact NZ-OD2 2.72Å; K409-D560 PolarHBondContact NZ-OD2 2.67Å
410	D	97	Very high	97.7	Very high	132 Å²	132	26.3 Å²	26.3	71%	0.706	14%	0.144	S	C	*	.	S	Bend	trans	-73.9	-23.9	177.5	-36	-72.8	0	0	0	112.3	R376	R376-D410 WeakPolarHBondContact CB-O 3.23Å; R376-D410 PolarHBondContact N-O 3.04Å
411	T	98.1	Very high	97.8	Very high	57 Å²	57	26 Å²	26	35%	0.35	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.6	171.8	62.6	0	0	0	0	111.3	R373 M374 K409	R373-T411 PolarHBondContact NE-OG1 2.9Å; R373-T411 PolarHBondContact NH2-O 3.05Å; M374-T411 CarbonylContact O-C 3.51Å; M374-T411 WeakPolarHBondContact O-CA 3.31Å; M374-T411 WeakPolarHBondContact O-CB 3.42Å; K409-T411 VanDerWaalsContact C-N 3.31Å; K409-T411 WeakPolarHBondContact CB-O 3.29Å
412	C	98.1	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	157.6	175.4	-57	0	0	0	0	109.8	R373 M374 A379 S404 D414	R373-C412 CarbonylContact C-O 3.59Å; R373-C412 VanDerWaalsContact CA-O 3.25Å; R373-C412 WeakPolarHBondContact CA-O 3.49Å; R373-C412 WeakPolarHBondContact CB-O 3.46Å; M374-C412 HydrophobicContact CE-CB 4.47Å; M374-C412 HydrophobicContact CG-CB 3.86Å; M374-C412 PolarHBondContact N-O 3.07Å; M374-C412 PolarHBondContact O-N 3.33Å; M374-C412 HydrophobicContact SD-CB 4.33Å; A379-C412 HydrophobicContact CB-CB 4.09Å; S404-C412 WeakPolarHBondContact OG-CA 3.36Å; C412-D414 WeakPolarHBondContact CB-O 3.48Å
413	G	96.6	Very high	97.5	Very high	19 Å²	19	30.1 Å²	30.1	20%	0.196	17%	0.165	C	C	.	.	S	Bend	trans	-98.8	-34.8	170	0	0	0	0	0	111.4	M374	M374-G413 WeakPolarHBondContact CE-O 3.44Å
414	D	97.9	Very high	97.2	Very high	61 Å²	61	31.1 Å²	31.1	33%	0.326	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	162.8	-175.8	28.2	25.7	0	0	0	108.8	C412 R475	C412-D414 WeakPolarHBondContact CB-O 3.48Å; D414-R475 CarbonylContact C-O 3.45Å; D414-R475 WeakPolarHBondContact CA-O 3.44Å; D414-R475 HydrophobicContact CB-CB 4.06Å
415	V	98.6	Very high	97.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.5	166	-169.1	0	0	0	0	109	M374 A379 I382 A401 V417 R475 L476 D477	M374-V415 HydrophobicContact CE-CG2 3.89Å; M374-V415 HydrophobicContact SD-CG2 3.6Å; M374-V415 VanDerWaalsContact SD-CG2 3.6Å; A379-V415 HydrophobicContact CB-CG2 3.86Å; I382-V415 HydrophobicContact CB-CG2 3.98Å; I382-V415 HydrophobicContact CD1-CG2 3.95Å; I382-V415 HydrophobicContact CG2-CB 3.73Å; I382-V415 HydrophobicContact CG2-CG1 3.89Å; I382-V415 HydrophobicContact CG2-CG2 3.67Å; A401-V415 HydrophobicContact CB-CG1 4.2Å; V415-V417 HydrophobicContact CG1-CG2 3.97Å; V415-R475 PolarHBondContact N-O 3.14Å; V415-L476 HydrophobicContact CB-CD1 4.28Å; V415-L476 WeakPolarHBondContact O-CD1 3.47Å; V415-D477 PolarHBondContact O-N 3.43Å
416	D	98.6	Very high	96.9	Very high	20 Å²	20	37.7 Å²	37.7	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	98.7	-178	-68.4	-54.7	0	0	0	109.2	A401 C402 G403 F493	A401-D416 CarbonylContact C-O 3.6Å; A401-D416 WeakPolarHBondContact CA-O 3.48Å; C402-D416 HydrophobicContact CB-CB 4.03Å; C402-D416 WeakPolarHBondContact CB-O 3.38Å; C402-D416 PolarHBondContact N-O 3.38Å; G403-D416 WeakPolarHBondContact CA-OD2 3.39Å; D416-F493 HydrophobicContact CB-CD1 3.96Å; D416-F493 HydrophobicContact CB-CD2 3.86Å; D416-F493 HydrophobicContact CB-CE1 3.67Å; D416-F493 HydrophobicContact CB-CE2 3.59Å; D416-F493 HydrophobicContact CB-CG 4.05Å; D416-F493 HydrophobicContact CB-CZ 3.49Å; D416-F493 VanDerWaalsContact CB-CZ 3.49Å; D416-F493 WeakPolarHBondContact OD1-CE1 3.42Å; D416-F493 WeakPolarHBondContact OD1-CZ 3.43Å
417	V	98.6	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.4	-178.4	-171.6	0	0	0	0	111.9	V386 A399 M400 V415 I419 L476 D477 V478 I479	V386-V417 HydrophobicContact CB-CG1 4.35Å; V386-V417 HydrophobicContact CB-CG2 4.27Å; V386-V417 HydrophobicContact CG1-CB 4.19Å; V386-V417 HydrophobicContact CG1-CG1 3.81Å; V386-V417 HydrophobicContact CG1-CG2 4.31Å; V386-V417 HydrophobicContact CG2-CG2 4.33Å; A399-V417 HydrophobicContact CB-CG1 4.37Å; M400-V417 WeakPolarHBondContact O-CA 3.4Å; V415-V417 HydrophobicContact CG1-CG2 3.97Å; V417-I419 HydrophobicContact CG1-CG1 4.14Å; V417-L476 HydrophobicContact CG2-CD1 3.85Å; V417-D477 PolarHBondContact N-O 2.94Å; V417-V478 HydrophobicContact CB-CG2 4.4Å; V417-V478 WeakPolarHBondContact O-CA 3.44Å; V417-I479 PolarHBondContact O-N 2.97Å
418	L	98.4	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.9	171.1	172.4	61.3	0	0	0	109.7	A399 M400 C402 I479 V481 F486 L490 F493	A399-L418 WeakPolarHBondContact CA-O 3.26Å; M400-L418 HydrophobicContact CG-CB 4.36Å; M400-L418 PolarHBondContact N-O 3.35Å; M400-L418 PolarHBondContact O-N 3.46Å; C402-L418 VanDerWaalsContact SG-CB 3.56Å; L418-I479 HydrophobicContact CB-CG1 4.33Å; L418-I479 HydrophobicContact CD1-CD1 3.89Å; L418-I479 HydrophobicContact CD1-CG1 3.71Å; L418-V481 HydrophobicContact CD1-CG1 4.14Å; L418-V481 HydrophobicContact CD1-CG2 3.67Å; L418-F486 HydrophobicContact CD1-CD2 4.43Å; L418-F486 HydrophobicContact CD1-CE2 4.48Å; L418-F486 HydrophobicContact CD2-CD2 3.82Å; L418-F486 HydrophobicContact CD2-CE2 3.49Å; L418-F486 VanDerWaalsContact CD2-CE2 3.49Å; L418-F486 HydrophobicContact CD2-CZ 3.91Å; L418-F486 HydrophobicContact CG-CD2 4.13Å; L418-F486 HydrophobicContact CG-CE2 3.73Å; L418-F486 HydrophobicContact CG-CZ 4.49Å; L418-L490 HydrophobicContact CD2-CB 3.65Å; L418-L490 HydrophobicContact CD2-CD1 4.06Å; L418-L490 HydrophobicContact CD2-CG 4.41Å; L418-F493 HydrophobicContact CB-CD2 4.24Å
419	I	98.2	Very high	96.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.8	177.4	-58.6	-179.8	0	0	0	110.4	V386 A390 L397 L398 A399 V417 V430 V434 V478 I479 V480 V481	V386-I419 HydrophobicContact CG1-CD1 4.15Å; A390-I419 HydrophobicContact CB-CD1 4.4Å; L397-I419 HydrophobicContact CD2-CG2 4.07Å; L398-I419 CarbonylContact O-C 3.6Å; L398-I419 WeakPolarHBondContact O-CA 3.16Å; A399-I419 HydrophobicContact CB-CG1 4.01Å; V417-I419 HydrophobicContact CG1-CG1 4.14Å; I419-V430 HydrophobicContact CG2-CG1 4.49Å; I419-V434 HydrophobicContact CD1-CG1 4.39Å; I419-V478 HydrophobicContact CD1-CG1 3.58Å; I419-V478 HydrophobicContact CG1-CG1 4.13Å; I419-I479 PolarHBondContact N-O 3.11Å; I419-V480 HydrophobicContact CB-CG2 3.86Å; I419-V480 HydrophobicContact CD1-CG2 4.44Å; I419-V480 HydrophobicContact CG2-CG2 4.02Å; I419-V480 WeakPolarHBondContact O-CA 3.47Å; I419-V481 PolarHBondContact O-N 3.11Å
420	S	97.5	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	176.6	171.4	-162.9	0	0	0	0	111.2	L398 V481 Y483	L398-S420 PolarHBondContact N-O 3.19Å; L398-S420 PolarHBondContact O-N 3.29Å; S420-V481 WeakPolarHBondContact CB-O 3.04Å; S420-V481 PolarHBondContact OG-O 3.3Å; S420-Y483 PolarHBondContact OG-N 3.45Å
421	H	97.4	Very high	95.8	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.097	18%	0.183	C	C	.	.			trans	-135.3	131.7	177.4	-168	-85.9	0	0	0	111.1	D394 G396 L397 D423 G424 H427 Y483	D394-H421 IonicContact OD1-NE2 3.78Å; D394-H421 IonicContact OD2-CD2 3.84Å; D394-H421 IonicContact OD2-NE2 3.59Å; G396-H421 WeakPolarHBondContact CA-NE2 3.18Å; G396-H421 PolarHBondContact O-CD2 3.01Å; G396-H421 VanDerWaalsContact O-CD2 3.25Å; L397-H421 HydrophobicContact CD2-CB 3.99Å; L397-H421 PolarHBondContact N-CD2 3.31Å; H421-D423 VanDerWaalsContact C-N 3.28Å; H421-D423 IonicContact CE1-OD1 3.64Å; H421-D423 IonicContact CG-OD1 3.56Å; H421-D423 VanDerWaalsContact ND1-CG 3.26Å; H421-D423 PolarHBondContact ND1-N 3.36Å; H421-D423 IonicContact ND1-OD1 2.7Å; H421-D423 PolarHBondContact ND1-OD1 2.87Å; H421-D423 PolarHBondContact O-N 2.97Å; H421-D423 VanDerWaalsContact O-N 3.15Å; H421-G424 PolarHBondContact O-N 3.09Å; H421-G424 VanDerWaalsContact O-N 3.11Å; H421-H427 HydrophobicContact CB-CB 4.21Å; H421-Y483 WeakPolarHBondContact O-CB 3.48Å
422	P	95.7	Very high	95.5	Very high	27 Å²	27	33.2 Å²	33.2	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.4	-169.2	-25.1	35.3	0	0	0	116.4	V189 G396 L398 G424 Y483	V189-P422 HydrophobicContact CB-CB 4.02Å; V189-P422 HydrophobicContact CG1-CB 4.06Å; V189-P422 HydrophobicContact CG2-CB 3.88Å; G396-P422 WeakPolarHBondContact O-CD 3.48Å; L398-P422 HydrophobicContact CD1-CG 4.18Å; L398-P422 HydrophobicContact CD2-CG 4.25Å; L398-P422 HydrophobicContact CG-CG 4.16Å; P422-G424 PolarHBondContact O-N 2.88Å; P422-Y483 HydrophobicContact CB-CE1 4.27Å; P422-Y483 HydrophobicContact CB-CE2 4.22Å; P422-Y483 HydrophobicContact CG-CE2 4.36Å; P422-Y483 WeakPolarHBondContact O-CD1 3.42Å
423	D	95.4	Very high	95.4	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.353	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.4	177.3	85.2	-36.8	0	0	0	114.2	H421 K425 S426	H421-D423 VanDerWaalsContact C-N 3.28Å; H421-D423 IonicContact CE1-OD1 3.64Å; H421-D423 IonicContact CG-OD1 3.56Å; H421-D423 VanDerWaalsContact ND1-CG 3.26Å; H421-D423 PolarHBondContact ND1-N 3.36Å; H421-D423 IonicContact ND1-OD1 2.7Å; H421-D423 PolarHBondContact ND1-OD1 2.87Å; H421-D423 PolarHBondContact O-N 2.97Å; H421-D423 VanDerWaalsContact O-N 3.15Å; D423-K425 VanDerWaalsContact C-N 3.25Å; D423-K425 VanDerWaalsContact CG-N 3.32Å; D423-K425 PolarHBondContact O-N 3.18Å; D423-K425 PolarHBondContact OD1-N 2.76Å; D423-K425 VanDerWaalsContact OD2-CB 3.32Å; D423-K425 WeakPolarHBondContact OD2-CB 3.29Å; D423-S426 PolarHBondContact OD1-N 2.96Å; D423-S426 PolarHBondContact OD2-N 2.91Å
424	G	92.7	Very high	95.3	Very high	24 Å²	24	37.9 Å²	37.9	25%	0.247	20%	0.202	C	C	.	.	S	Bend	trans	72.9	2.2	-175.3	0	0	0	0	0	115.8	H421 P422 H427	H421-G424 PolarHBondContact O-N 3.09Å; H421-G424 VanDerWaalsContact O-N 3.11Å; P422-G424 PolarHBondContact O-N 2.88Å; G424-H427 PolarHBondContact O-CE1 2.65Å; G424-H427 PolarHBondContact O-ND1 3.24Å
425	K	93.9	Very high	95.2	Very high	150 Å²	150	35.5 Å²	35.5	65%	0.652	19%	0.19	S	C	*	.	S	Bend	trans	-127.6	-46.3	-174	-50	164	-174.6	166.5	0	113.6	D423 H427 R428	D423-K425 VanDerWaalsContact C-N 3.25Å; D423-K425 VanDerWaalsContact CG-N 3.32Å; D423-K425 PolarHBondContact O-N 3.18Å; D423-K425 PolarHBondContact OD1-N 2.76Å; D423-K425 VanDerWaalsContact OD2-CB 3.32Å; D423-K425 WeakPolarHBondContact OD2-CB 3.29Å; K425-H427 PolarHBondContact O-N 3Å; K425-R428 WeakPolarHBondContact O-CB 3.38Å; K425-R428 VanDerWaalsContact O-CG 3.25Å; K425-R428 WeakPolarHBondContact O-CG 3.45Å; K425-R428 PolarHBondContact O-N 3.07Å
426	S	95.1	Very high	95.1	Very high	49 Å²	49	40.8 Å²	40.8	34%	0.343	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	-176.8	-85.5	0	0	0	0	114.7	D394 D423 R428 V430	D394-S426 PolarHBondContact OD2-OG 3.13Å; D423-S426 PolarHBondContact OD1-N 2.96Å; D423-S426 PolarHBondContact OD2-N 2.91Å; S426-R428 PolarHBondContact O-N 2.92Å; S426-V430 WeakPolarHBondContact O-CG2 3.47Å
427	H	93.6	Very high	95	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.032	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22	170.7	77.6	-83.5	0	0	0	113.4	H421 G424 K425 G429 V430 V480	H421-H427 HydrophobicContact CB-CB 4.21Å; G424-H427 PolarHBondContact O-CE1 2.65Å; G424-H427 PolarHBondContact O-ND1 3.24Å; K425-H427 PolarHBondContact O-N 3Å; H427-G429 PolarHBondContact O-N 3.1Å; H427-V430 WeakPolarHBondContact O-CB 3.36Å; H427-V430 PolarHBondContact O-N 2.92Å; H427-V480 HydrophobicContact CB-CG1 4.19Å
428	R	91.9	Very high	94.9	Very high	140 Å²	140	41.7 Å²	41.7	53%	0.528	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	124.2	-176.9	-66.9	174	-173.2	-81.8	-12.1	110.9	K425 S426 V430 E456	K425-R428 WeakPolarHBondContact O-CB 3.38Å; K425-R428 VanDerWaalsContact O-CG 3.25Å; K425-R428 WeakPolarHBondContact O-CG 3.45Å; K425-R428 PolarHBondContact O-N 3.07Å; S426-R428 PolarHBondContact O-N 2.92Å; R428-V430 PolarHBondContact O-N 3.29Å; R428-E456 IonicContact CZ-OE1 3.7Å; R428-E456 IonicContact CZ-OE2 2.79Å; R428-E456 IonicContact NH1-OE1 2.87Å; R428-E456 PolarHBondContact NH1-OE1 3.01Å; R428-E456 IonicContact NH1-OE2 2.69Å; R428-E456 IonicContact NH2-OE1 2.76Å; R428-E456 PolarHBondContact NH2-OE1 3.23Å; R428-E456 IonicContact NH2-OE2 3.15Å; R428-E456 PolarHBondContact NH2-OE2 2.86Å
429	G	89.8	Confident	94.9	Very high	33 Å²	33	45.1 Å²	45.1	34%	0.34	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	2.9	179.1	0	0	0	0	0	115.4	H427	H427-G429 PolarHBondContact O-N 3.1Å
430	V	92.6	Very high	94.8	Very high	9 Å²	9	52 Å²	52	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-40.6	174	168.9	0	0	0	0	111.4	L393 L397 I419 S426 H427 R428 S432 K433 V434	L393-V430 HydrophobicContact CD1-CG1 4.49Å; L397-V430 HydrophobicContact CD1-CB 4.43Å; L397-V430 HydrophobicContact CD1-CG1 3.61Å; L397-V430 HydrophobicContact CD1-CG2 3.9Å; L397-V430 HydrophobicContact CD2-CG1 4.08Å; L397-V430 HydrophobicContact CD2-CG2 4.12Å; I419-V430 HydrophobicContact CG2-CG1 4.49Å; S426-V430 WeakPolarHBondContact O-CG2 3.47Å; H427-V430 WeakPolarHBondContact O-CB 3.36Å; H427-V430 PolarHBondContact O-N 2.92Å; R428-V430 PolarHBondContact O-N 3.29Å; V430-S432 PolarHBondContact O-N 3.15Å; V430-K433 WeakPolarHBondContact O-CB 3.37Å; V430-K433 PolarHBondContact O-N 3.22Å; V430-V434 HydrophobicContact CG1-CG2 3.6Å; V430-V434 WeakPolarHBondContact O-CG2 3.46Å; V430-V434 PolarHBondContact O-N 3.07Å
431	F	92.8	Very high	94.8	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.022	30%	0.297	C	S	.	.	H	α-helix	trans	-46.3	-55.3	-175.9	-178.3	-93.8	0	0	0	113.9	K433 V434 L435 S450 H451 K458 K459 V480	F431-K433 PolarHBondContact O-N 2.9Å; F431-V434 PolarHBondContact O-N 2.85Å; F431-L435 HydrophobicContact CD1-CD1 4.06Å; F431-L435 HydrophobicContact CE1-CD1 3.54Å; F431-L435 HydrophobicContact CE2-CD1 4.35Å; F431-L435 HydrophobicContact CZ-CD1 3.71Å; F431-L435 WeakPolarHBondContact O-CG 3.34Å; F431-L435 PolarHBondContact O-N 3.4Å; F431-L435 VanDerWaalsContact O-N 3.16Å; F431-S450 VanDerWaalsContact CE1-O 3.29Å; F431-S450 WeakPolarHBondContact CE1-O 3.38Å; F431-S450 WeakPolarHBondContact CZ-O 3.49Å; F431-H451 AromaticContact CE1-ND1 3.88Å; F431-K458 HydrophobicContact CB-CB 4.17Å; F431-K458 HydrophobicContact CB-CD 3.89Å; F431-K458 HydrophobicContact CD1-CB 4Å; F431-K458 HydrophobicContact CD1-CD 4.16Å; F431-K458 HydrophobicContact CD2-CB 3.57Å; F431-K458 HydrophobicContact CE1-CB 4.26Å; F431-K458 HydrophobicContact CE2-CB 3.86Å; F431-K458 WeakPolarHBondContact CE2-O 3.21Å; F431-K458 HydrophobicContact CG-CB 3.64Å; F431-K458 HydrophobicContact CG-CD 4.05Å; F431-K458 HydrophobicContact CG-CG 4.49Å; F431-K458 HydrophobicContact CZ-CB 4.19Å; F431-K459 VanDerWaalsContact CZ-C 3.48Å; F431-V480 HydrophobicContact CB-CB 4.22Å; F431-V480 HydrophobicContact CB-CG2 3.9Å; F431-V480 HydrophobicContact CD2-CB 4.14Å; F431-V480 HydrophobicContact CD2-CG2 3.82Å; F431-V480 HydrophobicContact CG-CG2 4.37Å
432	S	92.2	Very high	94.8	Very high	64 Å²	64	57.1 Å²	57.1	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-68.1	-34.8	-179.2	46.2	0	0	0	0	113	V430 Q436	V430-S432 PolarHBondContact O-N 3.15Å; S432-Q436 VanDerWaalsContact O-CB 3.22Å; S432-Q436 WeakPolarHBondContact O-CB 3.32Å; S432-Q436 PolarHBondContact O-N 3.38Å
433	K	95.1	Very high	94.9	Very high	116 Å²	116	56.3 Å²	56.3	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-42.2	177.2	-64.1	176.1	-178.9	178.3	0	112	L393 V430 F431 Q436 S437	L393-K433 HydrophobicContact CD1-CB 3.54Å; L393-K433 HydrophobicContact CD2-CB 4.05Å; L393-K433 HydrophobicContact CD2-CD 4.38Å; L393-K433 HydrophobicContact CG-CB 4.46Å; V430-K433 WeakPolarHBondContact O-CB 3.37Å; V430-K433 PolarHBondContact O-N 3.22Å; F431-K433 PolarHBondContact O-N 2.9Å; K433-Q436 PolarHBondContact O-N 3.32Å; K433-S437 WeakPolarHBondContact O-CB 3.41Å; K433-S437 PolarHBondContact O-N 3.32Å
434	V	95.9	Very high	95	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-51.1	176.4	172.4	0	0	0	0	110	V386 A390 L393 I419 V430 F431 Q436 S437 L438	V386-V434 HydrophobicContact CG1-CG1 4.47Å; A390-V434 HydrophobicContact CB-CG2 4.25Å; L393-V434 HydrophobicContact CD1-CB 4.47Å; L393-V434 HydrophobicContact CD1-CG2 3.55Å; I419-V434 HydrophobicContact CD1-CG1 4.39Å; V430-V434 HydrophobicContact CG1-CG2 3.6Å; V430-V434 WeakPolarHBondContact O-CG2 3.46Å; V430-V434 PolarHBondContact O-N 3.07Å; F431-V434 PolarHBondContact O-N 2.85Å; V434-Q436 PolarHBondContact O-N 3.16Å; V434-S437 PolarHBondContact O-N 3.33Å; V434-L438 HydrophobicContact CG1-CD1 3.74Å; V434-L438 HydrophobicContact CG1-CG 4.38Å; V434-L438 VanDerWaalsContact O-CG 3.3Å; V434-L438 WeakPolarHBondContact O-CG 3.49Å; V434-L438 PolarHBondContact O-N 2.92Å
435	L	95.4	Very high	95.3	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-45.1	177.5	-63.8	178.5	0	0	0	111.6	F431 S437 L438 H439 L444 Y460	F431-L435 HydrophobicContact CD1-CD1 4.06Å; F431-L435 HydrophobicContact CE1-CD1 3.54Å; F431-L435 HydrophobicContact CE2-CD1 4.35Å; F431-L435 HydrophobicContact CZ-CD1 3.71Å; F431-L435 WeakPolarHBondContact O-CG 3.34Å; F431-L435 PolarHBondContact O-N 3.4Å; F431-L435 VanDerWaalsContact O-N 3.16Å; L435-S437 VanDerWaalsContact C-N 3.33Å; L435-S437 PolarHBondContact O-N 2.91Å; L435-L438 PolarHBondContact O-N 3.09Å; L435-H439 PolarHBondContact O-CD2 3.37Å; L435-H439 PolarHBondContact O-N 2.72Å; L435-L444 HydrophobicContact CD2-CD1 3.89Å; L435-Y460 HydrophobicContact CD1-CD2 3.5Å; L435-Y460 HydrophobicContact CD1-CE2 4.14Å; L435-Y460 HydrophobicContact CD1-CG 4.03Å; L435-Y460 HydrophobicContact CD2-CD1 3.83Å; L435-Y460 HydrophobicContact CD2-CD2 3.56Å; L435-Y460 HydrophobicContact CD2-CE1 4.12Å; L435-Y460 HydrophobicContact CD2-CE2 3.87Å; L435-Y460 HydrophobicContact CD2-CG 3.54Å; L435-Y460 HydrophobicContact CG-CD2 4.18Å; L435-Y460 HydrophobicContact CG-CG 4.44Å
436	Q	95.3	Very high	95.4	Very high	112 Å²	112	48.5 Å²	48.5	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-56.5	-44.9	176.8	-177.9	177.4	6.8	0	0	112.3	S432 K433 V434 H439 Q440	S432-Q436 VanDerWaalsContact O-CB 3.22Å; S432-Q436 WeakPolarHBondContact O-CB 3.32Å; S432-Q436 PolarHBondContact O-N 3.38Å; K433-Q436 PolarHBondContact O-N 3.32Å; V434-Q436 PolarHBondContact O-N 3.16Å; Q436-H439 PolarHBondContact O-N 3.45Å; Q436-Q440 WeakPolarHBondContact O-CB 3.26Å; Q436-Q440 VanDerWaalsContact O-CG 3.23Å; Q436-Q440 WeakPolarHBondContact O-CG 3.48Å; Q436-Q440 PolarHBondContact O-N 2.84Å
437	S	96.6	Very high	95.5	Very high	37 Å²	37	48.4 Å²	48.4	26%	0.259	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-43.1	176.4	-176.8	0	0	0	0	112.3	K433 V434 L435 Q440 S441	K433-S437 WeakPolarHBondContact O-CB 3.41Å; K433-S437 PolarHBondContact O-N 3.32Å; V434-S437 PolarHBondContact O-N 3.33Å; L435-S437 VanDerWaalsContact C-N 3.33Å; L435-S437 PolarHBondContact O-N 2.91Å; S437-Q440 PolarHBondContact O-N 3.31Å; S437-S441 PolarHBondContact O-N 2.98Å; S437-S441 PolarHBondContact O-OG 3.11Å; S437-S441 VanDerWaalsContact O-OG 3.11Å
438	L	97.7	Very high	95.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-71.7	-27.1	179.4	-64.5	173.3	0	0	0	113.2	T385 V386 A389 V434 L435 S441 F443 L444	T385-L438 HydrophobicContact CG2-CD2 4.02Å; V386-L438 HydrophobicContact CB-CD1 4.47Å; V386-L438 HydrophobicContact CG1-CD1 4.29Å; V386-L438 HydrophobicContact CG2-CD1 4.06Å; A389-L438 HydrophobicContact CB-CD2 3.57Å; A389-L438 HydrophobicContact CB-CG 3.93Å; V434-L438 HydrophobicContact CG1-CD1 3.74Å; V434-L438 HydrophobicContact CG1-CG 4.38Å; V434-L438 VanDerWaalsContact O-CG 3.3Å; V434-L438 WeakPolarHBondContact O-CG 3.49Å; V434-L438 PolarHBondContact O-N 2.92Å; L435-L438 PolarHBondContact O-N 3.09Å; L438-S441 WeakPolarHBondContact CA-OG 3.34Å; L438-S441 PolarHBondContact O-OG 3.03Å; L438-S441 VanDerWaalsContact O-OG 3.09Å; L438-F443 HydrophobicContact CB-CD1 4.29Å; L438-F443 HydrophobicContact CD2-CD1 3.83Å; L438-F443 HydrophobicContact CD2-CE1 4.38Å; L438-F443 HydrophobicContact CG-CD1 4.48Å; L438-F443 WeakPolarHBondContact O-CB 3.15Å; L438-F443 PolarHBondContact O-N 2.95Å; L438-F443 VanDerWaalsContact O-N 3.07Å; L438-L444 HydrophobicContact CB-CD1 3.64Å; L438-L444 HydrophobicContact CB-CG 3.73Å; L438-L444 PolarHBondContact O-N 3.43Å
439	H	97.1	Very high	95	Very high	71 Å²	71	43.4 Å²	43.4	33%	0.329	25%	0.252	S	S	.	.	H	α-helix	trans	-73	-43.8	166.7	-75	-69	0	0	0	112.1	L435 Q436 S441 G442 L444 D447	L435-H439 PolarHBondContact O-CD2 3.37Å; L435-H439 PolarHBondContact O-N 2.72Å; Q436-H439 PolarHBondContact O-N 3.45Å; H439-S441 VanDerWaalsContact C-N 3.27Å; H439-S441 PolarHBondContact O-N 2.59Å; H439-G442 WeakPolarHBondContact O-CA 3.32Å; H439-G442 PolarHBondContact O-N 3.42Å; H439-L444 WeakPolarHBondContact ND1-CB 3.47Å; H439-D447 IonicContact CE1-OD1 3.8Å; H439-D447 PolarHBondContact CE1-OD1 2.87Å; H439-D447 IonicContact CE1-OD2 3.09Å; H439-D447 PolarHBondContact CE1-OD2 3.17Å; H439-D447 VanDerWaalsContact CE1-OD2 3.28Å; H439-D447 IonicContact NE2-OD1 3.42Å; H439-D447 PolarHBondContact NE2-OD1 2.96Å; H439-D447 IonicContact NE2-OD2 2.71Å
440	Q	96.9	Very high	94.1	Very high	146 Å²	146	44.4 Å²	44.4	68%	0.682	25%	0.253	S	S	*	.	H	α-helix	trans	-64.8	-29.5	-178.6	-77.4	173.7	-17.2	0	0	113.1	Q436 S437 G442	Q436-Q440 WeakPolarHBondContact O-CB 3.26Å; Q436-Q440 VanDerWaalsContact O-CG 3.23Å; Q436-Q440 WeakPolarHBondContact O-CG 3.48Å; Q436-Q440 PolarHBondContact O-N 2.84Å; S437-Q440 PolarHBondContact O-N 3.31Å; Q440-G442 VanDerWaalsContact C-N 3.26Å; Q440-G442 PolarHBondContact O-N 3.27Å
441	S	96.8	Very high	92.9	Very high	80 Å²	80	49.8 Å²	49.8	56%	0.559	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.9	170.8	55.4	0	0	0	0	114.2	S437 L438 H439 F443	S437-S441 PolarHBondContact O-N 2.98Å; S437-S441 PolarHBondContact O-OG 3.11Å; S437-S441 VanDerWaalsContact O-OG 3.11Å; L438-S441 WeakPolarHBondContact CA-OG 3.34Å; L438-S441 PolarHBondContact O-OG 3.03Å; L438-S441 VanDerWaalsContact O-OG 3.09Å; H439-S441 VanDerWaalsContact C-N 3.27Å; H439-S441 PolarHBondContact O-N 2.59Å; S441-F443 PolarHBondContact O-N 3.07Å
442	G	97.4	Very high	91.6	Very high	49 Å²	49	54.3 Å²	54.3	51%	0.505	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	12.4	-174.6	0	0	0	0	0	114.3	H439 Q440	H439-G442 WeakPolarHBondContact O-CA 3.32Å; H439-G442 PolarHBondContact O-N 3.42Å; Q440-G442 VanDerWaalsContact C-N 3.26Å; Q440-G442 PolarHBondContact O-N 3.27Å
443	F	98.4	Very high	90.5	Very high	9 Å²	9	57 Å²	57	4%	0.039	31%	0.305	C	S	.	.			trans	-74.9	-41.7	179.7	176.5	-109	0	0	0	112	I382 T385 V386 L438 S441 C464 R465 L466 L476	I382-F443 HydrophobicContact CB-CZ 4.41Å; I382-F443 HydrophobicContact CG1-CE2 4.48Å; I382-F443 HydrophobicContact CG1-CZ 4.18Å; I382-F443 HydrophobicContact CG2-CZ 4.11Å; T385-F443 HydrophobicContact CG2-CD1 4.02Å; T385-F443 HydrophobicContact CG2-CD2 3.99Å; T385-F443 HydrophobicContact CG2-CE1 4.07Å; T385-F443 HydrophobicContact CG2-CE2 4.06Å; T385-F443 HydrophobicContact CG2-CG 3.95Å; T385-F443 HydrophobicContact CG2-CZ 4.08Å; V386-F443 HydrophobicContact CG2-CE1 4.16Å; L438-F443 HydrophobicContact CB-CD1 4.29Å; L438-F443 HydrophobicContact CD2-CD1 3.83Å; L438-F443 HydrophobicContact CD2-CE1 4.38Å; L438-F443 HydrophobicContact CG-CD1 4.48Å; L438-F443 WeakPolarHBondContact O-CB 3.15Å; L438-F443 PolarHBondContact O-N 2.95Å; L438-F443 VanDerWaalsContact O-N 3.07Å; S441-F443 PolarHBondContact O-N 3.07Å; F443-C464 HydrophobicContact CD1-CB 3.96Å; F443-C464 HydrophobicContact CD2-CB 4.37Å; F443-C464 HydrophobicContact CE1-CB 3.54Å; F443-C464 HydrophobicContact CE2-CB 3.97Å; F443-C464 HydrophobicContact CG-CB 4.38Å; F443-C464 HydrophobicContact CZ-CB 3.56Å; F443-C464 CarbonylContact O-C 3.56Å; F443-C464 WeakPolarHBondContact O-CA 3.38Å; F443-R465 WeakPolarHBondContact CD2-O 3.33Å; F443-R465 PolarHBondContact O-N 2.9Å; F443-L466 HydrophobicContact CE2-CD2 3.94Å; F443-L466 HydrophobicContact CE2-CG 4.33Å; F443-L476 HydrophobicContact CE1-CD2 3.83Å
444	L	98.3	Very high	88.9	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.3	169.9	-63.7	176.6	0	0	0	110.3	L435 L438 H439 Y460 V463 C464 L476	L435-L444 HydrophobicContact CD2-CD1 3.89Å; L438-L444 HydrophobicContact CB-CD1 3.64Å; L438-L444 HydrophobicContact CB-CG 3.73Å; L438-L444 PolarHBondContact O-N 3.43Å; H439-L444 WeakPolarHBondContact ND1-CB 3.47Å; L444-Y460 HydrophobicContact CD1-CE1 4.35Å; L444-Y460 HydrophobicContact CD2-CE1 3.92Å; L444-V463 CarbonylContact C-O 3.56Å; L444-V463 WeakPolarHBondContact CA-O 3.49Å; L444-C464 HydrophobicContact CD2-CB 4.1Å; L444-L476 HydrophobicContact CD2-CD2 3.88Å
445	T	97.9	Very high	88	Confident	43 Å²	43	57.7 Å²	57.7	26%	0.264	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-30	-173.8	72.8	0	0	0	0	114.1	V463 R465	T445-V463 PolarHBondContact N-O 3.41Å; T445-R465 HydrophobicContact CG2-CB 4.14Å
446	D	97.4	Very high	87.1	Confident	24 Å²	24	61 Å²	61	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	141.7	-177.8	-58.6	-101.1	0	0	0	111.1	I362 K365 H366 G462 V463	I362-D446 HydrophobicContact CD1-CB 3.94Å; I362-D446 HydrophobicContact CG1-CB 4.12Å; I362-D446 HydrophobicContact CG2-CB 3.74Å; K365-D446 IonicContact NZ-OD1 2.74Å; K365-D446 PolarHBondContact NZ-OD1 2.99Å; K365-D446 IonicContact NZ-OD2 3.61Å; K365-D446 PolarHBondContact NZ-OD2 3.47Å; H366-D446 IonicContact CD2-OD2 3.31Å; H366-D446 IonicContact CE1-OD2 3.53Å; H366-D446 IonicContact NE2-OD2 2.87Å; H366-D446 PolarHBondContact NE2-OD2 3.35Å; D446-G462 CarbonylContact O-C 3.58Å; D446-G462 WeakPolarHBondContact O-CA 3.28Å; D446-V463 HydrophobicContact CB-CB 3.99Å; D446-V463 HydrophobicContact CB-CG2 3.88Å; D446-V463 WeakPolarHBondContact O-CB 3.44Å; D446-V463 PolarHBondContact O-N 3.01Å
447	D	95.5	Very high	86.5	Confident	47 Å²	47	56.2 Å²	56.2	25%	0.251	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	-177.9	-57	-53.3	0	0	0	112.3	H358 I362 H439 Y460	H358-D447 PolarHBondContact CD2-O 3.09Å; H358-D447 PolarHBondContact NE2-O 3.31Å; I362-D447 WeakPolarHBondContact CD1-O 3.09Å; H439-D447 IonicContact CE1-OD1 3.8Å; H439-D447 PolarHBondContact CE1-OD1 2.87Å; H439-D447 IonicContact CE1-OD2 3.09Å; H439-D447 PolarHBondContact CE1-OD2 3.17Å; H439-D447 VanDerWaalsContact CE1-OD2 3.28Å; H439-D447 IonicContact NE2-OD1 3.42Å; H439-D447 PolarHBondContact NE2-OD1 2.96Å; H439-D447 IonicContact NE2-OD2 2.71Å; D447-Y460 WeakPolarHBondContact OD1-CE2 3.4Å; D447-Y460 VanDerWaalsContact OD1-CZ 3.3Å; D447-Y460 PolarHBondContact OD1-OH 2.81Å
448	L	90.7	Very high	86	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-39	-179.3	-61.7	168.3	0	0	0	111.8	W329 N359 I362 M461 V463	W329-L448 HydrophobicContact CD2-CD1 3.86Å; W329-L448 HydrophobicContact CD2-CD2 4.42Å; W329-L448 HydrophobicContact CE3-CB 4.26Å; W329-L448 HydrophobicContact CE3-CD1 3.9Å; W329-L448 HydrophobicContact CE3-CD2 3.73Å; W329-L448 HydrophobicContact CE3-CG 4.18Å; W329-L448 HydrophobicContact CG-CD1 4.46Å; W329-L448 HydrophobicContact CH2-CB 3.78Å; W329-L448 HydrophobicContact CH2-CD1 4.18Å; W329-L448 HydrophobicContact CH2-CG 4.46Å; W329-L448 HydrophobicContact CZ2-CB 4.48Å; W329-L448 HydrophobicContact CZ2-CD1 4.15Å; W329-L448 HydrophobicContact CZ3-CB 3.65Å; W329-L448 HydrophobicContact CZ3-CD1 4.06Å; W329-L448 HydrophobicContact CZ3-CD2 3.92Å; W329-L448 HydrophobicContact CZ3-CG 4.1Å; N359-L448 HydrophobicContact CB-CD2 4.39Å; N359-L448 VanDerWaalsContact CG-O 3.26Å; N359-L448 PolarHBondContact ND2-O 3.02Å; N359-L448 PolarHBondContact OD1-O 3.03Å; N359-L448 VanDerWaalsContact OD1-O 3.12Å; I362-L448 HydrophobicContact CB-CD2 3.67Å; I362-L448 HydrophobicContact CD1-CD2 3.95Å; I362-L448 HydrophobicContact CG1-CD2 4.43Å; I362-L448 HydrophobicContact CG2-CD2 3.61Å; I362-L448 HydrophobicContact CG2-CG 4.39Å; L448-M461 CarbonylContact C-O 3.17Å; L448-M461 WeakPolarHBondContact CA-O 3.24Å; L448-M461 HydrophobicContact CB-CB 4.36Å; L448-M461 WeakPolarHBondContact CB-O 3.46Å; L448-M461 PolarHBondContact N-O 3.17Å; L448-V463 HydrophobicContact CD1-CG2 4.25Å; L448-V463 HydrophobicContact CG-CG2 4.47Å
449	V	86	Confident	85.8	Confident	35 Å²	35	59.1 Å²	59.1	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	100.1	172.2	-179.1	0	0	0	0	106.7	W329 E452 Y460 M461	W329-V449 HydrophobicContact CH2-CG2 4.39Å; V449-E452 HydrophobicContact CG1-CB 3.66Å; V449-Y460 CarbonylContact O-C 3.38Å; V449-Y460 VanDerWaalsContact O-CA 3.3Å; V449-Y460 WeakPolarHBondContact O-CA 3.38Å; V449-M461 HydrophobicContact CB-CB 3.91Å; V449-M461 HydrophobicContact CB-CG 3.95Å; V449-M461 HydrophobicContact CB-SD 4.19Å; V449-M461 HydrophobicContact CG2-CB 4.16Å; V449-M461 HydrophobicContact CG2-CG 4.14Å; V449-M461 HydrophobicContact CG2-SD 3.73Å; V449-M461 PolarHBondContact N-O 3.49Å; V449-M461 PolarHBondContact O-N 3.48Å
450	S	71.2	Confident	85.7	Confident	53 Å²	53	55.8 Å²	55.8	37%	0.371	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-32.4	-179.4	48.7	0	0	0	0	113.2	F431	F431-S450 VanDerWaalsContact CE1-O 3.29Å; F431-S450 WeakPolarHBondContact CE1-O 3.38Å; F431-S450 WeakPolarHBondContact CZ-O 3.49Å
451	H	66.3	Low	85.7	Confident	123 Å²	123	50.3 Å²	50.3	57%	0.569	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	83.2	-176	-63.3	-70.9	0	0	0	112	F431	F431-H451 AromaticContact CE1-ND1 3.88Å
452	E	65.7	Low	85.7	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.463	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.3	159.9	-177	172.5	-135.3	0	0	108.6	V449 K459	V449-E452 HydrophobicContact CG1-CB 3.66Å; E452-K459 HydrophobicContact CB-CB 4.35Å; E452-K459 PolarHBondContact N-O 3.36Å; E452-K459 PolarHBondContact O-N 3.33Å; E452-K459 IonicContact OE2-NZ 2.83Å; E452-K459 PolarHBondContact OE2-NZ 2.75Å
453	E	68.4	Low	85.7	Confident	122 Å²	122	44.1 Å²	44.1	57%	0.57	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.7	-179.2	-52.8	-158.7	141.1	0	0	110.1	Q457 K458	E453-Q457 WeakPolarHBondContact CA-O 3.44Å; E453-K458 IonicContact OE1-NZ 3.86Å; E453-K458 PolarHBondContact OE1-NZ 2.96Å
454	S	61.8	Low	85.7	Confident	56 Å²	56	43.7 Å²	43.7	39%	0.392	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	90.9	179.2	-174.7	0	0	0	0	109	E456 Q457 H517	S454-E456 PolarHBondContact O-N 3.34Å; S454-Q457 PolarHBondContact N-O 3.28Å; S454-Q457 WeakPolarHBondContact O-CB 3.43Å; S454-Q457 PolarHBondContact O-N 3.23Å; S454-H517 PolarHBondContact O-CE1 3Å; S454-H517 PolarHBondContact OG-CE1 3.22Å; S454-H517 PolarHBondContact OG-NE2 2.91Å
455	G	77.1	Confident	85.7	Confident	75 Å²	75	48.5 Å²	48.5	77%	0.773	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-129.5	-166	0	0	0	0	0	110.3
456	E	77.7	Confident	85.8	Confident	82 Å²	82	47.1 Å²	47.1	38%	0.383	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.9	175.3	-55.4	-156.9	136.2	0	0	113.3	R428 S454 K458 P482	R428-E456 IonicContact CZ-OE1 3.7Å; R428-E456 IonicContact CZ-OE2 2.79Å; R428-E456 IonicContact NH1-OE1 2.87Å; R428-E456 PolarHBondContact NH1-OE1 3.01Å; R428-E456 IonicContact NH1-OE2 2.69Å; R428-E456 IonicContact NH2-OE1 2.76Å; R428-E456 PolarHBondContact NH2-OE1 3.23Å; R428-E456 IonicContact NH2-OE2 3.15Å; R428-E456 PolarHBondContact NH2-OE2 2.86Å; S454-E456 PolarHBondContact O-N 3.34Å; E456-K458 PolarHBondContact O-N 2.99Å; E456-P482 HydrophobicContact CB-CG 4.1Å
457	Q	81.1	Confident	85.7	Confident	10 Å²	10	51.3 Å²	51.3	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.3	173.7	178.3	174	16.6	0	0	110.7	E453 S454 V480 V481 H517	E453-Q457 WeakPolarHBondContact CA-O 3.44Å; S454-Q457 PolarHBondContact N-O 3.28Å; S454-Q457 WeakPolarHBondContact O-CB 3.43Å; S454-Q457 PolarHBondContact O-N 3.23Å; Q457-V480 WeakPolarHBondContact CA-O 3.24Å; Q457-V481 HydrophobicContact CB-CG1 4.23Å; Q457-V481 HydrophobicContact CG-CG1 3.89Å; Q457-H517 PolarHBondContact OE1-CE1 2.91Å
458	K	87	Confident	85.6	Confident	66 Å²	66	51.6 Å²	51.6	29%	0.287	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133	169.4	-64.1	174.8	-169.9	-76.8	0	109.3	F431 E453 E456 I479 V480	F431-K458 HydrophobicContact CB-CB 4.17Å; F431-K458 HydrophobicContact CB-CD 3.89Å; F431-K458 HydrophobicContact CD1-CB 4Å; F431-K458 HydrophobicContact CD1-CD 4.16Å; F431-K458 HydrophobicContact CD2-CB 3.57Å; F431-K458 HydrophobicContact CE1-CB 4.26Å; F431-K458 HydrophobicContact CE2-CB 3.86Å; F431-K458 WeakPolarHBondContact CE2-O 3.21Å; F431-K458 HydrophobicContact CG-CB 3.64Å; F431-K458 HydrophobicContact CG-CD 4.05Å; F431-K458 HydrophobicContact CG-CG 4.49Å; F431-K458 HydrophobicContact CZ-CB 4.19Å; E453-K458 IonicContact OE1-NZ 3.86Å; E453-K458 PolarHBondContact OE1-NZ 2.96Å; E456-K458 PolarHBondContact O-N 2.99Å; K458-I479 WeakPolarHBondContact O-CA 3.41Å; K458-V480 PolarHBondContact N-O 2.96Å; K458-V480 PolarHBondContact O-N 3.19Å
459	K	92.9	Very high	85.7	Confident	35 Å²	35	57.6 Å²	57.6	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.2	-176	171.4	165.1	162.7	-78.6	0	112.2	F431 E452 M461 I479	F431-K459 VanDerWaalsContact CZ-C 3.48Å; E452-K459 HydrophobicContact CB-CB 4.35Å; E452-K459 PolarHBondContact N-O 3.36Å; E452-K459 PolarHBondContact O-N 3.33Å; E452-K459 IonicContact OE2-NZ 2.83Å; E452-K459 PolarHBondContact OE2-NZ 2.75Å; K459-M461 HydrophobicContact CG-CG 4.44Å; K459-M461 PolarHBondContact NZ-SD 3.12Å; K459-I479 HydrophobicContact CB-CG2 3.96Å; K459-I479 HydrophobicContact CD-CG2 4.12Å; K459-I479 HydrophobicContact CG-CG2 3.92Å
460	Y	95.1	Very high	85.9	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.2	169.8	-179.8	-105.4	0	0	0	109.6	L435 L444 D447 V449 D477 V478	L435-Y460 HydrophobicContact CD1-CD2 3.5Å; L435-Y460 HydrophobicContact CD1-CE2 4.14Å; L435-Y460 HydrophobicContact CD1-CG 4.03Å; L435-Y460 HydrophobicContact CD2-CD1 3.83Å; L435-Y460 HydrophobicContact CD2-CD2 3.56Å; L435-Y460 HydrophobicContact CD2-CE1 4.12Å; L435-Y460 HydrophobicContact CD2-CE2 3.87Å; L435-Y460 HydrophobicContact CD2-CG 3.54Å; L435-Y460 HydrophobicContact CG-CD2 4.18Å; L435-Y460 HydrophobicContact CG-CG 4.44Å; L444-Y460 HydrophobicContact CD1-CE1 4.35Å; L444-Y460 HydrophobicContact CD2-CE1 3.92Å; D447-Y460 WeakPolarHBondContact OD1-CE2 3.4Å; D447-Y460 VanDerWaalsContact OD1-CZ 3.3Å; D447-Y460 PolarHBondContact OD1-OH 2.81Å; V449-Y460 CarbonylContact O-C 3.38Å; V449-Y460 VanDerWaalsContact O-CA 3.3Å; V449-Y460 WeakPolarHBondContact O-CA 3.38Å; Y460-D477 WeakPolarHBondContact O-CA 3.34Å; Y460-V478 HydrophobicContact CD1-CB 4.47Å; Y460-V478 HydrophobicContact CD1-CG2 4.23Å; Y460-V478 PolarHBondContact N-O 2.97Å; Y460-V478 PolarHBondContact O-N 2.95Å; Y460-V478 VanDerWaalsContact O-N 3.08Å
461	M	96.2	Very high	87.1	Confident	30 Å²	30	62.8 Å²	62.8	15%	0.148	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.5	161	-49.7	177.3	92.2	0	0	107.7	W329 L448 V449 K459 D477	W329-M461 HydrophobicContact CH2-CE 4.48Å; W329-M461 HydrophobicContact CH2-SD 4.16Å; W329-M461 HydrophobicContact CZ2-CE 3.81Å; W329-M461 HydrophobicContact CZ2-SD 4.07Å; L448-M461 CarbonylContact C-O 3.17Å; L448-M461 WeakPolarHBondContact CA-O 3.24Å; L448-M461 HydrophobicContact CB-CB 4.36Å; L448-M461 WeakPolarHBondContact CB-O 3.46Å; L448-M461 PolarHBondContact N-O 3.17Å; V449-M461 HydrophobicContact CB-CB 3.91Å; V449-M461 HydrophobicContact CB-CG 3.95Å; V449-M461 HydrophobicContact CB-SD 4.19Å; V449-M461 HydrophobicContact CG2-CB 4.16Å; V449-M461 HydrophobicContact CG2-CG 4.14Å; V449-M461 HydrophobicContact CG2-SD 3.73Å; V449-M461 PolarHBondContact N-O 3.49Å; V449-M461 PolarHBondContact O-N 3.48Å; K459-M461 HydrophobicContact CG-CG 4.44Å; K459-M461 PolarHBondContact NZ-SD 3.12Å; M461-D477 WeakPolarHBondContact CA-OD1 3.11Å; M461-D477 VanDerWaalsContact CB-OD1 3.23Å; M461-D477 WeakPolarHBondContact CB-OD1 3.36Å; M461-D477 WeakPolarHBondContact CE-OD2 3.26Å; M461-D477 WeakPolarHBondContact CG-OD1 3.45Å
462	G	97.1	Very high	88.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-156.5	179	0	0	0	0	0	113.4	D446 R475 L476	D446-G462 CarbonylContact O-C 3.58Å; D446-G462 WeakPolarHBondContact O-CA 3.28Å; G462-R475 PolarHBondContact O-NH1 3.06Å; G462-L476 PolarHBondContact N-O 2.92Å; G462-L476 PolarHBondContact O-N 2.83Å; G462-L476 VanDerWaalsContact O-N 3.12Å
463	V	98.6	Very high	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.8	-169.1	-171.2	0	0	0	0	108.9	I362 F370 L444 T445 D446 L448 H473 R474	I362-V463 HydrophobicContact CG2-CG2 3.91Å; F370-V463 HydrophobicContact CE1-CG1 4.08Å; F370-V463 HydrophobicContact CE1-CG2 4.04Å; F370-V463 HydrophobicContact CZ-CG1 4.42Å; F370-V463 HydrophobicContact CZ-CG2 3.6Å; L444-V463 CarbonylContact C-O 3.56Å; L444-V463 WeakPolarHBondContact CA-O 3.49Å; T445-V463 PolarHBondContact N-O 3.41Å; D446-V463 HydrophobicContact CB-CB 3.99Å; D446-V463 HydrophobicContact CB-CG2 3.88Å; D446-V463 WeakPolarHBondContact O-CB 3.44Å; D446-V463 PolarHBondContact O-N 3.01Å; L448-V463 HydrophobicContact CD1-CG2 4.25Å; L448-V463 HydrophobicContact CG-CG2 4.47Å; V463-H473 HydrophobicContact CG1-CB 3.62Å; V463-R474 WeakPolarHBondContact CA-O 3.49Å
464	C	98.6	Very high	91.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	159.6	175.3	68.2	0	0	0	0	111.7	F443 L444 R474 L476	F443-C464 HydrophobicContact CD1-CB 3.96Å; F443-C464 HydrophobicContact CD2-CB 4.37Å; F443-C464 HydrophobicContact CE1-CB 3.54Å; F443-C464 HydrophobicContact CE2-CB 3.97Å; F443-C464 HydrophobicContact CG-CB 4.38Å; F443-C464 HydrophobicContact CZ-CB 3.56Å; F443-C464 CarbonylContact O-C 3.56Å; F443-C464 WeakPolarHBondContact O-CA 3.38Å; L444-C464 HydrophobicContact CD2-CB 4.1Å; C464-R474 PolarHBondContact N-O 3.28Å; C464-R474 PolarHBondContact O-N 3.25Å; C464-L476 HydrophobicContact CB-CB 4.22Å; C464-L476 HydrophobicContact CB-CD2 3.96Å
465	R	98.5	Very high	93.4	Very high	109 Å²	109	49.5 Å²	49.5	41%	0.411	30%	0.298	S	S	.	.			trans	-143.2	124	168.7	-175.4	175.7	62.3	-173.4	-1.3	110.3	F443 T445 R471 H473	F443-R465 WeakPolarHBondContact CD2-O 3.33Å; F443-R465 PolarHBondContact O-N 2.9Å; T445-R465 HydrophobicContact CG2-CB 4.14Å; R465-R471 WeakPolarHBondContact CD-O 3.41Å; R465-R471 HydrophobicContact CG-CB 3.91Å; R465-H473 PolarHBondContact NH1-CE1 3.18Å; R465-H473 PolarHBondContact NH1-NE2 2.89Å; R465-H473 VanDerWaalsContact NH1-NE2 3.17Å
466	L	98.2	Very high	94.4	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	26%	0.261	C	S	.	.			trans	-60.8	148.8	172	-71.8	166.9	0	0	0	110.7	E378 A381 I382 F443 R471	E378-L466 HydrophobicContact CG-CD1 3.78Å; A381-L466 HydrophobicContact CB-CD1 3.81Å; A381-L466 HydrophobicContact CB-CD2 4.06Å; I382-L466 HydrophobicContact CG1-CD1 4.08Å; I382-L466 HydrophobicContact CG1-CD2 4.2Å; I382-L466 HydrophobicContact CG1-CG 3.96Å; F443-L466 HydrophobicContact CE2-CD2 3.94Å; F443-L466 HydrophobicContact CE2-CG 4.33Å; L466-R471 HydrophobicContact CB-CG 4.34Å; L466-R471 WeakPolarHBondContact O-CB 3.25Å; L466-R471 WeakPolarHBondContact O-CG 3.41Å
467	P	96	Very high	95.4	Very high	113 Å²	113	42.5 Å²	42.5	73%	0.734	25%	0.246	S	C	*	.	S	Bend	trans	-68.1	154.1	177.8	28	-34.9	0	0	0	112.6
468	G	93.4	Very high	96.2	Very high	53 Å²	53	42.2 Å²	42.2	55%	0.546	25%	0.245	S	C	.	.	S	Bend	trans	112.1	163.1	176.7	0	0	0	0	0	114.2
469	P	92.6	Very high	96.6	Very high	133 Å²	133	39.1 Å²	39.1	86%	0.864	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	148.9	177.9	30	-35.3	0	0	0	111.5	R471	P469-R471 VanDerWaalsContact C-N 3.27Å; P469-R471 PolarHBondContact O-N 3.4Å
470	G	90.9	Very high	96.7	Very high	80 Å²	80	37.6 Å²	37.6	83%	0.825	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	9.4	175.4	0	0	0	0	0	115.8
471	R	96.4	Very high	96.8	Very high	117 Å²	117	37.6 Å²	37.6	44%	0.442	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-79.4	127.8	173.8	-63.8	-63.7	-170.6	-174.9	-2	111	R465 L466 P469	R465-R471 WeakPolarHBondContact CD-O 3.41Å; R465-R471 HydrophobicContact CG-CB 3.91Å; L466-R471 HydrophobicContact CB-CG 4.34Å; L466-R471 WeakPolarHBondContact O-CB 3.25Å; L466-R471 WeakPolarHBondContact O-CG 3.41Å; P469-R471 VanDerWaalsContact C-N 3.27Å; P469-R471 PolarHBondContact O-N 3.4Å
472	L	97.8	Very high	96.8	Very high	63 Å²	63	36.8 Å²	36.8	33%	0.33	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-81.5	159.9	173.6	-54.5	-174.2	0	0	0	110.6	D372	D372-L472 HydrophobicContact CB-CD1 4.33Å
473	H	98.7	Very high	96.7	Very high	30 Å²	30	39 Å²	39	14%	0.139	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-78.4	130.3	171.8	-54.9	88	0	0	0	109.8	H366 D369 V463 R465	H366-H473 AromaticContact CE1-CD2 3.54Å; H366-H473 AromaticContact CE1-CE1 3.7Å; H366-H473 AromaticContact CE1-CG 3.4Å; H366-H473 VanDerWaalsContact CE1-CG 3.4Å; H366-H473 AromaticContact CE1-ND1 3.52Å; H366-H473 AromaticContact CE1-NE2 3.75Å; H366-H473 AromaticContact ND1-CE1 3.98Å; H366-H473 AromaticContact ND1-CG 3.62Å; H366-H473 AromaticContact ND1-ND1 3.48Å; H366-H473 PolarHBondContact ND1-ND1 2.75Å; D369-H473 HydrophobicContact CB-CB 4.39Å; D369-H473 WeakPolarHBondContact OD2-CB 3.37Å; D369-H473 IonicContact OD2-CE1 3.64Å; D369-H473 IonicContact OD2-CG 2.82Å; D369-H473 PolarHBondContact OD2-N 3.05Å; D369-H473 IonicContact OD2-ND1 2.82Å; D369-H473 PolarHBondContact OD2-ND1 2.88Å; V463-H473 HydrophobicContact CG1-CB 3.62Å; R465-H473 PolarHBondContact NH1-CE1 3.18Å; R465-H473 PolarHBondContact NH1-NE2 2.89Å; R465-H473 VanDerWaalsContact NH1-NE2 3.17Å
474	R	98.6	Very high	96.5	Very high	12 Å²	12	42 Å²	42	5%	0.045	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.3	-177.7	-57.6	-50	-168.7	176.7	8.9	110.6	D372 M374 E378 I382 V463 C464	D372-R474 IonicContact OD2-CZ 2.9Å; D372-R474 VanDerWaalsContact OD2-CZ 3.26Å; D372-R474 IonicContact OD2-NH1 3.48Å; D372-R474 PolarHBondContact OD2-NH1 2.88Å; D372-R474 IonicContact OD2-NH2 2.68Å; D372-R474 PolarHBondContact OD2-NH2 2.94Å; M374-R474 HydrophobicContact CE-CB 3.9Å; M374-R474 HydrophobicContact CE-CG 4.13Å; M374-R474 HydrophobicContact SD-CB 4.48Å; M374-R474 HydrophobicContact SD-CG 4.29Å; E378-R474 VanDerWaalsContact CD-NE 3.34Å; E378-R474 WeakPolarHBondContact OE1-CG 3.34Å; E378-R474 IonicContact OE1-CZ 2.87Å; E378-R474 IonicContact OE1-NE 2.59Å; E378-R474 PolarHBondContact OE1-NE 3.05Å; E378-R474 IonicContact OE1-NH2 2.61Å; E378-R474 IonicContact OE2-CZ 3.36Å; E378-R474 IonicContact OE2-NE 2.84Å; E378-R474 PolarHBondContact OE2-NE 2.77Å; E378-R474 IonicContact OE2-NH2 2.56Å; E378-R474 PolarHBondContact OE2-NH2 2.77Å; I382-R474 HydrophobicContact CD1-CB 3.81Å; I382-R474 HydrophobicContact CD1-CG 3.92Å; V463-R474 WeakPolarHBondContact CA-O 3.49Å; C464-R474 PolarHBondContact N-O 3.28Å; C464-R474 PolarHBondContact O-N 3.25Å
475	R	98.5	Very high	96.4	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.06	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.7	173.2	-81.3	-76.1	-65.8	102.5	17.8	109.9	F370 D414 V415 G462 D477	F370-R475 HydrophobicContact CD1-CG 3.75Å; F370-R475 HydrophobicContact CD2-CG 4.35Å; F370-R475 HydrophobicContact CE1-CG 3.75Å; F370-R475 HydrophobicContact CE2-CG 4.34Å; F370-R475 HydrophobicContact CG-CG 4.06Å; F370-R475 HydrophobicContact CZ-CG 4.06Å; D414-R475 CarbonylContact C-O 3.45Å; D414-R475 WeakPolarHBondContact CA-O 3.44Å; D414-R475 HydrophobicContact CB-CB 4.06Å; V415-R475 PolarHBondContact N-O 3.14Å; G462-R475 PolarHBondContact O-NH1 3.06Å; R475-D477 IonicContact CZ-OD1 2.75Å; R475-D477 IonicContact NH1-OD1 2.74Å; R475-D477 PolarHBondContact NH1-OD1 3.05Å; R475-D477 VanDerWaalsContact NH2-CG 3.31Å; R475-D477 IonicContact NH2-OD1 3.83Å; R475-D477 PolarHBondContact NH2-OD1 3.45Å; R475-D477 IonicContact NH2-OD2 2.62Å; R475-D477 PolarHBondContact NH2-OD2 3.44Å
476	L	98.5	Very high	96.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	177.2	170.8	60.2	0	0	0	108.8	I382 V386 V415 V417 F443 L444 G462 C464 V478	I382-L476 HydrophobicContact CG2-CD1 4.15Å; V386-L476 HydrophobicContact CG2-CD1 4.15Å; V386-L476 HydrophobicContact CG2-CD2 3.76Å; V415-L476 HydrophobicContact CB-CD1 4.28Å; V415-L476 WeakPolarHBondContact O-CD1 3.47Å; V417-L476 HydrophobicContact CG2-CD1 3.85Å; F443-L476 HydrophobicContact CE1-CD2 3.83Å; L444-L476 HydrophobicContact CD2-CD2 3.88Å; G462-L476 PolarHBondContact N-O 2.92Å; G462-L476 PolarHBondContact O-N 2.83Å; G462-L476 VanDerWaalsContact O-N 3.12Å; C464-L476 HydrophobicContact CB-CB 4.22Å; C464-L476 HydrophobicContact CB-CD2 3.96Å; L476-V478 HydrophobicContact CD1-CG2 3.86Å; L476-V478 HydrophobicContact CD2-CG2 4.29Å; L476-V478 HydrophobicContact CG-CG2 3.92Å
477	D	98.1	Very high	96.2	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.7	169.8	-74.1	2.9	0	0	0	108.5	V415 V417 Y460 M461 R475 F493	V415-D477 PolarHBondContact O-N 3.43Å; V417-D477 PolarHBondContact N-O 2.94Å; Y460-D477 WeakPolarHBondContact O-CA 3.34Å; M461-D477 WeakPolarHBondContact CA-OD1 3.11Å; M461-D477 VanDerWaalsContact CB-OD1 3.23Å; M461-D477 WeakPolarHBondContact CB-OD1 3.36Å; M461-D477 WeakPolarHBondContact CE-OD2 3.26Å; M461-D477 WeakPolarHBondContact CG-OD1 3.45Å; R475-D477 IonicContact CZ-OD1 2.75Å; R475-D477 IonicContact NH1-OD1 2.74Å; R475-D477 PolarHBondContact NH1-OD1 3.05Å; R475-D477 VanDerWaalsContact NH2-CG 3.31Å; R475-D477 IonicContact NH2-OD1 3.83Å; R475-D477 PolarHBondContact NH2-OD1 3.45Å; R475-D477 IonicContact NH2-OD2 2.62Å; R475-D477 PolarHBondContact NH2-OD2 3.44Å; D477-F493 HydrophobicContact CB-CE1 4.37Å; D477-F493 HydrophobicContact CB-CZ 3.88Å
478	V	97.7	Very high	96.3	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.7	179.7	-173.3	0	0	0	0	108.8	V386 V417 I419 Y460 L476	V386-V478 HydrophobicContact CG1-CG2 4.31Å; V417-V478 HydrophobicContact CB-CG2 4.4Å; V417-V478 WeakPolarHBondContact O-CA 3.44Å; I419-V478 HydrophobicContact CD1-CG1 3.58Å; I419-V478 HydrophobicContact CG1-CG1 4.13Å; Y460-V478 HydrophobicContact CD1-CB 4.47Å; Y460-V478 HydrophobicContact CD1-CG2 4.23Å; Y460-V478 PolarHBondContact N-O 2.97Å; Y460-V478 PolarHBondContact O-N 2.95Å; Y460-V478 VanDerWaalsContact O-N 3.08Å; L476-V478 HydrophobicContact CD1-CG2 3.86Å; L476-V478 HydrophobicContact CD2-CG2 4.29Å; L476-V478 HydrophobicContact CG-CG2 3.92Å
479	I	96	Very high	96.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	174	63.5	178.7	0	0	0	110.3	V417 L418 I419 K458 K459 F493	V417-I479 PolarHBondContact O-N 2.97Å; L418-I479 HydrophobicContact CB-CG1 4.33Å; L418-I479 HydrophobicContact CD1-CD1 3.89Å; L418-I479 HydrophobicContact CD1-CG1 3.71Å; I419-I479 PolarHBondContact N-O 3.11Å; K458-I479 WeakPolarHBondContact O-CA 3.41Å; K459-I479 HydrophobicContact CB-CG2 3.96Å; K459-I479 HydrophobicContact CD-CG2 4.12Å; K459-I479 HydrophobicContact CG-CG2 3.92Å; I479-F493 HydrophobicContact CB-CE2 4.49Å; I479-F493 HydrophobicContact CD1-CB 4.1Å; I479-F493 HydrophobicContact CD1-CD1 4.32Å; I479-F493 HydrophobicContact CD1-CD2 3.41Å; I479-F493 VanDerWaalsContact CD1-CD2 3.41Å; I479-F493 HydrophobicContact CD1-CE2 3.75Å; I479-F493 HydrophobicContact CD1-CG 3.74Å; I479-F493 HydrophobicContact CD1-CZ 4.35Å; I479-F493 HydrophobicContact CG1-CD2 3.73Å; I479-F493 HydrophobicContact CG1-CE2 3.61Å; I479-F493 HydrophobicContact CG1-CZ 4.32Å; I479-F493 HydrophobicContact CG2-CE2 4.31Å; I479-F493 HydrophobicContact CG2-CZ 4.19Å
480	V	96.4	Very high	96.7	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.024	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.7	170.7	173.1	0	0	0	0	108	I419 H427 F431 Q457 K458	I419-V480 HydrophobicContact CB-CG2 3.86Å; I419-V480 HydrophobicContact CD1-CG2 4.44Å; I419-V480 HydrophobicContact CG2-CG2 4.02Å; I419-V480 WeakPolarHBondContact O-CA 3.47Å; H427-V480 HydrophobicContact CB-CG1 4.19Å; F431-V480 HydrophobicContact CB-CB 4.22Å; F431-V480 HydrophobicContact CB-CG2 3.9Å; F431-V480 HydrophobicContact CD2-CB 4.14Å; F431-V480 HydrophobicContact CD2-CG2 3.82Å; F431-V480 HydrophobicContact CG-CG2 4.37Å; Q457-V480 WeakPolarHBondContact CA-O 3.24Å; K458-V480 PolarHBondContact N-O 2.96Å; K458-V480 PolarHBondContact O-N 3.19Å
481	V	95.8	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.			trans	-133.9	152.3	-176.9	-54.7	0	0	0	0	112.2	L418 I419 S420 Q457 F486	L418-V481 HydrophobicContact CD1-CG1 4.14Å; L418-V481 HydrophobicContact CD1-CG2 3.67Å; I419-V481 PolarHBondContact O-N 3.11Å; S420-V481 WeakPolarHBondContact CB-O 3.04Å; S420-V481 PolarHBondContact OG-O 3.3Å; Q457-V481 HydrophobicContact CB-CG1 4.23Å; Q457-V481 HydrophobicContact CG-CG1 3.89Å; V481-F486 HydrophobicContact CG2-CD2 4.35Å
482	P	95.5	Very high	97.1	Very high	14 Å²	14	18.4 Å²	18.4	9%	0.091	10%	0.102	C	C	.	.			trans	-65.6	148.7	166.7	29.9	-36.4	0	0	0	111	E456 G484 E485	E456-P482 HydrophobicContact CB-CG 4.1Å; P482-G484 VanDerWaalsContact C-N 3.26Å; P482-G484 PolarHBondContact O-N 3.02Å; P482-E485 HydrophobicContact CG-CB 4.22Å; P482-E485 HydrophobicContact CG-CG 3.81Å; P482-E485 PolarHBondContact O-N 3.36Å
483	Y	95.6	Very high	97.1	Very high	47 Å²	47	16.5 Å²	16.5	18%	0.184	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-61.2	-31.7	-171.7	-162.6	-122	0	0	0	113.9	L197 L398 S420 H421 P422 E485 F486	L197-Y483 HydrophobicContact CD2-CE2 3.75Å; L197-Y483 WeakPolarHBondContact CD2-OH 3.45Å; L398-Y483 HydrophobicContact CD1-CE2 3.99Å; S420-Y483 PolarHBondContact OG-N 3.45Å; H421-Y483 WeakPolarHBondContact O-CB 3.48Å; P422-Y483 HydrophobicContact CB-CE1 4.27Å; P422-Y483 HydrophobicContact CB-CE2 4.22Å; P422-Y483 HydrophobicContact CG-CE2 4.36Å; P422-Y483 WeakPolarHBondContact O-CD1 3.42Å; Y483-E485 PolarHBondContact O-N 3Å; Y483-F486 HydrophobicContact CD2-CB 4.25Å; Y483-F486 HydrophobicContact CD2-CG 4.48Å; Y483-F486 WeakPolarHBondContact O-CB 3.48Å; Y483-F486 PolarHBondContact O-N 3.17Å
484	G	94.4	Very high	97.1	Very high	63 Å²	63	15 Å²	15	65%	0.649	8%	0.084	S	C	*	.	G	3₁₀ helix	trans	-64.9	-19.4	174.9	0	0	0	0	0	115	P482	P482-G484 VanDerWaalsContact C-N 3.26Å; P482-G484 PolarHBondContact O-N 3.02Å
485	E	96.1	Very high	96.9	Very high	38 Å²	38	14.7 Å²	14.7	18%	0.178	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-94.5	-10	173.7	-63.4	-175.1	-169	0	0	112.5	P482 Y483 A487 C488 S489 H517	P482-E485 HydrophobicContact CG-CB 4.22Å; P482-E485 HydrophobicContact CG-CG 3.81Å; P482-E485 PolarHBondContact O-N 3.36Å; Y483-E485 PolarHBondContact O-N 3Å; E485-A487 PolarHBondContact O-N 3.46Å; E485-C488 PolarHBondContact O-N 2.89Å; E485-C488 VanDerWaalsContact O-N 3.11Å; E485-S489 WeakPolarHBondContact O-CB 3.22Å; E485-S489 PolarHBondContact O-N 2.84Å; E485-H517 WeakPolarHBondContact CA-O 3.43Å; E485-H517 WeakPolarHBondContact CB-O 3.36Å; E485-H517 HydrophobicContact CG-CB 4.23Å; E485-H517 WeakPolarHBondContact CG-O 3.48Å; E485-H517 IonicContact OE1-ND1 2.68Å; E485-H517 IonicContact OE2-CE1 2.86Å; E485-H517 IonicContact OE2-CG 3.53Å; E485-H517 IonicContact OE2-ND1 3.2Å; E485-H517 PolarHBondContact OE2-ND1 2.89Å
486	F	96.3	Very high	96.7	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-56.6	-44.3	-166.3	-175.5	-94.1	0	0	0	113.3	L197 M400 L418 V481 Y483 C488 S489 L490	L197-F486 HydrophobicContact CD1-CD1 4.32Å; L197-F486 HydrophobicContact CD2-CD1 3.54Å; L197-F486 HydrophobicContact CD2-CE1 3.29Å; L197-F486 HydrophobicContact CD2-CG 4.47Å; L197-F486 HydrophobicContact CD2-CZ 4.04Å; L197-F486 HydrophobicContact CG-CD1 3.92Å; L197-F486 HydrophobicContact CG-CE1 3.69Å; M400-F486 HydrophobicContact SD-CE1 4.42Å; M400-F486 HydrophobicContact SD-CZ 3.7Å; L418-F486 HydrophobicContact CD1-CD2 4.43Å; L418-F486 HydrophobicContact CD1-CE2 4.48Å; L418-F486 HydrophobicContact CD2-CD2 3.82Å; L418-F486 HydrophobicContact CD2-CE2 3.49Å; L418-F486 VanDerWaalsContact CD2-CE2 3.49Å; L418-F486 HydrophobicContact CD2-CZ 3.91Å; L418-F486 HydrophobicContact CG-CD2 4.13Å; L418-F486 HydrophobicContact CG-CE2 3.73Å; L418-F486 HydrophobicContact CG-CZ 4.49Å; V481-F486 HydrophobicContact CG2-CD2 4.35Å; Y483-F486 HydrophobicContact CD2-CB 4.25Å; Y483-F486 HydrophobicContact CD2-CG 4.48Å; Y483-F486 WeakPolarHBondContact O-CB 3.48Å; Y483-F486 PolarHBondContact O-N 3.17Å; F486-C488 PolarHBondContact O-N 3.21Å; F486-S489 PolarHBondContact O-N 3.09Å; F486-L490 HydrophobicContact CD1-CD2 4.47Å; F486-L490 HydrophobicContact CE1-CB 4.38Å; F486-L490 HydrophobicContact CE1-CD2 3.77Å; F486-L490 HydrophobicContact CZ-CD2 4.37Å; F486-L490 WeakPolarHBondContact O-CB 3.36Å; F486-L490 PolarHBondContact O-N 2.89Å
487	A	97.1	Very high	96.2	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-41.9	179.5	0	0	0	0	0	113.3	E485 M491 T539 T541	E485-A487 PolarHBondContact O-N 3.46Å; A487-M491 WeakPolarHBondContact O-CB 3.31Å; A487-M491 PolarHBondContact O-N 3.42Å; A487-M491 VanDerWaalsContact O-N 3.16Å; A487-T539 WeakPolarHBondContact CB-O 3.49Å; A487-T541 VanDerWaalsContact CB-C 3.44Å; A487-T541 WeakPolarHBondContact CB-O 3.42Å
488	C	97.9	Very high	95.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.7	-38.7	177.8	-74.5	0	0	0	0	111.1	E485 F486 Y492 E516	E485-C488 PolarHBondContact O-N 2.89Å; E485-C488 VanDerWaalsContact O-N 3.11Å; F486-C488 PolarHBondContact O-N 3.21Å; C488-Y492 VanDerWaalsContact O-CB 3.27Å; C488-Y492 WeakPolarHBondContact O-CB 3.38Å; C488-Y492 PolarHBondContact O-N 3.19Å; C488-E516 CarbonylContact C-O 3.44Å; C488-E516 VanDerWaalsContact CB-O 3.25Å; C488-E516 WeakPolarHBondContact CB-O 3.43Å
489	S	97.4	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.9	-41.9	177.6	-78.1	0	0	0	0	112.6	E485 F486 Y492 F493 E516	E485-S489 WeakPolarHBondContact O-CB 3.22Å; E485-S489 PolarHBondContact O-N 2.84Å; F486-S489 PolarHBondContact O-N 3.09Å; S489-Y492 PolarHBondContact O-N 2.86Å; S489-F493 WeakPolarHBondContact O-CB 3.2Å; S489-F493 PolarHBondContact O-N 3.06Å; S489-E516 WeakPolarHBondContact CA-O 3.48Å; S489-E516 PolarHBondContact N-O 2.66Å; S489-E516 PolarHBondContact OG-O 3.25Å
490	L	97.9	Very high	95.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-47.5	174.9	176.9	55.8	0	0	0	111.3	M400 L418 F486 F493 T494 E542	M400-L490 HydrophobicContact CE-CD1 3.82Å; M400-L490 HydrophobicContact CE-CD2 4.39Å; M400-L490 HydrophobicContact SD-CD1 3.7Å; M400-L490 HydrophobicContact SD-CD2 4.19Å; L418-L490 HydrophobicContact CD2-CB 3.65Å; L418-L490 HydrophobicContact CD2-CD1 4.06Å; L418-L490 HydrophobicContact CD2-CG 4.41Å; F486-L490 HydrophobicContact CD1-CD2 4.47Å; F486-L490 HydrophobicContact CE1-CB 4.38Å; F486-L490 HydrophobicContact CE1-CD2 3.77Å; F486-L490 HydrophobicContact CZ-CD2 4.37Å; F486-L490 WeakPolarHBondContact O-CB 3.36Å; F486-L490 PolarHBondContact O-N 2.89Å; L490-F493 PolarHBondContact O-N 3.21Å; L490-T494 WeakPolarHBondContact O-CB 3.49Å; L490-T494 PolarHBondContact O-N 3.47Å; L490-T494 PolarHBondContact O-OG1 3.02Å; L490-E542 HydrophobicContact CD2-CG 4.15Å; L490-E542 HydrophobicContact CG-CG 4.31Å
491	M	97.1	Very high	95	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-44.8	176.5	-178.9	-170.6	55.1	0	0	111.4	A487 T494 G495 M503 L514 E542 V545 F546	A487-M491 WeakPolarHBondContact O-CB 3.31Å; A487-M491 PolarHBondContact O-N 3.42Å; A487-M491 VanDerWaalsContact O-N 3.16Å; M491-T494 PolarHBondContact O-N 3.22Å; M491-G495 PolarHBondContact O-N 3.3Å; M491-M503 HydrophobicContact SD-CE 3.51Å; M491-M503 VanDerWaalsContact SD-CE 3.51Å; M491-L514 HydrophobicContact CE-CD1 3.67Å; M491-L514 HydrophobicContact CE-CD2 3.59Å; M491-L514 HydrophobicContact CE-CG 4.14Å; M491-E542 VanDerWaalsContact CA-OE1 3.24Å; M491-E542 WeakPolarHBondContact CA-OE1 3.42Å; M491-E542 HydrophobicContact CB-CG 4.37Å; M491-E542 PolarHBondContact N-OE1 3.44Å; M491-V545 HydrophobicContact CE-CB 4.46Å; M491-V545 HydrophobicContact CE-CG1 3.72Å; M491-V545 HydrophobicContact SD-CB 4.47Å; M491-V545 HydrophobicContact SD-CG1 4.09Å; M491-F546 HydrophobicContact SD-CE2 4.19Å
492	Y	97.3	Very high	94.7	Very high	74 Å²	74	26 Å²	26	29%	0.29	15%	0.147	S	C	.	.	H	α-helix	trans	-55.9	-53.2	175.7	163	-102.9	0	0	0	111.7	C488 S489 T494 G495 N500 E516	C488-Y492 VanDerWaalsContact O-CB 3.27Å; C488-Y492 WeakPolarHBondContact O-CB 3.38Å; C488-Y492 PolarHBondContact O-N 3.19Å; S489-Y492 PolarHBondContact O-N 2.86Å; Y492-T494 VanDerWaalsContact C-N 3.3Å; Y492-T494 PolarHBondContact O-N 3.09Å; Y492-G495 PolarHBondContact O-N 2.74Å; Y492-N500 PolarHBondContact O-ND2 3.17Å; Y492-E516 HydrophobicContact CD1-CB 3.75Å; Y492-E516 HydrophobicContact CD2-CB 4.13Å; Y492-E516 HydrophobicContact CE1-CB 4.17Å; Y492-E516 HydrophobicContact CE2-CB 4.48Å; Y492-E516 WeakPolarHBondContact CE2-OE1 3.41Å; Y492-E516 HydrophobicContact CG-CB 3.71Å
493	F	97.7	Very high	94.7	Very high	22 Å²	22	25.3 Å²	25.3	10%	0.096	14%	0.142	C	C	.	.	H	α-helix	trans	-75.5	-22.3	-173.9	-147.5	30.2	0	0	0	111.5	C402 G403 D416 L418 D477 I479 S489 L490	C402-F493 HydrophobicContact CB-CB 3.82Å; C402-F493 HydrophobicContact CB-CD2 3.8Å; C402-F493 HydrophobicContact CB-CG 3.97Å; G403-F493 VanDerWaalsContact CA-O 3.26Å; G403-F493 WeakPolarHBondContact CA-O 3.45Å; G403-F493 PolarHBondContact N-O 2.96Å; D416-F493 HydrophobicContact CB-CD1 3.96Å; D416-F493 HydrophobicContact CB-CD2 3.86Å; D416-F493 HydrophobicContact CB-CE1 3.67Å; D416-F493 HydrophobicContact CB-CE2 3.59Å; D416-F493 HydrophobicContact CB-CG 4.05Å; D416-F493 HydrophobicContact CB-CZ 3.49Å; D416-F493 VanDerWaalsContact CB-CZ 3.49Å; D416-F493 WeakPolarHBondContact OD1-CE1 3.42Å; D416-F493 WeakPolarHBondContact OD1-CZ 3.43Å; L418-F493 HydrophobicContact CB-CD2 4.24Å; D477-F493 HydrophobicContact CB-CE1 4.37Å; D477-F493 HydrophobicContact CB-CZ 3.88Å; I479-F493 HydrophobicContact CB-CE2 4.49Å; I479-F493 HydrophobicContact CD1-CB 4.1Å; I479-F493 HydrophobicContact CD1-CD1 4.32Å; I479-F493 HydrophobicContact CD1-CD2 3.41Å; I479-F493 VanDerWaalsContact CD1-CD2 3.41Å; I479-F493 HydrophobicContact CD1-CE2 3.75Å; I479-F493 HydrophobicContact CD1-CG 3.74Å; I479-F493 HydrophobicContact CD1-CZ 4.35Å; I479-F493 HydrophobicContact CG1-CD2 3.73Å; I479-F493 HydrophobicContact CG1-CE2 3.61Å; I479-F493 HydrophobicContact CG1-CZ 4.32Å; I479-F493 HydrophobicContact CG2-CE2 4.31Å; I479-F493 HydrophobicContact CG2-CZ 4.19Å; S489-F493 WeakPolarHBondContact O-CB 3.2Å; S489-F493 PolarHBondContact O-N 3.06Å; L490-F493 PolarHBondContact O-N 3.21Å
494	T	98.3	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-42.1	169.2	-61.3	0	0	0	0	112.4	R406 R407 L490 M491 Y492 P556	R406-T494 HydrophobicContact CB-CG2 4.35Å; R406-T494 HydrophobicContact CG-CG2 4.25Å; R406-T494 PolarHBondContact NH1-OG1 2.77Å; R407-T494 WeakPolarHBondContact CD-O 3.46Å; R407-T494 HydrophobicContact CG-CG2 3.81Å; R407-T494 WeakPolarHBondContact CG-O 3.39Å; R407-T494 PolarHBondContact NH1-O 3.15Å; L490-T494 WeakPolarHBondContact O-CB 3.49Å; L490-T494 PolarHBondContact O-N 3.47Å; L490-T494 PolarHBondContact O-OG1 3.02Å; M491-T494 PolarHBondContact O-N 3.22Å; Y492-T494 VanDerWaalsContact C-N 3.3Å; Y492-T494 PolarHBondContact O-N 3.09Å; T494-P556 HydrophobicContact CG2-CB 3.89Å; T494-P556 HydrophobicContact CG2-CG 4.48Å
495	G	95.3	Very high	94.5	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	13%	0.133	C	C	.	.			trans	67.5	-153.3	-179.5	0	0	0	0	0	114.3	M491 Y492 R559	M491-G495 PolarHBondContact O-N 3.3Å; Y492-G495 PolarHBondContact O-N 2.74Å; G495-R559 WeakPolarHBondContact O-CB 3.37Å
496	S	93.6	Very high	94.4	Very high	8 Å²	8	24 Å²	24	6%	0.056	13%	0.125	C	C	.	.			cis	-65.5	168.5	3.8	88.1	0	0	0	0	113.9	H498 F499 N500 R559 W561	S496-H498 PolarHBondContact O-N 3.48Å; S496-H498 PolarHBondContact OG-N 2.82Å; S496-H498 VanDerWaalsContact OG-N 3.07Å; S496-F499 WeakPolarHBondContact O-CB 3.27Å; S496-F499 PolarHBondContact O-N 2.85Å; S496-F499 PolarHBondContact OG-N 2.83Å; S496-N500 WeakPolarHBondContact O-CB 3.34Å; S496-N500 PolarHBondContact O-N 2.78Å; S496-R559 WeakPolarHBondContact CB-O 3.45Å; S496-R559 PolarHBondContact N-O 3.02Å; S496-W561 WeakPolarHBondContact CB-O 3.45Å; S496-W561 PolarHBondContact OG-N 3.06Å; S496-W561 PolarHBondContact OG-O 3.1Å
497	A	88.8	Confident	94.3	Very high	76 Å²	76	23.8 Å²	23.8	63%	0.628	12%	0.124	S	C	*	.	H	α-helix	trans	-60.1	-28	172.3	0	0	0	0	0	113.1	R501	A497-R501 WeakPolarHBondContact O-CB 3.28Å; A497-R501 WeakPolarHBondContact O-CD 3.18Å; A497-R501 WeakPolarHBondContact O-CG 3.27Å; A497-R501 PolarHBondContact O-N 2.9Å
498	H	85.4	Confident	94.1	Very high	37 Å²	37	28 Å²	28	17%	0.171	14%	0.142	C	C	.	.	H	α-helix	trans	-78.3	-41	173.5	-160.1	-99.5	0	0	0	111.7	S496 R501 S502 W561	S496-H498 PolarHBondContact O-N 3.48Å; S496-H498 PolarHBondContact OG-N 2.82Å; S496-H498 VanDerWaalsContact OG-N 3.07Å; H498-R501 PolarHBondContact CD2-NH1 2.89Å; H498-R501 VanDerWaalsContact CD2-NH1 3.33Å; H498-R501 PolarHBondContact O-N 2.79Å; H498-S502 PolarHBondContact O-N 3.44Å; H498-W561 HydrophobicContact CB-CB 4.35Å; H498-W561 WeakPolarHBondContact CB-O 3.27Å
499	F	91.8	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-51.5	173.5	-178.3	-88.4	0	0	0	111.4	C228 S496 R501 S502 M503 F546 R554 R559	C228-F499 VanDerWaalsContact CA-CE2 3.45Å; C228-F499 HydrophobicContact CB-CD2 3.85Å; C228-F499 HydrophobicContact CB-CE1 4.42Å; C228-F499 HydrophobicContact CB-CE2 3.56Å; C228-F499 HydrophobicContact CB-CG 4.39Å; C228-F499 HydrophobicContact CB-CZ 3.84Å; S496-F499 WeakPolarHBondContact O-CB 3.27Å; S496-F499 PolarHBondContact O-N 2.85Å; S496-F499 PolarHBondContact OG-N 2.83Å; F499-R501 VanDerWaalsContact C-N 3.31Å; F499-R501 PolarHBondContact O-N 3.15Å; F499-S502 CarbonylContact O-C 3.44Å; F499-S502 WeakPolarHBondContact O-CA 3.32Å; F499-S502 WeakPolarHBondContact O-CB 3.49Å; F499-S502 PolarHBondContact O-N 2.97Å; F499-M503 HydrophobicContact CD1-CG 3.98Å; F499-M503 HydrophobicContact CE1-CE 4.3Å; F499-M503 HydrophobicContact CE1-CG 3.51Å; F499-M503 HydrophobicContact CE1-SD 4.18Å; F499-M503 HydrophobicContact CZ-CE 4.36Å; F499-M503 HydrophobicContact CZ-CG 3.95Å; F499-M503 HydrophobicContact CZ-SD 4.09Å; F499-M503 PolarHBondContact O-N 3.04Å; F499-F546 HydrophobicContact CE1-CZ 4.18Å; F499-F546 AromaticContact CZ-CE1 3.78Å; F499-F546 HydrophobicContact CZ-CE1 3.78Å; F499-F546 AromaticContact CZ-CZ 3.6Å; F499-F546 HydrophobicContact CZ-CZ 3.6Å; F499-R554 HydrophobicContact CE2-CB 4.5Å; F499-R559 HydrophobicContact CB-CB 4.34Å; F499-R559 WeakPolarHBondContact CB-O 3.41Å; F499-R559 HydrophobicContact CD1-CB 4.13Å; F499-R559 HydrophobicContact CD1-CG 4.3Å; F499-R559 HydrophobicContact CD2-CB 3.76Å; F499-R559 HydrophobicContact CD2-CG 4.03Å; F499-R559 HydrophobicContact CE1-CB 4.45Å; F499-R559 HydrophobicContact CE1-CG 4.11Å; F499-R559 HydrophobicContact CE2-CB 4.09Å; F499-R559 HydrophobicContact CE2-CG 3.81Å; F499-R559 HydrophobicContact CG-CB 3.81Å; F499-R559 HydrophobicContact CG-CG 4.29Å; F499-R559 HydrophobicContact CZ-CB 4.44Å; F499-R559 HydrophobicContact CZ-CG 3.88Å
500	N	95.3	Very high	93.6	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-41.7	176.5	-71.7	-6.2	0	0	0	112.4	Y492 S496 S502 M503 R504	Y492-N500 PolarHBondContact O-ND2 3.17Å; S496-N500 WeakPolarHBondContact O-CB 3.34Å; S496-N500 PolarHBondContact O-N 2.78Å; N500-S502 VanDerWaalsContact C-N 3.32Å; N500-S502 PolarHBondContact O-N 3.3Å; N500-M503 PolarHBondContact O-N 3.17Å; N500-R504 WeakPolarHBondContact O-CB 3.35Å; N500-R504 VanDerWaalsContact O-CG 3.28Å; N500-R504 WeakPolarHBondContact O-CG 3.43Å; N500-R504 PolarHBondContact O-N 3.44Å
501	R	90	Very high	93.4	Very high	122 Å²	122	43.5 Å²	43.5	46%	0.46	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-34	175.9	-75.7	171.1	64.3	-118.1	2.3	112.2	L264 A497 H498 F499 A505	L264-R501 VanDerWaalsContact CD2-NH2 3.33Å; A497-R501 WeakPolarHBondContact O-CB 3.28Å; A497-R501 WeakPolarHBondContact O-CD 3.18Å; A497-R501 WeakPolarHBondContact O-CG 3.27Å; A497-R501 PolarHBondContact O-N 2.9Å; H498-R501 PolarHBondContact CD2-NH1 2.89Å; H498-R501 VanDerWaalsContact CD2-NH1 3.33Å; H498-R501 PolarHBondContact O-N 2.79Å; F499-R501 VanDerWaalsContact C-N 3.31Å; F499-R501 PolarHBondContact O-N 3.15Å; R501-A505 WeakPolarHBondContact O-CB 3.28Å; R501-A505 PolarHBondContact O-N 3.43Å
502	S	89.9	Confident	93.4	Very high	12 Å²	12	44.1 Å²	44.1	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-45.5	172	-171.3	0	0	0	0	111.5	V227 C228 H498 F499 N500 A505 L506	V227-S502 PolarHBondContact N-OG 3.33Å; C228-S502 PolarHBondContact N-OG 2.86Å; C228-S502 VanDerWaalsContact N-OG 3.11Å; C228-S502 VanDerWaalsContact SG-C 3.54Å; C228-S502 PolarHBondContact SG-OG 3.48Å; H498-S502 PolarHBondContact O-N 3.44Å; F499-S502 CarbonylContact O-C 3.44Å; F499-S502 WeakPolarHBondContact O-CA 3.32Å; F499-S502 WeakPolarHBondContact O-CB 3.49Å; F499-S502 PolarHBondContact O-N 2.97Å; N500-S502 VanDerWaalsContact C-N 3.32Å; N500-S502 PolarHBondContact O-N 3.3Å; S502-A505 PolarHBondContact O-N 3.29Å; S502-L506 WeakPolarHBondContact O-CB 3.19Å; S502-L506 PolarHBondContact O-N 2.89Å
503	M	95.3	Very high	93.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-50.2	176.1	-70.6	-67.4	-98.5	0	0	111.7	C228 M491 F499 N500 A505 L506 A507 L514 V545 F546 L549 I551	C228-M503 HydrophobicContact CB-CG 3.58Å; C228-M503 HydrophobicContact CB-SD 3.48Å; C228-M503 WeakPolarHBondContact CB-SD 3.19Å; M491-M503 HydrophobicContact SD-CE 3.51Å; M491-M503 VanDerWaalsContact SD-CE 3.51Å; F499-M503 HydrophobicContact CD1-CG 3.98Å; F499-M503 HydrophobicContact CE1-CE 4.3Å; F499-M503 HydrophobicContact CE1-CG 3.51Å; F499-M503 HydrophobicContact CE1-SD 4.18Å; F499-M503 HydrophobicContact CZ-CE 4.36Å; F499-M503 HydrophobicContact CZ-CG 3.95Å; F499-M503 HydrophobicContact CZ-SD 4.09Å; F499-M503 PolarHBondContact O-N 3.04Å; N500-M503 PolarHBondContact O-N 3.17Å; M503-A505 VanDerWaalsContact C-N 3.29Å; M503-A505 PolarHBondContact O-N 2.97Å; M503-L506 PolarHBondContact O-N 3.39Å; M503-A507 WeakPolarHBondContact O-CB 3.35Å; M503-A507 PolarHBondContact O-N 3.44Å; M503-L514 HydrophobicContact CB-CD2 3.57Å; M503-V545 HydrophobicContact CE-CG1 4.37Å; M503-F546 HydrophobicContact CE-CD1 4.09Å; M503-F546 HydrophobicContact CE-CD2 3.96Å; M503-F546 HydrophobicContact CE-CE1 4.04Å; M503-F546 HydrophobicContact CE-CE2 3.91Å; M503-F546 HydrophobicContact CE-CG 4.09Å; M503-F546 HydrophobicContact CE-CZ 3.98Å; M503-L549 HydrophobicContact CE-CD1 3.68Å; M503-L549 HydrophobicContact SD-CD1 3.91Å; M503-I551 HydrophobicContact CE-CD1 4.09Å; M503-I551 HydrophobicContact SD-CD1 3.53Å; M503-I551 VanDerWaalsContact SD-CD1 3.53Å
504	R	95.5	Very high	93.3	Very high	80 Å²	80	41.1 Å²	41.1	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-32.9	178.3	-67.7	179	179.3	-167.7	-1.1	112.4	N500 K508 L514 E516	N500-R504 WeakPolarHBondContact O-CB 3.35Å; N500-R504 VanDerWaalsContact O-CG 3.28Å; N500-R504 WeakPolarHBondContact O-CG 3.43Å; N500-R504 PolarHBondContact O-N 3.44Å; R504-K508 PolarHBondContact O-N 3.05Å; R504-L514 HydrophobicContact CG-CB 4.15Å; R504-L514 HydrophobicContact CG-CD2 4.05Å; R504-L514 HydrophobicContact CG-CG 4.17Å; R504-E516 IonicContact CZ-OE1 2.78Å; R504-E516 IonicContact CZ-OE2 3.6Å; R504-E516 IonicContact NH1-OE1 2.8Å; R504-E516 PolarHBondContact NH1-OE1 2.97Å; R504-E516 IonicContact NH1-OE2 3.61Å; R504-E516 PolarHBondContact NH1-OE2 3.26Å; R504-E516 IonicContact NH2-OE1 3.38Å; R504-E516 PolarHBondContact NH2-OE1 2.93Å; R504-E516 IonicContact NH2-OE2 2.88Å; R504-E516 PolarHBondContact NH2-OE2 2.81Å
505	A	90.8	Very high	93.2	Very high	41 Å²	41	42.2 Å²	42.2	34%	0.339	21%	0.214	S	C	.	.	H	α-helix	trans	-74.2	-42.8	175.3	0	0	0	0	0	113	W226 R501 S502 M503 K508 T509	W226-A505 HydrophobicContact CH2-CB 4.27Å; W226-A505 HydrophobicContact CZ3-CB 3.72Å; R501-A505 WeakPolarHBondContact O-CB 3.28Å; R501-A505 PolarHBondContact O-N 3.43Å; S502-A505 PolarHBondContact O-N 3.29Å; M503-A505 VanDerWaalsContact C-N 3.29Å; M503-A505 PolarHBondContact O-N 2.97Å; A505-K508 PolarHBondContact O-N 3.27Å; A505-T509 PolarHBondContact O-N 3.05Å
506	L	93.6	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-49.7	172.4	169.5	61.8	0	0	0	110.4	L222 W226 S502 M503 K508 T509 K510 L549 I551	L222-L506 HydrophobicContact CD1-CD1 4.13Å; W226-L506 HydrophobicContact CD2-CB 4.16Å; W226-L506 HydrophobicContact CD2-CD1 4.42Å; W226-L506 HydrophobicContact CE3-CB 4.33Å; W226-L506 HydrophobicContact CG-CD1 4.41Å; W226-L506 HydrophobicContact CZ2-CD1 4.45Å; S502-L506 WeakPolarHBondContact O-CB 3.19Å; S502-L506 PolarHBondContact O-N 2.89Å; M503-L506 PolarHBondContact O-N 3.39Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.39Å; L506-T509 PolarHBondContact O-N 3.42Å; L506-T509 PolarHBondContact O-OG1 2.85Å; L506-K510 PolarHBondContact O-N 3.28Å; L506-L549 HydrophobicContact CD2-CB 4.15Å; L506-I551 HydrophobicContact CD2-CD1 3.94Å; L506-I551 HydrophobicContact CD2-CG1 4.31Å; L506-I551 HydrophobicContact CD2-CG2 3.64Å
507	A	95.5	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-51.4	-48	175	0	0	0	0	0	111.7	M503 T509 K510 M512 L514 L519 L549	M503-A507 WeakPolarHBondContact O-CB 3.35Å; M503-A507 PolarHBondContact O-N 3.44Å; A507-T509 PolarHBondContact O-N 2.92Å; A507-K510 PolarHBondContact O-N 3.06Å; A507-M512 HydrophobicContact CB-CB 4.04Å; A507-M512 WeakPolarHBondContact O-CA 3.3Å; A507-M512 VanDerWaalsContact O-CB 3.3Å; A507-M512 WeakPolarHBondContact O-CB 3.35Å; A507-M512 PolarHBondContact O-N 3.16Å; A507-L514 HydrophobicContact CB-CB 4.03Å; A507-L519 HydrophobicContact CB-CD1 4.48Å; A507-L549 HydrophobicContact CB-CD2 3.69Å
508	K	92.2	Very high	93.6	Very high	91 Å²	91	43.1 Å²	43.1	40%	0.396	21%	0.207	S	C	.	.	H	α-helix	trans	-58	-33.8	177.1	-178.6	170.1	176.8	172.7	0	112.9	R504 A505 L506 K510 R511 G527	R504-K508 PolarHBondContact O-N 3.05Å; A505-K508 PolarHBondContact O-N 3.27Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.39Å; K508-K510 VanDerWaalsContact C-N 3.34Å; K508-R511 PolarHBondContact O-N 3.45Å; K508-G527 PolarHBondContact NZ-O 3.48Å
509	T	90.4	Very high	94.2	Very high	90 Å²	90	41.3 Å²	41.3	55%	0.552	20%	0.198	S	C	*	.	H	α-helix	trans	-71.9	-24.2	176.5	63.8	0	0	0	0	114.1	W226 A505 L506 A507 R511	W226-T509 HydrophobicContact CH2-CG2 3.91Å; W226-T509 HydrophobicContact CZ2-CG2 3.82Å; A505-T509 PolarHBondContact O-N 3.05Å; L506-T509 PolarHBondContact O-N 3.42Å; L506-T509 PolarHBondContact O-OG1 2.85Å; A507-T509 PolarHBondContact O-N 2.92Å; T509-R511 VanDerWaalsContact C-N 3.33Å; T509-R511 PolarHBondContact O-N 3.42Å
510	K	93.6	Very high	94.5	Very high	61 Å²	61	42.3 Å²	42.3	27%	0.265	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	16.1	176.4	-71.2	-164.3	159.9	-167.7	0	114.2	L506 A507 K508 M512 L549	L506-K510 PolarHBondContact O-N 3.28Å; A507-K510 PolarHBondContact O-N 3.06Å; K508-K510 VanDerWaalsContact C-N 3.34Å; K510-M512 HydrophobicContact CB-CG 3.96Å; K510-M512 HydrophobicContact CB-SD 3.78Å; K510-M512 HydrophobicContact CD-SD 4.42Å; K510-M512 PolarHBondContact O-N 3.3Å; K510-L549 VanDerWaalsContact CE-O 3.27Å; K510-L549 WeakPolarHBondContact CE-O 3.41Å; K510-L549 PolarHBondContact NZ-O 3.02Å
511	R	94.4	Very high	94.6	Very high	176 Å²	176	42.3 Å²	42.3	66%	0.664	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	32.3	-167.5	-56.6	-178.3	177	-177.6	-0.9	113.3	K508 T509 D522 V523	K508-R511 PolarHBondContact O-N 3.45Å; T509-R511 VanDerWaalsContact C-N 3.33Å; T509-R511 PolarHBondContact O-N 3.42Å; R511-D522 PolarHBondContact O-N 3.25Å; R511-V523 WeakPolarHBondContact O-CB 3.45Å; R511-V523 PolarHBondContact O-N 3.26Å
512	M	96.6	Very high	94.9	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.079	21%	0.208	C	C	.	.			trans	-109.8	175.3	179.3	-55.3	171.7	108.3	0	0	111.6	A507 K510 L519 N520 R525 L537 H548 L549	A507-M512 HydrophobicContact CB-CB 4.04Å; A507-M512 WeakPolarHBondContact O-CA 3.3Å; A507-M512 VanDerWaalsContact O-CB 3.3Å; A507-M512 WeakPolarHBondContact O-CB 3.35Å; A507-M512 PolarHBondContact O-N 3.16Å; K510-M512 HydrophobicContact CB-CG 3.96Å; K510-M512 HydrophobicContact CB-SD 3.78Å; K510-M512 HydrophobicContact CD-SD 4.42Å; K510-M512 PolarHBondContact O-N 3.3Å; M512-L519 HydrophobicContact CB-CD1 4.19Å; M512-L519 HydrophobicContact CE-CD1 4.37Å; M512-L519 HydrophobicContact CE-CD2 4.05Å; M512-L519 HydrophobicContact CE-CG 4.28Å; M512-N520 CarbonylContact C-O 3.45Å; M512-N520 WeakPolarHBondContact CA-O 3.29Å; M512-N520 VanDerWaalsContact CB-O 3.26Å; M512-N520 WeakPolarHBondContact CB-O 3.46Å; M512-R525 PolarHBondContact O-NH2 3.39Å; M512-R525 VanDerWaalsContact O-NH2 3.12Å; M512-L537 HydrophobicContact CE-CD1 3.45Å; M512-L537 VanDerWaalsContact CE-CD1 3.45Å; M512-H548 HydrophobicContact CE-CB 4.16Å; M512-L549 HydrophobicContact SD-CD2 3.88Å
513	S	96.6	Very high	95.2	Very high	20 Å²	20	40.9 Å²	40.9	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	111.8	170.9	-170.6	0	0	0	0	109.1	N520 K530	S513-N520 PolarHBondContact N-O 3.32Å; S513-N520 PolarHBondContact O-N 2.89Å; S513-K530 WeakPolarHBondContact OG-CE 3.34Å; S513-K530 PolarHBondContact OG-NZ 2.82Å
514	L	97.3	Very high	95	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135	169.9	175.7	67.2	0	0	0	109.9	M491 M503 R504 A507 L519 V545	M491-L514 HydrophobicContact CE-CD1 3.67Å; M491-L514 HydrophobicContact CE-CD2 3.59Å; M491-L514 HydrophobicContact CE-CG 4.14Å; M503-L514 HydrophobicContact CB-CD2 3.57Å; R504-L514 HydrophobicContact CG-CB 4.15Å; R504-L514 HydrophobicContact CG-CD2 4.05Å; R504-L514 HydrophobicContact CG-CG 4.17Å; A507-L514 HydrophobicContact CB-CB 4.03Å; L514-L519 HydrophobicContact CB-CD1 4.01Å; L514-L519 HydrophobicContact CD1-CB 4.24Å; L514-L519 HydrophobicContact CD1-CD1 4.4Å; L514-V545 HydrophobicContact CD1-CG1 3.98Å
515	S	95.7	Very high	94.8	Very high	24 Å²	24	45.5 Å²	45.5	17%	0.168	23%	0.23	C	C	.	.			trans	-129.7	-173.4	170.4	58.8	0	0	0	0	109.8	H517 S518	S515-H517 PolarHBondContact OG-N 2.89Å; S515-S518 PolarHBondContact N-O 3.28Å; S515-S518 PolarHBondContact OG-N 3.34Å; S515-S518 PolarHBondContact OG-O 3.35Å
516	E	94.6	Very high	94.7	Very high	38 Å²	38	50.6 Å²	50.6	18%	0.178	25%	0.247	C	C	.	.	S	Bend	trans	-68.9	-34.8	165.7	31.8	-76.1	-76.4	0	0	111.3	C488 S489 Y492 R504	C488-E516 CarbonylContact C-O 3.44Å; C488-E516 VanDerWaalsContact CB-O 3.25Å; C488-E516 WeakPolarHBondContact CB-O 3.43Å; S489-E516 WeakPolarHBondContact CA-O 3.48Å; S489-E516 PolarHBondContact N-O 2.66Å; S489-E516 PolarHBondContact OG-O 3.25Å; Y492-E516 HydrophobicContact CD1-CB 3.75Å; Y492-E516 HydrophobicContact CD2-CB 4.13Å; Y492-E516 HydrophobicContact CE1-CB 4.17Å; Y492-E516 HydrophobicContact CE2-CB 4.48Å; Y492-E516 WeakPolarHBondContact CE2-OE1 3.41Å; Y492-E516 HydrophobicContact CG-CB 3.71Å; R504-E516 IonicContact CZ-OE1 2.78Å; R504-E516 IonicContact CZ-OE2 3.6Å; R504-E516 IonicContact NH1-OE1 2.8Å; R504-E516 PolarHBondContact NH1-OE1 2.97Å; R504-E516 IonicContact NH1-OE2 3.61Å; R504-E516 PolarHBondContact NH1-OE2 3.26Å; R504-E516 IonicContact NH2-OE1 3.38Å; R504-E516 PolarHBondContact NH2-OE1 2.93Å; R504-E516 IonicContact NH2-OE2 2.88Å; R504-E516 PolarHBondContact NH2-OE2 2.81Å
517	H	95.4	Very high	94.1	Very high	37 Å²	37	53.8 Å²	53.8	17%	0.171	28%	0.28	C	S	.	.	S	Bend	trans	-76	-54.3	177.9	-51.9	-62.2	0	0	0	112.4	S454 Q457 E485 S515	S454-H517 PolarHBondContact O-CE1 3Å; S454-H517 PolarHBondContact OG-CE1 3.22Å; S454-H517 PolarHBondContact OG-NE2 2.91Å; Q457-H517 PolarHBondContact OE1-CE1 2.91Å; E485-H517 WeakPolarHBondContact CA-O 3.43Å; E485-H517 WeakPolarHBondContact CB-O 3.36Å; E485-H517 HydrophobicContact CG-CB 4.23Å; E485-H517 WeakPolarHBondContact CG-O 3.48Å; E485-H517 IonicContact OE1-ND1 2.68Å; E485-H517 IonicContact OE2-CE1 2.86Å; E485-H517 IonicContact OE2-CG 3.53Å; E485-H517 IonicContact OE2-ND1 3.2Å; E485-H517 PolarHBondContact OE2-ND1 2.89Å; S515-H517 PolarHBondContact OG-N 2.89Å
518	S	96.8	Very high	93.2	Very high	31 Å²	31	58.6 Å²	58.6	22%	0.217	31%	0.314	C	S	.	.			trans	-151.7	163	-168	66.9	0	0	0	0	114.8	S515 N520	S515-S518 PolarHBondContact N-O 3.28Å; S515-S518 PolarHBondContact OG-N 3.34Å; S515-S518 PolarHBondContact OG-O 3.35Å; S518-N520 WeakPolarHBondContact CB-OD1 3.45Å; S518-N520 PolarHBondContact OG-OD1 3.13Å
519	L	98.1	Very high	92.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	159.7	177.1	65.6	0	0	0	109.5	A507 M512 L514 L537 T539 V545 H548 L549	A507-L519 HydrophobicContact CB-CD1 4.48Å; M512-L519 HydrophobicContact CB-CD1 4.19Å; M512-L519 HydrophobicContact CE-CD1 4.37Å; M512-L519 HydrophobicContact CE-CD2 4.05Å; M512-L519 HydrophobicContact CE-CG 4.28Å; L514-L519 HydrophobicContact CB-CD1 4.01Å; L514-L519 HydrophobicContact CD1-CB 4.24Å; L514-L519 HydrophobicContact CD1-CD1 4.4Å; L519-L537 HydrophobicContact CD2-CD1 4.19Å; L519-L537 HydrophobicContact CG-CD1 4.33Å; L519-L537 PolarHBondContact O-N 3.16Å; L519-T539 HydrophobicContact CB-CG2 4.26Å; L519-V545 HydrophobicContact CD2-CG1 4.26Å; L519-H548 HydrophobicContact CD2-CB 3.49Å; L519-H548 VanDerWaalsContact CD2-CB 3.49Å; L519-L549 HydrophobicContact CD1-CD2 4.28Å
520	N	97.8	Very high	92.7	Very high	20 Å²	20	59 Å²	59	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.7	177.2	-63.4	19.2	0	0	0	112	M512 S513 S518 V523 G533 G534 T535	M512-N520 CarbonylContact C-O 3.45Å; M512-N520 WeakPolarHBondContact CA-O 3.29Å; M512-N520 VanDerWaalsContact CB-O 3.26Å; M512-N520 WeakPolarHBondContact CB-O 3.46Å; S513-N520 PolarHBondContact N-O 3.32Å; S513-N520 PolarHBondContact O-N 2.89Å; S518-N520 WeakPolarHBondContact CB-OD1 3.45Å; S518-N520 PolarHBondContact OG-OD1 3.13Å; N520-V523 HydrophobicContact CB-CG2 4.08Å; N520-G533 PolarHBondContact ND2-O 3.23Å; N520-G534 PolarHBondContact ND2-O 3.27Å; N520-T535 CarbonylContact C-O 3.44Å; N520-T535 WeakPolarHBondContact CA-O 3.45Å; N520-T535 WeakPolarHBondContact CB-O 3.39Å
521	S	97.1	Very high	92.6	Very high	17 Å²	17	60.7 Å²	60.7	12%	0.119	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	173.3	168.3	70	0	0	0	0	112.3	V523 G534 T535	S521-V523 WeakPolarHBondContact O-CG2 3.22Å; S521-V523 PolarHBondContact O-N 3.27Å; S521-G534 CarbonylContact O-C 3.49Å; S521-G534 WeakPolarHBondContact O-CA 3.35Å; S521-T535 PolarHBondContact N-O 3.19Å; S521-T535 PolarHBondContact O-N 2.9Å; S521-T535 PolarHBondContact OG-O 2.76Å
522	D	95.8	Very high	92.5	Very high	100 Å²	100	57.6 Å²	57.6	54%	0.535	32%	0.317	S	S	.	.	S	Bend	trans	56.3	29.5	165.9	-53.2	-62.4	0	0	0	115.9	R511 L524 Y532	R511-D522 PolarHBondContact O-N 3.25Å; D522-L524 PolarHBondContact O-N 3.1Å; D522-L524 VanDerWaalsContact O-N 3.15Å; D522-Y532 WeakPolarHBondContact O-CD1 3.35Å
523	V	95.5	Very high	92.2	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.03	33%	0.331	C	S	.	.			trans	-76.6	102.2	-175	-176.9	0	0	0	0	110.9	R511 N520 S521 R525 K530	R511-V523 WeakPolarHBondContact O-CB 3.45Å; R511-V523 PolarHBondContact O-N 3.26Å; N520-V523 HydrophobicContact CB-CG2 4.08Å; S521-V523 WeakPolarHBondContact O-CG2 3.22Å; S521-V523 PolarHBondContact O-N 3.27Å; V523-R525 HydrophobicContact CG1-CG 4.15Å; V523-K530 HydrophobicContact CG1-CD 3.84Å; V523-K530 HydrophobicContact CG1-CG 3.61Å
524	L	93	Very high	92.1	Very high	99 Å²	99	58 Å²	58	52%	0.518	33%	0.328	S	S	.	.			trans	-75.9	138.4	175.4	-51.9	-178.8	0	0	0	111.5	D522 V531 Y532	D522-L524 PolarHBondContact O-N 3.1Å; D522-L524 VanDerWaalsContact O-N 3.15Å; L524-V531 PolarHBondContact O-N 2.88Å; L524-Y532 HydrophobicContact CG-CD1 4.47Å; L524-Y532 PolarHBondContact O-N 3.37Å
525	R	90.2	Very high	92.1	Very high	77 Å²	77	60.8 Å²	60.8	29%	0.291	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.8	-174.5	-60.1	-174.9	-175	-95.3	4.9	111.8	M512 V523 L529	M512-R525 PolarHBondContact O-NH2 3.39Å; M512-R525 VanDerWaalsContact O-NH2 3.12Å; V523-R525 HydrophobicContact CG1-CG 4.15Å; R525-L529 CarbonylContact C-O 3.5Å; R525-L529 WeakPolarHBondContact CA-O 3.39Å; R525-L529 VanDerWaalsContact CB-O 3.24Å; R525-L529 WeakPolarHBondContact CB-O 3.26Å
526	Q	88.3	Confident	92.1	Very high	149 Å²	149	63.7 Å²	63.7	70%	0.696	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	97.3	168.9	-165.8	173.8	10.8	0	0	107.6	S528 L529 V531	Q526-S528 PolarHBondContact O-N 3.08Å; Q526-S528 VanDerWaalsContact O-N 3.09Å; Q526-L529 PolarHBondContact N-O 3.36Å; Q526-L529 PolarHBondContact O-N 3.36Å; Q526-L529 VanDerWaalsContact O-N 3.15Å; Q526-V531 HydrophobicContact CB-CG2 3.83Å
527	G	82.1	Confident	92.2	Very high	67 Å²	67	63.9 Å²	63.9	69%	0.691	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-105	-173.6	0	0	0	0	0	113.7	K508	K508-G527 PolarHBondContact NZ-O 3.48Å
528	S	76.4	Confident	92.1	Very high	101 Å²	101	66.9 Å²	66.9	71%	0.706	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-39.8	174.8	52.4	0	0	0	0	112.7	Q526	Q526-S528 PolarHBondContact O-N 3.08Å; Q526-S528 VanDerWaalsContact O-N 3.09Å
529	L	83.4	Confident	92.1	Very high	112 Å²	112	65.9 Å²	65.9	59%	0.586	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.8	-171.2	-174.6	61.5	0	0	0	111.9	R525 Q526	R525-L529 CarbonylContact C-O 3.5Å; R525-L529 WeakPolarHBondContact CA-O 3.39Å; R525-L529 VanDerWaalsContact CB-O 3.24Å; R525-L529 WeakPolarHBondContact CB-O 3.26Å; Q526-L529 PolarHBondContact N-O 3.36Å; Q526-L529 PolarHBondContact O-N 3.36Å; Q526-L529 VanDerWaalsContact O-N 3.15Å
530	K	87.6	Confident	91.8	Very high	78 Å²	78	72.1 Å²	72.1	34%	0.339	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.3	168.8	-167.4	-164	-81.5	-160.4	0	107.8	S513 V523 Y532 G533	S513-K530 WeakPolarHBondContact OG-CE 3.34Å; S513-K530 PolarHBondContact OG-NZ 2.82Å; V523-K530 HydrophobicContact CG1-CD 3.84Å; V523-K530 HydrophobicContact CG1-CG 3.61Å; K530-Y532 VanDerWaalsContact CD-O 3.3Å; K530-Y532 WeakPolarHBondContact CD-O 3.31Å; K530-Y532 WeakPolarHBondContact CG-O 3.29Å; K530-G533 PolarHBondContact NZ-O 3.23Å
531	V	92.6	Very high	91.7	Very high	95 Å²	95	72 Å²	72	58%	0.576	41%	0.414	S	S	*	.	S	Bend	trans	-97.3	-35.4	-179.3	-178.5	0	0	0	0	110.8	L524 Q526	L524-V531 PolarHBondContact O-N 2.88Å; Q526-V531 HydrophobicContact CB-CG2 3.83Å
532	Y	92.7	Very high	91.7	Very high	112 Å²	112	71.6 Å²	71.6	44%	0.439	41%	0.41	S	S	.	.	S	Bend	trans	-124	138.4	172.1	175.2	-119.1	0	0	0	110.8	D522 L524 K530 G534	D522-Y532 WeakPolarHBondContact O-CD1 3.35Å; L524-Y532 HydrophobicContact CG-CD1 4.47Å; L524-Y532 PolarHBondContact O-N 3.37Å; K530-Y532 VanDerWaalsContact CD-O 3.3Å; K530-Y532 WeakPolarHBondContact CD-O 3.31Å; K530-Y532 WeakPolarHBondContact CG-O 3.29Å; Y532-G534 PolarHBondContact O-N 2.87Å
533	G	90.3	Very high	91.8	Very high	37 Å²	37	69.4 Å²	69.4	38%	0.381	40%	0.396	S	S	.	.			trans	-52.2	-38.8	-176.7	0	0	0	0	0	114.1	N520 K530	N520-G533 PolarHBondContact ND2-O 3.23Å; K530-G533 PolarHBondContact NZ-O 3.23Å
534	G	94.4	Very high	91.9	Very high	8 Å²	8	71.3 Å²	71.3	8%	0.082	41%	0.406	C	S	.	.			trans	79.7	154.6	-162.6	0	0	0	0	0	112.3	N520 S521 Y532	N520-G534 PolarHBondContact ND2-O 3.27Å; S521-G534 CarbonylContact O-C 3.49Å; S521-G534 WeakPolarHBondContact O-CA 3.35Å; Y532-G534 PolarHBondContact O-N 2.87Å
535	T	96.1	Very high	92.1	Very high	69 Å²	69	66.6 Å²	66.6	42%	0.423	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.1	177.1	-52.6	0	0	0	0	109.9	N520 S521	N520-T535 CarbonylContact C-O 3.44Å; N520-T535 WeakPolarHBondContact CA-O 3.45Å; N520-T535 WeakPolarHBondContact CB-O 3.39Å; S521-T535 PolarHBondContact N-O 3.19Å; S521-T535 PolarHBondContact O-N 2.9Å; S521-T535 PolarHBondContact OG-O 2.76Å
536	P	96.2	Very high	92.4	Very high	85 Å²	85	63 Å²	63	55%	0.552	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.1	175.2	28.2	-34.4	0	0	0	111.2
537	L	96.3	Very high	92.8	Very high	42 Å²	42	60.9 Å²	60.9	22%	0.22	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-94.1	149.2	172.3	-65.3	178.3	0	0	0	110.6	M512 L519 T539 H548	M512-L537 HydrophobicContact CE-CD1 3.45Å; M512-L537 VanDerWaalsContact CE-CD1 3.45Å; L519-L537 HydrophobicContact CD2-CD1 4.19Å; L519-L537 HydrophobicContact CG-CD1 4.33Å; L519-L537 PolarHBondContact O-N 3.16Å; L537-T539 PolarHBondContact O-N 3.09Å; L537-H548 HydrophobicContact CD1-CB 4.15Å
538	P	94.7	Very high	93.6	Very high	100 Å²	100	60.8 Å²	60.8	65%	0.649	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-65.3	123.5	171.8	27.6	-33.6	0	0	0	110.2	H548	P538-H548 PolarHBondContact O-NE2 2.97Å
539	T	95.4	Very high	94.5	Very high	10 Å²	10	56 Å²	56	6%	0.061	31%	0.313	C	S	.	.			trans	-136.3	88.1	174.1	57.6	0	0	0	0	108.7	A487 L519 L537 D544 V545	A487-T539 WeakPolarHBondContact CB-O 3.49Å; L519-T539 HydrophobicContact CB-CG2 4.26Å; L537-T539 PolarHBondContact O-N 3.09Å; T539-D544 HydrophobicContact CG2-CB 4.2Å; T539-V545 HydrophobicContact CG2-CG2 3.83Å
540	L	92.1	Very high	95.1	Very high	132 Å²	132	51.9 Å²	51.9	69%	0.691	30%	0.297	S	S	*	.	S	Bend	trans	-79.4	-34	179.3	-62.8	175.5	0	0	0	110.6	L197 D544	L197-L540 WeakPolarHBondContact CD1-O 3.39Å; L540-D544 PolarHBondContact N-OD2 3.46Å
541	T	96	Very high	95.4	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.11	28%	0.284	C	S	.	.	S	Bend	trans	-120.1	162.3	-179.1	69.5	0	0	0	0	110.9	A487 K543 D544	A487-T541 VanDerWaalsContact CB-C 3.44Å; A487-T541 WeakPolarHBondContact CB-O 3.42Å; T541-K543 PolarHBondContact O-N 3.19Å; T541-K543 PolarHBondContact OG1-N 2.81Å; T541-D544 PolarHBondContact N-OD2 3.18Å; T541-D544 PolarHBondContact O-N 2.98Å; T541-D544 VanDerWaalsContact OG1-CG 3.27Å; T541-D544 PolarHBondContact OG1-N 3.18Å; T541-D544 PolarHBondContact OG1-OD2 3.47Å
542	E	96.8	Very high	95.5	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-33.3	168.7	-65.1	-170.3	123.5	0	0	111.5	R406 L490 M491 D544 V545 F546 F553 R559	R406-E542 IonicContact CZ-OE1 2.85Å; R406-E542 IonicContact CZ-OE2 3.65Å; R406-E542 VanDerWaalsContact NH1-CD 3.26Å; R406-E542 IonicContact NH1-OE1 3.63Å; R406-E542 PolarHBondContact NH1-OE1 3.36Å; R406-E542 IonicContact NH1-OE2 3.26Å; R406-E542 PolarHBondContact NH1-OE2 2.77Å; R406-E542 VanDerWaalsContact NH1-OE2 3.09Å; R406-E542 IonicContact NH2-OE1 3.17Å; R406-E542 IonicContact NH2-OE2 3.95Å; R406-E542 PolarHBondContact NH2-OE2 2.93Å; L490-E542 HydrophobicContact CD2-CG 4.15Å; L490-E542 HydrophobicContact CG-CG 4.31Å; M491-E542 VanDerWaalsContact CA-OE1 3.24Å; M491-E542 WeakPolarHBondContact CA-OE1 3.42Å; M491-E542 HydrophobicContact CB-CG 4.37Å; M491-E542 PolarHBondContact N-OE1 3.44Å; E542-D544 VanDerWaalsContact C-N 3.33Å; E542-D544 PolarHBondContact O-N 3.25Å; E542-V545 WeakPolarHBondContact O-CB 3.38Å; E542-V545 PolarHBondContact O-N 3.24Å; E542-F546 VanDerWaalsContact O-CD2 3.3Å; E542-F546 WeakPolarHBondContact O-CD2 3.21Å; E542-F553 HydrophobicContact CB-CE2 3.82Å; E542-F553 HydrophobicContact CB-CZ 4.33Å; E542-R559 VanDerWaalsContact CD-NH1 3.34Å; E542-R559 IonicContact OE1-CZ 3.87Å; E542-R559 IonicContact OE1-NH1 2.7Å; E542-R559 PolarHBondContact OE1-NH1 3.46Å; E542-R559 IonicContact OE1-NH2 3.78Å; E542-R559 IonicContact OE2-CZ 3.54Å; E542-R559 IonicContact OE2-NH1 3.8Å; E542-R559 PolarHBondContact OE2-NH1 3.27Å; E542-R559 IonicContact OE2-NH2 2.77Å; E542-R559 PolarHBondContact OE2-NH2 3.12Å
543	K	97.2	Very high	95.6	Very high	54 Å²	54	43.1 Å²	43.1	24%	0.235	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-37.4	-177.6	-83.9	-178.1	-179.6	167.4	0	113	G200 T541 V545 F546 T547 F553	G200-K543 WeakPolarHBondContact O-CD 3.49Å; G200-K543 WeakPolarHBondContact O-CE 3.38Å; G200-K543 PolarHBondContact O-NZ 3.01Å; T541-K543 PolarHBondContact O-N 3.19Å; T541-K543 PolarHBondContact OG1-N 2.81Å; K543-V545 PolarHBondContact O-N 3.41Å; K543-F546 PolarHBondContact O-N 3.3Å; K543-F546 VanDerWaalsContact O-N 3.07Å; K543-T547 PolarHBondContact O-N 3.17Å; K543-T547 PolarHBondContact O-OG1 2.91Å; K543-T547 VanDerWaalsContact O-OG1 3.1Å; K543-F553 HydrophobicContact CB-CD2 4.26Å; K543-F553 HydrophobicContact CB-CE2 4.49Å; K543-F553 HydrophobicContact CD-CD1 4.23Å; K543-F553 HydrophobicContact CD-CD2 4.43Å; K543-F553 HydrophobicContact CD-CE1 4.47Å; K543-F553 HydrophobicContact CD-CG 4.18Å; K543-F553 HydrophobicContact CG-CB 4.12Å; K543-F553 HydrophobicContact CG-CD1 3.98Å; K543-F553 HydrophobicContact CG-CD2 3.36Å; K543-F553 HydrophobicContact CG-CE1 4.15Å; K543-F553 HydrophobicContact CG-CE2 3.61Å; K543-F553 HydrophobicContact CG-CG 3.55Å; K543-F553 HydrophobicContact CG-CZ 3.98Å
544	D	97.4	Very high	95.8	Very high	45 Å²	45	43.9 Å²	43.9	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-40	177.8	-57.3	-41.6	0	0	0	111.5	T539 L540 T541 E542 F546 T547 H548	T539-D544 HydrophobicContact CG2-CB 4.2Å; L540-D544 PolarHBondContact N-OD2 3.46Å; T541-D544 PolarHBondContact N-OD2 3.18Å; T541-D544 PolarHBondContact O-N 2.98Å; T541-D544 VanDerWaalsContact OG1-CG 3.27Å; T541-D544 PolarHBondContact OG1-N 3.18Å; T541-D544 PolarHBondContact OG1-OD2 3.47Å; E542-D544 VanDerWaalsContact C-N 3.33Å; E542-D544 PolarHBondContact O-N 3.25Å; D544-F546 VanDerWaalsContact C-N 3.34Å; D544-F546 PolarHBondContact O-N 3.49Å; D544-T547 PolarHBondContact O-N 2.86Å; D544-H548 WeakPolarHBondContact O-CB 3.29Å; D544-H548 PolarHBondContact O-CD2 2.91Å; D544-H548 PolarHBondContact O-N 2.87Å
545	V	97.8	Very high	95.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-41	178.1	-169.1	0	0	0	0	111.5	M491 M503 L514 L519 T539 E542 K543 L549	M491-V545 HydrophobicContact CE-CB 4.46Å; M491-V545 HydrophobicContact CE-CG1 3.72Å; M491-V545 HydrophobicContact SD-CB 4.47Å; M491-V545 HydrophobicContact SD-CG1 4.09Å; M503-V545 HydrophobicContact CE-CG1 4.37Å; L514-V545 HydrophobicContact CD1-CG1 3.98Å; L519-V545 HydrophobicContact CD2-CG1 4.26Å; T539-V545 HydrophobicContact CG2-CG2 3.83Å; E542-V545 WeakPolarHBondContact O-CB 3.38Å; E542-V545 PolarHBondContact O-N 3.24Å; K543-V545 PolarHBondContact O-N 3.41Å; V545-L549 HydrophobicContact CG1-CD1 4.13Å; V545-L549 WeakPolarHBondContact O-CB 3.29Å; V545-L549 WeakPolarHBondContact O-CD1 3.35Å; V545-L549 WeakPolarHBondContact O-CG 3.2Å; V545-L549 PolarHBondContact O-N 2.71Å; V545-L549 VanDerWaalsContact O-N 3.13Å
546	F	97.2	Very high	95.9	Very high	1 Å²	1	44 Å²	44	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-71.3	-39.9	177.2	-73	-109.8	0	0	0	111.6	M491 F499 M503 E542 K543 D544 L549 G550 I551 P552 F553 R554	M491-F546 HydrophobicContact SD-CE2 4.19Å; F499-F546 HydrophobicContact CE1-CZ 4.18Å; F499-F546 AromaticContact CZ-CE1 3.78Å; F499-F546 HydrophobicContact CZ-CE1 3.78Å; F499-F546 AromaticContact CZ-CZ 3.6Å; F499-F546 HydrophobicContact CZ-CZ 3.6Å; M503-F546 HydrophobicContact CE-CD1 4.09Å; M503-F546 HydrophobicContact CE-CD2 3.96Å; M503-F546 HydrophobicContact CE-CE1 4.04Å; M503-F546 HydrophobicContact CE-CE2 3.91Å; M503-F546 HydrophobicContact CE-CG 4.09Å; M503-F546 HydrophobicContact CE-CZ 3.98Å; E542-F546 VanDerWaalsContact O-CD2 3.3Å; E542-F546 WeakPolarHBondContact O-CD2 3.21Å; K543-F546 PolarHBondContact O-N 3.3Å; K543-F546 VanDerWaalsContact O-N 3.07Å; D544-F546 VanDerWaalsContact C-N 3.34Å; D544-F546 PolarHBondContact O-N 3.49Å; F546-L549 CarbonylContact O-C 3.59Å; F546-L549 PolarHBondContact O-N 3.12Å; F546-G550 PolarHBondContact O-N 3.48Å; F546-I551 HydrophobicContact CB-CG1 4.2Å; F546-I551 HydrophobicContact CD1-CD1 3.64Å; F546-I551 HydrophobicContact CD1-CG1 3.92Å; F546-I551 HydrophobicContact CE1-CD1 4.25Å; F546-I551 HydrophobicContact CG-CD1 4.37Å; F546-I551 HydrophobicContact CG-CG1 4.41Å; F546-I551 PolarHBondContact O-N 2.84Å; F546-I551 VanDerWaalsContact O-N 3.12Å; F546-P552 WeakPolarHBondContact CD1-O 3.33Å; F546-F553 HydrophobicContact CB-CD2 4.4Å; F546-F553 HydrophobicContact CD1-CD2 4.35Å; F546-F553 AromaticContact CD2-CD2 3.54Å; F546-F553 HydrophobicContact CD2-CD2 3.54Å; F546-F553 AromaticContact CD2-CE2 3.95Å; F546-F553 HydrophobicContact CD2-CE2 3.95Å; F546-F553 HydrophobicContact CE1-CD2 4.44Å; F546-F553 AromaticContact CE2-CD2 3.65Å; F546-F553 HydrophobicContact CE2-CD2 3.65Å; F546-F553 AromaticContact CE2-CE2 3.73Å; F546-F553 HydrophobicContact CE2-CE2 3.73Å; F546-F553 AromaticContact CG-CD2 3.88Å; F546-F553 HydrophobicContact CG-CD2 3.88Å; F546-F553 HydrophobicContact CZ-CD2 4.1Å; F546-F553 HydrophobicContact CZ-CE2 4.32Å; F546-R554 HydrophobicContact CE1-CB 3.83Å; F546-R554 HydrophobicContact CE1-CG 4.04Å; F546-R554 HydrophobicContact CZ-CB 4.11Å
547	T	97.1	Very high	95.9	Very high	104 Å²	104	43.7 Å²	43.7	64%	0.638	24%	0.237	S	C	*	.	H	α-helix	trans	-60.1	-52.5	176.1	-60	0	0	0	0	111.2	K543 D544 L549 G550	K543-T547 PolarHBondContact O-N 3.17Å; K543-T547 PolarHBondContact O-OG1 2.91Å; K543-T547 VanDerWaalsContact O-OG1 3.1Å; D544-T547 PolarHBondContact O-N 2.86Å; T547-L549 VanDerWaalsContact C-N 3.27Å; T547-L549 PolarHBondContact O-N 2.89Å; T547-G550 WeakPolarHBondContact O-CA 3.48Å; T547-G550 PolarHBondContact O-N 2.78Å
548	H	97.4	Very high	95.7	Very high	66 Å²	66	42.8 Å²	42.8	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-35.8	175.6	-71	-50.8	0	0	0	112.5	M512 L519 L537 P538 D544 G550	M512-H548 HydrophobicContact CE-CB 4.16Å; L519-H548 HydrophobicContact CD2-CB 3.49Å; L519-H548 VanDerWaalsContact CD2-CB 3.49Å; L537-H548 HydrophobicContact CD1-CB 4.15Å; P538-H548 PolarHBondContact O-NE2 2.97Å; D544-H548 WeakPolarHBondContact O-CB 3.29Å; D544-H548 PolarHBondContact O-CD2 2.91Å; D544-H548 PolarHBondContact O-N 2.87Å; H548-G550 VanDerWaalsContact C-N 3.29Å; H548-G550 PolarHBondContact O-N 2.82Å
549	L	95.9	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-77.5	-9.9	174.6	-68.6	174.1	0	0	0	113.6	M503 L506 A507 K510 M512 L519 V545 F546 T547 I551	M503-L549 HydrophobicContact CE-CD1 3.68Å; M503-L549 HydrophobicContact SD-CD1 3.91Å; L506-L549 HydrophobicContact CD2-CB 4.15Å; A507-L549 HydrophobicContact CB-CD2 3.69Å; K510-L549 VanDerWaalsContact CE-O 3.27Å; K510-L549 WeakPolarHBondContact CE-O 3.41Å; K510-L549 PolarHBondContact NZ-O 3.02Å; M512-L549 HydrophobicContact SD-CD2 3.88Å; L519-L549 HydrophobicContact CD1-CD2 4.28Å; V545-L549 HydrophobicContact CG1-CD1 4.13Å; V545-L549 WeakPolarHBondContact O-CB 3.29Å; V545-L549 WeakPolarHBondContact O-CD1 3.35Å; V545-L549 WeakPolarHBondContact O-CG 3.2Å; V545-L549 PolarHBondContact O-N 2.71Å; V545-L549 VanDerWaalsContact O-N 3.13Å; F546-L549 CarbonylContact O-C 3.59Å; F546-L549 PolarHBondContact O-N 3.12Å; T547-L549 VanDerWaalsContact C-N 3.27Å; T547-L549 PolarHBondContact O-N 2.89Å; L549-I551 HydrophobicContact CB-CD1 4.47Å; L549-I551 HydrophobicContact CB-CG1 4.09Å
550	G	95.6	Very high	95.2	Very high	25 Å²	25	39.4 Å²	39.4	26%	0.258	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	43.3	178.7	0	0	0	0	0	113.6	F546 T547 H548	F546-G550 PolarHBondContact O-N 3.48Å; T547-G550 WeakPolarHBondContact O-CA 3.48Å; T547-G550 PolarHBondContact O-N 2.78Å; H548-G550 VanDerWaalsContact C-N 3.29Å; H548-G550 PolarHBondContact O-N 2.82Å
551	I	94.3	Very high	94.4	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.056	18%	0.183	C	C	.	.	S	Bend	trans	-131.4	152.5	176.8	52.8	165	0	0	0	110.1	A229 M503 L506 F546 L549	A229-I551 HydrophobicContact CB-CB 4.29Å; A229-I551 HydrophobicContact CB-CG2 3.88Å; M503-I551 HydrophobicContact CE-CD1 4.09Å; M503-I551 HydrophobicContact SD-CD1 3.53Å; M503-I551 VanDerWaalsContact SD-CD1 3.53Å; L506-I551 HydrophobicContact CD2-CD1 3.94Å; L506-I551 HydrophobicContact CD2-CG1 4.31Å; L506-I551 HydrophobicContact CD2-CG2 3.64Å; F546-I551 HydrophobicContact CB-CG1 4.2Å; F546-I551 HydrophobicContact CD1-CD1 3.64Å; F546-I551 HydrophobicContact CD1-CG1 3.92Å; F546-I551 HydrophobicContact CE1-CD1 4.25Å; F546-I551 HydrophobicContact CG-CD1 4.37Å; F546-I551 HydrophobicContact CG-CG1 4.41Å; F546-I551 PolarHBondContact O-N 2.84Å; F546-I551 VanDerWaalsContact O-N 3.12Å; L549-I551 HydrophobicContact CB-CD1 4.47Å; L549-I551 HydrophobicContact CB-CG1 4.09Å
552	P	94.1	Very high	94.3	Very high	54 Å²	54	36.3 Å²	36.3	35%	0.351	19%	0.187	S	C	.	.			trans	-65.1	140.5	175.4	28.5	-35.7	0	0	0	110.6	F546	F546-P552 WeakPolarHBondContact CD1-O 3.33Å
553	F	96	Very high	94.1	Very high	37 Å²	37	37.7 Å²	37.7	16%	0.162	20%	0.195	C	C	.	.			trans	-53.7	151.5	172.2	-172.4	-114.2	0	0	0	111.9	E542 K543 F546 E555	E542-F553 HydrophobicContact CB-CE2 3.82Å; E542-F553 HydrophobicContact CB-CZ 4.33Å; K543-F553 HydrophobicContact CB-CD2 4.26Å; K543-F553 HydrophobicContact CB-CE2 4.49Å; K543-F553 HydrophobicContact CD-CD1 4.23Å; K543-F553 HydrophobicContact CD-CD2 4.43Å; K543-F553 HydrophobicContact CD-CE1 4.47Å; K543-F553 HydrophobicContact CD-CG 4.18Å; K543-F553 HydrophobicContact CG-CB 4.12Å; K543-F553 HydrophobicContact CG-CD1 3.98Å; K543-F553 HydrophobicContact CG-CD2 3.36Å; K543-F553 HydrophobicContact CG-CE1 4.15Å; K543-F553 HydrophobicContact CG-CE2 3.61Å; K543-F553 HydrophobicContact CG-CG 3.55Å; K543-F553 HydrophobicContact CG-CZ 3.98Å; F546-F553 HydrophobicContact CB-CD2 4.4Å; F546-F553 HydrophobicContact CD1-CD2 4.35Å; F546-F553 AromaticContact CD2-CD2 3.54Å; F546-F553 HydrophobicContact CD2-CD2 3.54Å; F546-F553 AromaticContact CD2-CE2 3.95Å; F546-F553 HydrophobicContact CD2-CE2 3.95Å; F546-F553 HydrophobicContact CE1-CD2 4.44Å; F546-F553 AromaticContact CE2-CD2 3.65Å; F546-F553 HydrophobicContact CE2-CD2 3.65Å; F546-F553 AromaticContact CE2-CE2 3.73Å; F546-F553 HydrophobicContact CE2-CE2 3.73Å; F546-F553 AromaticContact CG-CD2 3.88Å; F546-F553 HydrophobicContact CG-CD2 3.88Å; F546-F553 HydrophobicContact CZ-CD2 4.1Å; F546-F553 HydrophobicContact CZ-CE2 4.32Å; F553-E555 VanDerWaalsContact CE1-OE1 3.29Å; F553-E555 WeakPolarHBondContact CE1-OE1 3.43Å; F553-E555 WeakPolarHBondContact CE1-OE2 3.4Å
554	R	94.6	Very high	94	Very high	52 Å²	52	36.8 Å²	36.8	20%	0.196	19%	0.192	C	C	.	.			trans	-130.6	126.2	175.1	-68.5	-66.2	128.3	-147.6	-2.7	109.3	F499 F546 E558 R559	F499-R554 HydrophobicContact CE2-CB 4.5Å; F546-R554 HydrophobicContact CE1-CB 3.83Å; F546-R554 HydrophobicContact CE1-CG 4.04Å; F546-R554 HydrophobicContact CZ-CB 4.11Å; R554-E558 WeakPolarHBondContact CA-OE2 3.48Å; R554-E558 HydrophobicContact CB-CB 4.09Å; R554-E558 IonicContact CZ-OE1 2.59Å; R554-E558 IonicContact CZ-OE2 3.76Å; R554-E558 VanDerWaalsContact NH1-CD 3.33Å; R554-E558 IonicContact NH1-OE1 3.53Å; R554-E558 PolarHBondContact NH1-OE1 3.19Å; R554-E558 IonicContact NH1-OE2 3.92Å; R554-E558 PolarHBondContact NH1-OE2 2.66Å; R554-R559 HydrophobicContact CB-CG 4.2Å; R554-R559 VanDerWaalsContact O-CZ 3.3Å; R554-R559 PolarHBondContact O-NE 3.16Å; R554-R559 PolarHBondContact O-NH2 2.87Å
555	E	96.3	Very high	93.8	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	19%	0.19	S	C	.	.			trans	-63.6	152.9	172.9	-60.2	-54.7	152.7	0	0	110.2	F553 Q557 E558 R559	F553-E555 VanDerWaalsContact CE1-OE1 3.29Å; F553-E555 WeakPolarHBondContact CE1-OE1 3.43Å; F553-E555 WeakPolarHBondContact CE1-OE2 3.4Å; E555-Q557 PolarHBondContact O-N 2.73Å; E555-Q557 VanDerWaalsContact O-N 3.07Å; E555-E558 HydrophobicContact CB-CG 4.27Å; E555-E558 PolarHBondContact N-OE2 2.97Å; E555-E558 WeakPolarHBondContact O-CA 3.41Å; E555-E558 VanDerWaalsContact O-CB 3.28Å; E555-E558 WeakPolarHBondContact O-CB 3.46Å; E555-E558 PolarHBondContact O-N 3.26Å; E555-R559 WeakPolarHBondContact O-CG 3.49Å
556	P	96.5	Very high	93.5	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.052	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-50.3	-37.2	-175.9	-32.6	38.9	0	0	0	115.2	R406 R407 T494 E558 R559	R406-P556 HydrophobicContact CG-CB 3.96Å; R406-P556 HydrophobicContact CG-CG 4.04Å; R406-P556 VanDerWaalsContact O-CB 3.26Å; R406-P556 WeakPolarHBondContact O-CB 3.47Å; R407-P556 VanDerWaalsContact CG-O 3.31Å; R407-P556 WeakPolarHBondContact CG-O 3.2Å; T494-P556 HydrophobicContact CG2-CB 3.89Å; T494-P556 HydrophobicContact CG2-CG 4.48Å; P556-E558 PolarHBondContact O-N 3.36Å; P556-R559 WeakPolarHBondContact O-CB 3.42Å; P556-R559 PolarHBondContact O-N 3.25Å
557	Q	94.9	Very high	93.3	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.369	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-71	-14.9	178.9	-55.9	80.5	-2.7	0	0	112.9	S232 Q233 E555	S232-Q557 PolarHBondContact OG-O 3.47Å; S232-Q557 VanDerWaalsContact OG-O 3.04Å; Q233-Q557 VanDerWaalsContact NE2-CB 3.31Å; E555-Q557 PolarHBondContact O-N 2.73Å; E555-Q557 VanDerWaalsContact O-N 3.07Å
558	E	92.1	Very high	93	Very high	24 Å²	24	36.6 Å²	36.6	11%	0.112	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-91.9	0.9	173.4	-55.6	-169.5	89.2	0	0	113.7	S231 S232 Q233 R554 E555 P556	S231-E558 WeakPolarHBondContact CB-OE1 3.03Å; S231-E558 WeakPolarHBondContact OG-CG 3.41Å; S231-E558 PolarHBondContact OG-OE1 3.08Å; S232-E558 WeakPolarHBondContact CB-O 3.2Å; S232-E558 PolarHBondContact N-O 2.81Å; S232-E558 WeakPolarHBondContact OG-CA 3.38Å; S232-E558 PolarHBondContact OG-O 2.66Å; S232-E558 VanDerWaalsContact OG-O 3.08Å; Q233-E558 HydrophobicContact CG-CG 4.23Å; R554-E558 WeakPolarHBondContact CA-OE2 3.48Å; R554-E558 HydrophobicContact CB-CB 4.09Å; R554-E558 IonicContact CZ-OE1 2.59Å; R554-E558 IonicContact CZ-OE2 3.76Å; R554-E558 VanDerWaalsContact NH1-CD 3.33Å; R554-E558 IonicContact NH1-OE1 3.53Å; R554-E558 PolarHBondContact NH1-OE1 3.19Å; R554-E558 IonicContact NH1-OE2 3.92Å; R554-E558 PolarHBondContact NH1-OE2 2.66Å; E555-E558 HydrophobicContact CB-CG 4.27Å; E555-E558 PolarHBondContact N-OE2 2.97Å; E555-E558 WeakPolarHBondContact O-CA 3.41Å; E555-E558 VanDerWaalsContact O-CB 3.28Å; E555-E558 WeakPolarHBondContact O-CB 3.46Å; E555-E558 PolarHBondContact O-N 3.26Å; P556-E558 PolarHBondContact O-N 3.36Å
559	R	92.8	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.			trans	-101.9	13.5	-176.1	-51.7	179.6	-163.7	165.9	6	113.6	S232 G495 S496 F499 E542 R554 E555 P556 W561	S232-R559 PolarHBondContact OG-N 3.46Å; G495-R559 WeakPolarHBondContact O-CB 3.37Å; S496-R559 WeakPolarHBondContact CB-O 3.45Å; S496-R559 PolarHBondContact N-O 3.02Å; F499-R559 HydrophobicContact CB-CB 4.34Å; F499-R559 WeakPolarHBondContact CB-O 3.41Å; F499-R559 HydrophobicContact CD1-CB 4.13Å; F499-R559 HydrophobicContact CD1-CG 4.3Å; F499-R559 HydrophobicContact CD2-CB 3.76Å; F499-R559 HydrophobicContact CD2-CG 4.03Å; F499-R559 HydrophobicContact CE1-CB 4.45Å; F499-R559 HydrophobicContact CE1-CG 4.11Å; F499-R559 HydrophobicContact CE2-CB 4.09Å; F499-R559 HydrophobicContact CE2-CG 3.81Å; F499-R559 HydrophobicContact CG-CB 3.81Å; F499-R559 HydrophobicContact CG-CG 4.29Å; F499-R559 HydrophobicContact CZ-CB 4.44Å; F499-R559 HydrophobicContact CZ-CG 3.88Å; E542-R559 VanDerWaalsContact CD-NH1 3.34Å; E542-R559 IonicContact OE1-CZ 3.87Å; E542-R559 IonicContact OE1-NH1 2.7Å; E542-R559 PolarHBondContact OE1-NH1 3.46Å; E542-R559 IonicContact OE1-NH2 3.78Å; E542-R559 IonicContact OE2-CZ 3.54Å; E542-R559 IonicContact OE2-NH1 3.8Å; E542-R559 PolarHBondContact OE2-NH1 3.27Å; E542-R559 IonicContact OE2-NH2 2.77Å; E542-R559 PolarHBondContact OE2-NH2 3.12Å; R554-R559 HydrophobicContact CB-CG 4.2Å; R554-R559 VanDerWaalsContact O-CZ 3.3Å; R554-R559 PolarHBondContact O-NE 3.16Å; R554-R559 PolarHBondContact O-NH2 2.87Å; E555-R559 WeakPolarHBondContact O-CG 3.49Å; P556-R559 WeakPolarHBondContact O-CB 3.42Å; P556-R559 PolarHBondContact O-N 3.25Å; R559-W561 PolarHBondContact O-N 2.97Å
560	D	86.5	Confident	92.4	Very high	39 Å²	39	37.3 Å²	37.3	21%	0.209	19%	0.19	C	C	.	.			trans	-91.6	87.1	-173.9	-159.5	71.4	0	0	0	112	S232 K235 R407 K409	S232-D560 WeakPolarHBondContact CB-O 3.47Å; S232-D560 PolarHBondContact OG-N 3.45Å; K235-D560 PolarHBondContact NZ-O 3.28Å; R407-D560 IonicContact CZ-OD1 3.48Å; R407-D560 VanDerWaalsContact CZ-OD1 3.3Å; R407-D560 IonicContact NE-OD1 2.69Å; R407-D560 PolarHBondContact NE-OD1 3.01Å; R407-D560 IonicContact NH2-OD1 3.12Å; R407-D560 PolarHBondContact NH2-OD1 2.98Å; K409-D560 VanDerWaalsContact CE-OD1 3.29Å; K409-D560 WeakPolarHBondContact CE-OD1 3.29Å; K409-D560 WeakPolarHBondContact CE-OD2 3.27Å; K409-D560 IonicContact NZ-OD1 3.86Å; K409-D560 IonicContact NZ-OD2 2.72Å; K409-D560 PolarHBondContact NZ-OD2 2.67Å
561	W	74.9	Confident	92.1	Very high	47 Å²	47	38.4 Å²	38.4	18%	0.178	18%	0.183	C	C	.	.			trans	-128.2	0	-174.3	-80.3	100.5	0	0	0	113.5	V227 Q230 S496 H498 R559	V227-W561 HydrophobicContact CB-CD2 4.48Å; V227-W561 HydrophobicContact CG1-CB 3.58Å; V227-W561 HydrophobicContact CG1-CD2 3.54Å; V227-W561 HydrophobicContact CG1-CE3 4.01Å; V227-W561 HydrophobicContact CG1-CG 3.36Å; V227-W561 HydrophobicContact CG2-CD2 4.37Å; V227-W561 HydrophobicContact CG2-CE3 4.08Å; V227-W561 HydrophobicContact CG2-CZ3 4.25Å; Q230-W561 HydrophobicContact CB-CZ2 3.84Å; Q230-W561 PolarHBondContact O-NE1 3.19Å; S496-W561 WeakPolarHBondContact CB-O 3.45Å; S496-W561 PolarHBondContact OG-N 3.06Å; S496-W561 PolarHBondContact OG-O 3.1Å; H498-W561 HydrophobicContact CB-CB 4.35Å; H498-W561 WeakPolarHBondContact CB-O 3.27Å; R559-W561 PolarHBondContact O-N 2.97Å

Retrieved 561 of 561 residues in 2052.5 ms (Link to these results)

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