A0A087Y5S4_POEFO Loading...

Kelch-like ECH-associated protein 1b

Substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex that regulates the response to oxidative stress by targeting nfe2l2/nrf2 for ubiquitination. Keap1 acts as a key sensor of oxidative and electrophilic stress: in normal conditions, the BCR(KEAP1) complex mediates ubiquitination and degradation of nfe2l2/nrf2, a transcription factor regulating expression of many cytoprotective genes. In response to oxidative stress, different electrophile metabolites trigger non-enzymatic covalent modifications of highly reactive cysteine residues in KEAP1, leading to inactivate the ubiquitin ligase activity of the BCR(KEAP1) complex, promoting nfe2l2/nrf2 nuclear accumulation and expression of phase II detoxifying enzymes.

AlphaFold DB , UniProt , Accession A0A087Y5S4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 615 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	Q	36.1	Very low	37.8	Very low	249 Å²	249	155.5 Å²	155.5	100%	1.164	80%	0.798	S	S	*	*				0	82.9	0	-163.1	178.2	11.9	0	0	105.9
2	E	30.4	Very low	39.4	Very low	202 Å²	202	145.7 Å²	145.7	94%	0.944	76%	0.758	S	S	*	*			trans	-160.8	98.4	164.2	-115.5	169.8	-162.5	0	0	105.2
3	M	32.1	Very low	40.8	Very low	167 Å²	167	142.3 Å²	142.3	82%	0.823	74%	0.741	S	S	*	*			trans	-102.4	144.2	177.5	-133.7	-167.8	-40.7	0	0	106.1
4	T	37.6	Very low	42.1	Very low	118 Å²	118	138 Å²	138	72%	0.724	72%	0.723	S	S	*	*			trans	65	110	150.8	46.6	0	0	0	0	118.1
5	E	32	Very low	43.4	Very low	185 Å²	185	134.5 Å²	134.5	86%	0.864	71%	0.71	S	S	*	*				-164.1	89.3	112.3	-103.8	172.6	-168.8	0	0	109
6	C	32.3	Very low	44.3	Very low	119 Å²	119	133.3 Å²	133.3	80%	0.804	71%	0.713	S	S	*	*			trans	-97.4	99.7	163.2	-154.8	0	0	0	0	106.3	T8	C6-T8 VanDerWaalsContact C-N 3.3Å; C6-T8 PolarHBondContact O-N 2.92Å
7	L	35.8	Very low	45	Very low	152 Å²	152	129.1 Å²	129.1	80%	0.796	70%	0.696	S	S	*	*			trans	-66.2	87.2	174.2	-79.7	154.1	0	0	0	109.3	E9	L7-E9 PolarHBondContact O-N 2.99Å
8	T	39.8	Very low	45.6	Very low	116 Å²	116	128.9 Å²	128.9	71%	0.712	70%	0.7	S	S	*	*			trans	-83.8	83	161.5	27.2	0	0	0	0	108.6	C6 C10	C6-T8 VanDerWaalsContact C-N 3.3Å; C6-T8 PolarHBondContact O-N 2.92Å; T8-C10 PolarHBondContact O-N 2.83Å
9	E	43.1	Very low	46	Very low	172 Å²	172	133.1 Å²	133.1	80%	0.804	71%	0.705	S	S	*	*			trans	-63.6	90.7	162.9	-83.7	-171.2	155.2	0	0	108.9	L7 K11	L7-E9 PolarHBondContact O-N 2.99Å; E9-K11 PolarHBondContact O-N 3.1Å; E9-K11 VanDerWaalsContact O-N 3.14Å
10	C	49.1	Very low	46.6	Very low	62 Å²	62	134.2 Å²	134.2	42%	0.419	71%	0.711	S	S	.	*			trans	-69	105.6	171.3	-79.4	0	0	0	0	109	T8 A12 L29 S31	T8-C10 PolarHBondContact O-N 2.83Å; C10-A12 PolarHBondContact O-N 3.29Å; C10-L29 HydrophobicContact CB-CD1 3.6Å; C10-S31 PolarHBondContact SG-OG 3.18Å
11	K	47.8	Very low	47.3	Very low	168 Å²	168	131.7 Å²	131.7	73%	0.73	72%	0.717	S	S	*	*			trans	-68.3	98.4	171.7	-72.6	-178.5	179.4	176	0	109.3	E9	E9-K11 PolarHBondContact O-N 3.1Å; E9-K11 VanDerWaalsContact O-N 3.14Å
12	A	56.6	Low	48.4	Very low	38 Å²	38	126.6 Å²	126.6	31%	0.314	69%	0.693	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	123.2	168.6	0	0	0	0	0	109.5	C10 Y27 T28	C10-A12 PolarHBondContact O-N 3.29Å; A12-Y27 HydrophobicContact CB-CD2 4.05Å; A12-Y27 HydrophobicContact CB-CE2 3.4Å; A12-T28 WeakPolarHBondContact CA-O 3.48Å
13	L	57	Low	49.8	Very low	102 Å²	102	128.6 Å²	128.6	53%	0.534	69%	0.692	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	126	173.5	-88.4	155	0	0	0	109.6	E30	L13-E30 WeakPolarHBondContact CD1-OE1 3.4Å
14	V	59.6	Low	51	Low	82 Å²	82	124.5 Å²	124.5	50%	0.497	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.5	115.9	179.7	-177.1	0	0	0	0	108.8	F25	V14-F25 HydrophobicContact CG1-CD2 4.43Å; V14-F25 HydrophobicContact CG1-CE2 3.88Å
15	T	60.9	Low	52.7	Low	85 Å²	85	126.3 Å²	126.3	52%	0.521	68%	0.675	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116	106.4	-179.1	-29.8	0	0	0	0	109.9	S26	T15-S26 PolarHBondContact O-OG 3.3Å
16	P	58.5	Low	54.5	Low	116 Å²	116	119.9 Å²	119.9	75%	0.753	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.2	129.5	173.4	26.7	-29.4	0	0	0	110.1
17	S	55.7	Low	56.8	Low	61 Å²	61	120.5 Å²	120.5	43%	0.427	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.9	140.4	170.6	77.6	0	0	0	0	111.9	V24	S17-V24 PolarHBondContact O-N 3.43Å
18	T	55.7	Low	58.7	Low	127 Å²	127	117.2 Å²	117.2	78%	0.779	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	98.6	171.6	46.2	0	0	0	0	108.8
19	R	54.8	Low	60.9	Low	207 Å²	207	114.5 Å²	114.5	78%	0.781	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113	125.6	166.5	-113.4	-178.2	174.7	-171.4	-1.1	108	G21 H22	R19-G21 PolarHBondContact O-N 2.97Å; R19-H22 PolarHBondContact O-N 2.83Å
20	N	57.3	Low	62.6	Low	155 Å²	155	111.8 Å²	111.8	83%	0.829	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.2	38.2	174.4	-62	-5.4	0	0	0	116.3	H22	N20-H22 PolarHBondContact O-CD2 3.36Å; N20-H22 PolarHBondContact O-N 3.44Å; N20-H22 VanDerWaalsContact O-N 3.15Å
21	G	61.6	Low	64.4	Low	82 Å²	82	111.2 Å²	111.2	85%	0.845	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.5	-0.2	173.7	0	0	0	0	0	115.7	R19	R19-G21 PolarHBondContact O-N 2.97Å
22	H	59	Low	66.3	Low	143 Å²	143	108.9 Å²	108.9	66%	0.662	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.1	132.3	172.1	-65.3	-70.6	0	0	0	110.6	R19 N20 V24	R19-H22 PolarHBondContact O-N 2.83Å; N20-H22 PolarHBondContact O-CD2 3.36Å; N20-H22 PolarHBondContact O-N 3.44Å; N20-H22 VanDerWaalsContact O-N 3.15Å; H22-V24 PolarHBondContact O-N 3.36Å
23	R	58.8	Low	67.7	Low	243 Å²	243	111.4 Å²	111.4	92%	0.917	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.6	118.5	171.7	-74.3	-178.8	172.6	175.7	-2.6	108.5
24	V	58.9	Low	69.2	Low	82 Å²	82	110.7 Å²	110.7	50%	0.497	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	129.9	174.1	-178.2	0	0	0	0	108.6	S17 H22	S17-V24 PolarHBondContact O-N 3.43Å; H22-V24 PolarHBondContact O-N 3.36Å
25	F	72.8	Confident	70.6	Confident	155 Å²	155	109.1 Å²	109.1	68%	0.68	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108	116.1	179.1	-179.6	-96	0	0	0	109	V14	V14-F25 HydrophobicContact CG1-CD2 4.43Å; V14-F25 HydrophobicContact CG1-CE2 3.88Å
26	S	69.3	Low	72.1	Confident	50 Å²	50	106.5 Å²	106.5	35%	0.35	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	120.6	171.8	64.3	0	0	0	0	109.9	T15	T15-S26 PolarHBondContact O-OG 3.3Å
27	Y	80.4	Confident	73.7	Confident	133 Å²	133	104.1 Å²	104.1	52%	0.522	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	124.5	173.3	173.1	-91	0	0	0	108.9	A12 L29	A12-Y27 HydrophobicContact CB-CD2 4.05Å; A12-Y27 HydrophobicContact CB-CE2 3.4Å; Y27-L29 HydrophobicContact CE1-CB 4.12Å
28	T	76.8	Confident	75.5	Confident	83 Å²	83	103.6 Å²	103.6	51%	0.509	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	126.7	179.5	-50.4	0	0	0	0	109.6	A12	A12-T28 WeakPolarHBondContact CA-O 3.48Å
29	L	84.9	Confident	77.3	Confident	58 Å²	58	102 Å²	102	30%	0.304	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	101.1	176.2	-176.9	64.9	0	0	0	109.5	C10 Y27 S31 H32	C10-L29 HydrophobicContact CB-CD1 3.6Å; Y27-L29 HydrophobicContact CE1-CB 4.12Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.46Å; L29-H32 HydrophobicContact CB-CB 4.33Å; L29-H32 HydrophobicContact CD2-CB 4.06Å; L29-H32 HydrophobicContact CG-CB 4.16Å; L29-H32 WeakPolarHBondContact O-CB 3.37Å; L29-H32 PolarHBondContact O-N 3.47Å
30	E	80.4	Confident	79.2	Confident	116 Å²	116	94.7 Å²	94.7	54%	0.542	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32	-173.7	-66	-173.9	162.1	0	0	113.6	L13 H32 T33	L13-E30 WeakPolarHBondContact CD1-OE1 3.4Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 3.44Å; E30-T33 PolarHBondContact O-OG1 3.15Å
31	S	84.9	Confident	81	Confident	49 Å²	49	88.7 Å²	88.7	34%	0.343	48%	0.483	S	S	.	.	H	α-helix	trans	-74.6	-17.1	-178.6	56.9	0	0	0	0	114	C10 L29 T33 S34 A35	C10-S31 PolarHBondContact SG-OG 3.18Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.46Å; S31-T33 VanDerWaalsContact C-N 3.34Å; S31-T33 PolarHBondContact O-N 3.41Å; S31-S34 PolarHBondContact O-N 3.14Å; S31-A35 WeakPolarHBondContact O-CB 3.47Å; S31-A35 PolarHBondContact O-N 3.33Å
32	H	88.3	Confident	82.5	Confident	120 Å²	120	90.5 Å²	90.5	56%	0.556	47%	0.469	S	S	*	.	H	α-helix	trans	-61.8	-41.7	-172.8	-178.5	57.3	0	0	0	112.5	L29 E30 A35 A36	L29-H32 HydrophobicContact CB-CB 4.33Å; L29-H32 HydrophobicContact CD2-CB 4.06Å; L29-H32 HydrophobicContact CG-CB 4.16Å; L29-H32 WeakPolarHBondContact O-CB 3.37Å; L29-H32 PolarHBondContact O-N 3.47Å; E30-H32 VanDerWaalsContact C-N 3.3Å; E30-H32 PolarHBondContact O-N 3.44Å; H32-A35 PolarHBondContact O-N 3.42Å; H32-A36 VanDerWaalsContact O-CB 3.29Å; H32-A36 WeakPolarHBondContact O-CB 3.29Å; H32-A36 PolarHBondContact O-N 3.39Å
33	T	87.1	Confident	84.3	Confident	91 Å²	91	85.7 Å²	85.7	56%	0.558	45%	0.448	S	S	*	.	H	α-helix	trans	-65.2	-47.7	-179.4	52.3	0	0	0	0	111	E30 S31 A35 A36 F37	E30-T33 PolarHBondContact O-OG1 3.15Å; S31-T33 VanDerWaalsContact C-N 3.34Å; S31-T33 PolarHBondContact O-N 3.41Å; T33-A35 PolarHBondContact O-N 3.29Å; T33-A36 PolarHBondContact O-N 2.99Å; T33-F37 WeakPolarHBondContact O-CD2 3.47Å; T33-F37 PolarHBondContact O-N 3.37Å
34	S	87.9	Confident	86	Confident	86 Å²	86	75.4 Å²	75.4	60%	0.601	41%	0.409	S	S	*	.	H	α-helix	trans	-56.9	-47.8	174.7	162.9	0	0	0	0	112	S31 A36 F37 A38	S31-S34 PolarHBondContact O-N 3.14Å; S34-A36 PolarHBondContact O-N 3.45Å; S34-F37 PolarHBondContact O-N 2.99Å; S34-A38 PolarHBondContact O-N 2.88Å
35	A	88.9	Confident	87.7	Confident	49 Å²	49	77 Å²	77	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-64.9	-39.9	179	0	0	0	0	0	112.4	S31 H32 T33 A38 I39	S31-A35 WeakPolarHBondContact O-CB 3.47Å; S31-A35 PolarHBondContact O-N 3.33Å; H32-A35 PolarHBondContact O-N 3.42Å; T33-A35 PolarHBondContact O-N 3.29Å; A35-A38 WeakPolarHBondContact O-CB 3.34Å; A35-A38 PolarHBondContact O-N 3.49Å; A35-I39 WeakPolarHBondContact O-CG1 3.48Å; A35-I39 PolarHBondContact O-N 3.03Å; A35-I39 VanDerWaalsContact O-N 3.08Å
36	A	92.1	Very high	88.7	Confident	30 Å²	30	75.4 Å²	75.4	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-63.8	-42.2	176.7	0	0	0	0	0	112	H32 T33 S34 I39 M40	H32-A36 VanDerWaalsContact O-CB 3.29Å; H32-A36 WeakPolarHBondContact O-CB 3.29Å; H32-A36 PolarHBondContact O-N 3.39Å; T33-A36 PolarHBondContact O-N 2.99Å; S34-A36 PolarHBondContact O-N 3.45Å; A36-I39 PolarHBondContact O-N 3.43Å; A36-M40 HydrophobicContact CB-CE 4.26Å; A36-M40 WeakPolarHBondContact O-CG 3.5Å; A36-M40 PolarHBondContact O-N 3.38Å
37	F	93.1	Very high	89.8	Confident	67 Å²	67	80.4 Å²	80.4	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-67.7	-33.4	175.6	-89	-88.2	0	0	0	113	T33 S34 M40 N41 V72	T33-F37 WeakPolarHBondContact O-CD2 3.47Å; T33-F37 PolarHBondContact O-N 3.37Å; S34-F37 PolarHBondContact O-N 2.99Å; F37-M40 HydrophobicContact CB-CE 4.41Å; F37-M40 HydrophobicContact CD1-CE 4.02Å; F37-M40 HydrophobicContact CD2-CE 3.83Å; F37-M40 HydrophobicContact CE1-CE 4.23Å; F37-M40 HydrophobicContact CE2-CE 4.04Å; F37-M40 HydrophobicContact CG-CE 3.82Å; F37-M40 HydrophobicContact CZ-CE 4.24Å; F37-M40 PolarHBondContact O-N 3.37Å; F37-N41 PolarHBondContact O-N 3.29Å; F37-V72 HydrophobicContact CE1-CG1 4.07Å; F37-V72 HydrophobicContact CE1-CG2 4.38Å
38	A	92.6	Very high	90.4	Very high	50 Å²	50	78.5 Å²	78.5	41%	0.413	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-47.5	171.2	0	0	0	0	0	111.6	S34 A35 M40 N41 E42	S34-A38 PolarHBondContact O-N 2.88Å; A35-A38 WeakPolarHBondContact O-CB 3.34Å; A35-A38 PolarHBondContact O-N 3.49Å; A38-M40 PolarHBondContact O-N 2.94Å; A38-N41 WeakPolarHBondContact O-CB 3.37Å; A38-N41 PolarHBondContact O-N 3.35Å; A38-N41 VanDerWaalsContact O-N 3.12Å; A38-E42 PolarHBondContact O-N 3.08Å
39	I	93.6	Very high	91.1	Very high	94 Å²	94	81.1 Å²	81.1	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-43.1	175.7	-64.8	165.8	0	0	0	110.8	A35 A36 N41 E42 L43	A35-I39 WeakPolarHBondContact O-CG1 3.48Å; A35-I39 PolarHBondContact O-N 3.03Å; A35-I39 VanDerWaalsContact O-N 3.08Å; A36-I39 PolarHBondContact O-N 3.43Å; I39-N41 PolarHBondContact O-N 2.99Å; I39-E42 WeakPolarHBondContact O-CB 3.35Å; I39-E42 PolarHBondContact O-N 3.12Å; I39-L43 HydrophobicContact CG2-CD1 4.2Å; I39-L43 HydrophobicContact CG2-CG 4.44Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.47Å
40	M	94.8	Very high	91.4	Very high	53 Å²	53	80.1 Å²	80.1	26%	0.261	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-32.5	175.9	-73.6	-174	-89.4	0	0	112.5	A36 F37 A38 R44 V72 Y114	A36-M40 HydrophobicContact CB-CE 4.26Å; A36-M40 WeakPolarHBondContact O-CG 3.5Å; A36-M40 PolarHBondContact O-N 3.38Å; F37-M40 HydrophobicContact CB-CE 4.41Å; F37-M40 HydrophobicContact CD1-CE 4.02Å; F37-M40 HydrophobicContact CD2-CE 3.83Å; F37-M40 HydrophobicContact CE1-CE 4.23Å; F37-M40 HydrophobicContact CE2-CE 4.04Å; F37-M40 HydrophobicContact CG-CE 3.82Å; F37-M40 HydrophobicContact CZ-CE 4.24Å; F37-M40 PolarHBondContact O-N 3.37Å; A38-M40 PolarHBondContact O-N 2.94Å; M40-R44 PolarHBondContact O-N 3.33Å; M40-R44 VanDerWaalsContact O-N 3.11Å; M40-V72 HydrophobicContact SD-CG2 3.82Å; M40-Y114 HydrophobicContact CB-CD1 4.2Å; M40-Y114 HydrophobicContact CB-CE1 4.17Å; M40-Y114 WeakPolarHBondContact O-CE1 3.48Å
41	N	94.5	Very high	91.9	Very high	28 Å²	28	78.1 Å²	78.1	15%	0.15	42%	0.421	C	S	.	.	H	α-helix	trans	-70.6	-42.2	174.5	-164.9	35.2	0	0	0	112	F37 A38 I39 R44 L45 Y114	F37-N41 PolarHBondContact O-N 3.29Å; A38-N41 WeakPolarHBondContact O-CB 3.37Å; A38-N41 PolarHBondContact O-N 3.35Å; A38-N41 VanDerWaalsContact O-N 3.12Å; I39-N41 PolarHBondContact O-N 2.99Å; N41-R44 WeakPolarHBondContact O-CB 3.46Å; N41-R44 PolarHBondContact O-N 2.94Å; N41-R44 PolarHBondContact OD1-NE 3.19Å; N41-R44 VanDerWaalsContact OD1-NE 3.16Å; N41-R44 PolarHBondContact OD1-NH2 3.17Å; N41-L45 WeakPolarHBondContact O-CG 3.38Å; N41-L45 PolarHBondContact O-N 3.35Å; N41-Y114 HydrophobicContact CB-CD1 4.02Å; N41-Y114 HydrophobicContact CB-CG 4.28Å
42	E	94.7	Very high	92.3	Very high	121 Å²	121	75.9 Å²	75.9	57%	0.565	41%	0.406	S	S	*	.	H	α-helix	trans	-58.1	-49.1	173.9	-70.9	176.7	175.2	0	0	110.9	A38 I39 R44 L45 E46	A38-E42 PolarHBondContact O-N 3.08Å; I39-E42 WeakPolarHBondContact O-CB 3.35Å; I39-E42 PolarHBondContact O-N 3.12Å; E42-R44 VanDerWaalsContact C-N 3.28Å; E42-R44 PolarHBondContact O-N 3.29Å; E42-L45 PolarHBondContact O-N 3.11Å; E42-L45 VanDerWaalsContact O-N 3.1Å; E42-E46 PolarHBondContact O-N 2.96Å
43	L	94.8	Very high	92.5	Very high	41 Å²	41	71.9 Å²	71.9	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-57.6	-40.6	176.6	-68.3	172.5	0	0	0	112.3	I39 E46 K47 Q48 L49	I39-L43 HydrophobicContact CG2-CD1 4.2Å; I39-L43 HydrophobicContact CG2-CG 4.44Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.47Å; L43-E46 CarbonylContact O-C 3.59Å; L43-E46 PolarHBondContact O-N 2.97Å; L43-K47 PolarHBondContact O-N 3.26Å; L43-Q48 HydrophobicContact CD2-CB 4.09Å; L43-Q48 PolarHBondContact O-N 3.18Å; L43-L49 HydrophobicContact CD1-CD1 4.34Å
44	R	95.3	Very high	92.8	Very high	27 Å²	27	67.6 Å²	67.6	10%	0.102	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.4	179.8	-170.7	65.4	90.6	-1.2	111.7	M40 N41 E42 E46 K47 V67 Y114	M40-R44 PolarHBondContact O-N 3.33Å; M40-R44 VanDerWaalsContact O-N 3.11Å; N41-R44 WeakPolarHBondContact O-CB 3.46Å; N41-R44 PolarHBondContact O-N 2.94Å; N41-R44 PolarHBondContact OD1-NE 3.19Å; N41-R44 VanDerWaalsContact OD1-NE 3.16Å; N41-R44 PolarHBondContact OD1-NH2 3.17Å; E42-R44 VanDerWaalsContact C-N 3.28Å; E42-R44 PolarHBondContact O-N 3.29Å; R44-E46 VanDerWaalsContact C-N 3.27Å; R44-E46 PolarHBondContact O-N 3.38Å; R44-K47 WeakPolarHBondContact O-CA 3.48Å; R44-K47 PolarHBondContact O-N 3Å; R44-V67 WeakPolarHBondContact CG-O 3.3Å; R44-Y114 HydrophobicContact CB-CE1 4.14Å; R44-Y114 VanDerWaalsContact CD-CE2 3.5Å
45	L	93.8	Very high	93.1	Very high	115 Å²	115	67.5 Å²	67.5	60%	0.602	35%	0.349	S	S	*	.	H	α-helix	trans	-64.1	-34.7	179.7	-68.8	172.5	0	0	0	111.6	N41 E42 K47	N41-L45 WeakPolarHBondContact O-CG 3.38Å; N41-L45 PolarHBondContact O-N 3.35Å; E42-L45 PolarHBondContact O-N 3.11Å; E42-L45 VanDerWaalsContact O-N 3.1Å; L45-K47 PolarHBondContact O-N 3.04Å
46	E	94.9	Very high	93.3	Very high	123 Å²	123	65.1 Å²	65.1	58%	0.575	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.3	172.7	-65.4	-173.9	179	0	0	113.9	E42 L43 R44 Q48	E42-E46 PolarHBondContact O-N 2.96Å; L43-E46 CarbonylContact O-C 3.59Å; L43-E46 PolarHBondContact O-N 2.97Å; R44-E46 VanDerWaalsContact C-N 3.27Å; R44-E46 PolarHBondContact O-N 3.38Å; E46-Q48 HydrophobicContact CB-CG 4.07Å; E46-Q48 PolarHBondContact O-N 3.02Å; E46-Q48 PolarHBondContact OE2-NE2 2.87Å
47	K	93.1	Very high	93.2	Very high	155 Å²	155	68.9 Å²	68.9	67%	0.674	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	30.6	-177.1	-45.4	-172.7	177.1	177.4	0	113.7	L43 R44 L45 V67	L43-K47 PolarHBondContact O-N 3.26Å; R44-K47 WeakPolarHBondContact O-CA 3.48Å; R44-K47 PolarHBondContact O-N 3Å; L45-K47 PolarHBondContact O-N 3.04Å; K47-V67 HydrophobicContact CB-CG2 4.48Å; K47-V67 HydrophobicContact CD-CG2 4.48Å; K47-V67 HydrophobicContact CG-CG2 4.03Å
48	Q	91.1	Very high	93.1	Very high	92 Å²	92	68 Å²	68	43%	0.43	33%	0.333	S	S	.	.			trans	-95.3	139	177.9	-65.6	178.9	16.2	0	0	110.4	L43 E46 C50 H69	L43-Q48 HydrophobicContact CD2-CB 4.09Å; L43-Q48 PolarHBondContact O-N 3.18Å; E46-Q48 HydrophobicContact CB-CG 4.07Å; E46-Q48 PolarHBondContact O-N 3.02Å; E46-Q48 PolarHBondContact OE2-NE2 2.87Å; Q48-C50 PolarHBondContact O-N 3.45Å; Q48-H69 PolarHBondContact O-NE2 3.41Å
49	L	91.5	Very high	92.8	Very high	139 Å²	139	73.5 Å²	73.5	73%	0.728	35%	0.348	S	S	*	.	S	Bend	trans	59.5	6.6	178.1	-51.9	177.2	0	0	0	115.8	L43 D51 H69	L43-L49 HydrophobicContact CD1-CD1 4.34Å; L49-D51 PolarHBondContact O-N 3.33Å; L49-H69 PolarHBondContact O-CD2 3.1Å
50	C	91.1	Very high	92.4	Very high	37 Å²	37	77.1 Å²	77.1	25%	0.25	37%	0.368	C	S	.	.			trans	-63.6	125.2	171.8	-64.1	0	0	0	0	110.7	Q48 V67 A68	Q48-C50 PolarHBondContact O-N 3.45Å; C50-V67 HydrophobicContact CB-CB 4.17Å; C50-A68 WeakPolarHBondContact CA-O 3.39Å
51	D	91.9	Very high	92	Very high	74 Å²	74	78.9 Å²	78.9	40%	0.396	38%	0.378	S	S	.	.			trans	-113.9	7.1	-175.9	61.2	-10.6	0	0	0	112.7	L49 A68 H69 K70	L49-D51 PolarHBondContact O-N 3.33Å; D51-A68 PolarHBondContact N-O 2.97Å; D51-H69 VanDerWaalsContact OD1-CA 3.23Å; D51-H69 WeakPolarHBondContact OD1-CA 3.49Å; D51-K70 VanDerWaalsContact O-CE 3.25Å; D51-K70 WeakPolarHBondContact O-CE 3.4Å; D51-K70 WeakPolarHBondContact OD1-CG 3.23Å; D51-K70 PolarHBondContact OD1-N 2.96Å
52	V	92.5	Very high	91.6	Very high	2 Å²	2	85.9 Å²	85.9	1%	0.012	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.5	172.5	64.8	0	0	0	0	112.4	L54 A68 K70 L73 F84 V96	V52-L54 HydrophobicContact CG2-CD2 3.87Å; V52-A68 HydrophobicContact CG1-CB 4.19Å; V52-A68 WeakPolarHBondContact CG1-O 3.31Å; V52-A68 PolarHBondContact N-O 2.66Å; V52-A68 PolarHBondContact O-N 3.16Å; V52-K70 HydrophobicContact CB-CD 4.45Å; V52-K70 HydrophobicContact CB-CG 3.75Å; V52-K70 HydrophobicContact CG1-CG 3.76Å; V52-L73 HydrophobicContact CG1-CD1 4.36Å; V52-F84 HydrophobicContact CG2-CE1 4.23Å; V52-F84 HydrophobicContact CG2-CZ 4.31Å; V52-V96 HydrophobicContact CG2-CG2 3.88Å
53	T	93.8	Very high	91.4	Very high	36 Å²	36	82.5 Å²	82.5	22%	0.221	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.9	167.6	-56.2	0	0	0	0	109.4	D65 F66 V67 E94 L95 V96	T53-D65 HydrophobicContact CG2-CB 3.81Å; T53-F66 CarbonylContact C-O 3.53Å; T53-F66 WeakPolarHBondContact CA-O 3.14Å; T53-V67 HydrophobicContact CG2-CG1 4.39Å; T53-E94 PolarHBondContact N-O 3.3Å; T53-L95 HydrophobicContact CG2-CD1 3.76Å; T53-L95 CarbonylContact O-C 3.35Å; T53-L95 WeakPolarHBondContact O-CA 3.45Å; T53-V96 PolarHBondContact O-N 2.93Å
54	L	93.3	Very high	91.4	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.2	176	-55.5	-177.5	0	0	0	109.4	V52 D65 F66 L73 F80 V96 I98 M106 I110	V52-L54 HydrophobicContact CG2-CD2 3.87Å; L54-D65 CarbonylContact O-C 3.58Å; L54-D65 WeakPolarHBondContact O-CA 3.3Å; L54-F66 HydrophobicContact CB-CB 4.39Å; L54-F66 PolarHBondContact N-O 2.82Å; L54-F66 PolarHBondContact O-N 2.87Å; L54-L73 HydrophobicContact CD1-CD1 3.85Å; L54-F80 HydrophobicContact CD1-CE1 4.28Å; L54-F80 HydrophobicContact CD1-CZ 4.28Å; L54-V96 WeakPolarHBondContact CA-O 3.33Å; L54-V96 HydrophobicContact CD2-CB 3.97Å; L54-V96 HydrophobicContact CD2-CG1 4.41Å; L54-I98 HydrophobicContact CB-CD1 3.96Å; L54-I98 HydrophobicContact CD1-CD1 3.88Å; L54-I98 HydrophobicContact CD2-CD1 4Å; L54-I98 HydrophobicContact CG-CD1 4.16Å; L54-M106 HydrophobicContact CD1-SD 4.38Å; L54-I110 HydrophobicContact CD1-CD1 4.06Å
55	R	93.6	Very high	91.3	Very high	84 Å²	84	85.5 Å²	85.5	32%	0.317	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	100	176.6	179.1	162.7	-70.3	173.3	1.8	110	A63 D65 L95 V96 P97 I98	R55-A63 HydrophobicContact CG-CB 4.02Å; R55-D65 WeakPolarHBondContact CA-OD1 3.4Å; R55-D65 VanDerWaalsContact CB-OD1 3.23Å; R55-D65 WeakPolarHBondContact CB-OD1 3.5Å; R55-D65 WeakPolarHBondContact CG-OD1 3.35Å; R55-D65 IonicContact CZ-OD1 3.87Å; R55-D65 IonicContact CZ-OD2 3.18Å; R55-D65 IonicContact NE-OD1 3.5Å; R55-D65 PolarHBondContact NE-OD1 3.31Å; R55-D65 IonicContact NE-OD2 2.88Å; R55-D65 PolarHBondContact NE-OD2 2.75Å; R55-D65 IonicContact NH2-OD1 2.65Å; R55-D65 IonicContact NH2-OD2 2.95Å; R55-D65 PolarHBondContact NH2-OD2 3.16Å; R55-L95 HydrophobicContact CB-CD1 4.07Å; R55-L95 HydrophobicContact CB-CG 4.34Å; R55-V96 PolarHBondContact N-O 3.45Å; R55-P97 WeakPolarHBondContact O-CA 3.17Å; R55-I98 PolarHBondContact O-N 3.4Å
56	V	93.4	Very high	91.4	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.7	-174.4	-176.9	0	0	0	0	110.6	A63 V64 F66 I98 I101 P103 M106	V56-A63 WeakPolarHBondContact O-CA 3.25Å; V56-V64 PolarHBondContact N-O 3.14Å; V56-V64 PolarHBondContact O-N 3.25Å; V56-F66 HydrophobicContact CB-CD2 4.43Å; V56-F66 HydrophobicContact CB-CE2 4.12Å; V56-F66 HydrophobicContact CG2-CD2 3.68Å; V56-F66 HydrophobicContact CG2-CE2 3.74Å; V56-I98 CarbonylContact C-O 3.53Å; V56-I98 WeakPolarHBondContact CA-O 3.48Å; V56-I98 HydrophobicContact CG2-CB 4.22Å; V56-I98 HydrophobicContact CG2-CG2 4.43Å; V56-I101 HydrophobicContact CG1-CG2 3.79Å; V56-I101 WeakPolarHBondContact CG1-O 3.36Å; V56-P103 HydrophobicContact CG1-CG 4.23Å; V56-M106 HydrophobicContact CG2-CB 4.02Å; V56-M106 HydrophobicContact CG2-CG 3.74Å
57	R	90.6	Very high	91.4	Very high	108 Å²	108	77.2 Å²	77.2	41%	0.408	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	173.4	-57.6	-172	-161.7	127.7	-0.2	110.9	A63 I98 E99 G100	R57-A63 HydrophobicContact CG-CB 3.91Å; R57-I98 PolarHBondContact N-O 3.27Å; R57-E99 IonicContact CZ-OE1 3.52Å; R57-E99 IonicContact NH1-OE1 3.77Å; R57-E99 PolarHBondContact NH1-OE1 3.31Å; R57-G100 PolarHBondContact O-N 3.01Å
58	Y	89.4	Confident	91.5	Very high	50 Å²	50	69.8 Å²	69.8	20%	0.196	35%	0.351	C	S	.	.			trans	-142.2	111.2	177.4	-172.6	-100.9	0	0	0	111.3	D60 L61 I101 H102	Y58-D60 PolarHBondContact O-N 2.92Å; Y58-L61 HydrophobicContact CD1-CD1 4.12Å; Y58-L61 WeakPolarHBondContact O-CB 3.39Å; Y58-L61 PolarHBondContact O-N 2.9Å; Y58-L61 VanDerWaalsContact O-N 3.12Å; Y58-I101 WeakPolarHBondContact CB-O 3.12Å; Y58-I101 VanDerWaalsContact CD2-C 3.5Å; Y58-H102 HydrophobicContact CD1-CB 4.34Å; Y58-H102 AromaticContact CD1-CD2 3.84Å; Y58-H102 HydrophobicContact CG-CB 4.35Å
59	K	87.3	Confident	91.6	Very high	165 Å²	165	66.3 Å²	66.3	72%	0.717	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-132.8	-178.5	-58.7	-178.7	177.4	175.8	0	110.8	L61	K59-L61 VanDerWaalsContact C-N 3.29Å; K59-L61 PolarHBondContact O-N 2.71Å
60	D	84.9	Confident	91.7	Very high	169 Å²	169	61.5 Å²	61.5	90%	0.904	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	8.9	-177.6	-51.2	-53.3	0	0	0	113.5	Y58	Y58-D60 PolarHBondContact O-N 2.92Å
61	L	86.4	Confident	91.7	Very high	90 Å²	90	64.7 Å²	64.7	47%	0.471	33%	0.326	S	S	.	.	S	Bend	trans	-76.9	147.9	176.6	-64.4	174.6	0	0	0	111.1	Y58 K59	Y58-L61 HydrophobicContact CD1-CD1 4.12Å; Y58-L61 WeakPolarHBondContact O-CB 3.39Å; Y58-L61 PolarHBondContact O-N 2.9Å; Y58-L61 VanDerWaalsContact O-N 3.12Å; K59-L61 VanDerWaalsContact C-N 3.29Å; K59-L61 PolarHBondContact O-N 2.71Å
62	E	87.1	Confident	91.8	Very high	176 Å²	176	61.3 Å²	61.3	82%	0.822	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-58.6	142.5	171.7	-67.1	-168.5	161.1	0	0	111.2	V64	E62-V64 PolarHBondContact O-N 3.24Å
63	A	89.1	Confident	91.9	Very high	50 Å²	50	61.2 Å²	61.2	41%	0.413	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-67.4	132	178.7	0	0	0	0	0	110.2	R55 V56 R57	R55-A63 HydrophobicContact CG-CB 4.02Å; V56-A63 WeakPolarHBondContact O-CA 3.25Å; R57-A63 HydrophobicContact CG-CB 3.91Å
64	V	94.8	Very high	91.9	Very high	57 Å²	57	60.4 Å²	60.4	35%	0.345	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.6	178.5	-176.1	0	0	0	0	109.5	V56 E62 F66 P103	V56-V64 PolarHBondContact N-O 3.14Å; V56-V64 PolarHBondContact O-N 3.25Å; E62-V64 PolarHBondContact O-N 3.24Å; V64-F66 HydrophobicContact CB-CE2 3.96Å; V64-F66 HydrophobicContact CB-CZ 4.26Å; V64-F66 HydrophobicContact CG1-CD2 4.38Å; V64-F66 HydrophobicContact CG1-CE1 4.25Å; V64-F66 HydrophobicContact CG1-CE2 3.7Å; V64-F66 HydrophobicContact CG1-CZ 3.62Å; V64-P103 HydrophobicContact CB-CB 4.02Å; V64-P103 HydrophobicContact CB-CG 4.31Å; V64-P103 HydrophobicContact CG2-CB 3.86Å; V64-P103 HydrophobicContact CG2-CG 3.93Å
65	D	93.9	Very high	91.8	Very high	74 Å²	74	64 Å²	64	40%	0.396	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.5	-179.7	-72.8	-11.9	0	0	0	111	T53 L54 R55	T53-D65 HydrophobicContact CG2-CB 3.81Å; L54-D65 CarbonylContact O-C 3.58Å; L54-D65 WeakPolarHBondContact O-CA 3.3Å; R55-D65 WeakPolarHBondContact CA-OD1 3.4Å; R55-D65 VanDerWaalsContact CB-OD1 3.23Å; R55-D65 WeakPolarHBondContact CB-OD1 3.5Å; R55-D65 WeakPolarHBondContact CG-OD1 3.35Å; R55-D65 IonicContact CZ-OD1 3.87Å; R55-D65 IonicContact CZ-OD2 3.18Å; R55-D65 IonicContact NE-OD1 3.5Å; R55-D65 PolarHBondContact NE-OD1 3.31Å; R55-D65 IonicContact NE-OD2 2.88Å; R55-D65 PolarHBondContact NE-OD2 2.75Å; R55-D65 IonicContact NH2-OD1 2.65Å; R55-D65 IonicContact NH2-OD2 2.95Å; R55-D65 PolarHBondContact NH2-OD2 3.16Å
66	F	95.2	Very high	91.8	Very high	23 Å²	23	61.4 Å²	61.4	10%	0.101	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.4	176.2	-61.1	-86.6	0	0	0	110.5	T53 L54 V56 V64 P103 M106 D107 I110	T53-F66 CarbonylContact C-O 3.53Å; T53-F66 WeakPolarHBondContact CA-O 3.14Å; L54-F66 HydrophobicContact CB-CB 4.39Å; L54-F66 PolarHBondContact N-O 2.82Å; L54-F66 PolarHBondContact O-N 2.87Å; V56-F66 HydrophobicContact CB-CD2 4.43Å; V56-F66 HydrophobicContact CB-CE2 4.12Å; V56-F66 HydrophobicContact CG2-CD2 3.68Å; V56-F66 HydrophobicContact CG2-CE2 3.74Å; V64-F66 HydrophobicContact CB-CE2 3.96Å; V64-F66 HydrophobicContact CB-CZ 4.26Å; V64-F66 HydrophobicContact CG1-CD2 4.38Å; V64-F66 HydrophobicContact CG1-CE1 4.25Å; V64-F66 HydrophobicContact CG1-CE2 3.7Å; V64-F66 HydrophobicContact CG1-CZ 3.62Å; F66-P103 HydrophobicContact CE2-CB 4.24Å; F66-P103 HydrophobicContact CZ-CB 4.14Å; F66-P103 WeakPolarHBondContact CZ-O 3.3Å; F66-M106 HydrophobicContact CD2-CG 4.27Å; F66-M106 HydrophobicContact CE2-CB 4.42Å; F66-M106 HydrophobicContact CE2-CG 4.4Å; F66-D107 HydrophobicContact CD1-CB 4.47Å; F66-D107 HydrophobicContact CE1-CB 3.59Å; F66-D107 HydrophobicContact CZ-CB 4.01Å; F66-I110 HydrophobicContact CB-CD1 3.59Å; F66-I110 HydrophobicContact CD1-CD1 4.21Å; F66-I110 HydrophobicContact CG-CD1 3.88Å
67	V	94.6	Very high	91.8	Very high	40 Å²	40	61.5 Å²	61.5	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.4	174.4	-64.3	0	0	0	0	110.8	R44 K47 C50 T53	R44-V67 WeakPolarHBondContact CG-O 3.3Å; K47-V67 HydrophobicContact CB-CG2 4.48Å; K47-V67 HydrophobicContact CD-CG2 4.48Å; K47-V67 HydrophobicContact CG-CG2 4.03Å; C50-V67 HydrophobicContact CB-CB 4.17Å; T53-V67 HydrophobicContact CG2-CG1 4.39Å
68	A	95.4	Very high	92	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	172.9	-178.7	0	0	0	0	0	112.2	C50 D51 V52 L73	C50-A68 WeakPolarHBondContact CA-O 3.39Å; D51-A68 PolarHBondContact N-O 2.97Å; V52-A68 HydrophobicContact CG1-CB 4.19Å; V52-A68 WeakPolarHBondContact CG1-O 3.31Å; V52-A68 PolarHBondContact N-O 2.66Å; V52-A68 PolarHBondContact O-N 3.16Å; A68-L73 HydrophobicContact CB-CD1 3.71Å; A68-L73 HydrophobicContact CB-CG 4.14Å
69	H	94.6	Very high	92.1	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.083	33%	0.329	C	S	.	.			trans	-96.2	124.2	169.7	-51.8	93.4	0	0	0	110.6	Q48 L49 D51 V71 V72 L73 Y114	Q48-H69 PolarHBondContact O-NE2 3.41Å; L49-H69 PolarHBondContact O-CD2 3.1Å; D51-H69 VanDerWaalsContact OD1-CA 3.23Å; D51-H69 WeakPolarHBondContact OD1-CA 3.49Å; H69-V71 HydrophobicContact CB-CG1 4.34Å; H69-V71 PolarHBondContact O-N 3.43Å; H69-V72 HydrophobicContact CB-CB 4.33Å; H69-V72 HydrophobicContact CB-CG2 4.06Å; H69-V72 PolarHBondContact O-N 2.84Å; H69-L73 PolarHBondContact O-N 3.16Å; H69-Y114 WeakPolarHBondContact CB-OH 3.49Å; H69-Y114 PolarHBondContact N-OH 3.22Å; H69-Y114 AromaticContact ND1-CE1 3.6Å; H69-Y114 AromaticContact ND1-CZ 3.67Å; H69-Y114 PolarHBondContact ND1-OH 3.18Å
70	K	91.9	Very high	92.3	Very high	39 Å²	39	51.5 Å²	51.5	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-41.2	178.3	-72.8	178.7	176	176.6	0	111.5	D51 V52 V72 L73 A74 F84 C91 M93	D51-K70 VanDerWaalsContact O-CE 3.25Å; D51-K70 WeakPolarHBondContact O-CE 3.4Å; D51-K70 WeakPolarHBondContact OD1-CG 3.23Å; D51-K70 PolarHBondContact OD1-N 2.96Å; V52-K70 HydrophobicContact CB-CD 4.45Å; V52-K70 HydrophobicContact CB-CG 3.75Å; V52-K70 HydrophobicContact CG1-CG 3.76Å; K70-V72 PolarHBondContact O-N 3.49Å; K70-L73 PolarHBondContact O-N 3.16Å; K70-A74 WeakPolarHBondContact O-CB 3.33Å; K70-A74 PolarHBondContact O-N 3.41Å; K70-F84 HydrophobicContact CB-CD2 3.89Å; K70-F84 HydrophobicContact CB-CE2 4.29Å; K70-F84 HydrophobicContact CB-CG 4.17Å; K70-F84 HydrophobicContact CD-CD1 4.26Å; K70-F84 HydrophobicContact CD-CG 4.3Å; K70-F84 HydrophobicContact CG-CD1 4.17Å; K70-F84 HydrophobicContact CG-CD2 4.07Å; K70-F84 HydrophobicContact CG-CE1 4.34Å; K70-F84 HydrophobicContact CG-CE2 4.25Å; K70-F84 HydrophobicContact CG-CG 4.05Å; K70-F84 HydrophobicContact CG-CZ 4.39Å; K70-C91 PolarHBondContact NZ-O 2.61Å; K70-C91 VanDerWaalsContact NZ-O 3.16Å; K70-M93 PolarHBondContact NZ-O 3.45Å
71	V	92.4	Very high	92.6	Very high	104 Å²	104	51.1 Å²	51.1	63%	0.63	28%	0.281	S	S	*	.	H	α-helix	trans	-63.9	-40.5	-178.5	69.6	0	0	0	0	112.6	H69 S75	H69-V71 HydrophobicContact CB-CG1 4.34Å; H69-V71 PolarHBondContact O-N 3.43Å; V71-S75 WeakPolarHBondContact O-CB 3.32Å; V71-S75 PolarHBondContact O-N 2.82Å
72	V	94.4	Very high	92.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-49.6	179.4	172.3	0	0	0	0	109.7	F37 M40 H69 K70 A74 S75 S76 A113 Y114	F37-V72 HydrophobicContact CE1-CG1 4.07Å; F37-V72 HydrophobicContact CE1-CG2 4.38Å; M40-V72 HydrophobicContact SD-CG2 3.82Å; H69-V72 HydrophobicContact CB-CB 4.33Å; H69-V72 HydrophobicContact CB-CG2 4.06Å; H69-V72 PolarHBondContact O-N 2.84Å; K70-V72 PolarHBondContact O-N 3.49Å; V72-A74 PolarHBondContact O-N 3.18Å; V72-S75 WeakPolarHBondContact O-CB 3.37Å; V72-S75 PolarHBondContact O-N 3.37Å; V72-S75 VanDerWaalsContact O-N 3.1Å; V72-S75 PolarHBondContact O-OG 3.31Å; V72-S76 PolarHBondContact O-N 3.25Å; V72-S76 VanDerWaalsContact O-N 3.16Å; V72-S76 PolarHBondContact O-OG 3.48Å; V72-A113 HydrophobicContact CG1-CB 4.19Å; V72-Y114 HydrophobicContact CB-CE1 4.02Å; V72-Y114 HydrophobicContact CB-CE2 4.18Å; V72-Y114 HydrophobicContact CG1-CD1 3.99Å; V72-Y114 HydrophobicContact CG1-CD2 3.84Å; V72-Y114 HydrophobicContact CG1-CE1 3.76Å; V72-Y114 HydrophobicContact CG1-CE2 3.56Å; V72-Y114 HydrophobicContact CG1-CG 4.03Å; V72-Y114 HydrophobicContact CG2-CD1 4.45Å; V72-Y114 HydrophobicContact CG2-CE1 3.78Å
73	L	93.9	Very high	92.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-41.1	178.4	-64.4	-177.4	0	0	0	112.6	V52 L54 A68 H69 K70 S75 S76 S77 F80 F84 I110 A113	V52-L73 HydrophobicContact CG1-CD1 4.36Å; L54-L73 HydrophobicContact CD1-CD1 3.85Å; A68-L73 HydrophobicContact CB-CD1 3.71Å; A68-L73 HydrophobicContact CB-CG 4.14Å; H69-L73 PolarHBondContact O-N 3.16Å; K70-L73 PolarHBondContact O-N 3.16Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 3.19Å; L73-S76 PolarHBondContact O-N 3.17Å; L73-S76 PolarHBondContact O-OG 3.24Å; L73-S76 VanDerWaalsContact O-OG 3.09Å; L73-S77 PolarHBondContact O-N 3.12Å; L73-S77 VanDerWaalsContact O-N 3.08Å; L73-F80 HydrophobicContact CB-CB 4.06Å; L73-F80 HydrophobicContact CB-CD2 3.85Å; L73-F80 HydrophobicContact CB-CG 3.99Å; L73-F80 HydrophobicContact CD2-CD2 4.42Å; L73-F80 HydrophobicContact CD2-CE2 4.34Å; L73-F80 WeakPolarHBondContact O-CB 3.46Å; L73-F84 HydrophobicContact CB-CE2 4Å; L73-F84 HydrophobicContact CD1-CE2 4.28Å; L73-F84 HydrophobicContact CD1-CZ 4.46Å; L73-I110 HydrophobicContact CD2-CG1 4.26Å; L73-A113 HydrophobicContact CD2-CB 4.17Å
74	A	92.8	Very high	92.6	Very high	18 Å²	18	40.1 Å²	40.1	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-27.9	175.3	0	0	0	0	0	112.9	K70 V72 R81 F84	K70-A74 WeakPolarHBondContact O-CB 3.33Å; K70-A74 PolarHBondContact O-N 3.41Å; V72-A74 PolarHBondContact O-N 3.18Å; A74-R81 HydrophobicContact CB-CB 4.07Å; A74-R81 HydrophobicContact CB-CG 4.33Å; A74-R81 WeakPolarHBondContact O-CB 3.41Å; A74-F84 HydrophobicContact CB-CD2 4.35Å
75	S	92.4	Very high	92	Very high	77 Å²	77	41.4 Å²	41.4	54%	0.538	23%	0.233	S	C	.	.	H	α-helix	trans	-75.1	-30.3	176.1	76.7	0	0	0	0	112.6	V71 V72 L73	V71-S75 WeakPolarHBondContact O-CB 3.32Å; V71-S75 PolarHBondContact O-N 2.82Å; V72-S75 WeakPolarHBondContact O-CB 3.37Å; V72-S75 PolarHBondContact O-N 3.37Å; V72-S75 VanDerWaalsContact O-N 3.1Å; V72-S75 PolarHBondContact O-OG 3.31Å; L73-S75 VanDerWaalsContact C-N 3.26Å; L73-S75 PolarHBondContact O-N 3.19Å
76	S	92.7	Very high	90.6	Very high	29 Å²	29	43.6 Å²	43.6	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-93.6	-17.3	-176.1	66.3	0	0	0	0	114.3	V72 L73 A113	V72-S76 PolarHBondContact O-N 3.25Å; V72-S76 VanDerWaalsContact O-N 3.16Å; V72-S76 PolarHBondContact O-OG 3.48Å; L73-S76 PolarHBondContact O-N 3.17Å; L73-S76 PolarHBondContact O-OG 3.24Å; L73-S76 VanDerWaalsContact O-OG 3.09Å; S76-A113 VanDerWaalsContact OG-CB 3.3Å; S76-A113 WeakPolarHBondContact OG-CB 3.39Å
77	S	95	Very high	89	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	28%	0.275	C	S	.	.			trans	-142.2	124.5	-176	167.6	0	0	0	0	111.6	L73 V79 F80 R81 Y135	L73-S77 PolarHBondContact O-N 3.12Å; L73-S77 VanDerWaalsContact O-N 3.08Å; S77-V79 PolarHBondContact O-N 2.89Å; S77-V79 PolarHBondContact OG-N 3.42Å; S77-V79 VanDerWaalsContact OG-N 3.16Å; S77-F80 VanDerWaalsContact CB-CD2 3.49Å; S77-F80 PolarHBondContact O-N 3.27Å; S77-F80 PolarHBondContact OG-N 3.06Å; S77-R81 WeakPolarHBondContact O-CB 3.21Å; S77-R81 PolarHBondContact O-N 3.32Å; S77-Y135 WeakPolarHBondContact CB-O 3.48Å; S77-Y135 PolarHBondContact OG-O 3.37Å
78	P	93.3	Very high	87.5	Confident	69 Å²	69	48.2 Å²	48.2	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-32.2	170.4	-23.9	33.6	0	0	0	113.3	R81 A82 Q136	P78-R81 WeakPolarHBondContact O-CB 3.23Å; P78-R81 PolarHBondContact O-N 2.78Å; P78-A82 WeakPolarHBondContact O-CB 3.38Å; P78-A82 PolarHBondContact O-N 3.36Å; P78-Q136 WeakPolarHBondContact CD-O 3.38Å; P78-Q136 HydrophobicContact CG-CB 4.3Å
79	V	91.8	Very high	85.9	Confident	39 Å²	39	57 Å²	57	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-48.5	179.1	179.1	0	0	0	0	110.6	S77 R81 A82 M83 Y135 Q136	S77-V79 PolarHBondContact O-N 2.89Å; S77-V79 PolarHBondContact OG-N 3.42Å; S77-V79 VanDerWaalsContact OG-N 3.16Å; V79-R81 VanDerWaalsContact C-N 3.3Å; V79-R81 PolarHBondContact O-N 2.85Å; V79-A82 PolarHBondContact O-N 3.18Å; V79-M83 WeakPolarHBondContact O-CB 3.37Å; V79-M83 PolarHBondContact O-N 2.95Å; V79-Y135 HydrophobicContact CB-CD1 4.38Å; V79-Y135 HydrophobicContact CG1-CD1 4.14Å; V79-Q136 HydrophobicContact CG2-CB 4.1Å; V79-Q136 HydrophobicContact CG2-CG 3.8Å
80	F	91.9	Very high	84.6	Confident	4 Å²	4	59 Å²	59	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-37.6	173.8	-72.4	-47.3	0	0	0	111.8	L54 L73 S77 A82 M83 F84 I98 M106 Y135	L54-F80 HydrophobicContact CD1-CE1 4.28Å; L54-F80 HydrophobicContact CD1-CZ 4.28Å; L73-F80 HydrophobicContact CB-CB 4.06Å; L73-F80 HydrophobicContact CB-CD2 3.85Å; L73-F80 HydrophobicContact CB-CG 3.99Å; L73-F80 HydrophobicContact CD2-CD2 4.42Å; L73-F80 HydrophobicContact CD2-CE2 4.34Å; L73-F80 WeakPolarHBondContact O-CB 3.46Å; S77-F80 VanDerWaalsContact CB-CD2 3.49Å; S77-F80 PolarHBondContact O-N 3.27Å; S77-F80 PolarHBondContact OG-N 3.06Å; F80-A82 PolarHBondContact O-N 2.81Å; F80-M83 HydrophobicContact CD1-CE 4.33Å; F80-M83 HydrophobicContact CD1-SD 4.18Å; F80-M83 WeakPolarHBondContact O-CB 3.37Å; F80-M83 PolarHBondContact O-N 2.87Å; F80-F84 HydrophobicContact CB-CD2 4.28Å; F80-F84 HydrophobicContact CB-CE2 3.88Å; F80-F84 HydrophobicContact CD1-CE2 4.17Å; F80-F84 HydrophobicContact CD1-CZ 4.16Å; F80-F84 HydrophobicContact CG-CE2 4.29Å; F80-F84 WeakPolarHBondContact O-CD2 3.44Å; F80-F84 WeakPolarHBondContact O-CG 3.43Å; F80-F84 PolarHBondContact O-N 3.32Å; F80-I98 HydrophobicContact CE1-CD1 4.3Å; F80-M106 HydrophobicContact CZ-CE 4.29Å; F80-M106 HydrophobicContact CZ-SD 4.23Å; F80-Y135 HydrophobicContact CD1-CD1 4.28Å; F80-Y135 HydrophobicContact CD1-CE1 4.26Å; F80-Y135 HydrophobicContact CD2-CD1 4.32Å; F80-Y135 AromaticContact CE1-CD1 3.73Å; F80-Y135 HydrophobicContact CE1-CD1 3.73Å; F80-Y135 AromaticContact CE1-CE1 3.45Å; F80-Y135 HydrophobicContact CE1-CE1 3.45Å; F80-Y135 VanDerWaalsContact CE1-CE1 3.45Å; F80-Y135 AromaticContact CE2-CD1 3.75Å; F80-Y135 HydrophobicContact CE2-CD1 3.75Å; F80-Y135 HydrophobicContact CE2-CE1 4.23Å; F80-Y135 HydrophobicContact CE2-CG 4.33Å; F80-Y135 AromaticContact CZ-CD1 3.42Å; F80-Y135 HydrophobicContact CZ-CD1 3.42Å; F80-Y135 VanDerWaalsContact CZ-CD1 3.42Å; F80-Y135 AromaticContact CZ-CE1 3.42Å; F80-Y135 HydrophobicContact CZ-CE1 3.42Å; F80-Y135 VanDerWaalsContact CZ-CE1 3.42Å; F80-Y135 HydrophobicContact CZ-CG 4.23Å
81	R	90.8	Very high	83.1	Confident	161 Å²	161	59.8 Å²	59.8	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-58.4	-49.1	174.5	-170.1	175.6	174.6	-168.7	-1.2	111.5	A74 S77 P78 V79 M83 F84 T85	A74-R81 HydrophobicContact CB-CB 4.07Å; A74-R81 HydrophobicContact CB-CG 4.33Å; A74-R81 WeakPolarHBondContact O-CB 3.41Å; S77-R81 WeakPolarHBondContact O-CB 3.21Å; S77-R81 PolarHBondContact O-N 3.32Å; P78-R81 WeakPolarHBondContact O-CB 3.23Å; P78-R81 PolarHBondContact O-N 2.78Å; V79-R81 VanDerWaalsContact C-N 3.3Å; V79-R81 PolarHBondContact O-N 2.85Å; R81-M83 VanDerWaalsContact C-N 3.35Å; R81-M83 PolarHBondContact O-N 2.77Å; R81-F84 PolarHBondContact O-N 3.46Å; R81-T85 HydrophobicContact CG-CG2 4.43Å; R81-T85 WeakPolarHBondContact O-CB 3.37Å; R81-T85 WeakPolarHBondContact O-CG2 3.49Å; R81-T85 PolarHBondContact O-N 2.87Å; R81-T85 PolarHBondContact O-OG1 2.73Å
82	A	88.1	Confident	81.8	Confident	35 Å²	35	58.2 Å²	58.2	29%	0.289	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-44.5	177.6	0	0	0	0	0	111.3	P78 V79 F80 F84 T85 N86	P78-A82 WeakPolarHBondContact O-CB 3.38Å; P78-A82 PolarHBondContact O-N 3.36Å; V79-A82 PolarHBondContact O-N 3.18Å; F80-A82 PolarHBondContact O-N 2.81Å; A82-F84 VanDerWaalsContact C-N 3.29Å; A82-F84 PolarHBondContact O-N 3.39Å; A82-T85 PolarHBondContact O-N 2.85Å; A82-N86 WeakPolarHBondContact O-CB 3.44Å; A82-N86 PolarHBondContact O-N 3.45Å; A82-N86 VanDerWaalsContact O-N 3.1Å
83	M	86.9	Confident	80.8	Confident	32 Å²	32	61.5 Å²	61.5	16%	0.158	36%	0.364	C	S	.	.	H	α-helix	trans	-56	-41	178.1	-173	-176.1	-70	0	0	112.6	V79 F80 R81 E90 V96	V79-M83 WeakPolarHBondContact O-CB 3.37Å; V79-M83 PolarHBondContact O-N 2.95Å; F80-M83 HydrophobicContact CD1-CE 4.33Å; F80-M83 HydrophobicContact CD1-SD 4.18Å; F80-M83 WeakPolarHBondContact O-CB 3.37Å; F80-M83 PolarHBondContact O-N 2.87Å; R81-M83 VanDerWaalsContact C-N 3.35Å; R81-M83 PolarHBondContact O-N 2.77Å; M83-E90 HydrophobicContact CG-CB 3.79Å; M83-E90 HydrophobicContact CG-CG 4.22Å; M83-V96 HydrophobicContact SD-CG1 3.78Å
84	F	87.3	Confident	80.2	Confident	19 Å²	19	69.1 Å²	69.1	8%	0.083	40%	0.4	C	S	.	.	H	α-helix	trans	-95.1	-13.4	-175.2	-55.6	-39.4	0	0	0	115.1	V52 K70 L73 A74 F80 R81 A82 V96	V52-F84 HydrophobicContact CG2-CE1 4.23Å; V52-F84 HydrophobicContact CG2-CZ 4.31Å; K70-F84 HydrophobicContact CB-CD2 3.89Å; K70-F84 HydrophobicContact CB-CE2 4.29Å; K70-F84 HydrophobicContact CB-CG 4.17Å; K70-F84 HydrophobicContact CD-CD1 4.26Å; K70-F84 HydrophobicContact CD-CG 4.3Å; K70-F84 HydrophobicContact CG-CD1 4.17Å; K70-F84 HydrophobicContact CG-CD2 4.07Å; K70-F84 HydrophobicContact CG-CE1 4.34Å; K70-F84 HydrophobicContact CG-CE2 4.25Å; K70-F84 HydrophobicContact CG-CG 4.05Å; K70-F84 HydrophobicContact CG-CZ 4.39Å; L73-F84 HydrophobicContact CB-CE2 4Å; L73-F84 HydrophobicContact CD1-CE2 4.28Å; L73-F84 HydrophobicContact CD1-CZ 4.46Å; A74-F84 HydrophobicContact CB-CD2 4.35Å; F80-F84 HydrophobicContact CB-CD2 4.28Å; F80-F84 HydrophobicContact CB-CE2 3.88Å; F80-F84 HydrophobicContact CD1-CE2 4.17Å; F80-F84 HydrophobicContact CD1-CZ 4.16Å; F80-F84 HydrophobicContact CG-CE2 4.29Å; F80-F84 WeakPolarHBondContact O-CD2 3.44Å; F80-F84 WeakPolarHBondContact O-CG 3.43Å; F80-F84 PolarHBondContact O-N 3.32Å; R81-F84 PolarHBondContact O-N 3.46Å; A82-F84 VanDerWaalsContact C-N 3.29Å; A82-F84 PolarHBondContact O-N 3.39Å; F84-V96 HydrophobicContact CE1-CG2 4.4Å
85	T	81.9	Confident	80	Confident	83 Å²	83	71.4 Å²	71.4	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-115.3	-28.4	-174.9	61.3	0	0	0	0	115.3	R81 A82 G87	R81-T85 HydrophobicContact CG-CG2 4.43Å; R81-T85 WeakPolarHBondContact O-CB 3.37Å; R81-T85 WeakPolarHBondContact O-CG2 3.49Å; R81-T85 PolarHBondContact O-N 2.87Å; R81-T85 PolarHBondContact O-OG1 2.73Å; A82-T85 PolarHBondContact O-N 2.85Å; T85-G87 PolarHBondContact O-N 2.86Å
86	N	65.9	Low	79.8	Confident	121 Å²	121	67.8 Å²	67.8	65%	0.647	38%	0.384	S	S	*	.	S	Bend	trans	-95.7	36.9	-166.8	-81.7	-13.8	0	0	0	115.9	A82 L88	A82-N86 WeakPolarHBondContact O-CB 3.44Å; A82-N86 PolarHBondContact O-N 3.45Å; A82-N86 VanDerWaalsContact O-N 3.1Å; N86-L88 PolarHBondContact O-N 2.77Å
87	G	60.4	Low	79.6	Confident	70 Å²	70	69.4 Å²	69.4	72%	0.722	39%	0.393	S	S	*	.	S	Bend	trans	63	16.1	172.8	0	0	0	0	0	115.4	T85	T85-G87 PolarHBondContact O-N 2.86Å
88	L	62.9	Low	79.4	Confident	90 Å²	90	69.5 Å²	69.5	47%	0.471	39%	0.394	S	S	.	.			trans	-68.6	157.9	169.5	-67.1	169.3	0	0	0	109.9	N86 E90 C91	N86-L88 PolarHBondContact O-N 2.77Å; L88-E90 WeakPolarHBondContact CB-OE2 3.48Å; L88-E90 PolarHBondContact O-N 3.05Å; L88-C91 WeakPolarHBondContact O-CB 3.12Å; L88-C91 PolarHBondContact O-N 3.46Å
89	K	62.9	Low	79.2	Confident	184 Å²	184	72.3 Å²	72.3	80%	0.8	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-54.3	-32.3	-176.1	-95.9	-176	174.6	179.5	0	112.3	C91 M93	K89-C91 VanDerWaalsContact C-N 3.29Å; K89-C91 PolarHBondContact O-N 3.1Å; K89-M93 WeakPolarHBondContact O-CG 3.36Å
90	E	66.1	Low	78.9	Confident	59 Å²	59	72.8 Å²	72.8	28%	0.276	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-70.9	-19.9	-176.3	-61.7	75.2	-165.8	0	0	113.1	M83 L88 G92 M93 V96	M83-E90 HydrophobicContact CG-CB 3.79Å; M83-E90 HydrophobicContact CG-CG 4.22Å; L88-E90 WeakPolarHBondContact CB-OE2 3.48Å; L88-E90 PolarHBondContact O-N 3.05Å; E90-G92 VanDerWaalsContact C-N 3.25Å; E90-G92 PolarHBondContact O-N 3.32Å; E90-M93 HydrophobicContact CG-CE 4.36Å; E90-M93 PolarHBondContact O-N 3.08Å; E90-M93 VanDerWaalsContact O-N 3.12Å; E90-V96 HydrophobicContact CB-CG1 4.5Å; E90-V96 HydrophobicContact CB-CG2 4.34Å; E90-V96 HydrophobicContact CG-CG1 4.11Å
91	C	61.7	Low	78.8	Confident	56 Å²	56	72.9 Å²	72.9	38%	0.378	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-53	-43.5	177	170.5	0	0	0	0	111.9	K70 L88 K89	K70-C91 PolarHBondContact NZ-O 2.61Å; K70-C91 VanDerWaalsContact NZ-O 3.16Å; L88-C91 WeakPolarHBondContact O-CB 3.12Å; L88-C91 PolarHBondContact O-N 3.46Å; K89-C91 VanDerWaalsContact C-N 3.29Å; K89-C91 PolarHBondContact O-N 3.1Å
92	G	64.3	Low	78.9	Confident	72 Å²	72	67.8 Å²	67.8	74%	0.742	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-95.4	2.9	-179.6	0	0	0	0	0	115.1	E90	E90-G92 VanDerWaalsContact C-N 3.25Å; E90-G92 PolarHBondContact O-N 3.32Å
93	M	74.9	Confident	79.1	Confident	70 Å²	70	66.7 Å²	66.7	35%	0.345	39%	0.387	S	S	.	.			trans	-91.5	135.5	-179.2	-61.7	-141.4	-73.7	0	0	111.3	K70 K89 E90 V96	K70-M93 PolarHBondContact NZ-O 3.45Å; K89-M93 WeakPolarHBondContact O-CG 3.36Å; E90-M93 HydrophobicContact CG-CE 4.36Å; E90-M93 PolarHBondContact O-N 3.08Å; E90-M93 VanDerWaalsContact O-N 3.12Å; M93-V96 HydrophobicContact CB-CG2 4.44Å
94	E	79.4	Confident	79.4	Confident	162 Å²	162	72.2 Å²	72.2	76%	0.757	41%	0.406	S	S	*	.	S	Bend	trans	-80.9	-28.7	168.2	-70.1	-177	170.8	0	0	111.4	T53	T53-E94 PolarHBondContact N-O 3.3Å
95	L	88.6	Confident	79.7	Confident	66 Å²	66	71.7 Å²	71.7	35%	0.346	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.9	176.9	-171.9	82.5	0	0	0	110.1	T53 R55	T53-L95 HydrophobicContact CG2-CD1 3.76Å; T53-L95 CarbonylContact O-C 3.35Å; T53-L95 WeakPolarHBondContact O-CA 3.45Å; R55-L95 HydrophobicContact CB-CD1 4.07Å; R55-L95 HydrophobicContact CB-CG 4.34Å
96	V	89.2	Confident	80.3	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116	-179.9	179.8	0	0	0	0	109.7	V52 T53 L54 R55 M83 F84 E90 M93	V52-V96 HydrophobicContact CG2-CG2 3.88Å; T53-V96 PolarHBondContact O-N 2.93Å; L54-V96 WeakPolarHBondContact CA-O 3.33Å; L54-V96 HydrophobicContact CD2-CB 3.97Å; L54-V96 HydrophobicContact CD2-CG1 4.41Å; R55-V96 PolarHBondContact N-O 3.45Å; M83-V96 HydrophobicContact SD-CG1 3.78Å; F84-V96 HydrophobicContact CE1-CG2 4.4Å; E90-V96 HydrophobicContact CB-CG1 4.5Å; E90-V96 HydrophobicContact CB-CG2 4.34Å; E90-V96 HydrophobicContact CG-CG1 4.11Å; M93-V96 HydrophobicContact CB-CG2 4.44Å
97	P	88.9	Confident	81.7	Confident	62 Å²	62	65.2 Å²	65.2	40%	0.403	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.2	175.7	30.5	-32.2	0	0	0	110.5	R55	R55-P97 WeakPolarHBondContact O-CA 3.17Å
98	I	90.3	Very high	83.3	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.8	174.7	-67.1	-177.3	0	0	0	108.4	L54 R55 V56 R57 F80 I101 M106 Y135	L54-I98 HydrophobicContact CB-CD1 3.96Å; L54-I98 HydrophobicContact CD1-CD1 3.88Å; L54-I98 HydrophobicContact CD2-CD1 4Å; L54-I98 HydrophobicContact CG-CD1 4.16Å; R55-I98 PolarHBondContact O-N 3.4Å; V56-I98 CarbonylContact C-O 3.53Å; V56-I98 WeakPolarHBondContact CA-O 3.48Å; V56-I98 HydrophobicContact CG2-CB 4.22Å; V56-I98 HydrophobicContact CG2-CG2 4.43Å; R57-I98 PolarHBondContact N-O 3.27Å; F80-I98 HydrophobicContact CE1-CD1 4.3Å; I98-I101 HydrophobicContact CG2-CG2 3.54Å; I98-M106 HydrophobicContact CD1-CE 3.52Å; I98-M106 HydrophobicContact CG2-CE 3.99Å; I98-Y135 WeakPolarHBondContact CG2-OH 3.47Å
99	E	88.1	Confident	84.9	Confident	127 Å²	127	61.5 Å²	61.5	59%	0.593	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.3	179.5	-58	-166.5	161.7	0	0	111	R57	R57-E99 IonicContact CZ-OE1 3.52Å; R57-E99 IonicContact NH1-OE1 3.77Å; R57-E99 PolarHBondContact NH1-OE1 3.31Å
100	G	85.8	Confident	86.4	Confident	49 Å²	49	52.8 Å²	52.8	51%	0.505	29%	0.287	S	S	.	.	S	Bend	trans	88.2	3.3	169.5	0	0	0	0	0	116.1	R57	R57-G100 PolarHBondContact O-N 3.01Å
101	I	91.4	Very high	87.8	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.036	29%	0.294	C	S	.	.	S	Bend	trans	-120.7	135.9	173.5	-167.8	166.3	0	0	0	111.6	V56 Y58 I98 V105 M106 L109 Y135	V56-I101 HydrophobicContact CG1-CG2 3.79Å; V56-I101 WeakPolarHBondContact CG1-O 3.36Å; Y58-I101 WeakPolarHBondContact CB-O 3.12Å; Y58-I101 VanDerWaalsContact CD2-C 3.5Å; I98-I101 HydrophobicContact CG2-CG2 3.54Å; I101-V105 HydrophobicContact CD1-CB 4.37Å; I101-V105 HydrophobicContact CD1-CG1 3.88Å; I101-V105 HydrophobicContact CG1-CB 4.07Å; I101-V105 HydrophobicContact CG1-CG1 4.07Å; I101-M106 HydrophobicContact CD1-CE 4.26Å; I101-M106 HydrophobicContact CG2-CB 4.41Å; I101-M106 HydrophobicContact CG2-CE 3.8Å; I101-L109 HydrophobicContact CD1-CD1 3.95Å; I101-Y135 HydrophobicContact CD1-CD2 4.09Å; I101-Y135 HydrophobicContact CD1-CE2 3.72Å
102	H	92.1	Very high	89.4	Confident	54 Å²	54	53 Å²	53	25%	0.25	28%	0.282	C	S	.	.			trans	-65.7	134.8	179.7	-171.5	-81.5	0	0	0	110.7	Y58 R104 V105 M106	Y58-H102 HydrophobicContact CD1-CB 4.34Å; Y58-H102 AromaticContact CD1-CD2 3.84Å; Y58-H102 HydrophobicContact CG-CB 4.35Å; H102-R104 VanDerWaalsContact C-N 3.31Å; H102-R104 PolarHBondContact ND1-N 3.37Å; H102-R104 PolarHBondContact O-N 3.44Å; H102-V105 HydrophobicContact CB-CG2 4.11Å; H102-V105 WeakPolarHBondContact O-CA 3.35Å; H102-V105 WeakPolarHBondContact O-CB 3.4Å; H102-V105 PolarHBondContact O-N 2.99Å; H102-M106 PolarHBondContact O-N 3.5Å; H102-M106 VanDerWaalsContact O-N 3.13Å
103	P	92.6	Very high	90.9	Very high	12 Å²	12	50 Å²	50	8%	0.078	25%	0.25	C	S	.	.	H	α-helix	trans	-52.8	-42.4	-176.2	-30.7	35.9	0	0	0	114.4	V56 V64 F66 V105 M106 D107	V56-P103 HydrophobicContact CG1-CG 4.23Å; V64-P103 HydrophobicContact CB-CB 4.02Å; V64-P103 HydrophobicContact CB-CG 4.31Å; V64-P103 HydrophobicContact CG2-CB 3.86Å; V64-P103 HydrophobicContact CG2-CG 3.93Å; F66-P103 HydrophobicContact CE2-CB 4.24Å; F66-P103 HydrophobicContact CZ-CB 4.14Å; F66-P103 WeakPolarHBondContact CZ-O 3.3Å; P103-V105 VanDerWaalsContact C-N 3.26Å; P103-V105 PolarHBondContact O-N 3.32Å; P103-M106 PolarHBondContact O-N 3.28Å; P103-D107 WeakPolarHBondContact O-CB 3.43Å; P103-D107 PolarHBondContact O-N 3.46Å
104	R	92.3	Very high	91.8	Very high	147 Å²	147	46.9 Å²	46.9	56%	0.555	24%	0.235	S	C	*	.	H	α-helix	trans	-62.7	-28.4	175.9	-63.2	179.8	-174.2	-132.7	5.3	114.1	H102 R108	H102-R104 VanDerWaalsContact C-N 3.31Å; H102-R104 PolarHBondContact ND1-N 3.37Å; H102-R104 PolarHBondContact O-N 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.38Å; R104-R108 PolarHBondContact O-N 3.05Å
105	V	93.8	Very high	92.5	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-75.1	-46.1	175.2	177.2	0	0	0	0	109.1	I101 H102 P103 D107 R108 L109 H127 V128	I101-V105 HydrophobicContact CD1-CB 4.37Å; I101-V105 HydrophobicContact CD1-CG1 3.88Å; I101-V105 HydrophobicContact CG1-CB 4.07Å; I101-V105 HydrophobicContact CG1-CG1 4.07Å; H102-V105 HydrophobicContact CB-CG2 4.11Å; H102-V105 WeakPolarHBondContact O-CA 3.35Å; H102-V105 WeakPolarHBondContact O-CB 3.4Å; H102-V105 PolarHBondContact O-N 2.99Å; P103-V105 VanDerWaalsContact C-N 3.26Å; P103-V105 PolarHBondContact O-N 3.32Å; V105-D107 VanDerWaalsContact C-N 3.29Å; V105-D107 PolarHBondContact O-N 3.02Å; V105-R108 PolarHBondContact O-N 3.26Å; V105-L109 HydrophobicContact CG1-CD1 4.2Å; V105-L109 HydrophobicContact CG1-CG 4.31Å; V105-L109 WeakPolarHBondContact O-CG 3.5Å; V105-L109 PolarHBondContact O-N 3.19Å; V105-H127 HydrophobicContact CG2-CB 3.86Å; V105-V128 HydrophobicContact CG1-CG2 4.44Å; V105-V128 HydrophobicContact CG2-CG2 4.34Å
106	M	94.9	Very high	92.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-44.7	176.1	-178.8	58.8	73.1	0	0	111.3	L54 V56 F66 F80 I98 I101 H102 P103 R108 L109 I110 Y135	L54-M106 HydrophobicContact CD1-SD 4.38Å; V56-M106 HydrophobicContact CG2-CB 4.02Å; V56-M106 HydrophobicContact CG2-CG 3.74Å; F66-M106 HydrophobicContact CD2-CG 4.27Å; F66-M106 HydrophobicContact CE2-CB 4.42Å; F66-M106 HydrophobicContact CE2-CG 4.4Å; F80-M106 HydrophobicContact CZ-CE 4.29Å; F80-M106 HydrophobicContact CZ-SD 4.23Å; I98-M106 HydrophobicContact CD1-CE 3.52Å; I98-M106 HydrophobicContact CG2-CE 3.99Å; I101-M106 HydrophobicContact CD1-CE 4.26Å; I101-M106 HydrophobicContact CG2-CB 4.41Å; I101-M106 HydrophobicContact CG2-CE 3.8Å; H102-M106 PolarHBondContact O-N 3.5Å; H102-M106 VanDerWaalsContact O-N 3.13Å; P103-M106 PolarHBondContact O-N 3.28Å; M106-R108 VanDerWaalsContact C-N 3.32Å; M106-R108 PolarHBondContact O-N 3.09Å; M106-L109 PolarHBondContact O-N 2.84Å; M106-L109 VanDerWaalsContact O-N 3.11Å; M106-I110 HydrophobicContact CG-CD1 3.74Å; M106-I110 HydrophobicContact CG-CG1 4.22Å; M106-I110 WeakPolarHBondContact O-CG1 3.47Å; M106-I110 PolarHBondContact O-N 3.42Å; M106-I110 HydrophobicContact SD-CD1 4.04Å; M106-I110 HydrophobicContact SD-CG1 3.98Å; M106-Y135 HydrophobicContact CE-CD2 4.44Å; M106-Y135 HydrophobicContact CE-CE1 4.27Å; M106-Y135 HydrophobicContact CE-CE2 3.64Å; M106-Y135 WeakPolarHBondContact CE-OH 3.41Å
107	D	94.5	Very high	92.9	Very high	68 Å²	68	46 Å²	46	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-54	-47.9	176.1	-168.9	42.1	0	0	0	111.9	F66 P103 V105 L109 I110 E111	F66-D107 HydrophobicContact CD1-CB 4.47Å; F66-D107 HydrophobicContact CE1-CB 3.59Å; F66-D107 HydrophobicContact CZ-CB 4.01Å; P103-D107 WeakPolarHBondContact O-CB 3.43Å; P103-D107 PolarHBondContact O-N 3.46Å; V105-D107 VanDerWaalsContact C-N 3.29Å; V105-D107 PolarHBondContact O-N 3.02Å; D107-L109 PolarHBondContact O-N 3.42Å; D107-I110 PolarHBondContact O-N 2.73Å; D107-E111 WeakPolarHBondContact O-CB 3.4Å; D107-E111 PolarHBondContact O-N 3.11Å
108	R	95	Very high	93.1	Very high	78 Å²	78	44.7 Å²	44.7	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-37.8	176.1	-72.7	-179.8	-175.6	-159.2	3.8	113.6	R104 V105 M106 F112 I118 S119 C124	R104-R108 WeakPolarHBondContact O-CG 3.38Å; R104-R108 PolarHBondContact O-N 3.05Å; V105-R108 PolarHBondContact O-N 3.26Å; M106-R108 VanDerWaalsContact C-N 3.32Å; M106-R108 PolarHBondContact O-N 3.09Å; R108-F112 WeakPolarHBondContact O-CB 3.47Å; R108-F112 PolarHBondContact O-N 3.2Å; R108-I118 HydrophobicContact CB-CD1 4.4Å; R108-I118 HydrophobicContact CB-CG1 4.47Å; R108-S119 PolarHBondContact NH1-O 3.33Å; R108-C124 PolarHBondContact NH1-SG 3.08Å
109	L	95.7	Very high	93.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-36.7	177.8	-64.8	-179.4	0	0	0	111.5	I101 V105 M106 D107 A113 I118 A132 Y135 I137 V140	I101-L109 HydrophobicContact CD1-CD1 3.95Å; V105-L109 HydrophobicContact CG1-CD1 4.2Å; V105-L109 HydrophobicContact CG1-CG 4.31Å; V105-L109 WeakPolarHBondContact O-CG 3.5Å; V105-L109 PolarHBondContact O-N 3.19Å; M106-L109 PolarHBondContact O-N 2.84Å; M106-L109 VanDerWaalsContact O-N 3.11Å; D107-L109 PolarHBondContact O-N 3.42Å; L109-A113 PolarHBondContact O-N 3.15Å; L109-I118 HydrophobicContact CD2-CD1 4.37Å; L109-A132 HydrophobicContact CD2-CB 4.32Å; L109-Y135 HydrophobicContact CD1-CD2 4.22Å; L109-I137 HydrophobicContact CB-CD1 4.27Å; L109-I137 HydrophobicContact CD2-CD1 4.23Å; L109-V140 HydrophobicContact CD2-CG1 4.16Å
110	I	95.3	Very high	93.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-50.2	172.3	-65.7	169.9	0	0	0	109	L54 F66 L73 M106 D107 F112 A113 Y114	L54-I110 HydrophobicContact CD1-CD1 4.06Å; F66-I110 HydrophobicContact CB-CD1 3.59Å; F66-I110 HydrophobicContact CD1-CD1 4.21Å; F66-I110 HydrophobicContact CG-CD1 3.88Å; L73-I110 HydrophobicContact CD2-CG1 4.26Å; M106-I110 HydrophobicContact CG-CD1 3.74Å; M106-I110 HydrophobicContact CG-CG1 4.22Å; M106-I110 WeakPolarHBondContact O-CG1 3.47Å; M106-I110 PolarHBondContact O-N 3.42Å; M106-I110 HydrophobicContact SD-CD1 4.04Å; M106-I110 HydrophobicContact SD-CG1 3.98Å; D107-I110 PolarHBondContact O-N 2.73Å; I110-F112 PolarHBondContact O-N 3.13Å; I110-A113 WeakPolarHBondContact O-CA 3.11Å; I110-A113 VanDerWaalsContact O-CB 3.31Å; I110-A113 WeakPolarHBondContact O-CB 3.33Å; I110-A113 PolarHBondContact O-N 3.46Å; I110-Y114 HydrophobicContact CG2-CD2 4.19Å; I110-Y114 HydrophobicContact CG2-CE2 4.04Å; I110-Y114 VanDerWaalsContact O-CD2 3.3Å; I110-Y114 WeakPolarHBondContact O-CD2 3.34Å; I110-Y114 PolarHBondContact O-N 3.3Å
111	E	94.8	Very high	93.4	Very high	91 Å²	91	43.3 Å²	43.3	43%	0.425	24%	0.243	S	C	.	.	H	α-helix	trans	-54.2	-43.5	176.5	-174	178	-159.7	0	0	111.5	D107 A113 Y114 T115	D107-E111 WeakPolarHBondContact O-CB 3.4Å; D107-E111 PolarHBondContact O-N 3.11Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 2.96Å; E111-Y114 PolarHBondContact O-N 2.87Å; E111-T115 HydrophobicContact CG-CG2 4.1Å; E111-T115 WeakPolarHBondContact O-CB 3.37Å; E111-T115 WeakPolarHBondContact O-CG2 3.38Å; E111-T115 PolarHBondContact O-N 3.03Å; E111-T115 PolarHBondContact O-OG1 2.9Å
112	F	96	Very high	93.1	Very high	28 Å²	28	49.7 Å²	49.7	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-41.4	173.9	176.6	-95.8	0	0	0	112.6	R108 I110 Y114 T115 A116 I118 I137 S139 V140	R108-F112 WeakPolarHBondContact O-CB 3.47Å; R108-F112 PolarHBondContact O-N 3.2Å; I110-F112 PolarHBondContact O-N 3.13Å; F112-Y114 PolarHBondContact O-N 2.83Å; F112-T115 PolarHBondContact O-N 3.5Å; F112-A116 VanDerWaalsContact O-CA 3.3Å; F112-A116 WeakPolarHBondContact O-CA 3.45Å; F112-A116 PolarHBondContact O-N 2.87Å; F112-I118 HydrophobicContact CB-CB 4.41Å; F112-I118 HydrophobicContact CD2-CB 3.97Å; F112-I118 HydrophobicContact CD2-CG2 4.18Å; F112-I137 HydrophobicContact CD1-CG2 3.9Å; F112-I137 HydrophobicContact CE1-CG2 3.62Å; F112-S139 WeakPolarHBondContact CE1-OG 3.29Å; F112-S139 WeakPolarHBondContact CZ-OG 3.36Å; F112-V140 HydrophobicContact CB-CG2 4.49Å; F112-V140 HydrophobicContact CD1-CG2 3.55Å; F112-V140 HydrophobicContact CD2-CG2 3.83Å; F112-V140 HydrophobicContact CE1-CG2 3.66Å; F112-V140 HydrophobicContact CE2-CG2 3.92Å; F112-V140 HydrophobicContact CG-CG2 3.65Å; F112-V140 HydrophobicContact CZ-CG2 3.85Å
113	A	95.5	Very high	92.8	Very high	9 Å²	9	53.5 Å²	53.5	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-28	178.5	0	0	0	0	0	113.2	V72 L73 S76 L109 I110 E111	V72-A113 HydrophobicContact CG1-CB 4.19Å; L73-A113 HydrophobicContact CD2-CB 4.17Å; S76-A113 VanDerWaalsContact OG-CB 3.3Å; S76-A113 WeakPolarHBondContact OG-CB 3.39Å; L109-A113 PolarHBondContact O-N 3.15Å; I110-A113 WeakPolarHBondContact O-CA 3.11Å; I110-A113 VanDerWaalsContact O-CB 3.31Å; I110-A113 WeakPolarHBondContact O-CB 3.33Å; I110-A113 PolarHBondContact O-N 3.46Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 2.96Å
114	Y	94.9	Very high	92.7	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-95.7	-31.8	178.4	-74.9	-94.8	0	0	0	113.7	M40 N41 R44 H69 V72 I110 E111 F112	M40-Y114 HydrophobicContact CB-CD1 4.2Å; M40-Y114 HydrophobicContact CB-CE1 4.17Å; M40-Y114 WeakPolarHBondContact O-CE1 3.48Å; N41-Y114 HydrophobicContact CB-CD1 4.02Å; N41-Y114 HydrophobicContact CB-CG 4.28Å; R44-Y114 HydrophobicContact CB-CE1 4.14Å; R44-Y114 VanDerWaalsContact CD-CE2 3.5Å; H69-Y114 WeakPolarHBondContact CB-OH 3.49Å; H69-Y114 PolarHBondContact N-OH 3.22Å; H69-Y114 AromaticContact ND1-CE1 3.6Å; H69-Y114 AromaticContact ND1-CZ 3.67Å; H69-Y114 PolarHBondContact ND1-OH 3.18Å; V72-Y114 HydrophobicContact CB-CE1 4.02Å; V72-Y114 HydrophobicContact CB-CE2 4.18Å; V72-Y114 HydrophobicContact CG1-CD1 3.99Å; V72-Y114 HydrophobicContact CG1-CD2 3.84Å; V72-Y114 HydrophobicContact CG1-CE1 3.76Å; V72-Y114 HydrophobicContact CG1-CE2 3.56Å; V72-Y114 HydrophobicContact CG1-CG 4.03Å; V72-Y114 HydrophobicContact CG2-CD1 4.45Å; V72-Y114 HydrophobicContact CG2-CE1 3.78Å; I110-Y114 HydrophobicContact CG2-CD2 4.19Å; I110-Y114 HydrophobicContact CG2-CE2 4.04Å; I110-Y114 VanDerWaalsContact O-CD2 3.3Å; I110-Y114 WeakPolarHBondContact O-CD2 3.34Å; I110-Y114 PolarHBondContact O-N 3.3Å; E111-Y114 PolarHBondContact O-N 2.87Å; F112-Y114 PolarHBondContact O-N 2.83Å
115	T	93.9	Very high	92.7	Very high	55 Å²	55	47.3 Å²	47.3	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-108.7	-15.4	-169.6	65.7	0	0	0	0	113.8	E111 F112 S117	E111-T115 HydrophobicContact CG-CG2 4.1Å; E111-T115 WeakPolarHBondContact O-CB 3.37Å; E111-T115 WeakPolarHBondContact O-CG2 3.38Å; E111-T115 PolarHBondContact O-N 3.03Å; E111-T115 PolarHBondContact O-OG1 2.9Å; F112-T115 PolarHBondContact O-N 3.5Å; T115-S117 PolarHBondContact O-N 3.31Å; T115-S117 VanDerWaalsContact O-N 3.14Å; T115-S117 PolarHBondContact OG1-N 2.93Å; T115-S117 VanDerWaalsContact OG1-N 3.16Å; T115-S117 PolarHBondContact OG1-O 3.16Å
116	A	92.2	Very high	92.5	Very high	81 Å²	81	50.6 Å²	50.6	67%	0.669	29%	0.285	S	S	*	.	S	Bend	trans	54.4	19.7	-166.8	0	0	0	0	0	114.1	F112	F112-A116 VanDerWaalsContact O-CA 3.3Å; F112-A116 WeakPolarHBondContact O-CA 3.45Å; F112-A116 PolarHBondContact O-N 2.87Å
117	S	93.3	Very high	92.4	Very high	74 Å²	74	55.1 Å²	55.1	52%	0.517	31%	0.306	S	S	.	.			trans	-120.8	140.1	179.9	-173.1	0	0	0	0	110.3	T115	T115-S117 PolarHBondContact O-N 3.31Å; T115-S117 VanDerWaalsContact O-N 3.14Å; T115-S117 PolarHBondContact OG1-N 2.93Å; T115-S117 VanDerWaalsContact OG1-N 3.16Å; T115-S117 PolarHBondContact OG1-O 3.16Å
118	I	93.5	Very high	92.3	Very high	35 Å²	35	52 Å²	52	18%	0.179	29%	0.289	C	S	.	.			trans	-144.9	135.2	175.7	-165.3	170.9	0	0	0	110.9	R108 L109 F112 V120 V128 V140	R108-I118 HydrophobicContact CB-CD1 4.4Å; R108-I118 HydrophobicContact CB-CG1 4.47Å; L109-I118 HydrophobicContact CD2-CD1 4.37Å; F112-I118 HydrophobicContact CB-CB 4.41Å; F112-I118 HydrophobicContact CD2-CB 3.97Å; F112-I118 HydrophobicContact CD2-CG2 4.18Å; I118-V120 HydrophobicContact CG2-CG2 4.29Å; I118-V128 HydrophobicContact CD1-CG1 3.68Å; I118-V140 HydrophobicContact CD1-CG1 3.56Å; I118-V140 HydrophobicContact CD1-CG2 4.13Å; I118-V140 HydrophobicContact CG2-CG2 4.41Å
119	S	89.8	Confident	92.3	Very high	91 Å²	91	48.2 Å²	48.2	64%	0.636	28%	0.275	S	S	*	.			trans	-95.6	122.9	174	-63.1	0	0	0	0	110	R108	R108-S119 PolarHBondContact NH1-O 3.33Å
120	V	90.3	Very high	92.1	Very high	36 Å²	36	51.2 Å²	51.2	22%	0.218	29%	0.29	C	S	.	.			trans	-118.7	137.3	179.6	-175.6	0	0	0	0	108.9	I118 V125 F147	I118-V120 HydrophobicContact CG2-CG2 4.29Å; V120-V125 HydrophobicContact CG1-CB 3.56Å; V120-V125 HydrophobicContact CG1-CG2 3.5Å; V120-V125 VanDerWaalsContact CG1-CG2 3.5Å; V120-F147 HydrophobicContact CG1-CB 4.49Å; V120-F147 HydrophobicContact CG1-CD1 4.31Å; V120-F147 HydrophobicContact CG1-CG 4.25Å
121	G	88.9	Confident	92	Very high	25 Å²	25	51.2 Å²	51.2	26%	0.258	29%	0.291	S	S	.	.			trans	-142.8	166.2	177.3	0	0	0	0	0	111.7	K123 C124 V125	G121-K123 VanDerWaalsContact C-N 3.3Å; G121-K123 PolarHBondContact O-N 3.18Å; G121-C124 PolarHBondContact N-SG 3.44Å; G121-C124 PolarHBondContact O-N 3.49Å; G121-C124 PolarHBondContact O-SG 2.9Å; G121-V125 WeakPolarHBondContact O-CB 3.4Å; G121-V125 PolarHBondContact O-N 3.1Å
122	E	85.6	Confident	92	Very high	141 Å²	141	46.9 Å²	46.9	66%	0.659	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.4	-171.2	-63.2	172.9	-170.2	0	0	113.4	C124 F147	E122-C124 VanDerWaalsContact C-N 3.33Å; E122-C124 PolarHBondContact O-N 3.01Å; E122-F147 HydrophobicContact CG-CE1 4.24Å; E122-F147 HydrophobicContact CG-CZ 3.87Å
123	K	86.8	Confident	91.8	Very high	134 Å²	134	48 Å²	48	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.1	-177.1	-61.5	-177.7	-176.7	175.7	0	113.7	G121	G121-K123 VanDerWaalsContact C-N 3.3Å; G121-K123 PolarHBondContact O-N 3.18Å
124	C	89.6	Confident	91.6	Very high	25 Å²	25	52 Å²	52	17%	0.169	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-11.4	-171.7	67.9	0	0	0	0	114.5	R108 G121 E122 I126 H127 V128	R108-C124 PolarHBondContact NH1-SG 3.08Å; G121-C124 PolarHBondContact N-SG 3.44Å; G121-C124 PolarHBondContact O-N 3.49Å; G121-C124 PolarHBondContact O-SG 2.9Å; E122-C124 VanDerWaalsContact C-N 3.33Å; E122-C124 PolarHBondContact O-N 3.01Å; C124-I126 VanDerWaalsContact C-N 3.32Å; C124-I126 PolarHBondContact O-N 3.35Å; C124-H127 WeakPolarHBondContact O-CB 3.33Å; C124-H127 PolarHBondContact O-N 2.86Å; C124-V128 HydrophobicContact CB-CG2 4.41Å; C124-V128 WeakPolarHBondContact O-CG2 3.42Å; C124-V128 PolarHBondContact O-N 3.17Å
125	V	92.1	Very high	91.6	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-54.7	-44.8	-174.2	60.4	0	0	0	0	112.9	V120 G121 H127 V128 M129 C144 F147 L148	V120-V125 HydrophobicContact CG1-CB 3.56Å; V120-V125 HydrophobicContact CG1-CG2 3.5Å; V120-V125 VanDerWaalsContact CG1-CG2 3.5Å; G121-V125 WeakPolarHBondContact O-CB 3.4Å; G121-V125 PolarHBondContact O-N 3.1Å; V125-H127 VanDerWaalsContact C-N 3.34Å; V125-H127 PolarHBondContact O-N 2.58Å; V125-V128 PolarHBondContact O-N 3.41Å; V125-M129 WeakPolarHBondContact O-CB 3.42Å; V125-M129 PolarHBondContact O-N 3.26Å; V125-C144 HydrophobicContact CG2-CB 3.92Å; V125-F147 HydrophobicContact CB-CD1 4.1Å; V125-F147 HydrophobicContact CB-CE1 4.29Å; V125-F147 HydrophobicContact CG1-CD1 4.27Å; V125-F147 HydrophobicContact CG1-CE1 4.2Å; V125-F147 HydrophobicContact CG2-CD1 3.91Å; V125-L148 HydrophobicContact CG1-CD2 3.74Å; V125-L148 HydrophobicContact CG1-CG 4.38Å; V125-L148 HydrophobicContact CG2-CD1 4.2Å; V125-L148 HydrophobicContact CG2-CD2 4.18Å; V125-L148 HydrophobicContact CG2-CG 3.89Å
126	I	90.3	Very high	91.6	Very high	78 Å²	78	54.9 Å²	54.9	40%	0.4	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-44.2	178.8	-63	178.7	0	0	0	110.8	C124 M129 N130 F163	C124-I126 VanDerWaalsContact C-N 3.32Å; C124-I126 PolarHBondContact O-N 3.35Å; I126-M129 PolarHBondContact O-N 3.24Å; I126-N130 WeakPolarHBondContact O-CB 3.36Å; I126-N130 PolarHBondContact O-N 3.4Å; I126-N130 PolarHBondContact O-ND2 2.89Å; I126-F163 HydrophobicContact CB-CZ 4.39Å; I126-F163 HydrophobicContact CG1-CE1 4.45Å; I126-F163 HydrophobicContact CG2-CD2 4.22Å; I126-F163 HydrophobicContact CG2-CE1 4.31Å; I126-F163 HydrophobicContact CG2-CE2 3.64Å; I126-F163 HydrophobicContact CG2-CZ 3.69Å
127	H	91.6	Very high	91.7	Very high	95 Å²	95	51.2 Å²	51.2	44%	0.44	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-42.7	179.7	-60.7	91.8	0	0	0	111.8	V105 C124 V125 G131	V105-H127 HydrophobicContact CG2-CB 3.86Å; C124-H127 WeakPolarHBondContact O-CB 3.33Å; C124-H127 PolarHBondContact O-N 2.86Å; V125-H127 VanDerWaalsContact C-N 3.34Å; V125-H127 PolarHBondContact O-N 2.58Å; H127-G131 PolarHBondContact O-N 3.41Å; H127-G131 VanDerWaalsContact O-N 3.13Å
128	V	94.4	Very high	91.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-43	176.5	176	0	0	0	0	110.8	V105 I118 C124 V125 G131 A132 V140	V105-V128 HydrophobicContact CG1-CG2 4.44Å; V105-V128 HydrophobicContact CG2-CG2 4.34Å; I118-V128 HydrophobicContact CD1-CG1 3.68Å; C124-V128 HydrophobicContact CB-CG2 4.41Å; C124-V128 WeakPolarHBondContact O-CG2 3.42Å; C124-V128 PolarHBondContact O-N 3.17Å; V125-V128 PolarHBondContact O-N 3.41Å; V128-G131 PolarHBondContact O-N 2.94Å; V128-A132 WeakPolarHBondContact O-CB 3.22Å; V128-A132 PolarHBondContact O-N 3.19Å; V128-V140 HydrophobicContact CG1-CG1 3.93Å
129	M	93.4	Very high	91.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-45.7	178.1	-168.7	170.5	-168.2	0	0	111.9	V125 I126 G131 A132 V133 V141 C144 C145 L148 F163 I167 C169 L172	V125-M129 WeakPolarHBondContact O-CB 3.42Å; V125-M129 PolarHBondContact O-N 3.26Å; I126-M129 PolarHBondContact O-N 3.24Å; M129-G131 VanDerWaalsContact C-N 3.3Å; M129-G131 PolarHBondContact O-N 3.1Å; M129-A132 PolarHBondContact O-N 2.85Å; M129-V133 WeakPolarHBondContact O-CG2 3.47Å; M129-V133 PolarHBondContact O-N 3.49Å; M129-V141 HydrophobicContact CE-CG1 3.9Å; M129-C144 HydrophobicContact CB-CB 3.88Å; M129-C144 HydrophobicContact CG-CB 3.97Å; M129-C144 HydrophobicContact SD-CB 4.04Å; M129-C145 WeakPolarHBondContact CE-SG 3.41Å; M129-L148 HydrophobicContact SD-CD1 3.87Å; M129-F163 HydrophobicContact CG-CE1 4.5Å; M129-F163 HydrophobicContact SD-CE1 3.73Å; M129-F163 HydrophobicContact SD-CZ 4.36Å; M129-I167 HydrophobicContact CE-CD1 3.46Å; M129-I167 VanDerWaalsContact CE-CD1 3.46Å; M129-I167 HydrophobicContact CG-CD1 4Å; M129-I167 HydrophobicContact SD-CD1 3.7Å; M129-C169 HydrophobicContact CE-CB 4.1Å; M129-L172 HydrophobicContact CE-CD2 4.03Å; M129-L172 HydrophobicContact SD-CD2 4.29Å
130	N	91.8	Very high	91.9	Very high	66 Å²	66	50.6 Å²	50.6	35%	0.353	27%	0.266	S	S	.	.	H	α-helix	trans	-58.2	-42.6	174.6	-78	-25.2	0	0	0	112	I126 M134 F163 I167	I126-N130 WeakPolarHBondContact O-CB 3.36Å; I126-N130 PolarHBondContact O-N 3.4Å; I126-N130 PolarHBondContact O-ND2 2.89Å; N130-M134 VanDerWaalsContact O-CB 3.25Å; N130-M134 WeakPolarHBondContact O-CB 3.49Å; N130-M134 PolarHBondContact O-N 3.46Å; N130-F163 WeakPolarHBondContact OD1-CE2 3.32Å; N130-I167 WeakPolarHBondContact OD1-CG2 3.04Å
131	G	93.1	Very high	92.1	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-46.3	174.5	0	0	0	0	0	112.4	H127 V128 M129 V133 M134 Y135	H127-G131 PolarHBondContact O-N 3.41Å; H127-G131 VanDerWaalsContact O-N 3.13Å; V128-G131 PolarHBondContact O-N 2.94Å; M129-G131 VanDerWaalsContact C-N 3.3Å; M129-G131 PolarHBondContact O-N 3.1Å; G131-V133 PolarHBondContact O-N 3.48Å; G131-M134 WeakPolarHBondContact O-CB 3.33Å; G131-M134 PolarHBondContact O-N 2.99Å; G131-Y135 WeakPolarHBondContact O-CD2 3.41Å; G131-Y135 PolarHBondContact O-N 3.41Å
132	A	94.5	Very high	92.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-40.8	179.3	0	0	0	0	0	112.4	L109 V128 M129 Y135 Q136 I137 V140 V141	L109-A132 HydrophobicContact CD2-CB 4.32Å; V128-A132 WeakPolarHBondContact O-CB 3.22Å; V128-A132 PolarHBondContact O-N 3.19Å; M129-A132 PolarHBondContact O-N 2.85Å; A132-Y135 CarbonylContact O-C 3.48Å; A132-Y135 PolarHBondContact O-N 3.08Å; A132-Q136 WeakPolarHBondContact O-CA 3.49Å; A132-Q136 PolarHBondContact O-N 3.42Å; A132-I137 PolarHBondContact O-N 3.44Å; A132-V140 HydrophobicContact CB-CB 3.81Å; A132-V140 HydrophobicContact CB-CG1 3.63Å; A132-V141 HydrophobicContact CB-CG2 3.7Å
133	V	92.5	Very high	92.6	Very high	52 Å²	52	49.6 Å²	49.6	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-46.5	173.8	172.6	0	0	0	0	110.6	M129 G131 Y135 Q136 V141 I167	M129-V133 WeakPolarHBondContact O-CG2 3.47Å; M129-V133 PolarHBondContact O-N 3.49Å; G131-V133 PolarHBondContact O-N 3.48Å; V133-Y135 VanDerWaalsContact C-N 3.26Å; V133-Y135 PolarHBondContact O-N 3.26Å; V133-Q136 PolarHBondContact O-N 2.8Å; V133-Q136 VanDerWaalsContact O-N 3.08Å; V133-V141 HydrophobicContact CG2-CG1 4.22Å; V133-V141 HydrophobicContact CG2-CG2 3.73Å; V133-I167 HydrophobicContact CG2-CD1 4.46Å
134	M	92.2	Very high	93	Very high	93 Å²	93	43.2 Å²	43.2	46%	0.458	23%	0.23	S	C	.	.	H	α-helix	trans	-56.7	-39.9	178.6	179.8	-176.2	-70.1	0	0	112.3	N130 G131	N130-M134 VanDerWaalsContact O-CB 3.25Å; N130-M134 WeakPolarHBondContact O-CB 3.49Å; N130-M134 PolarHBondContact O-N 3.46Å; G131-M134 WeakPolarHBondContact O-CB 3.33Å; G131-M134 PolarHBondContact O-N 2.99Å
135	Y	93.3	Very high	93.2	Very high	14 Å²	14	42.2 Å²	42.2	6%	0.055	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	8.4	178.9	-70.7	-81.6	0	0	0	113.9	S77 V79 F80 I98 I101 M106 L109 G131 A132 V133 I137	S77-Y135 WeakPolarHBondContact CB-O 3.48Å; S77-Y135 PolarHBondContact OG-O 3.37Å; V79-Y135 HydrophobicContact CB-CD1 4.38Å; V79-Y135 HydrophobicContact CG1-CD1 4.14Å; F80-Y135 HydrophobicContact CD1-CD1 4.28Å; F80-Y135 HydrophobicContact CD1-CE1 4.26Å; F80-Y135 HydrophobicContact CD2-CD1 4.32Å; F80-Y135 AromaticContact CE1-CD1 3.73Å; F80-Y135 HydrophobicContact CE1-CD1 3.73Å; F80-Y135 AromaticContact CE1-CE1 3.45Å; F80-Y135 HydrophobicContact CE1-CE1 3.45Å; F80-Y135 VanDerWaalsContact CE1-CE1 3.45Å; F80-Y135 AromaticContact CE2-CD1 3.75Å; F80-Y135 HydrophobicContact CE2-CD1 3.75Å; F80-Y135 HydrophobicContact CE2-CE1 4.23Å; F80-Y135 HydrophobicContact CE2-CG 4.33Å; F80-Y135 AromaticContact CZ-CD1 3.42Å; F80-Y135 HydrophobicContact CZ-CD1 3.42Å; F80-Y135 VanDerWaalsContact CZ-CD1 3.42Å; F80-Y135 AromaticContact CZ-CE1 3.42Å; F80-Y135 HydrophobicContact CZ-CE1 3.42Å; F80-Y135 VanDerWaalsContact CZ-CE1 3.42Å; F80-Y135 HydrophobicContact CZ-CG 4.23Å; I98-Y135 WeakPolarHBondContact CG2-OH 3.47Å; I101-Y135 HydrophobicContact CD1-CD2 4.09Å; I101-Y135 HydrophobicContact CD1-CE2 3.72Å; M106-Y135 HydrophobicContact CE-CD2 4.44Å; M106-Y135 HydrophobicContact CE-CE1 4.27Å; M106-Y135 HydrophobicContact CE-CE2 3.64Å; M106-Y135 WeakPolarHBondContact CE-OH 3.41Å; L109-Y135 HydrophobicContact CD1-CD2 4.22Å; G131-Y135 WeakPolarHBondContact O-CD2 3.41Å; G131-Y135 PolarHBondContact O-N 3.41Å; A132-Y135 CarbonylContact O-C 3.48Å; A132-Y135 PolarHBondContact O-N 3.08Å; V133-Y135 VanDerWaalsContact C-N 3.26Å; V133-Y135 PolarHBondContact O-N 3.26Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-I137 PolarHBondContact O-N 3.28Å
136	Q	93.9	Very high	93.2	Very high	105 Å²	105	45 Å²	45	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	47.9	179.5	-59.6	178.6	11	0	0	113.7	P78 V79 A132 V133 D138	P78-Q136 WeakPolarHBondContact CD-O 3.38Å; P78-Q136 HydrophobicContact CG-CB 4.3Å; V79-Q136 HydrophobicContact CG2-CB 4.1Å; V79-Q136 HydrophobicContact CG2-CG 3.8Å; A132-Q136 WeakPolarHBondContact O-CA 3.49Å; A132-Q136 PolarHBondContact O-N 3.42Å; V133-Q136 PolarHBondContact O-N 2.8Å; V133-Q136 VanDerWaalsContact O-N 3.08Å; Q136-D138 PolarHBondContact O-N 3.42Å
137	I	95.3	Very high	93.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.228	C	C	.	.			trans	-98.5	78.2	175.5	-51.9	178.9	0	0	0	108.5	L109 F112 A132 Y135 S139 V140 V141	L109-I137 HydrophobicContact CB-CD1 4.27Å; L109-I137 HydrophobicContact CD2-CD1 4.23Å; F112-I137 HydrophobicContact CD1-CG2 3.9Å; F112-I137 HydrophobicContact CE1-CG2 3.62Å; A132-I137 PolarHBondContact O-N 3.44Å; Y135-I137 VanDerWaalsContact C-N 3.34Å; Y135-I137 PolarHBondContact O-N 3.28Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 2.82Å; I137-V140 HydrophobicContact CB-CB 4.46Å; I137-V140 HydrophobicContact CB-CG2 4.46Å; I137-V140 HydrophobicContact CG2-CB 4.04Å; I137-V140 HydrophobicContact CG2-CG2 3.61Å; I137-V140 PolarHBondContact O-N 3.33Å; I137-V141 PolarHBondContact O-N 2.88Å; I137-V141 VanDerWaalsContact O-N 3.1Å
138	D	92.6	Very high	93.5	Very high	121 Å²	121	39.3 Å²	39.3	65%	0.647	21%	0.21	S	C	*	.	H	α-helix	trans	-58.3	-32.9	-169.9	-63.9	-40.8	0	0	0	114	Q136 V140 V141 K142	Q136-D138 PolarHBondContact O-N 3.42Å; D138-V140 VanDerWaalsContact C-N 3.31Å; D138-V140 PolarHBondContact O-N 3.13Å; D138-V141 PolarHBondContact O-N 3.17Å; D138-K142 WeakPolarHBondContact O-CB 3.25Å; D138-K142 PolarHBondContact O-N 2.8Å
139	S	93.9	Very high	93.5	Very high	67 Å²	67	41.3 Å²	41.3	47%	0.469	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-38.3	176.2	50.8	0	0	0	0	112.5	F112 I137 A143	F112-S139 WeakPolarHBondContact CE1-OG 3.29Å; F112-S139 WeakPolarHBondContact CZ-OG 3.36Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 2.82Å; S139-A143 PolarHBondContact O-N 3.4Å; S139-A143 VanDerWaalsContact O-N 3.1Å
140	V	94.8	Very high	93.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-76	-39.4	176.8	177.1	0	0	0	0	110.4	L109 F112 I118 V128 A132 I137 D138 K142 A143 C144	L109-V140 HydrophobicContact CD2-CG1 4.16Å; F112-V140 HydrophobicContact CB-CG2 4.49Å; F112-V140 HydrophobicContact CD1-CG2 3.55Å; F112-V140 HydrophobicContact CD2-CG2 3.83Å; F112-V140 HydrophobicContact CE1-CG2 3.66Å; F112-V140 HydrophobicContact CE2-CG2 3.92Å; F112-V140 HydrophobicContact CG-CG2 3.65Å; F112-V140 HydrophobicContact CZ-CG2 3.85Å; I118-V140 HydrophobicContact CD1-CG1 3.56Å; I118-V140 HydrophobicContact CD1-CG2 4.13Å; I118-V140 HydrophobicContact CG2-CG2 4.41Å; V128-V140 HydrophobicContact CG1-CG1 3.93Å; A132-V140 HydrophobicContact CB-CB 3.81Å; A132-V140 HydrophobicContact CB-CG1 3.63Å; I137-V140 HydrophobicContact CB-CB 4.46Å; I137-V140 HydrophobicContact CB-CG2 4.46Å; I137-V140 HydrophobicContact CG2-CB 4.04Å; I137-V140 HydrophobicContact CG2-CG2 3.61Å; I137-V140 PolarHBondContact O-N 3.33Å; D138-V140 VanDerWaalsContact C-N 3.31Å; D138-V140 PolarHBondContact O-N 3.13Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 2.87Å; V140-A143 PolarHBondContact O-N 3.12Å; V140-C144 PolarHBondContact O-N 3.41Å; V140-C144 PolarHBondContact O-SG 3.19Å; V140-C144 VanDerWaalsContact O-SG 3.41Å
141	V	93.6	Very high	93.6	Very high	20 Å²	20	49.1 Å²	49.1	12%	0.121	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-48	173	178.2	0	0	0	0	109.9	M129 A132 V133 I137 D138 A143 C144 C145	M129-V141 HydrophobicContact CE-CG1 3.9Å; A132-V141 HydrophobicContact CB-CG2 3.7Å; V133-V141 HydrophobicContact CG2-CG1 4.22Å; V133-V141 HydrophobicContact CG2-CG2 3.73Å; I137-V141 PolarHBondContact O-N 2.88Å; I137-V141 VanDerWaalsContact O-N 3.1Å; D138-V141 PolarHBondContact O-N 3.17Å; V141-A143 PolarHBondContact O-N 3.45Å; V141-C144 PolarHBondContact O-N 2.72Å; V141-C145 PolarHBondContact O-N 3.28Å; V141-C145 PolarHBondContact O-SG 3.49Å
142	K	92.5	Very high	93.7	Very high	124 Å²	124	50.1 Å²	50.1	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-45.5	177.2	-176.4	169.6	-177.8	168	0	112.8	D138 V140 C144 C145 D146	D138-K142 WeakPolarHBondContact O-CB 3.25Å; D138-K142 PolarHBondContact O-N 2.8Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 2.87Å; K142-C144 VanDerWaalsContact C-N 3.32Å; K142-C144 PolarHBondContact O-N 3.05Å; K142-C145 WeakPolarHBondContact O-CB 3.23Å; K142-C145 PolarHBondContact O-N 3.04Å; K142-C145 VanDerWaalsContact O-N 3.17Å; K142-D146 PolarHBondContact O-N 3.26Å
143	A	93.4	Very high	93.7	Very high	37 Å²	37	53.5 Å²	53.5	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-41.1	176.7	0	0	0	0	0	112.3	S139 V140 V141 D146 F147	S139-A143 PolarHBondContact O-N 3.4Å; S139-A143 VanDerWaalsContact O-N 3.1Å; V140-A143 PolarHBondContact O-N 3.12Å; V141-A143 PolarHBondContact O-N 3.45Å; A143-D146 PolarHBondContact O-N 3.34Å; A143-F147 PolarHBondContact O-N 2.87Å; A143-F147 VanDerWaalsContact O-N 3.08Å
144	C	94.5	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-40.5	173.7	-69.4	0	0	0	0	112.3	V125 M129 V140 V141 K142 F147 L148	V125-C144 HydrophobicContact CG2-CB 3.92Å; M129-C144 HydrophobicContact CB-CB 3.88Å; M129-C144 HydrophobicContact CG-CB 3.97Å; M129-C144 HydrophobicContact SD-CB 4.04Å; V140-C144 PolarHBondContact O-N 3.41Å; V140-C144 PolarHBondContact O-SG 3.19Å; V140-C144 VanDerWaalsContact O-SG 3.41Å; V141-C144 PolarHBondContact O-N 2.72Å; K142-C144 VanDerWaalsContact C-N 3.32Å; K142-C144 PolarHBondContact O-N 3.05Å; C144-F147 PolarHBondContact O-N 3.38Å; C144-L148 WeakPolarHBondContact O-CG 3.46Å; C144-L148 PolarHBondContact O-N 3.3Å
145	C	93.6	Very high	94.1	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-50.4	174	-68.8	0	0	0	0	111.3	M129 V141 K142 F147 L148 V149 C169	M129-C145 WeakPolarHBondContact CE-SG 3.41Å; V141-C145 PolarHBondContact O-N 3.28Å; V141-C145 PolarHBondContact O-SG 3.49Å; K142-C145 WeakPolarHBondContact O-CB 3.23Å; K142-C145 PolarHBondContact O-N 3.04Å; K142-C145 VanDerWaalsContact O-N 3.17Å; C145-F147 VanDerWaalsContact C-N 3.28Å; C145-F147 PolarHBondContact O-N 2.87Å; C145-L148 PolarHBondContact O-N 3.1Å; C145-V149 VanDerWaalsContact O-CG2 3.23Å; C145-V149 WeakPolarHBondContact O-CG2 3.34Å; C145-V149 PolarHBondContact O-N 3.27Å; C145-C169 PolarHBondContact SG-SG 3.19Å
146	D	92.7	Very high	94.1	Very high	62 Å²	62	51.1 Å²	51.1	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-39	-178.4	-71.1	-25.5	0	0	0	111.1	K142 A143 Q150	K142-D146 PolarHBondContact O-N 3.26Å; A143-D146 PolarHBondContact O-N 3.34Å; D146-Q150 WeakPolarHBondContact O-CG 3.4Å; D146-Q150 PolarHBondContact O-N 3.22Å
147	F	94	Very high	94.3	Very high	43 Å²	43	46.1 Å²	46.1	19%	0.189	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-49.5	172.9	-178.5	-91.5	0	0	0	112.2	V120 E122 V125 A143 C144 C145 V149 Q150 Q151	V120-F147 HydrophobicContact CG1-CB 4.49Å; V120-F147 HydrophobicContact CG1-CD1 4.31Å; V120-F147 HydrophobicContact CG1-CG 4.25Å; E122-F147 HydrophobicContact CG-CE1 4.24Å; E122-F147 HydrophobicContact CG-CZ 3.87Å; V125-F147 HydrophobicContact CB-CD1 4.1Å; V125-F147 HydrophobicContact CB-CE1 4.29Å; V125-F147 HydrophobicContact CG1-CD1 4.27Å; V125-F147 HydrophobicContact CG1-CE1 4.2Å; V125-F147 HydrophobicContact CG2-CD1 3.91Å; A143-F147 PolarHBondContact O-N 2.87Å; A143-F147 VanDerWaalsContact O-N 3.08Å; C144-F147 PolarHBondContact O-N 3.38Å; C145-F147 VanDerWaalsContact C-N 3.28Å; C145-F147 PolarHBondContact O-N 2.87Å; F147-V149 VanDerWaalsContact C-N 3.32Å; F147-V149 PolarHBondContact O-N 3.45Å; F147-Q150 PolarHBondContact O-N 3.46Å; F147-Q151 HydrophobicContact CD1-CG 4.36Å; F147-Q151 HydrophobicContact CE1-CG 3.95Å; F147-Q151 HydrophobicContact CZ-CG 4.03Å; F147-Q151 WeakPolarHBondContact O-CG 3.41Å; F147-Q151 PolarHBondContact O-N 2.95Å
148	L	94.4	Very high	94.3	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-36.7	-179.5	-74.5	172.3	0	0	0	112.5	V125 M129 C144 C145 Q150 Q151 L152 I160 F163 L172	V125-L148 HydrophobicContact CG1-CD2 3.74Å; V125-L148 HydrophobicContact CG1-CG 4.38Å; V125-L148 HydrophobicContact CG2-CD1 4.2Å; V125-L148 HydrophobicContact CG2-CD2 4.18Å; V125-L148 HydrophobicContact CG2-CG 3.89Å; M129-L148 HydrophobicContact SD-CD1 3.87Å; C144-L148 WeakPolarHBondContact O-CG 3.46Å; C144-L148 PolarHBondContact O-N 3.3Å; C145-L148 PolarHBondContact O-N 3.1Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.19Å; L148-Q151 CarbonylContact O-C 3.58Å; L148-Q151 PolarHBondContact O-N 3.39Å; L148-Q151 VanDerWaalsContact O-N 3.16Å; L148-L152 PolarHBondContact O-N 3.25Å; L148-I160 HydrophobicContact CD2-CD1 4.36Å; L148-F163 HydrophobicContact CD1-CE1 4.48Å; L148-L172 HydrophobicContact CB-CD1 3.9Å; L148-L172 HydrophobicContact CB-CD2 4.29Å; L148-L172 HydrophobicContact CD1-CD2 3.59Å
149	V	94.3	Very high	94.4	Very high	42 Å²	42	42.4 Å²	42.4	26%	0.255	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-38.9	175.6	169.9	0	0	0	0	111.4	C145 F147 Q151 L152 L172 K175	C145-V149 VanDerWaalsContact O-CG2 3.23Å; C145-V149 WeakPolarHBondContact O-CG2 3.34Å; C145-V149 PolarHBondContact O-N 3.27Å; F147-V149 VanDerWaalsContact C-N 3.32Å; F147-V149 PolarHBondContact O-N 3.45Å; V149-Q151 PolarHBondContact O-N 3.17Å; V149-L152 HydrophobicContact CG1-CD1 4.49Å; V149-L152 PolarHBondContact O-N 3.2Å; V149-L172 HydrophobicContact CG2-CD1 3.74Å; V149-K175 HydrophobicContact CB-CD 4.47Å; V149-K175 HydrophobicContact CG1-CD 4.1Å; V149-K175 HydrophobicContact CG2-CB 4.11Å; V149-K175 HydrophobicContact CG2-CD 3.5Å; V149-K175 VanDerWaalsContact CG2-CD 3.5Å; V149-K175 HydrophobicContact CG2-CG 4.45Å
150	Q	93.1	Very high	94.4	Very high	151 Å²	151	40 Å²	40	71%	0.706	22%	0.218	S	C	*	.	H	α-helix	trans	-70.3	-20.5	176.9	-70.2	174.8	16.7	0	0	113.3	D146 F147 L148	D146-Q150 WeakPolarHBondContact O-CG 3.4Å; D146-Q150 PolarHBondContact O-N 3.22Å; F147-Q150 PolarHBondContact O-N 3.46Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.19Å
151	Q	92.8	Very high	94.5	Very high	79 Å²	79	40.4 Å²	40.4	37%	0.369	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	11.4	-179.2	-61.7	-60.5	-33.2	0	0	113.2	F147 L148 V149 D153 N156	F147-Q151 HydrophobicContact CD1-CG 4.36Å; F147-Q151 HydrophobicContact CE1-CG 3.95Å; F147-Q151 HydrophobicContact CZ-CG 4.03Å; F147-Q151 WeakPolarHBondContact O-CG 3.41Å; F147-Q151 PolarHBondContact O-N 2.95Å; L148-Q151 CarbonylContact O-C 3.58Å; L148-Q151 PolarHBondContact O-N 3.39Å; L148-Q151 VanDerWaalsContact O-N 3.16Å; V149-Q151 PolarHBondContact O-N 3.17Å; Q151-D153 PolarHBondContact O-N 3.22Å; Q151-N156 PolarHBondContact O-ND2 3.47Å
152	L	95	Very high	94.5	Very high	23 Å²	23	42.1 Å²	42.1	12%	0.12	23%	0.233	C	C	.	.			trans	-62.7	123.2	174.6	-78.2	168.6	0	0	0	110.1	L148 V149 A157 I160 A176 Y179	L148-L152 PolarHBondContact O-N 3.25Å; V149-L152 HydrophobicContact CG1-CD1 4.49Å; V149-L152 PolarHBondContact O-N 3.2Å; L152-A157 HydrophobicContact CD2-CB 4.23Å; L152-I160 HydrophobicContact CD2-CB 4.31Å; L152-I160 HydrophobicContact CD2-CD1 3.94Å; L152-I160 HydrophobicContact CD2-CG2 4.12Å; L152-A176 HydrophobicContact CD2-CB 3.95Å; L152-Y179 HydrophobicContact CB-CD1 4.32Å; L152-Y179 HydrophobicContact CB-CD2 3.94Å; L152-Y179 HydrophobicContact CB-CE1 4.5Å; L152-Y179 HydrophobicContact CB-CE2 4.13Å; L152-Y179 HydrophobicContact CB-CG 4.05Å; L152-Y179 HydrophobicContact CD1-CD2 4.38Å; L152-Y179 HydrophobicContact CD1-CG 4.26Å; L152-Y179 PolarHBondContact O-OH 2.54Å
153	D	95.7	Very high	94.5	Very high	71 Å²	71	37.3 Å²	37.3	38%	0.38	21%	0.212	S	C	.	.			trans	-135.7	152.5	-179.5	-178.2	-92.9	0	0	0	108.7	Q151 S155 N156 A157	Q151-D153 PolarHBondContact O-N 3.22Å; D153-S155 PolarHBondContact O-N 3.41Å; D153-S155 VanDerWaalsContact OD1-CB 3.27Å; D153-S155 WeakPolarHBondContact OD1-CB 3.42Å; D153-S155 PolarHBondContact OD1-N 3.21Å; D153-S155 PolarHBondContact OD1-OG 3.16Å; D153-N156 PolarHBondContact N-OD1 3.4Å; D153-N156 PolarHBondContact O-N 2.9Å; D153-N156 VanDerWaalsContact O-N 3.11Å; D153-N156 PolarHBondContact O-OD1 2.95Å; D153-A157 WeakPolarHBondContact O-CB 3.48Å; D153-A157 PolarHBondContact O-N 3.38Å
154	P	96.3	Very high	94.5	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.052	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28	178.6	-25.8	37.6	0	0	0	113.6	Y179 Q186 V187 Q190	P154-Y179 WeakPolarHBondContact CD-OH 3.36Å; P154-Y179 HydrophobicContact CG-CE1 4.46Å; P154-Q186 HydrophobicContact CB-CB 3.9Å; P154-Q186 HydrophobicContact CG-CB 3.91Å; P154-V187 HydrophobicContact CB-CG2 4Å; P154-Q190 HydrophobicContact CB-CG 4.2Å; P154-Q190 WeakPolarHBondContact O-CG 3.47Å
155	S	96	Very high	94.5	Very high	56 Å²	56	41.5 Å²	41.5	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-18.5	-179	65.3	0	0	0	0	115.3	D153 E192	D153-S155 PolarHBondContact O-N 3.41Å; D153-S155 VanDerWaalsContact OD1-CB 3.27Å; D153-S155 WeakPolarHBondContact OD1-CB 3.42Å; D153-S155 PolarHBondContact OD1-N 3.21Å; D153-S155 PolarHBondContact OD1-OG 3.16Å; S155-E192 VanDerWaalsContact O-CG 3.29Å; S155-E192 WeakPolarHBondContact O-CG 3.31Å
156	N	94.8	Very high	94.4	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-7.5	-173.9	71.2	17	0	0	0	114.4	Q151 D153 I158 G159 I160 E192	Q151-N156 PolarHBondContact O-ND2 3.47Å; D153-N156 PolarHBondContact N-OD1 3.4Å; D153-N156 PolarHBondContact O-N 2.9Å; D153-N156 VanDerWaalsContact O-N 3.11Å; D153-N156 PolarHBondContact O-OD1 2.95Å; N156-I158 VanDerWaalsContact C-N 3.32Å; N156-I158 PolarHBondContact O-N 3.18Å; N156-G159 PolarHBondContact O-N 2.96Å; N156-I160 HydrophobicContact CB-CD1 4.37Å; N156-I160 WeakPolarHBondContact O-CG1 3.46Å; N156-I160 PolarHBondContact O-N 3.24Å; N156-I160 WeakPolarHBondContact OD1-CD1 3.31Å; N156-E192 VanDerWaalsContact CA-OE2 3.3Å; N156-E192 WeakPolarHBondContact CA-OE2 3.37Å
157	A	96.6	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-33.8	-169.8	0	0	0	0	0	113	L152 D153 A161 Y179 I180	L152-A157 HydrophobicContact CD2-CB 4.23Å; D153-A157 WeakPolarHBondContact O-CB 3.48Å; D153-A157 PolarHBondContact O-N 3.38Å; A157-A161 WeakPolarHBondContact O-CB 3.17Å; A157-A161 PolarHBondContact O-N 2.95Å; A157-Y179 HydrophobicContact CB-CD1 3.73Å; A157-Y179 HydrophobicContact CB-CE1 4.18Å; A157-I180 HydrophobicContact CB-CD1 4.41Å; A157-I180 HydrophobicContact CB-CG1 3.72Å
158	I	96	Very high	94	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.097	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-44.6	178.1	-68.7	170.1	0	0	0	109.5	N156 A161 S162 I180 V187 E192 F193 L196	N156-I158 VanDerWaalsContact C-N 3.32Å; N156-I158 PolarHBondContact O-N 3.18Å; I158-A161 PolarHBondContact O-N 3.33Å; I158-S162 WeakPolarHBondContact O-CB 3.46Å; I158-S162 PolarHBondContact O-N 3.02Å; I158-I180 HydrophobicContact CG1-CD1 3.94Å; I158-I180 HydrophobicContact CG1-CG1 4.37Å; I158-V187 HydrophobicContact CD1-CG1 3.56Å; I158-V187 HydrophobicContact CG1-CG1 3.94Å; I158-E192 HydrophobicContact CB-CB 3.99Å; I158-E192 WeakPolarHBondContact CB-OE2 3.29Å; I158-E192 HydrophobicContact CD1-CB 4.26Å; I158-E192 HydrophobicContact CG2-CB 4.37Å; I158-E192 PolarHBondContact N-OE2 2.9Å; I158-E192 VanDerWaalsContact N-OE2 3.11Å; I158-F193 HydrophobicContact CD1-CB 3.98Å; I158-F193 HydrophobicContact CD1-CD2 4.28Å; I158-L196 HydrophobicContact CD1-CD1 4.11Å; I158-L196 HydrophobicContact CD1-CD2 4.44Å; I158-L196 HydrophobicContact CD1-CG 4.33Å; I158-L196 HydrophobicContact CG2-CD2 3.56Å; I158-L196 HydrophobicContact CG2-CG 4.4Å
159	G	94.3	Very high	93.9	Very high	29 Å²	29	48.6 Å²	48.6	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-47.4	175.7	0	0	0	0	0	111.8	N156 A161 S162 F163 E192	N156-G159 PolarHBondContact O-N 2.96Å; G159-A161 PolarHBondContact O-N 3.42Å; G159-S162 PolarHBondContact O-N 3.39Å; G159-F163 VanDerWaalsContact O-CB 3.31Å; G159-F163 WeakPolarHBondContact O-CB 3.26Å; G159-F163 PolarHBondContact O-N 3.08Å; G159-E192 PolarHBondContact N-OE1 3.27Å; G159-E192 PolarHBondContact N-OE2 3.43Å
160	I	94.9	Very high	93.8	Very high	17 Å²	17	52 Å²	52	9%	0.087	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.6	-68.1	171	0	0	0	111.1	L148 L152 N156 F163 A164 L172 A176	L148-I160 HydrophobicContact CD2-CD1 4.36Å; L152-I160 HydrophobicContact CD2-CB 4.31Å; L152-I160 HydrophobicContact CD2-CD1 3.94Å; L152-I160 HydrophobicContact CD2-CG2 4.12Å; N156-I160 HydrophobicContact CB-CD1 4.37Å; N156-I160 WeakPolarHBondContact O-CG1 3.46Å; N156-I160 PolarHBondContact O-N 3.24Å; N156-I160 WeakPolarHBondContact OD1-CD1 3.31Å; I160-F163 PolarHBondContact O-N 3.16Å; I160-A164 VanDerWaalsContact O-CB 3.29Å; I160-A164 WeakPolarHBondContact O-CB 3.5Å; I160-A164 PolarHBondContact O-N 2.86Å; I160-L172 HydrophobicContact CG2-CD1 3.95Å; I160-L172 HydrophobicContact CG2-CD2 4.2Å; I160-L172 HydrophobicContact CG2-CG 4.09Å; I160-A176 HydrophobicContact CG2-CB 4.08Å
161	A	95.7	Very high	93.7	Very high	7 Å²	7	48.9 Å²	48.9	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-44.5	178.3	0	0	0	0	0	112.2	A157 I158 G159 A164 E165 H173 A176 R177 I180	A157-A161 WeakPolarHBondContact O-CB 3.17Å; A157-A161 PolarHBondContact O-N 2.95Å; I158-A161 PolarHBondContact O-N 3.33Å; G159-A161 PolarHBondContact O-N 3.42Å; A161-A164 PolarHBondContact O-N 3.23Å; A161-E165 PolarHBondContact O-N 2.88Å; A161-E165 VanDerWaalsContact O-N 3.09Å; A161-H173 PolarHBondContact O-ND1 2.58Å; A161-A176 HydrophobicContact CB-CB 3.78Å; A161-R177 HydrophobicContact CB-CG 4.39Å; A161-I180 HydrophobicContact CB-CD1 4.01Å
162	S	93.9	Very high	93.8	Very high	56 Å²	56	45.1 Å²	45.1	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-45.1	177	-176.7	0	0	0	0	111.6	I158 G159 A164 E165 Q166	I158-S162 WeakPolarHBondContact O-CB 3.46Å; I158-S162 PolarHBondContact O-N 3.02Å; G159-S162 PolarHBondContact O-N 3.39Å; S162-A164 PolarHBondContact O-N 3.1Å; S162-E165 WeakPolarHBondContact O-CB 3.37Å; S162-E165 PolarHBondContact O-N 3.36Å; S162-Q166 PolarHBondContact O-N 3.15Å
163	F	92.6	Very high	93.8	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176	171.9	-111.5	0	0	0	111.9	I126 M129 N130 L148 G159 I160 E165 Q166 I167	I126-F163 HydrophobicContact CB-CZ 4.39Å; I126-F163 HydrophobicContact CG1-CE1 4.45Å; I126-F163 HydrophobicContact CG2-CD2 4.22Å; I126-F163 HydrophobicContact CG2-CE1 4.31Å; I126-F163 HydrophobicContact CG2-CE2 3.64Å; I126-F163 HydrophobicContact CG2-CZ 3.69Å; M129-F163 HydrophobicContact CG-CE1 4.5Å; M129-F163 HydrophobicContact SD-CE1 3.73Å; M129-F163 HydrophobicContact SD-CZ 4.36Å; N130-F163 WeakPolarHBondContact OD1-CE2 3.32Å; L148-F163 HydrophobicContact CD1-CE1 4.48Å; G159-F163 VanDerWaalsContact O-CB 3.31Å; G159-F163 WeakPolarHBondContact O-CB 3.26Å; G159-F163 PolarHBondContact O-N 3.08Å; I160-F163 PolarHBondContact O-N 3.16Å; F163-E165 VanDerWaalsContact C-N 3.29Å; F163-E165 PolarHBondContact O-N 3.48Å; F163-Q166 WeakPolarHBondContact O-CB 3.34Å; F163-Q166 PolarHBondContact O-N 3.46Å; F163-Q166 VanDerWaalsContact O-N 3.15Å; F163-I167 HydrophobicContact CD1-CD1 4.4Å; F163-I167 HydrophobicContact CD2-CG2 4.24Å; F163-I167 HydrophobicContact CE1-CD1 3.77Å; F163-I167 HydrophobicContact CE2-CG2 3.62Å; F163-I167 HydrophobicContact CZ-CD1 3.85Å; F163-I167 HydrophobicContact CZ-CG2 3.87Å; F163-I167 WeakPolarHBondContact O-CG1 3.27Å; F163-I167 PolarHBondContact O-N 3.44Å; F163-I167 VanDerWaalsContact O-N 3.15Å
164	A	94.4	Very high	93.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-37	178.7	0	0	0	0	0	112.6	I160 A161 S162 I167 G168 C169 L172 H173	I160-A164 VanDerWaalsContact O-CB 3.29Å; I160-A164 WeakPolarHBondContact O-CB 3.5Å; I160-A164 PolarHBondContact O-N 2.86Å; A161-A164 PolarHBondContact O-N 3.23Å; S162-A164 PolarHBondContact O-N 3.1Å; A164-I167 WeakPolarHBondContact O-CG1 3.3Å; A164-G168 PolarHBondContact O-N 2.91Å; A164-C169 PolarHBondContact O-N 3.47Å; A164-L172 HydrophobicContact CB-CB 3.94Å; A164-L172 HydrophobicContact CB-CD2 3.86Å; A164-L172 HydrophobicContact CB-CG 3.78Å; A164-H173 HydrophobicContact CB-CB 3.75Å
165	E	93.4	Very high	93.6	Very high	125 Å²	125	50 Å²	50	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-63.9	-45.2	173.5	-169.7	170.1	-167.3	0	0	111.5	A161 S162 F163 I167 G168 H173	A161-E165 PolarHBondContact O-N 2.88Å; A161-E165 VanDerWaalsContact O-N 3.09Å; S162-E165 WeakPolarHBondContact O-CB 3.37Å; S162-E165 PolarHBondContact O-N 3.36Å; F163-E165 VanDerWaalsContact C-N 3.29Å; F163-E165 PolarHBondContact O-N 3.48Å; E165-I167 VanDerWaalsContact C-N 3.32Å; E165-I167 PolarHBondContact O-N 3.15Å; E165-G168 PolarHBondContact O-N 3.44Å; E165-G168 VanDerWaalsContact O-N 3.1Å; E165-H173 IonicContact OE2-CE1 2.72Å
166	Q	91.5	Very high	93.6	Very high	163 Å²	163	47.3 Å²	47.3	76%	0.762	26%	0.262	S	S	*	.	H	α-helix	trans	-61.5	-37.6	-178.7	-173.8	179.6	1.2	0	0	113	S162 F163 G168	S162-Q166 PolarHBondContact O-N 3.15Å; F163-Q166 WeakPolarHBondContact O-CB 3.34Å; F163-Q166 PolarHBondContact O-N 3.46Å; F163-Q166 VanDerWaalsContact O-N 3.15Å; Q166-G168 VanDerWaalsContact C-N 3.34Å
167	I	89.4	Confident	93.6	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.159	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.9	178.8	66.9	173.4	0	0	0	113.2	M129 N130 V133 F163 A164 E165 C169	M129-I167 HydrophobicContact CE-CD1 3.46Å; M129-I167 VanDerWaalsContact CE-CD1 3.46Å; M129-I167 HydrophobicContact CG-CD1 4Å; M129-I167 HydrophobicContact SD-CD1 3.7Å; N130-I167 WeakPolarHBondContact OD1-CG2 3.04Å; V133-I167 HydrophobicContact CG2-CD1 4.46Å; F163-I167 HydrophobicContact CD1-CD1 4.4Å; F163-I167 HydrophobicContact CD2-CG2 4.24Å; F163-I167 HydrophobicContact CE1-CD1 3.77Å; F163-I167 HydrophobicContact CE2-CG2 3.62Å; F163-I167 HydrophobicContact CZ-CD1 3.85Å; F163-I167 HydrophobicContact CZ-CG2 3.87Å; F163-I167 WeakPolarHBondContact O-CG1 3.27Å; F163-I167 PolarHBondContact O-N 3.44Å; F163-I167 VanDerWaalsContact O-N 3.15Å; A164-I167 WeakPolarHBondContact O-CG1 3.3Å; E165-I167 VanDerWaalsContact C-N 3.32Å; E165-I167 PolarHBondContact O-N 3.15Å; I167-C169 VanDerWaalsContact C-N 3.31Å; I167-C169 HydrophobicContact CD1-CB 3.76Å; I167-C169 HydrophobicContact CG1-CB 3.74Å; I167-C169 PolarHBondContact O-N 3.44Å
168	G	89.8	Confident	93.5	Very high	55 Å²	55	51.5 Å²	51.5	57%	0.567	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	19.7	-177.6	0	0	0	0	0	114.7	A164 E165 Q166 T170	A164-G168 PolarHBondContact O-N 2.91Å; E165-G168 PolarHBondContact O-N 3.44Å; E165-G168 VanDerWaalsContact O-N 3.1Å; Q166-G168 VanDerWaalsContact C-N 3.34Å; G168-T170 PolarHBondContact O-N 3.15Å; G168-T170 VanDerWaalsContact O-N 3.16Å
169	C	90.9	Very high	93.4	Very high	19 Å²	19	53.4 Å²	53.4	13%	0.128	28%	0.284	C	S	.	.			trans	-83.7	88.8	177.4	-171.6	0	0	0	0	110.7	M129 C145 A164 I167 E171 L172 H173	M129-C169 HydrophobicContact CE-CB 4.1Å; C145-C169 PolarHBondContact SG-SG 3.19Å; A164-C169 PolarHBondContact O-N 3.47Å; I167-C169 VanDerWaalsContact C-N 3.31Å; I167-C169 HydrophobicContact CD1-CB 3.76Å; I167-C169 HydrophobicContact CG1-CB 3.74Å; I167-C169 PolarHBondContact O-N 3.44Å; C169-E171 PolarHBondContact O-N 3.37Å; C169-L172 HydrophobicContact CB-CB 4.41Å; C169-H173 WeakPolarHBondContact O-CB 3.46Å; C169-H173 PolarHBondContact O-N 3.28Å; C169-H173 VanDerWaalsContact O-N 3.08Å
170	T	92.4	Very high	93.5	Very high	113 Å²	113	52.5 Å²	52.5	69%	0.693	27%	0.272	S	S	*	.	H	α-helix	trans	-64.5	-37.6	-174.3	54.4	0	0	0	0	113.5	G168 H173 Q174	G168-T170 PolarHBondContact O-N 3.15Å; G168-T170 VanDerWaalsContact O-N 3.16Å; T170-H173 PolarHBondContact O-N 2.93Å; T170-Q174 WeakPolarHBondContact O-CB 3.45Å; T170-Q174 PolarHBondContact O-N 3.04Å
171	E	91.9	Very high	93.5	Very high	87 Å²	87	52.4 Å²	52.4	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-49.6	-179.7	-171.7	-173	161.1	0	0	111.9	C169 Q174 K175	C169-E171 PolarHBondContact O-N 3.37Å; E171-Q174 PolarHBondContact O-N 3.45Å; E171-K175 HydrophobicContact CG-CD 4.43Å; E171-K175 WeakPolarHBondContact O-CG 3.32Å; E171-K175 PolarHBondContact O-N 3.43Å; E171-K175 IonicContact OE1-NZ 2.98Å; E171-K175 PolarHBondContact OE1-NZ 3.47Å
172	L	94.4	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-42.4	178.3	178.9	62.7	0	0	0	111	M129 L148 V149 I160 A164 C169 Q174 K175 A176	M129-L172 HydrophobicContact CE-CD2 4.03Å; M129-L172 HydrophobicContact SD-CD2 4.29Å; L148-L172 HydrophobicContact CB-CD1 3.9Å; L148-L172 HydrophobicContact CB-CD2 4.29Å; L148-L172 HydrophobicContact CD1-CD2 3.59Å; V149-L172 HydrophobicContact CG2-CD1 3.74Å; I160-L172 HydrophobicContact CG2-CD1 3.95Å; I160-L172 HydrophobicContact CG2-CD2 4.2Å; I160-L172 HydrophobicContact CG2-CG 4.09Å; A164-L172 HydrophobicContact CB-CB 3.94Å; A164-L172 HydrophobicContact CB-CD2 3.86Å; A164-L172 HydrophobicContact CB-CG 3.78Å; C169-L172 HydrophobicContact CB-CB 4.41Å; L172-Q174 VanDerWaalsContact C-N 3.32Å; L172-Q174 PolarHBondContact O-N 2.88Å; L172-K175 PolarHBondContact O-N 3.04Å; L172-A176 VanDerWaalsContact O-CB 3.31Å; L172-A176 WeakPolarHBondContact O-CB 3.33Å; L172-A176 PolarHBondContact O-N 3.34Å
173	H	95.4	Very high	93.1	Very high	29 Å²	29	53.3 Å²	53.3	13%	0.134	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-43.7	177.3	-179.4	76.1	0	0	0	111.6	A161 A164 E165 C169 T170 R177	A161-H173 PolarHBondContact O-ND1 2.58Å; A164-H173 HydrophobicContact CB-CB 3.75Å; E165-H173 IonicContact OE2-CE1 2.72Å; C169-H173 WeakPolarHBondContact O-CB 3.46Å; C169-H173 PolarHBondContact O-N 3.28Å; C169-H173 VanDerWaalsContact O-N 3.08Å; T170-H173 PolarHBondContact O-N 2.93Å; H173-R177 WeakPolarHBondContact NE2-CD 3.32Å; H173-R177 PolarHBondContact NE2-NH1 3.36Å; H173-R177 WeakPolarHBondContact O-CB 3.12Å; H173-R177 WeakPolarHBondContact O-CG 3.37Å; H173-R177 PolarHBondContact O-N 2.9Å
174	Q	94	Very high	93.2	Very high	108 Å²	108	52.2 Å²	52.2	51%	0.505	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-48.9	177.1	-177.8	173.1	-1.3	0	0	111.7	T170 E171 L172 A176 R177 E178	T170-Q174 WeakPolarHBondContact O-CB 3.45Å; T170-Q174 PolarHBondContact O-N 3.04Å; E171-Q174 PolarHBondContact O-N 3.45Å; L172-Q174 VanDerWaalsContact C-N 3.32Å; L172-Q174 PolarHBondContact O-N 2.88Å; Q174-A176 PolarHBondContact O-N 3.11Å; Q174-R177 PolarHBondContact O-N 2.99Å; Q174-E178 HydrophobicContact CG-CG 4.48Å; Q174-E178 PolarHBondContact NE2-OE1 3.18Å; Q174-E178 VanDerWaalsContact NE2-OE1 3.14Å; Q174-E178 WeakPolarHBondContact O-CG 3.37Å; Q174-E178 PolarHBondContact O-N 3.13Å
175	K	93.9	Very high	93.1	Very high	66 Å²	66	54.4 Å²	54.4	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-43.1	179.2	-75	178	172.5	167.9	0	112	V149 E171 L172 E178 Y179	V149-K175 HydrophobicContact CB-CD 4.47Å; V149-K175 HydrophobicContact CG1-CD 4.1Å; V149-K175 HydrophobicContact CG2-CB 4.11Å; V149-K175 HydrophobicContact CG2-CD 3.5Å; V149-K175 VanDerWaalsContact CG2-CD 3.5Å; V149-K175 HydrophobicContact CG2-CG 4.45Å; E171-K175 HydrophobicContact CG-CD 4.43Å; E171-K175 WeakPolarHBondContact O-CG 3.32Å; E171-K175 PolarHBondContact O-N 3.43Å; E171-K175 IonicContact OE1-NZ 2.98Å; E171-K175 PolarHBondContact OE1-NZ 3.47Å; L172-K175 PolarHBondContact O-N 3.04Å; K175-E178 PolarHBondContact O-N 3.26Å; K175-Y179 PolarHBondContact O-N 3.38Å
176	A	96.3	Very high	93.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-41.6	176.9	0	0	0	0	0	112	L152 I160 A161 L172 Q174 Y179 I180	L152-A176 HydrophobicContact CD2-CB 3.95Å; I160-A176 HydrophobicContact CG2-CB 4.08Å; A161-A176 HydrophobicContact CB-CB 3.78Å; L172-A176 VanDerWaalsContact O-CB 3.31Å; L172-A176 WeakPolarHBondContact O-CB 3.33Å; L172-A176 PolarHBondContact O-N 3.34Å; Q174-A176 PolarHBondContact O-N 3.11Å; A176-Y179 WeakPolarHBondContact O-CB 3.39Å; A176-Y179 PolarHBondContact O-N 3.22Å; A176-I180 WeakPolarHBondContact O-CG1 3.49Å; A176-I180 PolarHBondContact O-N 2.71Å
177	R	94.7	Very high	93.4	Very high	74 Å²	74	45.8 Å²	45.8	28%	0.279	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-43.4	175.1	-79.2	178.2	63	173.3	0.6	113	A161 H173 Q174 Y179 I180 Y181	A161-R177 HydrophobicContact CB-CG 4.39Å; H173-R177 WeakPolarHBondContact NE2-CD 3.32Å; H173-R177 PolarHBondContact NE2-NH1 3.36Å; H173-R177 WeakPolarHBondContact O-CB 3.12Å; H173-R177 WeakPolarHBondContact O-CG 3.37Å; H173-R177 PolarHBondContact O-N 2.9Å; Q174-R177 PolarHBondContact O-N 2.99Å; R177-Y179 VanDerWaalsContact C-N 3.26Å; R177-Y179 PolarHBondContact O-N 2.75Å; R177-I180 WeakPolarHBondContact O-CB 3.2Å; R177-I180 PolarHBondContact O-N 2.79Å; R177-Y181 HydrophobicContact CB-CE2 4.28Å; R177-Y181 VanDerWaalsContact CZ-OH 3.27Å; R177-Y181 PolarHBondContact NE-OH 3.35Å; R177-Y181 PolarHBondContact NH2-OH 2.81Å; R177-Y181 WeakPolarHBondContact O-CD1 3.42Å; R177-Y181 WeakPolarHBondContact O-CD2 3.45Å; R177-Y181 PolarHBondContact O-N 3.44Å
178	E	93.4	Very high	93.7	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-41.8	175.5	-73.2	176.4	173.1	0	0	110.5	Q174 K175 I180 Y181 M182 K293	Q174-E178 HydrophobicContact CG-CG 4.48Å; Q174-E178 PolarHBondContact NE2-OE1 3.18Å; Q174-E178 VanDerWaalsContact NE2-OE1 3.14Å; Q174-E178 WeakPolarHBondContact O-CG 3.37Å; Q174-E178 PolarHBondContact O-N 3.13Å; K175-E178 PolarHBondContact O-N 3.26Å; E178-I180 PolarHBondContact O-N 2.87Å; E178-Y181 PolarHBondContact O-N 3.4Å; E178-M182 VanDerWaalsContact O-CG 3.26Å; E178-M182 WeakPolarHBondContact O-CG 3.47Å; E178-M182 PolarHBondContact O-N 3.27Å; E178-K293 IonicContact OE1-NZ 2.82Å; E178-K293 PolarHBondContact OE1-NZ 2.78Å
179	Y	94.7	Very high	94	Very high	59 Å²	59	46.7 Å²	46.7	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-45.3	173.4	-173.9	-85.8	0	0	0	112.9	L152 P154 A157 K175 A176 R177 Y181 M182 N183	L152-Y179 HydrophobicContact CB-CD1 4.32Å; L152-Y179 HydrophobicContact CB-CD2 3.94Å; L152-Y179 HydrophobicContact CB-CE1 4.5Å; L152-Y179 HydrophobicContact CB-CE2 4.13Å; L152-Y179 HydrophobicContact CB-CG 4.05Å; L152-Y179 HydrophobicContact CD1-CD2 4.38Å; L152-Y179 HydrophobicContact CD1-CG 4.26Å; L152-Y179 PolarHBondContact O-OH 2.54Å; P154-Y179 WeakPolarHBondContact CD-OH 3.36Å; P154-Y179 HydrophobicContact CG-CE1 4.46Å; A157-Y179 HydrophobicContact CB-CD1 3.73Å; A157-Y179 HydrophobicContact CB-CE1 4.18Å; K175-Y179 PolarHBondContact O-N 3.38Å; A176-Y179 WeakPolarHBondContact O-CB 3.39Å; A176-Y179 PolarHBondContact O-N 3.22Å; R177-Y179 VanDerWaalsContact C-N 3.26Å; R177-Y179 PolarHBondContact O-N 2.75Å; Y179-Y181 VanDerWaalsContact C-N 3.31Å; Y179-Y181 PolarHBondContact O-N 3.14Å; Y179-M182 PolarHBondContact O-N 3.44Å; Y179-N183 HydrophobicContact CE1-CB 4.32Å; Y179-N183 PolarHBondContact O-N 3.36Å; Y179-N183 PolarHBondContact O-ND2 3.44Å
180	I	95.5	Very high	94.3	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-44.8	176.2	-67	163.5	0	0	0	110.5	A157 I158 A161 A176 R177 E178 N183 F184 V187 L204	A157-I180 HydrophobicContact CB-CD1 4.41Å; A157-I180 HydrophobicContact CB-CG1 3.72Å; I158-I180 HydrophobicContact CG1-CD1 3.94Å; I158-I180 HydrophobicContact CG1-CG1 4.37Å; A161-I180 HydrophobicContact CB-CD1 4.01Å; A176-I180 WeakPolarHBondContact O-CG1 3.49Å; A176-I180 PolarHBondContact O-N 2.71Å; R177-I180 WeakPolarHBondContact O-CB 3.2Å; R177-I180 PolarHBondContact O-N 2.79Å; E178-I180 PolarHBondContact O-N 2.87Å; I180-N183 CarbonylContact O-C 3.53Å; I180-N183 PolarHBondContact O-N 3.02Å; I180-F184 VanDerWaalsContact O-CA 3.28Å; I180-F184 WeakPolarHBondContact O-CA 3.44Å; I180-F184 PolarHBondContact O-N 2.92Å; I180-V187 HydrophobicContact CG2-CG1 4.32Å; I180-L204 HydrophobicContact CG2-CD1 3.79Å; I180-L204 HydrophobicContact CG2-CD2 4.37Å
181	Y	94.5	Very high	94.5	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-39.9	-178.9	-58.1	-19.5	0	0	0	112	R177 E178 Y179 N183 L204 R207 E209 L210 N211	R177-Y181 HydrophobicContact CB-CE2 4.28Å; R177-Y181 VanDerWaalsContact CZ-OH 3.27Å; R177-Y181 PolarHBondContact NE-OH 3.35Å; R177-Y181 PolarHBondContact NH2-OH 2.81Å; R177-Y181 WeakPolarHBondContact O-CD1 3.42Å; R177-Y181 WeakPolarHBondContact O-CD2 3.45Å; R177-Y181 PolarHBondContact O-N 3.44Å; E178-Y181 PolarHBondContact O-N 3.4Å; Y179-Y181 VanDerWaalsContact C-N 3.31Å; Y179-Y181 PolarHBondContact O-N 3.14Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-N183 PolarHBondContact O-N 2.99Å; Y181-L204 HydrophobicContact CD1-CD1 3.86Å; Y181-L204 HydrophobicContact CE1-CD1 3.56Å; Y181-R207 HydrophobicContact CE1-CG 4.16Å; Y181-E209 HydrophobicContact CD2-CB 4.04Å; Y181-L210 HydrophobicContact CD1-CD2 3.62Å; Y181-L210 HydrophobicContact CE1-CD2 4.38Å; Y181-L210 HydrophobicContact CG-CD2 4.2Å; Y181-N211 WeakPolarHBondContact O-CB 3.23Å; Y181-N211 PolarHBondContact O-N 2.58Å
182	M	90.7	Very high	94.6	Very high	41 Å²	41	48 Å²	48	20%	0.202	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-27.7	179.7	-68.1	-54	110.2	0	0	113.4	E178 Y179 N211 P292 K293 V294	E178-M182 VanDerWaalsContact O-CG 3.26Å; E178-M182 WeakPolarHBondContact O-CG 3.47Å; E178-M182 PolarHBondContact O-N 3.27Å; Y179-M182 PolarHBondContact O-N 3.44Å; M182-N211 HydrophobicContact CE-CB 4.43Å; M182-N211 PolarHBondContact O-ND2 2.92Å; M182-N211 VanDerWaalsContact O-ND2 3.08Å; M182-N211 HydrophobicContact SD-CB 4.29Å; M182-P292 HydrophobicContact CE-CB 4.47Å; M182-K293 HydrophobicContact CE-CB 3.9Å; M182-V294 HydrophobicContact SD-CG1 3.48Å; M182-V294 WeakPolarHBondContact SD-CG1 3.44Å
183	N	91.9	Very high	94.8	Very high	41 Å²	41	48 Å²	48	22%	0.219	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	25.5	-174.3	-59.9	-77.3	0	0	0	112.9	Y179 I180 Y181 S185 Q186 V187	Y179-N183 HydrophobicContact CE1-CB 4.32Å; Y179-N183 PolarHBondContact O-N 3.36Å; Y179-N183 PolarHBondContact O-ND2 3.44Å; I180-N183 CarbonylContact O-C 3.53Å; I180-N183 PolarHBondContact O-N 3.02Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-N183 PolarHBondContact O-N 2.99Å; N183-S185 VanDerWaalsContact C-N 3.28Å; N183-S185 PolarHBondContact O-N 2.98Å; N183-S185 VanDerWaalsContact O-N 3.15Å; N183-Q186 PolarHBondContact O-N 2.92Å; N183-V187 HydrophobicContact CB-CG2 4.42Å; N183-V187 WeakPolarHBondContact O-CG2 3.22Å; N183-V187 PolarHBondContact O-N 3.26Å
184	F	94.8	Very high	94.8	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-51.3	-45	-171.1	178	-93.4	0	0	0	112.9	I180 Q186 V187 A188 F193 L204 I205 L210 V212 V218 A221	I180-F184 VanDerWaalsContact O-CA 3.28Å; I180-F184 WeakPolarHBondContact O-CA 3.44Å; I180-F184 PolarHBondContact O-N 2.92Å; F184-Q186 PolarHBondContact O-N 3Å; F184-V187 PolarHBondContact O-N 3.42Å; F184-A188 HydrophobicContact CE1-CB 4.23Å; F184-A188 HydrophobicContact CZ-CB 4.35Å; F184-A188 VanDerWaalsContact O-CB 3.26Å; F184-A188 WeakPolarHBondContact O-CB 3.28Å; F184-A188 PolarHBondContact O-N 2.88Å; F184-F193 HydrophobicContact CE2-CE2 4.06Å; F184-F193 HydrophobicContact CZ-CE2 4.28Å; F184-F193 HydrophobicContact CZ-CZ 4.47Å; F184-L204 HydrophobicContact CD2-CD1 4.47Å; F184-L204 HydrophobicContact CD2-CD2 4.37Å; F184-L204 HydrophobicContact CD2-CG 4.37Å; F184-L204 HydrophobicContact CE2-CD2 3.95Å; F184-L204 HydrophobicContact CE2-CG 4.01Å; F184-I205 HydrophobicContact CE2-CG2 4.4Å; F184-I205 HydrophobicContact CZ-CG2 4.2Å; F184-L210 HydrophobicContact CB-CD2 4.25Å; F184-L210 HydrophobicContact CD2-CD1 4.14Å; F184-L210 HydrophobicContact CD2-CD2 3.82Å; F184-L210 HydrophobicContact CE2-CD1 4.2Å; F184-L210 HydrophobicContact CG-CD1 4.42Å; F184-L210 HydrophobicContact CG-CD2 4.18Å; F184-V212 HydrophobicContact CB-CG1 4.25Å; F184-V212 HydrophobicContact CD1-CG1 3.55Å; F184-V212 HydrophobicContact CE1-CG1 4.31Å; F184-V212 HydrophobicContact CG-CG1 4.21Å; F184-V218 HydrophobicContact CE1-CB 4.45Å; F184-V218 HydrophobicContact CE1-CG2 4.08Å; F184-V218 HydrophobicContact CZ-CG1 4.43Å; F184-A221 HydrophobicContact CE1-CB 4.1Å; F184-A221 HydrophobicContact CZ-CB 4.05Å
185	S	92.4	Very high	94.8	Very high	45 Å²	45	48 Å²	48	32%	0.315	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-29.9	-178	-39.7	0	0	0	0	113	N183 E217	N183-S185 VanDerWaalsContact C-N 3.28Å; N183-S185 PolarHBondContact O-N 2.98Å; N183-S185 VanDerWaalsContact O-N 3.15Å; S185-E217 PolarHBondContact OG-OE2 2.93Å
186	Q	94.5	Very high	94.9	Very high	108 Å²	108	45.6 Å²	45.6	51%	0.505	23%	0.226	S	C	.	.	H	α-helix	trans	-85.1	-36.8	175.3	-64	177.9	40.1	0	0	112.1	P154 N183 F184 A188 T189 Q190	P154-Q186 HydrophobicContact CB-CB 3.9Å; P154-Q186 HydrophobicContact CG-CB 3.91Å; N183-Q186 PolarHBondContact O-N 2.92Å; F184-Q186 PolarHBondContact O-N 3Å; Q186-A188 VanDerWaalsContact C-N 3.34Å; Q186-T189 PolarHBondContact O-N 2.84Å; Q186-T189 PolarHBondContact O-OG1 3.2Å; Q186-Q190 WeakPolarHBondContact O-CG 3.49Å; Q186-Q190 PolarHBondContact O-NE2 2.83Å
187	V	96.4	Very high	94.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-39.6	177.6	173.7	0	0	0	0	110.7	P154 I158 I180 N183 F184 T189 Q190 F193	P154-V187 HydrophobicContact CB-CG2 4Å; I158-V187 HydrophobicContact CD1-CG1 3.56Å; I158-V187 HydrophobicContact CG1-CG1 3.94Å; I180-V187 HydrophobicContact CG2-CG1 4.32Å; N183-V187 HydrophobicContact CB-CG2 4.42Å; N183-V187 WeakPolarHBondContact O-CG2 3.22Å; N183-V187 PolarHBondContact O-N 3.26Å; F184-V187 PolarHBondContact O-N 3.42Å; V187-T189 PolarHBondContact O-N 3.49Å; V187-Q190 WeakPolarHBondContact O-CB 3.44Å; V187-Q190 PolarHBondContact O-N 2.84Å; V187-F193 WeakPolarHBondContact O-CB 3.26Å
188	A	96.1	Very high	94.8	Very high	10 Å²	10	46.9 Å²	46.9	8%	0.083	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.2	-179	0	0	0	0	0	114.2	F184 Q186 F193 A221	F184-A188 HydrophobicContact CE1-CB 4.23Å; F184-A188 HydrophobicContact CZ-CB 4.35Å; F184-A188 VanDerWaalsContact O-CB 3.26Å; F184-A188 WeakPolarHBondContact O-CB 3.28Å; F184-A188 PolarHBondContact O-N 2.88Å; Q186-A188 VanDerWaalsContact C-N 3.34Å; A188-F193 HydrophobicContact CB-CD2 4.42Å; A188-F193 HydrophobicContact CB-CE1 4.42Å; A188-F193 HydrophobicContact CB-CE2 4.26Å; A188-F193 HydrophobicContact CB-CZ 4.27Å; A188-F193 WeakPolarHBondContact O-CD1 3.26Å; A188-A221 HydrophobicContact CB-CB 3.8Å
189	T	95.9	Very high	94.8	Very high	94 Å²	94	48.3 Å²	48.3	58%	0.577	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.2	176.2	67	0	0	0	0	113.5	Q186 V187	Q186-T189 PolarHBondContact O-N 2.84Å; Q186-T189 PolarHBondContact O-OG1 3.2Å; V187-T189 PolarHBondContact O-N 3.49Å
190	Q	97.3	Very high	94.8	Very high	62 Å²	62	49.5 Å²	49.5	29%	0.29	26%	0.264	S	S	.	.	S	Bend	trans	-92.1	157.9	-174	-52.5	-55.9	-38.8	0	0	112.4	P154 Q186 V187 E192 F193 F194	P154-Q190 HydrophobicContact CB-CG 4.2Å; P154-Q190 WeakPolarHBondContact O-CG 3.47Å; Q186-Q190 WeakPolarHBondContact O-CG 3.49Å; Q186-Q190 PolarHBondContact O-NE2 2.83Å; V187-Q190 WeakPolarHBondContact O-CB 3.44Å; V187-Q190 PolarHBondContact O-N 2.84Å; Q190-E192 VanDerWaalsContact C-N 3.34Å; Q190-E192 PolarHBondContact O-N 2.88Å; Q190-F193 WeakPolarHBondContact O-CB 3.21Å; Q190-F193 PolarHBondContact O-N 3.49Å; Q190-F193 VanDerWaalsContact O-N 3.17Å; Q190-F194 VanDerWaalsContact O-CD2 3.22Å; Q190-F194 WeakPolarHBondContact O-CD2 3.41Å
191	E	95.3	Very high	94.8	Very high	134 Å²	134	49 Å²	49	63%	0.626	26%	0.262	S	S	*	.	H	α-helix	trans	-58.9	-40.8	-177.2	-167.5	179.1	168.6	0	0	113.1	F193 F194 N195	E191-F193 PolarHBondContact O-N 3.18Å; E191-F193 VanDerWaalsContact O-N 3.16Å; E191-F194 PolarHBondContact O-N 2.97Å; E191-N195 PolarHBondContact O-N 3.01Å
192	E	95.6	Very high	94.9	Very high	51 Å²	51	50 Å²	50	24%	0.238	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-31.2	179.4	-66.6	-167.1	154	0	0	113.1	S155 N156 I158 G159 Q190 N195 L196	S155-E192 VanDerWaalsContact O-CG 3.29Å; S155-E192 WeakPolarHBondContact O-CG 3.31Å; N156-E192 VanDerWaalsContact CA-OE2 3.3Å; N156-E192 WeakPolarHBondContact CA-OE2 3.37Å; I158-E192 HydrophobicContact CB-CB 3.99Å; I158-E192 WeakPolarHBondContact CB-OE2 3.29Å; I158-E192 HydrophobicContact CD1-CB 4.26Å; I158-E192 HydrophobicContact CG2-CB 4.37Å; I158-E192 PolarHBondContact N-OE2 2.9Å; I158-E192 VanDerWaalsContact N-OE2 3.11Å; G159-E192 PolarHBondContact N-OE1 3.27Å; G159-E192 PolarHBondContact N-OE2 3.43Å; Q190-E192 VanDerWaalsContact C-N 3.34Å; Q190-E192 PolarHBondContact O-N 2.88Å; E192-N195 PolarHBondContact O-N 3.42Å; E192-L196 PolarHBondContact O-N 2.94Å
193	F	97	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-39.9	176.4	-178.4	-95	0	0	0	111.7	I158 F184 V187 A188 Q190 E191 N195 L196 L201 L204 A221 W225	I158-F193 HydrophobicContact CD1-CB 3.98Å; I158-F193 HydrophobicContact CD1-CD2 4.28Å; F184-F193 HydrophobicContact CE2-CE2 4.06Å; F184-F193 HydrophobicContact CZ-CE2 4.28Å; F184-F193 HydrophobicContact CZ-CZ 4.47Å; V187-F193 WeakPolarHBondContact O-CB 3.26Å; A188-F193 HydrophobicContact CB-CD2 4.42Å; A188-F193 HydrophobicContact CB-CE1 4.42Å; A188-F193 HydrophobicContact CB-CE2 4.26Å; A188-F193 HydrophobicContact CB-CZ 4.27Å; A188-F193 WeakPolarHBondContact O-CD1 3.26Å; Q190-F193 WeakPolarHBondContact O-CB 3.21Å; Q190-F193 PolarHBondContact O-N 3.49Å; Q190-F193 VanDerWaalsContact O-N 3.17Å; E191-F193 PolarHBondContact O-N 3.18Å; E191-F193 VanDerWaalsContact O-N 3.16Å; F193-N195 PolarHBondContact O-N 3.29Å; F193-L196 HydrophobicContact CD2-CD1 3.8Å; F193-L196 HydrophobicContact CE2-CD1 4.16Å; F193-L196 HydrophobicContact CG-CD1 4.38Å; F193-L196 WeakPolarHBondContact O-CB 3.32Å; F193-L196 WeakPolarHBondContact O-CG 3.46Å; F193-L196 PolarHBondContact O-N 3.26Å; F193-L201 HydrophobicContact CE1-CD1 4.29Å; F193-L201 HydrophobicContact CE2-CD1 3.66Å; F193-L201 HydrophobicContact CZ-CD1 3.41Å; F193-L201 VanDerWaalsContact CZ-CD1 3.41Å; F193-L204 HydrophobicContact CD2-CD2 4.35Å; F193-L204 HydrophobicContact CE2-CD2 4Å; F193-A221 HydrophobicContact CE1-CB 4.23Å; F193-A221 HydrophobicContact CZ-CB 3.95Å; F193-W225 HydrophobicContact CE1-CB 4.06Å
194	F	95.9	Very high	95.2	Very high	34 Å²	34	50.8 Å²	50.8	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-69.5	-20.1	176.9	-61.5	-72	0	0	0	112.8	Q190 E191 A224 Y228 R233	Q190-F194 VanDerWaalsContact O-CD2 3.22Å; Q190-F194 WeakPolarHBondContact O-CD2 3.41Å; E191-F194 PolarHBondContact O-N 2.97Å; F194-A224 HydrophobicContact CE1-CB 4.02Å; F194-A224 HydrophobicContact CZ-CB 4.37Å; F194-Y228 HydrophobicContact CB-CD1 3.97Å; F194-Y228 HydrophobicContact CB-CD2 4.03Å; F194-Y228 HydrophobicContact CB-CE1 4.07Å; F194-Y228 HydrophobicContact CB-CE2 4.15Å; F194-Y228 HydrophobicContact CB-CG 3.93Å; F194-Y228 AromaticContact CD1-CD2 3.94Å; F194-Y228 HydrophobicContact CD1-CD2 3.94Å; F194-Y228 AromaticContact CD1-CG 3.87Å; F194-Y228 HydrophobicContact CD1-CG 3.87Å; F194-Y228 HydrophobicContact CD2-CD2 4.49Å; F194-Y228 AromaticContact CG-CD2 3.89Å; F194-Y228 HydrophobicContact CG-CD2 3.89Å; F194-Y228 HydrophobicContact CG-CE2 4.28Å; F194-Y228 HydrophobicContact CG-CG 4.05Å; F194-R233 PolarHBondContact O-NH1 2.99Å; F194-R233 VanDerWaalsContact O-NH1 3.16Å; F194-R233 PolarHBondContact O-NH2 3.15Å
195	N	94.6	Very high	95.2	Very high	104 Å²	104	50.7 Å²	50.7	56%	0.556	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-5.5	175.8	-68.1	-29.3	0	0	0	113.8	E191 E192 F193	E191-N195 PolarHBondContact O-N 3.01Å; E192-N195 PolarHBondContact O-N 3.42Å; F193-N195 PolarHBondContact O-N 3.29Å
196	L	95.4	Very high	95.2	Very high	15 Å²	15	51 Å²	51	8%	0.079	28%	0.275	C	S	.	.			trans	-62.3	140.2	175	-68.4	176.1	0	0	0	111.8	I158 E192 F193 Q200 L201 L204 W225	I158-L196 HydrophobicContact CD1-CD1 4.11Å; I158-L196 HydrophobicContact CD1-CD2 4.44Å; I158-L196 HydrophobicContact CD1-CG 4.33Å; I158-L196 HydrophobicContact CG2-CD2 3.56Å; I158-L196 HydrophobicContact CG2-CG 4.4Å; E192-L196 PolarHBondContact O-N 2.94Å; F193-L196 HydrophobicContact CD2-CD1 3.8Å; F193-L196 HydrophobicContact CE2-CD1 4.16Å; F193-L196 HydrophobicContact CG-CD1 4.38Å; F193-L196 WeakPolarHBondContact O-CB 3.32Å; F193-L196 WeakPolarHBondContact O-CG 3.46Å; F193-L196 PolarHBondContact O-N 3.26Å; L196-Q200 HydrophobicContact CB-CB 4.47Å; L196-Q200 HydrophobicContact CD2-CB 4.07Å; L196-L201 HydrophobicContact CD1-CD1 4.4Å; L196-L204 HydrophobicContact CD1-CD2 4.03Å; L196-W225 WeakPolarHBondContact O-CZ2 3.34Å; L196-W225 PolarHBondContact O-NE1 3.45Å; L196-W225 VanDerWaalsContact O-NE1 3.11Å
197	S	93.9	Very high	95.1	Very high	55 Å²	55	49.8 Å²	49.8	39%	0.385	27%	0.266	S	S	.	.			trans	-70	161.2	166.1	67.2	0	0	0	0	111.7	C199 Q200 L201	S197-C199 VanDerWaalsContact C-N 3.31Å; S197-C199 PolarHBondContact O-N 2.98Å; S197-Q200 PolarHBondContact O-N 3.44Å; S197-Q200 VanDerWaalsContact OG-CD 3.27Å; S197-Q200 VanDerWaalsContact OG-CG 3.28Å; S197-Q200 WeakPolarHBondContact OG-CG 3.48Å; S197-Q200 PolarHBondContact OG-N 3.38Å; S197-Q200 PolarHBondContact OG-OE1 3.09Å; S197-L201 PolarHBondContact O-N 3.49Å
198	Q	94.1	Very high	94.9	Very high	45 Å²	45	52.7 Å²	52.7	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-44	177.1	176.7	-84.1	-20.9	0	0	112.7	Q200 L201 V202 W225 Y236	Q198-Q200 PolarHBondContact O-N 2.93Å; Q198-L201 PolarHBondContact O-N 3.3Å; Q198-V202 WeakPolarHBondContact O-CG2 3.3Å; Q198-V202 PolarHBondContact O-N 2.98Å; Q198-W225 HydrophobicContact CB-CH2 4.19Å; Q198-Y236 HydrophobicContact CB-CD1 4.38Å; Q198-Y236 HydrophobicContact CB-CD2 4.25Å; Q198-Y236 HydrophobicContact CB-CG 4.14Å; Q198-Y236 HydrophobicContact CG-CD1 3.71Å; Q198-Y236 HydrophobicContact CG-CD2 4.22Å; Q198-Y236 HydrophobicContact CG-CE1 4.4Å; Q198-Y236 HydrophobicContact CG-CG 3.6Å
199	C	94	Very high	94.7	Very high	90 Å²	90	54.9 Å²	54.9	61%	0.608	29%	0.29	S	S	*	.	H	α-helix	trans	-63.9	-42	-179.9	-66.2	0	0	0	0	111.7	S197 N203	S197-C199 VanDerWaalsContact C-N 3.31Å; S197-C199 PolarHBondContact O-N 2.98Å; C199-N203 VanDerWaalsContact O-CB 3.3Å; C199-N203 WeakPolarHBondContact O-CB 3.48Å; C199-N203 PolarHBondContact O-N 3.05Å
200	Q	94.7	Very high	94.5	Very high	85 Å²	85	50.4 Å²	50.4	40%	0.397	26%	0.263	S	S	.	.	H	α-helix	trans	-66.4	-42.7	178.5	-71.9	166.5	-44.6	0	0	111.1	L196 S197 Q198 N203 L204	L196-Q200 HydrophobicContact CB-CB 4.47Å; L196-Q200 HydrophobicContact CD2-CB 4.07Å; S197-Q200 PolarHBondContact O-N 3.44Å; S197-Q200 VanDerWaalsContact OG-CD 3.27Å; S197-Q200 VanDerWaalsContact OG-CG 3.28Å; S197-Q200 WeakPolarHBondContact OG-CG 3.48Å; S197-Q200 PolarHBondContact OG-N 3.38Å; S197-Q200 PolarHBondContact OG-OE1 3.09Å; Q198-Q200 PolarHBondContact O-N 2.93Å; Q200-N203 PolarHBondContact O-N 3.28Å; Q200-L204 WeakPolarHBondContact O-CB 3.4Å; Q200-L204 PolarHBondContact O-N 3.46Å
201	L	96.1	Very high	94.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-47.3	178.5	-180	60.6	0	0	0	111.8	F193 L196 S197 Q198 N203 L204 I205 W225 L240	F193-L201 HydrophobicContact CE1-CD1 4.29Å; F193-L201 HydrophobicContact CE2-CD1 3.66Å; F193-L201 HydrophobicContact CZ-CD1 3.41Å; F193-L201 VanDerWaalsContact CZ-CD1 3.41Å; L196-L201 HydrophobicContact CD1-CD1 4.4Å; S197-L201 PolarHBondContact O-N 3.49Å; Q198-L201 PolarHBondContact O-N 3.3Å; L201-N203 VanDerWaalsContact C-N 3.3Å; L201-N203 PolarHBondContact O-N 2.88Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.3Å; L201-L204 VanDerWaalsContact O-N 3.14Å; L201-I205 HydrophobicContact CD1-CG2 3.78Å; L201-I205 HydrophobicContact CG-CG2 4.41Å; L201-I205 WeakPolarHBondContact O-CG1 3.35Å; L201-I205 PolarHBondContact O-N 2.98Å; L201-W225 HydrophobicContact CD2-CB 3.95Å; L201-W225 HydrophobicContact CD2-CD2 3.39Å; L201-W225 HydrophobicContact CD2-CE3 3.69Å; L201-W225 HydrophobicContact CD2-CG 3.5Å; L201-W225 VanDerWaalsContact CD2-CG 3.5Å; L201-W225 HydrophobicContact CD2-CZ3 4.37Å; L201-L240 HydrophobicContact CD2-CD1 4.4Å; L201-L240 HydrophobicContact CD2-CD2 3.64Å; L201-L240 HydrophobicContact CG-CD2 3.87Å
202	V	95.9	Very high	93.9	Very high	34 Å²	34	44.3 Å²	44.3	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-44.5	176	166.6	0	0	0	0	110.9	Q198 L204 S206 L240 A243	Q198-V202 WeakPolarHBondContact O-CG2 3.3Å; Q198-V202 PolarHBondContact O-N 2.98Å; V202-L204 VanDerWaalsContact C-N 3.32Å; V202-L204 PolarHBondContact O-N 3.45Å; V202-S206 VanDerWaalsContact O-CB 3.26Å; V202-S206 WeakPolarHBondContact O-CB 3.43Å; V202-S206 PolarHBondContact O-N 3.35Å; V202-S206 VanDerWaalsContact O-N 3.08Å; V202-S206 PolarHBondContact O-OG 2.89Å; V202-L240 HydrophobicContact CG2-CD2 3.79Å; V202-A243 HydrophobicContact CG1-CB 4.05Å
203	N	94.2	Very high	93.3	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-41.3	177	-169.7	-35.3	0	0	0	111.5	C199 Q200 L201 R207	C199-N203 VanDerWaalsContact O-CB 3.3Å; C199-N203 WeakPolarHBondContact O-CB 3.48Å; C199-N203 PolarHBondContact O-N 3.05Å; Q200-N203 PolarHBondContact O-N 3.28Å; L201-N203 VanDerWaalsContact C-N 3.3Å; L201-N203 PolarHBondContact O-N 2.88Å; N203-R207 WeakPolarHBondContact O-CG 3.4Å; N203-R207 PolarHBondContact OD1-NE 3Å; N203-R207 VanDerWaalsContact OD1-NE 3.13Å; N203-R207 PolarHBondContact OD1-NH2 3.05Å
204	L	95	Very high	92.8	Very high	18 Å²	18	52.7 Å²	52.7	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-53.6	178.7	175.8	59.1	0	0	0	112.2	I180 Y181 F184 F193 L196 Q200 L201 V202 S206 R207 L210	I180-L204 HydrophobicContact CG2-CD1 3.79Å; I180-L204 HydrophobicContact CG2-CD2 4.37Å; Y181-L204 HydrophobicContact CD1-CD1 3.86Å; Y181-L204 HydrophobicContact CE1-CD1 3.56Å; F184-L204 HydrophobicContact CD2-CD1 4.47Å; F184-L204 HydrophobicContact CD2-CD2 4.37Å; F184-L204 HydrophobicContact CD2-CG 4.37Å; F184-L204 HydrophobicContact CE2-CD2 3.95Å; F184-L204 HydrophobicContact CE2-CG 4.01Å; F193-L204 HydrophobicContact CD2-CD2 4.35Å; F193-L204 HydrophobicContact CE2-CD2 4Å; L196-L204 HydrophobicContact CD1-CD2 4.03Å; Q200-L204 WeakPolarHBondContact O-CB 3.4Å; Q200-L204 PolarHBondContact O-N 3.46Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.3Å; L201-L204 VanDerWaalsContact O-N 3.14Å; V202-L204 VanDerWaalsContact C-N 3.32Å; V202-L204 PolarHBondContact O-N 3.45Å; L204-S206 VanDerWaalsContact C-N 3.25Å; L204-S206 PolarHBondContact O-N 2.98Å; L204-R207 WeakPolarHBondContact O-CB 3.29Å; L204-R207 WeakPolarHBondContact O-CG 3.41Å; L204-R207 PolarHBondContact O-N 3.2Å; L204-L210 HydrophobicContact CD1-CD2 4.05Å
205	I	95.1	Very high	92.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-20.7	-175.5	68.9	-173.6	0	0	0	113.3	F184 L201 R207 V218 C222 L240 A243 V244 R290	F184-I205 HydrophobicContact CE2-CG2 4.4Å; F184-I205 HydrophobicContact CZ-CG2 4.2Å; L201-I205 HydrophobicContact CD1-CG2 3.78Å; L201-I205 HydrophobicContact CG-CG2 4.41Å; L201-I205 WeakPolarHBondContact O-CG1 3.35Å; L201-I205 PolarHBondContact O-N 2.98Å; I205-R207 VanDerWaalsContact C-N 3.25Å; I205-R207 PolarHBondContact O-N 3.14Å; I205-V218 HydrophobicContact CB-CG1 3.75Å; I205-V218 HydrophobicContact CG2-CG1 3.85Å; I205-C222 VanDerWaalsContact CD1-SG 3.5Å; I205-L240 HydrophobicContact CD1-CD2 3.82Å; I205-A243 HydrophobicContact CD1-CB 3.73Å; I205-A243 HydrophobicContact CG1-CB 3.69Å; I205-V244 HydrophobicContact CD1-CG2 4.17Å; I205-R290 VanDerWaalsContact O-CZ 3.32Å; I205-R290 PolarHBondContact O-NH1 3.22Å; I205-R290 PolarHBondContact O-NH2 2.8Å
206	S	93.3	Very high	92.5	Very high	50 Å²	50	48 Å²	48	35%	0.35	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.6	175.6	-57.5	0	0	0	0	113.4	V202 L204 A243	V202-S206 VanDerWaalsContact O-CB 3.26Å; V202-S206 WeakPolarHBondContact O-CB 3.43Å; V202-S206 PolarHBondContact O-N 3.35Å; V202-S206 VanDerWaalsContact O-N 3.08Å; V202-S206 PolarHBondContact O-OG 2.89Å; L204-S206 VanDerWaalsContact C-N 3.25Å; L204-S206 PolarHBondContact O-N 2.98Å; S206-A243 WeakPolarHBondContact OG-CB 3.32Å
207	R	92.5	Very high	92.4	Very high	83 Å²	83	48.4 Å²	48.4	31%	0.313	25%	0.254	S	S	.	.			trans	-75.7	127.9	-173.7	-67.8	-65.3	169.4	178.4	-3.5	113.4	Y181 N203 L204 I205 E209 L210 R290	Y181-R207 HydrophobicContact CE1-CG 4.16Å; N203-R207 WeakPolarHBondContact O-CG 3.4Å; N203-R207 PolarHBondContact OD1-NE 3Å; N203-R207 VanDerWaalsContact OD1-NE 3.13Å; N203-R207 PolarHBondContact OD1-NH2 3.05Å; L204-R207 WeakPolarHBondContact O-CB 3.29Å; L204-R207 WeakPolarHBondContact O-CG 3.41Å; L204-R207 PolarHBondContact O-N 3.2Å; I205-R207 VanDerWaalsContact C-N 3.25Å; I205-R207 PolarHBondContact O-N 3.14Å; R207-E209 PolarHBondContact O-N 3.06Å; R207-L210 HydrophobicContact CB-CG 4.25Å; R207-L210 WeakPolarHBondContact O-CG 3.49Å; R207-L210 PolarHBondContact O-N 3.47Å; R207-R290 PolarHBondContact O-NH1 3.1Å
208	D	91.1	Very high	92.4	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.2	179.1	-60.1	-1.6	0	0	0	111.6	L210 R245 R290 T291	D208-L210 PolarHBondContact O-N 3.11Å; D208-R245 IonicContact OD1-CZ 3.11Å; D208-R245 IonicContact OD1-NH2 3.55Å; D208-R245 PolarHBondContact OD1-NH2 3.49Å; D208-R245 IonicContact OD2-NH2 3.44Å; D208-R290 CarbonylContact O-C 3.49Å; D208-R290 WeakPolarHBondContact O-CA 3.45Å; D208-T291 WeakPolarHBondContact CB-OG1 3.47Å; D208-T291 CarbonylContact O-C 3.5Å; D208-T291 PolarHBondContact O-N 3.16Å
209	E	91.2	Very high	92.5	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.257	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-0.4	-175.3	-54.5	90.4	157	0	0	115.1	Y181 R207 N211 P292 K293	Y181-E209 HydrophobicContact CD2-CB 4.04Å; R207-E209 PolarHBondContact O-N 3.06Å; E209-N211 PolarHBondContact O-N 2.82Å; E209-P292 WeakPolarHBondContact O-CA 2.92Å; E209-K293 HydrophobicContact CB-CG 4.39Å; E209-K293 HydrophobicContact CG-CG 4.18Å
210	L	92.3	Very high	92.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.			trans	-62.7	124.2	177.5	-68.1	-173.7	0	0	0	111.2	Y181 F184 L204 R207 D208 V212	Y181-L210 HydrophobicContact CD1-CD2 3.62Å; Y181-L210 HydrophobicContact CE1-CD2 4.38Å; Y181-L210 HydrophobicContact CG-CD2 4.2Å; F184-L210 HydrophobicContact CB-CD2 4.25Å; F184-L210 HydrophobicContact CD2-CD1 4.14Å; F184-L210 HydrophobicContact CD2-CD2 3.82Å; F184-L210 HydrophobicContact CE2-CD1 4.2Å; F184-L210 HydrophobicContact CG-CD1 4.42Å; F184-L210 HydrophobicContact CG-CD2 4.18Å; L204-L210 HydrophobicContact CD1-CD2 4.05Å; R207-L210 HydrophobicContact CB-CG 4.25Å; R207-L210 WeakPolarHBondContact O-CG 3.49Å; R207-L210 PolarHBondContact O-N 3.47Å; D208-L210 PolarHBondContact O-N 3.11Å; L210-V212 PolarHBondContact O-N 3.4Å
211	N	90.3	Very high	92.6	Very high	46 Å²	46	40.8 Å²	40.8	25%	0.246	21%	0.205	C	C	.	.			trans	-88.8	87.1	175.2	-175.3	32.7	0	0	0	110	Y181 M182 E209 P292	Y181-N211 WeakPolarHBondContact O-CB 3.23Å; Y181-N211 PolarHBondContact O-N 2.58Å; M182-N211 HydrophobicContact CE-CB 4.43Å; M182-N211 PolarHBondContact O-ND2 2.92Å; M182-N211 VanDerWaalsContact O-ND2 3.08Å; M182-N211 HydrophobicContact SD-CB 4.29Å; E209-N211 PolarHBondContact O-N 2.82Å; N211-P292 HydrophobicContact CB-CB 3.86Å
212	V	88.8	Confident	92.6	Very high	23 Å²	23	41 Å²	41	14%	0.139	21%	0.206	C	C	.	.			trans	-121.3	150	176.6	-66.2	0	0	0	0	110.2	F184 L210 C214 V218 R290	F184-V212 HydrophobicContact CB-CG1 4.25Å; F184-V212 HydrophobicContact CD1-CG1 3.55Å; F184-V212 HydrophobicContact CE1-CG1 4.31Å; F184-V212 HydrophobicContact CG-CG1 4.21Å; L210-V212 PolarHBondContact O-N 3.4Å; V212-C214 VanDerWaalsContact C-N 3.35Å; V212-V218 HydrophobicContact CB-CG2 4.38Å; V212-V218 HydrophobicContact CG1-CG2 3.88Å; V212-V218 HydrophobicContact CG2-CG2 4.01Å; V212-R290 HydrophobicContact CG2-CG 4.32Å
213	R	83.3	Confident	92.5	Very high	175 Å²	175	39.8 Å²	39.8	66%	0.66	20%	0.199	S	C	*	.	S	Bend	trans	-71.4	-34.4	179.1	-65.9	-179.3	-66.2	176.2	1.1	112.1	E217	R213-E217 IonicContact CZ-OE1 2.77Å; R213-E217 IonicContact NE-OE1 3.72Å; R213-E217 PolarHBondContact NE-OE1 2.93Å; R213-E217 IonicContact NH2-OE1 3.17Å; R213-E217 PolarHBondContact NH2-OE1 3.01Å
214	C	87.2	Confident	92.5	Very high	52 Å²	52	37.6 Å²	37.6	35%	0.351	19%	0.192	S	C	.	.	S	Bend	trans	-159	159.2	178.9	51.4	0	0	0	0	110.1	V212 S216 E217	V212-C214 VanDerWaalsContact C-N 3.35Å; C214-S216 PolarHBondContact O-N 2.83Å; C214-S216 PolarHBondContact SG-OG 2.82Å; C214-E217 PolarHBondContact O-N 2.78Å
215	E	91.7	Very high	92.6	Very high	11 Å²	11	37 Å²	37	5%	0.051	19%	0.189	C	C	.	.	H	α-helix	trans	-68.2	-18.3	-176.5	-166.7	65.9	-165.8	0	0	112.8	E217 V218 F219 V244 R245 L249 R290	E215-E217 PolarHBondContact O-N 2.91Å; E215-V218 PolarHBondContact O-N 2.82Å; E215-F219 PolarHBondContact O-N 2.93Å; E215-V244 HydrophobicContact CG-CG1 4.03Å; E215-R245 HydrophobicContact CG-CB 3.99Å; E215-R245 PolarHBondContact OE1-N 2.79Å; E215-L249 HydrophobicContact CB-CD2 3.95Å; E215-L249 HydrophobicContact CG-CD2 4.19Å; E215-R290 IonicContact OE1-CZ 3.45Å; E215-R290 IonicContact OE1-NH2 3.36Å; E215-R290 PolarHBondContact OE1-NH2 2.82Å; E215-R290 IonicContact OE2-CZ 3.59Å; E215-R290 IonicContact OE2-NE 2.9Å; E215-R290 PolarHBondContact OE2-NE 3.11Å; E215-R290 IonicContact OE2-NH2 3.82Å; E215-R290 PolarHBondContact OE2-NH2 2.71Å
216	S	91.9	Very high	92.5	Very high	27 Å²	27	37.2 Å²	37.2	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-27.9	175.5	53.6	0	0	0	0	112.6	C214 F219 Q220	C214-S216 PolarHBondContact O-N 2.83Å; C214-S216 PolarHBondContact SG-OG 2.82Å; S216-F219 PolarHBondContact O-N 2.95Å; S216-Q220 WeakPolarHBondContact O-CB 3.37Å; S216-Q220 VanDerWaalsContact O-CG 3.25Å; S216-Q220 WeakPolarHBondContact O-CG 3.43Å; S216-Q220 PolarHBondContact O-N 3.46Å
217	E	92.9	Very high	92.5	Very high	24 Å²	24	41.8 Å²	41.8	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-42.7	173.8	-65.2	-172.2	170.9	0	0	111.5	S185 R213 C214 E215 Q220 A221	S185-E217 PolarHBondContact OG-OE2 2.93Å; R213-E217 IonicContact CZ-OE1 2.77Å; R213-E217 IonicContact NE-OE1 3.72Å; R213-E217 PolarHBondContact NE-OE1 2.93Å; R213-E217 IonicContact NH2-OE1 3.17Å; R213-E217 PolarHBondContact NH2-OE1 3.01Å; C214-E217 PolarHBondContact O-N 2.78Å; E215-E217 PolarHBondContact O-N 2.91Å; E217-Q220 PolarHBondContact O-N 2.8Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.94Å
218	V	95.4	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-42.8	177.1	-173.2	0	0	0	0	110.3	F184 I205 V212 E215 A221 C222 V244	F184-V218 HydrophobicContact CE1-CB 4.45Å; F184-V218 HydrophobicContact CE1-CG2 4.08Å; F184-V218 HydrophobicContact CZ-CG1 4.43Å; I205-V218 HydrophobicContact CB-CG1 3.75Å; I205-V218 HydrophobicContact CG2-CG1 3.85Å; V212-V218 HydrophobicContact CB-CG2 4.38Å; V212-V218 HydrophobicContact CG1-CG2 3.88Å; V212-V218 HydrophobicContact CG2-CG2 4.01Å; E215-V218 PolarHBondContact O-N 2.82Å; V218-A221 PolarHBondContact O-N 2.81Å; V218-C222 PolarHBondContact O-N 2.8Å; V218-C222 VanDerWaalsContact O-N 3.08Å; V218-C222 PolarHBondContact O-SG 2.82Å; V218-V244 HydrophobicContact CG1-CG2 4.23Å
219	F	95.5	Very high	92.7	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-48	175.2	-173.7	-80.8	0	0	0	111.4	E215 S216 A221 C222 V223 L241 V244 L249 F253 Q257 L261 W263 L271	E215-F219 PolarHBondContact O-N 2.93Å; S216-F219 PolarHBondContact O-N 2.95Å; F219-A221 VanDerWaalsContact C-N 3.35Å; F219-A221 PolarHBondContact O-N 3.21Å; F219-C222 WeakPolarHBondContact O-CB 3.32Å; F219-C222 PolarHBondContact O-N 2.81Å; F219-V223 HydrophobicContact CD1-CG2 3.74Å; F219-V223 HydrophobicContact CE1-CG2 3.47Å; F219-V223 VanDerWaalsContact CE1-CG2 3.47Å; F219-V223 HydrophobicContact CZ-CG2 4.32Å; F219-V223 WeakPolarHBondContact O-CG2 3.5Å; F219-V223 PolarHBondContact O-N 2.81Å; F219-L241 HydrophobicContact CD2-CD2 4.1Å; F219-L241 HydrophobicContact CE2-CD2 3.48Å; F219-L241 VanDerWaalsContact CE2-CD2 3.48Å; F219-L241 HydrophobicContact CZ-CD2 4.26Å; F219-V244 HydrophobicContact CB-CG1 4.19Å; F219-V244 HydrophobicContact CD2-CG1 4.19Å; F219-L249 HydrophobicContact CB-CD2 4.42Å; F219-L249 HydrophobicContact CD2-CD1 3.8Å; F219-L249 HydrophobicContact CE2-CD1 4.37Å; F219-L249 HydrophobicContact CG-CD1 4.34Å; F219-F253 HydrophobicContact CB-CE1 4.22Å; F219-F253 HydrophobicContact CB-CZ 4.38Å; F219-F253 AromaticContact CD1-CE1 3.68Å; F219-F253 HydrophobicContact CD1-CE1 3.68Å; F219-F253 AromaticContact CD1-CZ 3.71Å; F219-F253 HydrophobicContact CD1-CZ 3.71Å; F219-F253 HydrophobicContact CE1-CE1 4.14Å; F219-F253 HydrophobicContact CE1-CZ 4.33Å; F219-F253 AromaticContact CG-CE1 3.89Å; F219-F253 HydrophobicContact CG-CE1 3.89Å; F219-F253 HydrophobicContact CG-CZ 4.23Å; F219-Q257 HydrophobicContact CD1-CG 4.37Å; F219-Q257 HydrophobicContact CE1-CB 4.26Å; F219-Q257 HydrophobicContact CE1-CG 3.68Å; F219-Q257 HydrophobicContact CZ-CB 4.3Å; F219-Q257 HydrophobicContact CZ-CG 4.15Å; F219-L261 HydrophobicContact CE1-CD1 3.97Å; F219-L261 HydrophobicContact CZ-CD1 3.86Å; F219-W263 HydrophobicContact CE1-CH2 4.16Å; F219-W263 HydrophobicContact CE2-CH2 4.41Å; F219-W263 HydrophobicContact CE2-CZ3 4.33Å; F219-W263 AromaticContact CZ-CH2 3.75Å; F219-W263 HydrophobicContact CZ-CH2 3.75Å; F219-W263 AromaticContact CZ-CZ3 3.76Å; F219-W263 HydrophobicContact CZ-CZ3 3.76Å; F219-L271 HydrophobicContact CE2-CD1 4.29Å; F219-L271 HydrophobicContact CE2-CD2 4.24Å; F219-L271 HydrophobicContact CZ-CD1 4.2Å
220	Q	94.8	Very high	92.6	Very high	106 Å²	106	44.9 Å²	44.9	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-38.8	178.8	-76.3	176.5	-7.7	0	0	112.3	S216 E217 C222 V223 A224 F253	S216-Q220 WeakPolarHBondContact O-CB 3.37Å; S216-Q220 VanDerWaalsContact O-CG 3.25Å; S216-Q220 WeakPolarHBondContact O-CG 3.43Å; S216-Q220 PolarHBondContact O-N 3.46Å; E217-Q220 PolarHBondContact O-N 2.8Å; Q220-C222 VanDerWaalsContact C-N 3.31Å; Q220-C222 PolarHBondContact O-N 2.92Å; Q220-V223 PolarHBondContact O-N 3.32Å; Q220-A224 WeakPolarHBondContact O-CB 3.3Å; Q220-A224 PolarHBondContact O-N 2.83Å; Q220-F253 HydrophobicContact CG-CE2 4.49Å; Q220-F253 HydrophobicContact CG-CZ 4.28Å
221	A	96.2	Very high	92.4	Very high	8 Å²	8	53.2 Å²	53.2	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-42.1	173.6	0	0	0	0	0	111.7	F184 A188 F193 E217 V218 F219 A224 W225	F184-A221 HydrophobicContact CE1-CB 4.1Å; F184-A221 HydrophobicContact CZ-CB 4.05Å; A188-A221 HydrophobicContact CB-CB 3.8Å; F193-A221 HydrophobicContact CE1-CB 4.23Å; F193-A221 HydrophobicContact CZ-CB 3.95Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.94Å; V218-A221 PolarHBondContact O-N 2.81Å; F219-A221 VanDerWaalsContact C-N 3.35Å; F219-A221 PolarHBondContact O-N 3.21Å; A221-A224 PolarHBondContact O-N 2.84Å; A221-W225 WeakPolarHBondContact O-CB 3.49Å; A221-W225 PolarHBondContact O-N 3.14Å
222	C	95.4	Very high	92.4	Very high	5 Å²	5	56 Å²	56	3%	0.034	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-44.3	174.9	-63.2	0	0	0	0	111.8	I205 V218 F219 Q220 A224 W225 V226	I205-C222 VanDerWaalsContact CD1-SG 3.5Å; V218-C222 PolarHBondContact O-N 2.8Å; V218-C222 VanDerWaalsContact O-N 3.08Å; V218-C222 PolarHBondContact O-SG 2.82Å; F219-C222 WeakPolarHBondContact O-CB 3.32Å; F219-C222 PolarHBondContact O-N 2.81Å; Q220-C222 VanDerWaalsContact C-N 3.31Å; Q220-C222 PolarHBondContact O-N 2.92Å; C222-A224 VanDerWaalsContact C-N 3.34Å; C222-A224 PolarHBondContact O-N 3.16Å; C222-W225 PolarHBondContact O-N 3.12Å; C222-V226 WeakPolarHBondContact O-CG2 3.39Å; C222-V226 PolarHBondContact O-N 3.03Å
223	V	94.2	Very high	92.7	Very high	8 Å²	8	56.2 Å²	56.2	5%	0.048	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-45.5	176.3	174.7	0	0	0	0	110.7	F219 Q220 V226 R227 L261 W263	F219-V223 HydrophobicContact CD1-CG2 3.74Å; F219-V223 HydrophobicContact CE1-CG2 3.47Å; F219-V223 VanDerWaalsContact CE1-CG2 3.47Å; F219-V223 HydrophobicContact CZ-CG2 4.32Å; F219-V223 WeakPolarHBondContact O-CG2 3.5Å; F219-V223 PolarHBondContact O-N 2.81Å; Q220-V223 PolarHBondContact O-N 3.32Å; V223-V226 PolarHBondContact O-N 2.76Å; V223-R227 HydrophobicContact CG1-CG 4.37Å; V223-R227 WeakPolarHBondContact O-CB 3.39Å; V223-R227 VanDerWaalsContact O-CG 3.3Å; V223-R227 WeakPolarHBondContact O-CG 3.42Å; V223-R227 PolarHBondContact O-N 3.31Å; V223-L261 HydrophobicContact CG1-CD2 3.94Å; V223-L261 HydrophobicContact CG2-CD2 4.27Å; V223-W263 HydrophobicContact CB-CZ2 4.36Å; V223-W263 HydrophobicContact CG2-CH2 3.63Å; V223-W263 HydrophobicContact CG2-CZ2 3.61Å
224	A	94.8	Very high	92.9	Very high	36 Å²	36	52.6 Å²	52.6	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.7	0	0	0	0	0	111.5	F194 Q220 A221 C222 V226 R227 Y228	F194-A224 HydrophobicContact CE1-CB 4.02Å; F194-A224 HydrophobicContact CZ-CB 4.37Å; Q220-A224 WeakPolarHBondContact O-CB 3.3Å; Q220-A224 PolarHBondContact O-N 2.83Å; A221-A224 PolarHBondContact O-N 2.84Å; C222-A224 VanDerWaalsContact C-N 3.34Å; C222-A224 PolarHBondContact O-N 3.16Å; A224-V226 PolarHBondContact O-N 2.74Å; A224-R227 PolarHBondContact O-N 2.89Å; A224-Y228 PolarHBondContact O-N 3.07Å; A224-Y228 VanDerWaalsContact O-N 3.09Å
225	W	96.3	Very high	93.1	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-41.9	177.2	-176.4	93	0	0	0	112.6	F193 L196 Q198 L201 A221 C222 Y228 R233 L240	F193-W225 HydrophobicContact CE1-CB 4.06Å; L196-W225 WeakPolarHBondContact O-CZ2 3.34Å; L196-W225 PolarHBondContact O-NE1 3.45Å; L196-W225 VanDerWaalsContact O-NE1 3.11Å; Q198-W225 HydrophobicContact CB-CH2 4.19Å; L201-W225 HydrophobicContact CD2-CB 3.95Å; L201-W225 HydrophobicContact CD2-CD2 3.39Å; L201-W225 HydrophobicContact CD2-CE3 3.69Å; L201-W225 HydrophobicContact CD2-CG 3.5Å; L201-W225 VanDerWaalsContact CD2-CG 3.5Å; L201-W225 HydrophobicContact CD2-CZ3 4.37Å; A221-W225 WeakPolarHBondContact O-CB 3.49Å; A221-W225 PolarHBondContact O-N 3.14Å; C222-W225 PolarHBondContact O-N 3.12Å; W225-Y228 PolarHBondContact O-N 3.24Å; W225-R233 HydrophobicContact CE3-CB 4.26Å; W225-R233 HydrophobicContact CE3-CG 4.23Å; W225-R233 HydrophobicContact CH2-CB 4.1Å; W225-R233 HydrophobicContact CH2-CG 3.58Å; W225-R233 HydrophobicContact CZ2-CG 4.16Å; W225-R233 HydrophobicContact CZ3-CB 3.66Å; W225-R233 HydrophobicContact CZ3-CG 3.63Å; W225-R233 WeakPolarHBondContact O-CD 3.49Å; W225-R233 PolarHBondContact O-NH1 2.97Å; W225-L240 HydrophobicContact CE3-CD1 3.94Å; W225-L240 HydrophobicContact CZ3-CD1 4Å
226	V	94.1	Very high	93.1	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-39.7	175.7	175.1	0	0	0	0	111.2	C222 V223 A224 Y228 D229 Q230 R233 V237 L240	C222-V226 WeakPolarHBondContact O-CG2 3.39Å; C222-V226 PolarHBondContact O-N 3.03Å; V223-V226 PolarHBondContact O-N 2.76Å; A224-V226 PolarHBondContact O-N 2.74Å; V226-Y228 PolarHBondContact O-N 2.98Å; V226-D229 CarbonylContact O-C 3.47Å; V226-D229 PolarHBondContact O-N 3.08Å; V226-Q230 WeakPolarHBondContact O-CA 3.44Å; V226-Q230 PolarHBondContact O-N 3.28Å; V226-R233 HydrophobicContact CG1-CB 4.42Å; V226-V237 HydrophobicContact CG1-CG2 3.96Å; V226-V237 HydrophobicContact CG2-CG2 3.99Å; V226-L240 HydrophobicContact CG2-CD1 3.72Å
227	R	92.9	Very high	93.1	Very high	145 Å²	145	58.1 Å²	58.1	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-27.6	179.2	-78.2	178.6	179.7	175.2	2	113.5	V223 A224	V223-R227 HydrophobicContact CG1-CG 4.37Å; V223-R227 WeakPolarHBondContact O-CB 3.39Å; V223-R227 VanDerWaalsContact O-CG 3.3Å; V223-R227 WeakPolarHBondContact O-CG 3.42Å; V223-R227 PolarHBondContact O-N 3.31Å; A224-R227 PolarHBondContact O-N 2.89Å
228	Y	94.4	Very high	93	Very high	128 Å²	128	61.5 Å²	61.5	50%	0.502	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-36.4	178.9	-172.1	-94.5	0	0	0	113.1	F194 A224 W225 V226	F194-Y228 HydrophobicContact CB-CD1 3.97Å; F194-Y228 HydrophobicContact CB-CD2 4.03Å; F194-Y228 HydrophobicContact CB-CE1 4.07Å; F194-Y228 HydrophobicContact CB-CE2 4.15Å; F194-Y228 HydrophobicContact CB-CG 3.93Å; F194-Y228 AromaticContact CD1-CD2 3.94Å; F194-Y228 HydrophobicContact CD1-CD2 3.94Å; F194-Y228 AromaticContact CD1-CG 3.87Å; F194-Y228 HydrophobicContact CD1-CG 3.87Å; F194-Y228 HydrophobicContact CD2-CD2 4.49Å; F194-Y228 AromaticContact CG-CD2 3.89Å; F194-Y228 HydrophobicContact CG-CD2 3.89Å; F194-Y228 HydrophobicContact CG-CE2 4.28Å; F194-Y228 HydrophobicContact CG-CG 4.05Å; A224-Y228 PolarHBondContact O-N 3.07Å; A224-Y228 VanDerWaalsContact O-N 3.09Å; W225-Y228 PolarHBondContact O-N 3.24Å; V226-Y228 PolarHBondContact O-N 2.98Å
229	D	92.6	Very high	92.8	Very high	49 Å²	49	63 Å²	63	26%	0.262	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	77.3	175.9	176.1	8.2	0	0	0	109.5	V226 E231 N232 R233	V226-D229 CarbonylContact O-C 3.47Å; V226-D229 PolarHBondContact O-N 3.08Å; D229-E231 VanDerWaalsContact C-N 3.31Å; D229-E231 PolarHBondContact O-N 3.49Å; D229-N232 PolarHBondContact OD1-N 3Å; D229-N232 PolarHBondContact OD1-ND2 2.73Å; D229-N232 WeakPolarHBondContact OD2-CB 3.47Å; D229-N232 PolarHBondContact OD2-ND2 3.43Å; D229-R233 HydrophobicContact CB-CG 4.2Å; D229-R233 WeakPolarHBondContact O-CB 3.4Å; D229-R233 WeakPolarHBondContact O-CG 3.49Å; D229-R233 PolarHBondContact O-N 2.95Å; D229-R233 VanDerWaalsContact O-N 3.07Å
230	Q	89.2	Confident	92.8	Very high	89 Å²	89	63.1 Å²	63.1	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-35.9	-171.5	-66.9	-173.2	26.8	0	0	113	V226 R234	V226-Q230 WeakPolarHBondContact O-CA 3.44Å; V226-Q230 PolarHBondContact O-N 3.28Å; Q230-R234 WeakPolarHBondContact O-CB 3.37Å; Q230-R234 WeakPolarHBondContact O-CD 3.45Å; Q230-R234 WeakPolarHBondContact O-CG 3.34Å; Q230-R234 PolarHBondContact O-N 3.02Å
231	E	87.9	Confident	92.6	Very high	175 Å²	175	58.3 Å²	58.3	82%	0.818	28%	0.28	S	S	*	.	H	α-helix	trans	-66.7	-45.1	-173.9	-63.8	-170.2	166.3	0	0	111.1	D229	D229-E231 VanDerWaalsContact C-N 3.31Å; D229-E231 PolarHBondContact O-N 3.49Å
232	N	91.9	Very high	92.4	Very high	104 Å²	104	63.9 Å²	63.9	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-87.6	-21.9	-177.7	-57.4	-57	0	0	0	113.3	D229 Y236	D229-N232 PolarHBondContact OD1-N 3Å; D229-N232 PolarHBondContact OD1-ND2 2.73Å; D229-N232 WeakPolarHBondContact OD2-CB 3.47Å; D229-N232 PolarHBondContact OD2-ND2 3.43Å; N232-Y236 WeakPolarHBondContact O-CE2 3.34Å
233	R	93.4	Very high	92.2	Very high	27 Å²	27	64.3 Å²	64.3	10%	0.102	31%	0.309	C	S	.	.	H	α-helix	trans	-98.3	-17.3	-170.8	-62	175.9	179.4	-174.1	-0.7	115.2	F194 W225 V226 D229 P235 Y236	F194-R233 PolarHBondContact O-NH1 2.99Å; F194-R233 VanDerWaalsContact O-NH1 3.16Å; F194-R233 PolarHBondContact O-NH2 3.15Å; W225-R233 HydrophobicContact CE3-CB 4.26Å; W225-R233 HydrophobicContact CE3-CG 4.23Å; W225-R233 HydrophobicContact CH2-CB 4.1Å; W225-R233 HydrophobicContact CH2-CG 3.58Å; W225-R233 HydrophobicContact CZ2-CG 4.16Å; W225-R233 HydrophobicContact CZ3-CB 3.66Å; W225-R233 HydrophobicContact CZ3-CG 3.63Å; W225-R233 WeakPolarHBondContact O-CD 3.49Å; W225-R233 PolarHBondContact O-NH1 2.97Å; V226-R233 HydrophobicContact CG1-CB 4.42Å; D229-R233 HydrophobicContact CB-CG 4.2Å; D229-R233 WeakPolarHBondContact O-CB 3.4Å; D229-R233 WeakPolarHBondContact O-CG 3.49Å; D229-R233 PolarHBondContact O-N 2.95Å; D229-R233 VanDerWaalsContact O-N 3.07Å; R233-P235 VanDerWaalsContact C-CD 3.42Å; R233-Y236 PolarHBondContact O-N 3.39Å; R233-Y236 VanDerWaalsContact O-N 3.1Å
234	R	89.1	Confident	92.2	Very high	100 Å²	100	64.1 Å²	64.1	38%	0.377	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-50.1	-44.9	177	-88.7	171.8	-171.8	-153	1.2	114.4	Q230 Y236 V237	Q230-R234 WeakPolarHBondContact O-CB 3.37Å; Q230-R234 WeakPolarHBondContact O-CD 3.45Å; Q230-R234 WeakPolarHBondContact O-CG 3.34Å; Q230-R234 PolarHBondContact O-N 3.02Å; R234-Y236 PolarHBondContact O-N 2.81Å; R234-V237 VanDerWaalsContact O-CG2 3.27Å; R234-V237 WeakPolarHBondContact O-CG2 3.41Å; R234-V237 PolarHBondContact O-N 3.22Å
235	P	90.6	Very high	92	Very high	93 Å²	93	63.6 Å²	63.6	60%	0.604	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-60.5	-19	-178.7	-25	35.5	0	0	0	114.4	R233	R233-P235 VanDerWaalsContact C-CD 3.42Å
236	Y	91.5	Very high	91.8	Very high	108 Å²	108	63.4 Å²	63.4	42%	0.424	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-97.2	-3.9	-174.6	-54.9	-60.7	0	0	0	114.2	Q198 N232 R233 R234 Q238 A239 L240	Q198-Y236 HydrophobicContact CB-CD1 4.38Å; Q198-Y236 HydrophobicContact CB-CD2 4.25Å; Q198-Y236 HydrophobicContact CB-CG 4.14Å; Q198-Y236 HydrophobicContact CG-CD1 3.71Å; Q198-Y236 HydrophobicContact CG-CD2 4.22Å; Q198-Y236 HydrophobicContact CG-CE1 4.4Å; Q198-Y236 HydrophobicContact CG-CG 3.6Å; N232-Y236 WeakPolarHBondContact O-CE2 3.34Å; R233-Y236 PolarHBondContact O-N 3.39Å; R233-Y236 VanDerWaalsContact O-N 3.1Å; R234-Y236 PolarHBondContact O-N 2.81Å; Y236-Q238 VanDerWaalsContact C-N 3.25Å; Y236-Q238 PolarHBondContact O-N 2.76Å; Y236-A239 PolarHBondContact O-N 2.63Å; Y236-A239 VanDerWaalsContact O-N 3.12Å; Y236-L240 PolarHBondContact O-N 3.06Å; Y236-L240 VanDerWaalsContact O-N 3.11Å
237	V	91.9	Very high	91.6	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-55.4	-42.2	-178.2	173.4	0	0	0	0	111.2	V226 R234 A239 L240 L241 W263 C267	V226-V237 HydrophobicContact CG1-CG2 3.96Å; V226-V237 HydrophobicContact CG2-CG2 3.99Å; R234-V237 VanDerWaalsContact O-CG2 3.27Å; R234-V237 WeakPolarHBondContact O-CG2 3.41Å; R234-V237 PolarHBondContact O-N 3.22Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.84Å; V237-L240 WeakPolarHBondContact O-CB 3.11Å; V237-L240 PolarHBondContact O-N 3.18Å; V237-L241 HydrophobicContact CG1-CD1 4.01Å; V237-L241 HydrophobicContact CG1-CG 4.21Å; V237-L241 WeakPolarHBondContact O-CG 3.38Å; V237-L241 PolarHBondContact O-N 3.44Å; V237-W263 HydrophobicContact CG1-CD2 3.71Å; V237-W263 HydrophobicContact CG1-CE3 3.69Å; V237-W263 HydrophobicContact CG1-CG 4.21Å; V237-W263 HydrophobicContact CG1-CH2 4.26Å; V237-W263 HydrophobicContact CG1-CZ2 4.28Å; V237-W263 HydrophobicContact CG1-CZ3 3.99Å; V237-C267 HydrophobicContact CG1-CB 4.24Å
238	Q	91.2	Very high	91.4	Very high	95 Å²	95	62.4 Å²	62.4	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-43.5	179.6	-172	178.8	12.5	0	0	112.3	Y236 L240 L241 Q242	Y236-Q238 VanDerWaalsContact C-N 3.25Å; Y236-Q238 PolarHBondContact O-N 2.76Å; Q238-L240 VanDerWaalsContact C-N 3.34Å; Q238-L241 PolarHBondContact O-N 3.22Å; Q238-Q242 WeakPolarHBondContact O-CG 2.98Å; Q238-Q242 PolarHBondContact O-N 3.17Å; Q238-Q242 VanDerWaalsContact O-N 3.13Å
239	A	92	Very high	91.2	Very high	31 Å²	31	56.6 Å²	56.6	26%	0.256	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-37.6	177.9	0	0	0	0	0	111.7	Y236 V237 Q242 A243	Y236-A239 PolarHBondContact O-N 2.63Å; Y236-A239 VanDerWaalsContact O-N 3.12Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.84Å; A239-Q242 PolarHBondContact O-N 2.99Å; A239-A243 PolarHBondContact O-N 3.16Å
240	L	93.6	Very high	91.2	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-44.1	174.8	-64.6	171.8	0	0	0	111.3	L201 V202 I205 W225 V226 Y236 V237 Q238 Q242 A243 V244	L201-L240 HydrophobicContact CD2-CD1 4.4Å; L201-L240 HydrophobicContact CD2-CD2 3.64Å; L201-L240 HydrophobicContact CG-CD2 3.87Å; V202-L240 HydrophobicContact CG2-CD2 3.79Å; I205-L240 HydrophobicContact CD1-CD2 3.82Å; W225-L240 HydrophobicContact CE3-CD1 3.94Å; W225-L240 HydrophobicContact CZ3-CD1 4Å; V226-L240 HydrophobicContact CG2-CD1 3.72Å; Y236-L240 PolarHBondContact O-N 3.06Å; Y236-L240 VanDerWaalsContact O-N 3.11Å; V237-L240 WeakPolarHBondContact O-CB 3.11Å; V237-L240 PolarHBondContact O-N 3.18Å; Q238-L240 VanDerWaalsContact C-N 3.34Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 2.89Å; L240-A243 WeakPolarHBondContact O-CB 3.32Å; L240-A243 PolarHBondContact O-N 3.26Å; L240-A243 VanDerWaalsContact O-N 3.08Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 3.33Å
241	L	92.2	Very high	91.3	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-27.1	179.4	-71	-177.8	0	0	0	114.2	F219 V237 Q238 V244 C246 W263 C267 Y270 L271	F219-L241 HydrophobicContact CD2-CD2 4.1Å; F219-L241 HydrophobicContact CE2-CD2 3.48Å; F219-L241 VanDerWaalsContact CE2-CD2 3.48Å; F219-L241 HydrophobicContact CZ-CD2 4.26Å; V237-L241 HydrophobicContact CG1-CD1 4.01Å; V237-L241 HydrophobicContact CG1-CG 4.21Å; V237-L241 WeakPolarHBondContact O-CG 3.38Å; V237-L241 PolarHBondContact O-N 3.44Å; Q238-L241 PolarHBondContact O-N 3.22Å; L241-V244 VanDerWaalsContact O-O 3.12Å; L241-C246 PolarHBondContact O-SG 2.9Å; L241-W263 HydrophobicContact CD1-CE3 4.2Å; L241-W263 HydrophobicContact CD1-CZ3 3.93Å; L241-W263 HydrophobicContact CD2-CH2 4.28Å; L241-W263 HydrophobicContact CD2-CZ3 3.85Å; L241-W263 HydrophobicContact CG-CZ3 4.23Å; L241-C267 HydrophobicContact CD1-CB 3.84Å; L241-Y270 HydrophobicContact CB-CD1 4.14Å; L241-Y270 HydrophobicContact CB-CE1 3.96Å; L241-Y270 HydrophobicContact CD1-CD1 4.37Å; L241-L271 HydrophobicContact CD1-CD1 4.31Å; L241-L271 HydrophobicContact CD1-CD2 4.42Å; L241-L271 HydrophobicContact CD1-CG 4.21Å; L241-L271 HydrophobicContact CD2-CD2 4.23Å
242	Q	90.7	Very high	91.5	Very high	125 Å²	125	48.6 Å²	48.6	58%	0.584	25%	0.25	S	S	*	.	H	α-helix	trans	-75.9	-29.4	172.4	-72.3	176.3	-12.2	0	0	112.3	Q238 A239 L240	Q238-Q242 WeakPolarHBondContact O-CG 2.98Å; Q238-Q242 PolarHBondContact O-N 3.17Å; Q238-Q242 VanDerWaalsContact O-N 3.13Å; A239-Q242 PolarHBondContact O-N 2.99Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 2.89Å
243	A	92.1	Very high	91.5	Very high	15 Å²	15	45 Å²	45	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-81.5	-31.3	177.2	0	0	0	0	0	112.6	V202 I205 S206 A239 L240	V202-A243 HydrophobicContact CG1-CB 4.05Å; I205-A243 HydrophobicContact CD1-CB 3.73Å; I205-A243 HydrophobicContact CG1-CB 3.69Å; S206-A243 WeakPolarHBondContact OG-CB 3.32Å; A239-A243 PolarHBondContact O-N 3.16Å; L240-A243 WeakPolarHBondContact O-CB 3.32Å; L240-A243 PolarHBondContact O-N 3.26Å; L240-A243 VanDerWaalsContact O-N 3.08Å
244	V	93.3	Very high	91.5	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	136.9	169	177.8	0	0	0	0	109.5	I205 E215 V218 F219 L240 L241 C246	I205-V244 HydrophobicContact CD1-CG2 4.17Å; E215-V244 HydrophobicContact CG-CG1 4.03Å; V218-V244 HydrophobicContact CG1-CG2 4.23Å; F219-V244 HydrophobicContact CB-CG1 4.19Å; F219-V244 HydrophobicContact CD2-CG1 4.19Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 3.33Å; L241-V244 VanDerWaalsContact O-O 3.12Å; V244-C246 PolarHBondContact O-N 3.45Å
245	R	91.6	Very high	91.7	Very high	25 Å²	25	43.4 Å²	43.4	9%	0.094	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	65.9	-179.8	-59.5	172.6	177.2	-173.8	-7.9	110.5	D208 E215 H247 S248 V287 P288 C289 R290	D208-R245 IonicContact OD1-CZ 3.11Å; D208-R245 IonicContact OD1-NH2 3.55Å; D208-R245 PolarHBondContact OD1-NH2 3.49Å; D208-R245 IonicContact OD2-NH2 3.44Å; E215-R245 HydrophobicContact CG-CB 3.99Å; E215-R245 PolarHBondContact OE1-N 2.79Å; R245-H247 PolarHBondContact O-N 3.27Å; R245-S248 WeakPolarHBondContact O-CA 3.4Å; R245-S248 VanDerWaalsContact O-CB 3.32Å; R245-S248 WeakPolarHBondContact O-CB 3.32Å; R245-S248 PolarHBondContact O-N 3Å; R245-V287 HydrophobicContact CB-CG1 4.15Å; R245-V287 HydrophobicContact CG-CG1 3.97Å; R245-P288 PolarHBondContact NH1-O 2.86Å; R245-P288 PolarHBondContact NH2-O 3.35Å; R245-C289 PolarHBondContact NH1-O 2.75Å; R245-C289 VanDerWaalsContact NH1-O 3.12Å; R245-R290 VanDerWaalsContact NH1-CD 3.31Å; R245-R290 VanDerWaalsContact NH1-CG 3.27Å
246	C	91	Very high	91.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-56	-26.3	-170.8	-68.2	0	0	0	0	114.4	L241 V244 S248 L249 I274	L241-C246 PolarHBondContact O-SG 2.9Å; V244-C246 PolarHBondContact O-N 3.45Å; C246-S248 PolarHBondContact O-N 2.72Å; C246-L249 HydrophobicContact CB-CD1 4.25Å; C246-L249 VanDerWaalsContact O-CB 3.31Å; C246-L249 WeakPolarHBondContact O-CB 3.29Å; C246-L249 PolarHBondContact O-N 3.12Å; C246-L249 VanDerWaalsContact O-N 3.17Å; C246-I274 HydrophobicContact CB-CD1 3.38Å
247	H	89.9	Confident	91.7	Very high	62 Å²	62	37.3 Å²	37.3	29%	0.287	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-70.8	-13.3	173.9	-68.9	87.4	0	0	0	114.2	R245	R245-H247 PolarHBondContact O-N 3.27Å
248	S	88.8	Confident	91.6	Very high	66 Å²	66	39.1 Å²	39.1	46%	0.462	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-90.6	-0.6	172.3	-53.2	0	0	0	0	112.8	R245 C246	R245-S248 WeakPolarHBondContact O-CA 3.4Å; R245-S248 VanDerWaalsContact O-CB 3.32Å; R245-S248 WeakPolarHBondContact O-CB 3.32Å; R245-S248 PolarHBondContact O-N 3Å; C246-S248 PolarHBondContact O-N 2.72Å
249	L	91.5	Very high	91.5	Very high	6 Å²	6	42 Å²	42	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	-82.5	155.2	173.3	-61.1	171.1	0	0	0	110.8	E215 F219 C246 F253 L254 L278	E215-L249 HydrophobicContact CB-CD2 3.95Å; E215-L249 HydrophobicContact CG-CD2 4.19Å; F219-L249 HydrophobicContact CB-CD2 4.42Å; F219-L249 HydrophobicContact CD2-CD1 3.8Å; F219-L249 HydrophobicContact CE2-CD1 4.37Å; F219-L249 HydrophobicContact CG-CD1 4.34Å; C246-L249 HydrophobicContact CB-CD1 4.25Å; C246-L249 VanDerWaalsContact O-CB 3.31Å; C246-L249 WeakPolarHBondContact O-CB 3.29Å; C246-L249 PolarHBondContact O-N 3.12Å; C246-L249 VanDerWaalsContact O-N 3.17Å; L249-F253 HydrophobicContact CB-CD1 4.33Å; L249-F253 HydrophobicContact CD1-CD1 4.22Å; L249-F253 HydrophobicContact CD1-CE1 4.19Å; L249-F253 HydrophobicContact CD2-CD1 3.97Å; L249-F253 HydrophobicContact CD2-CE1 3.98Å; L249-F253 HydrophobicContact CG-CD1 4.41Å; L249-L254 HydrophobicContact CB-CD1 4.42Å; L249-L254 HydrophobicContact CB-CD2 4.18Å; L249-L254 HydrophobicContact CB-CG 4.06Å; L249-L254 HydrophobicContact CD1-CD2 3.69Å; L249-L254 HydrophobicContact CD1-CG 4.47Å; L249-L278 WeakPolarHBondContact O-CD1 3.39Å
250	T	91.5	Very high	91.2	Very high	40 Å²	40	43.9 Å²	43.9	25%	0.245	24%	0.237	C	C	.	.			trans	-81.5	146.3	175.9	72.1	0	0	0	0	110.5	N252 F253 L254 D392	T250-N252 VanDerWaalsContact C-N 3.27Å; T250-N252 PolarHBondContact O-N 2.89Å; T250-F253 WeakPolarHBondContact O-CB 3.38Å; T250-F253 PolarHBondContact O-N 3.43Å; T250-F253 VanDerWaalsContact O-N 3.11Å; T250-F253 VanDerWaalsContact OG1-CB 3.27Å; T250-F253 WeakPolarHBondContact OG1-CB 3.41Å; T250-F253 PolarHBondContact OG1-N 3.36Å; T250-L254 PolarHBondContact O-N 2.65Å; T250-D392 HydrophobicContact CG2-CB 3.69Å; T250-D392 WeakPolarHBondContact CG2-OD1 3.33Å
251	P	92.7	Very high	90.8	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-37.7	175.2	-32.1	40.5	0	0	0	113.5	F253 L254 Q255 F275 L278 T279 R440	P251-F253 VanDerWaalsContact C-N 3.31Å; P251-F253 PolarHBondContact O-N 2.76Å; P251-L254 PolarHBondContact O-N 3.42Å; P251-Q255 WeakPolarHBondContact O-CB 3.48Å; P251-Q255 PolarHBondContact O-N 2.82Å; P251-F275 HydrophobicContact CB-CD2 3.83Å; P251-F275 HydrophobicContact CB-CE2 3.68Å; P251-F275 WeakPolarHBondContact O-CE2 3.47Å; P251-L278 HydrophobicContact CG-CB 3.94Å; P251-L278 HydrophobicContact CG-CD1 4.32Å; P251-T279 HydrophobicContact CB-CG2 4.14Å; P251-T279 HydrophobicContact CG-CG2 4.4Å; P251-R440 VanDerWaalsContact CD-NH2 3.33Å; P251-R440 VanDerWaalsContact CG-NH2 3.29Å
252	N	91.2	Very high	90.3	Very high	104 Å²	104	49.7 Å²	49.7	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-59.5	-43.2	175.1	-71	-16.8	0	0	0	111.6	T250 A256	T250-N252 VanDerWaalsContact C-N 3.27Å; T250-N252 PolarHBondContact O-N 2.89Å; N252-A256 PolarHBondContact O-N 3.49Å; N252-A256 VanDerWaalsContact O-N 3.12Å
253	F	92.4	Very high	90	Very high	30 Å²	30	45.2 Å²	45.2	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-49.1	176.1	180	-94.5	0	0	0	111.1	F219 Q220 L249 T250 P251 Q255 A256 Q257	F219-F253 HydrophobicContact CB-CE1 4.22Å; F219-F253 HydrophobicContact CB-CZ 4.38Å; F219-F253 AromaticContact CD1-CE1 3.68Å; F219-F253 HydrophobicContact CD1-CE1 3.68Å; F219-F253 AromaticContact CD1-CZ 3.71Å; F219-F253 HydrophobicContact CD1-CZ 3.71Å; F219-F253 HydrophobicContact CE1-CE1 4.14Å; F219-F253 HydrophobicContact CE1-CZ 4.33Å; F219-F253 AromaticContact CG-CE1 3.89Å; F219-F253 HydrophobicContact CG-CE1 3.89Å; F219-F253 HydrophobicContact CG-CZ 4.23Å; Q220-F253 HydrophobicContact CG-CE2 4.49Å; Q220-F253 HydrophobicContact CG-CZ 4.28Å; L249-F253 HydrophobicContact CB-CD1 4.33Å; L249-F253 HydrophobicContact CD1-CD1 4.22Å; L249-F253 HydrophobicContact CD1-CE1 4.19Å; L249-F253 HydrophobicContact CD2-CD1 3.97Å; L249-F253 HydrophobicContact CD2-CE1 3.98Å; L249-F253 HydrophobicContact CG-CD1 4.41Å; T250-F253 WeakPolarHBondContact O-CB 3.38Å; T250-F253 PolarHBondContact O-N 3.43Å; T250-F253 VanDerWaalsContact O-N 3.11Å; T250-F253 VanDerWaalsContact OG1-CB 3.27Å; T250-F253 WeakPolarHBondContact OG1-CB 3.41Å; T250-F253 PolarHBondContact OG1-N 3.36Å; P251-F253 VanDerWaalsContact C-N 3.31Å; P251-F253 PolarHBondContact O-N 2.76Å; F253-Q255 VanDerWaalsContact C-N 3.32Å; F253-Q255 PolarHBondContact O-N 3.26Å; F253-A256 PolarHBondContact O-N 2.86Å; F253-Q257 HydrophobicContact CD1-CG 3.95Å; F253-Q257 HydrophobicContact CE1-CG 3.55Å; F253-Q257 HydrophobicContact CE2-CG 4.28Å; F253-Q257 HydrophobicContact CG-CG 4.47Å; F253-Q257 HydrophobicContact CZ-CG 3.73Å; F253-Q257 WeakPolarHBondContact O-CG 3.48Å; F253-Q257 PolarHBondContact O-N 2.71Å
254	L	93	Very high	89.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-43.1	178.4	-71.8	173.8	0	0	0	112.1	L249 T250 P251 A256 Q257 L258 L271 I274 F275 L278	L249-L254 HydrophobicContact CB-CD1 4.42Å; L249-L254 HydrophobicContact CB-CD2 4.18Å; L249-L254 HydrophobicContact CB-CG 4.06Å; L249-L254 HydrophobicContact CD1-CD2 3.69Å; L249-L254 HydrophobicContact CD1-CG 4.47Å; T250-L254 PolarHBondContact O-N 2.65Å; P251-L254 PolarHBondContact O-N 3.42Å; L254-A256 PolarHBondContact O-N 3.24Å; L254-Q257 PolarHBondContact O-N 2.86Å; L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 2.85Å; L254-L271 HydrophobicContact CD2-CD2 4.03Å; L254-I274 HydrophobicContact CD1-CG2 3.97Å; L254-F275 HydrophobicContact CB-CB 4.41Å; L254-F275 HydrophobicContact CB-CD2 4.2Å; L254-F275 HydrophobicContact CD1-CB 4.27Å; L254-L278 HydrophobicContact CD1-CD1 3.73Å
255	Q	92.1	Very high	89.5	Confident	92 Å²	92	52.6 Å²	52.6	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-45.5	176.9	-172.4	179.7	25.9	0	0	111.6	P251 F253 Q257 L258 Q259 F275	P251-Q255 WeakPolarHBondContact O-CB 3.48Å; P251-Q255 PolarHBondContact O-N 2.82Å; F253-Q255 VanDerWaalsContact C-N 3.32Å; F253-Q255 PolarHBondContact O-N 3.26Å; Q255-Q257 VanDerWaalsContact C-N 3.32Å; Q255-Q257 PolarHBondContact O-N 3.43Å; Q255-L258 PolarHBondContact O-N 2.73Å; Q255-Q259 WeakPolarHBondContact O-CG 3.17Å; Q255-Q259 PolarHBondContact O-N 3.05Å; Q255-F275 HydrophobicContact CB-CE2 4.04Å
256	A	92	Very high	89.4	Confident	47 Å²	47	57.9 Å²	57.9	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-37.3	176.3	0	0	0	0	0	112.3	N252 F253 L254 S260	N252-A256 PolarHBondContact O-N 3.49Å; N252-A256 VanDerWaalsContact O-N 3.12Å; F253-A256 PolarHBondContact O-N 2.86Å; L254-A256 PolarHBondContact O-N 3.24Å; A256-S260 WeakPolarHBondContact O-CB 3.49Å; A256-S260 PolarHBondContact O-N 3.49Å; A256-S260 PolarHBondContact O-OG 2.83Å
257	Q	91.8	Very high	89.3	Confident	27 Å²	27	58 Å²	58	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-70.3	-41.1	177	-66.2	-46.3	-60.4	0	0	112.3	F219 F253 L254 Q255 Q259 S260 L261	F219-Q257 HydrophobicContact CD1-CG 4.37Å; F219-Q257 HydrophobicContact CE1-CB 4.26Å; F219-Q257 HydrophobicContact CE1-CG 3.68Å; F219-Q257 HydrophobicContact CZ-CB 4.3Å; F219-Q257 HydrophobicContact CZ-CG 4.15Å; F253-Q257 HydrophobicContact CD1-CG 3.95Å; F253-Q257 HydrophobicContact CE1-CG 3.55Å; F253-Q257 HydrophobicContact CE2-CG 4.28Å; F253-Q257 HydrophobicContact CG-CG 4.47Å; F253-Q257 HydrophobicContact CZ-CG 3.73Å; F253-Q257 WeakPolarHBondContact O-CG 3.48Å; F253-Q257 PolarHBondContact O-N 2.71Å; L254-Q257 PolarHBondContact O-N 2.86Å; Q255-Q257 VanDerWaalsContact C-N 3.32Å; Q255-Q257 PolarHBondContact O-N 3.43Å; Q257-Q259 PolarHBondContact O-N 3.1Å; Q257-S260 PolarHBondContact O-N 3.12Å; Q257-S260 VanDerWaalsContact O-N 3.16Å; Q257-S260 PolarHBondContact O-OG 2.84Å; Q257-L261 HydrophobicContact CB-CD1 3.82Å; Q257-L261 HydrophobicContact CB-CG 4.49Å; Q257-L261 HydrophobicContact CG-CD1 4.45Å; Q257-L261 WeakPolarHBondContact O-CB 3.39Å; Q257-L261 WeakPolarHBondContact O-CG 3.28Å; Q257-L261 PolarHBondContact O-N 2.9Å
258	L	89.9	Confident	89.4	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-30.9	176.6	-77	168.4	0	0	0	112.7	L254 Q255 K268 L271 A272	L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 2.85Å; Q255-L258 PolarHBondContact O-N 2.73Å; L258-K268 HydrophobicContact CD2-CB 4.25Å; L258-K268 WeakPolarHBondContact CD2-O 3.26Å; L258-L271 HydrophobicContact CD2-CB 3.83Å; L258-L271 HydrophobicContact CG-CB 4.37Å; L258-A272 HydrophobicContact CD1-CB 4.38Å; L258-A272 HydrophobicContact CD2-CB 4.48Å
259	Q	88.1	Confident	89.5	Confident	155 Å²	155	60.2 Å²	60.2	72%	0.724	32%	0.32	S	S	*	.	H	α-helix	trans	-80.6	-31.8	176.3	-68.6	175.3	2.1	0	0	113.7	Q255 Q257	Q255-Q259 WeakPolarHBondContact O-CG 3.17Å; Q255-Q259 PolarHBondContact O-N 3.05Å; Q257-Q259 PolarHBondContact O-N 3.1Å
260	S	86.8	Confident	89.6	Confident	70 Å²	70	63.4 Å²	63.4	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-98.5	-24.4	-170.4	57.3	0	0	0	0	114.6	A256 Q257	A256-S260 WeakPolarHBondContact O-CB 3.49Å; A256-S260 PolarHBondContact O-N 3.49Å; A256-S260 PolarHBondContact O-OG 2.83Å; Q257-S260 PolarHBondContact O-N 3.12Å; Q257-S260 VanDerWaalsContact O-N 3.16Å; Q257-S260 PolarHBondContact O-OG 2.84Å
261	L	83.8	Confident	89.6	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.042	32%	0.322	C	S	.	.			trans	-87.9	128.4	-174.9	-65.1	170.2	0	0	0	111.9	F219 V223 Q257 W263 K268	F219-L261 HydrophobicContact CE1-CD1 3.97Å; F219-L261 HydrophobicContact CZ-CD1 3.86Å; V223-L261 HydrophobicContact CG1-CD2 3.94Å; V223-L261 HydrophobicContact CG2-CD2 4.27Å; Q257-L261 HydrophobicContact CB-CD1 3.82Å; Q257-L261 HydrophobicContact CB-CG 4.49Å; Q257-L261 HydrophobicContact CG-CD1 4.45Å; Q257-L261 WeakPolarHBondContact O-CB 3.39Å; Q257-L261 WeakPolarHBondContact O-CG 3.28Å; Q257-L261 PolarHBondContact O-N 2.9Å; L261-W263 VanDerWaalsContact C-N 3.34Å; L261-W263 HydrophobicContact CB-CD2 4.05Å; L261-W263 HydrophobicContact CB-CE3 4.34Å; L261-W263 HydrophobicContact CB-CG 4.21Å; L261-W263 HydrophobicContact CD1-CD2 4.03Å; L261-W263 HydrophobicContact CD1-CE3 3.72Å; L261-W263 HydrophobicContact CD1-CH2 3.64Å; L261-W263 HydrophobicContact CD1-CZ2 3.96Å; L261-W263 HydrophobicContact CD1-CZ3 3.49Å; L261-W263 VanDerWaalsContact CD1-CZ3 3.49Å; L261-W263 HydrophobicContact CD2-CD2 4.48Å; L261-W263 HydrophobicContact CD2-CH2 4.48Å; L261-W263 HydrophobicContact CD2-CZ2 3.99Å; L261-W263 HydrophobicContact CG-CD2 4.43Å; L261-W263 PolarHBondContact O-N 2.88Å; L261-K268 WeakPolarHBondContact O-CE 3.45Å; L261-K268 PolarHBondContact O-NZ 2.96Å
262	D	82.6	Confident	89.7	Confident	122 Å²	122	63.5 Å²	63.5	65%	0.652	34%	0.337	S	S	*	.			trans	-94.8	65.2	170.9	-167.5	33	0	0	0	110.5
263	W	84	Confident	89.8	Confident	32 Å²	32	64 Å²	64	12%	0.121	34%	0.336	C	S	.	.			trans	-104.9	163.7	177.2	-68.1	-14.1	0	0	0	112	F219 V223 V237 L241 L261 C267 K268 L271	F219-W263 HydrophobicContact CE1-CH2 4.16Å; F219-W263 HydrophobicContact CE2-CH2 4.41Å; F219-W263 HydrophobicContact CE2-CZ3 4.33Å; F219-W263 AromaticContact CZ-CH2 3.75Å; F219-W263 HydrophobicContact CZ-CH2 3.75Å; F219-W263 AromaticContact CZ-CZ3 3.76Å; F219-W263 HydrophobicContact CZ-CZ3 3.76Å; V223-W263 HydrophobicContact CB-CZ2 4.36Å; V223-W263 HydrophobicContact CG2-CH2 3.63Å; V223-W263 HydrophobicContact CG2-CZ2 3.61Å; V237-W263 HydrophobicContact CG1-CD2 3.71Å; V237-W263 HydrophobicContact CG1-CE3 3.69Å; V237-W263 HydrophobicContact CG1-CG 4.21Å; V237-W263 HydrophobicContact CG1-CH2 4.26Å; V237-W263 HydrophobicContact CG1-CZ2 4.28Å; V237-W263 HydrophobicContact CG1-CZ3 3.99Å; L241-W263 HydrophobicContact CD1-CE3 4.2Å; L241-W263 HydrophobicContact CD1-CZ3 3.93Å; L241-W263 HydrophobicContact CD2-CH2 4.28Å; L241-W263 HydrophobicContact CD2-CZ3 3.85Å; L241-W263 HydrophobicContact CG-CZ3 4.23Å; L261-W263 VanDerWaalsContact C-N 3.34Å; L261-W263 HydrophobicContact CB-CD2 4.05Å; L261-W263 HydrophobicContact CB-CE3 4.34Å; L261-W263 HydrophobicContact CB-CG 4.21Å; L261-W263 HydrophobicContact CD1-CD2 4.03Å; L261-W263 HydrophobicContact CD1-CE3 3.72Å; L261-W263 HydrophobicContact CD1-CH2 3.64Å; L261-W263 HydrophobicContact CD1-CZ2 3.96Å; L261-W263 HydrophobicContact CD1-CZ3 3.49Å; L261-W263 VanDerWaalsContact CD1-CZ3 3.49Å; L261-W263 HydrophobicContact CD2-CD2 4.48Å; L261-W263 HydrophobicContact CD2-CH2 4.48Å; L261-W263 HydrophobicContact CD2-CZ2 3.99Å; L261-W263 HydrophobicContact CG-CD2 4.43Å; L261-W263 PolarHBondContact O-N 2.88Å; W263-C267 HydrophobicContact CB-CB 4.33Å; W263-K268 VanDerWaalsContact O-CE 3.29Å; W263-K268 WeakPolarHBondContact O-CE 3.49Å; W263-L271 HydrophobicContact CE3-CD1 4.49Å; W263-L271 HydrophobicContact CZ3-CD1 4.21Å
264	D	86	Confident	89.8	Confident	81 Å²	81	62.8 Å²	62.8	43%	0.433	33%	0.331	S	S	.	.			trans	-53.3	144	179.3	-65.5	-29.3	0	0	0	111.7	Q266 C267 K268	D264-Q266 PolarHBondContact O-N 3.13Å; D264-Q266 VanDerWaalsContact O-N 3.12Å; D264-C267 WeakPolarHBondContact O-CB 3.42Å; D264-C267 PolarHBondContact O-N 2.75Å; D264-K268 PolarHBondContact O-N 3.23Å
265	P	88.1	Confident	89.8	Confident	92 Å²	92	65.5 Å²	65.5	60%	0.597	34%	0.343	S	S	*	.	H	α-helix	trans	-51.6	-39.4	-177.9	-29.3	35.3	0	0	0	113.7	C267 K268 D269	P265-C267 VanDerWaalsContact C-N 3.3Å; P265-C267 PolarHBondContact O-N 3.44Å; P265-K268 WeakPolarHBondContact O-CB 3.36Å; P265-K268 PolarHBondContact O-N 3.23Å; P265-K268 VanDerWaalsContact O-N 3.1Å; P265-D269 VanDerWaalsContact O-CG 3.23Å; P265-D269 PolarHBondContact O-N 2.8Å
266	Q	89.4	Confident	89.9	Confident	136 Å²	136	66.3 Å²	66.3	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-60.7	-36.9	179.1	-64.6	-179.6	-0.8	0	0	113	D264 Y270	D264-Q266 PolarHBondContact O-N 3.13Å; D264-Q266 VanDerWaalsContact O-N 3.12Å; Q266-Y270 PolarHBondContact O-N 3.13Å; Q266-Y270 VanDerWaalsContact O-N 3.09Å
267	C	90.1	Very high	89.9	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.034	34%	0.335	C	S	.	.	H	α-helix	trans	-71.3	-37.5	177.1	-67	0	0	0	0	111	V237 L241 W263 D264 P265 Y270 L271	V237-C267 HydrophobicContact CG1-CB 4.24Å; L241-C267 HydrophobicContact CD1-CB 3.84Å; W263-C267 HydrophobicContact CB-CB 4.33Å; D264-C267 WeakPolarHBondContact O-CB 3.42Å; D264-C267 PolarHBondContact O-N 2.75Å; P265-C267 VanDerWaalsContact C-N 3.3Å; P265-C267 PolarHBondContact O-N 3.44Å; C267-Y270 PolarHBondContact O-N 3.11Å; C267-L271 WeakPolarHBondContact O-CG 3.22Å; C267-L271 PolarHBondContact O-N 2.84Å; C267-L271 VanDerWaalsContact O-N 3.13Å
268	K	90.6	Very high	89.8	Confident	65 Å²	65	64.5 Å²	64.5	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-42.9	174.6	-67.7	-176.4	175	-178.2	0	111.5	L258 L261 W263 D264 P265 Y270 L271 A272	L258-K268 HydrophobicContact CD2-CB 4.25Å; L258-K268 WeakPolarHBondContact CD2-O 3.26Å; L261-K268 WeakPolarHBondContact O-CE 3.45Å; L261-K268 PolarHBondContact O-NZ 2.96Å; W263-K268 VanDerWaalsContact O-CE 3.29Å; W263-K268 WeakPolarHBondContact O-CE 3.49Å; D264-K268 PolarHBondContact O-N 3.23Å; P265-K268 WeakPolarHBondContact O-CB 3.36Å; P265-K268 PolarHBondContact O-N 3.23Å; P265-K268 VanDerWaalsContact O-N 3.1Å; K268-Y270 VanDerWaalsContact C-N 3.32Å; K268-Y270 PolarHBondContact O-N 3.29Å; K268-L271 PolarHBondContact O-N 3.04Å; K268-A272 VanDerWaalsContact O-CB 3.24Å; K268-A272 WeakPolarHBondContact O-CB 3.37Å; K268-A272 PolarHBondContact O-N 2.99Å
269	D	92	Very high	89.9	Confident	108 Å²	108	64 Å²	64	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-61.5	-41.6	177.2	-67.6	-22.7	0	0	0	111.2	P265 A272 Q273	P265-D269 VanDerWaalsContact O-CG 3.23Å; P265-D269 PolarHBondContact O-N 2.8Å; D269-A272 PolarHBondContact O-N 3.28Å; D269-Q273 WeakPolarHBondContact O-CB 3.45Å; D269-Q273 PolarHBondContact O-N 3.39Å
270	Y	92.6	Very high	90.1	Very high	74 Å²	74	61.3 Å²	61.3	29%	0.29	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-49.6	174.3	175.1	-108.7	0	0	0	112.3	L241 Q266 C267 K268 A272 Q273 I274	L241-Y270 HydrophobicContact CB-CD1 4.14Å; L241-Y270 HydrophobicContact CB-CE1 3.96Å; L241-Y270 HydrophobicContact CD1-CD1 4.37Å; Q266-Y270 PolarHBondContact O-N 3.13Å; Q266-Y270 VanDerWaalsContact O-N 3.09Å; C267-Y270 PolarHBondContact O-N 3.11Å; K268-Y270 VanDerWaalsContact C-N 3.32Å; K268-Y270 PolarHBondContact O-N 3.29Å; Y270-A272 VanDerWaalsContact C-N 3.33Å; Y270-A272 PolarHBondContact O-N 2.85Å; Y270-Q273 PolarHBondContact O-N 3.23Å; Y270-I274 HydrophobicContact CD1-CD1 4.23Å; Y270-I274 HydrophobicContact CE1-CD1 3.65Å; Y270-I274 HydrophobicContact CE2-CD1 3.97Å; Y270-I274 WeakPolarHBondContact O-CG1 3.37Å; Y270-I274 PolarHBondContact O-N 3.2Å; Y270-I274 VanDerWaalsContact O-N 3.12Å
271	L	93.1	Very high	90.2	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-36.3	177.6	-68.3	179	0	0	0	112.3	F219 L241 L254 L258 W263 C267 K268 I274 F275	F219-L271 HydrophobicContact CE2-CD1 4.29Å; F219-L271 HydrophobicContact CE2-CD2 4.24Å; F219-L271 HydrophobicContact CZ-CD1 4.2Å; L241-L271 HydrophobicContact CD1-CD1 4.31Å; L241-L271 HydrophobicContact CD1-CD2 4.42Å; L241-L271 HydrophobicContact CD1-CG 4.21Å; L241-L271 HydrophobicContact CD2-CD2 4.23Å; L254-L271 HydrophobicContact CD2-CD2 4.03Å; L258-L271 HydrophobicContact CD2-CB 3.83Å; L258-L271 HydrophobicContact CG-CB 4.37Å; W263-L271 HydrophobicContact CE3-CD1 4.49Å; W263-L271 HydrophobicContact CZ3-CD1 4.21Å; C267-L271 WeakPolarHBondContact O-CG 3.22Å; C267-L271 PolarHBondContact O-N 2.84Å; C267-L271 VanDerWaalsContact O-N 3.13Å; K268-L271 PolarHBondContact O-N 3.04Å; L271-I274 PolarHBondContact O-N 3.31Å; L271-F275 WeakPolarHBondContact O-CB 3.26Å; L271-F275 PolarHBondContact O-N 2.92Å
272	A	93.1	Very high	90.3	Very high	40 Å²	40	63.1 Å²	63.1	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-38.6	176	0	0	0	0	0	111.7	L258 K268 D269 Y270 F275 Q276	L258-A272 HydrophobicContact CD1-CB 4.38Å; L258-A272 HydrophobicContact CD2-CB 4.48Å; K268-A272 VanDerWaalsContact O-CB 3.24Å; K268-A272 WeakPolarHBondContact O-CB 3.37Å; K268-A272 PolarHBondContact O-N 2.99Å; D269-A272 PolarHBondContact O-N 3.28Å; Y270-A272 VanDerWaalsContact C-N 3.33Å; Y270-A272 PolarHBondContact O-N 2.85Å; A272-F275 PolarHBondContact O-N 2.87Å; A272-Q276 WeakPolarHBondContact O-CB 3.29Å; A272-Q276 PolarHBondContact O-N 3.33Å
273	Q	93.5	Very high	90	Very high	116 Å²	116	60.7 Å²	60.7	54%	0.542	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174.1	-176.2	163.3	16.7	0	0	111.5	D269 Y270 Q276 D277	D269-Q273 WeakPolarHBondContact O-CB 3.45Å; D269-Q273 PolarHBondContact O-N 3.39Å; Y270-Q273 PolarHBondContact O-N 3.23Å; Q273-Q276 WeakPolarHBondContact O-CB 3.29Å; Q273-Q276 PolarHBondContact O-N 2.65Å; Q273-D277 VanDerWaalsContact O-CG 3.29Å; Q273-D277 PolarHBondContact O-N 3.02Å
274	I	92.5	Very high	89.2	Confident	4 Å²	4	62 Å²	62	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-45.6	175.6	-65.2	179	0	0	0	110.9	C246 L254 Y270 L271 Q276 D277 L278	C246-I274 HydrophobicContact CB-CD1 3.38Å; L254-I274 HydrophobicContact CD1-CG2 3.97Å; Y270-I274 HydrophobicContact CD1-CD1 4.23Å; Y270-I274 HydrophobicContact CE1-CD1 3.65Å; Y270-I274 HydrophobicContact CE2-CD1 3.97Å; Y270-I274 WeakPolarHBondContact O-CG1 3.37Å; Y270-I274 PolarHBondContact O-N 3.2Å; Y270-I274 VanDerWaalsContact O-N 3.12Å; L271-I274 PolarHBondContact O-N 3.31Å; I274-Q276 VanDerWaalsContact C-N 3.26Å; I274-Q276 PolarHBondContact O-N 3.43Å; I274-D277 PolarHBondContact O-N 3.14Å; I274-D277 VanDerWaalsContact O-N 3.16Å; I274-L278 HydrophobicContact CG2-CD1 3.92Å; I274-L278 HydrophobicContact CG2-CG 4.24Å; I274-L278 VanDerWaalsContact O-CG 3.28Å; I274-L278 WeakPolarHBondContact O-CG 3.15Å; I274-L278 PolarHBondContact O-N 2.84Å
275	F	93.5	Very high	88.2	Confident	56 Å²	56	67.3 Å²	67.3	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-55.4	-43.6	174.7	172.8	-94.9	0	0	0	111.5	P251 L254 Q255 L271 A272 L278 T279	P251-F275 HydrophobicContact CB-CD2 3.83Å; P251-F275 HydrophobicContact CB-CE2 3.68Å; P251-F275 WeakPolarHBondContact O-CE2 3.47Å; L254-F275 HydrophobicContact CB-CB 4.41Å; L254-F275 HydrophobicContact CB-CD2 4.2Å; L254-F275 HydrophobicContact CD1-CB 4.27Å; Q255-F275 HydrophobicContact CB-CE2 4.04Å; L271-F275 WeakPolarHBondContact O-CB 3.26Å; L271-F275 PolarHBondContact O-N 2.92Å; A272-F275 PolarHBondContact O-N 2.87Å; F275-L278 PolarHBondContact O-N 2.99Å; F275-T279 HydrophobicContact CD1-CG2 4.49Å; F275-T279 HydrophobicContact CD2-CG2 4.38Å; F275-T279 HydrophobicContact CE1-CG2 4.09Å; F275-T279 HydrophobicContact CE2-CG2 3.98Å; F275-T279 HydrophobicContact CZ-CG2 3.82Å; F275-T279 WeakPolarHBondContact O-CB 3.19Å; F275-T279 WeakPolarHBondContact O-CG2 3.25Å; F275-T279 PolarHBondContact O-N 2.94Å; F275-T279 PolarHBondContact O-OG1 2.92Å
276	Q	93.5	Very high	86.9	Confident	110 Å²	110	67.8 Å²	67.8	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-43	176.4	-170.3	177.9	23.7	0	0	112.1	A272 Q273 I274 L278 T279 L280	A272-Q276 WeakPolarHBondContact O-CB 3.29Å; A272-Q276 PolarHBondContact O-N 3.33Å; Q273-Q276 WeakPolarHBondContact O-CB 3.29Å; Q273-Q276 PolarHBondContact O-N 2.65Å; I274-Q276 VanDerWaalsContact C-N 3.26Å; I274-Q276 PolarHBondContact O-N 3.43Å; Q276-L278 VanDerWaalsContact C-N 3.33Å; Q276-L278 PolarHBondContact O-N 2.82Å; Q276-T279 WeakPolarHBondContact CA-OG1 3.47Å; Q276-T279 PolarHBondContact O-N 3.43Å; Q276-T279 PolarHBondContact O-OG1 2.64Å; Q276-T279 VanDerWaalsContact O-OG1 3.08Å; Q276-L280 HydrophobicContact CG-CD1 3.79Å; Q276-L280 HydrophobicContact CG-CG 4.29Å; Q276-L280 VanDerWaalsContact O-CB 3.27Å; Q276-L280 WeakPolarHBondContact O-CB 3.3Å; Q276-L280 VanDerWaalsContact O-CG 3.22Å; Q276-L280 WeakPolarHBondContact O-CG 3.46Å; Q276-L280 PolarHBondContact O-N 3.08Å
277	D	92.1	Very high	85.7	Confident	26 Å²	26	64 Å²	64	14%	0.139	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-39.4	178.9	-71.5	-16.4	0	0	0	111.9	Q273 I274 H281 K282	Q273-D277 VanDerWaalsContact O-CG 3.29Å; Q273-D277 PolarHBondContact O-N 3.02Å; I274-D277 PolarHBondContact O-N 3.14Å; I274-D277 VanDerWaalsContact O-N 3.16Å; D277-H281 PolarHBondContact O-N 3.38Å; D277-K282 HydrophobicContact CB-CD 4.29Å; D277-K282 PolarHBondContact O-N 3.48Å; D277-K282 WeakPolarHBondContact OD1-CD 3.4Å; D277-K282 WeakPolarHBondContact OD1-CE 3.38Å; D277-K282 IonicContact OD1-NZ 3.79Å; D277-K282 PolarHBondContact OD1-NZ 3.42Å
278	L	91.4	Very high	84.7	Confident	9 Å²	9	67.6 Å²	67.6	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-70	-41.4	177	-66.2	174.7	0	0	0	112.9	L249 P251 L254 I274 F275 Q276 L280 H281 R440	L249-L278 WeakPolarHBondContact O-CD1 3.39Å; P251-L278 HydrophobicContact CG-CB 3.94Å; P251-L278 HydrophobicContact CG-CD1 4.32Å; L254-L278 HydrophobicContact CD1-CD1 3.73Å; I274-L278 HydrophobicContact CG2-CD1 3.92Å; I274-L278 HydrophobicContact CG2-CG 4.24Å; I274-L278 VanDerWaalsContact O-CG 3.28Å; I274-L278 WeakPolarHBondContact O-CG 3.15Å; I274-L278 PolarHBondContact O-N 2.84Å; F275-L278 PolarHBondContact O-N 2.99Å; Q276-L278 VanDerWaalsContact C-N 3.33Å; Q276-L278 PolarHBondContact O-N 2.82Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-H281 PolarHBondContact O-N 3.07Å; L278-R440 WeakPolarHBondContact O-CD 3.47Å; L278-R440 PolarHBondContact O-NE 3.24Å
279	T	91.3	Very high	83.9	Confident	33 Å²	33	69.4 Å²	69.4	20%	0.202	38%	0.382	C	S	.	.	H	α-helix	trans	-73.8	-25.7	178.5	49.9	0	0	0	0	112.7	P251 F275 Q276 H281	P251-T279 HydrophobicContact CB-CG2 4.14Å; P251-T279 HydrophobicContact CG-CG2 4.4Å; F275-T279 HydrophobicContact CD1-CG2 4.49Å; F275-T279 HydrophobicContact CD2-CG2 4.38Å; F275-T279 HydrophobicContact CE1-CG2 4.09Å; F275-T279 HydrophobicContact CE2-CG2 3.98Å; F275-T279 HydrophobicContact CZ-CG2 3.82Å; F275-T279 WeakPolarHBondContact O-CB 3.19Å; F275-T279 WeakPolarHBondContact O-CG2 3.25Å; F275-T279 PolarHBondContact O-N 2.94Å; F275-T279 PolarHBondContact O-OG1 2.92Å; Q276-T279 WeakPolarHBondContact CA-OG1 3.47Å; Q276-T279 PolarHBondContact O-N 3.43Å; Q276-T279 PolarHBondContact O-OG1 2.64Å; Q276-T279 VanDerWaalsContact O-OG1 3.08Å; T279-H281 VanDerWaalsContact C-N 3.27Å; T279-H281 PolarHBondContact O-CD2 3.2Å
280	L	92.1	Very high	83.5	Confident	99 Å²	99	65.9 Å²	65.9	52%	0.518	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.5	170.4	-67.9	177.7	0	0	0	113.2	Q276 L278 K282	Q276-L280 HydrophobicContact CG-CD1 3.79Å; Q276-L280 HydrophobicContact CG-CG 4.29Å; Q276-L280 VanDerWaalsContact O-CB 3.27Å; Q276-L280 WeakPolarHBondContact O-CB 3.3Å; Q276-L280 VanDerWaalsContact O-CG 3.22Å; Q276-L280 WeakPolarHBondContact O-CG 3.46Å; Q276-L280 PolarHBondContact O-N 3.08Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L280-K282 HydrophobicContact CB-CG 4.15Å; L280-K282 PolarHBondContact O-N 2.96Å
281	H	89.6	Confident	83.1	Confident	23 Å²	23	66.1 Å²	66.1	11%	0.106	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	35	179.5	-55	-77.6	0	0	0	113.2	D277 L278 T279 N439 R440 L441	D277-H281 PolarHBondContact O-N 3.38Å; L278-H281 PolarHBondContact O-N 3.07Å; T279-H281 VanDerWaalsContact C-N 3.27Å; T279-H281 PolarHBondContact O-CD2 3.2Å; H281-N439 WeakPolarHBondContact CB-O 3.18Å; H281-N439 PolarHBondContact ND1-O 3.1Å; H281-R440 PolarHBondContact CE1-O 2.91Å; H281-L441 HydrophobicContact CB-CD1 4.01Å; H281-L441 HydrophobicContact CB-CD2 4.36Å; H281-L441 HydrophobicContact CB-CG 4.09Å
282	K	86.1	Confident	82.6	Confident	93 Å²	93	66.9 Å²	66.9	40%	0.404	38%	0.375	S	S	.	.			trans	-63.7	141.8	178.7	-68.2	-175.7	-172.4	165.2	0	109.5	D277 L280 T284	D277-K282 HydrophobicContact CB-CD 4.29Å; D277-K282 PolarHBondContact O-N 3.48Å; D277-K282 WeakPolarHBondContact OD1-CD 3.4Å; D277-K282 WeakPolarHBondContact OD1-CE 3.38Å; D277-K282 IonicContact OD1-NZ 3.79Å; D277-K282 PolarHBondContact OD1-NZ 3.42Å; L280-K282 HydrophobicContact CB-CG 4.15Å; L280-K282 PolarHBondContact O-N 2.96Å; K282-T284 PolarHBondContact O-N 3.33Å
283	P	75.5	Confident	82.1	Confident	71 Å²	71	70.6 Å²	70.6	46%	0.461	38%	0.383	S	S	.	.			trans	-56.9	108.6	168.3	-20.5	31.5	0	0	0	108.5	E510	P283-E510 HydrophobicContact CG-CG 4.33Å
284	T	67.1	Low	81.5	Confident	58 Å²	58	66.7 Å²	66.7	36%	0.356	37%	0.367	S	S	.	.			trans	-79.4	137.6	175.7	42.5	0	0	0	0	107.9	K282 A286	K282-T284 PolarHBondContact O-N 3.33Å; T284-A286 PolarHBondContact O-N 2.78Å
285	K	65.3	Low	81.2	Confident	193 Å²	193	69 Å²	69	84%	0.839	38%	0.382	S	S	*	.			trans	-52.5	134.1	169.1	-73.8	-176.6	178.1	179.8	0	107.6	V287	K285-V287 PolarHBondContact O-N 3.1Å
286	A	60.5	Low	81.1	Confident	102 Å²	102	68.8 Å²	68.8	84%	0.843	38%	0.382	S	S	*	.			trans	-54	99	-177.9	0	0	0	0	0	110.2	T284	T284-A286 PolarHBondContact O-N 2.78Å
287	V	63.8	Low	81.2	Confident	58 Å²	58	63.5 Å²	63.5	35%	0.352	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-78.8	121.6	166.9	-178.7	0	0	0	0	104.8	R245 K285 C289	R245-V287 HydrophobicContact CB-CG1 4.15Å; R245-V287 HydrophobicContact CG-CG1 3.97Å; K285-V287 PolarHBondContact O-N 3.1Å; V287-C289 PolarHBondContact O-N 2.74Å
288	P	68.6	Low	81.4	Confident	80 Å²	80	62.3 Å²	62.3	52%	0.519	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-52.1	132.1	177	-24.6	33.1	0	0	0	109.8	R245	R245-P288 PolarHBondContact NH1-O 2.86Å; R245-P288 PolarHBondContact NH2-O 3.35Å
289	C	74.4	Confident	81.8	Confident	103 Å²	103	61.9 Å²	61.9	70%	0.696	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-63.4	161.3	170.8	-63.6	0	0	0	0	110.1	R245 V287 T291	R245-C289 PolarHBondContact NH1-O 2.75Å; R245-C289 VanDerWaalsContact NH1-O 3.12Å; V287-C289 PolarHBondContact O-N 2.74Å; C289-T291 PolarHBondContact O-N 2.8Å
290	R	84.4	Confident	82.1	Confident	34 Å²	34	60.3 Å²	60.3	13%	0.128	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.2	136	175	-65.5	-78.2	179.2	-171.4	0	106.2	I205 R207 D208 V212 E215 R245 P292	I205-R290 VanDerWaalsContact O-CZ 3.32Å; I205-R290 PolarHBondContact O-NH1 3.22Å; I205-R290 PolarHBondContact O-NH2 2.8Å; R207-R290 PolarHBondContact O-NH1 3.1Å; D208-R290 CarbonylContact O-C 3.49Å; D208-R290 WeakPolarHBondContact O-CA 3.45Å; V212-R290 HydrophobicContact CG2-CG 4.32Å; E215-R290 IonicContact OE1-CZ 3.45Å; E215-R290 IonicContact OE1-NH2 3.36Å; E215-R290 PolarHBondContact OE1-NH2 2.82Å; E215-R290 IonicContact OE2-CZ 3.59Å; E215-R290 IonicContact OE2-NE 2.9Å; E215-R290 PolarHBondContact OE2-NE 3.11Å; E215-R290 IonicContact OE2-NH2 3.82Å; E215-R290 PolarHBondContact OE2-NH2 2.71Å; R245-R290 VanDerWaalsContact NH1-CD 3.31Å; R245-R290 VanDerWaalsContact NH1-CG 3.27Å; R290-P292 VanDerWaalsContact O-CD 3.3Å; R290-P292 WeakPolarHBondContact O-CD 3.46Å
291	T	83.8	Confident	82.4	Confident	78 Å²	78	55.6 Å²	55.6	48%	0.479	31%	0.314	S	S	.	.			trans	-120	66	-178.6	49.5	0	0	0	0	109.2	D208 C289	D208-T291 WeakPolarHBondContact CB-OG1 3.47Å; D208-T291 CarbonylContact O-C 3.5Å; D208-T291 PolarHBondContact O-N 3.16Å; C289-T291 PolarHBondContact O-N 2.8Å
292	P	82.4	Confident	82.8	Confident	19 Å²	19	54.5 Å²	54.5	12%	0.123	31%	0.309	C	S	.	.			trans	-58.5	144.9	179.9	26.2	-33.6	0	0	0	110.7	M182 E209 N211 R290 V294	M182-P292 HydrophobicContact CE-CB 4.47Å; E209-P292 WeakPolarHBondContact O-CA 2.92Å; N211-P292 HydrophobicContact CB-CB 3.86Å; R290-P292 VanDerWaalsContact O-CD 3.3Å; R290-P292 WeakPolarHBondContact O-CD 3.46Å; P292-V294 HydrophobicContact CB-CG2 3.56Å; P292-V294 HydrophobicContact CG-CG2 3.52Å; P292-V294 PolarHBondContact O-N 2.78Å
293	K	81.6	Confident	83.4	Confident	118 Å²	118	50 Å²	50	51%	0.513	29%	0.29	S	S	.	.	S	Bend	trans	-74.6	50.3	178.1	-63.3	-170.5	-177	-175.3	0	112.7	E178 M182 E209	E178-K293 IonicContact OE1-NZ 2.82Å; E178-K293 PolarHBondContact OE1-NZ 2.78Å; M182-K293 HydrophobicContact CE-CB 3.9Å; E209-K293 HydrophobicContact CB-CG 4.39Å; E209-K293 HydrophobicContact CG-CG 4.18Å
294	V	81.3	Confident	84.5	Confident	33 Å²	33	50 Å²	50	20%	0.2	28%	0.281	C	S	.	.	S	Bend	trans	-124.9	133.1	-179.1	-75	0	0	0	0	107.2	M182 P292 Q296 M580	M182-V294 HydrophobicContact SD-CG1 3.48Å; M182-V294 WeakPolarHBondContact SD-CG1 3.44Å; P292-V294 HydrophobicContact CB-CG2 3.56Å; P292-V294 HydrophobicContact CG-CG2 3.52Å; P292-V294 PolarHBondContact O-N 2.78Å; V294-Q296 PolarHBondContact O-N 3.32Å; V294-Q296 VanDerWaalsContact O-N 3.14Å; V294-M580 HydrophobicContact CB-CE 3.47Å; V294-M580 VanDerWaalsContact CB-CE 3.47Å; V294-M580 HydrophobicContact CB-SD 4.26Å; V294-M580 HydrophobicContact CG1-CE 3.75Å; V294-M580 HydrophobicContact CG2-CE 3.02Å; V294-M580 HydrophobicContact CG2-SD 3.41Å; V294-M580 WeakPolarHBondContact CG2-SD 3.38Å
295	P	86.5	Confident	85.9	Confident	53 Å²	53	50.9 Å²	50.9	34%	0.344	28%	0.28	S	S	.	.			trans	-60.8	123.4	178.5	-24.2	36	0	0	0	110.3	L297 E581	P295-L297 HydrophobicContact CB-CD2 4.49Å; P295-E581 HydrophobicContact CB-CB 4.15Å; P295-E581 VanDerWaalsContact CG-OE2 3.32Å; P295-E581 WeakPolarHBondContact CG-OE2 3.38Å; P295-E581 PolarHBondContact O-N 3.07Å
296	Q	90.9	Very high	87.2	Confident	51 Å²	51	51.2 Å²	51.2	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.6	169.4	-69.1	-174.7	-28.1	0	0	108.6	V294 L532 V578	V294-Q296 PolarHBondContact O-N 3.32Å; V294-Q296 VanDerWaalsContact O-N 3.14Å; Q296-L532 HydrophobicContact CB-CD1 4Å; Q296-L532 VanDerWaalsContact OE1-CD1 3.29Å; Q296-V578 HydrophobicContact CB-CG1 4.04Å
297	L	95.5	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.5	-177.6	-51.6	-170.5	0	0	0	110.9	P295 Y299 A314 Y315 N316 L323 V578 T579 E581	P295-L297 HydrophobicContact CB-CD2 4.49Å; L297-Y299 HydrophobicContact CB-CD2 4.18Å; L297-Y299 HydrophobicContact CB-CE2 3.82Å; L297-A314 HydrophobicContact CB-CB 4.09Å; L297-A314 HydrophobicContact CD1-CB 3.81Å; L297-Y315 CarbonylContact C-O 3.53Å; L297-Y315 VanDerWaalsContact CA-O 3.3Å; L297-Y315 WeakPolarHBondContact CA-O 3.44Å; L297-Y315 WeakPolarHBondContact CB-O 3.47Å; L297-N316 VanDerWaalsContact CD2-CA 3.49Å; L297-N316 HydrophobicContact CD2-CB 3.42Å; L297-N316 VanDerWaalsContact CD2-CB 3.42Å; L297-L323 HydrophobicContact CD1-CD1 3.74Å; L297-V578 WeakPolarHBondContact O-CA 3.24Å; L297-T579 PolarHBondContact N-O 2.79Å; L297-T579 PolarHBondContact O-N 2.81Å; L297-E581 HydrophobicContact CD1-CB 4.2Å; L297-E581 HydrophobicContact CD1-CG 4.11Å; L297-E581 HydrophobicContact CG-CB 4.24Å
298	I	97.9	Very high	90.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.3	171.9	-62.4	172.8	0	0	0	107.9	A314 Y315 P317 T530 L532 Y537 L539 V576 V578	I298-A314 CarbonylContact O-C 3.56Å; I298-A314 WeakPolarHBondContact O-CA 3.29Å; I298-Y315 HydrophobicContact CD1-CD1 4.22Å; I298-Y315 PolarHBondContact N-O 3.04Å; I298-Y315 PolarHBondContact O-N 3.31Å; I298-P317 HydrophobicContact CD1-CG 4.21Å; I298-T530 HydrophobicContact CB-CG2 4.48Å; I298-T530 HydrophobicContact CD1-CG2 4.1Å; I298-T530 HydrophobicContact CG1-CG2 3.97Å; I298-T530 HydrophobicContact CG2-CG2 3.8Å; I298-L532 HydrophobicContact CD1-CD2 4.1Å; I298-L532 HydrophobicContact CG1-CD2 3.72Å; I298-Y537 HydrophobicContact CD1-CD1 3.81Å; I298-Y537 HydrophobicContact CD1-CD2 3.62Å; I298-Y537 HydrophobicContact CD1-CE1 4.23Å; I298-Y537 HydrophobicContact CD1-CE2 4.07Å; I298-Y537 HydrophobicContact CD1-CG 3.47Å; I298-Y537 VanDerWaalsContact CD1-CG 3.47Å; I298-L539 HydrophobicContact CG2-CD1 4.21Å; I298-L539 HydrophobicContact CG2-CD2 3.98Å; I298-V576 HydrophobicContact CG2-CG1 3.67Å; I298-V578 HydrophobicContact CG1-CG2 4.13Å
299	Y	98.5	Very high	92	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.4	177.1	-73.9	-113	0	0	0	110.1	L297 L312 E313 A314 L325 F344 Y366 V576 A577 T579 M580 P582	L297-Y299 HydrophobicContact CB-CD2 4.18Å; L297-Y299 HydrophobicContact CB-CE2 3.82Å; Y299-L312 HydrophobicContact CD1-CD1 4.14Å; Y299-E313 CarbonylContact C-O 3.52Å; Y299-E313 WeakPolarHBondContact CA-O 3.36Å; Y299-A314 HydrophobicContact CD1-CB 3.99Å; Y299-A314 HydrophobicContact CD2-CB 4.12Å; Y299-A314 HydrophobicContact CE1-CB 4Å; Y299-A314 HydrophobicContact CE2-CB 4.11Å; Y299-A314 HydrophobicContact CG-CB 4.07Å; Y299-L325 HydrophobicContact CD1-CD1 3.71Å; Y299-L325 HydrophobicContact CE1-CD1 3.24Å; Y299-F344 VanDerWaalsContact CB-CE2 3.4Å; Y299-F344 HydrophobicContact CD1-CD2 4.42Å; Y299-F344 HydrophobicContact CG-CD2 4.14Å; Y299-F344 HydrophobicContact CG-CE2 4.33Å; Y299-Y366 HydrophobicContact CE1-CD1 4.4Å; Y299-Y366 AromaticContact CE1-CE1 3.82Å; Y299-Y366 HydrophobicContact CE1-CE1 3.82Å; Y299-V576 VanDerWaalsContact O-CA 3.25Å; Y299-V576 WeakPolarHBondContact O-CA 3.27Å; Y299-V576 WeakPolarHBondContact O-CG1 3.49Å; Y299-A577 PolarHBondContact N-O 3.15Å; Y299-A577 PolarHBondContact O-N 2.76Å; Y299-A577 VanDerWaalsContact O-N 3.13Å; Y299-T579 HydrophobicContact CD2-CG2 3.64Å; Y299-T579 HydrophobicContact CE1-CG2 4.33Å; Y299-T579 HydrophobicContact CE2-CG2 3.23Å; Y299-T579 HydrophobicContact CG-CG2 4.35Å; Y299-M580 PolarHBondContact OH-O 3.2Å; Y299-P582 VanDerWaalsContact OH-CD 3.26Å; Y299-P582 WeakPolarHBondContact OH-CD 3.21Å
300	T	98.4	Very high	93.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.2	172.2	177.9	0	0	0	0	109.6	L312 E313 W322 V574 G575	T300-L312 WeakPolarHBondContact O-CA 3.4Å; T300-E313 HydrophobicContact CG2-CB 3.91Å; T300-E313 PolarHBondContact N-O 3.18Å; T300-E313 PolarHBondContact O-N 2.83Å; T300-W322 HydrophobicContact CG2-CH2 4.28Å; T300-W322 HydrophobicContact CG2-CZ3 3.77Å; T300-V574 WeakPolarHBondContact OG1-CB 3.42Å; T300-G575 CarbonylContact C-O 3.56Å; T300-G575 WeakPolarHBondContact CA-O 3.41Å
301	A	98.4	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	-176.6	0	0	0	0	0	111.7	Y311 L312 L328 L335 F344 G575	A301-Y311 CarbonylContact C-O 3.53Å; A301-Y311 VanDerWaalsContact CA-O 3.32Å; A301-Y311 WeakPolarHBondContact CA-O 3.38Å; A301-L312 HydrophobicContact CB-CD1 3.96Å; A301-L328 HydrophobicContact CB-CD1 4.41Å; A301-L335 HydrophobicContact CB-CD1 4.25Å; A301-F344 HydrophobicContact CB-CE1 3.72Å; A301-F344 HydrophobicContact CB-CZ 3.67Å; A301-G575 PolarHBondContact N-O 2.89Å; A301-G575 PolarHBondContact O-N 3.44Å
302	G	98.2	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.4	-136.3	176.7	0	0	0	0	0	113.6	L309 Y311 R332	G302-L309 VanDerWaalsContact CA-O 3.29Å; G302-L309 WeakPolarHBondContact CA-O 3.33Å; G302-Y311 PolarHBondContact N-O 2.96Å; G302-R332 WeakPolarHBondContact CA-O 3.45Å
303	G	98.2	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.3	-176.7	-177.7	0	0	0	0	0	113	S308 L309 R332 S333 S572	G303-S308 CarbonylContact O-C 3.55Å; G303-S308 WeakPolarHBondContact O-CA 3.42Å; G303-L309 PolarHBondContact O-N 2.71Å; G303-R332 PolarHBondContact N-O 2.81Å; G303-S333 WeakPolarHBondContact O-CB 3.49Å; G303-S572 CarbonylContact C-O 3.59Å; G303-S572 WeakPolarHBondContact CA-O 3.22Å
304	Y	98.3	Very high	95.9	Very high	70 Å²	70	34 Å²	34	28%	0.275	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.2	-177.8	-176.8	-93.3	0	0	0	110.7	R306 Q307 N352 F547 R571 S572	Y304-R306 PolarHBondContact OH-O 2.74Å; Y304-Q307 WeakPolarHBondContact CA-O 3.37Å; Y304-Q307 VanDerWaalsContact CD2-C 3.46Å; Y304-N352 HydrophobicContact CD2-CB 4.3Å; Y304-N352 HydrophobicContact CE2-CB 3.96Å; Y304-F547 AromaticContact CD1-CE1 3.61Å; Y304-F547 HydrophobicContact CD1-CE1 3.61Å; Y304-F547 AromaticContact CD1-CZ 3.67Å; Y304-F547 HydrophobicContact CD1-CZ 3.67Å; Y304-F547 HydrophobicContact CE1-CE1 4.06Å; Y304-F547 HydrophobicContact CE1-CE2 4.44Å; Y304-F547 AromaticContact CE1-CZ 3.62Å; Y304-F547 HydrophobicContact CE1-CZ 3.62Å; Y304-R571 WeakPolarHBondContact O-CA 3.36Å; Y304-S572 PolarHBondContact N-O 3.41Å; Y304-S572 PolarHBondContact O-N 2.94Å; Y304-S572 VanDerWaalsContact O-N 3.12Å
305	F	96.7	Very high	96.7	Very high	76 Å²	76	33 Å²	33	33%	0.333	15%	0.147	S	C	.	.	S	Bend	trans	-148.3	101.1	165.1	178.9	-108.1	0	0	0	108.1	Q307 L309 F547 G570	F305-Q307 PolarHBondContact N-O 3.02Å; F305-Q307 PolarHBondContact O-N 3.03Å; F305-L309 HydrophobicContact CB-CD1 4.18Å; F305-F547 HydrophobicContact CD2-CB 3.9Å; F305-F547 AromaticContact CD2-CD2 3.6Å; F305-F547 HydrophobicContact CD2-CD2 3.6Å; F305-F547 HydrophobicContact CD2-CE2 4.45Å; F305-F547 AromaticContact CD2-CG 3.93Å; F305-F547 HydrophobicContact CD2-CG 3.93Å; F305-F547 HydrophobicContact CE2-CB 4.42Å; F305-F547 AromaticContact CE2-CD2 4Å; F305-F547 HydrophobicContact CE2-CD2 4Å; F305-G570 WeakPolarHBondContact CD2-O 3.39Å
306	R	93.4	Very high	97	Very high	201 Å²	201	31 Å²	31	76%	0.758	13%	0.133	S	C	*	.	S	Bend	trans	64.6	-38	-169.3	-51.9	179.3	177.1	-169.3	-2.2	114.7	Y304	Y304-R306 PolarHBondContact OH-O 2.74Å
307	Q	96.4	Very high	97.1	Very high	98 Å²	98	30 Å²	30	46%	0.458	13%	0.131	S	C	.	.	S	Bend	trans	-140.3	168.1	172.1	63.6	-174.7	13.5	0	0	109.9	Y304 F305 N352	Y304-Q307 WeakPolarHBondContact CA-O 3.37Å; Y304-Q307 VanDerWaalsContact CD2-C 3.46Å; F305-Q307 PolarHBondContact N-O 3.02Å; F305-Q307 PolarHBondContact O-N 3.03Å; Q307-N352 WeakPolarHBondContact CA-O 3.35Å; Q307-N352 WeakPolarHBondContact CB-O 3.3Å
308	S	98.1	Very high	96.9	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-65.6	144.7	171.2	-68.2	0	0	0	0	111.2	G303 P331 S333 R350 N352	G303-S308 CarbonylContact O-C 3.55Å; G303-S308 WeakPolarHBondContact O-CA 3.42Å; S308-P331 WeakPolarHBondContact O-CB 3.41Å; S308-S333 PolarHBondContact OG-OG 3.42Å; S308-R350 PolarHBondContact OG-O 2.94Å; S308-R350 VanDerWaalsContact OG-O 3.04Å; S308-N352 PolarHBondContact N-O 2.84Å; S308-N352 PolarHBondContact OG-N 3.44Å
309	L	97.9	Very high	96.6	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	19%	0.193	C	C	.	.			trans	-109.7	149.7	-172.9	-56.2	174.5	0	0	0	110.8	G302 G303 F305 Y311 P331 R332 R571	G302-L309 VanDerWaalsContact CA-O 3.29Å; G302-L309 WeakPolarHBondContact CA-O 3.33Å; G303-L309 PolarHBondContact O-N 2.71Å; F305-L309 HydrophobicContact CB-CD1 4.18Å; L309-Y311 HydrophobicContact CB-CD2 4.24Å; L309-Y311 HydrophobicContact CB-CG 4.27Å; L309-Y311 HydrophobicContact CD1-CD2 4.02Å; L309-Y311 HydrophobicContact CD1-CE2 4.26Å; L309-Y311 HydrophobicContact CD2-CE2 4.3Å; L309-P331 VanDerWaalsContact O-CA 3.31Å; L309-P331 WeakPolarHBondContact O-CA 3.3Å; L309-R332 PolarHBondContact O-N 2.98Å; L309-R571 HydrophobicContact CD1-CB 3.93Å
310	S	97.7	Very high	96.3	Very high	23 Å²	23	41.3 Å²	41.3	16%	0.161	21%	0.211	C	C	.	.			trans	-92.3	-2.9	174.7	53.3	0	0	0	0	113.3	L312 D327 L328	S310-L312 PolarHBondContact O-N 2.82Å; S310-D327 WeakPolarHBondContact O-CA 3.47Å; S310-D327 PolarHBondContact OG-OD2 2.91Å; S310-L328 WeakPolarHBondContact CB-O 3.31Å; S310-L328 WeakPolarHBondContact O-CB 3.24Å; S310-L328 PolarHBondContact O-N 2.95Å
311	Y	97.9	Very high	96.1	Very high	80 Å²	80	43.5 Å²	43.5	31%	0.314	23%	0.229	S	C	.	.			trans	-64.1	131.1	-161.7	-66.2	-11.3	0	0	0	113.6	A301 G302 L309 D327 R571	A301-Y311 CarbonylContact C-O 3.53Å; A301-Y311 VanDerWaalsContact CA-O 3.32Å; A301-Y311 WeakPolarHBondContact CA-O 3.38Å; G302-Y311 PolarHBondContact N-O 2.96Å; L309-Y311 HydrophobicContact CB-CD2 4.24Å; L309-Y311 HydrophobicContact CB-CG 4.27Å; L309-Y311 HydrophobicContact CD1-CD2 4.02Å; L309-Y311 HydrophobicContact CD1-CE2 4.26Å; L309-Y311 HydrophobicContact CD2-CE2 4.3Å; Y311-D327 WeakPolarHBondContact CA-OD1 3.49Å; Y311-R571 VanDerWaalsContact CB-NH1 3.35Å; Y311-R571 VanDerWaalsContact CD2-CZ 3.48Å
312	L	98.3	Very high	96	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.6	161.9	-176.1	66.5	0	0	0	109.2	Y299 T300 A301 S310 L325 A326 F344 Y366 W373	Y299-L312 HydrophobicContact CD1-CD1 4.14Å; T300-L312 WeakPolarHBondContact O-CA 3.4Å; A301-L312 HydrophobicContact CB-CD1 3.96Å; S310-L312 PolarHBondContact O-N 2.82Å; L312-L325 HydrophobicContact CB-CB 4.14Å; L312-L325 HydrophobicContact CD2-CB 3.66Å; L312-L325 HydrophobicContact CD2-CD1 3.91Å; L312-L325 HydrophobicContact CD2-CG 4.45Å; L312-L325 HydrophobicContact CG-CB 3.83Å; L312-L325 HydrophobicContact CG-CD1 4.02Å; L312-L325 HydrophobicContact CG-CG 4.48Å; L312-L325 PolarHBondContact O-N 2.89Å; L312-A326 VanDerWaalsContact CB-O 3.28Å; L312-A326 WeakPolarHBondContact CB-O 3.27Å; L312-F344 HydrophobicContact CD1-CE1 4.32Å; L312-F344 HydrophobicContact CD1-CZ 4.42Å; L312-Y366 HydrophobicContact CD2-CD1 3.89Å; L312-Y366 HydrophobicContact CD2-CD2 3.56Å; L312-Y366 HydrophobicContact CD2-CE1 3.85Å; L312-Y366 HydrophobicContact CD2-CE2 3.52Å; L312-Y366 HydrophobicContact CD2-CG 3.75Å; L312-W373 HydrophobicContact CB-CZ2 4.25Å; L312-W373 HydrophobicContact CD1-CZ2 4.02Å; L312-W373 HydrophobicContact CD2-CZ2 3.68Å; L312-W373 HydrophobicContact CG-CZ2 4.18Å
313	E	97.7	Very high	95.9	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.3	179.4	-61.7	172.7	113.4	0	0	110.2	Y299 T300 W322 L323 T568 R571	Y299-E313 CarbonylContact C-O 3.52Å; Y299-E313 WeakPolarHBondContact CA-O 3.36Å; T300-E313 HydrophobicContact CG2-CB 3.91Å; T300-E313 PolarHBondContact N-O 3.18Å; T300-E313 PolarHBondContact O-N 2.83Å; E313-W322 HydrophobicContact CB-CE3 3.98Å; E313-W322 HydrophobicContact CB-CZ3 4.1Å; E313-L323 CarbonylContact C-O 3.6Å; E313-L323 WeakPolarHBondContact CA-O 3.28Å; E313-T568 WeakPolarHBondContact OE1-CB 3.44Å; E313-T568 WeakPolarHBondContact OE1-CG2 3.2Å; E313-T568 PolarHBondContact OE1-OG1 2.83Å; E313-T568 PolarHBondContact OE2-OG1 2.76Å; E313-R571 IonicContact OE2-CZ 3.2Å; E313-R571 IonicContact OE2-NH1 2.76Å; E313-R571 PolarHBondContact OE2-NH1 3.49Å; E313-R571 IonicContact OE2-NH2 3.45Å; E313-R571 PolarHBondContact OE2-NH2 3.4Å
314	A	97.7	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.7	178.9	0	0	0	0	0	110.9	L297 I298 Y299 W322 L323 L325	L297-A314 HydrophobicContact CB-CB 4.09Å; L297-A314 HydrophobicContact CD1-CB 3.81Å; I298-A314 CarbonylContact O-C 3.56Å; I298-A314 WeakPolarHBondContact O-CA 3.29Å; Y299-A314 HydrophobicContact CD1-CB 3.99Å; Y299-A314 HydrophobicContact CD2-CB 4.12Å; Y299-A314 HydrophobicContact CE1-CB 4Å; Y299-A314 HydrophobicContact CE2-CB 4.11Å; Y299-A314 HydrophobicContact CG-CB 4.07Å; A314-W322 CarbonylContact O-C 3.54Å; A314-W322 WeakPolarHBondContact O-CA 3.06Å; A314-L323 HydrophobicContact CB-CB 4.39Å; A314-L323 PolarHBondContact N-O 2.65Å; A314-L323 PolarHBondContact O-N 2.88Å; A314-L325 HydrophobicContact CB-CD1 3.9Å
315	Y	97.1	Very high	95.7	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132	177.6	173.1	-120.2	0	0	0	110.8	L297 I298 P317 W322 T565	L297-Y315 CarbonylContact C-O 3.53Å; L297-Y315 VanDerWaalsContact CA-O 3.3Å; L297-Y315 WeakPolarHBondContact CA-O 3.44Å; L297-Y315 WeakPolarHBondContact CB-O 3.47Å; I298-Y315 HydrophobicContact CD1-CD1 4.22Å; I298-Y315 PolarHBondContact N-O 3.04Å; I298-Y315 PolarHBondContact O-N 3.31Å; Y315-P317 HydrophobicContact CD1-CG 4.1Å; Y315-P317 HydrophobicContact CE1-CB 4.02Å; Y315-P317 HydrophobicContact CE1-CG 3.96Å; Y315-P317 WeakPolarHBondContact O-CD 3.33Å; Y315-W322 AromaticContact CD2-CD1 3.99Å; Y315-W322 HydrophobicContact CD2-CD2 4.14Å; Y315-W322 AromaticContact CD2-CE2 3.72Å; Y315-W322 HydrophobicContact CD2-CG 4.32Å; Y315-W322 HydrophobicContact CD2-CZ2 4.16Å; Y315-W322 AromaticContact CD2-NE1 3.62Å; Y315-W322 HydrophobicContact CG-CD2 4.44Å; Y315-W322 HydrophobicContact CG-CH2 4.43Å; Y315-W322 HydrophobicContact CG-CZ2 4.05Å; Y315-T565 HydrophobicContact CD1-CG2 4.43Å; Y315-T565 HydrophobicContact CD2-CG2 3.94Å; Y315-T565 HydrophobicContact CE1-CG2 4.13Å; Y315-T565 HydrophobicContact CE2-CG2 3.58Å; Y315-T565 HydrophobicContact CG-CG2 4.35Å
316	N	94.8	Very high	95.7	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.064	25%	0.252	C	S	.	.			trans	-98.7	106.4	172.4	-171.4	-30.3	0	0	0	110.3	L297 C318 T319 G320 A321	L297-N316 VanDerWaalsContact CD2-CA 3.49Å; L297-N316 HydrophobicContact CD2-CB 3.42Å; L297-N316 VanDerWaalsContact CD2-CB 3.42Å; N316-C318 PolarHBondContact O-N 3.26Å; N316-C318 WeakPolarHBondContact OD1-CA 3.35Å; N316-C318 WeakPolarHBondContact OD1-CB 3.42Å; N316-C318 PolarHBondContact OD1-N 2.79Å; N316-T319 VanDerWaalsContact CB-OG1 3.32Å; N316-T319 WeakPolarHBondContact CB-OG1 3.32Å; N316-T319 VanDerWaalsContact CG-OG1 3.23Å; N316-T319 PolarHBondContact ND2-OG1 2.88Å; N316-T319 PolarHBondContact O-N 2.74Å; N316-T319 PolarHBondContact OD1-N 3.05Å; N316-G320 WeakPolarHBondContact O-CA 3.44Å; N316-G320 PolarHBondContact O-N 3.26Å; N316-A321 PolarHBondContact N-O 2.59Å
317	P	92.5	Very high	95.9	Very high	31 Å²	31	41.4 Å²	41.4	20%	0.201	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	179.9	-19	31.7	0	0	0	113.9	I298 Y315 L532	I298-P317 HydrophobicContact CD1-CG 4.21Å; Y315-P317 HydrophobicContact CD1-CG 4.1Å; Y315-P317 HydrophobicContact CE1-CB 4.02Å; Y315-P317 HydrophobicContact CE1-CG 3.96Å; Y315-P317 WeakPolarHBondContact O-CD 3.33Å; P317-L532 HydrophobicContact CG-CD2 3.72Å
318	C	90.6	Very high	95.9	Very high	102 Å²	102	37 Å²	37	69%	0.689	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-35.8	-179.2	-59.7	0	0	0	0	112.1	N316	N316-C318 PolarHBondContact O-N 3.26Å; N316-C318 WeakPolarHBondContact OD1-CA 3.35Å; N316-C318 WeakPolarHBondContact OD1-CB 3.42Å; N316-C318 PolarHBondContact OD1-N 2.79Å
319	T	92.1	Very high	95.7	Very high	98 Å²	98	43.1 Å²	43.1	60%	0.601	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-14	-178	64.7	0	0	0	0	113.5	N316 A321	N316-T319 VanDerWaalsContact CB-OG1 3.32Å; N316-T319 WeakPolarHBondContact CB-OG1 3.32Å; N316-T319 VanDerWaalsContact CG-OG1 3.23Å; N316-T319 PolarHBondContact ND2-OG1 2.88Å; N316-T319 PolarHBondContact O-N 2.74Å; N316-T319 PolarHBondContact OD1-N 3.05Å; T319-A321 PolarHBondContact O-N 3.12Å; T319-A321 WeakPolarHBondContact OG1-CB 3.27Å; T319-A321 PolarHBondContact OG1-N 3.5Å
320	G	92.3	Very high	95.6	Very high	37 Å²	37	45.8 Å²	45.8	38%	0.381	26%	0.257	S	S	.	.			trans	73.9	3.6	-172.7	0	0	0	0	0	114.1	N316	N316-G320 WeakPolarHBondContact O-CA 3.44Å; N316-G320 PolarHBondContact O-N 3.26Å
321	A	94.2	Very high	95.6	Very high	45 Å²	45	46.7 Å²	46.7	37%	0.372	26%	0.262	S	S	.	.			trans	-84.7	148.6	-174.3	0	0	0	0	0	112.8	N316 T319	N316-A321 PolarHBondContact N-O 2.59Å; T319-A321 PolarHBondContact O-N 3.12Å; T319-A321 WeakPolarHBondContact OG1-CB 3.27Å; T319-A321 PolarHBondContact OG1-N 3.5Å
322	W	96.3	Very high	95.6	Very high	50 Å²	50	42.9 Å²	42.9	19%	0.189	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.9	170.7	-76.1	90.7	0	0	0	110.7	T300 E313 A314 Y315 L539 V551 T565 H566 I567	T300-W322 HydrophobicContact CG2-CH2 4.28Å; T300-W322 HydrophobicContact CG2-CZ3 3.77Å; E313-W322 HydrophobicContact CB-CE3 3.98Å; E313-W322 HydrophobicContact CB-CZ3 4.1Å; A314-W322 CarbonylContact O-C 3.54Å; A314-W322 WeakPolarHBondContact O-CA 3.06Å; Y315-W322 AromaticContact CD2-CD1 3.99Å; Y315-W322 HydrophobicContact CD2-CD2 4.14Å; Y315-W322 AromaticContact CD2-CE2 3.72Å; Y315-W322 HydrophobicContact CD2-CG 4.32Å; Y315-W322 HydrophobicContact CD2-CZ2 4.16Å; Y315-W322 AromaticContact CD2-NE1 3.62Å; Y315-W322 HydrophobicContact CG-CD2 4.44Å; Y315-W322 HydrophobicContact CG-CH2 4.43Å; Y315-W322 HydrophobicContact CG-CZ2 4.05Å; W322-L539 HydrophobicContact CH2-CD2 4.14Å; W322-V551 HydrophobicContact CZ2-CG2 4.12Å; W322-T565 HydrophobicContact CZ2-CG2 3.83Å; W322-T565 PolarHBondContact NE1-OG1 2.95Å; W322-H566 PolarHBondContact NE1-O 2.86Å; W322-H566 VanDerWaalsContact NE1-O 3.13Å; W322-I567 HydrophobicContact CH2-CB 4.38Å; W322-I567 HydrophobicContact CH2-CG1 3.85Å; W322-I567 HydrophobicContact CH2-CG2 4.36Å; W322-I567 HydrophobicContact CZ2-CB 4.39Å; W322-I567 HydrophobicContact CZ2-CG1 3.98Å
323	L	95.6	Very high	95.6	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.246	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.7	175.3	-58.6	179	0	0	0	109.9	L297 E313 A314 L325 P582	L297-L323 HydrophobicContact CD1-CD1 3.74Å; E313-L323 CarbonylContact C-O 3.6Å; E313-L323 WeakPolarHBondContact CA-O 3.28Å; A314-L323 HydrophobicContact CB-CB 4.39Å; A314-L323 PolarHBondContact N-O 2.65Å; A314-L323 PolarHBondContact O-N 2.88Å; L323-L325 HydrophobicContact CB-CD2 4.36Å; L323-P582 HydrophobicContact CD1-CG 4.1Å
324	R	95.8	Very high	95.6	Very high	106 Å²	106	43.5 Å²	43.5	40%	0.4	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125	171	177.4	56.4	174.7	-172.6	-5.3	109.8	D327	R324-D327 IonicContact CZ-OD1 2.77Å; R324-D327 IonicContact NE-OD1 2.73Å; R324-D327 IonicContact NH1-OD1 3.99Å; R324-D327 PolarHBondContact NH1-OD1 3.37Å; R324-D327 IonicContact NH2-OD1 3.6Å; R324-D327 PolarHBondContact NH2-OD1 3.44Å; R324-D327 IonicContact NH2-OD2 3.62Å; R324-D327 PolarHBondContact NH2-OD2 2.81Å
325	L	96.8	Very high	95.6	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	26%	0.256	C	S	.	.			trans	-115.8	-179.4	-175.3	-55.6	178.1	0	0	0	111.1	Y299 L312 A314 L323 D327 Y366 P582 L587	Y299-L325 HydrophobicContact CD1-CD1 3.71Å; Y299-L325 HydrophobicContact CE1-CD1 3.24Å; L312-L325 HydrophobicContact CB-CB 4.14Å; L312-L325 HydrophobicContact CD2-CB 3.66Å; L312-L325 HydrophobicContact CD2-CD1 3.91Å; L312-L325 HydrophobicContact CD2-CG 4.45Å; L312-L325 HydrophobicContact CG-CB 3.83Å; L312-L325 HydrophobicContact CG-CD1 4.02Å; L312-L325 HydrophobicContact CG-CG 4.48Å; L312-L325 PolarHBondContact O-N 2.89Å; A314-L325 HydrophobicContact CB-CD1 3.9Å; L323-L325 HydrophobicContact CB-CD2 4.36Å; L325-D327 PolarHBondContact O-N 2.93Å; L325-Y366 HydrophobicContact CD1-CE1 4.29Å; L325-P582 HydrophobicContact CD1-CG 4.4Å; L325-P582 HydrophobicContact CD2-CB 4.32Å; L325-P582 HydrophobicContact CD2-CG 3.75Å; L325-L587 HydrophobicContact CD2-CD1 4.44Å; L325-L587 HydrophobicContact CD2-CD2 3.89Å
326	A	96.9	Very high	95.7	Very high	26 Å²	26	44 Å²	44	22%	0.215	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.3	135.5	179	0	0	0	0	0	111.7	L312 Y366 N371 W373	L312-A326 VanDerWaalsContact CB-O 3.28Å; L312-A326 WeakPolarHBondContact CB-O 3.27Å; A326-Y366 HydrophobicContact CB-CE2 4.37Å; A326-N371 WeakPolarHBondContact CB-O 3.3Å; A326-N371 WeakPolarHBondContact CB-OD1 3.25Å; A326-N371 PolarHBondContact N-OD1 3.27Å; A326-W373 PolarHBondContact O-NE1 3.39Å
327	D	98	Very high	95.9	Very high	67 Å²	67	44 Å²	44	36%	0.358	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-70.9	146.2	-178.6	-87.6	-15.6	0	0	0	112.9	S310 Y311 R324 L325 Q329 W373	S310-D327 WeakPolarHBondContact O-CA 3.47Å; S310-D327 PolarHBondContact OG-OD2 2.91Å; Y311-D327 WeakPolarHBondContact CA-OD1 3.49Å; R324-D327 IonicContact CZ-OD1 2.77Å; R324-D327 IonicContact NE-OD1 2.73Å; R324-D327 IonicContact NH1-OD1 3.99Å; R324-D327 PolarHBondContact NH1-OD1 3.37Å; R324-D327 IonicContact NH2-OD1 3.6Å; R324-D327 PolarHBondContact NH2-OD1 3.44Å; R324-D327 IonicContact NH2-OD2 3.62Å; R324-D327 PolarHBondContact NH2-OD2 2.81Å; L325-D327 PolarHBondContact O-N 2.93Å; D327-Q329 PolarHBondContact O-N 3.12Å; D327-W373 PolarHBondContact O-NE1 3.09Å
328	L	96.4	Very high	96.1	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-55.6	134.5	164.4	-80.6	172.3	0	0	0	109.6	A301 S310 V330 L335 A346 D364 W373	A301-L328 HydrophobicContact CB-CD1 4.41Å; S310-L328 WeakPolarHBondContact CB-O 3.31Å; S310-L328 WeakPolarHBondContact O-CB 3.24Å; S310-L328 PolarHBondContact O-N 2.95Å; L328-V330 PolarHBondContact O-N 3.16Å; L328-L335 HydrophobicContact CD1-CD1 4.39Å; L328-A346 HydrophobicContact CD2-CB 4.08Å; L328-D364 HydrophobicContact CD2-CB 4.48Å; L328-W373 HydrophobicContact CD2-CD2 3.92Å; L328-W373 HydrophobicContact CD2-CE3 3.84Å; L328-W373 HydrophobicContact CD2-CH2 3.4Å; L328-W373 HydrophobicContact CD2-CZ2 3.46Å; L328-W373 VanDerWaalsContact CD2-CZ2 3.46Å; L328-W373 HydrophobicContact CD2-CZ3 3.6Å; L328-W373 HydrophobicContact CG-CH2 4.11Å; L328-W373 HydrophobicContact CG-CZ2 3.79Å
329	Q	92.9	Very high	96.4	Very high	133 Å²	133	40.1 Å²	40.1	62%	0.621	24%	0.235	S	C	*	.	S	Bend	trans	-59.2	-38.1	178.5	-63.6	-176.1	-1.6	0	0	112.1	D327	D327-Q329 PolarHBondContact O-N 3.12Å
330	V	95.3	Very high	96.5	Very high	72 Å²	72	36.1 Å²	36.1	44%	0.436	21%	0.21	S	C	.	.	S	Bend	trans	-119.3	122.7	175.7	-177.2	0	0	0	0	109.1	L328 R332 N351	L328-V330 PolarHBondContact O-N 3.16Å; V330-R332 HydrophobicContact CG1-CG 4.42Å; V330-R332 WeakPolarHBondContact O-CG 3.4Å; V330-R332 PolarHBondContact O-N 2.9Å; V330-N351 HydrophobicContact CG1-CB 4.24Å
331	P	97.6	Very high	96.2	Very high	41 Å²	41	37.4 Å²	37.4	27%	0.266	21%	0.213	S	C	.	.			trans	-60.3	131.6	175	-22.4	32.4	0	0	0	111.7	S308 L309 N351	S308-P331 WeakPolarHBondContact O-CB 3.41Å; L309-P331 VanDerWaalsContact O-CA 3.31Å; L309-P331 WeakPolarHBondContact O-CA 3.3Å; P331-N351 WeakPolarHBondContact O-CA 3.39Å; P331-N351 WeakPolarHBondContact O-CB 3.41Å; P331-N351 PolarHBondContact O-OD1 2.88Å
332	R	98.1	Very high	96	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	21%	0.21	C	C	.	.			trans	-142.9	145.5	-176.2	-67.6	175	-59.7	172.3	-6.4	111.9	G302 G303 L309 V330 L335 G348 R350 D364	G302-R332 WeakPolarHBondContact CA-O 3.45Å; G303-R332 PolarHBondContact N-O 2.81Å; L309-R332 PolarHBondContact O-N 2.98Å; V330-R332 HydrophobicContact CG1-CG 4.42Å; V330-R332 WeakPolarHBondContact O-CG 3.4Å; V330-R332 PolarHBondContact O-N 2.9Å; R332-L335 HydrophobicContact CB-CD2 4.08Å; R332-L335 VanDerWaalsContact O-CD2 3.24Å; R332-L335 WeakPolarHBondContact O-CD2 3.35Å; R332-G348 WeakPolarHBondContact CD-O 3.31Å; R332-G348 PolarHBondContact NH1-O 3.22Å; R332-R350 WeakPolarHBondContact CA-O 3.14Å; R332-D364 IonicContact CZ-OD2 2.99Å; R332-D364 IonicContact NH1-OD2 3.05Å; R332-D364 PolarHBondContact NH1-OD2 3.2Å; R332-D364 IonicContact NH2-OD2 2.58Å; R332-D364 PolarHBondContact NH2-OD2 2.76Å
333	S	98.3	Very high	95.9	Very high	8 Å²	8	36.6 Å²	36.6	6%	0.056	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-127.8	154.3	171.1	59.6	0	0	0	0	110.3	G303 S308 L335 G349 R350 N352 N384	G303-S333 WeakPolarHBondContact O-CB 3.49Å; S308-S333 PolarHBondContact OG-OG 3.42Å; S333-L335 PolarHBondContact O-N 2.78Å; S333-G349 CarbonylContact O-C 3.54Å; S333-G349 WeakPolarHBondContact O-CA 3.49Å; S333-R350 PolarHBondContact N-O 2.81Å; S333-R350 PolarHBondContact O-N 2.91Å; S333-R350 PolarHBondContact OG-O 3.08Å; S333-N352 PolarHBondContact OG-ND2 3.05Å; S333-N384 PolarHBondContact O-OD1 2.98Å
334	G	98	Very high	96	Very high	13 Å²	13	34.3 Å²	34.3	13%	0.134	20%	0.201	C	C	.	.	S	Bend	trans	67.2	17.3	-175.6	0	0	0	0	0	113.4	R385 I386 G573	G334-R385 VanDerWaalsContact O-CA 3.24Å; G334-R385 WeakPolarHBondContact O-CA 3.43Å; G334-R385 PolarHBondContact O-N 2.65Å; G334-I386 PolarHBondContact O-N 3.08Å; G334-G573 PolarHBondContact N-O 3.37Å
335	L	98.5	Very high	96.1	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	18%	0.184	C	C	.	.			trans	-74.8	161.4	165.8	71.8	152.2	0	0	0	109.9	A301 L328 R332 S333 A346 V347	A301-L335 HydrophobicContact CB-CD1 4.25Å; L328-L335 HydrophobicContact CD1-CD1 4.39Å; R332-L335 HydrophobicContact CB-CD2 4.08Å; R332-L335 VanDerWaalsContact O-CD2 3.24Å; R332-L335 WeakPolarHBondContact O-CD2 3.35Å; S333-L335 PolarHBondContact O-N 2.78Å; L335-A346 HydrophobicContact CD1-CB 3.71Å; L335-V347 WeakPolarHBondContact CA-O 3.4Å; L335-V347 WeakPolarHBondContact CB-O 3.21Å
336	A	98.6	Very high	96.2	Very high	15 Å²	15	29.6 Å²	29.6	12%	0.124	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	165.4	164.4	0	0	0	0	0	109.9	V347 I386 V388	A336-V347 PolarHBondContact N-O 3.01Å; A336-V347 VanDerWaalsContact N-O 3.16Å; A336-V347 PolarHBondContact O-N 3.39Å; A336-I386 HydrophobicContact CB-CG2 3.91Å; A336-V388 HydrophobicContact CB-CB 3.73Å; A336-V388 HydrophobicContact CB-CG2 3.57Å
337	A	98.4	Very high	96.3	Very high	14 Å²	14	28.3 Å²	28.3	12%	0.116	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.2	173.9	0	0	0	0	0	111.8	F344 Y345 A577	A337-F344 HydrophobicContact CB-CE1 3.85Å; A337-F344 HydrophobicContact CB-CE2 3.79Å; A337-F344 HydrophobicContact CB-CZ 3.27Å; A337-Y345 WeakPolarHBondContact CA-O 3.37Å; A337-Y345 WeakPolarHBondContact CB-O 3.44Å; A337-A577 HydrophobicContact CB-CB 4.29Å
338	C	98.3	Very high	96.3	Very high	11 Å²	11	25.1 Å²	25.1	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	169.4	174.3	62.3	0	0	0	0	110.5	Y345 V388 V390	C338-Y345 PolarHBondContact N-O 3.4Å; C338-Y345 VanDerWaalsContact N-O 3.12Å; C338-Y345 PolarHBondContact O-N 2.92Å; C338-V388 HydrophobicContact CB-CG1 3.94Å; C338-V390 HydrophobicContact CB-CG2 3.61Å
339	V	96.6	Very high	96.4	Very high	40 Å²	40	24.9 Å²	24.9	24%	0.242	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.2	179.2	167.2	0	0	0	0	109.9	L343 F344 A577 V578 T579	V339-L343 VanDerWaalsContact CA-O 3.24Å; V339-L343 WeakPolarHBondContact CA-O 3.49Å; V339-F344 HydrophobicContact CG2-CB 4.33Å; V339-F344 HydrophobicContact CG2-CD2 4.12Å; V339-A577 HydrophobicContact CG2-CB 3.66Å; V339-V578 WeakPolarHBondContact CG2-O 3.42Å; V339-T579 HydrophobicContact CG2-CG2 4.27Å
340	I	93.4	Very high	96.7	Very high	14 Å²	14	21 Å²	21	7%	0.072	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.6	172.5	-65.3	168	0	0	0	107.7	G342 L343 Y345 V390 G393 I395 P415	I340-G342 PolarHBondContact O-N 2.81Å; I340-G342 VanDerWaalsContact O-N 3.08Å; I340-L343 PolarHBondContact N-O 2.83Å; I340-L343 VanDerWaalsContact N-O 3.07Å; I340-L343 PolarHBondContact O-N 2.98Å; I340-Y345 HydrophobicContact CB-CE2 4.02Å; I340-V390 HydrophobicContact CD1-CG1 4.15Å; I340-V390 HydrophobicContact CD1-CG2 4.32Å; I340-V390 HydrophobicContact CG1-CG1 3.85Å; I340-V390 HydrophobicContact CG1-CG2 4.17Å; I340-G393 WeakPolarHBondContact CD1-O 3.4Å; I340-I395 HydrophobicContact CD1-CD1 3.89Å; I340-I395 HydrophobicContact CD1-CG1 3.23Å; I340-I395 HydrophobicContact CG1-CG1 4.45Å; I340-P415 HydrophobicContact CD1-CG 3.92Å; I340-P415 HydrophobicContact CG2-CG 4.41Å
341	S	87	Confident	96.8	Very high	64 Å²	64	19.2 Å²	19.2	45%	0.448	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.9	175.3	-57.4	0	0	0	0	114	L343	S341-L343 VanDerWaalsContact C-N 3.31Å; S341-L343 PolarHBondContact O-N 2.82Å
342	G	88.8	Confident	96.7	Very high	29 Å²	29	19 Å²	19	30%	0.299	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-10.2	-179.6	0	0	0	0	0	115.6	I340 T579	I340-G342 PolarHBondContact O-N 2.81Å; I340-G342 VanDerWaalsContact O-N 3.08Å; G342-T579 PolarHBondContact O-OG1 2.84Å
343	L	94.2	Very high	96.4	Very high	48 Å²	48	20 Å²	20	25%	0.251	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	140.1	176.8	-59.6	176.3	0	0	0	110.9	V339 I340 S341 Y345 N367	V339-L343 VanDerWaalsContact CA-O 3.24Å; V339-L343 WeakPolarHBondContact CA-O 3.49Å; I340-L343 PolarHBondContact N-O 2.83Å; I340-L343 VanDerWaalsContact N-O 3.07Å; I340-L343 PolarHBondContact O-N 2.98Å; S341-L343 VanDerWaalsContact C-N 3.31Å; S341-L343 PolarHBondContact O-N 2.82Å; L343-Y345 HydrophobicContact CB-CE2 3.82Å; L343-N367 HydrophobicContact CD2-CB 3.78Å
344	F	97.8	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.2	179.2	178.3	-77.9	0	0	0	109.7	Y299 A301 L312 A337 V339 A346 C365 Y366 W373 A577	Y299-F344 VanDerWaalsContact CB-CE2 3.4Å; Y299-F344 HydrophobicContact CD1-CD2 4.42Å; Y299-F344 HydrophobicContact CG-CD2 4.14Å; Y299-F344 HydrophobicContact CG-CE2 4.33Å; A301-F344 HydrophobicContact CB-CE1 3.72Å; A301-F344 HydrophobicContact CB-CZ 3.67Å; L312-F344 HydrophobicContact CD1-CE1 4.32Å; L312-F344 HydrophobicContact CD1-CZ 4.42Å; A337-F344 HydrophobicContact CB-CE1 3.85Å; A337-F344 HydrophobicContact CB-CE2 3.79Å; A337-F344 HydrophobicContact CB-CZ 3.27Å; V339-F344 HydrophobicContact CG2-CB 4.33Å; V339-F344 HydrophobicContact CG2-CD2 4.12Å; F344-A346 HydrophobicContact CE1-CB 4.35Å; F344-C365 CarbonylContact O-C 3.59Å; F344-C365 WeakPolarHBondContact O-CA 3.29Å; F344-Y366 HydrophobicContact CB-CD1 4.12Å; F344-Y366 PolarHBondContact N-O 3.31Å; F344-Y366 PolarHBondContact O-N 2.87Å; F344-W373 AromaticContact CD1-CH2 3.76Å; F344-W373 HydrophobicContact CD1-CH2 3.76Å; F344-W373 HydrophobicContact CD1-CZ3 4.25Å; F344-W373 AromaticContact CE1-CH2 3.81Å; F344-W373 HydrophobicContact CE1-CH2 3.81Å; F344-A577 HydrophobicContact CD2-CB 3.94Å; F344-A577 HydrophobicContact CE2-CB 3.71Å
345	Y	98.6	Very high	95.4	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.051	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.6	179.8	-69	-95.2	0	0	0	110.7	A337 C338 I340 L343 L363 D364 C365 I395 Y413	A337-Y345 WeakPolarHBondContact CA-O 3.37Å; A337-Y345 WeakPolarHBondContact CB-O 3.44Å; C338-Y345 PolarHBondContact N-O 3.4Å; C338-Y345 VanDerWaalsContact N-O 3.12Å; C338-Y345 PolarHBondContact O-N 2.92Å; I340-Y345 HydrophobicContact CB-CE2 4.02Å; L343-Y345 HydrophobicContact CB-CE2 3.82Å; Y345-L363 HydrophobicContact CD1-CD1 3.79Å; Y345-L363 HydrophobicContact CD1-CD2 4.29Å; Y345-L363 HydrophobicContact CD1-CG 4.08Å; Y345-L363 HydrophobicContact CG-CD1 4.37Å; Y345-D364 CarbonylContact C-O 3.54Å; Y345-D364 VanDerWaalsContact CA-O 3.31Å; Y345-D364 WeakPolarHBondContact CA-O 3.44Å; Y345-C365 HydrophobicContact CD1-CB 3.91Å; Y345-C365 HydrophobicContact CE1-CB 3.63Å; Y345-I395 HydrophobicContact CD1-CD1 3.86Å; Y345-I395 HydrophobicContact CD2-CD1 4.15Å; Y345-I395 HydrophobicContact CE1-CD1 4.37Å; Y345-I395 HydrophobicContact CG-CD1 3.72Å; Y345-Y413 HydrophobicContact CE1-CE1 4.3Å
346	A	98.7	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.1	172	0	0	0	0	0	109.7	L328 L335 F344 D364 W373	L328-A346 HydrophobicContact CD2-CB 4.08Å; L335-A346 HydrophobicContact CD1-CB 3.71Å; F344-A346 HydrophobicContact CE1-CB 4.35Å; A346-D364 PolarHBondContact N-O 3.45Å; A346-D364 PolarHBondContact O-N 2.86Å; A346-W373 HydrophobicContact CB-CH2 3.85Å; A346-W373 HydrophobicContact CB-CZ3 3.77Å
347	V	98.8	Very high	94.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.4	-167	-163.3	0	0	0	0	111	L335 A336 L363 M379 I386 V388 I395 W420	L335-V347 WeakPolarHBondContact CA-O 3.4Å; L335-V347 WeakPolarHBondContact CB-O 3.21Å; A336-V347 PolarHBondContact N-O 3.01Å; A336-V347 VanDerWaalsContact N-O 3.16Å; A336-V347 PolarHBondContact O-N 3.39Å; V347-L363 HydrophobicContact CB-CD1 4.41Å; V347-L363 HydrophobicContact CG1-CD1 4.37Å; V347-L363 HydrophobicContact CG2-CD1 3.7Å; V347-M379 HydrophobicContact CG1-CE 3.96Å; V347-M379 HydrophobicContact CG1-SD 3.76Å; V347-I386 HydrophobicContact CG1-CD1 3.86Å; V347-I386 WeakPolarHBondContact O-CG2 3.19Å; V347-V388 HydrophobicContact CB-CG2 3.93Å; V347-V388 HydrophobicContact CG1-CG2 4.11Å; V347-V388 HydrophobicContact CG2-CG2 4.04Å; V347-I395 HydrophobicContact CG2-CG2 4.38Å; V347-W420 HydrophobicContact CG1-CH2 4.25Å; V347-W420 HydrophobicContact CG1-CZ2 4.42Å
348	G	98.6	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.			trans	62.5	-141.7	172	0	0	0	0	0	114	R332 S360 A362	R332-G348 WeakPolarHBondContact CD-O 3.31Å; R332-G348 PolarHBondContact NH1-O 3.22Å; G348-S360 WeakPolarHBondContact CA-O 3.26Å; G348-A362 PolarHBondContact N-O 3.24Å
349	G	98.4	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.			trans	94.5	-168.7	-175.7	0	0	0	0	0	113.6	S333 S360 R383	S333-G349 CarbonylContact O-C 3.54Å; S333-G349 WeakPolarHBondContact O-CA 3.49Å; G349-S360 PolarHBondContact O-N 2.94Å; G349-R383 PolarHBondContact N-O 3.32Å
350	R	98.3	Very high	94.8	Very high	52 Å²	52	43.6 Å²	43.6	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.3	176.2	176.5	178.8	-70.9	178.7	-3.8	110	S308 R332 S333 N352 M358 D359 N384	S308-R350 PolarHBondContact OG-O 2.94Å; S308-R350 VanDerWaalsContact OG-O 3.04Å; R332-R350 WeakPolarHBondContact CA-O 3.14Å; S333-R350 PolarHBondContact N-O 2.81Å; S333-R350 PolarHBondContact O-N 2.91Å; S333-R350 PolarHBondContact OG-O 3.08Å; R350-N352 WeakPolarHBondContact CD-OD1 3.39Å; R350-N352 WeakPolarHBondContact CG-OD1 3.34Å; R350-M358 WeakPolarHBondContact CA-O 3.29Å; R350-D359 IonicContact CZ-OD1 3.55Å; R350-D359 IonicContact CZ-OD2 3.4Å; R350-D359 IonicContact NE-OD1 2.8Å; R350-D359 PolarHBondContact NE-OD1 3.17Å; R350-D359 IonicContact NE-OD2 3.87Å; R350-D359 VanDerWaalsContact NH2-CG 3.33Å; R350-D359 IonicContact NH2-OD1 2.92Å; R350-D359 PolarHBondContact NH2-OD1 3.39Å; R350-D359 IonicContact NH2-OD2 3.88Å; R350-D359 PolarHBondContact NH2-OD2 3.31Å; R350-N384 HydrophobicContact CB-CB 3.93Å; R350-N384 VanDerWaalsContact CB-CG 3.48Å; R350-N384 PolarHBondContact NE-ND2 2.93Å
351	N	97.8	Very high	95	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	108.5	162.8	-174	10.1	0	0	0	108.7	V330 P331 N357 M358	V330-N351 HydrophobicContact CG1-CB 4.24Å; P331-N351 WeakPolarHBondContact O-CA 3.39Å; P331-N351 WeakPolarHBondContact O-CB 3.41Å; P331-N351 PolarHBondContact O-OD1 2.88Å; N351-N357 WeakPolarHBondContact O-CA 3.24Å; N351-M358 PolarHBondContact N-O 2.98Å; N351-M358 PolarHBondContact O-N 3.36Å
352	N	95.3	Very high	95.6	Very high	35 Å²	35	43.7 Å²	43.7	19%	0.187	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	102	169.7	-65.6	-55.7	0	0	0	107.9	Y304 Q307 S308 S333 R350 N357	Y304-N352 HydrophobicContact CD2-CB 4.3Å; Y304-N352 HydrophobicContact CE2-CB 3.96Å; Q307-N352 WeakPolarHBondContact CA-O 3.35Å; Q307-N352 WeakPolarHBondContact CB-O 3.3Å; S308-N352 PolarHBondContact N-O 2.84Å; S308-N352 PolarHBondContact OG-N 3.44Å; S333-N352 PolarHBondContact OG-ND2 3.05Å; R350-N352 WeakPolarHBondContact CD-OD1 3.39Å; R350-N352 WeakPolarHBondContact CG-OD1 3.34Å; N352-N357 WeakPolarHBondContact CA-OD1 3.14Å; N352-N357 VanDerWaalsContact OD1-CG 3.3Å; N352-N357 PolarHBondContact OD1-OD1 3.46Å; N352-N357 VanDerWaalsContact OD1-OD1 3.11Å
353	A	92.1	Very high	96	Very high	22 Å²	22	42.4 Å²	42.4	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	161.3	-179.9	0	0	0	0	0	110.6	D355 G356	A353-D355 WeakPolarHBondContact CB-OD1 3.43Å; A353-D355 PolarHBondContact O-N 3.45Å; A353-D355 VanDerWaalsContact O-N 3.16Å; A353-G356 PolarHBondContact N-O 3.19Å; A353-G356 VanDerWaalsContact N-O 3.12Å; A353-G356 CarbonylContact O-C 3.57Å; A353-G356 PolarHBondContact O-N 3.08Å; A353-G356 VanDerWaalsContact O-N 3.07Å; A353-G356 VanDerWaalsContact O-O 3.1Å
354	P	88.4	Confident	96.2	Very high	124 Å²	124	40.8 Å²	40.8	81%	0.805	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.3	-177.4	-24.7	35.1	0	0	0	114.6
355	D	86.9	Confident	96.3	Very high	148 Å²	148	41.2 Å²	41.2	79%	0.791	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.3	177.9	58.8	-17.3	0	0	0	113.6	A353	A353-D355 WeakPolarHBondContact CB-OD1 3.43Å; A353-D355 PolarHBondContact O-N 3.45Å; A353-D355 VanDerWaalsContact O-N 3.16Å
356	G	90.2	Very high	96.2	Very high	37 Å²	37	40.6 Å²	40.6	38%	0.381	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	171.2	175	0	0	0	0	0	114.2	A353	A353-G356 PolarHBondContact N-O 3.19Å; A353-G356 VanDerWaalsContact N-O 3.12Å; A353-G356 CarbonylContact O-C 3.57Å; A353-G356 PolarHBondContact O-N 3.08Å; A353-G356 VanDerWaalsContact O-N 3.07Å; A353-G356 VanDerWaalsContact O-O 3.1Å
357	N	94.5	Very high	96	Very high	110 Å²	110	42.6 Å²	42.6	59%	0.588	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.8	175.4	-66.8	-18.7	0	0	0	109.7	N351 N352	N351-N357 WeakPolarHBondContact O-CA 3.24Å; N352-N357 WeakPolarHBondContact CA-OD1 3.14Å; N352-N357 VanDerWaalsContact OD1-CG 3.3Å; N352-N357 PolarHBondContact OD1-OD1 3.46Å; N352-N357 VanDerWaalsContact OD1-OD1 3.11Å
358	M	96.6	Very high	95.7	Very high	144 Å²	144	42.8 Å²	42.8	71%	0.709	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.5	178.3	-166.6	173.7	-172.9	0	0	110.8	R350 N351	R350-M358 WeakPolarHBondContact CA-O 3.29Å; N351-M358 PolarHBondContact N-O 2.98Å; N351-M358 PolarHBondContact O-N 3.36Å
359	D	98.1	Very high	95.2	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.6	169.6	-69.4	-45	0	0	0	109.5	R350 P382 N384 H402 G403	R350-D359 IonicContact CZ-OD1 3.55Å; R350-D359 IonicContact CZ-OD2 3.4Å; R350-D359 IonicContact NE-OD1 2.8Å; R350-D359 PolarHBondContact NE-OD1 3.17Å; R350-D359 IonicContact NE-OD2 3.87Å; R350-D359 VanDerWaalsContact NH2-CG 3.33Å; R350-D359 IonicContact NH2-OD1 2.92Å; R350-D359 PolarHBondContact NH2-OD1 3.39Å; R350-D359 IonicContact NH2-OD2 3.88Å; R350-D359 PolarHBondContact NH2-OD2 3.31Å; D359-P382 HydrophobicContact CB-CB 3.62Å; D359-N384 WeakPolarHBondContact OD1-CB 3.42Å; D359-H402 WeakPolarHBondContact OD2-CA 3.42Å; D359-H402 IonicContact OD2-CD2 3.23Å; D359-G403 PolarHBondContact OD2-N 3.22Å
360	S	98.1	Very high	94.9	Very high	20 Å²	20	52.3 Å²	52.3	14%	0.14	30%	0.295	C	S	.	.			trans	-107.8	137.6	-175.3	-173.3	0	0	0	0	111.5	G348 G349 A362 P382 R383	G348-S360 WeakPolarHBondContact CA-O 3.26Å; G349-S360 PolarHBondContact O-N 2.94Å; S360-A362 VanDerWaalsContact OG-CB 3.29Å; S360-A362 WeakPolarHBondContact OG-CB 3.41Å; S360-A362 PolarHBondContact OG-N 2.95Å; S360-A362 VanDerWaalsContact OG-N 3.1Å; S360-P382 WeakPolarHBondContact O-CA 3.45Å; S360-R383 PolarHBondContact O-N 3.38Å
361	N	98.4	Very high	94.7	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	29%	0.291	S	S	.	.			trans	-102.7	10	165	67.4	-22.4	0	0	0	112.3	P378 M379 V381 P382	N361-P378 CarbonylContact O-C 3.57Å; N361-P378 WeakPolarHBondContact O-CA 3.37Å; N361-M379 HydrophobicContact CB-CB 4.12Å; N361-M379 WeakPolarHBondContact CB-O 3.45Å; N361-M379 PolarHBondContact ND2-O 2.8Å; N361-M379 PolarHBondContact O-N 3.22Å; N361-V381 WeakPolarHBondContact CB-O 3.4Å; N361-P382 HydrophobicContact CB-CB 4.42Å; N361-P382 HydrophobicContact CB-CG 4.24Å
362	A	98.6	Very high	94.6	Very high	25 Å²	25	51.9 Å²	51.9	21%	0.207	30%	0.3	C	S	.	.			trans	-71.5	145	-173.9	0	0	0	0	0	112.1	G348 S360	G348-A362 PolarHBondContact N-O 3.24Å; S360-A362 VanDerWaalsContact OG-CB 3.29Å; S360-A362 WeakPolarHBondContact OG-CB 3.41Å; S360-A362 PolarHBondContact OG-N 2.95Å; S360-A362 VanDerWaalsContact OG-N 3.1Å
363	L	98.7	Very high	94.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.9	163.8	176.6	65.7	0	0	0	106.9	Y345 V347 C376 I395 Y413 W420	Y345-L363 HydrophobicContact CD1-CD1 3.79Å; Y345-L363 HydrophobicContact CD1-CD2 4.29Å; Y345-L363 HydrophobicContact CD1-CG 4.08Å; Y345-L363 HydrophobicContact CG-CD1 4.37Å; V347-L363 HydrophobicContact CB-CD1 4.41Å; V347-L363 HydrophobicContact CG1-CD1 4.37Å; V347-L363 HydrophobicContact CG2-CD1 3.7Å; L363-C376 HydrophobicContact CB-CB 4.16Å; L363-C376 HydrophobicContact CD2-CB 3.7Å; L363-C376 HydrophobicContact CG-CB 3.85Å; L363-C376 PolarHBondContact O-N 3.35Å; L363-I395 HydrophobicContact CD1-CD1 4.09Å; L363-I395 HydrophobicContact CD2-CD1 4.45Å; L363-Y413 HydrophobicContact CD2-CD1 3.66Å; L363-Y413 HydrophobicContact CD2-CD2 3.67Å; L363-Y413 HydrophobicContact CD2-CE1 3.54Å; L363-Y413 HydrophobicContact CD2-CE2 3.55Å; L363-Y413 HydrophobicContact CD2-CG 3.72Å; L363-Y413 VanDerWaalsContact CD2-CZ 3.49Å; L363-W420 HydrophobicContact CB-CZ2 4.23Å; L363-W420 HydrophobicContact CD1-CZ2 4.3Å; L363-W420 HydrophobicContact CD2-CZ2 3.83Å; L363-W420 HydrophobicContact CG-CZ2 4.35Å
364	D	98.5	Very high	94.9	Very high	14 Å²	14	54.7 Å²	54.7	8%	0.075	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.4	178.4	-58.2	-74.9	0	0	0	110	L328 R332 Y345 A346 W373	L328-D364 HydrophobicContact CD2-CB 4.48Å; R332-D364 IonicContact CZ-OD2 2.99Å; R332-D364 IonicContact NH1-OD2 3.05Å; R332-D364 PolarHBondContact NH1-OD2 3.2Å; R332-D364 IonicContact NH2-OD2 2.58Å; R332-D364 PolarHBondContact NH2-OD2 2.76Å; Y345-D364 CarbonylContact C-O 3.54Å; Y345-D364 VanDerWaalsContact CA-O 3.31Å; Y345-D364 WeakPolarHBondContact CA-O 3.44Å; A346-D364 PolarHBondContact N-O 3.45Å; A346-D364 PolarHBondContact O-N 2.86Å; D364-W373 HydrophobicContact CB-CE3 3.64Å; D364-W373 HydrophobicContact CB-CZ3 3.88Å; D364-W373 WeakPolarHBondContact O-CZ3 3.11Å
365	C	98.1	Very high	95.4	Very high	10 Å²	10	53 Å²	53	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.9	-180	178.3	0	0	0	0	110.5	F344 Y345 W373 H374 C376	F344-C365 CarbonylContact O-C 3.59Å; F344-C365 WeakPolarHBondContact O-CA 3.29Å; Y345-C365 HydrophobicContact CD1-CB 3.91Å; Y345-C365 HydrophobicContact CE1-CB 3.63Å; C365-W373 CarbonylContact O-C 3.49Å; C365-W373 WeakPolarHBondContact O-CA 3.48Å; C365-H374 PolarHBondContact N-O 3.07Å; C365-H374 PolarHBondContact O-N 3.47Å; C365-C376 VanDerWaalsContact CB-SG 3.58Å
366	Y	97.9	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.6	173.5	173.9	-98.4	0	0	0	110.4	Y299 L312 L325 A326 F344 P368 N371 C372 W373	Y299-Y366 HydrophobicContact CE1-CD1 4.4Å; Y299-Y366 AromaticContact CE1-CE1 3.82Å; Y299-Y366 HydrophobicContact CE1-CE1 3.82Å; L312-Y366 HydrophobicContact CD2-CD1 3.89Å; L312-Y366 HydrophobicContact CD2-CD2 3.56Å; L312-Y366 HydrophobicContact CD2-CE1 3.85Å; L312-Y366 HydrophobicContact CD2-CE2 3.52Å; L312-Y366 HydrophobicContact CD2-CG 3.75Å; L325-Y366 HydrophobicContact CD1-CE1 4.29Å; A326-Y366 HydrophobicContact CB-CE2 4.37Å; F344-Y366 HydrophobicContact CB-CD1 4.12Å; F344-Y366 PolarHBondContact N-O 3.31Å; F344-Y366 PolarHBondContact O-N 2.87Å; Y366-P368 HydrophobicContact CD1-CG 4.08Å; Y366-P368 HydrophobicContact CE1-CB 4.06Å; Y366-P368 HydrophobicContact CE1-CG 3.86Å; Y366-P368 WeakPolarHBondContact O-CD 3.4Å; Y366-N371 WeakPolarHBondContact CE2-OD1 3.36Å; Y366-N371 PolarHBondContact OH-OD1 3.37Å; Y366-C372 WeakPolarHBondContact CA-O 3.41Å; Y366-W373 AromaticContact CD2-CD1 3.98Å; Y366-W373 HydrophobicContact CD2-CD2 4.07Å; Y366-W373 AromaticContact CD2-CE2 3.8Å; Y366-W373 HydrophobicContact CD2-CG 4.2Å; Y366-W373 HydrophobicContact CD2-CZ2 4.33Å; Y366-W373 AromaticContact CD2-NE1 3.71Å; Y366-W373 HydrophobicContact CG-CD2 4.35Å; Y366-W373 HydrophobicContact CG-CZ2 4.31Å
367	N	94.4	Very high	96.3	Very high	42 Å²	42	46.6 Å²	46.6	23%	0.225	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.3	174.3	-178.4	-16.3	0	0	0	110.6	L343 M369 N370 N371 C372	L343-N367 HydrophobicContact CD2-CB 3.78Å; N367-M369 PolarHBondContact O-N 2.9Å; N367-M369 VanDerWaalsContact O-N 3.14Å; N367-M369 VanDerWaalsContact OD1-CB 3.3Å; N367-M369 WeakPolarHBondContact OD1-CB 3.36Å; N367-M369 PolarHBondContact OD1-N 3.24Å; N367-N370 WeakPolarHBondContact CB-OD1 3.28Å; N367-N370 PolarHBondContact O-N 2.86Å; N367-N370 PolarHBondContact O-OD1 3.36Å; N367-N370 VanDerWaalsContact O-OD1 3.1Å; N367-N371 PolarHBondContact O-N 3.45Å; N367-C372 PolarHBondContact N-O 3.29Å
368	P	92.5	Very high	96.5	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.6	179.3	-24.3	34.5	0	0	0	114.8	Y366 T579 P582 C583	Y366-P368 HydrophobicContact CD1-CG 4.08Å; Y366-P368 HydrophobicContact CE1-CB 4.06Å; Y366-P368 HydrophobicContact CE1-CG 3.86Å; Y366-P368 WeakPolarHBondContact O-CD 3.4Å; P368-T579 HydrophobicContact CG-CG2 3.98Å; P368-P582 HydrophobicContact CB-CB 4Å; P368-P582 CarbonylContact O-C 3.59Å; P368-P582 WeakPolarHBondContact O-CA 3.42Å; P368-P582 VanDerWaalsContact O-CB 3.22Å; P368-P582 WeakPolarHBondContact O-CB 3.48Å; P368-C583 PolarHBondContact O-N 2.69Å
369	M	88.6	Confident	96.6	Very high	125 Å²	125	38.1 Å²	38.1	62%	0.616	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.9	-176	-59.6	-54.1	-65.5	0	0	113.4	N367 C583	N367-M369 PolarHBondContact O-N 2.9Å; N367-M369 VanDerWaalsContact O-N 3.14Å; N367-M369 VanDerWaalsContact OD1-CB 3.3Å; N367-M369 WeakPolarHBondContact OD1-CB 3.36Å; N367-M369 PolarHBondContact OD1-N 3.24Å; M369-C583 HydrophobicContact CE-CB 4.12Å; M369-C583 VanDerWaalsContact O-CB 3.26Å; M369-C583 WeakPolarHBondContact O-CB 3.49Å; M369-C583 HydrophobicContact SD-CB 4.45Å
370	N	91.1	Very high	96.6	Very high	75 Å²	75	40.7 Å²	40.7	40%	0.401	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-0.4	179.3	64.4	13.2	0	0	0	113.6	N367 C372	N367-N370 WeakPolarHBondContact CB-OD1 3.28Å; N367-N370 PolarHBondContact O-N 2.86Å; N367-N370 PolarHBondContact O-OD1 3.36Å; N367-N370 VanDerWaalsContact O-OD1 3.1Å; N370-C372 VanDerWaalsContact C-N 3.32Å; N370-C372 PolarHBondContact O-N 3.23Å; N370-C372 PolarHBondContact O-SG 2.92Å; N370-C372 WeakPolarHBondContact OD1-CB 3.35Å; N370-C372 PolarHBondContact OD1-N 2.99Å
371	N	94.3	Very high	96.6	Very high	22 Å²	22	41.6 Å²	41.6	12%	0.118	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	42.3	179.9	-171.5	41.6	0	0	0	112.6	A326 Y366 N367	A326-N371 WeakPolarHBondContact CB-O 3.3Å; A326-N371 WeakPolarHBondContact CB-OD1 3.25Å; A326-N371 PolarHBondContact N-OD1 3.27Å; Y366-N371 WeakPolarHBondContact CE2-OD1 3.36Å; Y366-N371 PolarHBondContact OH-OD1 3.37Å; N367-N371 PolarHBondContact O-N 3.45Å
372	C	95.4	Very high	96.6	Very high	54 Å²	54	40 Å²	40	37%	0.365	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.8	-178.4	-68.4	0	0	0	0	112.6	Y366 N367 N370	Y366-C372 WeakPolarHBondContact CA-O 3.41Å; N367-C372 PolarHBondContact N-O 3.29Å; N370-C372 VanDerWaalsContact C-N 3.32Å; N370-C372 PolarHBondContact O-N 3.23Å; N370-C372 PolarHBondContact O-SG 2.92Å; N370-C372 WeakPolarHBondContact OD1-CB 3.35Å; N370-C372 PolarHBondContact OD1-N 2.99Å
373	W	97.8	Very high	96.6	Very high	21 Å²	21	38.8 Å²	38.8	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.1	169.5	-70.1	95.4	0	0	0	111.3	L312 A326 D327 L328 F344 A346 D364 C365 Y366	L312-W373 HydrophobicContact CB-CZ2 4.25Å; L312-W373 HydrophobicContact CD1-CZ2 4.02Å; L312-W373 HydrophobicContact CD2-CZ2 3.68Å; L312-W373 HydrophobicContact CG-CZ2 4.18Å; A326-W373 PolarHBondContact O-NE1 3.39Å; D327-W373 PolarHBondContact O-NE1 3.09Å; L328-W373 HydrophobicContact CD2-CD2 3.92Å; L328-W373 HydrophobicContact CD2-CE3 3.84Å; L328-W373 HydrophobicContact CD2-CH2 3.4Å; L328-W373 HydrophobicContact CD2-CZ2 3.46Å; L328-W373 VanDerWaalsContact CD2-CZ2 3.46Å; L328-W373 HydrophobicContact CD2-CZ3 3.6Å; L328-W373 HydrophobicContact CG-CH2 4.11Å; L328-W373 HydrophobicContact CG-CZ2 3.79Å; F344-W373 AromaticContact CD1-CH2 3.76Å; F344-W373 HydrophobicContact CD1-CH2 3.76Å; F344-W373 HydrophobicContact CD1-CZ3 4.25Å; F344-W373 AromaticContact CE1-CH2 3.81Å; F344-W373 HydrophobicContact CE1-CH2 3.81Å; A346-W373 HydrophobicContact CB-CH2 3.85Å; A346-W373 HydrophobicContact CB-CZ3 3.77Å; D364-W373 HydrophobicContact CB-CE3 3.64Å; D364-W373 HydrophobicContact CB-CZ3 3.88Å; D364-W373 WeakPolarHBondContact O-CZ3 3.11Å; C365-W373 CarbonylContact O-C 3.49Å; C365-W373 WeakPolarHBondContact O-CA 3.48Å; Y366-W373 AromaticContact CD2-CD1 3.98Å; Y366-W373 HydrophobicContact CD2-CD2 4.07Å; Y366-W373 AromaticContact CD2-CE2 3.8Å; Y366-W373 HydrophobicContact CD2-CG 4.2Å; Y366-W373 HydrophobicContact CD2-CZ2 4.33Å; Y366-W373 AromaticContact CD2-NE1 3.71Å; Y366-W373 HydrophobicContact CG-CD2 4.35Å; Y366-W373 HydrophobicContact CG-CZ2 4.31Å
374	H	96.8	Very high	96.6	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.44	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.1	173.8	-59.8	81.3	0	0	0	109	C365	C365-H374 PolarHBondContact N-O 3.07Å; C365-H374 PolarHBondContact O-N 3.47Å
375	P	97.8	Very high	96.6	Very high	90 Å²	90	42.4 Å²	42.4	58%	0.584	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.4	172.7	29.7	-33.5	0	0	0	110
376	C	98.1	Very high	96.7	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.176	24%	0.24	C	C	.	.			trans	-107.4	177.9	170.1	-62.8	0	0	0	0	110	L363 C365 Y413	L363-C376 HydrophobicContact CB-CB 4.16Å; L363-C376 HydrophobicContact CD2-CB 3.7Å; L363-C376 HydrophobicContact CG-CB 3.85Å; L363-C376 PolarHBondContact O-N 3.35Å; C365-C376 VanDerWaalsContact CB-SG 3.58Å; C376-Y413 HydrophobicContact CB-CE2 4.5Å
377	A	98.4	Very high	96.7	Very high	23 Å²	23	42.6 Å²	42.6	19%	0.19	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-53.5	128.9	174.4	0	0	0	0	0	110.8	Y413 D418 W420	A377-Y413 HydrophobicContact CB-CE2 4.4Å; A377-D418 WeakPolarHBondContact CB-O 3.41Å; A377-D418 VanDerWaalsContact CB-OD1 3.32Å; A377-D418 WeakPolarHBondContact CB-OD1 3.38Å; A377-D418 PolarHBondContact N-OD1 3.37Å; A377-W420 VanDerWaalsContact O-CD1 3.27Å; A377-W420 PolarHBondContact O-NE1 3.44Å
378	P	98.6	Very high	96.9	Very high	74 Å²	74	41.6 Å²	41.6	48%	0.481	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-75.2	154.3	-179.5	31.6	-35.5	0	0	0	111	N361 W420	N361-P378 CarbonylContact O-C 3.57Å; N361-P378 WeakPolarHBondContact O-CA 3.37Å; P378-W420 VanDerWaalsContact O-CD1 3.23Å
379	M	98.8	Very high	97.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.5	156.2	171.6	-70	177.4	-62.1	0	0	111.4	V347 N361 V381 R383 I386 A397 E411 W420	V347-M379 HydrophobicContact CG1-CE 3.96Å; V347-M379 HydrophobicContact CG1-SD 3.76Å; N361-M379 HydrophobicContact CB-CB 4.12Å; N361-M379 WeakPolarHBondContact CB-O 3.45Å; N361-M379 PolarHBondContact ND2-O 2.8Å; N361-M379 PolarHBondContact O-N 3.22Å; M379-V381 PolarHBondContact O-N 3.25Å; M379-R383 HydrophobicContact CE-CB 4.16Å; M379-R383 HydrophobicContact CE-CG 4.35Å; M379-R383 HydrophobicContact SD-CG 4.45Å; M379-I386 HydrophobicContact CE-CD1 4.17Å; M379-I386 HydrophobicContact SD-CD1 3.91Å; M379-A397 HydrophobicContact SD-CB 3.5Å; M379-A397 VanDerWaalsContact SD-CB 3.5Å; M379-E411 WeakPolarHBondContact CA-OE2 3.49Å; M379-E411 VanDerWaalsContact CB-OE2 3.25Å; M379-E411 WeakPolarHBondContact CB-OE2 3.25Å; M379-E411 HydrophobicContact CG-CG 4.37Å; M379-W420 HydrophobicContact CG-CD2 3.83Å; M379-W420 VanDerWaalsContact CG-CE2 3.43Å; M379-W420 HydrophobicContact CG-CE3 4.19Å; M379-W420 HydrophobicContact CG-CG 4.48Å; M379-W420 HydrophobicContact CG-CH2 3.82Å; M379-W420 HydrophobicContact CG-CZ2 3.42Å; M379-W420 VanDerWaalsContact CG-CZ2 3.42Å; M379-W420 HydrophobicContact CG-CZ3 4.19Å; M379-W420 HydrophobicContact SD-CH2 4.05Å; M379-W420 HydrophobicContact SD-CZ2 4.11Å
380	S	98.2	Very high	97.6	Very high	75 Å²	75	37.9 Å²	37.9	52%	0.524	22%	0.223	S	C	.	.	S	Bend	trans	-60.4	-29	178.1	65.8	0	0	0	0	113.5	E411	S380-E411 PolarHBondContact N-OE2 2.83Å; S380-E411 PolarHBondContact OG-OE1 3Å; S380-E411 PolarHBondContact OG-OE2 3.12Å
381	V	98.3	Very high	97.9	Very high	38 Å²	38	34.5 Å²	34.5	23%	0.23	21%	0.205	C	C	.	.	S	Bend	trans	-140.1	151.8	179.5	-63	0	0	0	0	111.3	N361 M379 R383	N361-V381 WeakPolarHBondContact CB-O 3.4Å; M379-V381 PolarHBondContact O-N 3.25Å; V381-R383 HydrophobicContact CG2-CG 4.16Å
382	P	98.7	Very high	97.8	Very high	22 Å²	22	36 Å²	36	14%	0.143	21%	0.212	C	C	.	.			trans	-64.3	143.1	169.9	-23.2	35.1	0	0	0	112.6	D359 S360 N361 H402 H407	D359-P382 HydrophobicContact CB-CB 3.62Å; S360-P382 WeakPolarHBondContact O-CA 3.45Å; N361-P382 HydrophobicContact CB-CB 4.42Å; N361-P382 HydrophobicContact CB-CG 4.24Å; P382-H402 HydrophobicContact CB-CB 4.21Å; P382-H407 PolarHBondContact O-NE2 3.38Å
383	R	98.7	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.211	C	C	.	.			trans	-141.2	95.8	-176	-63.9	177.9	-174.8	-95.6	5.6	111.2	G349 S360 M379 V381 I386 G399 S409 E411	G349-R383 PolarHBondContact N-O 3.32Å; S360-R383 PolarHBondContact O-N 3.38Å; M379-R383 HydrophobicContact CE-CB 4.16Å; M379-R383 HydrophobicContact CE-CG 4.35Å; M379-R383 HydrophobicContact SD-CG 4.45Å; V381-R383 HydrophobicContact CG2-CG 4.16Å; R383-I386 HydrophobicContact CB-CB 4.05Å; R383-I386 HydrophobicContact CB-CD1 3.78Å; R383-I386 HydrophobicContact CB-CG1 4.01Å; R383-I386 HydrophobicContact CG-CD1 4.39Å; R383-G399 WeakPolarHBondContact CD-O 3.3Å; R383-G399 WeakPolarHBondContact CG-O 3.43Å; R383-G399 PolarHBondContact NH1-O 3.13Å; R383-S409 PolarHBondContact NH1-O 3.14Å; R383-S409 PolarHBondContact NH1-OG 3.48Å; R383-S409 PolarHBondContact NH2-O 2.85Å; R383-S409 PolarHBondContact NH2-OG 3.17Å; R383-E411 IonicContact CZ-OE1 2.83Å; R383-E411 VanDerWaalsContact CZ-OE1 3.31Å; R383-E411 IonicContact NE-OE1 2.77Å; R383-E411 PolarHBondContact NE-OE1 2.93Å; R383-E411 IonicContact NH2-OE1 2.69Å; R383-E411 PolarHBondContact NH2-OE1 2.82Å
384	N	98.7	Very high	97.6	Very high	14 Å²	14	35.1 Å²	35.1	8%	0.075	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-88	146.9	169.1	177	34.1	0	0	0	111.8	S333 R350 D359 I386 G400 S401	S333-N384 PolarHBondContact O-OD1 2.98Å; R350-N384 HydrophobicContact CB-CB 3.93Å; R350-N384 VanDerWaalsContact CB-CG 3.48Å; R350-N384 PolarHBondContact NE-ND2 2.93Å; D359-N384 WeakPolarHBondContact OD1-CB 3.42Å; N384-I386 PolarHBondContact O-N 2.96Å; N384-G400 CarbonylContact O-C 3.52Å; N384-G400 WeakPolarHBondContact O-CA 3.37Å; N384-S401 PolarHBondContact N-O 2.97Å; N384-S401 PolarHBondContact O-N 3.01Å
385	R	98.3	Very high	97.7	Very high	77 Å²	77	30.6 Å²	30.6	29%	0.291	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.1	-172.4	-55.5	-176	72.4	-165.6	2.8	111.1	G334 G432	G334-R385 VanDerWaalsContact O-CA 3.24Å; G334-R385 WeakPolarHBondContact O-CA 3.43Å; G334-R385 PolarHBondContact O-N 2.65Å; R385-G432 PolarHBondContact O-N 3.2Å
386	I	98.7	Very high	97.8	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.056	17%	0.165	C	C	.	.			trans	-76.5	148.8	-178.2	-171.1	-179.1	0	0	0	111.1	G334 A336 V347 M379 R383 N384 V388 A397	G334-I386 PolarHBondContact O-N 3.08Å; A336-I386 HydrophobicContact CB-CG2 3.91Å; V347-I386 HydrophobicContact CG1-CD1 3.86Å; V347-I386 WeakPolarHBondContact O-CG2 3.19Å; M379-I386 HydrophobicContact CE-CD1 4.17Å; M379-I386 HydrophobicContact SD-CD1 3.91Å; R383-I386 HydrophobicContact CB-CB 4.05Å; R383-I386 HydrophobicContact CB-CD1 3.78Å; R383-I386 HydrophobicContact CB-CG1 4.01Å; R383-I386 HydrophobicContact CG-CD1 4.39Å; N384-I386 PolarHBondContact O-N 2.96Å; I386-V388 HydrophobicContact CD1-CG2 4.1Å; I386-V388 HydrophobicContact CG1-CG2 4.34Å; I386-A397 HydrophobicContact CD1-CB 3.77Å
387	G	98.6	Very high	97.8	Very high	4 Å²	4	25.3 Å²	25.3	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.2	163.9	0	0	0	0	0	111.2	V398	G387-V398 PolarHBondContact N-O 3.4Å; G387-V398 VanDerWaalsContact N-O 3.14Å; G387-V398 WeakPolarHBondContact O-CB 3.18Å; G387-V398 PolarHBondContact O-N 3.39Å
388	V	98.8	Very high	97.8	Very high	20 Å²	20	24.2 Å²	24.2	12%	0.121	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.3	179.4	170.1	0	0	0	0	111.1	A336 C338 V347 I386 I395 Y396	A336-V388 HydrophobicContact CB-CB 3.73Å; A336-V388 HydrophobicContact CB-CG2 3.57Å; C338-V388 HydrophobicContact CB-CG1 3.94Å; V347-V388 HydrophobicContact CB-CG2 3.93Å; V347-V388 HydrophobicContact CG1-CG2 4.11Å; V347-V388 HydrophobicContact CG2-CG2 4.04Å; I386-V388 HydrophobicContact CD1-CG2 4.1Å; I386-V388 HydrophobicContact CG1-CG2 4.34Å; V388-I395 HydrophobicContact CG1-CG2 3.55Å; V388-Y396 VanDerWaalsContact CA-O 3.28Å; V388-Y396 WeakPolarHBondContact CA-O 3.13Å
389	G	98.3	Very high	97.8	Very high	8 Å²	8	20.7 Å²	20.7	8%	0.082	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.9	169.4	0	0	0	0	0	111.2	Y396	G389-Y396 PolarHBondContact N-O 3.38Å; G389-Y396 PolarHBondContact O-N 3.33Å
390	V	97.9	Very high	97.8	Very high	43 Å²	43	20.5 Å²	20.5	26%	0.261	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.3	179.9	177.7	0	0	0	0	109.8	C338 I340 M394	C338-V390 HydrophobicContact CB-CG2 3.61Å; I340-V390 HydrophobicContact CD1-CG1 4.15Å; I340-V390 HydrophobicContact CD1-CG2 4.32Å; I340-V390 HydrophobicContact CG1-CG1 3.85Å; I340-V390 HydrophobicContact CG1-CG2 4.17Å; V390-M394 VanDerWaalsContact CA-O 3.3Å; V390-M394 WeakPolarHBondContact CA-O 3.41Å
391	I	96.1	Very high	97.8	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.026	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.9	172.3	-61.9	169.2	0	0	0	106.9	G393 M394 Y396 V437 R440 L442 P462	I391-G393 VanDerWaalsContact C-N 3.26Å; I391-G393 PolarHBondContact O-N 2.98Å; I391-M394 PolarHBondContact N-O 3.43Å; I391-M394 VanDerWaalsContact N-O 3.12Å; I391-M394 VanDerWaalsContact O-CB 3.28Å; I391-M394 WeakPolarHBondContact O-CB 3.41Å; I391-M394 PolarHBondContact O-N 2.87Å; I391-Y396 HydrophobicContact CB-CD2 4.43Å; I391-Y396 HydrophobicContact CB-CE2 3.85Å; I391-Y396 HydrophobicContact CD1-CE2 4.35Å; I391-Y396 HydrophobicContact CG1-CE2 4.38Å; I391-V437 HydrophobicContact CD1-CG1 4.33Å; I391-V437 HydrophobicContact CD1-CG2 4.47Å; I391-V437 HydrophobicContact CG1-CG1 3.63Å; I391-V437 HydrophobicContact CG1-CG2 3.99Å; I391-R440 HydrophobicContact CG2-CB 4.4Å; I391-L442 HydrophobicContact CD1-CB 3.85Å; I391-P462 HydrophobicContact CD1-CG 3.91Å
392	D	92.4	Very high	97.8	Very high	52 Å²	52	19.3 Å²	19.3	28%	0.278	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.2	176.8	-64.2	-30.6	0	0	0	115.7	T250 M394 R440	T250-D392 HydrophobicContact CG2-CB 3.69Å; T250-D392 WeakPolarHBondContact CG2-OD1 3.33Å; D392-M394 PolarHBondContact O-N 2.84Å; D392-R440 IonicContact OD1-CZ 3.17Å; D392-R440 IonicContact OD1-NH1 2.75Å; D392-R440 PolarHBondContact OD1-NH1 3.28Å; D392-R440 IonicContact OD2-CZ 2.74Å; D392-R440 IonicContact OD2-NH1 3.62Å; D392-R440 PolarHBondContact OD2-NH1 3.38Å; D392-R440 IonicContact OD2-NH2 3.36Å; D392-R440 PolarHBondContact OD2-NH2 3.3Å
393	G	93	Very high	97.6	Very high	32 Å²	32	20.7 Å²	20.7	33%	0.33	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	16.2	-177	0	0	0	0	0	113.7	I340 I391 P415	I340-G393 WeakPolarHBondContact CD1-O 3.4Å; I391-G393 VanDerWaalsContact C-N 3.26Å; I391-G393 PolarHBondContact O-N 2.98Å; G393-P415 VanDerWaalsContact O-CD 3.28Å; G393-P415 WeakPolarHBondContact O-CD 3.46Å; G393-P415 VanDerWaalsContact O-CG 3.3Å; G393-P415 WeakPolarHBondContact O-CG 3.44Å
394	M	96.9	Very high	97.4	Very high	26 Å²	26	26.1 Å²	26.1	13%	0.128	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.7	176.5	-49.6	-68.1	-79.1	0	0	109.9	V390 I391 D392 Y396 R412 Y413 D414	V390-M394 VanDerWaalsContact CA-O 3.3Å; V390-M394 WeakPolarHBondContact CA-O 3.41Å; I391-M394 PolarHBondContact N-O 3.43Å; I391-M394 VanDerWaalsContact N-O 3.12Å; I391-M394 VanDerWaalsContact O-CB 3.28Å; I391-M394 WeakPolarHBondContact O-CB 3.41Å; I391-M394 PolarHBondContact O-N 2.87Å; D392-M394 PolarHBondContact O-N 2.84Å; M394-Y396 HydrophobicContact CB-CE2 4.07Å; M394-R412 HydrophobicContact CB-CG 3.71Å; M394-R412 HydrophobicContact CE-CG 4.15Å; M394-Y413 WeakPolarHBondContact CA-O 3.23Å; M394-D414 VanDerWaalsContact CE-CA 3.46Å; M394-D414 HydrophobicContact CE-CB 3.38Å; M394-D414 HydrophobicContact SD-CB 4.16Å
395	I	98.8	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.3	178.7	-49.7	174.9	0	0	0	109	I340 Y345 V347 L363 V388 R412 Y413 W420	I340-I395 HydrophobicContact CD1-CD1 3.89Å; I340-I395 HydrophobicContact CD1-CG1 3.23Å; I340-I395 HydrophobicContact CG1-CG1 4.45Å; Y345-I395 HydrophobicContact CD1-CD1 3.86Å; Y345-I395 HydrophobicContact CD2-CD1 4.15Å; Y345-I395 HydrophobicContact CE1-CD1 4.37Å; Y345-I395 HydrophobicContact CG-CD1 3.72Å; V347-I395 HydrophobicContact CG2-CG2 4.38Å; L363-I395 HydrophobicContact CD1-CD1 4.09Å; L363-I395 HydrophobicContact CD2-CD1 4.45Å; V388-I395 HydrophobicContact CG1-CG2 3.55Å; I395-R412 CarbonylContact O-C 3.54Å; I395-R412 VanDerWaalsContact O-CA 3.24Å; I395-R412 WeakPolarHBondContact O-CA 3.21Å; I395-Y413 HydrophobicContact CD1-CD1 3.79Å; I395-Y413 HydrophobicContact CD1-CE1 4.4Å; I395-Y413 HydrophobicContact CG1-CD1 4.13Å; I395-Y413 PolarHBondContact N-O 2.8Å; I395-Y413 PolarHBondContact O-N 2.83Å; I395-W420 HydrophobicContact CB-CH2 4.47Å; I395-W420 HydrophobicContact CG2-CH2 4.28Å
396	Y	98.9	Very high	97.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.7	172.7	-71.7	-104.5	0	0	0	109.9	V388 G389 I391 M394 V410 E411 R412 L442 Y460	V388-Y396 VanDerWaalsContact CA-O 3.28Å; V388-Y396 WeakPolarHBondContact CA-O 3.13Å; G389-Y396 PolarHBondContact N-O 3.38Å; G389-Y396 PolarHBondContact O-N 3.33Å; I391-Y396 HydrophobicContact CB-CD2 4.43Å; I391-Y396 HydrophobicContact CB-CE2 3.85Å; I391-Y396 HydrophobicContact CD1-CE2 4.35Å; I391-Y396 HydrophobicContact CG1-CE2 4.38Å; M394-Y396 HydrophobicContact CB-CE2 4.07Å; Y396-V410 HydrophobicContact CD1-CG1 4.42Å; Y396-E411 WeakPolarHBondContact CA-O 3.42Å; Y396-R412 HydrophobicContact CD1-CB 4.11Å; Y396-R412 HydrophobicContact CD1-CG 4.31Å; Y396-R412 HydrophobicContact CD2-CG 4.18Å; Y396-R412 HydrophobicContact CE1-CB 3.98Å; Y396-R412 HydrophobicContact CE1-CG 3.99Å; Y396-R412 HydrophobicContact CE2-CG 3.81Å; Y396-R412 HydrophobicContact CG-CG 4.42Å; Y396-R412 WeakPolarHBondContact OH-CD 3.42Å; Y396-L442 HydrophobicContact CD1-CD2 4.05Å; Y396-L442 HydrophobicContact CG-CD2 3.98Å; Y396-Y460 HydrophobicContact CD1-CE1 4.32Å; Y396-Y460 HydrophobicContact CE1-CD1 4.25Å; Y396-Y460 AromaticContact CE1-CE1 3.58Å; Y396-Y460 HydrophobicContact CE1-CE1 3.58Å
397	A	98.9	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.6	175.2	0	0	0	0	0	110	M379 I386 V410 E411 W420	M379-A397 HydrophobicContact SD-CB 3.5Å; M379-A397 VanDerWaalsContact SD-CB 3.5Å; I386-A397 HydrophobicContact CD1-CB 3.77Å; A397-V410 WeakPolarHBondContact O-CA 3.29Å; A397-E411 HydrophobicContact CB-CG 3.84Å; A397-E411 PolarHBondContact N-O 2.8Å; A397-E411 PolarHBondContact O-N 2.89Å; A397-W420 HydrophobicContact CB-CH2 3.7Å; A397-W420 HydrophobicContact CB-CZ3 3.51Å
398	V	98.9	Very high	97.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.3	-167.5	-173.1	0	0	0	0	111	G387 V410 M426 V435 L442 A444 W467	G387-V398 PolarHBondContact N-O 3.4Å; G387-V398 VanDerWaalsContact N-O 3.14Å; G387-V398 WeakPolarHBondContact O-CB 3.18Å; G387-V398 PolarHBondContact O-N 3.39Å; V398-V410 HydrophobicContact CG1-CG2 4.14Å; V398-V410 HydrophobicContact CG2-CG1 4.07Å; V398-M426 HydrophobicContact CG1-CE 3.68Å; V398-M426 HydrophobicContact CG1-CG 4.27Å; V398-M426 HydrophobicContact CG1-SD 3.31Å; V398-M426 WeakPolarHBondContact CG1-SD 3.18Å; V398-V435 HydrophobicContact CB-CG2 3.97Å; V398-V435 HydrophobicContact CG1-CG2 4.27Å; V398-V435 HydrophobicContact CG2-CG2 4.09Å; V398-L442 HydrophobicContact CG2-CD2 3.66Å; V398-A444 HydrophobicContact CG1-CB 4.26Å; V398-W467 HydrophobicContact CG1-CH2 4.24Å
399	G	98.7	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.188	C	C	.	.			trans	63.7	-137.9	172.7	0	0	0	0	0	113.9	R383 H407 S409 R430	R383-G399 WeakPolarHBondContact CD-O 3.3Å; R383-G399 WeakPolarHBondContact CG-O 3.43Å; R383-G399 PolarHBondContact NH1-O 3.13Å; G399-H407 WeakPolarHBondContact CA-O 3.3Å; G399-S409 PolarHBondContact N-O 3.25Å; G399-R430 WeakPolarHBondContact CA-O 3.32Å
400	G	98.6	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.184	C	C	.	.			trans	87.2	-179.9	-174.9	0	0	0	0	0	113.4	N384 H407 R430 I431	N384-G400 CarbonylContact O-C 3.52Å; N384-G400 WeakPolarHBondContact O-CA 3.37Å; G400-H407 VanDerWaalsContact O-CB 3.32Å; G400-H407 WeakPolarHBondContact O-CB 3.44Å; G400-H407 PolarHBondContact O-CD2 2.92Å; G400-H407 PolarHBondContact O-N 2.78Å; G400-R430 PolarHBondContact N-O 3.17Å; G400-I431 WeakPolarHBondContact O-CG2 3.37Å
401	S	98.4	Very high	97.4	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.2	-177.5	61.9	0	0	0	0	113.7	N384 I405	N384-S401 PolarHBondContact N-O 2.97Å; N384-S401 PolarHBondContact O-N 3.01Å; S401-I405 CarbonylContact C-O 3.59Å; S401-I405 WeakPolarHBondContact CA-O 3.05Å; S401-I405 WeakPolarHBondContact CB-O 3.4Å
402	H	97.8	Very high	97.5	Very high	83 Å²	83	30.7 Å²	30.7	38%	0.384	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	107.9	163.2	178.8	-153.5	0	0	0	109.3	D359 P382 C404 I405	D359-H402 WeakPolarHBondContact OD2-CA 3.42Å; D359-H402 IonicContact OD2-CD2 3.23Å; P382-H402 HydrophobicContact CB-CB 4.21Å; H402-C404 PolarHBondContact O-N 3.15Å; H402-I405 PolarHBondContact N-O 3.41Å; H402-I405 WeakPolarHBondContact O-CB 3.3Å; H402-I405 PolarHBondContact O-N 2.81Å
403	G	94.6	Very high	97.8	Very high	51 Å²	51	28.4 Å²	28.4	53%	0.526	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-117.6	-172.7	0	0	0	0	0	111.9	D359	D359-G403 PolarHBondContact OD2-N 3.22Å
404	C	93.9	Very high	98	Very high	113 Å²	113	28 Å²	28	76%	0.764	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.1	175.9	61.3	0	0	0	0	113.8	H402 H406	H402-C404 PolarHBondContact O-N 3.15Å; C404-H406 PolarHBondContact O-CE1 3.26Å; C404-H406 PolarHBondContact O-ND1 2.82Å
405	I	97.4	Very high	97.9	Very high	84 Å²	84	28.4 Å²	28.4	43%	0.431	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.8	-178	-60.5	167.8	0	0	0	109	S401 H402	S401-I405 CarbonylContact C-O 3.59Å; S401-I405 WeakPolarHBondContact CA-O 3.05Å; S401-I405 WeakPolarHBondContact CB-O 3.4Å; H402-I405 PolarHBondContact N-O 3.41Å; H402-I405 WeakPolarHBondContact O-CB 3.3Å; H402-I405 PolarHBondContact O-N 2.81Å
406	H	98.4	Very high	97.6	Very high	37 Å²	37	37.5 Å²	37.5	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.7	173.2	-59.9	72.2	0	0	0	108	C404 R429 I431 F448	C404-H406 PolarHBondContact O-CE1 3.26Å; C404-H406 PolarHBondContact O-ND1 2.82Å; H406-R429 HydrophobicContact CB-CB 4.2Å; H406-R429 VanDerWaalsContact O-CD 3.28Å; H406-R429 WeakPolarHBondContact O-CD 3.3Å; H406-R429 WeakPolarHBondContact O-CG 3.48Å; H406-R429 PolarHBondContact O-NH1 2.73Å; H406-I431 HydrophobicContact CB-CG2 4.03Å; H406-F448 AromaticContact CD2-CD1 3.99Å; H406-F448 AromaticContact NE2-CD1 3.81Å; H406-F448 AromaticContact NE2-CE1 3.59Å
407	H	98.6	Very high	97.5	Very high	17 Å²	17	45 Å²	45	8%	0.079	24%	0.236	C	C	.	.			trans	-84.9	139.1	-173.2	-63.2	-67.2	0	0	0	111.7	P382 G399 G400 R430	P382-H407 PolarHBondContact O-NE2 3.38Å; G399-H407 WeakPolarHBondContact CA-O 3.3Å; G400-H407 VanDerWaalsContact O-CB 3.32Å; G400-H407 WeakPolarHBondContact O-CB 3.44Å; G400-H407 PolarHBondContact O-CD2 2.92Å; G400-H407 PolarHBondContact O-N 2.78Å; H407-R430 PolarHBondContact O-N 2.89Å
408	N	98.7	Very high	97.4	Very high	45 Å²	45	48.5 Å²	48.5	24%	0.241	25%	0.254	C	S	.	.			trans	-106.2	-5.2	153.9	67.8	-27.9	0	0	0	111.5	P425 M426 T428 R429	N408-P425 CarbonylContact O-C 3.55Å; N408-P425 WeakPolarHBondContact O-CA 3.45Å; N408-M426 HydrophobicContact CB-CB 4.09Å; N408-M426 WeakPolarHBondContact CB-O 3.46Å; N408-M426 PolarHBondContact ND2-O 3.43Å; N408-M426 PolarHBondContact O-N 2.84Å; N408-T428 WeakPolarHBondContact CB-O 3.43Å; N408-R429 HydrophobicContact CB-CB 4.49Å; N408-R429 HydrophobicContact CB-CG 4.01Å
409	S	98.8	Very high	97.4	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	28%	0.278	C	S	.	.			trans	-63.2	148.2	177.1	56	0	0	0	0	110.8	R383 G399	R383-S409 PolarHBondContact NH1-O 3.14Å; R383-S409 PolarHBondContact NH1-OG 3.48Å; R383-S409 PolarHBondContact NH2-O 2.85Å; R383-S409 PolarHBondContact NH2-OG 3.17Å; G399-S409 PolarHBondContact N-O 3.25Å
410	V	98.9	Very high	97.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.5	177.3	-175.5	0	0	0	0	107.8	Y396 A397 V398 V423 M426 W467	Y396-V410 HydrophobicContact CD1-CG1 4.42Å; A397-V410 WeakPolarHBondContact O-CA 3.29Å; V398-V410 HydrophobicContact CG1-CG2 4.14Å; V398-V410 HydrophobicContact CG2-CG1 4.07Å; V410-V423 HydrophobicContact CB-CG2 3.71Å; V410-V423 HydrophobicContact CG1-CG2 3.57Å; V410-V423 PolarHBondContact O-N 2.94Å; V410-M426 HydrophobicContact CG2-CG 3.95Å; V410-W467 HydrophobicContact CG1-CZ2 4.49Å; V410-W467 HydrophobicContact CG2-CZ2 3.81Å
411	E	98.7	Very high	97.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.5	175.4	54.5	-167	105.5	0	0	110	M379 S380 R383 Y396 A397 W420 Q421 L422	M379-E411 WeakPolarHBondContact CA-OE2 3.49Å; M379-E411 VanDerWaalsContact CB-OE2 3.25Å; M379-E411 WeakPolarHBondContact CB-OE2 3.25Å; M379-E411 HydrophobicContact CG-CG 4.37Å; S380-E411 PolarHBondContact N-OE2 2.83Å; S380-E411 PolarHBondContact OG-OE1 3Å; S380-E411 PolarHBondContact OG-OE2 3.12Å; R383-E411 IonicContact CZ-OE1 2.83Å; R383-E411 VanDerWaalsContact CZ-OE1 3.31Å; R383-E411 IonicContact NE-OE1 2.77Å; R383-E411 PolarHBondContact NE-OE1 2.93Å; R383-E411 IonicContact NH2-OE1 2.69Å; R383-E411 PolarHBondContact NH2-OE1 2.82Å; Y396-E411 WeakPolarHBondContact CA-O 3.42Å; A397-E411 HydrophobicContact CB-CG 3.84Å; A397-E411 PolarHBondContact N-O 2.8Å; A397-E411 PolarHBondContact O-N 2.89Å; E411-W420 HydrophobicContact CB-CE3 3.88Å; E411-W420 HydrophobicContact CB-CZ3 4.48Å; E411-W420 HydrophobicContact CG-CD2 4.27Å; E411-W420 HydrophobicContact CG-CE3 3.48Å; E411-W420 VanDerWaalsContact CG-CE3 3.48Å; E411-W420 HydrophobicContact CG-CZ3 3.84Å; E411-W420 WeakPolarHBondContact O-CZ3 3.49Å; E411-Q421 CarbonylContact C-O 3.56Å; E411-Q421 VanDerWaalsContact CA-O 3.26Å; E411-Q421 WeakPolarHBondContact CA-O 3.41Å; E411-L422 HydrophobicContact CB-CD2 4.26Å
412	R	98.6	Very high	97.4	Very high	67 Å²	67	64.5 Å²	64.5	25%	0.253	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.9	179.6	-177.8	-174.8	71.6	-176.6	-5.6	109.6	M394 I395 Y396 W420 Q421 V423	M394-R412 HydrophobicContact CB-CG 3.71Å; M394-R412 HydrophobicContact CE-CG 4.15Å; I395-R412 CarbonylContact O-C 3.54Å; I395-R412 VanDerWaalsContact O-CA 3.24Å; I395-R412 WeakPolarHBondContact O-CA 3.21Å; Y396-R412 HydrophobicContact CD1-CB 4.11Å; Y396-R412 HydrophobicContact CD1-CG 4.31Å; Y396-R412 HydrophobicContact CD2-CG 4.18Å; Y396-R412 HydrophobicContact CE1-CB 3.98Å; Y396-R412 HydrophobicContact CE1-CG 3.99Å; Y396-R412 HydrophobicContact CE2-CG 3.81Å; Y396-R412 HydrophobicContact CG-CG 4.42Å; Y396-R412 WeakPolarHBondContact OH-CD 3.42Å; R412-W420 CarbonylContact O-C 3.48Å; R412-W420 WeakPolarHBondContact O-CA 3.49Å; R412-Q421 PolarHBondContact N-O 3.17Å; R412-Q421 PolarHBondContact O-N 3.46Å; R412-V423 HydrophobicContact CB-CG1 4.02Å
413	Y	98.7	Very high	97.4	Very high	5 Å²	5	61.4 Å²	61.4	2%	0.02	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.8	174.9	179.5	-108.7	0	0	0	111	Y345 L363 C376 A377 M394 I395 P415 D418 Q419 W420	Y345-Y413 HydrophobicContact CE1-CE1 4.3Å; L363-Y413 HydrophobicContact CD2-CD1 3.66Å; L363-Y413 HydrophobicContact CD2-CD2 3.67Å; L363-Y413 HydrophobicContact CD2-CE1 3.54Å; L363-Y413 HydrophobicContact CD2-CE2 3.55Å; L363-Y413 HydrophobicContact CD2-CG 3.72Å; L363-Y413 VanDerWaalsContact CD2-CZ 3.49Å; C376-Y413 HydrophobicContact CB-CE2 4.5Å; A377-Y413 HydrophobicContact CB-CE2 4.4Å; M394-Y413 WeakPolarHBondContact CA-O 3.23Å; I395-Y413 HydrophobicContact CD1-CD1 3.79Å; I395-Y413 HydrophobicContact CD1-CE1 4.4Å; I395-Y413 HydrophobicContact CG1-CD1 4.13Å; I395-Y413 PolarHBondContact N-O 2.8Å; I395-Y413 PolarHBondContact O-N 2.83Å; Y413-P415 HydrophobicContact CD1-CB 4.44Å; Y413-P415 HydrophobicContact CD1-CG 3.87Å; Y413-P415 VanDerWaalsContact CE1-CA 3.46Å; Y413-P415 HydrophobicContact CE1-CB 3.85Å; Y413-P415 HydrophobicContact CE1-CG 3.77Å; Y413-D418 WeakPolarHBondContact CE2-OD1 3.16Å; Y413-D418 PolarHBondContact OH-OD1 2.92Å; Y413-Q419 WeakPolarHBondContact CA-O 3.49Å; Y413-W420 AromaticContact CD2-CD1 3.78Å; Y413-W420 HydrophobicContact CD2-CD2 4.02Å; Y413-W420 AromaticContact CD2-CE2 3.71Å; Y413-W420 HydrophobicContact CD2-CG 4.09Å; Y413-W420 HydrophobicContact CD2-CZ2 4.28Å; Y413-W420 AromaticContact CD2-NE1 3.51Å; Y413-W420 HydrophobicContact CG-CD2 4.28Å; Y413-W420 AromaticContact CG-CE2 3.98Å; Y413-W420 HydrophobicContact CG-CZ2 4.15Å
414	D	96.9	Very high	97.6	Very high	22 Å²	22	59.9 Å²	59.9	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.8	170.4	-171.7	-29.5	0	0	0	109.5	M394 E416 R417 D418 Q419	M394-D414 VanDerWaalsContact CE-CA 3.46Å; M394-D414 HydrophobicContact CE-CB 3.38Å; M394-D414 HydrophobicContact SD-CB 4.16Å; D414-E416 VanDerWaalsContact C-N 3.26Å; D414-E416 PolarHBondContact O-N 3Å; D414-E416 WeakPolarHBondContact OD1-CB 3.5Å; D414-E416 PolarHBondContact OD1-N 3.2Å; D414-R417 HydrophobicContact CB-CB 4.13Å; D414-R417 PolarHBondContact O-N 2.88Å; D414-R417 PolarHBondContact OD1-N 3.08Å; D414-R417 WeakPolarHBondContact OD2-CD 3.33Å; D414-R417 IonicContact OD2-NE 2.87Å; D414-D418 WeakPolarHBondContact O-CA 3.29Å; D414-D418 PolarHBondContact O-N 3.34Å; D414-Q419 PolarHBondContact N-O 3.11Å; D414-Q419 PolarHBondContact O-N 3.35Å
415	P	95	Very high	97.9	Very high	35 Å²	35	57.9 Å²	57.9	23%	0.227	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.4	178.4	-20	31.9	0	0	0	114.5	I340 G393 Y413	I340-P415 HydrophobicContact CD1-CG 3.92Å; I340-P415 HydrophobicContact CG2-CG 4.41Å; G393-P415 VanDerWaalsContact O-CD 3.28Å; G393-P415 WeakPolarHBondContact O-CD 3.46Å; G393-P415 VanDerWaalsContact O-CG 3.3Å; G393-P415 WeakPolarHBondContact O-CG 3.44Å; Y413-P415 HydrophobicContact CD1-CB 4.44Å; Y413-P415 HydrophobicContact CD1-CG 3.87Å; Y413-P415 VanDerWaalsContact CE1-CA 3.46Å; Y413-P415 HydrophobicContact CE1-CB 3.85Å; Y413-P415 HydrophobicContact CE1-CG 3.77Å
416	E	92.4	Very high	97.9	Very high	192 Å²	192	54 Å²	54	90%	0.897	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-31.6	178.1	-62.7	-158.9	155.5	0	0	111.5	D414	D414-E416 VanDerWaalsContact C-N 3.26Å; D414-E416 PolarHBondContact O-N 3Å; D414-E416 WeakPolarHBondContact OD1-CB 3.5Å; D414-E416 PolarHBondContact OD1-N 3.2Å
417	R	95.8	Very high	97.9	Very high	162 Å²	162	57 Å²	57	61%	0.611	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-10.7	179.7	-62.8	-178.5	175	167.3	-1.9	114.1	D414 Q419	D414-R417 HydrophobicContact CB-CB 4.13Å; D414-R417 PolarHBondContact O-N 2.88Å; D414-R417 PolarHBondContact OD1-N 3.08Å; D414-R417 WeakPolarHBondContact OD2-CD 3.33Å; D414-R417 IonicContact OD2-NE 2.87Å; R417-Q419 VanDerWaalsContact C-N 3.3Å; R417-Q419 HydrophobicContact CB-CB 4.26Å; R417-Q419 HydrophobicContact CB-CG 4.46Å; R417-Q419 WeakPolarHBondContact O-CG 3.28Å; R417-Q419 PolarHBondContact O-N 3.18Å
418	D	97.8	Very high	97.9	Very high	73 Å²	73	58.2 Å²	58.2	39%	0.39	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	50.8	-170.5	-172.2	26.8	0	0	0	111.5	A377 Y413 D414	A377-D418 WeakPolarHBondContact CB-O 3.41Å; A377-D418 VanDerWaalsContact CB-OD1 3.32Å; A377-D418 WeakPolarHBondContact CB-OD1 3.38Å; A377-D418 PolarHBondContact N-OD1 3.37Å; Y413-D418 WeakPolarHBondContact CE2-OD1 3.16Å; Y413-D418 PolarHBondContact OH-OD1 2.92Å; D414-D418 WeakPolarHBondContact O-CA 3.29Å; D414-D418 PolarHBondContact O-N 3.34Å
419	Q	98.3	Very high	97.9	Very high	105 Å²	105	62 Å²	62	49%	0.491	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.5	-173.6	-77.5	175.7	18	0	0	112.8	Y413 D414 R417	Y413-Q419 WeakPolarHBondContact CA-O 3.49Å; D414-Q419 PolarHBondContact N-O 3.11Å; D414-Q419 PolarHBondContact O-N 3.35Å; R417-Q419 VanDerWaalsContact C-N 3.3Å; R417-Q419 HydrophobicContact CB-CB 4.26Å; R417-Q419 HydrophobicContact CB-CG 4.46Å; R417-Q419 WeakPolarHBondContact O-CG 3.28Å; R417-Q419 PolarHBondContact O-N 3.18Å
420	W	98.8	Very high	97.9	Very high	35 Å²	35	60.9 Å²	60.9	13%	0.133	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.9	169.6	-70	93.4	0	0	0	111.4	V347 L363 A377 P378 M379 I395 A397 E411 R412 Y413	V347-W420 HydrophobicContact CG1-CH2 4.25Å; V347-W420 HydrophobicContact CG1-CZ2 4.42Å; L363-W420 HydrophobicContact CB-CZ2 4.23Å; L363-W420 HydrophobicContact CD1-CZ2 4.3Å; L363-W420 HydrophobicContact CD2-CZ2 3.83Å; L363-W420 HydrophobicContact CG-CZ2 4.35Å; A377-W420 VanDerWaalsContact O-CD1 3.27Å; A377-W420 PolarHBondContact O-NE1 3.44Å; P378-W420 VanDerWaalsContact O-CD1 3.23Å; M379-W420 HydrophobicContact CG-CD2 3.83Å; M379-W420 VanDerWaalsContact CG-CE2 3.43Å; M379-W420 HydrophobicContact CG-CE3 4.19Å; M379-W420 HydrophobicContact CG-CG 4.48Å; M379-W420 HydrophobicContact CG-CH2 3.82Å; M379-W420 HydrophobicContact CG-CZ2 3.42Å; M379-W420 VanDerWaalsContact CG-CZ2 3.42Å; M379-W420 HydrophobicContact CG-CZ3 4.19Å; M379-W420 HydrophobicContact SD-CH2 4.05Å; M379-W420 HydrophobicContact SD-CZ2 4.11Å; I395-W420 HydrophobicContact CB-CH2 4.47Å; I395-W420 HydrophobicContact CG2-CH2 4.28Å; A397-W420 HydrophobicContact CB-CH2 3.7Å; A397-W420 HydrophobicContact CB-CZ3 3.51Å; E411-W420 HydrophobicContact CB-CE3 3.88Å; E411-W420 HydrophobicContact CB-CZ3 4.48Å; E411-W420 HydrophobicContact CG-CD2 4.27Å; E411-W420 HydrophobicContact CG-CE3 3.48Å; E411-W420 VanDerWaalsContact CG-CE3 3.48Å; E411-W420 HydrophobicContact CG-CZ3 3.84Å; E411-W420 WeakPolarHBondContact O-CZ3 3.49Å; R412-W420 CarbonylContact O-C 3.48Å; R412-W420 WeakPolarHBondContact O-CA 3.49Å; Y413-W420 AromaticContact CD2-CD1 3.78Å; Y413-W420 HydrophobicContact CD2-CD2 4.02Å; Y413-W420 AromaticContact CD2-CE2 3.71Å; Y413-W420 HydrophobicContact CD2-CG 4.09Å; Y413-W420 HydrophobicContact CD2-CZ2 4.28Å; Y413-W420 AromaticContact CD2-NE1 3.51Å; Y413-W420 HydrophobicContact CG-CD2 4.28Å; Y413-W420 AromaticContact CG-CE2 3.98Å; Y413-W420 HydrophobicContact CG-CZ2 4.15Å
421	Q	98.4	Very high	97.9	Very high	82 Å²	82	61.5 Å²	61.5	38%	0.383	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.9	173.7	-65.3	-179	-3.4	0	0	109.9	E411 R412	E411-Q421 CarbonylContact C-O 3.56Å; E411-Q421 VanDerWaalsContact CA-O 3.26Å; E411-Q421 WeakPolarHBondContact CA-O 3.41Å; R412-Q421 PolarHBondContact N-O 3.17Å; R412-Q421 PolarHBondContact O-N 3.46Å
422	L	98.6	Very high	97.9	Very high	119 Å²	119	61.8 Å²	61.8	62%	0.623	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.5	172	-71.9	168.7	0	0	0	110	E411	E411-L422 HydrophobicContact CB-CD2 4.26Å
423	V	98.7	Very high	97.9	Very high	18 Å²	18	59 Å²	59	11%	0.109	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	179	168.1	-59.5	0	0	0	0	108.5	V410 R412 Y460 D465	V410-V423 HydrophobicContact CB-CG2 3.71Å; V410-V423 HydrophobicContact CG1-CG2 3.57Å; V410-V423 PolarHBondContact O-N 2.94Å; R412-V423 HydrophobicContact CB-CG1 4.02Å; V423-Y460 HydrophobicContact CB-CE2 4.47Å; V423-Y460 HydrophobicContact CG2-CE2 4.36Å; V423-D465 WeakPolarHBondContact CB-OD1 3.43Å
424	A	98.7	Very high	97.9	Very high	18 Å²	18	59 Å²	59	15%	0.149	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-52.4	131.4	178.8	0	0	0	0	0	111.3	Y460 D465 W467	A424-Y460 HydrophobicContact CB-CE2 4.31Å; A424-D465 WeakPolarHBondContact CB-O 3.36Å; A424-D465 VanDerWaalsContact CB-OD1 3.27Å; A424-D465 WeakPolarHBondContact CB-OD1 3.3Å; A424-D465 PolarHBondContact N-OD1 3.44Å; A424-W467 PolarHBondContact O-NE1 3.4Å
425	P	98.8	Very high	98	Very high	71 Å²	71	58.7 Å²	58.7	46%	0.461	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-70.5	150.5	177.8	30.8	-34.9	0	0	0	110.4	N408 W467	N408-P425 CarbonylContact O-C 3.55Å; N408-P425 WeakPolarHBondContact O-CA 3.45Å; P425-W467 VanDerWaalsContact C-CD1 3.48Å
426	M	98.8	Very high	98.1	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.4	153	169	-74	-175.9	-59.9	0	0	111.4	V398 N408 V410 T428 R430 A444 E458 W467	V398-M426 HydrophobicContact CG1-CE 3.68Å; V398-M426 HydrophobicContact CG1-CG 4.27Å; V398-M426 HydrophobicContact CG1-SD 3.31Å; V398-M426 WeakPolarHBondContact CG1-SD 3.18Å; N408-M426 HydrophobicContact CB-CB 4.09Å; N408-M426 WeakPolarHBondContact CB-O 3.46Å; N408-M426 PolarHBondContact ND2-O 3.43Å; N408-M426 PolarHBondContact O-N 2.84Å; V410-M426 HydrophobicContact CG2-CG 3.95Å; M426-T428 WeakPolarHBondContact CB-O 3.46Å; M426-T428 PolarHBondContact O-N 3.04Å; M426-R430 HydrophobicContact CE-CB 4.02Å; M426-R430 HydrophobicContact CE-CG 4.14Å; M426-R430 HydrophobicContact SD-CG 4.28Å; M426-A444 HydrophobicContact SD-CB 3.68Å; M426-E458 VanDerWaalsContact CA-OE2 3.26Å; M426-E458 WeakPolarHBondContact CA-OE2 3.37Å; M426-E458 WeakPolarHBondContact CB-OE2 3.35Å; M426-W467 HydrophobicContact CB-CD2 4.42Å; M426-W467 HydrophobicContact CG-CD2 3.82Å; M426-W467 HydrophobicContact CG-CE3 4Å; M426-W467 HydrophobicContact CG-CH2 3.72Å; M426-W467 HydrophobicContact CG-CZ2 3.52Å; M426-W467 HydrophobicContact CG-CZ3 3.95Å; M426-W467 HydrophobicContact SD-CH2 4.18Å; M426-W467 HydrophobicContact SD-CZ2 4.46Å; M426-W467 HydrophobicContact SD-CZ3 4.43Å
427	L	98.7	Very high	98.3	Very high	102 Å²	102	50.2 Å²	50.2	53%	0.534	25%	0.251	S	S	.	.	S	Bend	trans	-64.9	-33.7	173.8	-55.9	179.2	0	0	0	111	E458 W467	L427-E458 PolarHBondContact N-OE2 3.02Å; L427-W467 HydrophobicContact CD2-CB 4.28Å; L427-W467 HydrophobicContact CG-CB 3.93Å
428	T	98.5	Very high	98.2	Very high	42 Å²	42	43 Å²	43	26%	0.258	23%	0.225	S	C	.	.	S	Bend	trans	-119.9	145.7	-178.1	-43.4	0	0	0	0	111	N408 M426 D449 L454 E458	N408-T428 WeakPolarHBondContact CB-O 3.43Å; M426-T428 WeakPolarHBondContact CB-O 3.46Å; M426-T428 PolarHBondContact O-N 3.04Å; T428-D449 HydrophobicContact CG2-CB 4.29Å; T428-L454 HydrophobicContact CG2-CD1 3.83Å; T428-E458 WeakPolarHBondContact CB-OE1 3.38Å; T428-E458 PolarHBondContact N-OE1 2.87Å; T428-E458 PolarHBondContact OG1-OE1 2.77Å
429	R	98.8	Very high	97.8	Very high	125 Å²	125	41.1 Å²	41.1	47%	0.472	22%	0.215	S	C	.	.			trans	-70	134.1	168	-63.7	171.9	-172.6	-83.7	-2.8	108.8	H406 N408 D449	H406-R429 HydrophobicContact CB-CB 4.2Å; H406-R429 VanDerWaalsContact O-CD 3.28Å; H406-R429 WeakPolarHBondContact O-CD 3.3Å; H406-R429 WeakPolarHBondContact O-CG 3.48Å; H406-R429 PolarHBondContact O-NH1 2.73Å; N408-R429 HydrophobicContact CB-CB 4.49Å; N408-R429 HydrophobicContact CB-CG 4.01Å; R429-D449 HydrophobicContact CB-CB 4.43Å; R429-D449 VanDerWaalsContact O-CA 3.23Å; R429-D449 WeakPolarHBondContact O-CA 3.38Å; R429-D449 VanDerWaalsContact O-CB 3.29Å; R429-D449 WeakPolarHBondContact O-CB 3.43Å
430	R	98.7	Very high	97.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	20%	0.197	C	C	.	.			trans	-143.5	125.7	-178	-51.8	179.3	177.9	-96.5	0.3	111.7	G399 G400 H407 M426 V433 G446 L454 S456 E458	G399-R430 WeakPolarHBondContact CA-O 3.32Å; G400-R430 PolarHBondContact N-O 3.17Å; H407-R430 PolarHBondContact O-N 2.89Å; M426-R430 HydrophobicContact CE-CB 4.02Å; M426-R430 HydrophobicContact CE-CG 4.14Å; M426-R430 HydrophobicContact SD-CG 4.28Å; R430-V433 HydrophobicContact CB-CB 3.75Å; R430-V433 HydrophobicContact CB-CG1 4.35Å; R430-V433 HydrophobicContact CB-CG2 3.93Å; R430-V433 HydrophobicContact CG-CG2 4.44Å; R430-G446 PolarHBondContact NH1-O 3.32Å; R430-L454 HydrophobicContact CG-CD1 4.01Å; R430-S456 PolarHBondContact NH1-O 2.79Å; R430-S456 PolarHBondContact NH1-OG 2.91Å; R430-S456 PolarHBondContact NH2-OG 2.93Å; R430-E458 IonicContact CZ-OE1 3.41Å; R430-E458 VanDerWaalsContact CZ-OE1 3.23Å; R430-E458 IonicContact NE-OE1 2.59Å; R430-E458 PolarHBondContact NE-OE1 2.77Å; R430-E458 IonicContact NH2-OE1 3.86Å; R430-E458 PolarHBondContact NH2-OE1 3.39Å
431	I	98.5	Very high	97.5	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.067	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-123.6	146.7	168.7	81	165.7	0	0	0	109.7	G400 H406 V433 G447 F448	G400-I431 WeakPolarHBondContact O-CG2 3.37Å; H406-I431 HydrophobicContact CB-CG2 4.03Å; I431-V433 PolarHBondContact O-N 3.21Å; I431-G447 CarbonylContact O-C 3.48Å; I431-G447 VanDerWaalsContact O-CA 3.3Å; I431-G447 WeakPolarHBondContact O-CA 3.49Å; I431-F448 HydrophobicContact CD1-CD1 3.94Å; I431-F448 HydrophobicContact CG1-CB 3.95Å; I431-F448 HydrophobicContact CG1-CD1 3.89Å; I431-F448 HydrophobicContact CG1-CG 4.42Å; I431-F448 PolarHBondContact N-O 2.83Å; I431-F448 PolarHBondContact O-N 2.87Å
432	G	98.1	Very high	97.5	Very high	7 Å²	7	32.4 Å²	32.4	7%	0.072	18%	0.175	C	C	.	.	S	Bend	trans	59.8	34.1	-167	0	0	0	0	0	111.4	R385 G479	R385-G432 PolarHBondContact O-N 3.2Å; G432-G479 PolarHBondContact O-N 3.48Å
433	V	98.7	Very high	97.5	Very high	8 Å²	8	27.1 Å²	27.1	5%	0.048	15%	0.146	C	C	.	.			trans	-77.9	137.5	176.9	63.8	0	0	0	0	109.2	R430 I431 V435 A444	R430-V433 HydrophobicContact CB-CB 3.75Å; R430-V433 HydrophobicContact CB-CG1 4.35Å; R430-V433 HydrophobicContact CB-CG2 3.93Å; R430-V433 HydrophobicContact CG-CG2 4.44Å; I431-V433 PolarHBondContact O-N 3.21Å; V433-V435 HydrophobicContact CG1-CG2 4.39Å; V433-A444 HydrophobicContact CG2-CB 3.96Å
434	G	98.6	Very high	97.5	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141	168.7	0	0	0	0	0	110.4	V445	G434-V445 PolarHBondContact N-O 2.93Å; G434-V445 VanDerWaalsContact N-O 3.08Å; G434-V445 PolarHBondContact O-N 3.2Å
435	V	98.7	Very high	97.5	Very high	16 Å²	16	25.6 Å²	25.6	10%	0.097	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.5	-178.8	174.6	0	0	0	0	110	V398 V433 L442 Y443	V398-V435 HydrophobicContact CB-CG2 3.97Å; V398-V435 HydrophobicContact CG1-CG2 4.27Å; V398-V435 HydrophobicContact CG2-CG2 4.09Å; V433-V435 HydrophobicContact CG1-CG2 4.39Å; V435-L442 HydrophobicContact CG1-CD1 3.31Å; V435-L442 HydrophobicContact CG1-CG 3.94Å; V435-Y443 VanDerWaalsContact CA-O 3.27Å; V435-Y443 WeakPolarHBondContact CA-O 3.25Å
436	A	98	Very high	97.5	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.033	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.7	172.7	0	0	0	0	0	110.6	Y443 V482 A484 I489	A436-Y443 PolarHBondContact N-O 3.26Å; A436-Y443 VanDerWaalsContact N-O 3.11Å; A436-Y443 PolarHBondContact O-N 3Å; A436-V482 HydrophobicContact CB-CG1 3.93Å; A436-A484 HydrophobicContact CB-CB 4.41Å; A436-I489 HydrophobicContact CB-CD1 4.19Å; A436-I489 HydrophobicContact CB-CG1 4.07Å; A436-I489 HydrophobicContact CB-CG2 3.81Å
437	V	96.6	Very high	97.5	Very high	44 Å²	44	22.2 Å²	22.2	27%	0.267	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.9	175.1	177.3	0	0	0	0	109	I391 L441 L442 A484	I391-V437 HydrophobicContact CD1-CG1 4.33Å; I391-V437 HydrophobicContact CD1-CG2 4.47Å; I391-V437 HydrophobicContact CG1-CG1 3.63Å; I391-V437 HydrophobicContact CG1-CG2 3.99Å; V437-L441 WeakPolarHBondContact CA-O 3.41Å; V437-L442 HydrophobicContact CG2-CD1 3.5Å; V437-A484 WeakPolarHBondContact O-CB 3.41Å
438	I	93.1	Very high	97.5	Very high	12 Å²	12	18.7 Å²	18.7	6%	0.062	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	140.1	177.1	-175	163.4	0	0	0	108.3	R440 L441 Y443 N487 I489 V509	I438-R440 PolarHBondContact O-N 2.86Å; I438-R440 VanDerWaalsContact O-N 3.07Å; I438-L441 PolarHBondContact N-O 2.9Å; I438-L441 VanDerWaalsContact N-O 3.16Å; I438-L441 WeakPolarHBondContact O-CB 3.39Å; I438-L441 PolarHBondContact O-N 2.83Å; I438-Y443 HydrophobicContact CG2-CD2 3.65Å; I438-Y443 HydrophobicContact CG2-CE2 3.17Å; I438-N487 VanDerWaalsContact CD1-CA 3.46Å; I438-N487 HydrophobicContact CD1-CB 4.47Å; I438-I489 HydrophobicContact CG2-CD1 3.93Å; I438-I489 HydrophobicContact CG2-CG1 4.16Å; I438-V509 HydrophobicContact CD1-CG1 3.83Å; I438-V509 HydrophobicContact CD1-CG2 4.26Å; I438-V509 HydrophobicContact CG1-CG1 4.42Å; I438-V509 HydrophobicContact CG2-CG1 3.79Å
439	N	90.8	Very high	97.5	Very high	33 Å²	33	18.8 Å²	18.8	18%	0.176	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	35.7	-178.1	-58.8	-32.3	0	0	0	114	H281 L441 N487	H281-N439 WeakPolarHBondContact CB-O 3.18Å; H281-N439 PolarHBondContact ND1-O 3.1Å; N439-L441 PolarHBondContact O-N 3.01Å; N439-N487 PolarHBondContact ND2-OD1 3.34Å
440	R	93.7	Very high	97.4	Very high	30 Å²	30	14.6 Å²	14.6	11%	0.113	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	23	-176.6	-46.9	163.8	43.7	60.5	12.3	114.4	P251 L278 H281 I391 D392 I438 P462 E463	P251-R440 VanDerWaalsContact CD-NH2 3.33Å; P251-R440 VanDerWaalsContact CG-NH2 3.29Å; L278-R440 WeakPolarHBondContact O-CD 3.47Å; L278-R440 PolarHBondContact O-NE 3.24Å; H281-R440 PolarHBondContact CE1-O 2.91Å; I391-R440 HydrophobicContact CG2-CB 4.4Å; D392-R440 IonicContact OD1-CZ 3.17Å; D392-R440 IonicContact OD1-NH1 2.75Å; D392-R440 PolarHBondContact OD1-NH1 3.28Å; D392-R440 IonicContact OD2-CZ 2.74Å; D392-R440 IonicContact OD2-NH1 3.62Å; D392-R440 PolarHBondContact OD2-NH1 3.38Å; D392-R440 IonicContact OD2-NH2 3.36Å; D392-R440 PolarHBondContact OD2-NH2 3.3Å; I438-R440 PolarHBondContact O-N 2.86Å; I438-R440 VanDerWaalsContact O-N 3.07Å; R440-P462 WeakPolarHBondContact O-CG 3.17Å; R440-E463 IonicContact NH2-OE1 2.71Å; R440-E463 PolarHBondContact NH2-OE1 2.86Å; R440-E463 VanDerWaalsContact NH2-OE1 3.11Å
441	L	96.4	Very high	97.3	Very high	9 Å²	9	17.8 Å²	17.8	5%	0.047	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.3	174.6	-64.3	174.3	0	0	0	109.5	H281 V437 I438 N439 Y443 Y460 Y461	H281-L441 HydrophobicContact CB-CD1 4.01Å; H281-L441 HydrophobicContact CB-CD2 4.36Å; H281-L441 HydrophobicContact CB-CG 4.09Å; V437-L441 WeakPolarHBondContact CA-O 3.41Å; I438-L441 PolarHBondContact N-O 2.9Å; I438-L441 VanDerWaalsContact N-O 3.16Å; I438-L441 WeakPolarHBondContact O-CB 3.39Å; I438-L441 PolarHBondContact O-N 2.83Å; N439-L441 PolarHBondContact O-N 3.01Å; L441-Y443 HydrophobicContact CB-CD2 4.38Å; L441-Y443 HydrophobicContact CB-CE2 3.68Å; L441-Y460 WeakPolarHBondContact CD2-O 3.32Å; L441-Y461 HydrophobicContact CD1-CE1 3.98Å; L441-Y461 HydrophobicContact CD2-CD1 3.43Å; L441-Y461 VanDerWaalsContact CD2-CD1 3.43Å; L441-Y461 HydrophobicContact CD2-CD2 4.45Å; L441-Y461 HydrophobicContact CD2-CE1 3.72Å; L441-Y461 HydrophobicContact CD2-CG 3.85Å
442	L	98.5	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.2	-179.2	-172.7	75.4	0	0	0	109.2	I391 Y396 V398 V435 V437 C459 Y460 W467	I391-L442 HydrophobicContact CD1-CB 3.85Å; Y396-L442 HydrophobicContact CD1-CD2 4.05Å; Y396-L442 HydrophobicContact CG-CD2 3.98Å; V398-L442 HydrophobicContact CG2-CD2 3.66Å; V435-L442 HydrophobicContact CG1-CD1 3.31Å; V435-L442 HydrophobicContact CG1-CG 3.94Å; V437-L442 HydrophobicContact CG2-CD1 3.5Å; L442-C459 CarbonylContact O-C 3.59Å; L442-C459 WeakPolarHBondContact O-CA 3.24Å; L442-Y460 HydrophobicContact CB-CD1 4.31Å; L442-Y460 PolarHBondContact N-O 2.73Å; L442-Y460 PolarHBondContact O-N 3.22Å; L442-W467 HydrophobicContact CD2-CH2 4.2Å; L442-W467 HydrophobicContact CD2-CZ2 4.5Å
443	Y	98.7	Very high	97.2	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.7	-179	-68.1	-103.6	0	0	0	109.7	V435 A436 I438 L441 E458 C459 M470 I489 Y507	V435-Y443 VanDerWaalsContact CA-O 3.27Å; V435-Y443 WeakPolarHBondContact CA-O 3.25Å; A436-Y443 PolarHBondContact N-O 3.26Å; A436-Y443 VanDerWaalsContact N-O 3.11Å; A436-Y443 PolarHBondContact O-N 3Å; I438-Y443 HydrophobicContact CG2-CD2 3.65Å; I438-Y443 HydrophobicContact CG2-CE2 3.17Å; L441-Y443 HydrophobicContact CB-CD2 4.38Å; L441-Y443 HydrophobicContact CB-CE2 3.68Å; Y443-E458 WeakPolarHBondContact CA-O 3.41Å; Y443-C459 HydrophobicContact CD1-CB 3.95Å; Y443-C459 HydrophobicContact CE1-CB 3.86Å; Y443-M470 HydrophobicContact CD1-CG 4.39Å; Y443-M470 HydrophobicContact CE1-CG 4.24Å; Y443-I489 HydrophobicContact CD1-CD1 3.72Å; Y443-I489 HydrophobicContact CD2-CD1 3.61Å; Y443-I489 HydrophobicContact CE1-CD1 4.22Å; Y443-I489 HydrophobicContact CE2-CD1 4.13Å; Y443-I489 HydrophobicContact CG-CD1 3.38Å; Y443-Y507 HydrophobicContact CD1-CE1 4.43Å; Y443-Y507 AromaticContact CE1-CE1 3.91Å; Y443-Y507 HydrophobicContact CE1-CE1 3.91Å
444	A	98.8	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.2	173.9	0	0	0	0	0	109.5	V398 M426 V433 C457 E458 W467	V398-A444 HydrophobicContact CG1-CB 4.26Å; M426-A444 HydrophobicContact SD-CB 3.68Å; V433-A444 HydrophobicContact CG2-CB 3.96Å; A444-C457 WeakPolarHBondContact O-CA 3.28Å; A444-E458 HydrophobicContact CB-CG 4.04Å; A444-E458 PolarHBondContact N-O 2.82Å; A444-E458 PolarHBondContact O-N 2.74Å; A444-W467 HydrophobicContact CB-CH2 3.94Å; A444-W467 HydrophobicContact CB-CZ3 3.64Å
445	V	98.8	Very high	97.2	Very high	4 Å²	4	28 Å²	28	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.8	-166.7	-168.6	0	0	0	0	111	G434 M473 V482 V491 W514	G434-V445 PolarHBondContact N-O 2.93Å; G434-V445 VanDerWaalsContact N-O 3.08Å; G434-V445 PolarHBondContact O-N 3.2Å; V445-M473 HydrophobicContact CG1-CE 3.81Å; V445-M473 HydrophobicContact CG1-CG 4.12Å; V445-M473 HydrophobicContact CG1-SD 3.49Å; V445-M473 WeakPolarHBondContact CG1-SD 3.32Å; V445-V482 HydrophobicContact CB-CG1 4.49Å; V445-V482 HydrophobicContact CB-CG2 4.41Å; V445-V482 HydrophobicContact CG2-CG1 4.18Å; V445-V491 HydrophobicContact CG1-CG2 3.77Å; V445-W514 HydrophobicContact CG1-CH2 3.89Å; V445-W514 HydrophobicContact CG1-CZ2 4.03Å
446	G	98.6	Very high	97.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	17%	0.169	C	C	.	.			trans	62.5	-143.2	176.5	0	0	0	0	0	113.7	R430 L454 S456	R430-G446 PolarHBondContact NH1-O 3.32Å; G446-L454 VanDerWaalsContact CA-O 3.32Å; G446-L454 WeakPolarHBondContact CA-O 3.27Å; G446-S456 PolarHBondContact N-O 3.11Å
447	G	98.6	Very high	97.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	17%	0.168	C	C	.	.			trans	102.5	-159.6	-177.9	0	0	0	0	0	113.3	I431 R453 L454 R477	I431-G447 CarbonylContact O-C 3.48Å; I431-G447 VanDerWaalsContact O-CA 3.3Å; I431-G447 WeakPolarHBondContact O-CA 3.49Å; G447-R453 CarbonylContact O-C 3.57Å; G447-R453 WeakPolarHBondContact O-CA 3.35Å; G447-L454 PolarHBondContact O-N 2.77Å; G447-R477 PolarHBondContact N-O 2.86Å
448	F	98.7	Very high	97.3	Very high	28 Å²	28	26.6 Å²	26.6	12%	0.123	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-135.7	129.8	179.8	176.5	-111.3	0	0	0	109.7	H406 I431 G450 A451 N452 R453	H406-F448 AromaticContact CD2-CD1 3.99Å; H406-F448 AromaticContact NE2-CD1 3.81Å; H406-F448 AromaticContact NE2-CE1 3.59Å; I431-F448 HydrophobicContact CD1-CD1 3.94Å; I431-F448 HydrophobicContact CG1-CB 3.95Å; I431-F448 HydrophobicContact CG1-CD1 3.89Å; I431-F448 HydrophobicContact CG1-CG 4.42Å; I431-F448 PolarHBondContact N-O 2.83Å; I431-F448 PolarHBondContact O-N 2.87Å; F448-G450 VanDerWaalsContact CZ-O 3.27Å; F448-G450 WeakPolarHBondContact CZ-O 3.38Å; F448-A451 VanDerWaalsContact CE2-C 3.41Å; F448-A451 WeakPolarHBondContact CE2-O 3.49Å; F448-N452 WeakPolarHBondContact CA-O 3.27Å; F448-N452 VanDerWaalsContact CD2-C 3.44Å; F448-N452 WeakPolarHBondContact CD2-O 3.46Å; F448-R453 HydrophobicContact CD2-CG 4.19Å
449	D	97.9	Very high	97.6	Very high	43 Å²	43	26 Å²	26	23%	0.23	15%	0.153	C	C	.	.			trans	-91.7	-3.5	-174.9	64.6	8.2	0	0	0	114.5	T428 R429 A451 N452 L454	T428-D449 HydrophobicContact CG2-CB 4.29Å; R429-D449 HydrophobicContact CB-CB 4.43Å; R429-D449 VanDerWaalsContact O-CA 3.23Å; R429-D449 WeakPolarHBondContact O-CA 3.38Å; R429-D449 VanDerWaalsContact O-CB 3.29Å; R429-D449 WeakPolarHBondContact O-CB 3.43Å; D449-A451 WeakPolarHBondContact OD1-CA 3.33Å; D449-A451 PolarHBondContact OD1-N 2.87Å; D449-N452 PolarHBondContact N-O 2.83Å; D449-N452 VanDerWaalsContact N-O 3.13Å; D449-N452 PolarHBondContact OD1-N 2.99Å; D449-L454 HydrophobicContact CB-CD1 4.22Å; D449-L454 HydrophobicContact CB-CD2 4.34Å
450	G	96.1	Very high	98	Very high	37 Å²	37	24.7 Å²	24.7	38%	0.381	15%	0.145	S	C	.	.	S	Bend	trans	110	-18.2	-171.5	0	0	0	0	0	113.5	F448	F448-G450 VanDerWaalsContact CZ-O 3.27Å; F448-G450 WeakPolarHBondContact CZ-O 3.38Å
451	A	96.8	Very high	98.2	Very high	69 Å²	69	25.3 Å²	25.3	57%	0.57	15%	0.148	S	C	*	.	S	Bend	trans	-126.4	-49.6	177.8	0	0	0	0	0	112.3	F448 D449	F448-A451 VanDerWaalsContact CE2-C 3.41Å; F448-A451 WeakPolarHBondContact CE2-O 3.49Å; D449-A451 WeakPolarHBondContact OD1-CA 3.33Å; D449-A451 PolarHBondContact OD1-N 2.87Å
452	N	97.9	Very high	98.2	Very high	104 Å²	104	26 Å²	26	56%	0.556	15%	0.153	S	C	*	.			trans	-120.2	145.3	-173.9	-58.5	-63.6	0	0	0	111.4	F448 D449	F448-N452 WeakPolarHBondContact CA-O 3.27Å; F448-N452 VanDerWaalsContact CD2-C 3.44Å; F448-N452 WeakPolarHBondContact CD2-O 3.46Å; D449-N452 PolarHBondContact N-O 2.83Å; D449-N452 VanDerWaalsContact N-O 3.13Å; D449-N452 PolarHBondContact OD1-N 2.99Å
453	R	98.3	Very high	98	Very high	91 Å²	91	30.2 Å²	30.2	34%	0.343	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-74.9	150.9	162.3	-71.1	80.2	-179.7	138.3	3.8	107.4	G447 F448 V476	G447-R453 CarbonylContact O-C 3.57Å; G447-R453 WeakPolarHBondContact O-CA 3.35Å; F448-R453 HydrophobicContact CD2-CG 4.19Å; R453-V476 HydrophobicContact CB-CG1 3.41Å; R453-V476 VanDerWaalsContact CB-CG1 3.41Å; R453-V476 WeakPolarHBondContact O-CG1 3.38Å
454	L	98.6	Very high	97.9	Very high	18 Å²	18	35.8 Å²	35.8	9%	0.094	20%	0.197	C	C	.	.			trans	-116.1	140.2	-168.4	-54.9	175	0	0	0	111.8	T428 R430 G446 G447 D449 V476 R477	T428-L454 HydrophobicContact CG2-CD1 3.83Å; R430-L454 HydrophobicContact CG-CD1 4.01Å; G446-L454 VanDerWaalsContact CA-O 3.32Å; G446-L454 WeakPolarHBondContact CA-O 3.27Å; G447-L454 PolarHBondContact O-N 2.77Å; D449-L454 HydrophobicContact CB-CD1 4.22Å; D449-L454 HydrophobicContact CB-CD2 4.34Å; L454-V476 VanDerWaalsContact N-CG1 3.34Å; L454-R477 PolarHBondContact O-N 3.2Å
455	S	98.4	Very high	97.8	Very high	35 Å²	35	39.5 Å²	39.5	25%	0.245	22%	0.217	C	C	.	.			trans	-100	-11.3	160.7	56.7	0	0	0	0	112.3	P472 M473	S455-P472 WeakPolarHBondContact O-CA 3.12Å; S455-M473 WeakPolarHBondContact CB-O 3.27Å; S455-M473 PolarHBondContact O-N 3.17Å
456	S	98.6	Very high	97.8	Very high	33 Å²	33	42.5 Å²	42.5	23%	0.231	23%	0.23	C	C	.	.			trans	-64.1	147.5	-177.7	62.9	0	0	0	0	111.9	R430 G446	R430-S456 PolarHBondContact NH1-O 2.79Å; R430-S456 PolarHBondContact NH1-OG 2.91Å; R430-S456 PolarHBondContact NH2-OG 2.93Å; G446-S456 PolarHBondContact N-O 3.11Å
457	C	98.3	Very high	97.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.2	176	-178.3	0	0	0	0	108.5	A444 M470	A444-C457 WeakPolarHBondContact O-CA 3.28Å; C457-M470 HydrophobicContact CB-CB 4.1Å; C457-M470 PolarHBondContact O-N 2.88Å
458	E	98.6	Very high	97.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.6	172.7	57.1	-172.8	100.6	0	0	110.8	M426 L427 T428 R430 Y443 A444 W467 R468	M426-E458 VanDerWaalsContact CA-OE2 3.26Å; M426-E458 WeakPolarHBondContact CA-OE2 3.37Å; M426-E458 WeakPolarHBondContact CB-OE2 3.35Å; L427-E458 PolarHBondContact N-OE2 3.02Å; T428-E458 WeakPolarHBondContact CB-OE1 3.38Å; T428-E458 PolarHBondContact N-OE1 2.87Å; T428-E458 PolarHBondContact OG1-OE1 2.77Å; R430-E458 IonicContact CZ-OE1 3.41Å; R430-E458 VanDerWaalsContact CZ-OE1 3.23Å; R430-E458 IonicContact NE-OE1 2.59Å; R430-E458 PolarHBondContact NE-OE1 2.77Å; R430-E458 IonicContact NH2-OE1 3.86Å; R430-E458 PolarHBondContact NH2-OE1 3.39Å; Y443-E458 WeakPolarHBondContact CA-O 3.41Å; A444-E458 HydrophobicContact CB-CG 4.04Å; A444-E458 PolarHBondContact N-O 2.82Å; A444-E458 PolarHBondContact O-N 2.74Å; E458-W467 HydrophobicContact CB-CE3 4.01Å; E458-W467 HydrophobicContact CG-CE3 3.6Å; E458-W467 HydrophobicContact CG-CZ3 3.89Å; E458-R468 CarbonylContact C-O 3.54Å; E458-R468 WeakPolarHBondContact CA-O 3.45Å; E458-R468 WeakPolarHBondContact CB-O 3.38Å
459	C	98.6	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.8	-174.1	176.6	0	0	0	0	110.1	L442 Y443 Y461 W467 R468 M470	L442-C459 CarbonylContact O-C 3.59Å; L442-C459 WeakPolarHBondContact O-CA 3.24Å; Y443-C459 HydrophobicContact CD1-CB 3.95Å; Y443-C459 HydrophobicContact CE1-CB 3.86Å; C459-Y461 HydrophobicContact CB-CE2 4.36Å; C459-W467 CarbonylContact O-C 3.53Å; C459-W467 WeakPolarHBondContact O-CA 3.49Å; C459-R468 PolarHBondContact N-O 2.99Å; C459-R468 PolarHBondContact O-N 2.96Å; C459-M470 HydrophobicContact CB-CG 3.63Å; C459-M470 HydrophobicContact CB-SD 3.67Å
460	Y	98.8	Very high	97.8	Very high	4 Å²	4	51 Å²	51	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.5	176.2	175	-105.9	0	0	0	111.5	Y396 V423 A424 L441 L442 P462 D465 E466 W467	Y396-Y460 HydrophobicContact CD1-CE1 4.32Å; Y396-Y460 HydrophobicContact CE1-CD1 4.25Å; Y396-Y460 AromaticContact CE1-CE1 3.58Å; Y396-Y460 HydrophobicContact CE1-CE1 3.58Å; V423-Y460 HydrophobicContact CB-CE2 4.47Å; V423-Y460 HydrophobicContact CG2-CE2 4.36Å; A424-Y460 HydrophobicContact CB-CE2 4.31Å; L441-Y460 WeakPolarHBondContact CD2-O 3.32Å; L442-Y460 HydrophobicContact CB-CD1 4.31Å; L442-Y460 PolarHBondContact N-O 2.73Å; L442-Y460 PolarHBondContact O-N 3.22Å; Y460-P462 HydrophobicContact CD1-CG 4.01Å; Y460-P462 HydrophobicContact CE1-CB 3.97Å; Y460-P462 HydrophobicContact CE1-CG 3.84Å; Y460-P462 WeakPolarHBondContact O-CD 3.27Å; Y460-D465 WeakPolarHBondContact CE2-OD1 3.36Å; Y460-D465 PolarHBondContact OH-OD1 2.84Å; Y460-E466 WeakPolarHBondContact CA-O 3.4Å; Y460-E466 WeakPolarHBondContact CD2-O 3.44Å; Y460-W467 AromaticContact CD2-CD1 3.73Å; Y460-W467 HydrophobicContact CD2-CD2 4.15Å; Y460-W467 AromaticContact CD2-CE2 3.66Å; Y460-W467 HydrophobicContact CD2-CG 4.18Å; Y460-W467 HydrophobicContact CD2-CZ2 4.14Å; Y460-W467 AromaticContact CD2-NE1 3.38Å; Y460-W467 HydrophobicContact CG-CD2 4.36Å; Y460-W467 AromaticContact CG-CE2 3.9Å; Y460-W467 AromaticContact CG-CZ2 3.97Å; Y460-W467 HydrophobicContact CG-CZ2 3.97Å
461	Y	97.7	Very high	97.9	Very high	44 Å²	44	50.2 Å²	50.2	17%	0.173	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	101.2	178.1	-71.6	-98.1	0	0	0	109.7	L441 C459 E463 K464 D465 E466 R468	L441-Y461 HydrophobicContact CD1-CE1 3.98Å; L441-Y461 HydrophobicContact CD2-CD1 3.43Å; L441-Y461 VanDerWaalsContact CD2-CD1 3.43Å; L441-Y461 HydrophobicContact CD2-CD2 4.45Å; L441-Y461 HydrophobicContact CD2-CE1 3.72Å; L441-Y461 HydrophobicContact CD2-CG 3.85Å; C459-Y461 HydrophobicContact CB-CE2 4.36Å; Y461-E463 VanDerWaalsContact C-N 3.28Å; Y461-E463 PolarHBondContact O-N 2.87Å; Y461-K464 PolarHBondContact O-N 3.39Å; Y461-K464 VanDerWaalsContact O-N 3.13Å; Y461-D465 PolarHBondContact O-N 3.08Å; Y461-E466 PolarHBondContact N-O 2.77Å; Y461-R468 HydrophobicContact CD2-CG 4.05Å; Y461-R468 HydrophobicContact CE2-CB 4.08Å; Y461-R468 VanDerWaalsContact CE2-CD 3.46Å; Y461-R468 HydrophobicContact CE2-CG 3.8Å
462	P	96.5	Very high	98	Very high	23 Å²	23	50.6 Å²	50.6	15%	0.149	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.2	-174.2	-25.1	34	0	0	0	114.5	I391 R440 Y460 K464	I391-P462 HydrophobicContact CD1-CG 3.91Å; R440-P462 WeakPolarHBondContact O-CG 3.17Å; Y460-P462 HydrophobicContact CD1-CG 4.01Å; Y460-P462 HydrophobicContact CE1-CB 3.97Å; Y460-P462 HydrophobicContact CE1-CG 3.84Å; Y460-P462 WeakPolarHBondContact O-CD 3.27Å; P462-K464 VanDerWaalsContact C-N 3.28Å; P462-K464 PolarHBondContact O-N 3.44Å
463	E	94.1	Very high	98	Very high	89 Å²	89	46 Å²	46	42%	0.416	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.1	-177.8	-52.6	-56.3	153.7	0	0	113	R440 Y461	R440-E463 IonicContact NH2-OE1 2.71Å; R440-E463 PolarHBondContact NH2-OE1 2.86Å; R440-E463 VanDerWaalsContact NH2-OE1 3.11Å; Y461-E463 VanDerWaalsContact C-N 3.28Å; Y461-E463 PolarHBondContact O-N 2.87Å
464	K	96.2	Very high	98	Very high	125 Å²	125	47.3 Å²	47.3	54%	0.543	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-10.7	-179.6	-67.5	-177.3	-175.4	177.5	0	113.3	Y461 P462 E466 R468	Y461-K464 PolarHBondContact O-N 3.39Å; Y461-K464 VanDerWaalsContact O-N 3.13Å; P462-K464 VanDerWaalsContact C-N 3.28Å; P462-K464 PolarHBondContact O-N 3.44Å; K464-E466 VanDerWaalsContact C-N 3.34Å; K464-E466 HydrophobicContact CB-CG 3.76Å; K464-E466 HydrophobicContact CD-CG 4.43Å; K464-E466 WeakPolarHBondContact CD-OE1 3.22Å; K464-E466 PolarHBondContact O-N 3.11Å; K464-R468 VanDerWaalsContact NZ-NH2 3.19Å
465	D	97.9	Very high	97.9	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	53.8	-172.1	-166.1	26	0	0	0	111.6	V423 A424 Y460 Y461	V423-D465 WeakPolarHBondContact CB-OD1 3.43Å; A424-D465 WeakPolarHBondContact CB-O 3.36Å; A424-D465 VanDerWaalsContact CB-OD1 3.27Å; A424-D465 WeakPolarHBondContact CB-OD1 3.3Å; A424-D465 PolarHBondContact N-OD1 3.44Å; Y460-D465 WeakPolarHBondContact CE2-OD1 3.36Å; Y460-D465 PolarHBondContact OH-OD1 2.84Å; Y461-D465 PolarHBondContact O-N 3.08Å
466	E	98.4	Very high	97.9	Very high	66 Å²	66	49 Å²	49	31%	0.308	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.5	-178.1	74	-178.7	-173.6	0	0	112.7	Y460 Y461 K464 R468	Y460-E466 WeakPolarHBondContact CA-O 3.4Å; Y460-E466 WeakPolarHBondContact CD2-O 3.44Å; Y461-E466 PolarHBondContact N-O 2.77Å; K464-E466 VanDerWaalsContact C-N 3.34Å; K464-E466 HydrophobicContact CB-CG 3.76Å; K464-E466 HydrophobicContact CD-CG 4.43Å; K464-E466 WeakPolarHBondContact CD-OE1 3.22Å; K464-E466 PolarHBondContact O-N 3.11Å; E466-R468 IonicContact OE1-CZ 3.17Å; E466-R468 IonicContact OE1-NE 3.84Å; E466-R468 PolarHBondContact OE1-NE 2.88Å; E466-R468 IonicContact OE1-NH2 2.67Å; E466-R468 PolarHBondContact OE1-NH2 3.27Å
467	W	98.8	Very high	97.9	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.2	173.1	-71.1	85	0	0	0	111.1	V398 V410 A424 P425 M426 L427 L442 A444 E458 C459 Y460	V398-W467 HydrophobicContact CG1-CH2 4.24Å; V410-W467 HydrophobicContact CG1-CZ2 4.49Å; V410-W467 HydrophobicContact CG2-CZ2 3.81Å; A424-W467 PolarHBondContact O-NE1 3.4Å; P425-W467 VanDerWaalsContact C-CD1 3.48Å; M426-W467 HydrophobicContact CB-CD2 4.42Å; M426-W467 HydrophobicContact CG-CD2 3.82Å; M426-W467 HydrophobicContact CG-CE3 4Å; M426-W467 HydrophobicContact CG-CH2 3.72Å; M426-W467 HydrophobicContact CG-CZ2 3.52Å; M426-W467 HydrophobicContact CG-CZ3 3.95Å; M426-W467 HydrophobicContact SD-CH2 4.18Å; M426-W467 HydrophobicContact SD-CZ2 4.46Å; M426-W467 HydrophobicContact SD-CZ3 4.43Å; L427-W467 HydrophobicContact CD2-CB 4.28Å; L427-W467 HydrophobicContact CG-CB 3.93Å; L442-W467 HydrophobicContact CD2-CH2 4.2Å; L442-W467 HydrophobicContact CD2-CZ2 4.5Å; A444-W467 HydrophobicContact CB-CH2 3.94Å; A444-W467 HydrophobicContact CB-CZ3 3.64Å; E458-W467 HydrophobicContact CB-CE3 4.01Å; E458-W467 HydrophobicContact CG-CE3 3.6Å; E458-W467 HydrophobicContact CG-CZ3 3.89Å; C459-W467 CarbonylContact O-C 3.53Å; C459-W467 WeakPolarHBondContact O-CA 3.49Å; Y460-W467 AromaticContact CD2-CD1 3.73Å; Y460-W467 HydrophobicContact CD2-CD2 4.15Å; Y460-W467 AromaticContact CD2-CE2 3.66Å; Y460-W467 HydrophobicContact CD2-CG 4.18Å; Y460-W467 HydrophobicContact CD2-CZ2 4.14Å; Y460-W467 AromaticContact CD2-NE1 3.38Å; Y460-W467 HydrophobicContact CG-CD2 4.36Å; Y460-W467 AromaticContact CG-CE2 3.9Å; Y460-W467 AromaticContact CG-CZ2 3.97Å; Y460-W467 HydrophobicContact CG-CZ2 3.97Å
468	R	98.4	Very high	97.9	Very high	102 Å²	102	47.6 Å²	47.6	39%	0.385	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.1	175.6	-58.3	-173.6	-176.7	-163.2	-10.9	110.8	E458 C459 Y461 K464 E466	E458-R468 CarbonylContact C-O 3.54Å; E458-R468 WeakPolarHBondContact CA-O 3.45Å; E458-R468 WeakPolarHBondContact CB-O 3.38Å; C459-R468 PolarHBondContact N-O 2.99Å; C459-R468 PolarHBondContact O-N 2.96Å; Y461-R468 HydrophobicContact CD2-CG 4.05Å; Y461-R468 HydrophobicContact CE2-CB 4.08Å; Y461-R468 VanDerWaalsContact CE2-CD 3.46Å; Y461-R468 HydrophobicContact CE2-CG 3.8Å; K464-R468 VanDerWaalsContact NZ-NH2 3.19Å; E466-R468 IonicContact OE1-CZ 3.17Å; E466-R468 IonicContact OE1-NE 3.84Å; E466-R468 PolarHBondContact OE1-NE 2.88Å; E466-R468 IonicContact OE1-NH2 2.67Å; E466-R468 PolarHBondContact OE1-NH2 3.27Å
469	T	98.3	Very high	97.9	Very high	104 Å²	104	47.9 Å²	47.9	64%	0.638	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.8	173.9	-54.3	0	0	0	0	110.6
470	M	98.2	Very high	97.9	Very high	28 Å²	28	48.6 Å²	48.6	14%	0.138	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	173	173.3	-53.4	-51.2	-58.1	0	0	110.4	Y443 C457 C459 Y507	Y443-M470 HydrophobicContact CD1-CG 4.39Å; Y443-M470 HydrophobicContact CE1-CG 4.24Å; C457-M470 HydrophobicContact CB-CB 4.1Å; C457-M470 PolarHBondContact O-N 2.88Å; C459-M470 HydrophobicContact CB-CG 3.63Å; C459-M470 HydrophobicContact CB-SD 3.67Å; M470-Y507 WeakPolarHBondContact CE-OH 3.43Å
471	A	98.1	Very high	97.9	Very high	21 Å²	21	48.5 Å²	48.5	17%	0.174	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-55	133.3	175.1	0	0	0	0	0	111.3	Y507 D512 W514	A471-Y507 HydrophobicContact CB-CE2 4.33Å; A471-D512 WeakPolarHBondContact CB-O 3.43Å; A471-D512 WeakPolarHBondContact CB-OD1 3.49Å; A471-D512 PolarHBondContact N-OD1 3.2Å; A471-W514 PolarHBondContact O-NE1 2.86Å
472	P	98.4	Very high	97.9	Very high	77 Å²	77	47 Å²	47	50%	0.5	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-74.3	151.8	178.3	31.8	-34.9	0	0	0	111	S455 W514	S455-P472 WeakPolarHBondContact O-CA 3.12Å; P472-W514 VanDerWaalsContact C-CD1 3.5Å
473	M	98.4	Very high	97.9	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.039	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60.9	158.1	169.5	-64.9	179.4	-66	0	0	111.1	V445 S455 T475 R477 V491 W514	V445-M473 HydrophobicContact CG1-CE 3.81Å; V445-M473 HydrophobicContact CG1-CG 4.12Å; V445-M473 HydrophobicContact CG1-SD 3.49Å; V445-M473 WeakPolarHBondContact CG1-SD 3.32Å; S455-M473 WeakPolarHBondContact CB-O 3.27Å; S455-M473 PolarHBondContact O-N 3.17Å; M473-T475 VanDerWaalsContact C-N 3.32Å; M473-T475 WeakPolarHBondContact CB-O 3.32Å; M473-R477 HydrophobicContact CE-CB 4.04Å; M473-R477 HydrophobicContact CE-CG 4.26Å; M473-R477 HydrophobicContact SD-CG 4.49Å; M473-V491 HydrophobicContact SD-CB 4.1Å; M473-V491 HydrophobicContact SD-CG1 3.76Å; M473-V491 HydrophobicContact SD-CG2 3.9Å; M473-W514 HydrophobicContact CB-CD2 4.43Å; M473-W514 HydrophobicContact CG-CD2 3.85Å; M473-W514 HydrophobicContact CG-CE3 4.04Å; M473-W514 HydrophobicContact CG-CH2 3.73Å; M473-W514 HydrophobicContact CG-CZ2 3.49Å; M473-W514 VanDerWaalsContact CG-CZ2 3.49Å; M473-W514 HydrophobicContact CG-CZ3 3.98Å; M473-W514 HydrophobicContact SD-CH2 4.2Å; M473-W514 HydrophobicContact SD-CZ2 4.43Å; M473-W514 HydrophobicContact SD-CZ3 4.46Å
474	N	97.7	Very high	98	Very high	117 Å²	117	43.8 Å²	43.8	63%	0.626	24%	0.241	S	C	*	.	S	Bend	trans	-70.8	-33.7	173.4	-56.8	-74.9	0	0	0	111.2	E505	N474-E505 VanDerWaalsContact CB-OE2 3.24Å; N474-E505 WeakPolarHBondContact CB-OE2 3.2Å; N474-E505 PolarHBondContact N-OE2 3.22Å; N474-E505 PolarHBondContact ND2-OE2 2.95Å
475	T	97.8	Very high	97.8	Very high	41 Å²	41	39.3 Å²	39.3	25%	0.252	22%	0.222	S	C	.	.	S	Bend	trans	-112.2	140.4	-179.6	-40.3	0	0	0	0	111.1	M473 L501 E505	M473-T475 VanDerWaalsContact C-N 3.32Å; M473-T475 WeakPolarHBondContact CB-O 3.32Å; T475-L501 HydrophobicContact CG2-CD1 3.86Å; T475-E505 WeakPolarHBondContact CB-OE1 3.5Å; T475-E505 PolarHBondContact N-OE1 3.16Å; T475-E505 VanDerWaalsContact N-OE1 3.15Å; T475-E505 PolarHBondContact OG1-OE1 3.07Å
476	V	98.4	Very high	97.3	Very high	49 Å²	49	39 Å²	39	30%	0.297	24%	0.238	S	C	.	.			trans	-73.1	130.8	172.4	-172.1	0	0	0	0	109.6	R453 L454 D496	R453-V476 HydrophobicContact CB-CG1 3.41Å; R453-V476 VanDerWaalsContact CB-CG1 3.41Å; R453-V476 WeakPolarHBondContact O-CG1 3.38Å; L454-V476 VanDerWaalsContact N-CG1 3.34Å; V476-D496 WeakPolarHBondContact O-CA 3.41Å; V476-D496 WeakPolarHBondContact O-CB 3.32Å
477	R	98.5	Very high	96.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	24%	0.236	C	C	.	.			trans	-142.4	130.3	-174.5	-57.7	176.6	-174.9	-95.6	-0.8	112	G447 L454 M473 A480 V491 G493 L501 T503 E505	G447-R477 PolarHBondContact N-O 2.86Å; L454-R477 PolarHBondContact O-N 3.2Å; M473-R477 HydrophobicContact CE-CB 4.04Å; M473-R477 HydrophobicContact CE-CG 4.26Å; M473-R477 HydrophobicContact SD-CG 4.49Å; R477-A480 HydrophobicContact CB-CB 4.12Å; R477-V491 VanDerWaalsContact CD-CG1 3.45Å; R477-G493 PolarHBondContact NH1-O 3.11Å; R477-L501 HydrophobicContact CG-CD1 3.89Å; R477-T503 PolarHBondContact NH1-O 2.77Å; R477-T503 PolarHBondContact NH1-OG1 3.42Å; R477-T503 PolarHBondContact NH2-OG1 3.41Å; R477-E505 IonicContact CZ-OE1 3.05Å; R477-E505 IonicContact NE-OE1 3.02Å; R477-E505 PolarHBondContact NE-OE1 3.3Å; R477-E505 IonicContact NH2-OE1 2.64Å; R477-E505 PolarHBondContact NH2-OE1 3.5Å
478	S	98.3	Very high	96.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-122.4	141.1	164.7	68.5	0	0	0	0	110.9	A480 G494 Y495	S478-A480 VanDerWaalsContact C-N 3.27Å; S478-A480 PolarHBondContact O-N 2.79Å; S478-G494 CarbonylContact O-C 3.58Å; S478-G494 WeakPolarHBondContact O-CA 3.47Å; S478-Y495 PolarHBondContact N-O 2.99Å; S478-Y495 PolarHBondContact O-N 3.33Å; S478-Y495 PolarHBondContact OG-O 3.11Å; S478-Y495 VanDerWaalsContact OG-O 3.11Å
479	G	97.9	Very high	96.5	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	23%	0.225	C	C	.	.	S	Bend	trans	61.7	33.9	-176.2	0	0	0	0	0	113.6	G432 A526	G432-G479 PolarHBondContact O-N 3.48Å; G479-A526 PolarHBondContact O-N 3.13Å
480	A	98.6	Very high	96.5	Very high	15 Å²	15	30 Å²	30	12%	0.124	20%	0.195	C	C	.	.			trans	-78.6	155.5	170.1	0	0	0	0	0	110.5	R477 S478 V491 M492	R477-A480 HydrophobicContact CB-CB 4.12Å; S478-A480 VanDerWaalsContact C-N 3.27Å; S478-A480 PolarHBondContact O-N 2.79Å; A480-V491 HydrophobicContact CB-CG1 3.69Å; A480-M492 WeakPolarHBondContact CB-O 3.46Å
481	G	98.4	Very high	96.5	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.1	167.1	0	0	0	0	0	108.8	V491 M492 L527	G481-V491 WeakPolarHBondContact O-CA 3.37Å; G481-M492 PolarHBondContact N-O 3.06Å; G481-M492 WeakPolarHBondContact O-CE 3.45Å; G481-M492 PolarHBondContact O-N 2.78Å; G481-L527 VanDerWaalsContact N-CD2 3.29Å
482	V	98.6	Very high	96.5	Very high	12 Å²	12	27.7 Å²	27.7	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.8	177.4	-178	0	0	0	0	109.8	A436 V445 I489 F490 V491 V529	A436-V482 HydrophobicContact CB-CG1 3.93Å; V445-V482 HydrophobicContact CB-CG1 4.49Å; V445-V482 HydrophobicContact CB-CG2 4.41Å; V445-V482 HydrophobicContact CG2-CG1 4.18Å; V482-I489 HydrophobicContact CG1-CG2 3.69Å; V482-F490 VanDerWaalsContact CA-O 3.29Å; V482-F490 WeakPolarHBondContact CA-O 3.31Å; V482-V491 HydrophobicContact CG1-CG2 4.29Å; V482-V491 HydrophobicContact CG2-CB 4.24Å; V482-V491 HydrophobicContact CG2-CG1 3.91Å; V482-V491 HydrophobicContact CG2-CG2 3.86Å; V482-V529 WeakPolarHBondContact O-CG1 3.44Å
483	C	97.4	Very high	96.5	Very high	13 Å²	13	24 Å²	24	9%	0.088	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158	174.1	68.1	0	0	0	0	111.2	F490 V529	C483-F490 PolarHBondContact N-O 3.19Å; C483-F490 VanDerWaalsContact N-O 3.15Å; C483-F490 PolarHBondContact O-N 3.2Å; C483-V529 HydrophobicContact CB-CG2 4.11Å
484	A	95.1	Very high	96.5	Very high	31 Å²	31	23.7 Å²	23.7	26%	0.256	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.6	170.9	0	0	0	0	0	110.4	A436 V437 Q488	A436-A484 HydrophobicContact CB-CB 4.41Å; V437-A484 WeakPolarHBondContact O-CB 3.41Å; A484-Q488 WeakPolarHBondContact CA-O 3.18Å
485	L	92.7	Very high	96.6	Very high	31 Å²	31	21 Å²	21	16%	0.162	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	122.7	170	-176.6	73.8	0	0	0	108.6	N487 Q488 F490 A531 I536 P556	L485-N487 PolarHBondContact O-N 2.61Å; L485-Q488 PolarHBondContact N-O 3.13Å; L485-Q488 PolarHBondContact O-N 3.28Å; L485-F490 HydrophobicContact CB-CD2 4.21Å; L485-F490 HydrophobicContact CB-CE2 4.09Å; L485-A531 HydrophobicContact CD1-CB 4.16Å; L485-I536 HydrophobicContact CB-CD1 4.2Å; L485-I536 HydrophobicContact CB-CG1 4.35Å; L485-I536 HydrophobicContact CD2-CD1 4.09Å; L485-I536 HydrophobicContact CD2-CG1 4.03Å; L485-P556 HydrophobicContact CD2-CB 4.06Å; L485-P556 HydrophobicContact CD2-CG 3.83Å
486	G	86.3	Confident	96.6	Very high	72 Å²	72	21.3 Å²	21.3	74%	0.742	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-132.3	-170.7	0	0	0	0	0	111
487	N	86.8	Confident	96.4	Very high	49 Å²	49	20.5 Å²	20.5	26%	0.262	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	26.2	176.6	-157.3	37.3	0	0	0	112.9	I438 N439 L485 V509 E510	I438-N487 VanDerWaalsContact CD1-CA 3.46Å; I438-N487 HydrophobicContact CD1-CB 4.47Å; N439-N487 PolarHBondContact ND2-OD1 3.34Å; L485-N487 PolarHBondContact O-N 2.61Å; N487-V509 VanDerWaalsContact OD1-CG2 3.3Å; N487-V509 WeakPolarHBondContact OD1-CG2 3.23Å; N487-E510 PolarHBondContact ND2-OE1 2.77Å; N487-E510 VanDerWaalsContact ND2-OE1 3.16Å
488	Q	93.7	Very high	96.3	Very high	49 Å²	49	25.5 Å²	25.5	23%	0.229	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.2	-175.5	-64	-175.7	-40.6	0	0	111.9	A484 L485 F490 Y507	A484-Q488 WeakPolarHBondContact CA-O 3.18Å; L485-Q488 PolarHBondContact N-O 3.13Å; L485-Q488 PolarHBondContact O-N 3.28Å; Q488-F490 HydrophobicContact CB-CD2 4.44Å; Q488-F490 HydrophobicContact CB-CE2 3.87Å; Q488-Y507 WeakPolarHBondContact CA-O 3.26Å
489	I	97.9	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.5	173.1	-60.9	172.1	0	0	0	108.6	A436 I438 Y443 V482 R506 Y507	A436-I489 HydrophobicContact CB-CD1 4.19Å; A436-I489 HydrophobicContact CB-CG1 4.07Å; A436-I489 HydrophobicContact CB-CG2 3.81Å; I438-I489 HydrophobicContact CG2-CD1 3.93Å; I438-I489 HydrophobicContact CG2-CG1 4.16Å; Y443-I489 HydrophobicContact CD1-CD1 3.72Å; Y443-I489 HydrophobicContact CD2-CD1 3.61Å; Y443-I489 HydrophobicContact CE1-CD1 4.22Å; Y443-I489 HydrophobicContact CE2-CD1 4.13Å; Y443-I489 HydrophobicContact CG-CD1 3.38Å; V482-I489 HydrophobicContact CG1-CG2 3.69Å; I489-R506 CarbonylContact O-C 3.48Å; I489-R506 VanDerWaalsContact O-CA 3.23Å; I489-R506 WeakPolarHBondContact O-CA 3.24Å; I489-Y507 HydrophobicContact CB-CD1 4.49Å; I489-Y507 HydrophobicContact CD1-CD1 4.08Å; I489-Y507 PolarHBondContact N-O 3.12Å; I489-Y507 PolarHBondContact O-N 3.39Å
490	F	98.6	Very high	96.3	Very high	3 Å²	3	30 Å²	30	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.8	177	-71.9	-102.9	0	0	0	110.4	V482 C483 L485 Q488 M492 V504 E505 R506 A517 I536 Y554	V482-F490 VanDerWaalsContact CA-O 3.29Å; V482-F490 WeakPolarHBondContact CA-O 3.31Å; C483-F490 PolarHBondContact N-O 3.19Å; C483-F490 VanDerWaalsContact N-O 3.15Å; C483-F490 PolarHBondContact O-N 3.2Å; L485-F490 HydrophobicContact CB-CD2 4.21Å; L485-F490 HydrophobicContact CB-CE2 4.09Å; Q488-F490 HydrophobicContact CB-CD2 4.44Å; Q488-F490 HydrophobicContact CB-CE2 3.87Å; F490-M492 HydrophobicContact CB-CE 3.86Å; F490-V504 HydrophobicContact CD1-CG1 4.19Å; F490-E505 CarbonylContact C-O 3.49Å; F490-E505 WeakPolarHBondContact CA-O 3.4Å; F490-R506 HydrophobicContact CD1-CB 3.83Å; F490-R506 HydrophobicContact CD2-CB 4.49Å; F490-R506 HydrophobicContact CE1-CB 3.75Å; F490-R506 HydrophobicContact CE1-CG 4.44Å; F490-R506 HydrophobicContact CE2-CB 4.4Å; F490-R506 HydrophobicContact CG-CB 4.21Å; F490-R506 HydrophobicContact CZ-CB 4.05Å; F490-A517 HydrophobicContact CE1-CB 4.41Å; F490-I536 HydrophobicContact CB-CD1 3.86Å; F490-I536 HydrophobicContact CD1-CD1 4.06Å; F490-I536 HydrophobicContact CD2-CD1 3.74Å; F490-I536 HydrophobicContact CE2-CD1 4.31Å; F490-I536 HydrophobicContact CG-CD1 3.61Å; F490-Y554 HydrophobicContact CD1-CE1 4.36Å; F490-Y554 AromaticContact CE1-CE1 3.67Å; F490-Y554 HydrophobicContact CE1-CE1 3.67Å; F490-Y554 HydrophobicContact CZ-CE1 4.12Å
491	V	98.6	Very high	96.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.2	174.2	-175.8	0	0	0	0	108.8	V445 M473 R477 A480 G481 V482 V504 E505 W514	V445-V491 HydrophobicContact CG1-CG2 3.77Å; M473-V491 HydrophobicContact SD-CB 4.1Å; M473-V491 HydrophobicContact SD-CG1 3.76Å; M473-V491 HydrophobicContact SD-CG2 3.9Å; R477-V491 VanDerWaalsContact CD-CG1 3.45Å; A480-V491 HydrophobicContact CB-CG1 3.69Å; G481-V491 WeakPolarHBondContact O-CA 3.37Å; V482-V491 HydrophobicContact CG1-CG2 4.29Å; V482-V491 HydrophobicContact CG2-CB 4.24Å; V482-V491 HydrophobicContact CG2-CG1 3.91Å; V482-V491 HydrophobicContact CG2-CG2 3.86Å; V491-V504 WeakPolarHBondContact O-CA 3.45Å; V491-E505 PolarHBondContact N-O 3.46Å; V491-E505 PolarHBondContact O-N 2.86Å; V491-W514 HydrophobicContact CB-CH2 4.48Å; V491-W514 HydrophobicContact CB-CZ3 4.18Å; V491-W514 HydrophobicContact CG2-CH2 3.35Å; V491-W514 HydrophobicContact CG2-CZ3 3.44Å; V491-W514 VanDerWaalsContact CG2-CZ3 3.44Å
492	M	98.5	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.3	-170	-66.8	149.5	-77.8	0	0	110.5	A480 G481 F490 V504 M520 L527 V529 I536 V538 W561	A480-M492 WeakPolarHBondContact CB-O 3.46Å; G481-M492 PolarHBondContact N-O 3.06Å; G481-M492 WeakPolarHBondContact O-CE 3.45Å; G481-M492 PolarHBondContact O-N 2.78Å; F490-M492 HydrophobicContact CB-CE 3.86Å; M492-V504 HydrophobicContact CB-CG2 4.25Å; M492-V504 HydrophobicContact CG-CB 4.28Å; M492-V504 HydrophobicContact CG-CG1 3.6Å; M492-V504 HydrophobicContact CG-CG2 3.77Å; M492-M520 HydrophobicContact CB-CE 4.24Å; M492-M520 HydrophobicContact CB-SD 4.01Å; M492-L527 HydrophobicContact CB-CD1 4.4Å; M492-V529 HydrophobicContact CE-CG2 3.58Å; M492-V529 HydrophobicContact SD-CG2 4.28Å; M492-I536 HydrophobicContact CE-CG2 4.01Å; M492-I536 HydrophobicContact SD-CG2 3.6Å; M492-I536 VanDerWaalsContact SD-CG2 3.6Å; M492-V538 HydrophobicContact CB-CG1 4.47Å; M492-V538 HydrophobicContact SD-CG1 3.81Å; M492-W561 HydrophobicContact CG-CH2 4.18Å; M492-W561 HydrophobicContact CG-CZ2 4Å; M492-W561 HydrophobicContact SD-CH2 3.61Å; M492-W561 HydrophobicContact SD-CZ2 3.93Å
493	G	98.6	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.208	C	C	.	.			trans	62	-138.8	175.6	0	0	0	0	0	113.6	R477 L501 T503	R477-G493 PolarHBondContact NH1-O 3.11Å; G493-L501 WeakPolarHBondContact CA-O 3.36Å; G493-T503 PolarHBondContact N-O 2.68Å; G493-T503 VanDerWaalsContact N-O 3.13Å
494	G	98.6	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.			trans	96.7	-168.2	-173.3	0	0	0	0	0	113.1	S478 Q500 L501 R524	S478-G494 CarbonylContact O-C 3.58Å; S478-G494 WeakPolarHBondContact O-CA 3.47Å; G494-Q500 WeakPolarHBondContact O-CA 3.34Å; G494-L501 PolarHBondContact O-N 3.38Å; G494-R524 PolarHBondContact N-O 2.77Å
495	Y	98.7	Very high	96.5	Very high	61 Å²	61	31.7 Å²	31.7	24%	0.239	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-128.9	124.2	-178.5	-178.5	-115.6	0	0	0	110.6	S478 G497 T498 N499 Q500	S478-Y495 PolarHBondContact N-O 2.99Å; S478-Y495 PolarHBondContact O-N 3.33Å; S478-Y495 PolarHBondContact OG-O 3.11Å; S478-Y495 VanDerWaalsContact OG-O 3.11Å; Y495-G497 VanDerWaalsContact OH-C 3.25Å; Y495-G497 PolarHBondContact OH-O 3.12Å; Y495-T498 VanDerWaalsContact CE2-C 3.49Å; Y495-N499 VanDerWaalsContact CD2-C 3.49Å; Y495-N499 VanDerWaalsContact CD2-O 3.25Å; Y495-N499 WeakPolarHBondContact CD2-O 3.33Å; Y495-Q500 HydrophobicContact CD2-CG 4.49Å
496	D	97.6	Very high	96.8	Very high	48 Å²	48	33.6 Å²	33.6	26%	0.257	20%	0.197	S	C	.	.			trans	-86.2	-5.8	-177.4	64.8	9.8	0	0	0	113.7	V476 T498 N499 L501	V476-D496 WeakPolarHBondContact O-CA 3.41Å; V476-D496 WeakPolarHBondContact O-CB 3.32Å; D496-T498 WeakPolarHBondContact OD1-CA 3.45Å; D496-T498 PolarHBondContact OD1-N 3.49Å; D496-N499 PolarHBondContact N-O 2.83Å; D496-N499 PolarHBondContact OD1-N 3.19Å; D496-L501 HydrophobicContact CB-CD1 4.26Å; D496-L501 HydrophobicContact CB-CD2 4.44Å
497	G	95.5	Very high	97.4	Very high	31 Å²	31	30.1 Å²	30.1	32%	0.32	16%	0.162	S	C	.	.	S	Bend	trans	108.7	-13.9	-172.7	0	0	0	0	0	113.8	Y495	Y495-G497 VanDerWaalsContact OH-C 3.25Å; Y495-G497 PolarHBondContact OH-O 3.12Å
498	T	96.1	Very high	97.7	Very high	108 Å²	108	29.7 Å²	29.7	66%	0.663	16%	0.16	S	C	*	.	S	Bend	trans	-127.2	-49.5	177.5	-50.9	0	0	0	0	111.3	Y495 D496	Y495-T498 VanDerWaalsContact CE2-C 3.49Å; D496-T498 WeakPolarHBondContact OD1-CA 3.45Å; D496-T498 PolarHBondContact OD1-N 3.49Å
499	N	97.6	Very high	97.6	Very high	72 Å²	72	28.5 Å²	28.5	39%	0.385	16%	0.156	S	C	.	.			trans	-124.3	146.5	-172.1	-60.7	-75	0	0	0	112.2	Y495 D496	Y495-N499 VanDerWaalsContact CD2-C 3.49Å; Y495-N499 VanDerWaalsContact CD2-O 3.25Å; Y495-N499 WeakPolarHBondContact CD2-O 3.33Å; D496-N499 PolarHBondContact N-O 2.83Å; D496-N499 PolarHBondContact OD1-N 3.19Å
500	Q	98.6	Very high	97.3	Very high	32 Å²	32	34.8 Å²	34.8	15%	0.15	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-69.9	139.2	159	-67.4	72.7	23.3	0	0	109.1	G494 Y495 R523 Y542 D543	G494-Q500 WeakPolarHBondContact O-CA 3.34Å; Y495-Q500 HydrophobicContact CD2-CG 4.49Å; Q500-R523 HydrophobicContact CB-CB 4Å; Q500-R523 VanDerWaalsContact O-CD 3.3Å; Q500-R523 WeakPolarHBondContact O-CD 3.49Å; Q500-Y542 WeakPolarHBondContact CG-O 3.43Å; Q500-D543 PolarHBondContact OE1-O 2.8Å
501	L	98.7	Very high	97	Very high	17 Å²	17	38.5 Å²	38.5	9%	0.089	21%	0.208	C	C	.	.			trans	-105.1	148.2	-173.9	-57.4	174.6	0	0	0	111	T475 R477 G493 G494 D496 R523 R524	T475-L501 HydrophobicContact CG2-CD1 3.86Å; R477-L501 HydrophobicContact CG-CD1 3.89Å; G493-L501 WeakPolarHBondContact CA-O 3.36Å; G494-L501 PolarHBondContact O-N 3.38Å; D496-L501 HydrophobicContact CB-CD1 4.26Å; D496-L501 HydrophobicContact CB-CD2 4.44Å; L501-R523 WeakPolarHBondContact O-CA 3.38Å; L501-R524 PolarHBondContact O-N 2.72Å
502	N	98.6	Very high	96.9	Very high	42 Å²	42	41.6 Å²	41.6	23%	0.225	23%	0.225	C	C	.	.			trans	-114.5	-6.2	164.7	67.7	-29.8	0	0	0	112.5	S519 M520 H522 R523	N502-S519 WeakPolarHBondContact O-CA 3.4Å; N502-M520 HydrophobicContact CB-CB 4.28Å; N502-M520 WeakPolarHBondContact CB-O 3.43Å; N502-M520 PolarHBondContact ND2-O 3.28Å; N502-M520 PolarHBondContact O-N 2.86Å; N502-H522 VanDerWaalsContact CB-O 3.3Å; N502-H522 WeakPolarHBondContact CB-O 3.28Å; N502-R523 HydrophobicContact CB-CB 4.45Å; N502-R523 HydrophobicContact CB-CG 3.87Å
503	T	98.7	Very high	96.9	Very high	46 Å²	46	45.1 Å²	45.1	28%	0.282	25%	0.246	S	C	.	.			trans	-67.8	148.4	179.8	56.9	0	0	0	0	111.1	R477 G493	R477-T503 PolarHBondContact NH1-O 2.77Å; R477-T503 PolarHBondContact NH1-OG1 3.42Å; R477-T503 PolarHBondContact NH2-OG1 3.41Å; G493-T503 PolarHBondContact N-O 2.68Å; G493-T503 VanDerWaalsContact N-O 3.13Å
504	V	98.8	Very high	96.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.9	-179	-176.6	0	0	0	0	108.9	F490 V491 M492 A517 A518 M520 W561	F490-V504 HydrophobicContact CD1-CG1 4.19Å; V491-V504 WeakPolarHBondContact O-CA 3.45Å; M492-V504 HydrophobicContact CB-CG2 4.25Å; M492-V504 HydrophobicContact CG-CB 4.28Å; M492-V504 HydrophobicContact CG-CG1 3.6Å; M492-V504 HydrophobicContact CG-CG2 3.77Å; V504-A517 HydrophobicContact CB-CB 4.3Å; V504-A517 HydrophobicContact CG1-CB 4.05Å; V504-A517 PolarHBondContact O-N 2.85Å; V504-A518 WeakPolarHBondContact CB-O 3.46Å; V504-A518 VanDerWaalsContact CG2-O 3.3Å; V504-A518 WeakPolarHBondContact CG2-O 2.9Å; V504-M520 HydrophobicContact CG2-CG 4.09Å; V504-W561 HydrophobicContact CG2-CZ2 3.96Å
505	E	98.5	Very high	96.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.8	173.6	-63.1	177.4	-119	0	0	108.9	N474 T475 R477 F490 V491 W514 S515	N474-E505 VanDerWaalsContact CB-OE2 3.24Å; N474-E505 WeakPolarHBondContact CB-OE2 3.2Å; N474-E505 PolarHBondContact N-OE2 3.22Å; N474-E505 PolarHBondContact ND2-OE2 2.95Å; T475-E505 WeakPolarHBondContact CB-OE1 3.5Å; T475-E505 PolarHBondContact N-OE1 3.16Å; T475-E505 VanDerWaalsContact N-OE1 3.15Å; T475-E505 PolarHBondContact OG1-OE1 3.07Å; R477-E505 IonicContact CZ-OE1 3.05Å; R477-E505 IonicContact NE-OE1 3.02Å; R477-E505 PolarHBondContact NE-OE1 3.3Å; R477-E505 IonicContact NH2-OE1 2.64Å; R477-E505 PolarHBondContact NH2-OE1 3.5Å; F490-E505 CarbonylContact C-O 3.49Å; F490-E505 WeakPolarHBondContact CA-O 3.4Å; V491-E505 PolarHBondContact N-O 3.46Å; V491-E505 PolarHBondContact O-N 2.86Å; E505-W514 HydrophobicContact CB-CE3 3.74Å; E505-W514 HydrophobicContact CB-CZ3 4.16Å; E505-S515 CarbonylContact C-O 3.5Å; E505-S515 WeakPolarHBondContact CA-O 3.23Å
506	R	97.9	Very high	96.8	Very high	70 Å²	70	50 Å²	50	26%	0.264	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.5	173.3	66.5	-178.6	175.2	-175.4	-10.6	110.5	I489 F490 W514 S515	I489-R506 CarbonylContact O-C 3.48Å; I489-R506 VanDerWaalsContact O-CA 3.23Å; I489-R506 WeakPolarHBondContact O-CA 3.24Å; F490-R506 HydrophobicContact CD1-CB 3.83Å; F490-R506 HydrophobicContact CD2-CB 4.49Å; F490-R506 HydrophobicContact CE1-CB 3.75Å; F490-R506 HydrophobicContact CE1-CG 4.44Å; F490-R506 HydrophobicContact CE2-CB 4.4Å; F490-R506 HydrophobicContact CG-CB 4.21Å; F490-R506 HydrophobicContact CZ-CB 4.05Å; R506-W514 WeakPolarHBondContact O-CA 3.33Å; R506-S515 VanDerWaalsContact CG-OG 3.23Å; R506-S515 WeakPolarHBondContact CG-OG 3.35Å; R506-S515 PolarHBondContact N-O 3.15Å; R506-S515 PolarHBondContact NE-OG 3.26Å; R506-S515 PolarHBondContact O-N 2.91Å
507	Y	98.1	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.7	179.1	175	-102.2	0	0	0	110.2	Y443 M470 A471 Q488 I489 V509 D512 T513 W514	Y443-Y507 HydrophobicContact CD1-CE1 4.43Å; Y443-Y507 AromaticContact CE1-CE1 3.91Å; Y443-Y507 HydrophobicContact CE1-CE1 3.91Å; M470-Y507 WeakPolarHBondContact CE-OH 3.43Å; A471-Y507 HydrophobicContact CB-CE2 4.33Å; Q488-Y507 WeakPolarHBondContact CA-O 3.26Å; I489-Y507 HydrophobicContact CB-CD1 4.49Å; I489-Y507 HydrophobicContact CD1-CD1 4.08Å; I489-Y507 PolarHBondContact N-O 3.12Å; I489-Y507 PolarHBondContact O-N 3.39Å; Y507-V509 HydrophobicContact CD1-CG1 4.01Å; Y507-V509 HydrophobicContact CE1-CB 4.28Å; Y507-V509 HydrophobicContact CE1-CG1 3.82Å; Y507-D512 VanDerWaalsContact CE2-OD1 3.32Å; Y507-D512 WeakPolarHBondContact CE2-OD1 3.43Å; Y507-D512 WeakPolarHBondContact OH-CA 3.37Å; Y507-D512 PolarHBondContact OH-OD1 2.88Å; Y507-T513 WeakPolarHBondContact CA-O 3.47Å; Y507-T513 WeakPolarHBondContact CD2-O 3.3Å; Y507-W514 AromaticContact CD2-CD1 3.81Å; Y507-W514 AromaticContact CD2-CD2 4Å; Y507-W514 HydrophobicContact CD2-CD2 4Å; Y507-W514 AromaticContact CD2-CE2 3.58Å; Y507-W514 HydrophobicContact CD2-CG 4.14Å; Y507-W514 HydrophobicContact CD2-CZ2 4.02Å; Y507-W514 AromaticContact CD2-NE1 3.45Å; Y507-W514 HydrophobicContact CG-CD2 4.32Å; Y507-W514 AromaticContact CG-CE2 3.95Å; Y507-W514 HydrophobicContact CG-CH2 4.35Å; Y507-W514 AromaticContact CG-CZ2 3.98Å; Y507-W514 HydrophobicContact CG-CZ2 3.98Å
508	D	94.6	Very high	96.9	Very high	40 Å²	40	48 Å²	48	21%	0.214	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.1	175.3	-177.5	-58.9	0	0	0	109.2	E510 T511 D512 T513	D508-E510 VanDerWaalsContact C-N 3.28Å; D508-E510 PolarHBondContact O-N 2.95Å; D508-E510 WeakPolarHBondContact OD1-CB 3.23Å; D508-E510 PolarHBondContact OD1-N 3.25Å; D508-T511 WeakPolarHBondContact CB-OG1 3.08Å; D508-T511 PolarHBondContact OD1-N 3.42Å; D508-T511 PolarHBondContact OD1-OG1 3.16Å; D508-D512 WeakPolarHBondContact O-CA 3.32Å; D508-D512 PolarHBondContact O-N 2.84Å; D508-T513 PolarHBondContact N-O 3.34Å
509	V	91.4	Very high	97.1	Very high	24 Å²	24	45.7 Å²	45.7	15%	0.145	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.2	-174	-58.7	0	0	0	0	113.5	I438 N487 Y507	I438-V509 HydrophobicContact CD1-CG1 3.83Å; I438-V509 HydrophobicContact CD1-CG2 4.26Å; I438-V509 HydrophobicContact CG1-CG1 4.42Å; I438-V509 HydrophobicContact CG2-CG1 3.79Å; N487-V509 VanDerWaalsContact OD1-CG2 3.3Å; N487-V509 WeakPolarHBondContact OD1-CG2 3.23Å; Y507-V509 HydrophobicContact CD1-CG1 4.01Å; Y507-V509 HydrophobicContact CE1-CB 4.28Å; Y507-V509 HydrophobicContact CE1-CG1 3.82Å
510	E	90.5	Very high	97.1	Very high	132 Å²	132	42.4 Å²	42.4	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-37.3	-179.5	-62.9	-173.4	174.3	0	0	111.1	P283 N487 D508	P283-E510 HydrophobicContact CG-CG 4.33Å; N487-E510 PolarHBondContact ND2-OE1 2.77Å; N487-E510 VanDerWaalsContact ND2-OE1 3.16Å; D508-E510 VanDerWaalsContact C-N 3.28Å; D508-E510 PolarHBondContact O-N 2.95Å; D508-E510 WeakPolarHBondContact OD1-CB 3.23Å; D508-E510 PolarHBondContact OD1-N 3.25Å
511	T	93.9	Very high	97.1	Very high	81 Å²	81	49 Å²	49	50%	0.497	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-13.5	-178.6	61.6	0	0	0	0	114	D508 T513	D508-T511 WeakPolarHBondContact CB-OG1 3.08Å; D508-T511 PolarHBondContact OD1-N 3.42Å; D508-T511 PolarHBondContact OD1-OG1 3.16Å; T511-T513 VanDerWaalsContact C-N 3.32Å; T511-T513 WeakPolarHBondContact O-CG2 3.29Å; T511-T513 PolarHBondContact OG1-OG1 3.28Å
512	D	95.8	Very high	97	Very high	65 Å²	65	50.7 Å²	50.7	35%	0.348	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	48.2	-172.4	-171.9	25.1	0	0	0	111.5	A471 Y507 D508	A471-D512 WeakPolarHBondContact CB-O 3.43Å; A471-D512 WeakPolarHBondContact CB-OD1 3.49Å; A471-D512 PolarHBondContact N-OD1 3.2Å; Y507-D512 VanDerWaalsContact CE2-OD1 3.32Å; Y507-D512 WeakPolarHBondContact CE2-OD1 3.43Å; Y507-D512 WeakPolarHBondContact OH-CA 3.37Å; Y507-D512 PolarHBondContact OH-OD1 2.88Å; D508-D512 WeakPolarHBondContact O-CA 3.32Å; D508-D512 PolarHBondContact O-N 2.84Å
513	T	97.6	Very high	97	Very high	74 Å²	74	54.8 Å²	54.8	45%	0.454	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.4	-179.6	65.8	0	0	0	0	113.3	Y507 D508 T511	Y507-T513 WeakPolarHBondContact CA-O 3.47Å; Y507-T513 WeakPolarHBondContact CD2-O 3.3Å; D508-T513 PolarHBondContact N-O 3.34Å; T511-T513 VanDerWaalsContact C-N 3.32Å; T511-T513 WeakPolarHBondContact O-CG2 3.29Å; T511-T513 PolarHBondContact OG1-OG1 3.28Å
514	W	98.4	Very high	97	Very high	26 Å²	26	52.6 Å²	52.6	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.5	174.1	-70	89.6	0	0	0	110.9	V445 A471 P472 M473 V491 E505 R506 Y507	V445-W514 HydrophobicContact CG1-CH2 3.89Å; V445-W514 HydrophobicContact CG1-CZ2 4.03Å; A471-W514 PolarHBondContact O-NE1 2.86Å; P472-W514 VanDerWaalsContact C-CD1 3.5Å; M473-W514 HydrophobicContact CB-CD2 4.43Å; M473-W514 HydrophobicContact CG-CD2 3.85Å; M473-W514 HydrophobicContact CG-CE3 4.04Å; M473-W514 HydrophobicContact CG-CH2 3.73Å; M473-W514 HydrophobicContact CG-CZ2 3.49Å; M473-W514 VanDerWaalsContact CG-CZ2 3.49Å; M473-W514 HydrophobicContact CG-CZ3 3.98Å; M473-W514 HydrophobicContact SD-CH2 4.2Å; M473-W514 HydrophobicContact SD-CZ2 4.43Å; M473-W514 HydrophobicContact SD-CZ3 4.46Å; V491-W514 HydrophobicContact CB-CH2 4.48Å; V491-W514 HydrophobicContact CB-CZ3 4.18Å; V491-W514 HydrophobicContact CG2-CH2 3.35Å; V491-W514 HydrophobicContact CG2-CZ3 3.44Å; V491-W514 VanDerWaalsContact CG2-CZ3 3.44Å; E505-W514 HydrophobicContact CB-CE3 3.74Å; E505-W514 HydrophobicContact CB-CZ3 4.16Å; R506-W514 WeakPolarHBondContact O-CA 3.33Å; Y507-W514 AromaticContact CD2-CD1 3.81Å; Y507-W514 AromaticContact CD2-CD2 4Å; Y507-W514 HydrophobicContact CD2-CD2 4Å; Y507-W514 AromaticContact CD2-CE2 3.58Å; Y507-W514 HydrophobicContact CD2-CG 4.14Å; Y507-W514 HydrophobicContact CD2-CZ2 4.02Å; Y507-W514 AromaticContact CD2-NE1 3.45Å; Y507-W514 HydrophobicContact CG-CD2 4.32Å; Y507-W514 AromaticContact CG-CE2 3.95Å; Y507-W514 HydrophobicContact CG-CH2 4.35Å; Y507-W514 AromaticContact CG-CZ2 3.98Å; Y507-W514 HydrophobicContact CG-CZ2 3.98Å
515	S	97.9	Very high	97	Very high	47 Å²	47	53.1 Å²	53.1	33%	0.329	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.7	171.5	61.1	0	0	0	0	110.8	E505 R506	E505-S515 CarbonylContact C-O 3.5Å; E505-S515 WeakPolarHBondContact CA-O 3.23Å; R506-S515 VanDerWaalsContact CG-OG 3.23Å; R506-S515 WeakPolarHBondContact CG-OG 3.35Å; R506-S515 PolarHBondContact N-O 3.15Å; R506-S515 PolarHBondContact NE-OG 3.26Å; R506-S515 PolarHBondContact O-N 2.91Å
516	S	97.9	Very high	97	Very high	92 Å²	92	54.3 Å²	54.3	64%	0.643	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.1	174.2	-61.5	0	0	0	0	111.1
517	A	97.9	Very high	97	Very high	11 Å²	11	51.6 Å²	51.6	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	174.7	167.3	0	0	0	0	0	109.6	F490 V504 S519	F490-A517 HydrophobicContact CE1-CB 4.41Å; V504-A517 HydrophobicContact CB-CB 4.3Å; V504-A517 HydrophobicContact CG1-CB 4.05Å; V504-A517 PolarHBondContact O-N 2.85Å; A517-S519 PolarHBondContact O-N 2.82Å
518	A	98.3	Very high	97	Very high	26 Å²	26	51.8 Å²	51.8	22%	0.215	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-55.7	136.5	177.8	0	0	0	0	0	111.9	V504 Y554 D559 W561	V504-A518 WeakPolarHBondContact CB-O 3.46Å; V504-A518 VanDerWaalsContact CG2-O 3.3Å; V504-A518 WeakPolarHBondContact CG2-O 2.9Å; A518-Y554 HydrophobicContact CB-CE2 4.35Å; A518-D559 WeakPolarHBondContact CB-O 3.34Å; A518-D559 VanDerWaalsContact CB-OD1 3.29Å; A518-D559 WeakPolarHBondContact CB-OD1 3.31Å; A518-D559 PolarHBondContact N-OD1 2.84Å; A518-W561 PolarHBondContact O-NE1 2.83Å
519	S	98.5	Very high	97.2	Very high	59 Å²	59	51 Å²	51	41%	0.413	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-77.9	145.3	-179.5	-62.9	0	0	0	0	111.1	N502 A517 W561	N502-S519 WeakPolarHBondContact O-CA 3.4Å; A517-S519 PolarHBondContact O-N 2.82Å; S519-W561 VanDerWaalsContact O-CD1 3.26Å
520	M	98.6	Very high	97.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.6	156.7	171.5	-62.4	177.2	-60.9	0	0	110.6	M492 N502 V504 R524 L527 V538 W561	M492-M520 HydrophobicContact CB-CE 4.24Å; M492-M520 HydrophobicContact CB-SD 4.01Å; N502-M520 HydrophobicContact CB-CB 4.28Å; N502-M520 WeakPolarHBondContact CB-O 3.43Å; N502-M520 PolarHBondContact ND2-O 3.28Å; N502-M520 PolarHBondContact O-N 2.86Å; V504-M520 HydrophobicContact CG2-CG 4.09Å; M520-R524 HydrophobicContact CE-CG 4.32Å; M520-L527 HydrophobicContact SD-CD1 4.45Å; M520-V538 HydrophobicContact SD-CB 4.36Å; M520-V538 HydrophobicContact SD-CG1 4.11Å; M520-V538 HydrophobicContact SD-CG2 3.89Å; M520-W561 HydrophobicContact CG-CD2 3.94Å; M520-W561 HydrophobicContact CG-CE3 4.25Å; M520-W561 HydrophobicContact CG-CH2 3.98Å; M520-W561 HydrophobicContact CG-CZ2 3.63Å; M520-W561 HydrophobicContact CG-CZ3 4.28Å; M520-W561 HydrophobicContact SD-CH2 4.31Å; M520-W561 HydrophobicContact SD-CZ2 4.41Å
521	R	97.9	Very high	97.8	Very high	170 Å²	170	46.1 Å²	46.1	64%	0.642	26%	0.259	S	S	*	.	S	Bend	trans	-67	-43.7	175.1	-172.5	-177.8	-173.3	-161.6	5.9	111.1	E552 E563	R521-E552 VanDerWaalsContact CB-OE2 3.27Å; R521-E552 WeakPolarHBondContact CB-OE2 3.48Å; R521-E552 PolarHBondContact N-OE2 3.31Å; R521-E563 IonicContact NH1-OE1 3.83Å; R521-E563 IonicContact NH1-OE2 2.75Å; R521-E563 PolarHBondContact NH1-OE2 2.86Å
522	H	98.1	Very high	97.7	Very high	54 Å²	54	42.6 Å²	42.6	25%	0.25	24%	0.237	C	C	.	.	S	Bend	trans	-103.3	146	-179.6	-62	-81.5	0	0	0	111.8	N502 R524 L548 E552 E563	N502-H522 VanDerWaalsContact CB-O 3.3Å; N502-H522 WeakPolarHBondContact CB-O 3.28Å; H522-R524 HydrophobicContact CB-CG 4.19Å; H522-R524 WeakPolarHBondContact O-CG 3.39Å; H522-L548 HydrophobicContact CB-CD1 3.94Å; H522-E552 IonicContact CD2-OE1 2.71Å; H522-E552 PolarHBondContact CD2-OE1 3.03Å; H522-E552 IonicContact CG-OE1 3.11Å; H522-E552 PolarHBondContact N-OE1 3.47Å; H522-E552 VanDerWaalsContact N-OE1 3.15Å; H522-E563 IonicContact NE2-OE2 3.83Å; H522-E563 PolarHBondContact NE2-OE2 3.16Å
523	R	98.5	Very high	97.4	Very high	128 Å²	128	45.2 Å²	45.2	48%	0.483	25%	0.246	S	C	.	.			trans	-76.1	131.6	167.3	-66.8	171	179.2	-142.2	6.5	108.3	Q500 L501 N502 D543	Q500-R523 HydrophobicContact CB-CB 4Å; Q500-R523 VanDerWaalsContact O-CD 3.3Å; Q500-R523 WeakPolarHBondContact O-CD 3.49Å; L501-R523 WeakPolarHBondContact O-CA 3.38Å; N502-R523 HydrophobicContact CB-CB 4.45Å; N502-R523 HydrophobicContact CB-CG 3.87Å; R523-D543 VanDerWaalsContact O-CA 3.27Å; R523-D543 WeakPolarHBondContact O-CA 3.46Å; R523-D543 WeakPolarHBondContact O-CB 3.47Å
524	R	98.4	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.			trans	-144.6	133	-174.2	-37	-175	132.3	-142.5	-15.4	110.5	G494 L501 M520 H522 L527 V538 G540 L548 S550 E552	G494-R524 PolarHBondContact N-O 2.77Å; L501-R524 PolarHBondContact O-N 2.72Å; M520-R524 HydrophobicContact CE-CG 4.32Å; H522-R524 HydrophobicContact CB-CG 4.19Å; H522-R524 WeakPolarHBondContact O-CG 3.39Å; R524-L527 HydrophobicContact CB-CB 4.25Å; R524-L527 HydrophobicContact CB-CD2 4.35Å; R524-V538 PolarHBondContact NH1-O 2.77Å; R524-G540 WeakPolarHBondContact CD-O 3.28Å; R524-G540 PolarHBondContact NE-O 3.33Å; R524-G540 PolarHBondContact NH1-O 2.89Å; R524-L548 HydrophobicContact CB-CD1 4.3Å; R524-L548 HydrophobicContact CG-CD1 3.63Å; R524-L548 VanDerWaalsContact NE-CD1 3.28Å; R524-S550 VanDerWaalsContact CZ-O 3.23Å; R524-S550 PolarHBondContact NH1-O 2.93Å; R524-S550 VanDerWaalsContact NH2-C 3.3Å; R524-S550 PolarHBondContact NH2-O 3.34Å; R524-S550 PolarHBondContact NH2-OG 3.38Å; R524-E552 IonicContact NE-OE1 3.15Å
525	S	98.4	Very high	97	Very high	13 Å²	13	46.5 Å²	46.5	9%	0.091	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-124.3	153.7	166.3	64.7	0	0	0	0	109.7	L527 G541 Y542	S525-L527 PolarHBondContact O-N 2.82Å; S525-G541 CarbonylContact O-C 3.57Å; S525-G541 VanDerWaalsContact O-CA 3.29Å; S525-G541 WeakPolarHBondContact O-CA 3.46Å; S525-Y542 PolarHBondContact N-O 2.9Å; S525-Y542 PolarHBondContact O-N 3.26Å; S525-Y542 PolarHBondContact OG-O 2.84Å
526	A	98.3	Very high	97	Very high	26 Å²	26	44.3 Å²	44.3	22%	0.215	24%	0.241	C	C	.	.	S	Bend	trans	51.1	40.9	-171.4	0	0	0	0	0	112.3	G479 G573	G479-A526 PolarHBondContact O-N 3.13Å; A526-G573 PolarHBondContact O-N 3.03Å
527	L	98.6	Very high	97	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.073	21%	0.214	C	C	.	.			trans	-75.6	153.5	172.9	61.7	157.4	0	0	0	111.4	G481 M492 M520 R524 S525 V538	G481-L527 VanDerWaalsContact N-CD2 3.29Å; M492-L527 HydrophobicContact CB-CD1 4.4Å; M520-L527 HydrophobicContact SD-CD1 4.45Å; R524-L527 HydrophobicContact CB-CB 4.25Å; R524-L527 HydrophobicContact CB-CD2 4.35Å; S525-L527 PolarHBondContact O-N 2.82Å; L527-V538 HydrophobicContact CD1-CB 3.7Å; L527-V538 HydrophobicContact CD1-CG1 3.58Å
528	G	98.5	Very high	97.1	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	149.8	160.5	0	0	0	0	0	110.8	V538 L539	G528-V538 CarbonylContact O-C 3.32Å; G528-V538 WeakPolarHBondContact O-CA 3.34Å; G528-L539 PolarHBondContact N-O 2.81Å; G528-L539 PolarHBondContact O-N 2.81Å
529	V	98.3	Very high	97.1	Very high	25 Å²	25	39 Å²	39	15%	0.152	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.3	178.4	65.2	0	0	0	0	111.5	V482 C483 M492 I536 Y537 V538	V482-V529 WeakPolarHBondContact O-CG1 3.44Å; C483-V529 HydrophobicContact CB-CG2 4.11Å; M492-V529 HydrophobicContact CE-CG2 3.58Å; M492-V529 HydrophobicContact SD-CG2 4.28Å; V529-I536 HydrophobicContact CG2-CG2 3.79Å; V529-Y537 VanDerWaalsContact CA-O 3.31Å; V529-Y537 WeakPolarHBondContact CA-O 3.47Å; V529-V538 HydrophobicContact CG2-CG1 4.23Å
530	T	97.7	Very high	97.1	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.117	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	164.7	168.2	-160.3	0	0	0	0	111.6	I298 I536 Y537 V576 V578	I298-T530 HydrophobicContact CB-CG2 4.48Å; I298-T530 HydrophobicContact CD1-CG2 4.1Å; I298-T530 HydrophobicContact CG1-CG2 3.97Å; I298-T530 HydrophobicContact CG2-CG2 3.8Å; T530-I536 WeakPolarHBondContact O-CA 3.4Å; T530-Y537 PolarHBondContact N-O 3.04Å; T530-Y537 PolarHBondContact O-N 2.92Å; T530-V576 HydrophobicContact CG2-CG1 3.8Å; T530-V578 HydrophobicContact CG2-CG2 3.72Å; T530-V578 WeakPolarHBondContact OG1-CG2 3.07Å
531	A	95.4	Very high	97.1	Very high	34 Å²	34	36.1 Å²	36.1	28%	0.281	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.9	173.5	0	0	0	0	0	110	L485 R535	L485-A531 HydrophobicContact CD1-CB 4.16Å; A531-R535 CarbonylContact C-O 3.57Å; A531-R535 VanDerWaalsContact CA-O 3.29Å; A531-R535 WeakPolarHBondContact CA-O 3.42Å
532	L	93.3	Very high	97.1	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	130.4	178.8	178.4	52.2	0	0	0	110	Q296 I298 P317 G534 R535 Y537 V578	Q296-L532 HydrophobicContact CB-CD1 4Å; Q296-L532 VanDerWaalsContact OE1-CD1 3.29Å; I298-L532 HydrophobicContact CD1-CD2 4.1Å; I298-L532 HydrophobicContact CG1-CD2 3.72Å; P317-L532 HydrophobicContact CG-CD2 3.72Å; L532-G534 VanDerWaalsContact C-N 3.3Å; L532-G534 PolarHBondContact O-N 2.78Å; L532-R535 PolarHBondContact N-O 3.2Å; L532-R535 PolarHBondContact O-N 3.26Å; L532-Y537 HydrophobicContact CB-CD2 4.28Å; L532-Y537 HydrophobicContact CB-CE2 3.98Å; L532-V578 HydrophobicContact CB-CG2 4.14Å; L532-V578 HydrophobicContact CD1-CG1 3.84Å; L532-V578 HydrophobicContact CD2-CG1 4.31Å; L532-V578 HydrophobicContact CD2-CG2 4.36Å
533	H	88.9	Confident	97.1	Very high	119 Å²	119	30.8 Å²	30.8	55%	0.551	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	45.3	177.8	-56.4	143	0	0	0	113.8	R535	H533-R535 VanDerWaalsContact C-N 3.25Å; H533-R535 PolarHBondContact O-N 3.05Å
534	G	91.3	Very high	97	Very high	44 Å²	44	25.7 Å²	25.7	45%	0.454	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	3.1	177.9	0	0	0	0	0	115.1	L532 P556	L532-G534 VanDerWaalsContact C-N 3.3Å; L532-G534 PolarHBondContact O-N 2.78Å; G534-P556 VanDerWaalsContact O-CD 3.23Å; G534-P556 WeakPolarHBondContact O-CD 3.32Å; G534-P556 WeakPolarHBondContact O-CG 3.43Å
535	R	95.9	Very high	96.9	Very high	84 Å²	84	32.5 Å²	32.5	32%	0.317	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.7	178.4	-66.7	175.8	176.7	-90.4	-13.4	111.1	A531 L532 H533 Y537 Y554 D555	A531-R535 CarbonylContact C-O 3.57Å; A531-R535 VanDerWaalsContact CA-O 3.29Å; A531-R535 WeakPolarHBondContact CA-O 3.42Å; L532-R535 PolarHBondContact N-O 3.2Å; L532-R535 PolarHBondContact O-N 3.26Å; H533-R535 VanDerWaalsContact C-N 3.25Å; H533-R535 PolarHBondContact O-N 3.05Å; R535-Y537 HydrophobicContact CB-CE2 3.86Å; R535-Y554 WeakPolarHBondContact CA-O 3.44Å; R535-Y554 WeakPolarHBondContact CB-O 3.45Å; R535-D555 IonicContact CZ-OD2 2.61Å; R535-D555 IonicContact NH1-OD2 2.68Å; R535-D555 PolarHBondContact NH1-OD2 3.4Å; R535-D555 IonicContact NH2-OD2 2.77Å; R535-D555 PolarHBondContact NH2-OD2 2.81Å
536	I	98.4	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.3	171.4	-61.7	164.6	0	0	0	108.6	L485 F490 M492 V529 T530 S553 Y554 W561	L485-I536 HydrophobicContact CB-CD1 4.2Å; L485-I536 HydrophobicContact CB-CG1 4.35Å; L485-I536 HydrophobicContact CD2-CD1 4.09Å; L485-I536 HydrophobicContact CD2-CG1 4.03Å; F490-I536 HydrophobicContact CB-CD1 3.86Å; F490-I536 HydrophobicContact CD1-CD1 4.06Å; F490-I536 HydrophobicContact CD2-CD1 3.74Å; F490-I536 HydrophobicContact CE2-CD1 4.31Å; F490-I536 HydrophobicContact CG-CD1 3.61Å; M492-I536 HydrophobicContact CE-CG2 4.01Å; M492-I536 HydrophobicContact SD-CG2 3.6Å; M492-I536 VanDerWaalsContact SD-CG2 3.6Å; V529-I536 HydrophobicContact CG2-CG2 3.79Å; T530-I536 WeakPolarHBondContact O-CA 3.4Å; I536-S553 CarbonylContact O-C 3.47Å; I536-S553 WeakPolarHBondContact O-CA 3.29Å; I536-S553 PolarHBondContact O-OG 2.76Å; I536-Y554 HydrophobicContact CD1-CD1 4.1Å; I536-Y554 PolarHBondContact N-O 3.22Å; I536-Y554 PolarHBondContact O-N 2.91Å; I536-W561 HydrophobicContact CG2-CH2 4.46Å
537	Y	98.6	Very high	96.8	Very high	17 Å²	17	36.9 Å²	36.9	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.3	175.5	-65.8	-98.5	0	0	0	109.4	I298 V529 T530 L532 R535 V551 E552 V564	I298-Y537 HydrophobicContact CD1-CD1 3.81Å; I298-Y537 HydrophobicContact CD1-CD2 3.62Å; I298-Y537 HydrophobicContact CD1-CE1 4.23Å; I298-Y537 HydrophobicContact CD1-CE2 4.07Å; I298-Y537 HydrophobicContact CD1-CG 3.47Å; I298-Y537 VanDerWaalsContact CD1-CG 3.47Å; V529-Y537 VanDerWaalsContact CA-O 3.31Å; V529-Y537 WeakPolarHBondContact CA-O 3.47Å; T530-Y537 PolarHBondContact N-O 3.04Å; T530-Y537 PolarHBondContact O-N 2.92Å; L532-Y537 HydrophobicContact CB-CD2 4.28Å; L532-Y537 HydrophobicContact CB-CE2 3.98Å; R535-Y537 HydrophobicContact CB-CE2 3.86Å; Y537-V551 HydrophobicContact CD1-CG1 4.38Å; Y537-E552 CarbonylContact C-O 3.56Å; Y537-E552 WeakPolarHBondContact CA-O 3.46Å; Y537-V564 HydrophobicContact CD1-CG2 4.18Å; Y537-V564 HydrophobicContact CE1-CG2 4.2Å
538	V	98.7	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.9	173.9	-62.8	0	0	0	0	110.3	M492 M520 R524 L527 G528 V529 V551 E552 W561	M492-V538 HydrophobicContact CB-CG1 4.47Å; M492-V538 HydrophobicContact SD-CG1 3.81Å; M520-V538 HydrophobicContact SD-CB 4.36Å; M520-V538 HydrophobicContact SD-CG1 4.11Å; M520-V538 HydrophobicContact SD-CG2 3.89Å; R524-V538 PolarHBondContact NH1-O 2.77Å; L527-V538 HydrophobicContact CD1-CB 3.7Å; L527-V538 HydrophobicContact CD1-CG1 3.58Å; G528-V538 CarbonylContact O-C 3.32Å; G528-V538 WeakPolarHBondContact O-CA 3.34Å; V529-V538 HydrophobicContact CG2-CG1 4.23Å; V538-V551 VanDerWaalsContact O-CA 3.29Å; V538-V551 WeakPolarHBondContact O-CA 3.24Å; V538-E552 HydrophobicContact CG2-CB 3.66Å; V538-E552 HydrophobicContact CG2-CG 4.34Å; V538-E552 PolarHBondContact N-O 3.12Å; V538-E552 PolarHBondContact O-N 2.83Å; V538-E552 VanDerWaalsContact O-N 3.1Å; V538-W561 HydrophobicContact CB-CZ3 4.37Å; V538-W561 HydrophobicContact CG1-CH2 3.69Å; V538-W561 HydrophobicContact CG1-CZ3 3.91Å; V538-W561 HydrophobicContact CG2-CE3 4.38Å; V538-W561 HydrophobicContact CG2-CH2 4.18Å; V538-W561 HydrophobicContact CG2-CZ3 3.63Å
539	L	98.6	Very high	96.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.5	-168.2	-69.8	89.8	0	0	0	110.4	I298 W322 G528 V551 I567 V576	I298-L539 HydrophobicContact CG2-CD1 4.21Å; I298-L539 HydrophobicContact CG2-CD2 3.98Å; W322-L539 HydrophobicContact CH2-CD2 4.14Å; G528-L539 PolarHBondContact N-O 2.81Å; G528-L539 PolarHBondContact O-N 2.81Å; L539-V551 HydrophobicContact CD2-CG2 4.49Å; L539-V551 HydrophobicContact CG-CG1 4.12Å; L539-V551 HydrophobicContact CG-CG2 4.15Å; L539-I567 HydrophobicContact CB-CD1 3.98Å; L539-V576 HydrophobicContact CD1-CG1 4.06Å; L539-V576 HydrophobicContact CD1-CG2 4.37Å
540	G	98.4	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.			trans	50.1	-140.1	177.6	0	0	0	0	0	115.3	R524 L548 S550	R524-G540 WeakPolarHBondContact CD-O 3.28Å; R524-G540 PolarHBondContact NE-O 3.33Å; R524-G540 PolarHBondContact NH1-O 2.89Å; G540-L548 WeakPolarHBondContact CA-O 3.47Å; G540-S550 PolarHBondContact N-O 3.16Å
541	G	98.4	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.			trans	107.8	-177.4	-175.2	0	0	0	0	0	112.8	S525 L548 R571	S525-G541 CarbonylContact O-C 3.57Å; S525-G541 VanDerWaalsContact O-CA 3.29Å; S525-G541 WeakPolarHBondContact O-CA 3.46Å; G541-L548 PolarHBondContact O-N 3Å; G541-R571 PolarHBondContact N-O 2.98Å
542	Y	98.6	Very high	97	Very high	73 Å²	73	36.3 Å²	36.3	29%	0.286	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-117.1	128.1	178.6	-177.2	-110.5	0	0	0	110.1	Q500 S525 G544 T546 F547	Q500-Y542 WeakPolarHBondContact CG-O 3.43Å; S525-Y542 PolarHBondContact N-O 2.9Å; S525-Y542 PolarHBondContact O-N 3.26Å; S525-Y542 PolarHBondContact OG-O 2.84Å; Y542-G544 PolarHBondContact OH-O 2.95Å; Y542-T546 VanDerWaalsContact CD2-O 3.26Å; Y542-T546 WeakPolarHBondContact CD2-O 3.32Å; Y542-F547 AromaticContact CD2-CD1 3.99Å; Y542-F547 HydrophobicContact CD2-CD1 3.99Å; Y542-F547 AromaticContact CD2-CE1 3.85Å; Y542-F547 HydrophobicContact CD2-CE1 3.85Å; Y542-F547 HydrophobicContact CD2-CG 4.41Å; Y542-F547 HydrophobicContact CD2-CZ 4.17Å; Y542-F547 HydrophobicContact CE2-CE1 4.5Å; Y542-F547 HydrophobicContact CE2-CZ 4.37Å; Y542-F547 HydrophobicContact CG-CE1 4.48Å
543	D	97.9	Very high	97.2	Very high	39 Å²	39	36 Å²	36	21%	0.209	19%	0.192	C	C	.	.			trans	-96.6	-1.9	-175.3	72.8	-4.4	0	0	0	114.5	Q500 R523 N545 T546 L548	Q500-D543 PolarHBondContact OE1-O 2.8Å; R523-D543 VanDerWaalsContact O-CA 3.27Å; R523-D543 WeakPolarHBondContact O-CA 3.46Å; R523-D543 WeakPolarHBondContact O-CB 3.47Å; D543-N545 WeakPolarHBondContact OD1-CA 3.27Å; D543-N545 PolarHBondContact OD1-N 2.84Å; D543-T546 PolarHBondContact N-O 3.24Å; D543-T546 PolarHBondContact OD1-N 3.42Å; D543-T546 PolarHBondContact OD1-OG1 3.19Å; D543-T546 PolarHBondContact OD2-OG1 3.43Å; D543-T546 VanDerWaalsContact OD2-OG1 3.12Å; D543-L548 HydrophobicContact CB-CD1 4.14Å; D543-L548 HydrophobicContact CB-CD2 4.16Å; D543-L548 HydrophobicContact CB-CG 4.24Å
544	G	96.3	Very high	97.7	Very high	22 Å²	22	30.3 Å²	30.3	23%	0.227	17%	0.166	C	C	.	.	S	Bend	trans	110.4	-21.6	-173.4	0	0	0	0	0	113.6	Y542	Y542-G544 PolarHBondContact OH-O 2.95Å
545	N	96.1	Very high	98	Very high	142 Å²	142	29.4 Å²	29.4	76%	0.759	15%	0.151	S	C	*	.	S	Bend	trans	-127.9	-42.1	-177.9	-62.6	-44.5	0	0	0	112.8	D543	D543-N545 WeakPolarHBondContact OD1-CA 3.27Å; D543-N545 PolarHBondContact OD1-N 2.84Å
546	T	97.4	Very high	97.9	Very high	73 Å²	73	27.4 Å²	27.4	45%	0.448	15%	0.148	S	C	.	.	S	Bend	trans	-131	153.8	-170.6	67.2	0	0	0	0	112	Y542 D543	Y542-T546 VanDerWaalsContact CD2-O 3.26Å; Y542-T546 WeakPolarHBondContact CD2-O 3.32Å; D543-T546 PolarHBondContact N-O 3.24Å; D543-T546 PolarHBondContact OD1-N 3.42Å; D543-T546 PolarHBondContact OD1-OG1 3.19Å; D543-T546 PolarHBondContact OD2-OG1 3.43Å; D543-T546 VanDerWaalsContact OD2-OG1 3.12Å
547	F	98.3	Very high	97.8	Very high	58 Å²	58	35.7 Å²	35.7	25%	0.254	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-86.3	114.3	167.9	-63.4	-79.3	0	0	0	108.1	Y304 F305 Y542 G570	Y304-F547 AromaticContact CD1-CE1 3.61Å; Y304-F547 HydrophobicContact CD1-CE1 3.61Å; Y304-F547 AromaticContact CD1-CZ 3.67Å; Y304-F547 HydrophobicContact CD1-CZ 3.67Å; Y304-F547 HydrophobicContact CE1-CE1 4.06Å; Y304-F547 HydrophobicContact CE1-CE2 4.44Å; Y304-F547 AromaticContact CE1-CZ 3.62Å; Y304-F547 HydrophobicContact CE1-CZ 3.62Å; F305-F547 HydrophobicContact CD2-CB 3.9Å; F305-F547 AromaticContact CD2-CD2 3.6Å; F305-F547 HydrophobicContact CD2-CD2 3.6Å; F305-F547 HydrophobicContact CD2-CE2 4.45Å; F305-F547 AromaticContact CD2-CG 3.93Å; F305-F547 HydrophobicContact CD2-CG 3.93Å; F305-F547 HydrophobicContact CE2-CB 4.42Å; F305-F547 AromaticContact CE2-CD2 4Å; F305-F547 HydrophobicContact CE2-CD2 4Å; Y542-F547 AromaticContact CD2-CD1 3.99Å; Y542-F547 HydrophobicContact CD2-CD1 3.99Å; Y542-F547 AromaticContact CD2-CE1 3.85Å; Y542-F547 HydrophobicContact CD2-CE1 3.85Å; Y542-F547 HydrophobicContact CD2-CG 4.41Å; Y542-F547 HydrophobicContact CD2-CZ 4.17Å; Y542-F547 HydrophobicContact CE2-CE1 4.5Å; Y542-F547 HydrophobicContact CE2-CZ 4.37Å; Y542-F547 HydrophobicContact CG-CE1 4.48Å; F547-G570 WeakPolarHBondContact O-CA 3.45Å
548	L	98.4	Very high	97.7	Very high	13 Å²	13	39 Å²	39	7%	0.068	21%	0.209	C	C	.	.			trans	-75	143.9	-173.7	-58.5	177.2	0	0	0	111.2	H522 R524 G540 G541 D543 G570 R571	H522-L548 HydrophobicContact CB-CD1 3.94Å; R524-L548 HydrophobicContact CB-CD1 4.3Å; R524-L548 HydrophobicContact CG-CD1 3.63Å; R524-L548 VanDerWaalsContact NE-CD1 3.28Å; G540-L548 WeakPolarHBondContact CA-O 3.47Å; G541-L548 PolarHBondContact O-N 3Å; D543-L548 HydrophobicContact CB-CD1 4.14Å; D543-L548 HydrophobicContact CB-CD2 4.16Å; D543-L548 HydrophobicContact CB-CG 4.24Å; L548-G570 CarbonylContact O-C 3.54Å; L548-G570 VanDerWaalsContact O-CA 3.23Å; L548-G570 WeakPolarHBondContact O-CA 3.37Å; L548-R571 PolarHBondContact O-N 3.45Å
549	D	98.1	Very high	97.6	Very high	65 Å²	65	42.2 Å²	42.2	35%	0.348	23%	0.226	S	C	.	.			trans	-103.1	-18.6	167.4	57.4	16.4	0	0	0	112.7	H566 I567	D549-H566 HydrophobicContact CB-CB 4.31Å; D549-H566 CarbonylContact O-C 3.59Å; D549-H566 WeakPolarHBondContact O-CA 3.16Å; D549-H566 IonicContact OD1-CE1 2.73Å; D549-H566 IonicContact OD1-CG 3.41Å; D549-H566 IonicContact OD1-ND1 3.83Å; D549-H566 PolarHBondContact OD1-ND1 3.48Å; D549-I567 WeakPolarHBondContact CB-O 3.26Å; D549-I567 WeakPolarHBondContact O-CG1 3.39Å; D549-I567 PolarHBondContact O-N 3.15Å
550	S	98.4	Very high	97.6	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	149.4	-172.9	55.5	0	0	0	0	112.5	R524 G540	R524-S550 VanDerWaalsContact CZ-O 3.23Å; R524-S550 PolarHBondContact NH1-O 2.93Å; R524-S550 VanDerWaalsContact NH2-C 3.3Å; R524-S550 PolarHBondContact NH2-O 3.34Å; R524-S550 PolarHBondContact NH2-OG 3.38Å; G540-S550 PolarHBondContact N-O 3.16Å
551	V	98.6	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.8	173	-178.6	0	0	0	0	107.5	W322 Y537 V538 L539 V564 T565 I567	W322-V551 HydrophobicContact CZ2-CG2 4.12Å; Y537-V551 HydrophobicContact CD1-CG1 4.38Å; V538-V551 VanDerWaalsContact O-CA 3.29Å; V538-V551 WeakPolarHBondContact O-CA 3.24Å; L539-V551 HydrophobicContact CD2-CG2 4.49Å; L539-V551 HydrophobicContact CG-CG1 4.12Å; L539-V551 HydrophobicContact CG-CG2 4.15Å; V551-V564 HydrophobicContact CB-CG2 4.04Å; V551-V564 HydrophobicContact CG1-CG2 3.65Å; V551-V564 WeakPolarHBondContact O-CG2 3.46Å; V551-V564 PolarHBondContact O-N 3.27Å; V551-T565 HydrophobicContact CB-CG2 3.75Å; V551-T565 WeakPolarHBondContact CB-O 3.47Å; V551-T565 HydrophobicContact CG1-CG2 4.27Å; V551-T565 HydrophobicContact CG2-CG2 3.8Å; V551-T565 PolarHBondContact N-O 2.98Å; V551-I567 HydrophobicContact CG2-CD1 4.46Å; V551-I567 HydrophobicContact CG2-CG1 3.77Å
552	E	98.6	Very high	97.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.7	177.1	-52.4	178.1	-130.4	0	0	109.6	R521 H522 R524 Y537 V538 W561 S562	R521-E552 VanDerWaalsContact CB-OE2 3.27Å; R521-E552 WeakPolarHBondContact CB-OE2 3.48Å; R521-E552 PolarHBondContact N-OE2 3.31Å; H522-E552 IonicContact CD2-OE1 2.71Å; H522-E552 PolarHBondContact CD2-OE1 3.03Å; H522-E552 IonicContact CG-OE1 3.11Å; H522-E552 PolarHBondContact N-OE1 3.47Å; H522-E552 VanDerWaalsContact N-OE1 3.15Å; R524-E552 IonicContact NE-OE1 3.15Å; Y537-E552 CarbonylContact C-O 3.56Å; Y537-E552 WeakPolarHBondContact CA-O 3.46Å; V538-E552 HydrophobicContact CG2-CB 3.66Å; V538-E552 HydrophobicContact CG2-CG 4.34Å; V538-E552 PolarHBondContact N-O 3.12Å; V538-E552 PolarHBondContact O-N 2.83Å; V538-E552 VanDerWaalsContact O-N 3.1Å; E552-W561 HydrophobicContact CB-CE3 3.66Å; E552-W561 HydrophobicContact CB-CZ3 4.11Å; E552-S562 CarbonylContact C-O 3.55Å; E552-S562 VanDerWaalsContact CA-O 3.29Å; E552-S562 WeakPolarHBondContact CA-O 3.11Å
553	S	98.3	Very high	97.5	Very high	1 Å²	1	49 Å²	49	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.4	174.5	-174.5	0	0	0	0	110.5	I536 W561 S562	I536-S553 CarbonylContact O-C 3.47Å; I536-S553 WeakPolarHBondContact O-CA 3.29Å; I536-S553 PolarHBondContact O-OG 2.76Å; S553-W561 CarbonylContact O-C 3.6Å; S553-W561 WeakPolarHBondContact O-CA 3.48Å; S553-S562 PolarHBondContact N-O 2.96Å; S553-S562 PolarHBondContact O-N 3.3Å; S553-S562 PolarHBondContact O-OG 3.12Å
554	Y	98.6	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.3	174.9	176.3	-103.9	0	0	0	111	F490 A518 R535 I536 P556 D559 S560 W561	F490-Y554 HydrophobicContact CD1-CE1 4.36Å; F490-Y554 AromaticContact CE1-CE1 3.67Å; F490-Y554 HydrophobicContact CE1-CE1 3.67Å; F490-Y554 HydrophobicContact CZ-CE1 4.12Å; A518-Y554 HydrophobicContact CB-CE2 4.35Å; R535-Y554 WeakPolarHBondContact CA-O 3.44Å; R535-Y554 WeakPolarHBondContact CB-O 3.45Å; I536-Y554 HydrophobicContact CD1-CD1 4.1Å; I536-Y554 PolarHBondContact N-O 3.22Å; I536-Y554 PolarHBondContact O-N 2.91Å; Y554-P556 HydrophobicContact CE1-CB 3.99Å; Y554-D559 WeakPolarHBondContact CE2-OD1 3.4Å; Y554-D559 PolarHBondContact OH-OD1 3.29Å; Y554-S560 WeakPolarHBondContact CA-O 3.48Å; Y554-S560 WeakPolarHBondContact CD2-O 3.46Å; Y554-W561 AromaticContact CD2-CD1 3.85Å; Y554-W561 HydrophobicContact CD2-CD2 4.05Å; Y554-W561 AromaticContact CD2-CE2 3.6Å; Y554-W561 HydrophobicContact CD2-CG 4.21Å; Y554-W561 HydrophobicContact CD2-CZ2 4.04Å; Y554-W561 AromaticContact CD2-NE1 3.45Å; Y554-W561 HydrophobicContact CG-CD2 4.36Å; Y554-W561 AromaticContact CG-CE2 3.95Å; Y554-W561 HydrophobicContact CG-CH2 4.39Å; Y554-W561 AromaticContact CG-CZ2 3.98Å; Y554-W561 HydrophobicContact CG-CZ2 3.98Å
555	D	97	Very high	97.5	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.134	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.8	174	-169.5	-20.6	0	0	0	109.8	R535 E557 T558 D559 S560	R535-D555 IonicContact CZ-OD2 2.61Å; R535-D555 IonicContact NH1-OD2 2.68Å; R535-D555 PolarHBondContact NH1-OD2 3.4Å; R535-D555 IonicContact NH2-OD2 2.77Å; R535-D555 PolarHBondContact NH2-OD2 2.81Å; D555-E557 PolarHBondContact O-N 3.43Å; D555-E557 WeakPolarHBondContact OD1-CB 3.35Å; D555-E557 PolarHBondContact OD1-N 2.89Å; D555-T558 WeakPolarHBondContact CB-OG1 3.17Å; D555-T558 PolarHBondContact O-N 2.82Å; D555-D559 WeakPolarHBondContact O-CA 3.15Å; D555-D559 PolarHBondContact O-N 3.36Å; D555-S560 PolarHBondContact N-O 3.5Å; D555-S560 PolarHBondContact O-N 3.13Å
556	P	94.8	Very high	97.6	Very high	42 Å²	42	47.2 Å²	47.2	27%	0.273	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.3	-179.5	31.2	-38.9	0	0	0	113.3	L485 G534 Y554	L485-P556 HydrophobicContact CD2-CB 4.06Å; L485-P556 HydrophobicContact CD2-CG 3.83Å; G534-P556 VanDerWaalsContact O-CD 3.23Å; G534-P556 WeakPolarHBondContact O-CD 3.32Å; G534-P556 WeakPolarHBondContact O-CG 3.43Å; Y554-P556 HydrophobicContact CE1-CB 3.99Å
557	E	95.1	Very high	97.5	Very high	174 Å²	174	43.8 Å²	43.8	81%	0.813	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-32.5	-178	-63.1	-61.5	139.7	0	0	111.7	D555	D555-E557 PolarHBondContact O-N 3.43Å; D555-E557 WeakPolarHBondContact OD1-CB 3.35Å; D555-E557 PolarHBondContact OD1-N 2.89Å
558	T	96.8	Very high	97.1	Very high	85 Å²	85	45.3 Å²	45.3	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-3.9	179.7	61.6	0	0	0	0	113.5	D555 S560	D555-T558 WeakPolarHBondContact CB-OG1 3.17Å; D555-T558 PolarHBondContact O-N 2.82Å; T558-S560 VanDerWaalsContact C-N 3.3Å; T558-S560 PolarHBondContact O-N 3.45Å; T558-S560 PolarHBondContact OG1-OG 3.09Å
559	D	97.6	Very high	96.8	Very high	69 Å²	69	46.4 Å²	46.4	37%	0.369	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	55.3	-171.9	-172.2	26	0	0	0	110.8	A518 Y554 D555	A518-D559 WeakPolarHBondContact CB-O 3.34Å; A518-D559 VanDerWaalsContact CB-OD1 3.29Å; A518-D559 WeakPolarHBondContact CB-OD1 3.31Å; A518-D559 PolarHBondContact N-OD1 2.84Å; Y554-D559 WeakPolarHBondContact CE2-OD1 3.4Å; Y554-D559 PolarHBondContact OH-OD1 3.29Å; D555-D559 WeakPolarHBondContact O-CA 3.15Å; D555-D559 PolarHBondContact O-N 3.36Å
560	S	98.1	Very high	96.7	Very high	49 Å²	49	43.8 Å²	43.8	34%	0.343	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.7	-174.6	77.5	0	0	0	0	113.5	Y554 D555 T558	Y554-S560 WeakPolarHBondContact CA-O 3.48Å; Y554-S560 WeakPolarHBondContact CD2-O 3.46Å; D555-S560 PolarHBondContact N-O 3.5Å; D555-S560 PolarHBondContact O-N 3.13Å; T558-S560 VanDerWaalsContact C-N 3.3Å; T558-S560 PolarHBondContact O-N 3.45Å; T558-S560 PolarHBondContact OG1-OG 3.09Å
561	W	98.6	Very high	96.7	Very high	38 Å²	38	43.6 Å²	43.6	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.9	177.4	-70.5	90.1	0	0	0	111.1	M492 V504 A518 S519 M520 I536 V538 E552 S553 Y554	M492-W561 HydrophobicContact CG-CH2 4.18Å; M492-W561 HydrophobicContact CG-CZ2 4Å; M492-W561 HydrophobicContact SD-CH2 3.61Å; M492-W561 HydrophobicContact SD-CZ2 3.93Å; V504-W561 HydrophobicContact CG2-CZ2 3.96Å; A518-W561 PolarHBondContact O-NE1 2.83Å; S519-W561 VanDerWaalsContact O-CD1 3.26Å; M520-W561 HydrophobicContact CG-CD2 3.94Å; M520-W561 HydrophobicContact CG-CE3 4.25Å; M520-W561 HydrophobicContact CG-CH2 3.98Å; M520-W561 HydrophobicContact CG-CZ2 3.63Å; M520-W561 HydrophobicContact CG-CZ3 4.28Å; M520-W561 HydrophobicContact SD-CH2 4.31Å; M520-W561 HydrophobicContact SD-CZ2 4.41Å; I536-W561 HydrophobicContact CG2-CH2 4.46Å; V538-W561 HydrophobicContact CB-CZ3 4.37Å; V538-W561 HydrophobicContact CG1-CH2 3.69Å; V538-W561 HydrophobicContact CG1-CZ3 3.91Å; V538-W561 HydrophobicContact CG2-CE3 4.38Å; V538-W561 HydrophobicContact CG2-CH2 4.18Å; V538-W561 HydrophobicContact CG2-CZ3 3.63Å; E552-W561 HydrophobicContact CB-CE3 3.66Å; E552-W561 HydrophobicContact CB-CZ3 4.11Å; S553-W561 CarbonylContact O-C 3.6Å; S553-W561 WeakPolarHBondContact O-CA 3.48Å; Y554-W561 AromaticContact CD2-CD1 3.85Å; Y554-W561 HydrophobicContact CD2-CD2 4.05Å; Y554-W561 AromaticContact CD2-CE2 3.6Å; Y554-W561 HydrophobicContact CD2-CG 4.21Å; Y554-W561 HydrophobicContact CD2-CZ2 4.04Å; Y554-W561 AromaticContact CD2-NE1 3.45Å; Y554-W561 HydrophobicContact CG-CD2 4.36Å; Y554-W561 AromaticContact CG-CE2 3.95Å; Y554-W561 HydrophobicContact CG-CH2 4.39Å; Y554-W561 AromaticContact CG-CZ2 3.98Å; Y554-W561 HydrophobicContact CG-CZ2 3.98Å
562	S	97.8	Very high	96.7	Very high	55 Å²	55	44.2 Å²	44.2	39%	0.385	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.6	173	56.2	0	0	0	0	110.5	E552 S553	E552-S562 CarbonylContact C-O 3.55Å; E552-S562 VanDerWaalsContact CA-O 3.29Å; E552-S562 WeakPolarHBondContact CA-O 3.11Å; S553-S562 PolarHBondContact N-O 2.96Å; S553-S562 PolarHBondContact O-N 3.3Å; S553-S562 PolarHBondContact O-OG 3.12Å
563	E	97.6	Very high	96.7	Very high	73 Å²	73	44.7 Å²	44.7	34%	0.341	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.3	172.8	-169.6	170.6	101.1	0	0	108.9	R521 H522 H566	R521-E563 IonicContact NH1-OE1 3.83Å; R521-E563 IonicContact NH1-OE2 2.75Å; R521-E563 PolarHBondContact NH1-OE2 2.86Å; H522-E563 IonicContact NE2-OE2 3.83Å; H522-E563 PolarHBondContact NE2-OE2 3.16Å; E563-H566 IonicContact OE1-CE1 3.31Å; E563-H566 IonicContact OE1-NE2 3.04Å; E563-H566 PolarHBondContact OE1-NE2 3.1Å
564	V	96.9	Very high	96.7	Very high	54 Å²	54	45.1 Å²	45.1	33%	0.327	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-32.7	-170.9	-68	0	0	0	0	113.6	Y537 V551	Y537-V564 HydrophobicContact CD1-CG2 4.18Å; Y537-V564 HydrophobicContact CE1-CG2 4.2Å; V551-V564 HydrophobicContact CB-CG2 4.04Å; V551-V564 HydrophobicContact CG1-CG2 3.65Å; V551-V564 WeakPolarHBondContact O-CG2 3.46Å; V551-V564 PolarHBondContact O-N 3.27Å
565	T	97.6	Very high	96.7	Very high	26 Å²	26	45.2 Å²	45.2	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	-179.4	179.8	-167.5	0	0	0	0	110.1	Y315 W322 V551	Y315-T565 HydrophobicContact CD1-CG2 4.43Å; Y315-T565 HydrophobicContact CD2-CG2 3.94Å; Y315-T565 HydrophobicContact CE1-CG2 4.13Å; Y315-T565 HydrophobicContact CE2-CG2 3.58Å; Y315-T565 HydrophobicContact CG-CG2 4.35Å; W322-T565 HydrophobicContact CZ2-CG2 3.83Å; W322-T565 PolarHBondContact NE1-OG1 2.95Å; V551-T565 HydrophobicContact CB-CG2 3.75Å; V551-T565 WeakPolarHBondContact CB-O 3.47Å; V551-T565 HydrophobicContact CG1-CG2 4.27Å; V551-T565 HydrophobicContact CG2-CG2 3.8Å; V551-T565 PolarHBondContact N-O 2.98Å
566	H	97.4	Very high	96.7	Very high	86 Å²	86	44.7 Å²	44.7	40%	0.398	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.2	169.9	-60.6	-100.6	0	0	0	109.6	W322 D549 E563	W322-H566 PolarHBondContact NE1-O 2.86Å; W322-H566 VanDerWaalsContact NE1-O 3.13Å; D549-H566 HydrophobicContact CB-CB 4.31Å; D549-H566 CarbonylContact O-C 3.59Å; D549-H566 WeakPolarHBondContact O-CA 3.16Å; D549-H566 IonicContact OD1-CE1 2.73Å; D549-H566 IonicContact OD1-CG 3.41Å; D549-H566 IonicContact OD1-ND1 3.83Å; D549-H566 PolarHBondContact OD1-ND1 3.48Å; E563-H566 IonicContact OE1-CE1 3.31Å; E563-H566 IonicContact OE1-NE2 3.04Å; E563-H566 PolarHBondContact OE1-NE2 3.1Å
567	I	94.4	Very high	96.9	Very high	2 Å²	2	43 Å²	43	1%	0.01	25%	0.245	C	C	.	.			trans	-64.8	147.4	167.7	-49.6	170.4	0	0	0	107.6	W322 L539 D549 V551 S569	W322-I567 HydrophobicContact CH2-CB 4.38Å; W322-I567 HydrophobicContact CH2-CG1 3.85Å; W322-I567 HydrophobicContact CH2-CG2 4.36Å; W322-I567 HydrophobicContact CZ2-CB 4.39Å; W322-I567 HydrophobicContact CZ2-CG1 3.98Å; L539-I567 HydrophobicContact CB-CD1 3.98Å; D549-I567 WeakPolarHBondContact CB-O 3.26Å; D549-I567 WeakPolarHBondContact O-CG1 3.39Å; D549-I567 PolarHBondContact O-N 3.15Å; V551-I567 HydrophobicContact CG2-CD1 4.46Å; V551-I567 HydrophobicContact CG2-CG1 3.77Å; I567-S569 PolarHBondContact O-N 2.86Å
568	T	91.5	Very high	96.9	Very high	89 Å²	89	36.1 Å²	36.1	55%	0.546	22%	0.215	S	C	.	.	S	Bend	trans	-54.5	-26.2	-177	59.3	0	0	0	0	115.1	E313 R571	E313-T568 WeakPolarHBondContact OE1-CB 3.44Å; E313-T568 WeakPolarHBondContact OE1-CG2 3.2Å; E313-T568 PolarHBondContact OE1-OG1 2.83Å; E313-T568 PolarHBondContact OE2-OG1 2.76Å; T568-R571 PolarHBondContact OG1-NH2 2.94Å
569	S	92	Very high	96.7	Very high	37 Å²	37	32.4 Å²	32.4	26%	0.259	19%	0.192	S	C	.	.	S	Bend	trans	-151.7	129.8	174.8	176.2	0	0	0	0	109.5	I567 R571	I567-S569 PolarHBondContact O-N 2.86Å; S569-R571 PolarHBondContact O-N 2.85Å; S569-R571 PolarHBondContact O-NE 2.95Å; S569-R571 PolarHBondContact O-NH2 2.94Å
570	G	95.8	Very high	96.3	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	19%	0.185	C	C	.	.			trans	-56.9	133	179.3	0	0	0	0	0	112.4	F305 F547 L548	F305-G570 WeakPolarHBondContact CD2-O 3.39Å; F547-G570 WeakPolarHBondContact O-CA 3.45Å; L548-G570 CarbonylContact O-C 3.54Å; L548-G570 VanDerWaalsContact O-CA 3.23Å; L548-G570 WeakPolarHBondContact O-CA 3.37Å
571	R	98.1	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.			trans	-160.4	156.9	-174	65.7	-171.7	76.4	156.4	12.6	112	Y304 L309 Y311 E313 G541 L548 T568 S569 V574	Y304-R571 WeakPolarHBondContact O-CA 3.36Å; L309-R571 HydrophobicContact CD1-CB 3.93Å; Y311-R571 VanDerWaalsContact CB-NH1 3.35Å; Y311-R571 VanDerWaalsContact CD2-CZ 3.48Å; E313-R571 IonicContact OE2-CZ 3.2Å; E313-R571 IonicContact OE2-NH1 2.76Å; E313-R571 PolarHBondContact OE2-NH1 3.49Å; E313-R571 IonicContact OE2-NH2 3.45Å; E313-R571 PolarHBondContact OE2-NH2 3.4Å; G541-R571 PolarHBondContact N-O 2.98Å; L548-R571 PolarHBondContact O-N 3.45Å; T568-R571 PolarHBondContact OG1-NH2 2.94Å; S569-R571 PolarHBondContact O-N 2.85Å; S569-R571 PolarHBondContact O-NE 2.95Å; S569-R571 PolarHBondContact O-NH2 2.94Å; R571-V574 HydrophobicContact CG-CG1 3.63Å
572	S	98.3	Very high	95.2	Very high	13 Å²	13	29.9 Å²	29.9	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	166.8	173.9	71.6	0	0	0	0	111.8	G303 Y304 V574	G303-S572 CarbonylContact C-O 3.59Å; G303-S572 WeakPolarHBondContact CA-O 3.22Å; Y304-S572 PolarHBondContact N-O 3.41Å; Y304-S572 PolarHBondContact O-N 2.94Å; Y304-S572 VanDerWaalsContact O-N 3.12Å; S572-V574 PolarHBondContact O-N 3.28Å
573	G	97.8	Very high	94.4	Very high	11 Å²	11	29.1 Å²	29.1	11%	0.113	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.3	37.8	173.2	0	0	0	0	0	113.5	G334 A526	G334-G573 PolarHBondContact N-O 3.37Å; A526-G573 PolarHBondContact O-N 3.03Å
574	V	98.4	Very high	93	Very high	10 Å²	10	31.4 Å²	31.4	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	149.4	177.1	-65.4	0	0	0	0	111.2	T300 R571 S572 V576	T300-V574 WeakPolarHBondContact OG1-CB 3.42Å; R571-V574 HydrophobicContact CG-CG1 3.63Å; S572-V574 PolarHBondContact O-N 3.28Å; V574-V576 HydrophobicContact CG2-CG2 3.83Å
575	G	98.4	Very high	91.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.4	163.3	0	0	0	0	0	109.9	T300 A301	T300-G575 CarbonylContact C-O 3.56Å; T300-G575 WeakPolarHBondContact CA-O 3.41Å; A301-G575 PolarHBondContact N-O 2.89Å; A301-G575 PolarHBondContact O-N 3.44Å
576	V	98.6	Very high	88.8	Confident	14 Å²	14	37.6 Å²	37.6	9%	0.085	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	-178.8	-176.2	0	0	0	0	110.7	I298 Y299 T530 L539 V574	I298-V576 HydrophobicContact CG2-CG1 3.67Å; Y299-V576 VanDerWaalsContact O-CA 3.25Å; Y299-V576 WeakPolarHBondContact O-CA 3.27Å; Y299-V576 WeakPolarHBondContact O-CG1 3.49Å; T530-V576 HydrophobicContact CG2-CG1 3.8Å; L539-V576 HydrophobicContact CD1-CG1 4.06Å; L539-V576 HydrophobicContact CD1-CG2 4.37Å; V574-V576 HydrophobicContact CG2-CG2 3.83Å
577	A	98	Very high	86.7	Confident	7 Å²	7	34.9 Å²	34.9	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.3	170.9	0	0	0	0	0	111	Y299 A337 V339 F344	Y299-A577 PolarHBondContact N-O 3.15Å; Y299-A577 PolarHBondContact O-N 2.76Å; Y299-A577 VanDerWaalsContact O-N 3.13Å; A337-A577 HydrophobicContact CB-CB 4.29Å; V339-A577 HydrophobicContact CG2-CB 3.66Å; F344-A577 HydrophobicContact CD2-CB 3.94Å; F344-A577 HydrophobicContact CE2-CB 3.71Å
578	V	95.6	Very high	84.2	Confident	30 Å²	30	38 Å²	38	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.5	178.4	174	0	0	0	0	109.5	Q296 L297 I298 V339 T530 L532	Q296-V578 HydrophobicContact CB-CG1 4.04Å; L297-V578 WeakPolarHBondContact O-CA 3.24Å; I298-V578 HydrophobicContact CG1-CG2 4.13Å; V339-V578 WeakPolarHBondContact CG2-O 3.42Å; T530-V578 HydrophobicContact CG2-CG2 3.72Å; T530-V578 WeakPolarHBondContact OG1-CG2 3.07Å; L532-V578 HydrophobicContact CB-CG2 4.14Å; L532-V578 HydrophobicContact CD1-CG1 3.84Å; L532-V578 HydrophobicContact CD2-CG1 4.31Å; L532-V578 HydrophobicContact CD2-CG2 4.36Å
579	T	92.3	Very high	81.7	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-178.9	167.9	-167	0	0	0	0	110.1	L297 Y299 V339 G342 P368	L297-T579 PolarHBondContact N-O 2.79Å; L297-T579 PolarHBondContact O-N 2.81Å; Y299-T579 HydrophobicContact CD2-CG2 3.64Å; Y299-T579 HydrophobicContact CE1-CG2 4.33Å; Y299-T579 HydrophobicContact CE2-CG2 3.23Å; Y299-T579 HydrophobicContact CG-CG2 4.35Å; V339-T579 HydrophobicContact CG2-CG2 4.27Å; G342-T579 PolarHBondContact O-OG1 2.84Å; P368-T579 HydrophobicContact CG-CG2 3.98Å
580	M	88.4	Confident	79	Confident	45 Å²	45	45.2 Å²	45.2	22%	0.222	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	154.7	-176.3	-52.5	-74.7	-74.4	0	0	112	V294 Y299	V294-M580 HydrophobicContact CB-CE 3.47Å; V294-M580 VanDerWaalsContact CB-CE 3.47Å; V294-M580 HydrophobicContact CB-SD 4.26Å; V294-M580 HydrophobicContact CG1-CE 3.75Å; V294-M580 HydrophobicContact CG2-CE 3.02Å; V294-M580 HydrophobicContact CG2-SD 3.41Å; V294-M580 WeakPolarHBondContact CG2-SD 3.38Å; Y299-M580 PolarHBondContact OH-O 3.2Å
581	E	88.4	Confident	76.1	Confident	55 Å²	55	52.9 Å²	52.9	26%	0.257	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-55.4	132.6	169.5	-175	174.3	-168.8	0	0	110.8	P295 L297 Q584	P295-E581 HydrophobicContact CB-CB 4.15Å; P295-E581 VanDerWaalsContact CG-OE2 3.32Å; P295-E581 WeakPolarHBondContact CG-OE2 3.38Å; P295-E581 PolarHBondContact O-N 3.07Å; L297-E581 HydrophobicContact CD1-CB 4.2Å; L297-E581 HydrophobicContact CD1-CG 4.11Å; L297-E581 HydrophobicContact CG-CB 4.24Å; E581-Q584 PolarHBondContact OE1-NE2 2.93Å
582	P	87.1	Confident	72.8	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.019	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71.4	153.1	179.6	28.5	-30.2	0	0	0	111.1	Y299 L323 L325 P368 Q584 L587	Y299-P582 VanDerWaalsContact OH-CD 3.26Å; Y299-P582 WeakPolarHBondContact OH-CD 3.21Å; L323-P582 HydrophobicContact CD1-CG 4.1Å; L325-P582 HydrophobicContact CD1-CG 4.4Å; L325-P582 HydrophobicContact CD2-CB 4.32Å; L325-P582 HydrophobicContact CD2-CG 3.75Å; P368-P582 HydrophobicContact CB-CB 4Å; P368-P582 CarbonylContact O-C 3.59Å; P368-P582 WeakPolarHBondContact O-CA 3.42Å; P368-P582 VanDerWaalsContact O-CB 3.22Å; P368-P582 WeakPolarHBondContact O-CB 3.48Å; P582-Q584 PolarHBondContact O-N 3.35Å; P582-Q584 VanDerWaalsContact O-N 3.15Å; P582-L587 HydrophobicContact CG-CD1 4.49Å
583	C	80.4	Confident	69.5	Low	38 Å²	38	65.8 Å²	65.8	26%	0.257	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.5	116.5	-179.2	-175.1	0	0	0	0	111.2	P368 M369 K585 G586	P368-C583 PolarHBondContact O-N 2.69Å; M369-C583 HydrophobicContact CE-CB 4.12Å; M369-C583 VanDerWaalsContact O-CB 3.26Å; M369-C583 WeakPolarHBondContact O-CB 3.49Å; M369-C583 HydrophobicContact SD-CB 4.45Å; C583-K585 PolarHBondContact O-N 2.87Å; C583-G586 PolarHBondContact O-N 2.9Å
584	Q	68.8	Low	66.4	Low	122 Å²	122	74.1 Å²	74.1	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-67.7	-19.2	-176.9	-62.3	-174.4	0.2	0	0	114.1	E581 P582 G586 L587	E581-Q584 PolarHBondContact OE1-NE2 2.93Å; P582-Q584 PolarHBondContact O-N 3.35Å; P582-Q584 VanDerWaalsContact O-N 3.15Å; Q584-G586 PolarHBondContact O-N 3.23Å; Q584-L587 PolarHBondContact O-N 3.08Å
585	K	57.8	Low	63.1	Low	181 Å²	181	77.9 Å²	77.9	79%	0.787	40%	0.401	S	S	*	.	H	α-helix	trans	-59.3	-30.9	179.2	-68.6	-176.5	179.1	177.9	0	112.4	C583 S588	C583-K585 PolarHBondContact O-N 2.87Å; K585-S588 PolarHBondContact O-OG 3.45Å
586	G	46.6	Very low	59.7	Low	29 Å²	29	87.4 Å²	87.4	30%	0.299	44%	0.443	S	S	.	.	H	α-helix	trans	-82.9	-30	177.2	0	0	0	0	0	114.7	C583 Q584 S588 R589	C583-G586 PolarHBondContact O-N 2.9Å; Q584-G586 PolarHBondContact O-N 3.23Å; G586-S588 VanDerWaalsContact C-N 3.34Å; G586-S588 PolarHBondContact O-N 3.23Å; G586-R589 PolarHBondContact O-N 2.93Å
587	L	54	Low	56.3	Low	29 Å²	29	96 Å²	96	15%	0.152	48%	0.482	C	S	.	.	H	α-helix	trans	-69.6	-30.9	-176.8	-67.2	169.3	0	0	0	112.6	L325 P582 Q584 R589 S590	L325-L587 HydrophobicContact CD2-CD1 4.44Å; L325-L587 HydrophobicContact CD2-CD2 3.89Å; P582-L587 HydrophobicContact CG-CD1 4.49Å; Q584-L587 PolarHBondContact O-N 3.08Å; L587-R589 VanDerWaalsContact C-N 3.27Å; L587-R589 PolarHBondContact O-N 3.13Å; L587-S590 PolarHBondContact O-OG 2.87Å; L587-S590 VanDerWaalsContact O-OG 3.1Å
588	S	41.9	Very low	52.8	Low	67 Å²	67	98.9 Å²	98.9	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-70.2	-20.1	175.9	67.3	0	0	0	0	114.1	K585 G586	K585-S588 PolarHBondContact O-OG 3.45Å; G586-S588 VanDerWaalsContact C-N 3.34Å; G586-S588 PolarHBondContact O-N 3.23Å
589	R	38.4	Very low	49.5	Very low	207 Å²	207	103.2 Å²	103.2	78%	0.781	54%	0.544	S	S	*	.	H	α-helix	trans	-82	-35.3	177.8	-106.1	-179	176.1	180	-0.7	112.5	G586 L587 K592	G586-R589 PolarHBondContact O-N 2.93Å; L587-R589 VanDerWaalsContact C-N 3.27Å; L587-R589 PolarHBondContact O-N 3.13Å; R589-K592 PolarHBondContact O-N 2.87Å
590	S	35.6	Very low	46.5	Very low	70 Å²	70	110.4 Å²	110.4	49%	0.49	58%	0.58	S	S	.	*	H	α-helix	trans	-75.6	-22.3	179	56.8	0	0	0	0	113.6	L587 T593	L587-S590 PolarHBondContact O-OG 2.87Å; L587-S590 VanDerWaalsContact O-OG 3.1Å; S590-T593 PolarHBondContact O-OG1 2.9Å
591	Q	34.6	Very low	43.6	Very low	171 Å²	171	115 Å²	115	80%	0.799	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-12.9	173.1	-71.7	-173.5	-17	0	0	113.9
592	K	30.4	Very low	40.6	Very low	165 Å²	165	120.3 Å²	120.3	72%	0.717	64%	0.635	S	S	*	*	S	Bend	trans	-99.5	-0.5	-179.6	-78.4	-171.9	175.4	-176.8	0	114.8	R589 E594	R589-K592 PolarHBondContact O-N 2.87Å; K592-E594 VanDerWaalsContact C-N 3.29Å; K592-E594 PolarHBondContact O-N 2.67Å
593	T	29.1	Very low	37.7	Very low	120 Å²	120	125.6 Å²	125.6	74%	0.736	67%	0.672	S	S	*	*	S	Bend	trans	-83.5	4.7	179.2	32.9	0	0	0	0	115.2	S590	S590-T593 PolarHBondContact O-OG1 2.9Å
594	E	32.6	Very low	35.1	Very low	185 Å²	185	130.2 Å²	130.2	86%	0.864	70%	0.699	S	S	*	*	S	Bend	trans	-118.5	68.9	162.6	-74	-172.9	167.3	0	0	110.1	K592	K592-E594 VanDerWaalsContact C-N 3.29Å; K592-E594 PolarHBondContact O-N 2.67Å
595	S	28.5	Very low	33	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	71%	0.71	S	S	*	*	S	Bend	trans	175.2	131.7	145.5	44.5	0	0	0	0	111.9
596	F	26.8	Very low	31.5	Very low	201 Å²	201	126 Å²	126	88%	0.882	71%	0.706	S	S	*	*			trans	76.5	90.1	169.4	-72.3	-84	0	0	0	118.5
597	E	27.7	Very low	30.6	Very low	195 Å²	195	131.7 Å²	131.7	91%	0.911	73%	0.73	S	S	*	*			trans	-66.4	139.1	139.2	-80.3	-175.4	150.8	0	0	110.2
598	G	24.6	Very low	29.2	Very low	67 Å²	67	140.3 Å²	140.3	69%	0.691	77%	0.766	S	S	*	*			trans	112.8	93	159.1	0	0	0	0	0	114.8
599	S	26.3	Very low	28.4	Very low	121 Å²	121	141.7 Å²	141.7	85%	0.846	78%	0.776	S	S	*	*				171.7	145.9	112.7	41	0	0	0	0	112.3
600	I	29.1	Very low	27.9	Very low	157 Å²	157	140.6 Å²	140.6	81%	0.805	78%	0.779	S	S	*	*			trans	-67.3	133.5	-176.4	-65.8	154.3	0	0	0	110.4
601	V	27.1	Very low	27.6	Very low	141 Å²	141	143.2 Å²	143.2	86%	0.855	80%	0.797	S	S	*	*			trans	-138.9	127.7	154.9	-171.3	0	0	0	0	111.1
602	Q	25.2	Very low	27.5	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	80%	0.798	S	S	*	*			trans	-68.5	151.8	-177	-69.1	166.9	-48.2	0	0	113.3
603	S	25.5	Very low	27.5	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	80%	0.795	S	S	*	*			trans	-53.6	130.4	164.4	51.2	0	0	0	0	113
604	V	25.8	Very low	28	Very low	135 Å²	135	141 Å²	141	82%	0.818	79%	0.788	S	S	*	*			trans	-132.4	107.6	155.1	-174.4	0	0	0	0	108.2
605	S	25.4	Very low	28	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	81%	0.809	S	S	*	*			trans	-69	135.3	161	48.5	0	0	0	0	109.7
606	S	27.3	Very low	28	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	82%	0.819	S	S	*	*			trans	-145.7	119.7	161.1	58.9	0	0	0	0	110.3
607	D	26.6	Very low	28	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	82%	0.815	S	S	*	*			trans	-55.8	136.6	179.3	-62.6	-63.4	0	0	0	113.5
608	F	25.1	Very low	28.1	Very low	210 Å²	210	137.8 Å²	137.8	92%	0.921	81%	0.81	S	S	*	*			trans	-128.6	93.3	154.4	-91.8	-83.9	0	0	0	108.2
609	S	25.6	Very low	28.3	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	82%	0.817	S	S	*	*			trans	-120.1	134.6	163	62.7	0	0	0	0	108.1
610	Q	27.6	Very low	28.4	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	82%	0.815	S	S	*	*			trans	133.7	91	156.5	-70.1	-178.7	19.7	0	0	113
611	C	29.7	Very low	28.3	Very low	126 Å²	126	142.3 Å²	142.3	85%	0.851	82%	0.816	S	S	*	*			trans	-136.9	104.9	149.9	-87.2	0	0	0	0	106.6
612	E	31.4	Very low	28.4	Very low	176 Å²	176	142.4 Å²	142.4	82%	0.822	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-63.2	152.5	178.9	-73.5	-167.5	154.7	0	0	112.3
613	P	31.2	Very low	28.7	Very low	103 Å²	103	140.5 Å²	140.5	67%	0.669	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-80	147.2	178.6	30	-27.3	0	0	0	112.5
614	F	39.9	Very low	28.9	Very low	131 Å²	131	142.8 Å²	142.8	58%	0.575	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-77.7	128.3	167.6	-74.7	-69.6	0	0	0	110.2
615	S	31.6	Very low	29.2	Very low	189 Å²	189	143.5 Å²	143.5	100%	1.322	82%	0.817	S	S	*	*			trans	-81.1	0	160.9	55.3	0	0	0	0	111.3

Retrieved 615 of 615 residues in 211.6 ms (Link to these results)

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