A0A077ZJ28_TRITR Loading...

Probable methylcrotonoyl-CoA carboxylase beta chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZJ28, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 555 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	37	Very low	238 Å²	238	148.3 Å²	148.3	100%	1.172	82%	0.822	S	S	*	*				0	100.7	0	-68.4	-179.9	-165.5	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 3.36Å
2	H	36.5	Very low	37.1	Very low	195 Å²	195	150.1 Å²	150.1	90%	0.903	83%	0.829	S	S	*	*			trans	-79.8	100.5	179.5	-77	-68	0	0	0	109.5	T4	H2-T4 PolarHBondContact O-N 3.32Å
3	T	39.7	Very low	36.8	Very low	133 Å²	133	142.9 Å²	142.9	82%	0.816	81%	0.811	S	S	*	*			trans	-84.6	98.4	162	43.8	0	0	0	0	108.1	M1 S5	M1-T3 PolarHBondContact O-N 3.36Å; T3-S5 PolarHBondContact O-N 3.47Å; T3-S5 VanDerWaalsContact O-N 3.14Å
4	T	38.1	Very low	36.9	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	81%	0.812	S	S	*	*			trans	-64	102.2	165	25.3	0	0	0	0	108.9	H2 I6	H2-T4 PolarHBondContact O-N 3.32Å; T4-I6 PolarHBondContact O-N 3.31Å
5	S	37.1	Very low	37.8	Very low	112 Å²	112	144.5 Å²	144.5	78%	0.783	81%	0.806	S	S	*	*			trans	-73.8	111.9	166.9	54.4	0	0	0	0	108.8	T3	T3-S5 PolarHBondContact O-N 3.47Å; T3-S5 VanDerWaalsContact O-N 3.14Å
6	I	36.6	Very low	38.9	Very low	154 Å²	154	140.3 Å²	140.3	79%	0.79	79%	0.785	S	S	*	*			trans	-59.3	126.9	170.9	-60.1	169.7	0	0	0	107.9	T4 C8	T4-I6 PolarHBondContact O-N 3.31Å; I6-C8 PolarHBondContact O-N 3.04Å
7	P	32.8	Very low	41	Very low	103 Å²	103	142.6 Å²	142.6	67%	0.669	79%	0.788	S	S	*	*			trans	-69.7	119.4	171	17.2	-9.7	0	0	0	107.8	Q9	P7-Q9 VanDerWaalsContact C-N 3.26Å; P7-Q9 PolarHBondContact O-N 2.98Å
8	C	34.8	Very low	43.8	Very low	114 Å²	114	137.3 Å²	137.3	77%	0.77	76%	0.755	S	S	*	*			trans	-66.1	94.3	164.3	-124.9	0	0	0	0	106.8	I6 H10	I6-C8 PolarHBondContact O-N 3.04Å; C8-H10 VanDerWaalsContact C-N 3.31Å; C8-H10 PolarHBondContact O-N 3.22Å
9	Q	31.8	Very low	46.5	Very low	179 Å²	179	133.8 Å²	133.8	84%	0.836	74%	0.739	S	S	*	*			trans	-62.9	98.2	163.5	-75.3	-176.2	-18.6	0	0	106.9	P7 S11	P7-Q9 VanDerWaalsContact C-N 3.26Å; P7-Q9 PolarHBondContact O-N 2.98Å; Q9-S11 VanDerWaalsContact C-N 3.27Å; Q9-S11 PolarHBondContact O-N 3.41Å
10	H	42.7	Very low	49	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.787	72%	0.724	S	S	*	*			trans	-67.5	99.1	157.3	-82.8	-50.5	0	0	0	106.6	C8 N12	C8-H10 VanDerWaalsContact C-N 3.31Å; C8-H10 PolarHBondContact O-N 3.22Å; H10-N12 PolarHBondContact O-N 3.32Å
11	S	35.9	Very low	51.2	Low	99 Å²	99	126 Å²	126	69%	0.692	70%	0.697	S	S	*	*			trans	-43.4	131.1	159.2	50.1	0	0	0	0	109.1	Q9 G13	Q9-S11 VanDerWaalsContact C-N 3.27Å; Q9-S11 PolarHBondContact O-N 3.41Å; S11-G13 PolarHBondContact O-N 2.92Å
12	N	38	Very low	53.8	Low	170 Å²	170	116 Å²	116	91%	0.909	66%	0.655	S	S	*	*			trans	-64.7	54.6	164	-80	-27.1	0	0	0	110.7	H10	H10-N12 PolarHBondContact O-N 3.32Å
13	G	33.4	Very low	56.6	Low	57 Å²	57	110.5 Å²	110.5	59%	0.588	64%	0.636	S	S	*	*			trans	-88.1	127.3	172.9	0	0	0	0	0	109.4	S11	S11-G13 PolarHBondContact O-N 2.92Å
14	D	39.2	Very low	59.2	Low	156 Å²	156	111.6 Å²	111.6	83%	0.834	63%	0.632	S	S	*	*	S	Bend	trans	-11.1	131.1	173	-79.5	-46.8	0	0	0	118.7	T16	D14-T16 PolarHBondContact O-N 3.08Å
15	Q	49.3	Very low	61.9	Low	153 Å²	153	106.5 Å²	106.5	72%	0.715	60%	0.601	S	S	*	*			trans	1	100.3	160.6	-57.2	-171	6.3	0	0	115.9	E17	Q15-E17 PolarHBondContact O-N 3.43Å
16	T	55.7	Low	64.7	Low	77 Å²	77	106.3 Å²	106.3	47%	0.472	59%	0.591	S	S	.	*			trans	-57.7	109.6	153.1	34.3	0	0	0	0	108.1	D14 W18	D14-T16 PolarHBondContact O-N 3.08Å; T16-W18 PolarHBondContact O-N 3.29Å
17	E	74.9	Confident	67.5	Low	180 Å²	180	103.9 Å²	103.9	84%	0.841	57%	0.572	S	S	*	*			trans	-68	63.9	175.3	-69.5	-173.1	155.9	0	0	111.1	Q15	Q15-E17 PolarHBondContact O-N 3.43Å
18	W	91.5	Very high	70.5	Confident	48 Å²	48	106 Å²	106	18%	0.182	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-69.3	136.7	166.8	-69	-5.8	0	0	0	109.2	T16 K335 F337 F351 A352 R353 T358	T16-W18 PolarHBondContact O-N 3.29Å; W18-K335 HydrophobicContact CB-CB 3.99Å; W18-K335 HydrophobicContact CB-CD 4.49Å; W18-K335 HydrophobicContact CB-CG 4.47Å; W18-F337 HydrophobicContact CD2-CB 4.07Å; W18-F337 HydrophobicContact CG-CB 3.9Å; W18-F351 HydrophobicContact CH2-CB 4.13Å; W18-F351 HydrophobicContact CZ2-CB 4.25Å; W18-A352 VanDerWaalsContact CZ3-CA 3.46Å; W18-R353 HydrophobicContact CH2-CG 4.27Å; W18-R353 HydrophobicContact CZ3-CG 3.86Å; W18-T358 HydrophobicContact CH2-CG2 4.38Å
19	P	94.6	Very high	73.5	Confident	71 Å²	71	102.3 Å²	102.3	46%	0.461	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-64.6	143.4	-178.7	25.8	-31	0	0	0	110.2	K335 F336	P19-K335 WeakPolarHBondContact O-CA 3.49Å; P19-F336 VanDerWaalsContact CG-O 3.32Å; P19-F336 WeakPolarHBondContact CG-O 3.44Å; P19-F336 PolarHBondContact O-N 2.92Å
20	T	96	Very high	76.5	Confident	70 Å²	70	101.1 Å²	101.1	43%	0.429	54%	0.544	S	S	.	.	B	Isolated β-bridge	trans	-78	134.6	169.8	-58.7	0	0	0	0	108.7	K303 S334	T20-K303 HydrophobicContact CG2-CD 3.74Å; T20-K303 PolarHBondContact OG1-NZ 3.01Å; T20-S334 WeakPolarHBondContact CA-O 3.15Å
21	I	97	Very high	79	Confident	32 Å²	32	96.2 Å²	96.2	16%	0.164	53%	0.526	C	S	.	.			trans	-118	172.1	179.6	58.2	156.3	0	0	0	111.7	I327 A328 S334 F336	I21-I327 HydrophobicContact CD1-CB 3.97Å; I21-I327 HydrophobicContact CD1-CG2 3.79Å; I21-A328 HydrophobicContact CD1-CB 4.09Å; I21-A328 HydrophobicContact CG1-CB 3.9Å; I21-A328 WeakPolarHBondContact O-CB 3.48Å; I21-S334 VanDerWaalsContact CG1-O 3.27Å; I21-S334 WeakPolarHBondContact CG1-O 3.46Å; I21-S334 PolarHBondContact N-O 3.46Å; I21-F336 HydrophobicContact CD1-CB 3.44Å; I21-F336 VanDerWaalsContact CD1-CB 3.44Å; I21-F336 HydrophobicContact CD1-CD1 4.02Å; I21-F336 HydrophobicContact CD1-CG 3.92Å; I21-F336 HydrophobicContact CG1-CB 3.73Å; I21-F336 HydrophobicContact CG2-CB 4.07Å
22	G	93.9	Very high	81.9	Confident	29 Å²	29	92.3 Å²	92.3	30%	0.299	50%	0.497	S	S	.	.			trans	88.2	163.4	179.4	0	0	0	0	0	113.1
23	T	95.2	Very high	84.8	Confident	80 Å²	80	88.6 Å²	88.6	49%	0.491	48%	0.476	S	S	.	.			trans	-127.2	158.7	-177.6	61.4	0	0	0	0	111.4	P25 E325 R329	T23-P25 VanDerWaalsContact O-CD 3.3Å; T23-P25 WeakPolarHBondContact O-CD 3.29Å; T23-E325 WeakPolarHBondContact CB-OE1 3.23Å; T23-E325 WeakPolarHBondContact CG2-OE1 3.36Å; T23-E325 PolarHBondContact N-OE1 3.17Å; T23-E325 PolarHBondContact N-OE2 3.24Å; T23-E325 PolarHBondContact OG1-OE1 2.99Å; T23-R329 PolarHBondContact O-NH2 3.22Å
24	E	94.9	Very high	87.8	Confident	156 Å²	156	89.5 Å²	89.5	73%	0.729	47%	0.465	S	S	*	.			trans	-81	110.9	164.3	-68.7	-169.8	174.4	0	0	108.7	L304	E24-L304 HydrophobicContact CG-CD2 4.17Å
25	P	94.3	Very high	90.6	Very high	26 Å²	26	82.5 Å²	82.5	17%	0.169	43%	0.428	C	S	.	.			trans	-70.4	151.7	-178.5	30.2	-35.4	0	0	0	110.3	T23 R27 F32 D308 I312	T23-P25 VanDerWaalsContact O-CD 3.3Å; T23-P25 WeakPolarHBondContact O-CD 3.29Å; P25-R27 VanDerWaalsContact C-N 3.31Å; P25-R27 HydrophobicContact CG-CG 4.41Å; P25-R27 PolarHBondContact O-N 3.05Å; P25-F32 HydrophobicContact CB-CD2 3.83Å; P25-F32 HydrophobicContact CB-CE2 3.75Å; P25-F32 HydrophobicContact CG-CD2 4.1Å; P25-F32 HydrophobicContact CG-CE2 3.49Å; P25-F32 VanDerWaalsContact CG-CE2 3.49Å; P25-F32 HydrophobicContact CG-CZ 4.2Å; P25-D308 WeakPolarHBondContact CD-OD2 3.45Å; P25-D308 HydrophobicContact CG-CB 4.09Å; P25-I312 HydrophobicContact CB-CG1 4.34Å; P25-I312 HydrophobicContact CG-CD1 4.29Å; P25-I312 HydrophobicContact CG-CG1 4.37Å
26	N	95.4	Very high	92.9	Very high	108 Å²	108	76.8 Å²	76.8	58%	0.578	40%	0.402	S	S	*	.			trans	-70	91	168.3	-177.7	-5.1	0	0	0	110	L28 S29 F32	N26-L28 PolarHBondContact O-N 3.47Å; N26-L28 VanDerWaalsContact O-N 3.17Å; N26-L28 PolarHBondContact OD1-N 3.32Å; N26-L28 VanDerWaalsContact OD1-N 3.1Å; N26-S29 VanDerWaalsContact O-CB 3.29Å; N26-S29 WeakPolarHBondContact O-CB 3.19Å; N26-S29 PolarHBondContact O-N 3.09Å; N26-S29 PolarHBondContact O-OG 3.23Å; N26-S29 PolarHBondContact OD1-N 2.98Å; N26-F32 WeakPolarHBondContact O-CB 3.46Å
27	R	96.2	Very high	94.9	Very high	104 Å²	104	79.9 Å²	79.9	39%	0.392	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18	-179.7	-62.3	-177.6	-176.8	117.7	10.5	113.9	P25 F32 L33 D308	P25-R27 VanDerWaalsContact C-N 3.31Å; P25-R27 HydrophobicContact CG-CG 4.41Å; P25-R27 PolarHBondContact O-N 3.05Å; R27-F32 HydrophobicContact CB-CD1 4.23Å; R27-F32 HydrophobicContact CB-CE1 4.06Å; R27-F32 HydrophobicContact CG-CD1 4.49Å; R27-F32 HydrophobicContact CG-CE1 3.95Å; R27-F32 HydrophobicContact CG-CZ 3.98Å; R27-L33 WeakPolarHBondContact O-CD2 3.39Å; R27-D308 IonicContact CZ-OD1 3.62Å; R27-D308 IonicContact CZ-OD2 2.72Å; R27-D308 IonicContact NE-OD1 3.51Å; R27-D308 PolarHBondContact NE-OD1 3.23Å; R27-D308 IonicContact NE-OD2 2.87Å; R27-D308 IonicContact NH2-OD1 3.48Å; R27-D308 PolarHBondContact NH2-OD1 2.92Å; R27-D308 VanDerWaalsContact NH2-OD1 3.13Å; R27-D308 IonicContact NH2-OD2 2.81Å; R27-D308 PolarHBondContact NH2-OD2 3.49Å
28	L	96.3	Very high	96	Very high	148 Å²	148	77.1 Å²	77.1	78%	0.775	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.7	176.6	-59	179.2	0	0	0	112.7	N26 K30	N26-L28 PolarHBondContact O-N 3.47Å; N26-L28 VanDerWaalsContact O-N 3.17Å; N26-L28 PolarHBondContact OD1-N 3.32Å; N26-L28 VanDerWaalsContact OD1-N 3.1Å; L28-K30 PolarHBondContact O-N 2.9Å
29	S	96.6	Very high	96.3	Very high	36 Å²	36	74.9 Å²	74.9	25%	0.252	39%	0.385	S	S	.	.	S	Bend	trans	-64.8	136.1	176.5	71.5	0	0	0	0	110.1	N26 T31 F32 L33	N26-S29 VanDerWaalsContact O-CB 3.29Å; N26-S29 WeakPolarHBondContact O-CB 3.19Å; N26-S29 PolarHBondContact O-N 3.09Å; N26-S29 PolarHBondContact O-OG 3.23Å; N26-S29 PolarHBondContact OD1-N 2.98Å; S29-T31 PolarHBondContact O-N 2.94Å; S29-T31 VanDerWaalsContact O-N 3.1Å; S29-F32 PolarHBondContact O-N 2.66Å; S29-F32 WeakPolarHBondContact OG-CB 3.33Å; S29-F32 PolarHBondContact OG-N 3.22Å; S29-L33 PolarHBondContact O-N 2.73Å
30	K	96.4	Very high	96.5	Very high	154 Å²	154	76.3 Å²	76.3	67%	0.67	38%	0.381	S	S	*	.	H	α-helix	trans	-48.6	-42.2	176.1	-179.3	179.2	179.6	179.9	0	111.6	L28 L33 Q34	L28-K30 PolarHBondContact O-N 2.9Å; K30-L33 PolarHBondContact O-N 3.36Å; K30-Q34 WeakPolarHBondContact O-CB 3.39Å; K30-Q34 VanDerWaalsContact O-CG 3.25Å; K30-Q34 WeakPolarHBondContact O-CG 3.12Å; K30-Q34 PolarHBondContact O-N 2.72Å
31	T	95.1	Very high	96.6	Very high	66 Å²	66	75.3 Å²	75.3	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-43.3	-179	-60.6	0	0	0	0	113	S29 N35	S29-T31 PolarHBondContact O-N 2.94Å; S29-T31 VanDerWaalsContact O-N 3.1Å; T31-N35 WeakPolarHBondContact O-CB 3.27Å; T31-N35 PolarHBondContact O-N 3.49Å
32	F	97	Very high	96.6	Very high	17 Å²	17	75.8 Å²	75.8	8%	0.075	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-45.9	176	-177.5	-83.6	0	0	0	111.1	P25 N26 R27 S29 Q34 N35 D36 G311 I312	P25-F32 HydrophobicContact CB-CD2 3.83Å; P25-F32 HydrophobicContact CB-CE2 3.75Å; P25-F32 HydrophobicContact CG-CD2 4.1Å; P25-F32 HydrophobicContact CG-CE2 3.49Å; P25-F32 VanDerWaalsContact CG-CE2 3.49Å; P25-F32 HydrophobicContact CG-CZ 4.2Å; N26-F32 WeakPolarHBondContact O-CB 3.46Å; R27-F32 HydrophobicContact CB-CD1 4.23Å; R27-F32 HydrophobicContact CB-CE1 4.06Å; R27-F32 HydrophobicContact CG-CD1 4.49Å; R27-F32 HydrophobicContact CG-CE1 3.95Å; R27-F32 HydrophobicContact CG-CZ 3.98Å; S29-F32 PolarHBondContact O-N 2.66Å; S29-F32 WeakPolarHBondContact OG-CB 3.33Å; S29-F32 PolarHBondContact OG-N 3.22Å; F32-Q34 VanDerWaalsContact C-N 3.34Å; F32-Q34 PolarHBondContact O-N 2.99Å; F32-N35 WeakPolarHBondContact O-CB 3.43Å; F32-N35 PolarHBondContact O-N 2.9Å; F32-D36 HydrophobicContact CE1-CB 4.42Å; F32-D36 WeakPolarHBondContact O-CB 3.31Å; F32-D36 PolarHBondContact O-N 3.09Å; F32-G311 VanDerWaalsContact CD2-C 3.49Å; F32-G311 VanDerWaalsContact CE2-CA 3.48Å; F32-G311 WeakPolarHBondContact O-CA 3.41Å; F32-I312 HydrophobicContact CE2-CG1 4.27Å
33	L	97.7	Very high	96.9	Very high	92 Å²	92	74.8 Å²	74.8	48%	0.482	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-41.7	179.8	-69	170.8	0	0	0	112.4	R27 S29 K30 D36 Q37	R27-L33 WeakPolarHBondContact O-CD2 3.39Å; S29-L33 PolarHBondContact O-N 2.73Å; K30-L33 PolarHBondContact O-N 3.36Å; L33-D36 PolarHBondContact O-N 3.32Å; L33-Q37 WeakPolarHBondContact O-CB 3.32Å; L33-Q37 PolarHBondContact O-N 2.85Å
34	Q	97.2	Very high	97	Very high	77 Å²	77	75 Å²	75	36%	0.36	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-43.1	176.6	-75.4	178.3	-21.1	0	0	112.2	K30 F32 R38	K30-Q34 WeakPolarHBondContact O-CB 3.39Å; K30-Q34 VanDerWaalsContact O-CG 3.25Å; K30-Q34 WeakPolarHBondContact O-CG 3.12Å; K30-Q34 PolarHBondContact O-N 2.72Å; F32-Q34 VanDerWaalsContact C-N 3.34Å; F32-Q34 PolarHBondContact O-N 2.99Å; Q34-R38 WeakPolarHBondContact O-CB 3.38Å; Q34-R38 VanDerWaalsContact O-CG 3.24Å; Q34-R38 WeakPolarHBondContact O-CG 3.28Å; Q34-R38 PolarHBondContact O-N 2.92Å; Q34-R38 VanDerWaalsContact O-N 3.11Å
35	N	97.5	Very high	97.1	Very high	9 Å²	9	72 Å²	72	5%	0.048	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-49.2	175.1	-87.9	14	0	0	0	111.5	T31 F32 Q37 R38 L39 Y310 G311 I312 R319	T31-N35 WeakPolarHBondContact O-CB 3.27Å; T31-N35 PolarHBondContact O-N 3.49Å; F32-N35 WeakPolarHBondContact O-CB 3.43Å; F32-N35 PolarHBondContact O-N 2.9Å; N35-Q37 PolarHBondContact O-N 2.91Å; N35-R38 PolarHBondContact O-N 3.1Å; N35-L39 WeakPolarHBondContact O-CB 3.34Å; N35-L39 PolarHBondContact O-N 3.49Å; N35-Y310 CarbonylContact C-O 3.56Å; N35-Y310 VanDerWaalsContact C-O 3.3Å; N35-G311 WeakPolarHBondContact CB-O 3.44Å; N35-G311 PolarHBondContact ND2-O 3.49Å; N35-I312 PolarHBondContact ND2-O 3.1Å; N35-R319 PolarHBondContact ND2-NH1 3.04Å; N35-R319 PolarHBondContact OD1-NH1 2.93Å
36	D	97.9	Very high	97.3	Very high	32 Å²	32	71.4 Å²	71.4	17%	0.171	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-50.6	-179.2	176.5	94.4	0	0	0	110.5	F32 L33 R38 L39 R40 Y310	F32-D36 HydrophobicContact CE1-CB 4.42Å; F32-D36 WeakPolarHBondContact O-CB 3.31Å; F32-D36 PolarHBondContact O-N 3.09Å; L33-D36 PolarHBondContact O-N 3.32Å; D36-R38 PolarHBondContact O-N 3.5Å; D36-L39 PolarHBondContact O-N 2.81Å; D36-R40 VanDerWaalsContact O-CB 3.29Å; D36-R40 WeakPolarHBondContact O-CB 3.49Å; D36-R40 VanDerWaalsContact O-CG 3.23Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 2.91Å; D36-R40 IonicContact OD1-CZ 3.64Å; D36-R40 IonicContact OD1-NE 3.01Å; D36-R40 PolarHBondContact OD1-NE 3.07Å; D36-R40 IonicContact OD1-NH2 2.77Å; D36-R40 PolarHBondContact OD1-NH2 3.38Å; D36-R40 VanDerWaalsContact OD2-CD 3.32Å; D36-R40 WeakPolarHBondContact OD2-CD 3.46Å; D36-R40 IonicContact OD2-CZ 2.8Å; D36-R40 IonicContact OD2-NE 2.83Å; D36-R40 PolarHBondContact OD2-NE 3.31Å; D36-Y310 PolarHBondContact N-O 3.21Å; D36-Y310 WeakPolarHBondContact OD1-CB 3.43Å
37	Q	98	Very high	97.4	Very high	142 Å²	142	70.1 Å²	70.1	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-58.3	-45.8	178.9	-174.4	-177.9	8.7	0	0	112.4	L33 N35 A41	L33-Q37 WeakPolarHBondContact O-CB 3.32Å; L33-Q37 PolarHBondContact O-N 2.85Å; N35-Q37 PolarHBondContact O-N 2.91Å; Q37-A41 PolarHBondContact O-N 3.03Å
38	R	97.6	Very high	97.5	Very high	123 Å²	123	69 Å²	69	46%	0.464	35%	0.349	S	S	.	.	H	α-helix	trans	-71.6	-43.1	-176.4	-70.6	176.6	-177.7	-173.6	-1.1	112.4	Q34 N35 D36 A41 L42 D315	Q34-R38 WeakPolarHBondContact O-CB 3.38Å; Q34-R38 VanDerWaalsContact O-CG 3.24Å; Q34-R38 WeakPolarHBondContact O-CG 3.28Å; Q34-R38 PolarHBondContact O-N 2.92Å; Q34-R38 VanDerWaalsContact O-N 3.11Å; N35-R38 PolarHBondContact O-N 3.1Å; D36-R38 PolarHBondContact O-N 3.5Å; R38-A41 WeakPolarHBondContact O-CB 3.33Å; R38-A41 PolarHBondContact O-N 3.34Å; R38-L42 PolarHBondContact O-N 2.93Å; R38-D315 HydrophobicContact CB-CB 4.01Å; R38-D315 WeakPolarHBondContact CD-OD1 3.3Å; R38-D315 WeakPolarHBondContact CD-OD2 3.42Å; R38-D315 IonicContact NH1-OD1 2.87Å
39	L	98	Very high	97.5	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.8	-40.3	178.2	-174.2	52.2	0	0	0	111.2	N35 D36 A41 L42 V43 Y310 N459 P526	N35-L39 WeakPolarHBondContact O-CB 3.34Å; N35-L39 PolarHBondContact O-N 3.49Å; D36-L39 PolarHBondContact O-N 2.81Å; L39-A41 VanDerWaalsContact C-N 3.27Å; L39-A41 PolarHBondContact O-N 2.97Å; L39-L42 HydrophobicContact CD1-CD1 4.3Å; L39-L42 WeakPolarHBondContact O-CB 3.42Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 3.35Å; L39-Y310 HydrophobicContact CD2-CD1 4.08Å; L39-Y310 HydrophobicContact CG-CD1 4.03Å; L39-N459 HydrophobicContact CD1-CB 3.75Å; L39-P526 HydrophobicContact CD2-CG 4.05Å; L39-P526 HydrophobicContact CG-CG 4.41Å
40	R	98.2	Very high	97.5	Very high	101 Å²	101	62.9 Å²	62.9	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-34	172.7	-73.4	-178.8	-169.5	-81.4	-0.1	112.8	D36 V43 N44 Y310	D36-R40 VanDerWaalsContact O-CB 3.29Å; D36-R40 WeakPolarHBondContact O-CB 3.49Å; D36-R40 VanDerWaalsContact O-CG 3.23Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 2.91Å; D36-R40 IonicContact OD1-CZ 3.64Å; D36-R40 IonicContact OD1-NE 3.01Å; D36-R40 PolarHBondContact OD1-NE 3.07Å; D36-R40 IonicContact OD1-NH2 2.77Å; D36-R40 PolarHBondContact OD1-NH2 3.38Å; D36-R40 VanDerWaalsContact OD2-CD 3.32Å; D36-R40 WeakPolarHBondContact OD2-CD 3.46Å; D36-R40 IonicContact OD2-CZ 2.8Å; D36-R40 IonicContact OD2-NE 2.83Å; D36-R40 PolarHBondContact OD2-NE 3.31Å; R40-V43 PolarHBondContact O-N 3.26Å; R40-N44 WeakPolarHBondContact O-CB 3.04Å; R40-N44 PolarHBondContact O-N 3.16Å; R40-Y310 HydrophobicContact CG-CD1 4.16Å; R40-Y310 HydrophobicContact CG-CD2 4.32Å; R40-Y310 HydrophobicContact CG-CE1 4.47Å; R40-Y310 HydrophobicContact CG-CG 4.06Å; R40-Y310 VanDerWaalsContact CZ-CE2 3.48Å; R40-Y310 VanDerWaalsContact NH1-CE2 3.27Å
41	A	98.3	Very high	97.5	Very high	49 Å²	49	62.6 Å²	62.6	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-42.5	174.1	0	0	0	0	0	111.7	Q37 R38 L39 N44 N45	Q37-A41 PolarHBondContact O-N 3.03Å; R38-A41 WeakPolarHBondContact O-CB 3.33Å; R38-A41 PolarHBondContact O-N 3.34Å; L39-A41 VanDerWaalsContact C-N 3.27Å; L39-A41 PolarHBondContact O-N 2.97Å; A41-N44 PolarHBondContact O-N 3.45Å; A41-N45 PolarHBondContact O-N 2.94Å; A41-N45 PolarHBondContact O-ND2 3.19Å; A41-N45 PolarHBondContact O-OD1 3.34Å
42	L	98	Very high	97.6	Very high	42 Å²	42	65.9 Å²	65.9	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-43.2	174.6	-63	174.5	0	0	0	112.1	R38 L39 N45 V46 D315 P458 N459	R38-L42 PolarHBondContact O-N 2.93Å; L39-L42 HydrophobicContact CD1-CD1 4.3Å; L39-L42 WeakPolarHBondContact O-CB 3.42Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L42-N45 WeakPolarHBondContact O-CB 3.45Å; L42-N45 PolarHBondContact O-N 3.33Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.13Å; L42-D315 HydrophobicContact CD1-CB 3.93Å; L42-P458 HydrophobicContact CB-CB 3.73Å; L42-N459 HydrophobicContact CD1-CB 3.91Å
43	V	98.2	Very high	97.5	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-47.6	174.4	169.7	0	0	0	0	110.7	L39 R40 N45 V46 Q47 Y310 P458 D525	L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 3.35Å; R40-V43 PolarHBondContact O-N 3.26Å; V43-N45 VanDerWaalsContact C-N 3.31Å; V43-N45 PolarHBondContact O-N 3.29Å; V43-V46 PolarHBondContact O-N 2.98Å; V43-V46 VanDerWaalsContact O-N 3.17Å; V43-Q47 HydrophobicContact CG1-CG 4.29Å; V43-Q47 WeakPolarHBondContact O-CG 3.44Å; V43-Q47 PolarHBondContact O-N 2.94Å; V43-Y310 HydrophobicContact CG2-CE1 4.03Å; V43-P458 HydrophobicContact CG2-CG 3.91Å; V43-D525 HydrophobicContact CG1-CB 4.44Å; V43-D525 WeakPolarHBondContact CG1-OD2 3.41Å
44	N	98.3	Very high	97.4	Very high	84 Å²	84	63.7 Å²	63.7	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-40.6	177.6	-178.6	60.9	0	0	0	111.6	R40 A41 V46 Q47 V48	R40-N44 WeakPolarHBondContact O-CB 3.04Å; R40-N44 PolarHBondContact O-N 3.16Å; A41-N44 PolarHBondContact O-N 3.45Å; N44-V46 PolarHBondContact O-N 3.27Å; N44-Q47 PolarHBondContact O-N 3Å; N44-V48 WeakPolarHBondContact O-CB 3.49Å; N44-V48 VanDerWaalsContact O-CG2 3.29Å; N44-V48 WeakPolarHBondContact O-CG2 3.31Å; N44-V48 PolarHBondContact O-N 3.38Å
45	N	97.6	Very high	97.2	Very high	94 Å²	94	63.9 Å²	63.9	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175	-68.4	-14.8	0	0	0	111.7	A41 L42 V43 Q47 V48 L49	A41-N45 PolarHBondContact O-N 2.94Å; A41-N45 PolarHBondContact O-ND2 3.19Å; A41-N45 PolarHBondContact O-OD1 3.34Å; L42-N45 WeakPolarHBondContact O-CB 3.45Å; L42-N45 PolarHBondContact O-N 3.33Å; V43-N45 VanDerWaalsContact C-N 3.31Å; V43-N45 PolarHBondContact O-N 3.29Å; N45-Q47 PolarHBondContact O-N 3.46Å; N45-V48 PolarHBondContact O-N 2.97Å; N45-L49 WeakPolarHBondContact O-CB 3.43Å; N45-L49 PolarHBondContact O-N 2.83Å
46	V	98	Very high	97.1	Very high	14 Å²	14	63.5 Å²	63.5	9%	0.085	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-42.3	175.5	172.7	0	0	0	0	111.2	L42 V43 N44 L49 T50 L93 P458 L512 V523	L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.13Å; V43-V46 PolarHBondContact O-N 2.98Å; V43-V46 VanDerWaalsContact O-N 3.17Å; N44-V46 PolarHBondContact O-N 3.27Å; V46-L49 PolarHBondContact O-N 2.92Å; V46-T50 VanDerWaalsContact O-CB 3.29Å; V46-T50 WeakPolarHBondContact O-CB 3.33Å; V46-T50 PolarHBondContact O-N 3.49Å; V46-T50 PolarHBondContact O-OG1 3.48Å; V46-L93 HydrophobicContact CG1-CD1 4.3Å; V46-P458 HydrophobicContact CG2-CB 4Å; V46-P458 HydrophobicContact CG2-CG 4.13Å; V46-L512 HydrophobicContact CG2-CD2 4.2Å; V46-V523 HydrophobicContact CG1-CB 4.37Å; V46-V523 HydrophobicContact CG1-CG1 4.09Å; V46-V523 HydrophobicContact CG2-CG1 3.94Å
47	Q	97.4	Very high	96.9	Very high	81 Å²	81	62.5 Å²	62.5	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-42.1	179.7	-72.2	176.4	-1.1	0	0	112.3	V43 N44 N45 T50 K51 D525	V43-Q47 HydrophobicContact CG1-CG 4.29Å; V43-Q47 WeakPolarHBondContact O-CG 3.44Å; V43-Q47 PolarHBondContact O-N 2.94Å; N44-Q47 PolarHBondContact O-N 3Å; N45-Q47 PolarHBondContact O-N 3.46Å; Q47-T50 PolarHBondContact O-N 2.98Å; Q47-K51 WeakPolarHBondContact O-CG 3.34Å; Q47-K51 PolarHBondContact O-N 2.99Å; Q47-D525 PolarHBondContact NE2-OD2 3.33Å
48	V	98	Very high	96.6	Very high	81 Å²	81	60.8 Å²	60.8	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-46.4	174.9	168.8	0	0	0	0	110.3	N44 N45 K51 R52	N44-V48 WeakPolarHBondContact O-CB 3.49Å; N44-V48 VanDerWaalsContact O-CG2 3.29Å; N44-V48 WeakPolarHBondContact O-CG2 3.31Å; N44-V48 PolarHBondContact O-N 3.38Å; N45-V48 PolarHBondContact O-N 2.97Å; V48-K51 PolarHBondContact O-N 3.43Å; V48-R52 PolarHBondContact O-N 3.36Å
49	L	97	Very high	96.5	Very high	21 Å²	21	61.5 Å²	61.5	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-42.9	176.6	-178.4	63	0	0	0	111.9	N45 V46 K51 R52 V53 L93 L512	N45-L49 WeakPolarHBondContact O-CB 3.43Å; N45-L49 PolarHBondContact O-N 2.83Å; V46-L49 PolarHBondContact O-N 2.92Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 2.96Å; L49-R52 WeakPolarHBondContact O-CB 3.38Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-R52 VanDerWaalsContact O-N 3.12Å; L49-V53 HydrophobicContact CD1-CG1 4.45Å; L49-V53 PolarHBondContact O-N 3.04Å; L49-L93 HydrophobicContact CB-CD2 4.43Å; L49-L93 HydrophobicContact CD2-CD1 4.05Å; L49-L93 HydrophobicContact CD2-CD2 3.73Å; L49-L93 HydrophobicContact CD2-CG 4.47Å; L49-L93 HydrophobicContact CG-CD2 3.67Å; L49-L512 HydrophobicContact CD2-CD1 4.41Å; L49-L512 HydrophobicContact CD2-CD2 3.92Å
50	T	97.1	Very high	96.4	Very high	34 Å²	34	69.6 Å²	69.6	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-44.3	176.7	-58.4	0	0	0	0	110.9	V46 Q47 R52 V53 N54	V46-T50 VanDerWaalsContact O-CB 3.29Å; V46-T50 WeakPolarHBondContact O-CB 3.33Å; V46-T50 PolarHBondContact O-N 3.49Å; V46-T50 PolarHBondContact O-OG1 3.48Å; Q47-T50 PolarHBondContact O-N 2.98Å; T50-R52 VanDerWaalsContact C-N 3.3Å; T50-R52 PolarHBondContact O-N 2.86Å; T50-V53 WeakPolarHBondContact O-CG2 3.37Å; T50-V53 PolarHBondContact O-N 3.07Å; T50-N54 WeakPolarHBondContact O-CB 3.39Å; T50-N54 PolarHBondContact O-N 2.91Å; T50-N54 PolarHBondContact O-ND2 3.4Å; T50-N54 PolarHBondContact O-OD1 3.33Å
51	K	96.5	Very high	96.3	Very high	148 Å²	148	66 Å²	66	64%	0.643	35%	0.345	S	S	*	.	H	α-helix	trans	-59.6	-41.3	174.3	-73.7	172.8	-176.9	176.5	0	111.7	Q47 V48 L49 N54	Q47-K51 WeakPolarHBondContact O-CG 3.34Å; Q47-K51 PolarHBondContact O-N 2.99Å; V48-K51 PolarHBondContact O-N 3.43Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 2.96Å; K51-N54 PolarHBondContact O-N 3.16Å
52	R	95.7	Very high	96.2	Very high	134 Å²	134	64.8 Å²	64.8	51%	0.506	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-45.2	177.1	-176.9	-174.3	179.4	168	10.6	112.3	V48 L49 T50 N54 V55	V48-R52 PolarHBondContact O-N 3.36Å; L49-R52 WeakPolarHBondContact O-CB 3.38Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-R52 VanDerWaalsContact O-N 3.12Å; T50-R52 VanDerWaalsContact C-N 3.3Å; T50-R52 PolarHBondContact O-N 2.86Å; R52-N54 VanDerWaalsContact C-N 3.3Å; R52-N54 PolarHBondContact O-N 3.39Å; R52-V55 WeakPolarHBondContact O-CG2 3.34Å
53	V	96.2	Very high	96.1	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-72	-26.8	-179.7	-58.4	0	0	0	0	112.4	L49 T50 V55 G56 L93 H105	L49-V53 HydrophobicContact CD1-CG1 4.45Å; L49-V53 PolarHBondContact O-N 3.04Å; T50-V53 WeakPolarHBondContact O-CG2 3.37Å; T50-V53 PolarHBondContact O-N 3.07Å; V53-V55 PolarHBondContact O-N 3.48Å; V53-G56 PolarHBondContact O-N 2.98Å; V53-L93 HydrophobicContact CG1-CD2 4.28Å; V53-L93 HydrophobicContact CG2-CD2 4.04Å; V53-H105 HydrophobicContact CB-CB 4Å; V53-H105 HydrophobicContact CG1-CB 4.31Å
54	N	94.8	Very high	96	Very high	59 Å²	59	73.9 Å²	73.9	32%	0.316	37%	0.372	S	S	.	.	H	α-helix	trans	-66.6	-18.1	-178.6	-76.2	-5.2	0	0	0	113.9	T50 K51 R52 G56 R74	T50-N54 WeakPolarHBondContact O-CB 3.39Å; T50-N54 PolarHBondContact O-N 2.91Å; T50-N54 PolarHBondContact O-ND2 3.4Å; T50-N54 PolarHBondContact O-OD1 3.33Å; K51-N54 PolarHBondContact O-N 3.16Å; R52-N54 VanDerWaalsContact C-N 3.3Å; R52-N54 PolarHBondContact O-N 3.39Å; N54-G56 VanDerWaalsContact C-N 3.26Å; N54-G56 PolarHBondContact O-N 3.49Å; N54-R74 WeakPolarHBondContact O-CD 3.5Å; N54-R74 PolarHBondContact O-NE 2.96Å; N54-R74 PolarHBondContact OD1-NH2 3.49Å
55	V	93.3	Very high	96	Very high	81 Å²	81	70.5 Å²	70.5	49%	0.491	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.5	177.1	-54.3	0	0	0	0	113.4	R52 V53	R52-V55 WeakPolarHBondContact O-CG2 3.34Å; V53-V55 PolarHBondContact O-N 3.48Å
56	G	94.2	Very high	95.9	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.01	35%	0.35	C	S	.	.			trans	84.1	-136.6	-176.6	0	0	0	0	0	112.3	V53 N54 H105 D127	V53-G56 PolarHBondContact O-N 2.98Å; N54-G56 VanDerWaalsContact C-N 3.26Å; N54-G56 PolarHBondContact O-N 3.49Å; G56-H105 PolarHBondContact O-ND1 3.4Å; G56-D127 WeakPolarHBondContact CA-OD2 3.31Å
57	G	93.7	Very high	95.8	Very high	11 Å²	11	78.1 Å²	78.1	11%	0.113	38%	0.378	C	S	.	.	S	Bend	trans	-69.9	-170.7	177.8	0	0	0	0	0	113.9	T129	G57-T129 WeakPolarHBondContact CA-O 3.4Å; G57-T129 PolarHBondContact N-OG1 2.87Å
58	D	93.1	Very high	95.7	Very high	105 Å²	105	80.9 Å²	80.9	56%	0.561	39%	0.389	S	S	*	.			trans	-66	161.9	173.1	65.4	48.2	0	0	0	112.2	K60 A61 V62	D58-K60 PolarHBondContact O-N 3.45Å; D58-K60 VanDerWaalsContact O-N 3.12Å; D58-K60 WeakPolarHBondContact OD1-CA 3.42Å; D58-K60 WeakPolarHBondContact OD1-CB 3.47Å; D58-K60 PolarHBondContact OD1-N 3.41Å; D58-K60 VanDerWaalsContact OD1-N 3.12Å; D58-A61 WeakPolarHBondContact O-CB 3.47Å; D58-A61 PolarHBondContact O-N 3.06Å; D58-A61 WeakPolarHBondContact OD1-CB 3.44Å; D58-A61 PolarHBondContact OD1-N 2.83Å; D58-V62 PolarHBondContact O-N 2.91Å
59	D	94.3	Very high	95.5	Very high	139 Å²	139	80.3 Å²	80.3	74%	0.743	40%	0.399	S	S	*	.	H	α-helix	trans	-55.7	-34.2	-176.8	-66.2	-26.1	0	0	0	112.6	V62 E63	D59-V62 PolarHBondContact O-N 3.41Å; D59-E63 VanDerWaalsContact O-CB 3.29Å; D59-E63 WeakPolarHBondContact O-CB 3.23Å; D59-E63 PolarHBondContact O-N 3.33Å
60	K	95.9	Very high	95.5	Very high	169 Å²	169	80.1 Å²	80.1	74%	0.735	40%	0.397	S	S	*	.	H	α-helix	trans	-68.8	-40.6	178.1	-64.8	-179.2	179.4	177.2	0	111.2	D58 K64	D58-K60 PolarHBondContact O-N 3.45Å; D58-K60 VanDerWaalsContact O-N 3.12Å; D58-K60 WeakPolarHBondContact OD1-CA 3.42Å; D58-K60 WeakPolarHBondContact OD1-CB 3.47Å; D58-K60 PolarHBondContact OD1-N 3.41Å; D58-K60 VanDerWaalsContact OD1-N 3.12Å; K60-K64 VanDerWaalsContact O-CB 3.24Å; K60-K64 WeakPolarHBondContact O-CB 3.33Å; K60-K64 PolarHBondContact O-N 3.12Å
61	A	96.2	Very high	95.5	Very high	25 Å²	25	80.2 Å²	80.2	21%	0.207	40%	0.396	C	S	.	.	H	α-helix	trans	-66.6	-42.5	176.4	0	0	0	0	0	111.2	D58 K64 H65 T129	D58-A61 WeakPolarHBondContact O-CB 3.47Å; D58-A61 PolarHBondContact O-N 3.06Å; D58-A61 WeakPolarHBondContact OD1-CB 3.44Å; D58-A61 PolarHBondContact OD1-N 2.83Å; A61-K64 PolarHBondContact O-N 3.19Å; A61-H65 WeakPolarHBondContact O-CB 3.26Å; A61-H65 PolarHBondContact O-N 3.36Å; A61-T129 WeakPolarHBondContact CB-O 3.38Å
62	V	96.5	Very high	95.6	Very high	24 Å²	24	74.4 Å²	74.4	15%	0.145	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-48.5	174.8	172.3	0	0	0	0	110.9	D58 D59 K64 H65 R66 L72 T129	D58-V62 PolarHBondContact O-N 2.91Å; D59-V62 PolarHBondContact O-N 3.41Å; V62-K64 PolarHBondContact O-N 3.46Å; V62-H65 WeakPolarHBondContact O-CB 3.46Å; V62-H65 PolarHBondContact O-N 3.13Å; V62-R66 WeakPolarHBondContact O-CG 3.2Å; V62-R66 PolarHBondContact O-N 3.4Å; V62-L72 HydrophobicContact CG1-CD1 4.27Å; V62-L72 HydrophobicContact CG1-CD2 4.26Å; V62-T129 HydrophobicContact CG2-CG2 4.22Å
63	E	96.9	Very high	95.7	Very high	102 Å²	102	68.2 Å²	68.2	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-44.6	177.6	-169.3	-168	167.9	0	0	111.4	D59 H65 R66 K67	D59-E63 VanDerWaalsContact O-CB 3.29Å; D59-E63 WeakPolarHBondContact O-CB 3.23Å; D59-E63 PolarHBondContact O-N 3.33Å; E63-H65 VanDerWaalsContact C-N 3.31Å; E63-H65 PolarHBondContact O-N 3.47Å; E63-R66 PolarHBondContact O-N 3.44Å; E63-K67 HydrophobicContact CG-CD 4.44Å; E63-K67 WeakPolarHBondContact O-CB 3.48Å; E63-K67 WeakPolarHBondContact O-CG 3.39Å; E63-K67 PolarHBondContact O-N 2.91Å; E63-K67 WeakPolarHBondContact OE1-CE 3.31Å; E63-K67 IonicContact OE1-NZ 2.87Å; E63-K67 PolarHBondContact OE1-NZ 3Å
64	K	96.3	Very high	95.8	Very high	140 Å²	140	69.9 Å²	69.9	61%	0.609	36%	0.355	S	S	*	.	H	α-helix	trans	-61.5	-38	176	-176.6	178.4	-179.8	178.7	0	112.2	K60 A61 V62	K60-K64 VanDerWaalsContact O-CB 3.24Å; K60-K64 WeakPolarHBondContact O-CB 3.33Å; K60-K64 PolarHBondContact O-N 3.12Å; A61-K64 PolarHBondContact O-N 3.19Å; V62-K64 PolarHBondContact O-N 3.46Å
65	H	96.7	Very high	96	Very high	12 Å²	12	69.9 Å²	69.9	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-46.6	175.9	-171.8	83.3	0	0	0	111.2	A61 V62 E63 K67 K68 K70 L71 T129 D162	A61-H65 WeakPolarHBondContact O-CB 3.26Å; A61-H65 PolarHBondContact O-N 3.36Å; V62-H65 WeakPolarHBondContact O-CB 3.46Å; V62-H65 PolarHBondContact O-N 3.13Å; E63-H65 VanDerWaalsContact C-N 3.31Å; E63-H65 PolarHBondContact O-N 3.47Å; H65-K67 PolarHBondContact O-N 3.38Å; H65-K68 WeakPolarHBondContact O-CB 3.46Å; H65-K68 PolarHBondContact O-N 3.02Å; H65-K70 WeakPolarHBondContact NE2-CB 3.1Å; H65-L71 PolarHBondContact NE2-O 3.44Å; H65-T129 HydrophobicContact CB-CG2 3.77Å; H65-D162 IonicContact CE1-OD2 2.65Å
66	R	96.2	Very high	96.2	Very high	113 Å²	113	66 Å²	66	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-37.3	177.3	-69	-167.4	-175.2	-74.1	9.4	113.2	V62 E63 K68 G69 E75	V62-R66 WeakPolarHBondContact O-CG 3.2Å; V62-R66 PolarHBondContact O-N 3.4Å; E63-R66 PolarHBondContact O-N 3.44Å; R66-K68 PolarHBondContact O-N 3.34Å; R66-K68 VanDerWaalsContact O-N 3.12Å; R66-G69 PolarHBondContact O-N 2.91Å; R66-E75 IonicContact CZ-OE1 2.69Å; R66-E75 VanDerWaalsContact CZ-OE1 3.3Å; R66-E75 IonicContact CZ-OE2 2.76Å; R66-E75 IonicContact NH1-OE1 3.19Å; R66-E75 PolarHBondContact NH1-OE1 3.21Å; R66-E75 IonicContact NH1-OE2 2.71Å; R66-E75 PolarHBondContact NH1-OE2 2.85Å; R66-E75 IonicContact NH2-OE1 3.84Å; R66-E75 PolarHBondContact NH2-OE1 3.3Å; R66-E75 IonicContact NH2-OE2 3.78Å
67	K	96.4	Very high	96.4	Very high	156 Å²	156	66.2 Å²	66.2	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-58.9	-22.3	175	-80.4	177.4	-179.2	166.6	0	113.5	E63 H65 G69	E63-K67 HydrophobicContact CG-CD 4.44Å; E63-K67 WeakPolarHBondContact O-CB 3.48Å; E63-K67 WeakPolarHBondContact O-CG 3.39Å; E63-K67 PolarHBondContact O-N 2.91Å; E63-K67 WeakPolarHBondContact OE1-CE 3.31Å; E63-K67 IonicContact OE1-NZ 2.87Å; E63-K67 PolarHBondContact OE1-NZ 3Å; H65-K67 PolarHBondContact O-N 3.38Å; K67-G69 VanDerWaalsContact C-N 3.25Å; K67-G69 PolarHBondContact O-N 3.2Å
68	K	94.1	Very high	96.6	Very high	139 Å²	139	71.2 Å²	71.2	60%	0.604	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	4	173.5	-62.6	176.2	179.3	-174.1	0	113.4	H65 R66 K70	H65-K68 WeakPolarHBondContact O-CB 3.46Å; H65-K68 PolarHBondContact O-N 3.02Å; R66-K68 PolarHBondContact O-N 3.34Å; R66-K68 VanDerWaalsContact O-N 3.12Å; K68-K70 VanDerWaalsContact C-N 3.29Å; K68-K70 HydrophobicContact CB-CD 4.03Å; K68-K70 HydrophobicContact CB-CG 3.96Å; K68-K70 HydrophobicContact CD-CD 4.34Å; K68-K70 PolarHBondContact O-N 2.96Å
69	G	94.4	Very high	96.9	Very high	68 Å²	68	70.4 Å²	70.4	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	16.8	-176.6	0	0	0	0	0	114.3	R66 K67	R66-G69 PolarHBondContact O-N 2.91Å; K67-G69 VanDerWaalsContact C-N 3.25Å; K67-G69 PolarHBondContact O-N 3.2Å
70	K	97.2	Very high	97.1	Very high	18 Å²	18	63.8 Å²	63.8	8%	0.078	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-96.4	145	-174.3	-59.4	-178.4	65.8	168.4	0	112	H65 K68 D162 L203 E270	H65-K70 WeakPolarHBondContact NE2-CB 3.1Å; K68-K70 VanDerWaalsContact C-N 3.29Å; K68-K70 HydrophobicContact CB-CD 4.03Å; K68-K70 HydrophobicContact CB-CG 3.96Å; K68-K70 HydrophobicContact CD-CD 4.34Å; K68-K70 PolarHBondContact O-N 2.96Å; K70-D162 VanDerWaalsContact CE-OD2 3.29Å; K70-D162 WeakPolarHBondContact CE-OD2 3.12Å; K70-D162 IonicContact NZ-OD1 2.7Å; K70-D162 PolarHBondContact NZ-OD1 3.48Å; K70-D162 IonicContact NZ-OD2 3.62Å; K70-D162 PolarHBondContact NZ-OD2 3.24Å; K70-L203 WeakPolarHBondContact CE-O 3.27Å; K70-L203 PolarHBondContact NZ-O 3.38Å; K70-E270 WeakPolarHBondContact CB-OE1 3.4Å; K70-E270 WeakPolarHBondContact CE-OE1 3.41Å; K70-E270 WeakPolarHBondContact CG-OE1 3.46Å
71	L	97.7	Very high	97.2	Very high	35 Å²	35	56.5 Å²	56.5	18%	0.183	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-81	148.8	172.3	-57	172.6	0	0	0	110	H65 E75 R76 L79 E270 K271 L274	H65-L71 PolarHBondContact NE2-O 3.44Å; L71-E75 HydrophobicContact CB-CB 4.15Å; L71-R76 HydrophobicContact CB-CG 3.77Å; L71-R76 HydrophobicContact CD1-CG 4.4Å; L71-R76 PolarHBondContact O-NE 3.46Å; L71-R76 VanDerWaalsContact O-NE 3.11Å; L71-L79 HydrophobicContact CD1-CD1 3.47Å; L71-L79 VanDerWaalsContact CD1-CD1 3.47Å; L71-E270 WeakPolarHBondContact CA-OE2 3.37Å; L71-E270 WeakPolarHBondContact CB-OE2 3.45Å; L71-E270 HydrophobicContact CD1-CB 4.21Å; L71-E270 HydrophobicContact CG-CB 4.5Å; L71-E270 PolarHBondContact N-OE2 3.38Å; L71-K271 HydrophobicContact CD1-CG 4.47Å; L71-L274 HydrophobicContact CD1-CD1 4.46Å
72	L	97.9	Very high	97.3	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.136	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.2	156	170.5	-61.5	179.2	0	0	0	110.5	V62 R74 E75 R76 T129	V62-L72 HydrophobicContact CG1-CD1 4.27Å; V62-L72 HydrophobicContact CG1-CD2 4.26Å; L72-R74 VanDerWaalsContact C-N 3.28Å; L72-R74 PolarHBondContact O-N 3.49Å; L72-E75 HydrophobicContact CB-CG 4.09Å; L72-E75 PolarHBondContact N-OE2 3.03Å; L72-E75 WeakPolarHBondContact O-CA 3.33Å; L72-E75 WeakPolarHBondContact O-CB 3.42Å; L72-E75 PolarHBondContact O-N 3.38Å; L72-R76 WeakPolarHBondContact O-CG 3.14Å; L72-R76 PolarHBondContact O-N 3.46Å; L72-T129 HydrophobicContact CD2-CG2 3.73Å
73	V	98.4	Very high	97.3	Very high	4 Å²	4	66 Å²	66	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-54.6	-41.6	-177	65.5	0	0	0	0	113.2	R76 I77 V110 N126 D127	V73-R76 WeakPolarHBondContact O-CB 3.39Å; V73-R76 PolarHBondContact O-N 2.95Å; V73-I77 HydrophobicContact CG2-CD1 4.32Å; V73-I77 WeakPolarHBondContact O-CG1 3.26Å; V73-I77 PolarHBondContact O-N 2.87Å; V73-V110 HydrophobicContact CG1-CB 4.4Å; V73-V110 HydrophobicContact CG1-CG2 3.63Å; V73-V110 HydrophobicContact CG2-CB 4.21Å; V73-V110 HydrophobicContact CG2-CG2 4.32Å; V73-N126 WeakPolarHBondContact CG2-O 3.46Å; V73-D127 HydrophobicContact CG1-CB 3.93Å
74	R	98	Very high	97.2	Very high	41 Å²	41	65.2 Å²	65.2	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-71.9	-30	178.3	-64.5	176.8	-178.7	-77.5	-2.9	112.8	N54 L72 N78 E89 S106 V110	N54-R74 WeakPolarHBondContact O-CD 3.5Å; N54-R74 PolarHBondContact O-NE 2.96Å; N54-R74 PolarHBondContact OD1-NH2 3.49Å; L72-R74 VanDerWaalsContact C-N 3.28Å; L72-R74 PolarHBondContact O-N 3.49Å; R74-N78 WeakPolarHBondContact O-CB 3.36Å; R74-N78 PolarHBondContact O-N 3.43Å; R74-N78 PolarHBondContact O-ND2 3.1Å; R74-E89 IonicContact CZ-OE1 3.29Å; R74-E89 IonicContact CZ-OE2 3.68Å; R74-E89 IonicContact NH1-OE1 2.79Å; R74-E89 PolarHBondContact NH1-OE1 2.84Å; R74-E89 VanDerWaalsContact NH1-OE1 3.1Å; R74-E89 IonicContact NH1-OE2 2.8Å; R74-E89 PolarHBondContact NH1-OE2 2.66Å; R74-E89 IonicContact NH2-OE1 3.57Å; R74-E89 PolarHBondContact NH2-OE1 3.28Å; R74-E89 IonicContact NH2-OE2 2.87Å; R74-S106 PolarHBondContact NH2-OG 2.88Å; R74-V110 HydrophobicContact CG-CG2 4.33Å
75	E	98	Very high	97.1	Very high	58 Å²	58	59.7 Å²	59.7	27%	0.271	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-41.5	172.8	-63	171.2	164.8	0	0	110.5	R66 L71 L72 N78 L79	R66-E75 IonicContact CZ-OE1 2.69Å; R66-E75 VanDerWaalsContact CZ-OE1 3.3Å; R66-E75 IonicContact CZ-OE2 2.76Å; R66-E75 IonicContact NH1-OE1 3.19Å; R66-E75 PolarHBondContact NH1-OE1 3.21Å; R66-E75 IonicContact NH1-OE2 2.71Å; R66-E75 PolarHBondContact NH1-OE2 2.85Å; R66-E75 IonicContact NH2-OE1 3.84Å; R66-E75 PolarHBondContact NH2-OE1 3.3Å; R66-E75 IonicContact NH2-OE2 3.78Å; L71-E75 HydrophobicContact CB-CB 4.15Å; L72-E75 HydrophobicContact CB-CG 4.09Å; L72-E75 PolarHBondContact N-OE2 3.03Å; L72-E75 WeakPolarHBondContact O-CA 3.33Å; L72-E75 WeakPolarHBondContact O-CB 3.42Å; L72-E75 PolarHBondContact O-N 3.38Å; E75-N78 PolarHBondContact O-N 3.1Å; E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 3.12Å
76	R	98.5	Very high	97.1	Very high	1 Å²	1	62 Å²	62	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-46.9	174.2	-64.6	160.6	170	171.6	2.8	111.4	L71 L72 V73 L79 L80 L160 D162 L203 E270 L274	L71-R76 HydrophobicContact CB-CG 3.77Å; L71-R76 HydrophobicContact CD1-CG 4.4Å; L71-R76 PolarHBondContact O-NE 3.46Å; L71-R76 VanDerWaalsContact O-NE 3.11Å; L72-R76 WeakPolarHBondContact O-CG 3.14Å; L72-R76 PolarHBondContact O-N 3.46Å; V73-R76 WeakPolarHBondContact O-CB 3.39Å; V73-R76 PolarHBondContact O-N 2.95Å; R76-L79 PolarHBondContact O-N 3.43Å; R76-L80 WeakPolarHBondContact O-CB 3.36Å; R76-L80 PolarHBondContact O-N 2.96Å; R76-L160 HydrophobicContact CB-CD1 3.98Å; R76-D162 IonicContact CZ-OD2 3.04Å; R76-D162 IonicContact NH1-OD2 3.3Å; R76-D162 PolarHBondContact NH1-OD2 2.95Å; R76-D162 IonicContact NH2-OD2 2.97Å; R76-D162 PolarHBondContact NH2-OD2 2.83Å; R76-L203 VanDerWaalsContact CD-CD1 3.49Å; R76-L203 HydrophobicContact CG-CD1 4.27Å; R76-E270 IonicContact CZ-OE1 3.81Å; R76-E270 IonicContact CZ-OE2 3.67Å; R76-E270 IonicContact NE-OE1 2.79Å; R76-E270 IonicContact NE-OE2 3.22Å; R76-E270 PolarHBondContact NE-OE2 3.01Å; R76-E270 IonicContact NH2-OE1 2.87Å; R76-E270 PolarHBondContact NH2-OE1 3.19Å; R76-E270 IonicContact NH2-OE2 2.8Å; R76-L274 HydrophobicContact CB-CD1 4.05Å; R76-L274 HydrophobicContact CB-CD2 4.35Å; R76-L274 HydrophobicContact CG-CD1 4.36Å
77	I	98.5	Very high	97.2	Very high	4 Å²	4	59 Å²	59	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-49.2	176.1	-67.4	167.7	0	0	0	110.4	V73 L79 L80 L81 F87 V110 I123 L160	V73-I77 HydrophobicContact CG2-CD1 4.32Å; V73-I77 WeakPolarHBondContact O-CG1 3.26Å; V73-I77 PolarHBondContact O-N 2.87Å; I77-L79 VanDerWaalsContact C-N 3.28Å; I77-L79 PolarHBondContact O-N 3.13Å; I77-L80 WeakPolarHBondContact O-CB 3.26Å; I77-L80 PolarHBondContact O-N 3.1Å; I77-L80 VanDerWaalsContact O-N 3.08Å; I77-L81 HydrophobicContact CG2-CD1 3.74Å; I77-L81 HydrophobicContact CG2-CG 4.14Å; I77-L81 VanDerWaalsContact O-CG 3.27Å; I77-L81 WeakPolarHBondContact O-CG 3.47Å; I77-L81 PolarHBondContact O-N 3.19Å; I77-F87 HydrophobicContact CD1-CZ 4.28Å; I77-F87 HydrophobicContact CG2-CD2 4.24Å; I77-F87 HydrophobicContact CG2-CE1 4.29Å; I77-F87 HydrophobicContact CG2-CE2 3.97Å; I77-F87 HydrophobicContact CG2-CZ 3.99Å; I77-V110 HydrophobicContact CD1-CB 3.96Å; I77-V110 HydrophobicContact CD1-CG1 3.52Å; I77-I123 HydrophobicContact CD1-CG2 4.44Å; I77-I123 HydrophobicContact CG1-CG2 3.98Å; I77-I123 HydrophobicContact CG2-CD1 4.42Å; I77-L160 HydrophobicContact CG1-CD1 3.98Å
78	N	97.9	Very high	97.3	Very high	117 Å²	117	52.3 Å²	52.3	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-60.2	-34.5	180	-73.8	-18.6	0	0	0	113.7	R74 E75	R74-N78 WeakPolarHBondContact O-CB 3.36Å; R74-N78 PolarHBondContact O-N 3.43Å; R74-N78 PolarHBondContact O-ND2 3.1Å; E75-N78 PolarHBondContact O-N 3.1Å
79	L	98.1	Very high	97.5	Very high	87 Å²	87	47.9 Å²	47.9	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-77.4	-29.3	175.6	-71	179.2	0	0	0	113.2	L71 E75 R76 I77 K271 L274	L71-L79 HydrophobicContact CD1-CD1 3.47Å; L71-L79 VanDerWaalsContact CD1-CD1 3.47Å; E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 3.12Å; R76-L79 PolarHBondContact O-N 3.43Å; I77-L79 VanDerWaalsContact C-N 3.28Å; I77-L79 PolarHBondContact O-N 3.13Å; L79-K271 HydrophobicContact CD1-CG 4.31Å; L79-L274 HydrophobicContact CB-CD1 3.85Å; L79-L274 HydrophobicContact CD1-CD1 4.25Å
80	L	98.5	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.8	-40	178.1	-178.3	63.5	0	0	0	111.7	R76 I77 I116 I123 V158 L160 L274 A277 R278	R76-L80 WeakPolarHBondContact O-CB 3.36Å; R76-L80 PolarHBondContact O-N 2.96Å; I77-L80 WeakPolarHBondContact O-CB 3.26Å; I77-L80 PolarHBondContact O-N 3.1Å; I77-L80 VanDerWaalsContact O-N 3.08Å; L80-I116 HydrophobicContact CD1-CD1 4.05Å; L80-I116 HydrophobicContact CD2-CD1 3.7Å; L80-I116 HydrophobicContact CG-CD1 3.62Å; L80-I116 HydrophobicContact CG-CG1 4.13Å; L80-I123 HydrophobicContact CD2-CD1 4.03Å; L80-I123 HydrophobicContact CD2-CG1 4.21Å; L80-I123 HydrophobicContact CD2-CG2 4.28Å; L80-V158 HydrophobicContact CD2-CB 4.4Å; L80-V158 HydrophobicContact CD2-CG1 3.88Å; L80-L160 HydrophobicContact CD2-CD2 4.31Å; L80-L274 HydrophobicContact CB-CD2 4.29Å; L80-L274 HydrophobicContact CD1-CD2 4.39Å; L80-A277 HydrophobicContact CD1-CB 3.98Å; L80-R278 HydrophobicContact CD1-CG 3.88Å; L80-R278 WeakPolarHBondContact O-CG 3.47Å; L80-R278 PolarHBondContact O-NH1 3.07Å
81	L	98.6	Very high	97.8	Very high	17 Å²	17	44 Å²	44	9%	0.089	24%	0.241	C	C	.	.	S	Bend	trans	-68.4	153.4	-176.2	-69.1	174.6	0	0	0	113.1	I77 F87 Q115 I116 I123 R278	I77-L81 HydrophobicContact CG2-CD1 3.74Å; I77-L81 HydrophobicContact CG2-CG 4.14Å; I77-L81 VanDerWaalsContact O-CG 3.27Å; I77-L81 WeakPolarHBondContact O-CG 3.47Å; I77-L81 PolarHBondContact O-N 3.19Å; L81-F87 HydrophobicContact CD1-CB 3.85Å; L81-F87 HydrophobicContact CD1-CD2 3.88Å; L81-F87 HydrophobicContact CD1-CG 4.03Å; L81-F87 HydrophobicContact CD2-CD2 4.45Å; L81-Q115 CarbonylContact C-O 3.58Å; L81-Q115 WeakPolarHBondContact CA-O 3.49Å; L81-I116 HydrophobicContact CD2-CG1 4.48Å; L81-I123 HydrophobicContact CD2-CD1 3.53Å; L81-I123 HydrophobicContact CG-CD1 4.24Å; L81-R278 PolarHBondContact O-NH1 2.97Å
82	D	98.2	Very high	97.8	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.16	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65	137.1	169.5	-67.5	-23	0	0	0	110.6	G84 S85 Q115 Y117 G118 R278	D82-G84 PolarHBondContact O-N 3.44Å; D82-G84 VanDerWaalsContact O-N 3.16Å; D82-S85 VanDerWaalsContact O-CB 3.31Å; D82-S85 WeakPolarHBondContact O-CB 3.35Å; D82-S85 PolarHBondContact O-N 3.36Å; D82-S85 PolarHBondContact O-OG 3.08Å; D82-Q115 HydrophobicContact CB-CB 4.4Å; D82-Q115 PolarHBondContact N-O 3.41Å; D82-Y117 VanDerWaalsContact CG-N 3.3Å; D82-Y117 PolarHBondContact OD1-N 2.98Å; D82-Y117 PolarHBondContact OD2-N 3.33Å; D82-G118 PolarHBondContact OD2-N 3.28Å; D82-R278 IonicContact OD1-CZ 2.74Å; D82-R278 VanDerWaalsContact OD1-CZ 3.28Å; D82-R278 IonicContact OD1-NH1 3.17Å; D82-R278 PolarHBondContact OD1-NH1 3.36Å; D82-R278 IonicContact OD1-NH2 3.97Å; D82-R278 PolarHBondContact OD1-NH2 3.29Å
83	K	96.9	Very high	97.8	Very high	219 Å²	219	42.1 Å²	42.1	95%	0.952	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	121	-175.7	-173.9	177.6	179.9	-179.9	0	110.8	S85	K83-S85 VanDerWaalsContact C-N 3.27Å; K83-S85 PolarHBondContact O-N 3.31Å
84	G	94.6	Very high	97.8	Very high	85 Å²	85	41.9 Å²	41.9	88%	0.876	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	-1	179.5	0	0	0	0	0	114.7	D82	D82-G84 PolarHBondContact O-N 3.44Å; D82-G84 VanDerWaalsContact O-N 3.16Å
85	S	95.2	Very high	97.8	Very high	23 Å²	23	40 Å²	40	16%	0.161	22%	0.224	C	C	.	.			trans	-69.3	147.7	173.5	68.8	0	0	0	0	111.4	D82 K83	D82-S85 VanDerWaalsContact O-CB 3.31Å; D82-S85 WeakPolarHBondContact O-CB 3.35Å; D82-S85 PolarHBondContact O-N 3.36Å; D82-S85 PolarHBondContact O-OG 3.08Å; K83-S85 VanDerWaalsContact C-N 3.27Å; K83-S85 PolarHBondContact O-N 3.31Å
86	P	95.8	Very high	97.8	Very high	60 Å²	60	39.4 Å²	39.4	39%	0.39	22%	0.221	S	C	.	.			trans	-71	150.3	175.2	29.9	-34.3	0	0	0	111.1	L535	P86-L535 HydrophobicContact CB-CD1 4.07Å; P86-L535 HydrophobicContact CB-CD2 3.94Å; P86-L535 HydrophobicContact CG-CD2 3.6Å
87	F	98	Very high	97.6	Very high	52 Å²	52	47.2 Å²	47.2	23%	0.228	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.8	168.4	-176	-117.2	0	0	0	109.4	I77 L81 E89 G112 I113 I123	I77-F87 HydrophobicContact CD1-CZ 4.28Å; I77-F87 HydrophobicContact CG2-CD2 4.24Å; I77-F87 HydrophobicContact CG2-CE1 4.29Å; I77-F87 HydrophobicContact CG2-CE2 3.97Å; I77-F87 HydrophobicContact CG2-CZ 3.99Å; L81-F87 HydrophobicContact CD1-CB 3.85Å; L81-F87 HydrophobicContact CD1-CD2 3.88Å; L81-F87 HydrophobicContact CD1-CG 4.03Å; L81-F87 HydrophobicContact CD2-CD2 4.45Å; F87-E89 HydrophobicContact CD1-CB 3.98Å; F87-E89 HydrophobicContact CE1-CB 3.69Å; F87-E89 HydrophobicContact CE1-CG 4.02Å; F87-E89 PolarHBondContact O-N 2.74Å; F87-G112 VanDerWaalsContact CE2-C 3.46Å; F87-I113 WeakPolarHBondContact CA-O 3.36Å; F87-I113 WeakPolarHBondContact CD2-O 3.09Å; F87-I123 HydrophobicContact CE2-CD1 4.24Å
88	L	98.2	Very high	97.5	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	91	172.4	179.1	61.9	0	0	0	108.3	L90 G112 I113 F453 F455 V532 L535	L88-L90 HydrophobicContact CG-CD2 4.26Å; L88-G112 CarbonylContact O-C 3.43Å; L88-G112 WeakPolarHBondContact O-CA 3.33Å; L88-I113 PolarHBondContact N-O 2.63Å; L88-I113 PolarHBondContact O-N 3.44Å; L88-F453 HydrophobicContact CD2-CE1 4.32Å; L88-F455 HydrophobicContact CD1-CZ 4.23Å; L88-F455 HydrophobicContact CD2-CZ 4.4Å; L88-V532 HydrophobicContact CD1-CG1 4.06Å; L88-L535 HydrophobicContact CD2-CB 4.32Å
89	E	98.4	Very high	97.4	Very high	46 Å²	46	45 Å²	45	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.1	175	-171.4	174.5	163	0	0	111.5	R74 F87 S92	R74-E89 IonicContact CZ-OE1 3.29Å; R74-E89 IonicContact CZ-OE2 3.68Å; R74-E89 IonicContact NH1-OE1 2.79Å; R74-E89 PolarHBondContact NH1-OE1 2.84Å; R74-E89 VanDerWaalsContact NH1-OE1 3.1Å; R74-E89 IonicContact NH1-OE2 2.8Å; R74-E89 PolarHBondContact NH1-OE2 2.66Å; R74-E89 IonicContact NH2-OE1 3.57Å; R74-E89 PolarHBondContact NH2-OE1 3.28Å; R74-E89 IonicContact NH2-OE2 2.87Å; F87-E89 HydrophobicContact CD1-CB 3.98Å; F87-E89 HydrophobicContact CE1-CB 3.69Å; F87-E89 HydrophobicContact CE1-CG 4.02Å; F87-E89 PolarHBondContact O-N 2.74Å; E89-S92 WeakPolarHBondContact OE1-CB 3.4Å
90	L	98.7	Very high	97.1	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.2	-176.4	-56.4	171.8	0	0	0	111.1	L88 S92 T111 M122 K142 I149 F453 F455 D521	L88-L90 HydrophobicContact CG-CD2 4.26Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 3.43Å; L90-T111 PolarHBondContact N-O 3.49Å; L90-T111 PolarHBondContact O-OG1 2.86Å; L90-M122 HydrophobicContact CD1-CE 3.83Å; L90-M122 HydrophobicContact CD1-SD 4.38Å; L90-K142 WeakPolarHBondContact O-CE 3.26Å; L90-K142 PolarHBondContact O-NZ 3.35Å; L90-I149 HydrophobicContact CD1-CD1 3.64Å; L90-F453 HydrophobicContact CD2-CD1 4.27Å; L90-F453 HydrophobicContact CD2-CE1 4.25Å; L90-F455 HydrophobicContact CD2-CE1 4.49Å; L90-D521 WeakPolarHBondContact CA-O 3.45Å; L90-D521 HydrophobicContact CD2-CB 4.24Å
91	S	98.6	Very high	96.7	Very high	2 Å²	2	56 Å²	56	1%	0.014	30%	0.298	C	S	.	.			trans	48.2	49	174.1	-50.1	0	0	0	0	112.9	L93 A94 K142 D520 D521	S91-L93 PolarHBondContact O-N 2.91Å; S91-L93 VanDerWaalsContact O-N 3.16Å; S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.39Å; S91-K142 PolarHBondContact O-NZ 2.86Å; S91-D520 PolarHBondContact OG-O 3.33Å; S91-D521 PolarHBondContact N-O 2.79Å
92	S	98.1	Very high	96.4	Very high	18 Å²	18	57.3 Å²	57.3	13%	0.126	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.5	-179.6	58.1	0	0	0	0	113.2	E89 L90 S106	E89-S92 WeakPolarHBondContact OE1-CB 3.4Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 3.43Å; S92-S106 WeakPolarHBondContact O-CA 3.41Å; S92-S106 WeakPolarHBondContact O-CB 3.24Å; S92-S106 PolarHBondContact O-OG 3.48Å
93	L	98.5	Very high	96.2	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	8.8	179.9	-61.9	-175.4	0	0	0	114.3	V46 L49 V53 S91 G95 H96 L512 T515 A516	V46-L93 HydrophobicContact CG1-CD1 4.3Å; L49-L93 HydrophobicContact CB-CD2 4.43Å; L49-L93 HydrophobicContact CD2-CD1 4.05Å; L49-L93 HydrophobicContact CD2-CD2 3.73Å; L49-L93 HydrophobicContact CD2-CG 4.47Å; L49-L93 HydrophobicContact CG-CD2 3.67Å; V53-L93 HydrophobicContact CG1-CD2 4.28Å; V53-L93 HydrophobicContact CG2-CD2 4.04Å; S91-L93 PolarHBondContact O-N 2.91Å; S91-L93 VanDerWaalsContact O-N 3.16Å; L93-G95 PolarHBondContact O-N 3.49Å; L93-H96 VanDerWaalsContact O-CB 3.26Å; L93-H96 WeakPolarHBondContact O-CB 3.31Å; L93-H96 PolarHBondContact O-N 3.14Å; L93-H96 VanDerWaalsContact O-N 3.15Å; L93-L512 HydrophobicContact CD1-CD2 3.58Å; L93-T515 HydrophobicContact CB-CG2 3.7Å; L93-T515 HydrophobicContact CD1-CG2 4.06Å; L93-A516 WeakPolarHBondContact O-CA 3.06Å
94	A	98.7	Very high	96.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	135.6	173.4	0	0	0	0	0	111.5	S91 H96 S106 G107 I138 K142 L518	S91-A94 WeakPolarHBondContact O-CB 3.47Å; S91-A94 PolarHBondContact O-N 3.39Å; A94-H96 VanDerWaalsContact C-N 3.27Å; A94-H96 PolarHBondContact O-N 2.84Å; A94-S106 CarbonylContact O-C 3.58Å; A94-S106 PolarHBondContact O-N 3.12Å; A94-G107 PolarHBondContact O-N 3.34Å; A94-I138 HydrophobicContact CB-CG1 4.28Å; A94-K142 HydrophobicContact CB-CD 3.75Å; A94-L518 HydrophobicContact CB-CD1 3.47Å; A94-L518 VanDerWaalsContact CB-CD1 3.47Å
95	G	97.6	Very high	96.3	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1	178.8	0	0	0	0	0	115.8	L93 E97 L98 A516	L93-G95 PolarHBondContact O-N 3.49Å; G95-E97 PolarHBondContact O-N 2.92Å; G95-L98 PolarHBondContact O-N 3.39Å; G95-A516 PolarHBondContact N-O 2.92Å
96	H	97.5	Very high	96.5	Very high	44 Å²	44	47.4 Å²	47.4	20%	0.204	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	121.5	175	177.7	60.6	0	0	0	111.2	L93 A94 L98 A516	L93-H96 VanDerWaalsContact O-CB 3.26Å; L93-H96 WeakPolarHBondContact O-CB 3.31Å; L93-H96 PolarHBondContact O-N 3.14Å; L93-H96 VanDerWaalsContact O-N 3.15Å; A94-H96 VanDerWaalsContact C-N 3.27Å; A94-H96 PolarHBondContact O-N 2.84Å; H96-L98 PolarHBondContact O-N 3.08Å; H96-A516 HydrophobicContact CB-CB 4.07Å; H96-A516 VanDerWaalsContact O-CB 3.23Å; H96-A516 WeakPolarHBondContact O-CB 3.38Å
97	E	95.8	Very high	96.6	Very high	165 Å²	165	44.6 Å²	44.6	77%	0.771	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	27.4	-179.2	-64.3	-178.2	178.1	0	0	114.4	G95	G95-E97 PolarHBondContact O-N 2.92Å
98	L	96.3	Very high	96.6	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.246	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-29.2	-177.6	-173.8	60.9	0	0	0	112.8	G95 H96 I138 R517	G95-L98 PolarHBondContact O-N 3.39Å; H96-L98 PolarHBondContact O-N 3.08Å; L98-I138 HydrophobicContact CD2-CB 3.78Å; L98-I138 HydrophobicContact CD2-CD1 3.92Å; L98-I138 HydrophobicContact CD2-CG1 3.88Å; L98-I138 HydrophobicContact CD2-CG2 4.34Å; L98-R517 HydrophobicContact CD1-CG 3.94Å
99	Y	96	Very high	96.6	Very high	27 Å²	27	41.4 Å²	41.4	11%	0.106	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-119	123.6	-177.9	-53.8	-74	0	0	0	109.5	N101 E102 I104 Y136 I138	Y99-N101 PolarHBondContact O-N 3.13Å; Y99-E102 PolarHBondContact O-N 3.02Å; Y99-I104 HydrophobicContact CD2-CB 4.12Å; Y99-I104 HydrophobicContact CD2-CG1 3.47Å; Y99-I104 VanDerWaalsContact CD2-CG1 3.47Å; Y99-I104 HydrophobicContact CE2-CB 4.26Å; Y99-I104 HydrophobicContact CE2-CG1 3.93Å; Y99-I104 HydrophobicContact CG-CG1 4.39Å; Y99-Y136 HydrophobicContact CD1-CD1 4.21Å; Y99-Y136 HydrophobicContact CD2-CD1 4.02Å; Y99-Y136 HydrophobicContact CD2-CE1 4.49Å; Y99-Y136 AromaticContact CE1-CD1 4Å; Y99-Y136 HydrophobicContact CE1-CD1 4Å; Y99-Y136 AromaticContact CE2-CD1 3.79Å; Y99-Y136 HydrophobicContact CE2-CD1 3.79Å; Y99-Y136 HydrophobicContact CE2-CG 4.26Å; Y99-Y136 HydrophobicContact CG-CD1 4.21Å; Y99-Y136 HydrophobicContact CG-CE1 4.49Å; Y99-Y136 AromaticContact CZ-CD1 3.79Å; Y99-I138 HydrophobicContact CE2-CB 4.43Å; Y99-I138 HydrophobicContact CE2-CG2 3.72Å; Y99-I138 VanDerWaalsContact OH-CB 3.28Å; Y99-I138 WeakPolarHBondContact OH-CB 3.38Å; Y99-I138 VanDerWaalsContact OH-CG2 3.25Å; Y99-I138 WeakPolarHBondContact OH-CG2 3.2Å; Y99-I138 PolarHBondContact OH-N 3.37Å
100	E	90.4	Very high	96.6	Very high	163 Å²	163	39.2 Å²	39.2	76%	0.762	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	127.6	179.7	-160.3	-172.9	162.5	0	0	110.4	E102	E100-E102 PolarHBondContact O-N 3.28Å; E100-E102 VanDerWaalsContact O-N 3.08Å
101	N	89.7	Confident	96.6	Very high	155 Å²	155	39.2 Å²	39.2	83%	0.829	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	14.2	178.9	-52.3	-47.7	0	0	0	116	Y99	Y99-N101 PolarHBondContact O-N 3.13Å
102	E	93.3	Very high	96.6	Very high	46 Å²	46	39.1 Å²	39.1	22%	0.215	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-129.1	122.8	179.4	-61.3	-166.6	-92.6	0	0	112.1	Y99 E100 I104 K131 Y136 R170	Y99-E102 PolarHBondContact O-N 3.02Å; E100-E102 PolarHBondContact O-N 3.28Å; E100-E102 VanDerWaalsContact O-N 3.08Å; E102-I104 HydrophobicContact CB-CD1 4.27Å; E102-I104 PolarHBondContact O-N 2.9Å; E102-K131 WeakPolarHBondContact OE2-CE 3.41Å; E102-K131 IonicContact OE2-NZ 3.34Å; E102-K131 PolarHBondContact OE2-NZ 3.45Å; E102-Y136 PolarHBondContact OE2-OH 2.87Å; E102-Y136 VanDerWaalsContact OE2-OH 3.06Å; E102-R170 IonicContact OE1-CZ 3.93Å; E102-R170 IonicContact OE1-NH1 2.78Å; E102-R170 PolarHBondContact OE1-NH1 2.79Å; E102-R170 IonicContact OE1-NH2 2.68Å; E102-R170 PolarHBondContact OE1-NH2 3.18Å
103	Q	93.7	Very high	96.7	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.542	19%	0.187	S	C	.	.			trans	-91.2	106.4	176.5	-59.3	-161.5	-38.1	0	0	110.5
104	I	96.8	Very high	96.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	19%	0.188	C	C	.	.			trans	-109	70.1	178.6	-46.8	-56.6	0	0	0	108.6	Y99 E102 S106 G107 V130 K131 Y136	Y99-I104 HydrophobicContact CD2-CB 4.12Å; Y99-I104 HydrophobicContact CD2-CG1 3.47Å; Y99-I104 VanDerWaalsContact CD2-CG1 3.47Å; Y99-I104 HydrophobicContact CE2-CB 4.26Å; Y99-I104 HydrophobicContact CE2-CG1 3.93Å; Y99-I104 HydrophobicContact CG-CG1 4.39Å; E102-I104 HydrophobicContact CB-CD1 4.27Å; E102-I104 PolarHBondContact O-N 2.9Å; I104-S106 PolarHBondContact O-N 2.94Å; I104-G107 PolarHBondContact O-N 3.38Å; I104-V130 HydrophobicContact CG2-CG1 4.08Å; I104-K131 HydrophobicContact CD1-CG 3.6Å; I104-Y136 HydrophobicContact CD1-CD1 4.19Å; I104-Y136 HydrophobicContact CD1-CD2 4.11Å; I104-Y136 HydrophobicContact CD1-CE1 3.65Å; I104-Y136 HydrophobicContact CD1-CE2 3.61Å; I104-Y136 HydrophobicContact CD1-CG 4.41Å; I104-Y136 HydrophobicContact CG1-CD1 4.03Å; I104-Y136 HydrophobicContact CG1-CD2 4.44Å; I104-Y136 HydrophobicContact CG1-CE1 3.92Å; I104-Y136 HydrophobicContact CG1-CE2 4.38Å; I104-Y136 HydrophobicContact CG1-CG 4.31Å; I104-Y136 HydrophobicContact CG2-CD2 4.21Å; I104-Y136 HydrophobicContact CG2-CG 4.34Å
105	H	97.6	Very high	96.5	Very high	25 Å²	25	41.8 Å²	41.8	12%	0.116	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-54	130.9	-178.2	-70.4	171.9	0	0	0	111.2	V53 G56 G107 G108 V130	V53-H105 HydrophobicContact CB-CB 4Å; V53-H105 HydrophobicContact CG1-CB 4.31Å; G56-H105 PolarHBondContact O-ND1 3.4Å; H105-G107 PolarHBondContact O-N 3.18Å; H105-G108 PolarHBondContact O-N 2.91Å; H105-V130 HydrophobicContact CB-CG2 4.23Å
106	S	98.1	Very high	96.5	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	55.3	17.4	-177	-57.4	0	0	0	0	115	R74 S92 A94 I104 G108 K142	R74-S106 PolarHBondContact NH2-OG 2.88Å; S92-S106 WeakPolarHBondContact O-CA 3.41Å; S92-S106 WeakPolarHBondContact O-CB 3.24Å; S92-S106 PolarHBondContact O-OG 3.48Å; A94-S106 CarbonylContact O-C 3.58Å; A94-S106 PolarHBondContact O-N 3.12Å; I104-S106 PolarHBondContact O-N 2.94Å; S106-G108 PolarHBondContact O-N 2.73Å; S106-K142 WeakPolarHBondContact O-CD 3.36Å; S106-K142 PolarHBondContact O-NZ 2.98Å
107	G	98	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	72.6	14.2	-172.8	0	0	0	0	0	113.5	A94 I104 H105 I109 T139	A94-G107 PolarHBondContact O-N 3.34Å; I104-G107 PolarHBondContact O-N 3.38Å; H105-G107 PolarHBondContact O-N 3.18Å; G107-I109 VanDerWaalsContact C-N 3.25Å; G107-I109 PolarHBondContact O-N 3.47Å; G107-T139 VanDerWaalsContact O-CB 3.24Å; G107-T139 WeakPolarHBondContact O-CB 3.35Å; G107-T139 VanDerWaalsContact O-CG2 3.27Å; G107-T139 WeakPolarHBondContact O-CG2 3.38Å; G107-T139 PolarHBondContact O-OG1 2.84Å
108	G	98.1	Very high	96.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	74.8	11.9	-175.7	0	0	0	0	0	114.3	H105 S106 D127	H105-G108 PolarHBondContact O-N 2.91Å; S106-G108 PolarHBondContact O-N 2.73Å; G108-D127 PolarHBondContact O-N 2.92Å
109	I	98.7	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	133.5	-177.6	-162.8	171.6	0	0	0	110.4	G107 T111 I124 G125 T139 K142 H143	G107-I109 VanDerWaalsContact C-N 3.25Å; G107-I109 PolarHBondContact O-N 3.47Å; I109-T111 HydrophobicContact CD1-CG2 4.5Å; I109-T111 HydrophobicContact CG1-CG2 4.27Å; I109-T111 HydrophobicContact CG2-CG2 4.49Å; I109-I124 HydrophobicContact CD1-CG2 3.49Å; I109-I124 VanDerWaalsContact CD1-CG2 3.49Å; I109-I124 HydrophobicContact CG1-CG2 4.14Å; I109-G125 CarbonylContact C-O 3.51Å; I109-G125 WeakPolarHBondContact CA-O 3.49Å; I109-G125 VanDerWaalsContact CG1-O 3.31Å; I109-G125 WeakPolarHBondContact CG1-O 3.04Å; I109-T139 HydrophobicContact CB-CG2 4.01Å; I109-T139 HydrophobicContact CG2-CG2 3.94Å; I109-K142 HydrophobicContact CG2-CB 3.99Å; I109-K142 HydrophobicContact CG2-CD 3.64Å; I109-K142 HydrophobicContact CG2-CG 3.81Å; I109-K142 VanDerWaalsContact O-CE 3.26Å; I109-K142 WeakPolarHBondContact O-CE 3.33Å; I109-K142 PolarHBondContact O-NZ 3.2Å; I109-H143 HydrophobicContact CD1-CB 4.07Å
110	V	98.8	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.2	174.3	-177	0	0	0	0	108.1	V73 R74 I77 G125	V73-V110 HydrophobicContact CG1-CB 4.4Å; V73-V110 HydrophobicContact CG1-CG2 3.63Å; V73-V110 HydrophobicContact CG2-CB 4.21Å; V73-V110 HydrophobicContact CG2-CG2 4.32Å; R74-V110 HydrophobicContact CG-CG2 4.33Å; I77-V110 HydrophobicContact CD1-CB 3.96Å; I77-V110 HydrophobicContact CD1-CG1 3.52Å; V110-G125 PolarHBondContact N-O 3.4Å; V110-G125 PolarHBondContact O-N 2.88Å
111	T	98.9	Very high	96.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.8	-177.9	55	0	0	0	0	109.4	L90 I109 I123 I124 K142 A146	L90-T111 PolarHBondContact N-O 3.49Å; L90-T111 PolarHBondContact O-OG1 2.86Å; I109-T111 HydrophobicContact CD1-CG2 4.5Å; I109-T111 HydrophobicContact CG1-CG2 4.27Å; I109-T111 HydrophobicContact CG2-CG2 4.49Å; T111-I123 VanDerWaalsContact CA-O 3.27Å; T111-I123 WeakPolarHBondContact CA-O 3.49Å; T111-I124 HydrophobicContact CG2-CB 4.49Å; T111-I124 HydrophobicContact CG2-CG1 4.21Å; T111-I124 HydrophobicContact CG2-CG2 4.22Å; T111-K142 HydrophobicContact CG2-CG 4.18Å; T111-K142 WeakPolarHBondContact OG1-CE 3.43Å; T111-A146 HydrophobicContact CG2-CB 3.83Å
112	G	98.7	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	176.8	175.3	0	0	0	0	0	113.3	F87 L88 I123	F87-G112 VanDerWaalsContact CE2-C 3.46Å; L88-G112 CarbonylContact O-C 3.43Å; L88-G112 WeakPolarHBondContact O-CA 3.33Å; G112-I123 PolarHBondContact N-O 3.06Å; G112-I123 PolarHBondContact O-N 3.19Å
113	I	98.8	Very high	97	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.5	-178.4	-55.9	167.6	0	0	0	109	F87 L88 E120 C121 M122 I149 L155 F453 V539	F87-I113 WeakPolarHBondContact CA-O 3.36Å; F87-I113 WeakPolarHBondContact CD2-O 3.09Å; L88-I113 PolarHBondContact N-O 2.63Å; L88-I113 PolarHBondContact O-N 3.44Å; I113-E120 HydrophobicContact CG2-CB 4.31Å; I113-C121 WeakPolarHBondContact CA-O 3.32Å; I113-M122 HydrophobicContact CD1-CE 4.02Å; I113-M122 HydrophobicContact CG1-CE 3.6Å; I113-M122 HydrophobicContact CG1-SD 4.37Å; I113-I149 HydrophobicContact CD1-CG2 4Å; I113-L155 HydrophobicContact CD1-CD1 3.64Å; I113-L155 HydrophobicContact CG1-CD1 3.91Å; I113-L155 HydrophobicContact CG2-CD1 4.35Å; I113-F453 HydrophobicContact CD1-CE1 3.76Å; I113-F453 HydrophobicContact CD1-CZ 3.6Å; I113-V539 HydrophobicContact CD1-CG1 4.17Å; I113-V539 HydrophobicContact CD1-CG2 4.22Å; I113-V539 HydrophobicContact CG2-CG2 3.96Å
114	G	97.9	Very high	97.3	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	175	173.1	0	0	0	0	0	111.8	C121	G114-C121 PolarHBondContact N-O 3.08Å; G114-C121 PolarHBondContact O-N 3.11Å
115	Q	96.9	Very high	97.4	Very high	65 Å²	65	15.6 Å²	15.6	30%	0.304	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.4	-176.9	-65.8	-176	-25.7	0	0	111.8	L81 D82 S119 E120	L81-Q115 CarbonylContact C-O 3.58Å; L81-Q115 WeakPolarHBondContact CA-O 3.49Å; D82-Q115 HydrophobicContact CB-CB 4.4Å; D82-Q115 PolarHBondContact N-O 3.41Å; Q115-S119 CarbonylContact C-O 3.46Å; Q115-S119 VanDerWaalsContact CA-O 3.31Å; Q115-S119 WeakPolarHBondContact CA-O 2.98Å; Q115-E120 HydrophobicContact CG-CG 4.31Å
116	I	97.5	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.3	171.9	-55.1	171.2	0	0	0	106.9	L80 L81 G118 S119 C121 I123 V158 R278 I281	L80-I116 HydrophobicContact CD1-CD1 4.05Å; L80-I116 HydrophobicContact CD2-CD1 3.7Å; L80-I116 HydrophobicContact CG-CD1 3.62Å; L80-I116 HydrophobicContact CG-CG1 4.13Å; L81-I116 HydrophobicContact CD2-CG1 4.48Å; I116-G118 PolarHBondContact O-N 2.98Å; I116-S119 PolarHBondContact N-O 3.43Å; I116-S119 WeakPolarHBondContact O-CB 3.38Å; I116-S119 PolarHBondContact O-N 3.19Å; I116-C121 HydrophobicContact CD1-CB 3.88Å; I116-C121 HydrophobicContact CG1-CB 4.39Å; I116-I123 HydrophobicContact CD1-CD1 4.17Å; I116-I123 HydrophobicContact CD1-CG1 4.28Å; I116-V158 HydrophobicContact CD1-CG2 3.9Å; I116-R278 HydrophobicContact CG2-CB 4.15Å; I116-R278 HydrophobicContact CG2-CG 3.92Å; I116-I281 HydrophobicContact CB-CB 4.46Å; I116-I281 HydrophobicContact CB-CG1 4.41Å; I116-I281 HydrophobicContact CB-CG2 4.05Å; I116-I281 HydrophobicContact CD1-CG1 4.48Å; I116-I281 HydrophobicContact CG2-CB 3.89Å; I116-I281 HydrophobicContact CG2-CG1 3.96Å; I116-I281 HydrophobicContact CG2-CG2 3.96Å; I116-I281 VanDerWaalsContact O-CG2 3.3Å; I116-I281 WeakPolarHBondContact O-CG2 3.45Å
117	Y	93.6	Very high	97.4	Very high	112 Å²	112	14.9 Å²	14.9	44%	0.439	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	41.3	-172.7	-88.2	-80.3	0	0	0	113	D82 S119 R278	D82-Y117 VanDerWaalsContact CG-N 3.3Å; D82-Y117 PolarHBondContact OD1-N 2.98Å; D82-Y117 PolarHBondContact OD2-N 3.33Å; Y117-S119 PolarHBondContact O-N 3.48Å; Y117-R278 HydrophobicContact CD2-CB 3.69Å; Y117-R278 WeakPolarHBondContact CD2-O 3.27Å; Y117-R278 HydrophobicContact CE2-CB 3.49Å; Y117-R278 VanDerWaalsContact CE2-CB 3.49Å; Y117-R278 WeakPolarHBondContact CE2-O 3.48Å
118	G	91.6	Very high	97.4	Very high	51 Å²	51	15.9 Å²	15.9	53%	0.526	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-4.5	-178.6	0	0	0	0	0	115	D82 I116	D82-G118 PolarHBondContact OD2-N 3.28Å; I116-G118 PolarHBondContact O-N 2.98Å
119	S	92.9	Very high	97.4	Very high	28 Å²	28	16.1 Å²	16.1	20%	0.196	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.5	178.1	-153.5	0	0	0	0	111.1	Q115 I116 Y117 C121	Q115-S119 CarbonylContact C-O 3.46Å; Q115-S119 VanDerWaalsContact CA-O 3.31Å; Q115-S119 WeakPolarHBondContact CA-O 2.98Å; I116-S119 PolarHBondContact N-O 3.43Å; I116-S119 WeakPolarHBondContact O-CB 3.38Å; I116-S119 PolarHBondContact O-N 3.19Å; Y117-S119 PolarHBondContact O-N 3.48Å; S119-C121 PolarHBondContact O-N 3.42Å; S119-C121 PolarHBondContact O-SG 3.32Å; S119-C121 VanDerWaalsContact O-SG 3.39Å
120	E	95.3	Very high	97.3	Very high	26 Å²	26	16.3 Å²	16.3	12%	0.121	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	116.9	171.3	-71.6	163.4	164.7	0	0	109.5	I113 Q115 L155 P156 S538 K542	I113-E120 HydrophobicContact CG2-CB 4.31Å; Q115-E120 HydrophobicContact CG-CG 4.31Å; E120-L155 HydrophobicContact CB-CD2 4.1Å; E120-P156 VanDerWaalsContact O-CD 3.27Å; E120-P156 WeakPolarHBondContact O-CD 3.38Å; E120-S538 PolarHBondContact OE1-OG 2.98Å; E120-K542 IonicContact OE1-NZ 3.28Å; E120-K542 PolarHBondContact OE1-NZ 3.38Å; E120-K542 WeakPolarHBondContact OE2-CD 3.49Å; E120-K542 IonicContact OE2-NZ 3.52Å; E120-K542 PolarHBondContact OE2-NZ 3.31Å
121	C	97.9	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.4	-176.8	-60	0	0	0	0	110.7	I113 G114 I116 S119 P156	I113-C121 WeakPolarHBondContact CA-O 3.32Å; G114-C121 PolarHBondContact N-O 3.08Å; G114-C121 PolarHBondContact O-N 3.11Å; I116-C121 HydrophobicContact CD1-CB 3.88Å; I116-C121 HydrophobicContact CG1-CB 4.39Å; S119-C121 PolarHBondContact O-N 3.42Å; S119-C121 PolarHBondContact O-SG 3.32Å; S119-C121 VanDerWaalsContact O-SG 3.39Å; C121-P156 CarbonylContact C-O 3.49Å; C121-P156 WeakPolarHBondContact CA-O 3.44Å
122	M	98.8	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.1	165.5	176.6	57.6	66.5	0	0	108.5	L90 I113 I124 A146 I149 A150 L155 P156 C157 V158	L90-M122 HydrophobicContact CD1-CE 3.83Å; L90-M122 HydrophobicContact CD1-SD 4.38Å; I113-M122 HydrophobicContact CD1-CE 4.02Å; I113-M122 HydrophobicContact CG1-CE 3.6Å; I113-M122 HydrophobicContact CG1-SD 4.37Å; M122-I124 HydrophobicContact CG-CD1 4.03Å; M122-I124 HydrophobicContact CG-CG1 3.99Å; M122-I124 HydrophobicContact SD-CG1 4.42Å; M122-A146 WeakPolarHBondContact CE-O 3.38Å; M122-A146 HydrophobicContact CG-CB 4.34Å; M122-A146 HydrophobicContact SD-CB 3.87Å; M122-I149 HydrophobicContact CE-CB 3.89Å; M122-I149 HydrophobicContact CE-CG2 3.53Å; M122-A150 HydrophobicContact CB-CB 3.79Å; M122-A150 HydrophobicContact CG-CB 4.02Å; M122-L155 HydrophobicContact CB-CB 4.17Å; M122-L155 HydrophobicContact CB-CD1 4.36Å; M122-L155 HydrophobicContact CE-CD1 4.3Å; M122-P156 PolarHBondContact N-O 3.23Å; M122-C157 CarbonylContact O-C 3.58Å; M122-C157 WeakPolarHBondContact O-CA 3.35Å; M122-V158 PolarHBondContact O-N 2.79Å
123	I	98.9	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.6	178.2	-57.8	164.9	0	0	0	108.5	I77 L80 L81 F87 T111 G112 I116 V158 L160	I77-I123 HydrophobicContact CD1-CG2 4.44Å; I77-I123 HydrophobicContact CG1-CG2 3.98Å; I77-I123 HydrophobicContact CG2-CD1 4.42Å; L80-I123 HydrophobicContact CD2-CD1 4.03Å; L80-I123 HydrophobicContact CD2-CG1 4.21Å; L80-I123 HydrophobicContact CD2-CG2 4.28Å; L81-I123 HydrophobicContact CD2-CD1 3.53Å; L81-I123 HydrophobicContact CG-CD1 4.24Å; F87-I123 HydrophobicContact CE2-CD1 4.24Å; T111-I123 VanDerWaalsContact CA-O 3.27Å; T111-I123 WeakPolarHBondContact CA-O 3.49Å; G112-I123 PolarHBondContact N-O 3.06Å; G112-I123 PolarHBondContact O-N 3.19Å; I116-I123 HydrophobicContact CD1-CD1 4.17Å; I116-I123 HydrophobicContact CD1-CG1 4.28Å; I123-V158 WeakPolarHBondContact CA-O 3.27Å; I123-L160 HydrophobicContact CG2-CD1 4.14Å; I123-L160 HydrophobicContact CG2-CG 4.36Å
124	I	98.9	Very high	96.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	102.8	-178.3	-61.6	165.7	0	0	0	107.9	I109 T111 M122 A146 Q147 V158 Y159 L160	I109-I124 HydrophobicContact CD1-CG2 3.49Å; I109-I124 VanDerWaalsContact CD1-CG2 3.49Å; I109-I124 HydrophobicContact CG1-CG2 4.14Å; T111-I124 HydrophobicContact CG2-CB 4.49Å; T111-I124 HydrophobicContact CG2-CG1 4.21Å; T111-I124 HydrophobicContact CG2-CG2 4.22Å; M122-I124 HydrophobicContact CG-CD1 4.03Å; M122-I124 HydrophobicContact CG-CG1 3.99Å; M122-I124 HydrophobicContact SD-CG1 4.42Å; I124-A146 HydrophobicContact CD1-CB 3.79Å; I124-A146 HydrophobicContact CG1-CB 3.8Å; I124-Q147 HydrophobicContact CD1-CG 4.18Å; I124-V158 PolarHBondContact N-O 2.9Å; I124-Y159 HydrophobicContact CB-CD1 3.95Å; I124-Y159 HydrophobicContact CB-CE1 4.41Å; I124-Y159 HydrophobicContact CD1-CD1 3.94Å; I124-Y159 HydrophobicContact CD1-CE1 3.49Å; I124-Y159 VanDerWaalsContact CD1-CE1 3.49Å; I124-Y159 HydrophobicContact CG1-CE1 4.5Å; I124-Y159 HydrophobicContact CG2-CD1 4.21Å; I124-Y159 CarbonylContact O-C 3.51Å; I124-Y159 WeakPolarHBondContact O-CA 3.49Å; I124-L160 PolarHBondContact O-N 3.35Å
125	G	98.6	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.4	-176	0	0	0	0	0	113.6	I109 V110 L160	I109-G125 CarbonylContact C-O 3.51Å; I109-G125 WeakPolarHBondContact CA-O 3.49Å; I109-G125 VanDerWaalsContact CG1-O 3.31Å; I109-G125 WeakPolarHBondContact CG1-O 3.04Å; V110-G125 PolarHBondContact N-O 3.4Å; V110-G125 PolarHBondContact O-N 2.88Å; G125-L160 WeakPolarHBondContact CA-O 3.46Å
126	N	98.5	Very high	96.8	Very high	3 Å²	3	21 Å²	21	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.1	174.6	-63.1	117.5	0	0	0	111.2	V73 Y135 L160 D162	V73-N126 WeakPolarHBondContact CG2-O 3.46Å; N126-Y135 PolarHBondContact ND2-OH 2.77Å; N126-L160 PolarHBondContact N-O 3.2Å; N126-D162 HydrophobicContact CB-CB 4.46Å; N126-D162 WeakPolarHBondContact CB-O 3.47Å
127	D	98.3	Very high	96.8	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.064	14%	0.137	C	C	.	.			trans	-97.5	95.7	170.2	-166.1	-18	0	0	0	110.4	G56 V73 G108 T129 V130 G133	G56-D127 WeakPolarHBondContact CA-OD2 3.31Å; V73-D127 HydrophobicContact CG1-CB 3.93Å; G108-D127 PolarHBondContact O-N 2.92Å; D127-T129 VanDerWaalsContact CG-OG1 3.29Å; D127-T129 PolarHBondContact O-N 3.26Å; D127-T129 VanDerWaalsContact O-N 3.11Å; D127-T129 WeakPolarHBondContact OD1-CB 3.38Å; D127-T129 PolarHBondContact OD1-N 3.48Å; D127-T129 PolarHBondContact OD1-OG1 2.97Å; D127-T129 PolarHBondContact OD2-OG1 3.26Å; D127-V130 HydrophobicContact CB-CB 4.42Å; D127-V130 HydrophobicContact CB-CG2 4.09Å; D127-V130 PolarHBondContact O-N 3.3Å; D127-G133 VanDerWaalsContact O-CA 3.29Å; D127-G133 WeakPolarHBondContact O-CA 3.42Å; D127-G133 PolarHBondContact O-N 2.77Å
128	A	97.5	Very high	97	Very high	20 Å²	20	17.7 Å²	17.7	17%	0.165	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.8	178.8	0	0	0	0	0	113.8	G132 D162	A128-G132 CarbonylContact O-C 3.46Å; A128-G132 WeakPolarHBondContact O-CA 3.05Å; A128-G132 PolarHBondContact O-N 3.2Å; A128-D162 HydrophobicContact CB-CB 4.31Å
129	T	97.6	Very high	97.4	Very high	7 Å²	7	15.2 Å²	15.2	4%	0.043	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.7	177	70.8	0	0	0	0	112	G57 A61 V62 H65 L72 D127 K131	G57-T129 WeakPolarHBondContact CA-O 3.4Å; G57-T129 PolarHBondContact N-OG1 2.87Å; A61-T129 WeakPolarHBondContact CB-O 3.38Å; V62-T129 HydrophobicContact CG2-CG2 4.22Å; H65-T129 HydrophobicContact CB-CG2 3.77Å; L72-T129 HydrophobicContact CD2-CG2 3.73Å; D127-T129 VanDerWaalsContact CG-OG1 3.29Å; D127-T129 PolarHBondContact O-N 3.26Å; D127-T129 VanDerWaalsContact O-N 3.11Å; D127-T129 WeakPolarHBondContact OD1-CB 3.38Å; D127-T129 PolarHBondContact OD1-N 3.48Å; D127-T129 PolarHBondContact OD1-OG1 2.97Å; D127-T129 PolarHBondContact OD2-OG1 3.26Å; T129-K131 PolarHBondContact O-N 3.37Å
130	V	97.6	Very high	97.7	Very high	4 Å²	4	14 Å²	14	2%	0.024	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	98.4	177.6	-178.5	0	0	0	0	109.4	I104 H105 D127 G132 G133	I104-V130 HydrophobicContact CG2-CG1 4.08Å; H105-V130 HydrophobicContact CB-CG2 4.23Å; D127-V130 HydrophobicContact CB-CB 4.42Å; D127-V130 HydrophobicContact CB-CG2 4.09Å; D127-V130 PolarHBondContact O-N 3.3Å; V130-G132 PolarHBondContact O-N 3.19Å; V130-G132 VanDerWaalsContact O-N 3.1Å; V130-G133 PolarHBondContact O-N 3.12Å
131	K	95.9	Very high	97.8	Very high	106 Å²	106	17 Å²	17	46%	0.461	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	50.4	39.3	178.2	-55.2	-72	-78.1	-157.2	0	112.7	E102 I104 T129 G133 T134 Y136	E102-K131 WeakPolarHBondContact OE2-CE 3.41Å; E102-K131 IonicContact OE2-NZ 3.34Å; E102-K131 PolarHBondContact OE2-NZ 3.45Å; I104-K131 HydrophobicContact CD1-CG 3.6Å; T129-K131 PolarHBondContact O-N 3.37Å; K131-G133 VanDerWaalsContact C-N 3.29Å; K131-G133 PolarHBondContact O-N 2.79Å; K131-T134 WeakPolarHBondContact O-CG2 3.31Å; K131-T134 PolarHBondContact O-N 2.9Å; K131-T134 PolarHBondContact O-OG1 2.97Å; K131-Y136 HydrophobicContact CB-CE2 4.08Å; K131-Y136 WeakPolarHBondContact CE-OH 3.21Å; K131-Y136 HydrophobicContact CG-CE2 4.28Å
132	G	94.4	Very high	97.9	Very high	40 Å²	40	17.1 Å²	17.1	41%	0.412	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	71.8	17.3	-179.9	0	0	0	0	0	114.7	A128 V130 T134 G164	A128-G132 CarbonylContact O-C 3.46Å; A128-G132 WeakPolarHBondContact O-CA 3.05Å; A128-G132 PolarHBondContact O-N 3.2Å; V130-G132 PolarHBondContact O-N 3.19Å; V130-G132 VanDerWaalsContact O-N 3.1Å; G132-T134 PolarHBondContact O-N 3.32Å; G132-G164 PolarHBondContact O-N 2.85Å
133	G	95.8	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	69.3	20.9	-174.3	0	0	0	0	0	113.2	D127 V130 K131 S163	D127-G133 VanDerWaalsContact O-CA 3.29Å; D127-G133 WeakPolarHBondContact O-CA 3.42Å; D127-G133 PolarHBondContact O-N 2.77Å; V130-G133 PolarHBondContact O-N 3.12Å; K131-G133 VanDerWaalsContact C-N 3.29Å; K131-G133 PolarHBondContact O-N 2.79Å; G133-S163 VanDerWaalsContact O-CB 3.31Å; G133-S163 WeakPolarHBondContact O-CB 3.26Å; G133-S163 PolarHBondContact O-OG 2.85Å
134	T	96.6	Very high	97.9	Very high	27 Å²	27	18 Å²	18	17%	0.166	10%	0.102	C	C	.	.			trans	-70.1	143.4	-178.4	51.6	0	0	0	0	111.9	K131 G132 Y136 G165	K131-T134 WeakPolarHBondContact O-CG2 3.31Å; K131-T134 PolarHBondContact O-N 2.9Å; K131-T134 PolarHBondContact O-OG1 2.97Å; G132-T134 PolarHBondContact O-N 3.32Å; T134-Y136 WeakPolarHBondContact O-CD2 3.4Å; T134-Y136 PolarHBondContact O-N 3.03Å; T134-G165 CarbonylContact C-O 3.49Å; T134-G165 WeakPolarHBondContact CA-O 3.35Å
135	Y	98.1	Very high	97.9	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-79.5	110	-179	-81.4	-104.3	0	0	0	111.8	N126 T139 V140 H143 S163 G165 N167 F181 I184	N126-Y135 PolarHBondContact ND2-OH 2.77Å; Y135-T139 HydrophobicContact CD1-CG2 3.45Å; Y135-T139 VanDerWaalsContact CD1-CG2 3.45Å; Y135-T139 HydrophobicContact CE1-CG2 3.75Å; Y135-T139 HydrophobicContact CG-CG2 3.9Å; Y135-V140 HydrophobicContact CD1-CG2 4.08Å; Y135-H143 HydrophobicContact CE1-CB 4.26Å; Y135-H143 AromaticContact CE1-ND1 3.64Å; Y135-H143 AromaticContact CZ-ND1 3.74Å; Y135-H143 PolarHBondContact OH-CE1 3.43Å; Y135-H143 PolarHBondContact OH-ND1 3.14Å; Y135-S163 WeakPolarHBondContact CD2-OG 3.35Å; Y135-S163 WeakPolarHBondContact CE2-OG 3.34Å; Y135-G165 PolarHBondContact N-O 3.02Å; Y135-N167 VanDerWaalsContact O-CB 3.26Å; Y135-N167 WeakPolarHBondContact O-CB 3.42Å; Y135-N167 PolarHBondContact O-N 2.84Å; Y135-F181 AromaticContact CD1-CD2 3.79Å; Y135-F181 HydrophobicContact CD1-CD2 3.79Å; Y135-F181 AromaticContact CD1-CE2 3.5Å; Y135-F181 HydrophobicContact CD1-CE2 3.5Å; Y135-F181 VanDerWaalsContact CD1-CE2 3.5Å; Y135-F181 HydrophobicContact CD2-CD2 4.46Å; Y135-F181 AromaticContact CD2-CE2 3.54Å; Y135-F181 HydrophobicContact CD2-CE2 3.54Å; Y135-F181 HydrophobicContact CD2-CZ 4.23Å; Y135-F181 HydrophobicContact CE1-CD2 4.24Å; Y135-F181 AromaticContact CE1-CE2 3.7Å; Y135-F181 HydrophobicContact CE1-CE2 3.7Å; Y135-F181 AromaticContact CE2-CE2 3.73Å; Y135-F181 HydrophobicContact CE2-CE2 3.73Å; Y135-F181 HydrophobicContact CE2-CZ 4.26Å; Y135-F181 AromaticContact CG-CD2 3.91Å; Y135-F181 HydrophobicContact CG-CD2 3.91Å; Y135-F181 AromaticContact CG-CE2 3.41Å; Y135-F181 HydrophobicContact CG-CE2 3.41Å; Y135-F181 VanDerWaalsContact CG-CE2 3.41Å; Y135-F181 HydrophobicContact CG-CZ 4.47Å; Y135-F181 AromaticContact CZ-CE2 3.81Å; Y135-I184 HydrophobicContact CE1-CD1 4.12Å
136	Y	98.1	Very high	97.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	11%	0.105	C	C	.	.			trans	-83.1	164.6	164.4	-75.7	-110.1	0	0	0	109.8	Y99 E102 I104 K131 T134 I138 T139 V140 N167	Y99-Y136 HydrophobicContact CD1-CD1 4.21Å; Y99-Y136 HydrophobicContact CD2-CD1 4.02Å; Y99-Y136 HydrophobicContact CD2-CE1 4.49Å; Y99-Y136 AromaticContact CE1-CD1 4Å; Y99-Y136 HydrophobicContact CE1-CD1 4Å; Y99-Y136 AromaticContact CE2-CD1 3.79Å; Y99-Y136 HydrophobicContact CE2-CD1 3.79Å; Y99-Y136 HydrophobicContact CE2-CG 4.26Å; Y99-Y136 HydrophobicContact CG-CD1 4.21Å; Y99-Y136 HydrophobicContact CG-CE1 4.49Å; Y99-Y136 AromaticContact CZ-CD1 3.79Å; E102-Y136 PolarHBondContact OE2-OH 2.87Å; E102-Y136 VanDerWaalsContact OE2-OH 3.06Å; I104-Y136 HydrophobicContact CD1-CD1 4.19Å; I104-Y136 HydrophobicContact CD1-CD2 4.11Å; I104-Y136 HydrophobicContact CD1-CE1 3.65Å; I104-Y136 HydrophobicContact CD1-CE2 3.61Å; I104-Y136 HydrophobicContact CD1-CG 4.41Å; I104-Y136 HydrophobicContact CG1-CD1 4.03Å; I104-Y136 HydrophobicContact CG1-CD2 4.44Å; I104-Y136 HydrophobicContact CG1-CE1 3.92Å; I104-Y136 HydrophobicContact CG1-CE2 4.38Å; I104-Y136 HydrophobicContact CG1-CG 4.31Å; I104-Y136 HydrophobicContact CG2-CD2 4.21Å; I104-Y136 HydrophobicContact CG2-CG 4.34Å; K131-Y136 HydrophobicContact CB-CE2 4.08Å; K131-Y136 WeakPolarHBondContact CE-OH 3.21Å; K131-Y136 HydrophobicContact CG-CE2 4.28Å; T134-Y136 WeakPolarHBondContact O-CD2 3.4Å; T134-Y136 PolarHBondContact O-N 3.03Å; Y136-I138 PolarHBondContact O-N 2.96Å; Y136-I138 VanDerWaalsContact O-N 3.14Å; Y136-T139 PolarHBondContact N-OG1 3.43Å; Y136-T139 WeakPolarHBondContact O-CA 3.48Å; Y136-T139 VanDerWaalsContact O-CB 3.26Å; Y136-T139 WeakPolarHBondContact O-CB 3.24Å; Y136-T139 PolarHBondContact O-N 3.15Å; Y136-T139 PolarHBondContact O-OG1 3.31Å; Y136-V140 PolarHBondContact O-N 3.41Å; Y136-V140 VanDerWaalsContact O-N 3.1Å; Y136-N167 HydrophobicContact CD2-CB 4.19Å; Y136-N167 HydrophobicContact CE2-CB 4.2Å; Y136-N167 HydrophobicContact CG-CB 4.36Å; Y136-N167 VanDerWaalsContact CZ-ND2 3.25Å; Y136-N167 PolarHBondContact OH-ND2 3.29Å
137	P	98.4	Very high	97.9	Very high	35 Å²	35	18.5 Å²	18.5	23%	0.227	10%	0.104	C	C	.	.	H	α-helix	trans	-49.8	-40.8	174	-29.7	36.2	0	0	0	113.1	V140 K141 R170 V174	P137-V140 PolarHBondContact O-N 3.26Å; P137-K141 PolarHBondContact O-N 2.73Å; P137-R170 HydrophobicContact CG-CB 4.32Å; P137-V174 HydrophobicContact CG-CG2 3.91Å
138	I	98.5	Very high	97.9	Very high	7 Å²	7	21 Å²	21	4%	0.036	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-32.6	177	-158.5	62.6	0	0	0	113.4	A94 L98 Y99 Y136 K141 K142 A516 L518	A94-I138 HydrophobicContact CB-CG1 4.28Å; L98-I138 HydrophobicContact CD2-CB 3.78Å; L98-I138 HydrophobicContact CD2-CD1 3.92Å; L98-I138 HydrophobicContact CD2-CG1 3.88Å; L98-I138 HydrophobicContact CD2-CG2 4.34Å; Y99-I138 HydrophobicContact CE2-CB 4.43Å; Y99-I138 HydrophobicContact CE2-CG2 3.72Å; Y99-I138 VanDerWaalsContact OH-CB 3.28Å; Y99-I138 WeakPolarHBondContact OH-CB 3.38Å; Y99-I138 VanDerWaalsContact OH-CG2 3.25Å; Y99-I138 WeakPolarHBondContact OH-CG2 3.2Å; Y99-I138 PolarHBondContact OH-N 3.37Å; Y136-I138 PolarHBondContact O-N 2.96Å; Y136-I138 VanDerWaalsContact O-N 3.14Å; I138-K141 HydrophobicContact CD1-CD 4.39Å; I138-K141 PolarHBondContact O-N 2.91Å; I138-K142 WeakPolarHBondContact O-CB 3.46Å; I138-K142 PolarHBondContact O-N 2.75Å; I138-A516 WeakPolarHBondContact CD1-O 3.33Å; I138-L518 HydrophobicContact CD1-CD1 3.61Å; I138-L518 HydrophobicContact CG1-CD1 3.94Å
139	T	98.7	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-45.1	175.8	-41.8	0	0	0	0	110	G107 I109 Y135 Y136 K142 H143	G107-T139 VanDerWaalsContact O-CB 3.24Å; G107-T139 WeakPolarHBondContact O-CB 3.35Å; G107-T139 VanDerWaalsContact O-CG2 3.27Å; G107-T139 WeakPolarHBondContact O-CG2 3.38Å; G107-T139 PolarHBondContact O-OG1 2.84Å; I109-T139 HydrophobicContact CB-CG2 4.01Å; I109-T139 HydrophobicContact CG2-CG2 3.94Å; Y135-T139 HydrophobicContact CD1-CG2 3.45Å; Y135-T139 VanDerWaalsContact CD1-CG2 3.45Å; Y135-T139 HydrophobicContact CE1-CG2 3.75Å; Y135-T139 HydrophobicContact CG-CG2 3.9Å; Y136-T139 PolarHBondContact N-OG1 3.43Å; Y136-T139 WeakPolarHBondContact O-CA 3.48Å; Y136-T139 VanDerWaalsContact O-CB 3.26Å; Y136-T139 WeakPolarHBondContact O-CB 3.24Å; Y136-T139 PolarHBondContact O-N 3.15Å; Y136-T139 PolarHBondContact O-OG1 3.31Å; T139-K142 PolarHBondContact O-N 2.91Å; T139-H143 WeakPolarHBondContact O-CB 3.45Å; T139-H143 PolarHBondContact O-N 2.74Å
140	V	98.6	Very high	98	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-52	175.2	-178.7	0	0	0	0	110	Y135 Y136 P137 K142 H143 L144 V174 F181	Y135-V140 HydrophobicContact CD1-CG2 4.08Å; Y136-V140 PolarHBondContact O-N 3.41Å; Y136-V140 VanDerWaalsContact O-N 3.1Å; P137-V140 PolarHBondContact O-N 3.26Å; V140-K142 VanDerWaalsContact C-N 3.27Å; V140-K142 PolarHBondContact O-N 2.85Å; V140-H143 PolarHBondContact O-N 2.84Å; V140-L144 HydrophobicContact CG1-CD1 3.97Å; V140-L144 HydrophobicContact CG1-CG 4.33Å; V140-L144 WeakPolarHBondContact O-CG 3.48Å; V140-L144 PolarHBondContact O-N 2.86Å; V140-V174 HydrophobicContact CG2-CG1 3.89Å; V140-F181 HydrophobicContact CG2-CB 4.48Å; V140-F181 HydrophobicContact CG2-CD2 4.19Å
141	K	98.8	Very high	98	Very high	90 Å²	90	22 Å²	22	39%	0.391	12%	0.116	S	C	.	.	H	α-helix	trans	-57.2	-41.1	179.4	-168.7	178	-177.6	-173.7	0	112.2	P137 I138 R145 R517 L518	P137-K141 PolarHBondContact O-N 2.73Å; I138-K141 HydrophobicContact CD1-CD 4.39Å; I138-K141 PolarHBondContact O-N 2.91Å; K141-R145 WeakPolarHBondContact O-CB 2.71Å; K141-R145 PolarHBondContact O-N 3.05Å; K141-R517 PolarHBondContact NZ-O 2.72Å; K141-L518 HydrophobicContact CD-CB 4.21Å; K141-L518 HydrophobicContact CG-CD2 4.29Å
142	K	98.8	Very high	98	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-69.6	-41.7	178.4	-174.9	168.3	174	-178.6	0	113.2	L90 S91 A94 S106 I109 T111 I138 T139 V140 R145 A146 L518	L90-K142 WeakPolarHBondContact O-CE 3.26Å; L90-K142 PolarHBondContact O-NZ 3.35Å; S91-K142 PolarHBondContact O-NZ 2.86Å; A94-K142 HydrophobicContact CB-CD 3.75Å; S106-K142 WeakPolarHBondContact O-CD 3.36Å; S106-K142 PolarHBondContact O-NZ 2.98Å; I109-K142 HydrophobicContact CG2-CB 3.99Å; I109-K142 HydrophobicContact CG2-CD 3.64Å; I109-K142 HydrophobicContact CG2-CG 3.81Å; I109-K142 VanDerWaalsContact O-CE 3.26Å; I109-K142 WeakPolarHBondContact O-CE 3.33Å; I109-K142 PolarHBondContact O-NZ 3.2Å; T111-K142 HydrophobicContact CG2-CG 4.18Å; T111-K142 WeakPolarHBondContact OG1-CE 3.43Å; I138-K142 WeakPolarHBondContact O-CB 3.46Å; I138-K142 PolarHBondContact O-N 2.75Å; T139-K142 PolarHBondContact O-N 2.91Å; V140-K142 VanDerWaalsContact C-N 3.27Å; V140-K142 PolarHBondContact O-N 2.85Å; K142-R145 PolarHBondContact O-N 3.45Å; K142-A146 PolarHBondContact O-N 3.2Å; K142-L518 HydrophobicContact CB-CD1 4.41Å; K142-L518 HydrophobicContact CB-CD2 3.63Å; K142-L518 HydrophobicContact CG-CD2 4.08Å
143	H	98.9	Very high	98	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-48.8	173.3	-163.7	141.1	0	0	0	110.5	I109 Y135 T139 V140 R145 A146 Q147 Y159 I184	I109-H143 HydrophobicContact CD1-CB 4.07Å; Y135-H143 HydrophobicContact CE1-CB 4.26Å; Y135-H143 AromaticContact CE1-ND1 3.64Å; Y135-H143 AromaticContact CZ-ND1 3.74Å; Y135-H143 PolarHBondContact OH-CE1 3.43Å; Y135-H143 PolarHBondContact OH-ND1 3.14Å; T139-H143 WeakPolarHBondContact O-CB 3.45Å; T139-H143 PolarHBondContact O-N 2.74Å; V140-H143 PolarHBondContact O-N 2.84Å; H143-R145 PolarHBondContact O-N 2.98Å; H143-A146 WeakPolarHBondContact O-CB 3.26Å; H143-A146 PolarHBondContact O-N 2.85Å; H143-Q147 PolarHBondContact O-N 3.28Å; H143-Y159 AromaticContact NE2-CD1 3.76Å; H143-Y159 AromaticContact NE2-CE1 3.43Å; H143-Y159 WeakPolarHBondContact NE2-CE1 3.28Å; H143-I184 HydrophobicContact CB-CD1 4.12Å; H143-I184 HydrophobicContact CB-CG1 4.49Å
144	L	98.8	Very high	98	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.089	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-40.1	179.5	-66.9	179.9	0	0	0	112.7	V140 A146 Q147 E148 Y179 R183 I184	V140-L144 HydrophobicContact CG1-CD1 3.97Å; V140-L144 HydrophobicContact CG1-CG 4.33Å; V140-L144 WeakPolarHBondContact O-CG 3.48Å; V140-L144 PolarHBondContact O-N 2.86Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.33Å; L144-Q147 PolarHBondContact O-N 2.78Å; L144-E148 WeakPolarHBondContact O-CB 3.5Å; L144-E148 PolarHBondContact O-N 2.9Å; L144-Y179 WeakPolarHBondContact CD1-O 3.33Å; L144-R183 HydrophobicContact CD1-CB 4.02Å; L144-R183 HydrophobicContact CD1-CG 4.16Å; L144-R183 HydrophobicContact CD2-CB 3.7Å; L144-R183 HydrophobicContact CD2-CG 3.73Å; L144-I184 HydrophobicContact CD2-CB 4.45Å; L144-I184 HydrophobicContact CD2-CG1 3.66Å; L144-I184 HydrophobicContact CG-CG1 4.36Å
145	R	98.8	Very high	98	Very high	16 Å²	16	18.5 Å²	18.5	6%	0.06	9%	0.089	C	C	.	.	H	α-helix	trans	-63	-39.2	174.7	177.9	55.7	-176.8	166.2	4.4	112.1	K141 K142 H143 Q147 E148 I149 R447 P451 R452 L518 D521	K141-R145 WeakPolarHBondContact O-CB 2.71Å; K141-R145 PolarHBondContact O-N 3.05Å; K142-R145 PolarHBondContact O-N 3.45Å; H143-R145 PolarHBondContact O-N 2.98Å; R145-Q147 VanDerWaalsContact C-N 3.35Å; R145-E148 WeakPolarHBondContact CD-OE2 3.37Å; R145-E148 IonicContact CZ-OE2 2.72Å; R145-E148 IonicContact NE-OE2 3.38Å; R145-E148 IonicContact NH1-OE1 2.89Å; R145-E148 IonicContact NH1-OE2 3.21Å; R145-E148 PolarHBondContact NH1-OE2 3.37Å; R145-E148 WeakPolarHBondContact O-CB 3.19Å; R145-E148 PolarHBondContact O-N 2.99Å; R145-I149 HydrophobicContact CG-CD1 4.22Å; R145-I149 WeakPolarHBondContact O-CG1 3.48Å; R145-I149 PolarHBondContact O-N 3.29Å; R145-R447 VanDerWaalsContact NE-NH1 3.17Å; R145-R447 VanDerWaalsContact NH2-NH1 3.16Å; R145-P451 PolarHBondContact NH2-O 2.9Å; R145-R452 PolarHBondContact NH2-O 3.1Å; R145-R452 VanDerWaalsContact NH2-O 3.11Å; R145-L518 HydrophobicContact CB-CD2 4.18Å; R145-D521 IonicContact CZ-OD1 2.8Å; R145-D521 IonicContact CZ-OD2 3.74Å; R145-D521 IonicContact NE-OD1 3.1Å; R145-D521 PolarHBondContact NE-OD1 3.4Å; R145-D521 IonicContact NE-OD2 3.23Å; R145-D521 IonicContact NH2-OD1 3.1Å; R145-D521 IonicContact NH2-OD2 3.34Å; R145-D521 PolarHBondContact NH2-OD2 3.48Å
146	A	98.9	Very high	98	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-41.9	175.3	0	0	0	0	0	111.8	T111 M122 I124 K142 H143 L144 I149 A150	T111-A146 HydrophobicContact CG2-CB 3.83Å; M122-A146 WeakPolarHBondContact CE-O 3.38Å; M122-A146 HydrophobicContact CG-CB 4.34Å; M122-A146 HydrophobicContact SD-CB 3.87Å; I124-A146 HydrophobicContact CD1-CB 3.79Å; I124-A146 HydrophobicContact CG1-CB 3.8Å; K142-A146 PolarHBondContact O-N 3.2Å; H143-A146 WeakPolarHBondContact O-CB 3.26Å; H143-A146 PolarHBondContact O-N 2.85Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.33Å; A146-I149 PolarHBondContact O-N 2.91Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.37Å
147	Q	98.8	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.8	-36.2	174.6	-70.4	-177.4	-41.2	0	0	113.3	I124 H143 L144 R145 A150 M151 Y159 I184 N187 M191	I124-Q147 HydrophobicContact CD1-CG 4.18Å; H143-Q147 PolarHBondContact O-N 3.28Å; L144-Q147 PolarHBondContact O-N 2.78Å; R145-Q147 VanDerWaalsContact C-N 3.35Å; Q147-A150 PolarHBondContact O-N 3.01Å; Q147-M151 VanDerWaalsContact O-CB 3.29Å; Q147-M151 WeakPolarHBondContact O-CB 3.38Å; Q147-M151 PolarHBondContact O-N 3.4Å; Q147-Y159 PolarHBondContact NE2-OH 3.47Å; Q147-Y159 VanDerWaalsContact NE2-OH 3.13Å; Q147-I184 PolarHBondContact NE2-O 2.72Å; Q147-N187 HydrophobicContact CB-CB 4.26Å; Q147-N187 VanDerWaalsContact OE1-CB 3.3Å; Q147-N187 PolarHBondContact OE1-ND2 3.21Å; Q147-M191 HydrophobicContact CB-CE 3.96Å; Q147-M191 HydrophobicContact CG-CE 3.86Å
148	E	98.5	Very high	98.1	Very high	64 Å²	64	16.7 Å²	16.7	30%	0.299	8%	0.078	S	C	.	.	H	α-helix	trans	-59.4	-50.2	173.6	-178.8	-176.7	-152.4	0	0	110.5	L144 R145 A150 M151 E152	L144-E148 WeakPolarHBondContact O-CB 3.5Å; L144-E148 PolarHBondContact O-N 2.9Å; R145-E148 WeakPolarHBondContact CD-OE2 3.37Å; R145-E148 IonicContact CZ-OE2 2.72Å; R145-E148 IonicContact NE-OE2 3.38Å; R145-E148 IonicContact NH1-OE1 2.89Å; R145-E148 IonicContact NH1-OE2 3.21Å; R145-E148 PolarHBondContact NH1-OE2 3.37Å; R145-E148 WeakPolarHBondContact O-CB 3.19Å; R145-E148 PolarHBondContact O-N 2.99Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 3.38Å; E148-M151 PolarHBondContact O-N 3.04Å; E148-E152 WeakPolarHBondContact O-CB 3.37Å; E148-E152 WeakPolarHBondContact O-CG 3.23Å; E148-E152 PolarHBondContact O-N 2.98Å
149	I	98.7	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-43.4	174.6	-69.2	168.5	0	0	0	110.8	L90 I113 M122 R145 A146 M151 N153 L155 F453	L90-I149 HydrophobicContact CD1-CD1 3.64Å; I113-I149 HydrophobicContact CD1-CG2 4Å; M122-I149 HydrophobicContact CE-CB 3.89Å; M122-I149 HydrophobicContact CE-CG2 3.53Å; R145-I149 HydrophobicContact CG-CD1 4.22Å; R145-I149 WeakPolarHBondContact O-CG1 3.48Å; R145-I149 PolarHBondContact O-N 3.29Å; A146-I149 PolarHBondContact O-N 2.91Å; I149-M151 PolarHBondContact O-N 3.07Å; I149-N153 VanDerWaalsContact O-CB 3.31Å; I149-N153 WeakPolarHBondContact O-CB 3.49Å; I149-N153 PolarHBondContact O-N 2.83Å; I149-N153 PolarHBondContact O-ND2 3.37Å; I149-L155 HydrophobicContact CG2-CD1 4.36Å; I149-F453 HydrophobicContact CD1-CD1 4.33Å; I149-F453 HydrophobicContact CD1-CE1 4.15Å; I149-F453 HydrophobicContact CG2-CE1 3.7Å; I149-F453 HydrophobicContact CG2-CZ 3.71Å
150	A	98.4	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.8	-42.9	178.6	0	0	0	0	0	112.6	M122 A146 Q147 E148 H154 L155 C157 M191	M122-A150 HydrophobicContact CB-CB 3.79Å; M122-A150 HydrophobicContact CG-CB 4.02Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.37Å; Q147-A150 PolarHBondContact O-N 3.01Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 3.38Å; A150-H154 CarbonylContact O-C 3.59Å; A150-H154 VanDerWaalsContact O-CA 3.28Å; A150-H154 WeakPolarHBondContact O-CA 3.25Å; A150-H154 PolarHBondContact O-N 2.68Å; A150-L155 HydrophobicContact CB-CB 4.26Å; A150-L155 PolarHBondContact O-N 2.58Å; A150-C157 WeakPolarHBondContact CB-SG 3.33Å; A150-M191 HydrophobicContact CB-SD 4.09Å
151	M	97.1	Very high	98.1	Very high	52 Å²	52	16.4 Å²	16.4	26%	0.256	8%	0.076	S	C	.	.	H	α-helix	trans	-66.8	-48.8	179.3	-167.4	-175.1	-34.8	0	0	111.5	Q147 E148 I149 N153 H154 N187 M191 L194	Q147-M151 VanDerWaalsContact O-CB 3.29Å; Q147-M151 WeakPolarHBondContact O-CB 3.38Å; Q147-M151 PolarHBondContact O-N 3.4Å; E148-M151 PolarHBondContact O-N 3.04Å; I149-M151 PolarHBondContact O-N 3.07Å; M151-N153 VanDerWaalsContact C-N 3.29Å; M151-N153 PolarHBondContact O-N 3.31Å; M151-H154 PolarHBondContact O-N 3.31Å; M151-H154 PolarHBondContact O-ND1 3.5Å; M151-N187 HydrophobicContact CE-CB 4.21Å; M151-M191 HydrophobicContact CB-CG 4.01Å; M151-M191 HydrophobicContact CB-SD 3.96Å; M151-M191 HydrophobicContact CE-CG 4.25Å; M151-M191 HydrophobicContact CG-CG 3.99Å; M151-L194 HydrophobicContact CG-CD1 4.3Å
152	E	96.1	Very high	98	Very high	41 Å²	41	12.6 Å²	12.6	19%	0.192	6%	0.06	C	C	.	.	H	α-helix	trans	-63	-36.3	179.8	-71.7	177.8	175.5	0	0	112.3	E148 H154 R452 S543	E148-E152 WeakPolarHBondContact O-CB 3.37Å; E148-E152 WeakPolarHBondContact O-CG 3.23Å; E148-E152 PolarHBondContact O-N 2.98Å; E152-H154 PolarHBondContact O-ND1 3.07Å; E152-R452 PolarHBondContact O-NH1 3.42Å; E152-R452 VanDerWaalsContact OE2-CD 3.26Å; E152-R452 WeakPolarHBondContact OE2-CD 3.3Å; E152-S543 WeakPolarHBondContact O-CB 3.02Å
153	N	95.9	Very high	97.9	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-102.2	4.6	-175.9	-55.7	-71.4	0	0	0	113.9	I149 M151 L155 R452 V539 A540	I149-N153 VanDerWaalsContact O-CB 3.31Å; I149-N153 WeakPolarHBondContact O-CB 3.49Å; I149-N153 PolarHBondContact O-N 2.83Å; I149-N153 PolarHBondContact O-ND2 3.37Å; M151-N153 VanDerWaalsContact C-N 3.29Å; M151-N153 PolarHBondContact O-N 3.31Å; N153-L155 HydrophobicContact CB-CD1 4.2Å; N153-L155 HydrophobicContact CB-CD2 4.46Å; N153-L155 HydrophobicContact CB-CG 4Å; N153-L155 PolarHBondContact O-N 3.04Å; N153-R452 PolarHBondContact OD1-NH1 3.35Å; N153-V539 HydrophobicContact CB-CG1 3.53Å; N153-A540 VanDerWaalsContact OD1-CA 3.3Å; N153-A540 WeakPolarHBondContact OD1-CA 3.29Å
154	H	95	Very high	97.5	Very high	48 Å²	48	14.9 Å²	14.9	22%	0.222	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	47.5	178.8	-61.2	54.6	0	0	0	113.1	A150 M151 E152 I196 R286 P544	A150-H154 CarbonylContact O-C 3.59Å; A150-H154 VanDerWaalsContact O-CA 3.28Å; A150-H154 WeakPolarHBondContact O-CA 3.25Å; A150-H154 PolarHBondContact O-N 2.68Å; M151-H154 PolarHBondContact O-N 3.31Å; M151-H154 PolarHBondContact O-ND1 3.5Å; E152-H154 PolarHBondContact O-ND1 3.07Å; H154-I196 HydrophobicContact CB-CD1 4.41Å; H154-I196 HydrophobicContact CB-CG1 4.46Å; H154-R286 PolarHBondContact O-NH1 3.37Å; H154-R286 PolarHBondContact O-NH2 2.96Å; H154-P544 VanDerWaalsContact CE1-CD 3.45Å; H154-P544 WeakPolarHBondContact CE1-CD 3.43Å
155	L	97	Very high	97.3	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.031	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-94.6	129.2	-179.4	-55	171.6	0	0	0	110.6	I113 E120 M122 I149 A150 N153 C157 I196 V539	I113-L155 HydrophobicContact CD1-CD1 3.64Å; I113-L155 HydrophobicContact CG1-CD1 3.91Å; I113-L155 HydrophobicContact CG2-CD1 4.35Å; E120-L155 HydrophobicContact CB-CD2 4.1Å; M122-L155 HydrophobicContact CB-CB 4.17Å; M122-L155 HydrophobicContact CB-CD1 4.36Å; M122-L155 HydrophobicContact CE-CD1 4.3Å; I149-L155 HydrophobicContact CG2-CD1 4.36Å; A150-L155 HydrophobicContact CB-CB 4.26Å; A150-L155 PolarHBondContact O-N 2.58Å; N153-L155 HydrophobicContact CB-CD1 4.2Å; N153-L155 HydrophobicContact CB-CD2 4.46Å; N153-L155 HydrophobicContact CB-CG 4Å; N153-L155 PolarHBondContact O-N 3.04Å; L155-C157 PolarHBondContact O-N 3.16Å; L155-I196 WeakPolarHBondContact O-CG2 3.42Å; L155-V539 HydrophobicContact CD1-CG1 3.89Å; L155-V539 HydrophobicContact CD2-CG1 3.81Å; L155-V539 HydrophobicContact CG-CG1 4.23Å
156	P	97.8	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-58	139.8	169.2	-18.1	34.4	0	0	0	108.9	E120 C121 M122 P197 I281 L284 R286	E120-P156 VanDerWaalsContact O-CD 3.27Å; E120-P156 WeakPolarHBondContact O-CD 3.38Å; C121-P156 CarbonylContact C-O 3.49Å; C121-P156 WeakPolarHBondContact CA-O 3.44Å; M122-P156 PolarHBondContact N-O 3.23Å; P156-P197 WeakPolarHBondContact CA-O 3.38Å; P156-P197 HydrophobicContact CB-CB 4.31Å; P156-P197 HydrophobicContact CB-CG 4.5Å; P156-I281 HydrophobicContact CB-CD1 4.22Å; P156-L284 HydrophobicContact CB-CD1 3.98Å; P156-L284 HydrophobicContact CG-CD1 3.93Å; P156-R286 VanDerWaalsContact CG-NH1 3.28Å
157	C	98.8	Very high	97	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	-177.5	-67.3	0	0	0	0	110.2	M122 A150 L155 Y159 P197 I199	M122-C157 CarbonylContact O-C 3.58Å; M122-C157 WeakPolarHBondContact O-CA 3.35Å; A150-C157 WeakPolarHBondContact CB-SG 3.33Å; L155-C157 PolarHBondContact O-N 3.16Å; C157-Y159 HydrophobicContact CB-CD2 4.39Å; C157-Y159 HydrophobicContact CB-CE1 4.49Å; C157-Y159 HydrophobicContact CB-CE2 3.61Å; C157-P197 PolarHBondContact N-O 3.26Å; C157-I199 PolarHBondContact O-N 3.05Å
158	V	98.9	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.2	170.1	-174.3	0	0	0	0	109.2	L80 I116 M122 I123 I124 L160 I199 V201 I281	L80-V158 HydrophobicContact CD2-CB 4.4Å; L80-V158 HydrophobicContact CD2-CG1 3.88Å; I116-V158 HydrophobicContact CD1-CG2 3.9Å; M122-V158 PolarHBondContact O-N 2.79Å; I123-V158 WeakPolarHBondContact CA-O 3.27Å; I124-V158 PolarHBondContact N-O 2.9Å; V158-L160 HydrophobicContact CG1-CD2 4.02Å; V158-I199 CarbonylContact C-O 3.53Å; V158-I199 WeakPolarHBondContact CA-O 3.26Å; V158-I199 HydrophobicContact CG2-CB 4.42Å; V158-V201 HydrophobicContact CG1-CG2 4.19Å; V158-I281 HydrophobicContact CG2-CD1 3.86Å; V158-I281 HydrophobicContact CG2-CG1 4.19Å
159	Y	98.8	Very high	96.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.6	179.5	-55.5	-82.6	0	0	0	110	I124 H143 Q147 C157 V161 Q188 Q198 I199 V201 L213	I124-Y159 HydrophobicContact CB-CD1 3.95Å; I124-Y159 HydrophobicContact CB-CE1 4.41Å; I124-Y159 HydrophobicContact CD1-CD1 3.94Å; I124-Y159 HydrophobicContact CD1-CE1 3.49Å; I124-Y159 VanDerWaalsContact CD1-CE1 3.49Å; I124-Y159 HydrophobicContact CG1-CE1 4.5Å; I124-Y159 HydrophobicContact CG2-CD1 4.21Å; I124-Y159 CarbonylContact O-C 3.51Å; I124-Y159 WeakPolarHBondContact O-CA 3.49Å; H143-Y159 AromaticContact NE2-CD1 3.76Å; H143-Y159 AromaticContact NE2-CE1 3.43Å; H143-Y159 WeakPolarHBondContact NE2-CE1 3.28Å; Q147-Y159 PolarHBondContact NE2-OH 3.47Å; Q147-Y159 VanDerWaalsContact NE2-OH 3.13Å; C157-Y159 HydrophobicContact CB-CD2 4.39Å; C157-Y159 HydrophobicContact CB-CE1 4.49Å; C157-Y159 HydrophobicContact CB-CE2 3.61Å; Y159-V161 PolarHBondContact O-N 3.01Å; Y159-Q188 HydrophobicContact CE2-CG 4.27Å; Y159-Q188 WeakPolarHBondContact OH-CG 3.43Å; Y159-Q198 HydrophobicContact CE2-CB 4.32Å; Y159-Q198 VanDerWaalsContact CE2-OE1 3.28Å; Y159-Q198 PolarHBondContact OH-OE1 3.02Å; Y159-I199 WeakPolarHBondContact CD2-O 3.41Å; Y159-I199 PolarHBondContact N-O 3.49Å; Y159-V201 PolarHBondContact O-N 2.85Å; Y159-L213 HydrophobicContact CD1-CD2 4.08Å; Y159-L213 HydrophobicContact CE1-CD2 4.34Å; Y159-L213 HydrophobicContact CG-CD2 4.38Å
160	L	98.7	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	90.5	173	-51	-179.8	0	0	0	108.7	R76 I77 L80 I123 I124 G125 N126 V158 V201 L203 L274	R76-L160 HydrophobicContact CB-CD1 3.98Å; I77-L160 HydrophobicContact CG1-CD1 3.98Å; L80-L160 HydrophobicContact CD2-CD2 4.31Å; I123-L160 HydrophobicContact CG2-CD1 4.14Å; I123-L160 HydrophobicContact CG2-CG 4.36Å; I124-L160 PolarHBondContact O-N 3.35Å; G125-L160 WeakPolarHBondContact CA-O 3.46Å; N126-L160 PolarHBondContact N-O 3.2Å; V158-L160 HydrophobicContact CG1-CD2 4.02Å; L160-V201 HydrophobicContact CD2-CB 3.91Å; L160-V201 HydrophobicContact CD2-CG2 3.86Å; L160-L203 HydrophobicContact CB-CD1 3.95Å; L160-L203 HydrophobicContact CD2-CD1 4.27Å; L160-L274 HydrophobicContact CD2-CD2 3.98Å
161	V	98.5	Very high	96.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.4	-167.4	-173.3	0	0	0	0	110.9	Y159 V201 L203 G204 C206 L213	Y159-V161 PolarHBondContact O-N 3.01Å; V161-V201 PolarHBondContact N-O 2.8Å; V161-L203 PolarHBondContact O-N 3.18Å; V161-G204 PolarHBondContact O-N 3.21Å; V161-C206 HydrophobicContact CG1-CB 4Å; V161-L213 HydrophobicContact CG1-CD1 4.47Å; V161-L213 HydrophobicContact CG2-CB 4.27Å; V161-L213 HydrophobicContact CG2-CD1 4.4Å
162	D	97.6	Very high	96.4	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	71.4	178.8	-163.4	-1.3	0	0	0	109.7	H65 K70 R76 N126 A128 G204	H65-D162 IonicContact CE1-OD2 2.65Å; K70-D162 VanDerWaalsContact CE-OD2 3.29Å; K70-D162 WeakPolarHBondContact CE-OD2 3.12Å; K70-D162 IonicContact NZ-OD1 2.7Å; K70-D162 PolarHBondContact NZ-OD1 3.48Å; K70-D162 IonicContact NZ-OD2 3.62Å; K70-D162 PolarHBondContact NZ-OD2 3.24Å; R76-D162 IonicContact CZ-OD2 3.04Å; R76-D162 IonicContact NH1-OD2 3.3Å; R76-D162 PolarHBondContact NH1-OD2 2.95Å; R76-D162 IonicContact NH2-OD2 2.97Å; R76-D162 PolarHBondContact NH2-OD2 2.83Å; N126-D162 HydrophobicContact CB-CB 4.46Å; N126-D162 WeakPolarHBondContact CB-O 3.47Å; A128-D162 HydrophobicContact CB-CB 4.31Å; D162-G204 WeakPolarHBondContact OD1-CA 3.21Å
163	S	95.6	Very high	96.4	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.9	-168.8	178.6	0	0	0	0	112.6	G133 Y135 G165 S205	G133-S163 VanDerWaalsContact O-CB 3.31Å; G133-S163 WeakPolarHBondContact O-CB 3.26Å; G133-S163 PolarHBondContact O-OG 2.85Å; Y135-S163 WeakPolarHBondContact CD2-OG 3.35Å; Y135-S163 WeakPolarHBondContact CE2-OG 3.34Å; S163-G165 PolarHBondContact O-N 3Å; S163-G165 VanDerWaalsContact O-N 3.15Å; S163-G165 PolarHBondContact OG-N 3.03Å; S163-S205 CarbonylContact C-O 3.5Å; S163-S205 PolarHBondContact N-O 3.33Å; S163-S205 CarbonylContact O-C 3.44Å
164	G	91.8	Very high	96.5	Very high	42 Å²	42	34.2 Å²	34.2	43%	0.433	22%	0.217	S	C	.	.			trans	-72.1	6.8	172.5	0	0	0	0	0	115.6	G132 T207	G132-G164 PolarHBondContact O-N 2.85Å; G164-T207 WeakPolarHBondContact O-CG2 3.25Å
165	G	93.5	Very high	96.6	Very high	7 Å²	7	38.8 Å²	38.8	7%	0.072	24%	0.236	C	C	.	.			trans	103.4	-154.9	179.7	0	0	0	0	0	113.7	T134 Y135 S163	T134-G165 CarbonylContact C-O 3.49Å; T134-G165 WeakPolarHBondContact CA-O 3.35Å; Y135-G165 PolarHBondContact N-O 3.02Å; S163-G165 PolarHBondContact O-N 3Å; S163-G165 VanDerWaalsContact O-N 3.15Å; S163-G165 PolarHBondContact OG-N 3.03Å
166	A	95.6	Very high	96.6	Very high	36 Å²	36	42.5 Å²	42.5	30%	0.298	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-83.3	152	179.7	0	0	0	0	0	112.5	L168 V174	A166-L168 PolarHBondContact O-N 2.75Å; A166-V174 HydrophobicContact CB-CG1 3.91Å
167	N	95.1	Very high	96.6	Very high	18 Å²	18	47.7 Å²	47.7	10%	0.096	30%	0.296	C	S	.	.			trans	-70.2	97.2	168.1	-174.7	-100.5	0	0	0	109.7	Y135 Y136 A169 R170 Q171	Y135-N167 VanDerWaalsContact O-CB 3.26Å; Y135-N167 WeakPolarHBondContact O-CB 3.42Å; Y135-N167 PolarHBondContact O-N 2.84Å; Y136-N167 HydrophobicContact CD2-CB 4.19Å; Y136-N167 HydrophobicContact CE2-CB 4.2Å; Y136-N167 HydrophobicContact CG-CB 4.36Å; Y136-N167 VanDerWaalsContact CZ-ND2 3.25Å; Y136-N167 PolarHBondContact OH-ND2 3.29Å; N167-A169 PolarHBondContact O-N 3.17Å; N167-R170 CarbonylContact O-C 3.46Å; N167-R170 PolarHBondContact O-N 3.28Å; N167-R170 WeakPolarHBondContact OD1-CB 3.47Å; N167-R170 WeakPolarHBondContact OD1-CG 3.4Å; N167-R170 PolarHBondContact OD1-N 2.83Å; N167-R170 PolarHBondContact OD1-NH1 2.81Å; N167-Q171 PolarHBondContact O-N 2.86Å
168	L	94.3	Very high	96.6	Very high	144 Å²	144	53.6 Å²	53.6	75%	0.754	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-59	-33.7	-173	-62.8	-179.6	0	0	0	113.4	A166 R170 Q171	A166-L168 PolarHBondContact O-N 2.75Å; L168-R170 PolarHBondContact O-N 2.85Å; L168-Q171 WeakPolarHBondContact O-CB 3.26Å; L168-Q171 PolarHBondContact O-N 3.42Å
169	A	95.5	Very high	96.5	Very high	93 Å²	93	60 Å²	60	77%	0.769	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23	177.3	0	0	0	0	0	113.4	N167	N167-A169 PolarHBondContact O-N 3.17Å
170	R	96	Very high	96.5	Very high	68 Å²	68	61.5 Å²	61.5	26%	0.257	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-120.4	23.4	-178.8	-63.6	179.7	179.2	85.2	-5.6	112.6	E102 P137 N167 L168 A172 S173 V174	E102-R170 IonicContact OE1-CZ 3.93Å; E102-R170 IonicContact OE1-NH1 2.78Å; E102-R170 PolarHBondContact OE1-NH1 2.79Å; E102-R170 IonicContact OE1-NH2 2.68Å; E102-R170 PolarHBondContact OE1-NH2 3.18Å; P137-R170 HydrophobicContact CG-CB 4.32Å; N167-R170 CarbonylContact O-C 3.46Å; N167-R170 PolarHBondContact O-N 3.28Å; N167-R170 WeakPolarHBondContact OD1-CB 3.47Å; N167-R170 WeakPolarHBondContact OD1-CG 3.4Å; N167-R170 PolarHBondContact OD1-N 2.83Å; N167-R170 PolarHBondContact OD1-NH1 2.81Å; L168-R170 PolarHBondContact O-N 2.85Å; R170-A172 PolarHBondContact O-N 2.87Å; R170-S173 PolarHBondContact O-N 2.85Å; R170-V174 WeakPolarHBondContact O-CG2 3.29Å
171	Q	96.6	Very high	96.5	Very high	101 Å²	101	62.1 Å²	62.1	47%	0.472	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-54.3	-33.7	-172.2	68.2	78	23.6	0	0	113.7	N167 L168 S173 V174 F175	N167-Q171 PolarHBondContact O-N 2.86Å; L168-Q171 WeakPolarHBondContact O-CB 3.26Å; L168-Q171 PolarHBondContact O-N 3.42Å; Q171-S173 PolarHBondContact O-N 2.98Å; Q171-V174 PolarHBondContact O-N 3.34Å; Q171-F175 WeakPolarHBondContact O-CB 3.39Å; Q171-F175 PolarHBondContact O-N 2.97Å
172	A	97.2	Very high	96.5	Very high	68 Å²	68	63.9 Å²	63.9	56%	0.562	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-60.2	-32.8	179.5	0	0	0	0	0	112.9	R170 H180	R170-A172 PolarHBondContact O-N 2.87Å; A172-H180 PolarHBondContact O-CE1 2.99Å; A172-H180 VanDerWaalsContact O-CE1 3.31Å
173	S	96.5	Very high	96.5	Very high	65 Å²	65	66.5 Å²	66.5	46%	0.455	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-96.1	11.6	177	-54.2	0	0	0	0	113.3	R170 Q171 H180	R170-S173 PolarHBondContact O-N 2.85Å; Q171-S173 PolarHBondContact O-N 2.98Å; S173-H180 VanDerWaalsContact C-CE1 3.47Å; S173-H180 PolarHBondContact O-NE2 3.23Å
174	V	97.4	Very high	96.7	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-29.2	-177.2	173.1	0	0	0	0	112.1	P137 V140 A166 R170 Q171 H180 F181	P137-V174 HydrophobicContact CG-CG2 3.91Å; V140-V174 HydrophobicContact CG2-CG1 3.89Å; A166-V174 HydrophobicContact CB-CG1 3.91Å; R170-V174 WeakPolarHBondContact O-CG2 3.29Å; Q171-V174 PolarHBondContact O-N 3.34Å; V174-H180 VanDerWaalsContact O-CB 3.26Å; V174-H180 WeakPolarHBondContact O-CB 3.13Å; V174-F181 HydrophobicContact CG1-CB 4.35Å; V174-F181 WeakPolarHBondContact O-CB 3.45Å; V174-F181 PolarHBondContact O-N 2.79Å
175	F	97.8	Very high	97	Very high	145 Å²	145	65.2 Å²	65.2	64%	0.636	37%	0.365	S	S	*	.	S	Bend	trans	-102.9	-57.9	-165.7	179.6	-113.8	0	0	0	115.3	Q171 H180	Q171-F175 WeakPolarHBondContact O-CB 3.39Å; Q171-F175 PolarHBondContact O-N 2.97Å; F175-H180 WeakPolarHBondContact O-CB 3.24Å
176	A	96.8	Very high	97.2	Very high	83 Å²	83	69.8 Å²	69.8	69%	0.686	38%	0.383	S	S	*	.	S	Bend	trans	-90	-27.2	-154	0	0	0	0	0	117.8	H180	A176-H180 PolarHBondContact N-ND1 3Å
177	D	98.2	Very high	97.4	Very high	110 Å²	110	68.5 Å²	68.5	59%	0.588	37%	0.372	S	S	*	.	S	Bend	trans	-82.6	166.5	-170.9	-160.3	3.7	0	0	0	113	Y179 H180	D177-Y179 PolarHBondContact O-N 3.23Å; D177-H180 VanDerWaalsContact CB-CE1 3.45Å; D177-H180 WeakPolarHBondContact CB-CE1 3.16Å; D177-H180 PolarHBondContact N-ND1 2.99Å; D177-H180 VanDerWaalsContact O-CB 3.24Å; D177-H180 WeakPolarHBondContact O-CB 3.39Å; D177-H180 PolarHBondContact O-N 2.95Å
178	K	98.2	Very high	97.6	Very high	123 Å²	123	67.7 Å²	67.7	54%	0.535	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.6	-175.7	-178.6	-178.8	177.6	-166.3	0	114	R183	K178-R183 WeakPolarHBondContact O-CB 3.36Å; K178-R183 WeakPolarHBondContact O-CD 3.38Å; K178-R183 WeakPolarHBondContact O-CG 3.24Å
179	Y	97.7	Very high	97.8	Very high	135 Å²	135	63 Å²	63	53%	0.529	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	30.2	-179.5	-59.2	-75.4	0	0	0	112.1	L144 D177 R183	L144-Y179 WeakPolarHBondContact CD1-O 3.33Å; D177-Y179 PolarHBondContact O-N 3.23Å; Y179-R183 HydrophobicContact CD1-CG 4.5Å
180	H	98.6	Very high	97.9	Very high	33 Å²	33	61 Å²	61	15%	0.153	33%	0.325	C	S	.	.	S	Bend	trans	-97.7	-173.2	172.4	-76	-175.6	0	0	0	111.5	A172 S173 V174 F175 A176 D177 G182 R183	A172-H180 PolarHBondContact O-CE1 2.99Å; A172-H180 VanDerWaalsContact O-CE1 3.31Å; S173-H180 VanDerWaalsContact C-CE1 3.47Å; S173-H180 PolarHBondContact O-NE2 3.23Å; V174-H180 VanDerWaalsContact O-CB 3.26Å; V174-H180 WeakPolarHBondContact O-CB 3.13Å; F175-H180 WeakPolarHBondContact O-CB 3.24Å; A176-H180 PolarHBondContact N-ND1 3Å; D177-H180 VanDerWaalsContact CB-CE1 3.45Å; D177-H180 WeakPolarHBondContact CB-CE1 3.16Å; D177-H180 PolarHBondContact N-ND1 2.99Å; D177-H180 VanDerWaalsContact O-CB 3.24Å; D177-H180 WeakPolarHBondContact O-CB 3.39Å; D177-H180 PolarHBondContact O-N 2.95Å; H180-G182 VanDerWaalsContact C-N 3.27Å; H180-G182 PolarHBondContact O-N 3.06Å; H180-G182 VanDerWaalsContact O-N 3.09Å; H180-R183 WeakPolarHBondContact O-CB 3.35Å; H180-R183 PolarHBondContact O-N 2.88Å
181	F	98.1	Very high	98	Very high	14 Å²	14	57.7 Å²	57.7	6%	0.061	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.1	-165.8	-166.1	-104.3	0	0	0	114.2	Y135 V140 V174 R183 I184 F185	Y135-F181 AromaticContact CD1-CD2 3.79Å; Y135-F181 HydrophobicContact CD1-CD2 3.79Å; Y135-F181 AromaticContact CD1-CE2 3.5Å; Y135-F181 HydrophobicContact CD1-CE2 3.5Å; Y135-F181 VanDerWaalsContact CD1-CE2 3.5Å; Y135-F181 HydrophobicContact CD2-CD2 4.46Å; Y135-F181 AromaticContact CD2-CE2 3.54Å; Y135-F181 HydrophobicContact CD2-CE2 3.54Å; Y135-F181 HydrophobicContact CD2-CZ 4.23Å; Y135-F181 HydrophobicContact CE1-CD2 4.24Å; Y135-F181 AromaticContact CE1-CE2 3.7Å; Y135-F181 HydrophobicContact CE1-CE2 3.7Å; Y135-F181 AromaticContact CE2-CE2 3.73Å; Y135-F181 HydrophobicContact CE2-CE2 3.73Å; Y135-F181 HydrophobicContact CE2-CZ 4.26Å; Y135-F181 AromaticContact CG-CD2 3.91Å; Y135-F181 HydrophobicContact CG-CD2 3.91Å; Y135-F181 AromaticContact CG-CE2 3.41Å; Y135-F181 HydrophobicContact CG-CE2 3.41Å; Y135-F181 VanDerWaalsContact CG-CE2 3.41Å; Y135-F181 HydrophobicContact CG-CZ 4.47Å; Y135-F181 AromaticContact CZ-CE2 3.81Å; V140-F181 HydrophobicContact CG2-CB 4.48Å; V140-F181 HydrophobicContact CG2-CD2 4.19Å; V174-F181 HydrophobicContact CG1-CB 4.35Å; V174-F181 WeakPolarHBondContact O-CB 3.45Å; V174-F181 PolarHBondContact O-N 2.79Å; F181-R183 PolarHBondContact O-N 3.31Å; F181-R183 VanDerWaalsContact O-N 3.14Å; F181-I184 HydrophobicContact CD2-CD1 3.84Å; F181-I184 HydrophobicContact CE2-CD1 4.02Å; F181-I184 HydrophobicContact CG-CD1 4.42Å; F181-I184 WeakPolarHBondContact O-CB 3.35Å; F181-I184 WeakPolarHBondContact O-CG1 3.28Å; F181-I184 PolarHBondContact O-N 3.06Å; F181-I184 VanDerWaalsContact O-N 3.11Å; F181-F185 HydrophobicContact CD1-CE2 4.06Å; F181-F185 AromaticContact CD1-CZ 3.81Å; F181-F185 HydrophobicContact CD1-CZ 3.81Å; F181-F185 HydrophobicContact CE1-CE2 4.24Å; F181-F185 AromaticContact CE1-CZ 3.57Å; F181-F185 HydrophobicContact CE1-CZ 3.57Å; F181-F185 HydrophobicContact CZ-CZ 4.39Å
182	G	98.2	Very high	98.1	Very high	39 Å²	39	55 Å²	55	40%	0.402	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	177.8	0	0	0	0	0	114.8	H180 I184 F185 F186	H180-G182 VanDerWaalsContact C-N 3.27Å; H180-G182 PolarHBondContact O-N 3.06Å; H180-G182 VanDerWaalsContact O-N 3.09Å; G182-I184 PolarHBondContact O-N 3.41Å; G182-F185 PolarHBondContact O-N 3.41Å; G182-F186 PolarHBondContact O-N 3.02Å
183	R	98.7	Very high	98.1	Very high	63 Å²	63	60 Å²	60	24%	0.238	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-24.5	176.9	-172.5	63.1	-176.8	-171.9	1.6	112.5	L144 K178 Y179 H180 F181 F185 F186 N187	L144-R183 HydrophobicContact CD1-CB 4.02Å; L144-R183 HydrophobicContact CD1-CG 4.16Å; L144-R183 HydrophobicContact CD2-CB 3.7Å; L144-R183 HydrophobicContact CD2-CG 3.73Å; K178-R183 WeakPolarHBondContact O-CB 3.36Å; K178-R183 WeakPolarHBondContact O-CD 3.38Å; K178-R183 WeakPolarHBondContact O-CG 3.24Å; Y179-R183 HydrophobicContact CD1-CG 4.5Å; H180-R183 WeakPolarHBondContact O-CB 3.35Å; H180-R183 PolarHBondContact O-N 2.88Å; F181-R183 PolarHBondContact O-N 3.31Å; F181-R183 VanDerWaalsContact O-N 3.14Å; R183-F185 VanDerWaalsContact C-N 3.31Å; R183-F185 PolarHBondContact O-N 3.07Å; R183-F186 PolarHBondContact O-N 2.91Å; R183-N187 PolarHBondContact NE-OD1 2.96Å; R183-N187 WeakPolarHBondContact O-CB 3.19Å; R183-N187 VanDerWaalsContact O-CG 3.25Å; R183-N187 PolarHBondContact O-N 2.84Å
184	I	98.7	Very high	98.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-47.1	176.2	-65.5	168.8	0	0	0	110	Y135 H143 L144 Q147 F181 G182 N187 Q188 L213	Y135-I184 HydrophobicContact CE1-CD1 4.12Å; H143-I184 HydrophobicContact CB-CD1 4.12Å; H143-I184 HydrophobicContact CB-CG1 4.49Å; L144-I184 HydrophobicContact CD2-CB 4.45Å; L144-I184 HydrophobicContact CD2-CG1 3.66Å; L144-I184 HydrophobicContact CG-CG1 4.36Å; Q147-I184 PolarHBondContact NE2-O 2.72Å; F181-I184 HydrophobicContact CD2-CD1 3.84Å; F181-I184 HydrophobicContact CE2-CD1 4.02Å; F181-I184 HydrophobicContact CG-CD1 4.42Å; F181-I184 WeakPolarHBondContact O-CB 3.35Å; F181-I184 WeakPolarHBondContact O-CG1 3.28Å; F181-I184 PolarHBondContact O-N 3.06Å; F181-I184 VanDerWaalsContact O-N 3.11Å; G182-I184 PolarHBondContact O-N 3.41Å; I184-N187 PolarHBondContact O-N 3.43Å; I184-Q188 WeakPolarHBondContact O-CG 3.38Å; I184-Q188 PolarHBondContact O-N 3.36Å; I184-L213 HydrophobicContact CG2-CD2 3.69Å; I184-L213 HydrophobicContact CG2-CG 4.48Å
185	F	98.4	Very high	97.9	Very high	24 Å²	24	64.4 Å²	64.4	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-70.3	-40.7	-179	-44.6	-46.1	0	0	0	112.1	F181 G182 R183 N187 Q188 A189 G209 Y212 L213 M216	F181-F185 HydrophobicContact CD1-CE2 4.06Å; F181-F185 AromaticContact CD1-CZ 3.81Å; F181-F185 HydrophobicContact CD1-CZ 3.81Å; F181-F185 HydrophobicContact CE1-CE2 4.24Å; F181-F185 AromaticContact CE1-CZ 3.57Å; F181-F185 HydrophobicContact CE1-CZ 3.57Å; F181-F185 HydrophobicContact CZ-CZ 4.39Å; G182-F185 PolarHBondContact O-N 3.41Å; R183-F185 VanDerWaalsContact C-N 3.31Å; R183-F185 PolarHBondContact O-N 3.07Å; F185-N187 VanDerWaalsContact C-N 3.28Å; F185-N187 PolarHBondContact O-N 3.09Å; F185-Q188 PolarHBondContact O-N 3.16Å; F185-A189 PolarHBondContact O-N 3.11Å; F185-G209 WeakPolarHBondContact CE1-O 3.25Å; F185-G209 WeakPolarHBondContact CZ-O 3.26Å; F185-Y212 HydrophobicContact CD2-CD2 4.15Å; F185-Y212 HydrophobicContact CE2-CD2 4.03Å; F185-Y212 HydrophobicContact CZ-CD2 4.35Å; F185-L213 HydrophobicContact CE1-CG 4.28Å; F185-M216 HydrophobicContact CB-CE 3.99Å; F185-M216 HydrophobicContact CB-SD 3.74Å; F185-M216 HydrophobicContact CG-SD 4.36Å; F185-M216 VanDerWaalsContact O-CE 3.31Å; F185-M216 WeakPolarHBondContact O-CE 3.32Å
186	F	98.7	Very high	97.9	Very high	103 Å²	103	57.6 Å²	57.6	45%	0.452	32%	0.315	S	S	.	.	H	α-helix	trans	-56.8	-45.1	173	177.2	-83	0	0	0	111	G182 R183 N190	G182-F186 PolarHBondContact O-N 3.02Å; R183-F186 PolarHBondContact O-N 2.91Å; F186-N190 VanDerWaalsContact CE1-ND2 3.28Å; F186-N190 WeakPolarHBondContact CE1-ND2 3.47Å; F186-N190 VanDerWaalsContact CZ-ND2 3.32Å; F186-N190 WeakPolarHBondContact CZ-ND2 3.37Å; F186-N190 PolarHBondContact O-N 3.38Å; F186-N190 VanDerWaalsContact O-N 3.15Å; F186-N190 PolarHBondContact O-ND2 2.94Å
187	N	98.8	Very high	97.9	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-67.1	-43.6	178.5	-70.7	-13.3	0	0	0	111.5	Q147 M151 R183 I184 F185 A189 N190 M191	Q147-N187 HydrophobicContact CB-CB 4.26Å; Q147-N187 VanDerWaalsContact OE1-CB 3.3Å; Q147-N187 PolarHBondContact OE1-ND2 3.21Å; M151-N187 HydrophobicContact CE-CB 4.21Å; R183-N187 PolarHBondContact NE-OD1 2.96Å; R183-N187 WeakPolarHBondContact O-CB 3.19Å; R183-N187 VanDerWaalsContact O-CG 3.25Å; R183-N187 PolarHBondContact O-N 2.84Å; I184-N187 PolarHBondContact O-N 3.43Å; F185-N187 VanDerWaalsContact C-N 3.28Å; F185-N187 PolarHBondContact O-N 3.09Å; N187-A189 PolarHBondContact O-N 3.05Å; N187-N190 PolarHBondContact O-N 3.09Å; N187-M191 HydrophobicContact CB-CE 4.35Å; N187-M191 WeakPolarHBondContact O-CB 3.46Å; N187-M191 WeakPolarHBondContact O-CG 3.32Å; N187-M191 PolarHBondContact O-N 2.96Å
188	Q	98.6	Very high	98	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55	-52	175.8	-75.9	179.6	-74.6	0	0	111.6	Y159 I184 F185 N190 M191 S192 L213	Y159-Q188 HydrophobicContact CE2-CG 4.27Å; Y159-Q188 WeakPolarHBondContact OH-CG 3.43Å; I184-Q188 WeakPolarHBondContact O-CG 3.38Å; I184-Q188 PolarHBondContact O-N 3.36Å; F185-Q188 PolarHBondContact O-N 3.16Å; Q188-N190 VanDerWaalsContact C-N 3.34Å; Q188-N190 PolarHBondContact O-N 2.9Å; Q188-M191 PolarHBondContact O-N 3.47Å; Q188-S192 WeakPolarHBondContact O-CB 3.1Å; Q188-S192 PolarHBondContact O-N 2.91Å; Q188-L213 PolarHBondContact NE2-O 3.15Å
189	A	98.7	Very high	98	Very high	45 Å²	45	43.4 Å²	43.4	37%	0.372	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-41.2	-179.8	0	0	0	0	0	112.7	F185 N187 K193 M216	F185-A189 PolarHBondContact O-N 3.11Å; N187-A189 PolarHBondContact O-N 3.05Å; A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 PolarHBondContact O-N 2.79Å; A189-M216 HydrophobicContact CB-CE 3.76Å
190	N	98.6	Very high	98	Very high	51 Å²	51	37 Å²	37	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-73.1	-35	178.6	-78	-80.5	0	0	0	112.6	F186 N187 Q188 K193 L194	F186-N190 VanDerWaalsContact CE1-ND2 3.28Å; F186-N190 WeakPolarHBondContact CE1-ND2 3.47Å; F186-N190 VanDerWaalsContact CZ-ND2 3.32Å; F186-N190 WeakPolarHBondContact CZ-ND2 3.37Å; F186-N190 PolarHBondContact O-N 3.38Å; F186-N190 VanDerWaalsContact O-N 3.15Å; F186-N190 PolarHBondContact O-ND2 2.94Å; N187-N190 PolarHBondContact O-N 3.09Å; Q188-N190 VanDerWaalsContact C-N 3.34Å; Q188-N190 PolarHBondContact O-N 2.9Å; N190-K193 PolarHBondContact O-N 2.91Å; N190-L194 VanDerWaalsContact O-CG 3.25Å; N190-L194 WeakPolarHBondContact O-CG 3.41Å; N190-L194 PolarHBondContact O-N 3.39Å
191	M	98.3	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-45.3	173.8	-76.2	-169.7	-66.4	0	0	111.4	Q147 A150 M151 N187 Q188 K193 L194 G195 I196	Q147-M191 HydrophobicContact CB-CE 3.96Å; Q147-M191 HydrophobicContact CG-CE 3.86Å; A150-M191 HydrophobicContact CB-SD 4.09Å; M151-M191 HydrophobicContact CB-CG 4.01Å; M151-M191 HydrophobicContact CB-SD 3.96Å; M151-M191 HydrophobicContact CE-CG 4.25Å; M151-M191 HydrophobicContact CG-CG 3.99Å; N187-M191 HydrophobicContact CB-CE 4.35Å; N187-M191 WeakPolarHBondContact O-CB 3.46Å; N187-M191 WeakPolarHBondContact O-CG 3.32Å; N187-M191 PolarHBondContact O-N 2.96Å; Q188-M191 PolarHBondContact O-N 3.47Å; M191-K193 VanDerWaalsContact C-N 3.34Å; M191-K193 PolarHBondContact O-N 3.23Å; M191-L194 CarbonylContact O-C 3.5Å; M191-L194 WeakPolarHBondContact O-CA 3.39Å; M191-L194 WeakPolarHBondContact O-CB 3.47Å; M191-L194 PolarHBondContact O-N 3.05Å; M191-G195 PolarHBondContact O-N 2.94Å; M191-I196 CarbonylContact C-O 3.49Å; M191-I196 HydrophobicContact CB-CB 4.06Å; M191-I196 HydrophobicContact CB-CG2 4.4Å; M191-I196 HydrophobicContact CG-CD1 4.33Å; M191-I196 WeakPolarHBondContact O-CB 3.26Å; M191-I196 PolarHBondContact O-N 3.4Å
192	S	98.2	Very high	98.1	Very high	43 Å²	43	34.7 Å²	34.7	30%	0.301	20%	0.199	S	C	.	.	H	α-helix	trans	-57.1	-46.6	173	173.3	0	0	0	0	111.1	Q188 L194 G195 D218	Q188-S192 WeakPolarHBondContact O-CB 3.1Å; Q188-S192 PolarHBondContact O-N 2.91Å; S192-L194 PolarHBondContact O-N 2.64Å; S192-G195 WeakPolarHBondContact O-CA 3.28Å; S192-G195 PolarHBondContact O-N 3.28Å; S192-D218 VanDerWaalsContact CB-OD1 3.3Å; S192-D218 WeakPolarHBondContact CB-OD1 3.49Å; S192-D218 PolarHBondContact OG-OD1 3.01Å
193	K	97.4	Very high	98.1	Very high	174 Å²	174	32.9 Å²	32.9	76%	0.757	18%	0.18	S	C	*	.	H	α-helix	trans	-56.1	-35	173	176.6	-176.8	174.6	-176.3	0	113.7	A189 N190 M191 G195	A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 PolarHBondContact O-N 2.79Å; N190-K193 PolarHBondContact O-N 2.91Å; M191-K193 VanDerWaalsContact C-N 3.34Å; M191-K193 PolarHBondContact O-N 3.23Å; K193-G195 PolarHBondContact O-N 3.3Å
194	L	95	Very high	98	Very high	103 Å²	103	30 Å²	30	54%	0.539	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.6	177	-70.1	170.1	0	0	0	113	M151 N190 M191 S192 I196	M151-L194 HydrophobicContact CG-CD1 4.3Å; N190-L194 VanDerWaalsContact O-CG 3.25Å; N190-L194 WeakPolarHBondContact O-CG 3.41Å; N190-L194 PolarHBondContact O-N 3.39Å; M191-L194 CarbonylContact O-C 3.5Å; M191-L194 WeakPolarHBondContact O-CA 3.39Å; M191-L194 WeakPolarHBondContact O-CB 3.47Å; M191-L194 PolarHBondContact O-N 3.05Å; S192-L194 PolarHBondContact O-N 2.64Å; L194-I196 VanDerWaalsContact C-N 3.34Å; L194-I196 HydrophobicContact CB-CD1 4.2Å; L194-I196 HydrophobicContact CB-CG1 4.25Å; L194-I196 HydrophobicContact CD1-CD1 4.5Å
195	G	95.1	Very high	97.8	Very high	56 Å²	56	31.9 Å²	31.9	58%	0.577	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	26.3	-175.6	0	0	0	0	0	113.1	M191 S192 K193 P197	M191-G195 PolarHBondContact O-N 2.94Å; S192-G195 WeakPolarHBondContact O-CA 3.28Å; S192-G195 PolarHBondContact O-N 3.28Å; K193-G195 PolarHBondContact O-N 3.3Å; G195-P197 WeakPolarHBondContact O-CD 3.44Å
196	I	96.6	Very high	97.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.179	C	C	.	.			trans	-97.9	105.9	173.8	-57.9	171.4	0	0	0	107.7	H154 L155 M191 L194 Q198	H154-I196 HydrophobicContact CB-CD1 4.41Å; H154-I196 HydrophobicContact CB-CG1 4.46Å; L155-I196 WeakPolarHBondContact O-CG2 3.42Å; M191-I196 CarbonylContact C-O 3.49Å; M191-I196 HydrophobicContact CB-CB 4.06Å; M191-I196 HydrophobicContact CB-CG2 4.4Å; M191-I196 HydrophobicContact CG-CD1 4.33Å; M191-I196 WeakPolarHBondContact O-CB 3.26Å; M191-I196 PolarHBondContact O-N 3.4Å; L194-I196 VanDerWaalsContact C-N 3.34Å; L194-I196 HydrophobicContact CB-CD1 4.2Å; L194-I196 HydrophobicContact CB-CG1 4.25Å; L194-I196 HydrophobicContact CD1-CD1 4.5Å; I196-Q198 PolarHBondContact O-NE2 3.19Å
197	P	98	Very high	97.3	Very high	17 Å²	17	27.3 Å²	27.3	11%	0.11	17%	0.166	C	C	.	.			trans	-63.3	140.4	-169.5	-26.3	37.8	0	0	0	113.6	P156 C157 G195 D218 L284	P156-P197 WeakPolarHBondContact CA-O 3.38Å; P156-P197 HydrophobicContact CB-CB 4.31Å; P156-P197 HydrophobicContact CB-CG 4.5Å; C157-P197 PolarHBondContact N-O 3.26Å; G195-P197 WeakPolarHBondContact O-CD 3.44Å; P197-D218 VanDerWaalsContact CA-OD2 3.26Å; P197-D218 WeakPolarHBondContact CA-OD2 3.39Å; P197-L284 HydrophobicContact CB-CD1 4.15Å; P197-L284 HydrophobicContact CB-CD2 3.56Å; P197-L284 HydrophobicContact CB-CG 4.45Å; P197-L284 HydrophobicContact CG-CD1 3.94Å; P197-L284 HydrophobicContact CG-CD2 3.62Å; P197-L284 HydrophobicContact CG-CG 4.21Å
198	Q	98.7	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.8	179.5	-54.6	-58.9	-67.9	0	0	109.2	Y159 I196 A217 D218 E219	Y159-Q198 HydrophobicContact CE2-CB 4.32Å; Y159-Q198 VanDerWaalsContact CE2-OE1 3.28Å; Y159-Q198 PolarHBondContact OH-OE1 3.02Å; I196-Q198 PolarHBondContact O-NE2 3.19Å; Q198-A217 HydrophobicContact CB-CB 4.49Å; Q198-A217 CarbonylContact O-C 3.57Å; Q198-A217 WeakPolarHBondContact O-CB 3.37Å; Q198-D218 PolarHBondContact N-OD2 2.95Å; Q198-D218 PolarHBondContact O-N 2.83Å; Q198-E219 PolarHBondContact O-N 3.37Å
199	I	98.8	Very high	96.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.7	179.9	-52.1	-61.3	0	0	0	109.2	C157 V158 Y159 E219 I221 A280 I281	C157-I199 PolarHBondContact O-N 3.05Å; V158-I199 CarbonylContact C-O 3.53Å; V158-I199 WeakPolarHBondContact CA-O 3.26Å; V158-I199 HydrophobicContact CG2-CB 4.42Å; Y159-I199 WeakPolarHBondContact CD2-O 3.41Å; Y159-I199 PolarHBondContact N-O 3.49Å; I199-E219 WeakPolarHBondContact CA-O 3.4Å; I199-E219 HydrophobicContact CD1-CB 3.82Å; I199-E219 HydrophobicContact CD1-CG 4.24Å; I199-I221 HydrophobicContact CG2-CD1 4.27Å; I199-A280 HydrophobicContact CD1-CB 4.05Å; I199-A280 HydrophobicContact CG2-CB 4.42Å; I199-I281 HydrophobicContact CG1-CD1 3.98Å
200	A	98.8	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.9	175.6	0	0	0	0	0	111.7	P214 A217 E219 S220 I221	A200-P214 HydrophobicContact CB-CB 4.01Å; A200-A217 HydrophobicContact CB-CB 3.65Å; A200-E219 PolarHBondContact N-O 2.87Å; A200-S220 WeakPolarHBondContact O-CA 3.36Å; A200-I221 PolarHBondContact O-N 3.12Å
201	V	98.8	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	102.9	176.1	-164.6	0	0	0	0	108.2	V158 Y159 L160 V161 L203 I221 A273 A277	V158-V201 HydrophobicContact CG1-CG2 4.19Å; Y159-V201 PolarHBondContact O-N 2.85Å; L160-V201 HydrophobicContact CD2-CB 3.91Å; L160-V201 HydrophobicContact CD2-CG2 3.86Å; V161-V201 PolarHBondContact N-O 2.8Å; V201-L203 HydrophobicContact CB-CG 4.44Å; V201-L203 HydrophobicContact CG1-CD1 4.34Å; V201-L203 HydrophobicContact CG1-CD2 3.63Å; V201-L203 HydrophobicContact CG1-CG 3.88Å; V201-L203 PolarHBondContact O-N 3Å; V201-I221 CarbonylContact C-O 3.57Å; V201-I221 WeakPolarHBondContact CA-O 3.34Å; V201-I221 HydrophobicContact CG1-CB 4.31Å; V201-I221 HydrophobicContact CG1-CG2 4.28Å; V201-I221 HydrophobicContact CG2-CD1 4.14Å; V201-A273 HydrophobicContact CG1-CB 3.79Å; V201-A277 HydrophobicContact CG2-CB 3.77Å
202	V	98.6	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	99.3	-179.8	-173.8	0	0	0	0	109.2	G204 C206 P214 I221 I222 V223 V229	V202-G204 WeakPolarHBondContact CG1-O 3.45Å; V202-C206 HydrophobicContact CG1-CB 4.28Å; V202-P214 HydrophobicContact CG2-CB 3.69Å; V202-P214 HydrophobicContact CG2-CG 3.88Å; V202-I221 PolarHBondContact N-O 2.86Å; V202-I222 HydrophobicContact CB-CB 4.22Å; V202-I222 HydrophobicContact CB-CD1 4.44Å; V202-I222 HydrophobicContact CB-CG1 4.02Å; V202-I222 HydrophobicContact CG1-CD1 4.25Å; V202-I222 HydrophobicContact CG1-CG1 4.17Å; V202-V223 PolarHBondContact O-N 2.94Å; V202-V223 VanDerWaalsContact O-N 3.1Å; V202-V229 HydrophobicContact CG1-CG2 3.95Å; V202-V229 HydrophobicContact CG2-CG2 4.01Å
203	L	98.3	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	3.9	-176.1	-58.2	168.1	0	0	0	111.8	K70 R76 L160 V161 V201 V223 E270 A273	K70-L203 WeakPolarHBondContact CE-O 3.27Å; K70-L203 PolarHBondContact NZ-O 3.38Å; R76-L203 VanDerWaalsContact CD-CD1 3.49Å; R76-L203 HydrophobicContact CG-CD1 4.27Å; L160-L203 HydrophobicContact CB-CD1 3.95Å; L160-L203 HydrophobicContact CD2-CD1 4.27Å; V161-L203 PolarHBondContact O-N 3.18Å; V201-L203 HydrophobicContact CB-CG 4.44Å; V201-L203 HydrophobicContact CG1-CD1 4.34Å; V201-L203 HydrophobicContact CG1-CD2 3.63Å; V201-L203 HydrophobicContact CG1-CG 3.88Å; V201-L203 PolarHBondContact O-N 3Å; L203-V223 HydrophobicContact CD2-CG2 3.71Å; L203-E270 HydrophobicContact CD2-CB 4.19Å; L203-E270 HydrophobicContact CD2-CG 3.99Å; L203-A273 HydrophobicContact CD2-CB 4.06Å
204	G	97	Very high	96	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-152.3	-174	0	0	0	0	0	112.5	V161 D162 V202 S226 G227 T228	V161-G204 PolarHBondContact O-N 3.21Å; D162-G204 WeakPolarHBondContact OD1-CA 3.21Å; V202-G204 WeakPolarHBondContact CG1-O 3.45Å; G204-S226 CarbonylContact C-O 3.59Å; G204-S226 VanDerWaalsContact CA-O 3.25Å; G204-S226 WeakPolarHBondContact CA-O 3.15Å; G204-G227 WeakPolarHBondContact O-CA 3.44Å; G204-T228 PolarHBondContact O-N 2.99Å
205	S	94.3	Very high	96.1	Very high	41 Å²	41	18.9 Å²	18.9	29%	0.287	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.4	178.4	-163.8	0	0	0	0	111.2	S163	S163-S205 CarbonylContact C-O 3.5Å; S163-S205 PolarHBondContact N-O 3.33Å; S163-S205 CarbonylContact O-C 3.44Å
206	C	95	Very high	96.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	88.1	175	-170.6	0	0	0	0	108.2	V161 V202 G210 A211 T228 V229 F230	V161-C206 HydrophobicContact CG1-CB 4Å; V202-C206 HydrophobicContact CG1-CB 4.28Å; C206-G210 PolarHBondContact SG-O 3.11Å; C206-A211 VanDerWaalsContact SG-CA 3.59Å; C206-T228 WeakPolarHBondContact CA-O 3.18Å; C206-T228 WeakPolarHBondContact CB-O 3.39Å; C206-T228 PolarHBondContact N-O 3.2Å; C206-V229 HydrophobicContact CB-CG2 4.09Å; C206-V229 WeakPolarHBondContact O-CA 3.09Å; C206-F230 PolarHBondContact O-N 3.02Å; C206-F230 VanDerWaalsContact O-N 3.09Å
207	T	91.4	Very high	96.4	Very high	29 Å²	29	20.1 Å²	20.1	18%	0.178	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.5	-167.9	-172.4	0	0	0	0	113.1	G164 G209 G210 F230	G164-T207 WeakPolarHBondContact O-CG2 3.25Å; T207-G209 PolarHBondContact O-N 3.41Å; T207-G210 PolarHBondContact O-N 3.28Å; T207-F230 CarbonylContact C-O 3.56Å; T207-F230 WeakPolarHBondContact CA-O 3.33Å; T207-F230 WeakPolarHBondContact OG1-CE2 3.13Å
208	A	92	Very high	96.4	Very high	42 Å²	42	22.8 Å²	22.8	35%	0.347	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	55	-129.3	174.8	0	0	0	0	0	112.2	G210 A211 F230 L231	A208-G210 PolarHBondContact O-N 3.29Å; A208-G210 VanDerWaalsContact O-N 3.1Å; A208-A211 WeakPolarHBondContact O-CB 3.36Å; A208-A211 PolarHBondContact O-N 3.06Å; A208-F230 PolarHBondContact N-O 3.33Å; A208-L231 VanDerWaalsContact CA-O 3.24Å; A208-L231 WeakPolarHBondContact CA-O 3.48Å
209	G	87.6	Confident	96.4	Very high	28 Å²	28	25.3 Å²	25.3	29%	0.289	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-55.6	-30.1	178.4	0	0	0	0	0	112.8	F185 T207 A211 Y212	F185-G209 WeakPolarHBondContact CE1-O 3.25Å; F185-G209 WeakPolarHBondContact CZ-O 3.26Å; T207-G209 PolarHBondContact O-N 3.41Å; G209-A211 PolarHBondContact O-N 2.87Å; G209-Y212 PolarHBondContact O-N 3.44Å
210	G	93	Very high	96.4	Very high	8 Å²	8	25.3 Å²	25.3	8%	0.082	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60	-27.4	178.1	0	0	0	0	0	113.1	C206 T207 A208 Y212 L213	C206-G210 PolarHBondContact SG-O 3.11Å; T207-G210 PolarHBondContact O-N 3.28Å; A208-G210 PolarHBondContact O-N 3.29Å; A208-G210 VanDerWaalsContact O-N 3.1Å; G210-Y212 PolarHBondContact O-N 3.38Å; G210-L213 WeakPolarHBondContact O-CB 3.35Å; G210-L213 PolarHBondContact O-N 2.94Å
211	A	96.6	Very high	96.4	Very high	6 Å²	6	25.3 Å²	25.3	5%	0.05	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-58.3	-22.6	179.8	0	0	0	0	0	113.6	C206 A208 G209 L213 P214 A215 V229 L231	C206-A211 VanDerWaalsContact SG-CA 3.59Å; A208-A211 WeakPolarHBondContact O-CB 3.36Å; A208-A211 PolarHBondContact O-N 3.06Å; G209-A211 PolarHBondContact O-N 2.87Å; A211-L213 VanDerWaalsContact C-N 3.3Å; A211-L213 PolarHBondContact O-N 3.37Å; A211-P214 WeakPolarHBondContact O-CD 3.25Å; A211-P214 WeakPolarHBondContact O-CG 3.27Å; A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 3.14Å; A211-V229 HydrophobicContact CB-CG1 3.76Å; A211-L231 HydrophobicContact CB-CD2 4.19Å
212	Y	97.7	Very high	96.4	Very high	106 Å²	106	25.3 Å²	25.3	42%	0.416	16%	0.155	S	C	.	.	H	α-helix	trans	-73.1	-18.3	175	-64.9	-45.1	0	0	0	114	F185 G209 G210 A215 M216 L231	F185-Y212 HydrophobicContact CD2-CD2 4.15Å; F185-Y212 HydrophobicContact CE2-CD2 4.03Å; F185-Y212 HydrophobicContact CZ-CD2 4.35Å; G209-Y212 PolarHBondContact O-N 3.44Å; G210-Y212 PolarHBondContact O-N 3.38Å; Y212-A215 PolarHBondContact O-N 3.43Å; Y212-M216 VanDerWaalsContact O-CB 3.25Å; Y212-M216 WeakPolarHBondContact O-CB 3.4Å; Y212-M216 WeakPolarHBondContact O-CG 3.42Å; Y212-M216 PolarHBondContact O-N 3.42Å; Y212-L231 HydrophobicContact CE1-CD2 4.15Å
213	L	96.8	Very high	96.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-56.7	-56.9	175	-84.7	165.1	0	0	0	111.9	Y159 V161 I184 F185 Q188 G210 A211 A217	Y159-L213 HydrophobicContact CD1-CD2 4.08Å; Y159-L213 HydrophobicContact CE1-CD2 4.34Å; Y159-L213 HydrophobicContact CG-CD2 4.38Å; V161-L213 HydrophobicContact CG1-CD1 4.47Å; V161-L213 HydrophobicContact CG2-CB 4.27Å; V161-L213 HydrophobicContact CG2-CD1 4.4Å; I184-L213 HydrophobicContact CG2-CD2 3.69Å; I184-L213 HydrophobicContact CG2-CG 4.48Å; F185-L213 HydrophobicContact CE1-CG 4.28Å; Q188-L213 PolarHBondContact NE2-O 3.15Å; G210-L213 WeakPolarHBondContact O-CB 3.35Å; G210-L213 PolarHBondContact O-N 2.94Å; A211-L213 VanDerWaalsContact C-N 3.3Å; A211-L213 PolarHBondContact O-N 3.37Å; L213-A217 PolarHBondContact O-N 3.48Å
214	P	97.9	Very high	96.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-71.6	-40	173.1	26.7	-33.6	0	0	0	112.8	A200 V202 A211 M216 A217 S220 V229	A200-P214 HydrophobicContact CB-CB 4.01Å; V202-P214 HydrophobicContact CG2-CB 3.69Å; V202-P214 HydrophobicContact CG2-CG 3.88Å; A211-P214 WeakPolarHBondContact O-CD 3.25Å; A211-P214 WeakPolarHBondContact O-CG 3.27Å; P214-M216 PolarHBondContact O-N 2.8Å; P214-M216 VanDerWaalsContact O-N 3.11Å; P214-A217 WeakPolarHBondContact O-CB 3.41Å; P214-A217 PolarHBondContact O-N 3.28Å; P214-A217 VanDerWaalsContact O-N 3.11Å; P214-S220 VanDerWaalsContact C-OG 3.28Å; P214-S220 VanDerWaalsContact CA-OG 3.29Å; P214-S220 WeakPolarHBondContact CA-OG 3.42Å; P214-S220 WeakPolarHBondContact CB-OG 3.47Å; P214-S220 PolarHBondContact O-OG 2.87Å; P214-V229 HydrophobicContact CG-CG1 4.06Å; P214-V229 HydrophobicContact CG-CG2 3.93Å
215	A	98.3	Very high	96.2	Very high	55 Å²	55	33.3 Å²	33.3	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-67.1	-16.5	-175.7	0	0	0	0	0	114.4	A211 Y212 V262	A211-A215 WeakPolarHBondContact O-CB 3.49Å; A211-A215 PolarHBondContact O-N 3.14Å; Y212-A215 PolarHBondContact O-N 3.43Å; A215-V262 HydrophobicContact CB-CG1 4.22Å
216	M	98.3	Very high	96.2	Very high	66 Å²	66	33 Å²	33	33%	0.325	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	9.5	175.7	-61.6	179.9	55.3	0	0	113.3	F185 A189 Y212 P214	F185-M216 HydrophobicContact CB-CE 3.99Å; F185-M216 HydrophobicContact CB-SD 3.74Å; F185-M216 HydrophobicContact CG-SD 4.36Å; F185-M216 VanDerWaalsContact O-CE 3.31Å; F185-M216 WeakPolarHBondContact O-CE 3.32Å; A189-M216 HydrophobicContact CB-CE 3.76Å; Y212-M216 VanDerWaalsContact O-CB 3.25Å; Y212-M216 WeakPolarHBondContact O-CB 3.4Å; Y212-M216 WeakPolarHBondContact O-CG 3.42Å; Y212-M216 PolarHBondContact O-N 3.42Å; P214-M216 PolarHBondContact O-N 2.8Å; P214-M216 VanDerWaalsContact O-N 3.11Å
217	A	98.3	Very high	96.3	Very high	18 Å²	18	32.9 Å²	32.9	15%	0.149	20%	0.204	C	C	.	.	S	Bend	trans	-77	154.2	169.1	0	0	0	0	0	110	Q198 A200 L213 P214	Q198-A217 HydrophobicContact CB-CB 4.49Å; Q198-A217 CarbonylContact O-C 3.57Å; Q198-A217 WeakPolarHBondContact O-CB 3.37Å; A200-A217 HydrophobicContact CB-CB 3.65Å; L213-A217 PolarHBondContact O-N 3.48Å; P214-A217 WeakPolarHBondContact O-CB 3.41Å; P214-A217 PolarHBondContact O-N 3.28Å; P214-A217 VanDerWaalsContact O-N 3.11Å
218	D	98.4	Very high	96.6	Very high	72 Å²	72	32.1 Å²	32.1	39%	0.385	20%	0.199	S	C	.	.	S	Bend	trans	-71.3	-35	175.5	-56.6	-41	0	0	0	110.9	S192 P197 Q198	S192-D218 VanDerWaalsContact CB-OD1 3.3Å; S192-D218 WeakPolarHBondContact CB-OD1 3.49Å; S192-D218 PolarHBondContact OG-OD1 3.01Å; P197-D218 VanDerWaalsContact CA-OD2 3.26Å; P197-D218 WeakPolarHBondContact CA-OD2 3.39Å; Q198-D218 PolarHBondContact N-OD2 2.95Å; Q198-D218 PolarHBondContact O-N 2.83Å
219	E	98.6	Very high	96.9	Very high	53 Å²	53	30.3 Å²	30.3	25%	0.248	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.6	168.1	-60.6	-176.7	-105.9	0	0	110.7	Q198 I199 A200 D264 H265	Q198-E219 PolarHBondContact O-N 3.37Å; I199-E219 WeakPolarHBondContact CA-O 3.4Å; I199-E219 HydrophobicContact CD1-CB 3.82Å; I199-E219 HydrophobicContact CD1-CG 4.24Å; A200-E219 PolarHBondContact N-O 2.87Å; E219-D264 WeakPolarHBondContact CA-OD2 3.3Å; E219-H265 IonicContact OE2-CD2 2.67Å; E219-H265 IonicContact OE2-CE1 3.94Å; E219-H265 IonicContact OE2-NE2 2.7Å; E219-H265 PolarHBondContact OE2-NE2 2.87Å
220	S	98.6	Very high	97.3	Very high	1 Å²	1	30 Å²	30	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.2	-175	-91.5	0	0	0	0	112.1	A200 P214 D264 H265	A200-S220 WeakPolarHBondContact O-CA 3.36Å; P214-S220 VanDerWaalsContact C-OG 3.28Å; P214-S220 VanDerWaalsContact CA-OG 3.29Å; P214-S220 WeakPolarHBondContact CA-OG 3.42Å; P214-S220 WeakPolarHBondContact CB-OG 3.47Å; P214-S220 PolarHBondContact O-OG 2.87Å; S220-D264 PolarHBondContact N-OD2 2.9Å; S220-D264 PolarHBondContact O-N 3.29Å; S220-H265 PolarHBondContact O-N 2.73Å
221	I	98.8	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.9	179	-59.4	149.3	0	0	0	108.6	I199 A200 V201 V202 H265 A267 A273 I276 A277	I199-I221 HydrophobicContact CG2-CD1 4.27Å; A200-I221 PolarHBondContact O-N 3.12Å; V201-I221 CarbonylContact C-O 3.57Å; V201-I221 WeakPolarHBondContact CA-O 3.34Å; V201-I221 HydrophobicContact CG1-CB 4.31Å; V201-I221 HydrophobicContact CG1-CG2 4.28Å; V201-I221 HydrophobicContact CG2-CD1 4.14Å; V202-I221 PolarHBondContact N-O 2.86Å; I221-H265 WeakPolarHBondContact CA-O 3.31Å; I221-H265 HydrophobicContact CB-CB 4.21Å; I221-H265 HydrophobicContact CG1-CB 3.69Å; I221-H265 HydrophobicContact CG2-CB 4.31Å; I221-A267 HydrophobicContact CG2-CB 4.03Å; I221-A273 HydrophobicContact CG2-CB 3.82Å; I221-I276 HydrophobicContact CD1-CB 4.13Å; I221-I276 HydrophobicContact CD1-CG2 3.8Å; I221-I276 HydrophobicContact CG1-CB 4.34Å; I221-I276 HydrophobicContact CG1-CG2 3.77Å; I221-I276 HydrophobicContact CG2-CD1 4.4Å; I221-A277 VanDerWaalsContact CD1-CA 3.47Å; I221-A277 HydrophobicContact CD1-CB 3.71Å
222	I	98.7	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.3	177.7	-172.4	162.4	0	0	0	111.6	V202 V229 A253 C257 T263 H265 A267	V202-I222 HydrophobicContact CB-CB 4.22Å; V202-I222 HydrophobicContact CB-CD1 4.44Å; V202-I222 HydrophobicContact CB-CG1 4.02Å; V202-I222 HydrophobicContact CG1-CD1 4.25Å; V202-I222 HydrophobicContact CG1-CG1 4.17Å; I222-V229 HydrophobicContact CD1-CG2 4.16Å; I222-A253 HydrophobicContact CB-CB 4.46Å; I222-A253 HydrophobicContact CD1-CB 4.38Å; I222-A253 HydrophobicContact CG1-CB 4Å; I222-A253 HydrophobicContact CG2-CB 3.78Å; I222-C257 WeakPolarHBondContact CG2-SG 3.3Å; I222-T263 HydrophobicContact CB-CG2 4.04Å; I222-T263 HydrophobicContact CD1-CG2 4.3Å; I222-T263 HydrophobicContact CG2-CG2 4.11Å; I222-T263 VanDerWaalsContact CG2-OG1 3.31Å; I222-T263 WeakPolarHBondContact CG2-OG1 3.43Å; I222-H265 PolarHBondContact N-O 2.88Å; I222-A267 WeakPolarHBondContact O-CB 3.37Å; I222-A267 PolarHBondContact O-N 3.29Å
223	V	98.5	Very high	96.8	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.5	176.9	-179.7	0	0	0	0	110.4	V202 L203 G225 S226 G227 A267 E270 A273	V202-V223 PolarHBondContact O-N 2.94Å; V202-V223 VanDerWaalsContact O-N 3.1Å; L203-V223 HydrophobicContact CD2-CG2 3.71Å; V223-G225 PolarHBondContact O-N 3.4Å; V223-S226 WeakPolarHBondContact CB-OG 3.26Å; V223-S226 VanDerWaalsContact CG1-OG 3.26Å; V223-S226 WeakPolarHBondContact CG1-OG 3.36Å; V223-S226 PolarHBondContact O-N 3.33Å; V223-G227 WeakPolarHBondContact O-CA 3.48Å; V223-G227 PolarHBondContact O-N 2.8Å; V223-A267 HydrophobicContact CG2-CB 4.18Å; V223-E270 HydrophobicContact CG2-CG 4.46Å; V223-A273 HydrophobicContact CG2-CB 3.55Å
224	K	97.3	Very high	96.6	Very high	107 Å²	107	31.4 Å²	31.4	47%	0.465	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	132.9	173.5	-175.8	-168.6	-168.9	165.3	0	112.3	S226 A253 Y266 A267	K224-S226 PolarHBondContact O-N 3.15Å; K224-S226 VanDerWaalsContact O-N 3.12Å; K224-A253 HydrophobicContact CB-CB 4.29Å; K224-Y266 HydrophobicContact CB-CE1 4.06Å; K224-Y266 HydrophobicContact CB-CE2 4.48Å; K224-Y266 HydrophobicContact CD-CE1 4.14Å; K224-Y266 WeakPolarHBondContact CD-OH 3.36Å; K224-Y266 WeakPolarHBondContact CE-OH 3.4Å; K224-Y266 HydrophobicContact CG-CE1 4.37Å; K224-Y266 WeakPolarHBondContact CG-OH 3.28Å; K224-A267 WeakPolarHBondContact CB-O 3.48Å; K224-A267 PolarHBondContact N-O 3.5Å
225	G	94.6	Very high	96.3	Very high	60 Å²	60	36.2 Å²	36.2	62%	0.619	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	-7.7	170.5	0	0	0	0	0	115.5	V223 E248	V223-G225 PolarHBondContact O-N 3.4Å; G225-E248 WeakPolarHBondContact CA-OE2 3.39Å
226	S	94.3	Very high	96	Very high	34 Å²	34	38.4 Å²	38.4	24%	0.238	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-37.1	175.1	70.4	0	0	0	0	112.8	G204 V223 K224	G204-S226 CarbonylContact C-O 3.59Å; G204-S226 VanDerWaalsContact CA-O 3.25Å; G204-S226 WeakPolarHBondContact CA-O 3.15Å; V223-S226 WeakPolarHBondContact CB-OG 3.26Å; V223-S226 VanDerWaalsContact CG1-OG 3.26Å; V223-S226 WeakPolarHBondContact CG1-OG 3.36Å; V223-S226 PolarHBondContact O-N 3.33Å; K224-S226 PolarHBondContact O-N 3.15Å; K224-S226 VanDerWaalsContact O-N 3.12Å
227	G	96.8	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.218	C	C	.	.			trans	-76	128.1	176.1	0	0	0	0	0	111.5	G204 V223	G204-G227 WeakPolarHBondContact O-CA 3.44Å; V223-G227 WeakPolarHBondContact O-CA 3.48Å; V223-G227 PolarHBondContact O-N 2.8Å
228	T	97.8	Very high	95.7	Very high	13 Å²	13	41.9 Å²	41.9	8%	0.08	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.8	175	48.8	0	0	0	0	111.1	G204 C206 F230 A247 G251	G204-T228 PolarHBondContact O-N 2.99Å; C206-T228 WeakPolarHBondContact CA-O 3.18Å; C206-T228 WeakPolarHBondContact CB-O 3.39Å; C206-T228 PolarHBondContact N-O 3.2Å; T228-F230 HydrophobicContact CG2-CE1 4.41Å; T228-A247 HydrophobicContact CG2-CB 4.06Å; T228-A247 WeakPolarHBondContact CG2-O 3.4Å; T228-G251 CarbonylContact C-O 3.59Å; T228-G251 WeakPolarHBondContact CA-O 3.42Å
229	V	98	Very high	95.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126	179.1	-175.9	0	0	0	0	109.5	V202 C206 A211 P214 I222 G251 H256 V262	V202-V229 HydrophobicContact CG1-CG2 3.95Å; V202-V229 HydrophobicContact CG2-CG2 4.01Å; C206-V229 HydrophobicContact CB-CG2 4.09Å; C206-V229 WeakPolarHBondContact O-CA 3.09Å; A211-V229 HydrophobicContact CB-CG1 3.76Å; P214-V229 HydrophobicContact CG-CG1 4.06Å; P214-V229 HydrophobicContact CG-CG2 3.93Å; I222-V229 HydrophobicContact CD1-CG2 4.16Å; V229-G251 PolarHBondContact N-O 3.05Å; V229-G251 WeakPolarHBondContact O-CA 3.46Å; V229-H256 PolarHBondContact O-NE2 3.07Å; V229-V262 HydrophobicContact CG1-CG1 4.32Å
230	F	96.2	Very high	95.3	Very high	22 Å²	22	43.5 Å²	43.5	10%	0.096	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	149.1	174.5	36.1	-111.5	0	0	0	112.1	C206 T207 A208 T228 G232 G233 A247 L250	C206-F230 PolarHBondContact O-N 3.02Å; C206-F230 VanDerWaalsContact O-N 3.09Å; T207-F230 CarbonylContact C-O 3.56Å; T207-F230 WeakPolarHBondContact CA-O 3.33Å; T207-F230 WeakPolarHBondContact OG1-CE2 3.13Å; A208-F230 PolarHBondContact N-O 3.33Å; T228-F230 HydrophobicContact CG2-CE1 4.41Å; F230-G232 VanDerWaalsContact C-N 3.32Å; F230-G233 VanDerWaalsContact CD2-N 3.29Å; F230-A247 HydrophobicContact CE1-CB 4.22Å; F230-L250 HydrophobicContact CB-CD2 4.44Å; F230-L250 HydrophobicContact CB-CG 4.37Å; F230-L250 HydrophobicContact CD1-CD2 4.13Å; F230-L250 HydrophobicContact CD1-CG 4.21Å; F230-L250 HydrophobicContact CG-CD2 4.27Å
231	L	94.7	Very high	95.1	Very high	108 Å²	108	49.3 Å²	49.3	57%	0.565	30%	0.297	S	S	*	.	S	Bend	trans	-73.8	-24.9	173.5	-68.3	176.1	0	0	0	112.8	A208 A211 Y212	A208-L231 VanDerWaalsContact CA-O 3.24Å; A208-L231 WeakPolarHBondContact CA-O 3.48Å; A211-L231 HydrophobicContact CB-CD2 4.19Å; Y212-L231 HydrophobicContact CE1-CD2 4.15Å
232	G	90.5	Very high	94.9	Very high	15 Å²	15	51.9 Å²	51.9	16%	0.155	32%	0.323	C	S	.	.	S	Bend	trans	-141.2	116.7	172.1	0	0	0	0	0	109	F230 V237 L250	F230-G232 VanDerWaalsContact C-N 3.32Å; G232-V237 WeakPolarHBondContact O-CG2 3.43Å; G232-L250 WeakPolarHBondContact O-CD2 3.31Å
233	G	91.4	Very high	94.7	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	34%	0.344	C	S	.	.			trans	-68.8	173.3	178	0	0	0	0	0	113	F230 P235 L236 V237	F230-G233 VanDerWaalsContact CD2-N 3.29Å; G233-P235 VanDerWaalsContact C-N 3.27Å; G233-P235 VanDerWaalsContact O-N 3.09Å; G233-L236 WeakPolarHBondContact O-CA 3.32Å; G233-L236 PolarHBondContact O-N 3.29Å; G233-V237 PolarHBondContact O-N 3.46Å
234	P	92.9	Very high	94.5	Very high	22 Å²	22	63.9 Å²	63.9	14%	0.143	38%	0.379	C	S	.	.	H	α-helix	trans	-49.7	-38.2	-178.9	-28.4	35.7	0	0	0	115.2	L236 R238 V245 A247 L250	P234-L236 PolarHBondContact O-N 2.84Å; P234-R238 VanDerWaalsContact O-CB 3.29Å; P234-R238 WeakPolarHBondContact O-CB 3.26Å; P234-R238 PolarHBondContact O-N 3.11Å; P234-V245 WeakPolarHBondContact CB-O 3.41Å; P234-A247 HydrophobicContact CG-CB 4.04Å; P234-L250 HydrophobicContact CG-CD2 4Å
235	P	91.9	Very high	94.5	Very high	101 Å²	101	60.1 Å²	60.1	66%	0.656	37%	0.365	S	S	*	.	H	α-helix	trans	-62.8	-38.6	174.4	-23.3	35.2	0	0	0	113.7	G233 A239	G233-P235 VanDerWaalsContact C-N 3.27Å; G233-P235 VanDerWaalsContact O-N 3.09Å; P235-A239 WeakPolarHBondContact O-CB 3.24Å; P235-A239 PolarHBondContact O-N 3.25Å; P235-A239 VanDerWaalsContact O-N 3.07Å
236	L	91.7	Very high	94.5	Very high	102 Å²	102	59.7 Å²	59.7	53%	0.534	35%	0.353	S	S	.	.	H	α-helix	trans	-74	-42.4	179.6	-175.3	61.3	0	0	0	111.2	G233 P234 R238 A239 A240	G233-L236 WeakPolarHBondContact O-CA 3.32Å; G233-L236 PolarHBondContact O-N 3.29Å; P234-L236 PolarHBondContact O-N 2.84Å; L236-R238 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 3.01Å; L236-A239 PolarHBondContact O-N 3.38Å; L236-A240 VanDerWaalsContact O-CB 3.29Å; L236-A240 WeakPolarHBondContact O-CB 3.46Å; L236-A240 PolarHBondContact O-N 3.39Å
237	V	94.4	Very high	94.5	Very high	21 Å²	21	60 Å²	60	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-58.8	-47.3	175.7	170.3	0	0	0	0	110.7	G232 G233 A239 A240 I241 E243 V245 L250	G232-V237 WeakPolarHBondContact O-CG2 3.43Å; G233-V237 PolarHBondContact O-N 3.46Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.2Å; V237-A240 PolarHBondContact O-N 3.4Å; V237-I241 HydrophobicContact CG1-CD1 4.19Å; V237-I241 HydrophobicContact CG1-CG1 4.12Å; V237-I241 VanDerWaalsContact O-CG1 3.28Å; V237-I241 WeakPolarHBondContact O-CG1 3.32Å; V237-I241 PolarHBondContact O-N 2.9Å; V237-E243 HydrophobicContact CG1-CB 3.84Å; V237-E243 HydrophobicContact CG1-CG 4.29Å; V237-V245 HydrophobicContact CG1-CG1 4.12Å; V237-L250 HydrophobicContact CG2-CD1 4.27Å; V237-L250 HydrophobicContact CG2-CD2 3.87Å
238	R	94.9	Very high	94.5	Very high	135 Å²	135	62.4 Å²	62.4	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-43.8	175.2	-173.6	-176.8	-59.9	167.6	0.5	112.2	P234 L236 G242 E243	P234-R238 VanDerWaalsContact O-CB 3.29Å; P234-R238 WeakPolarHBondContact O-CB 3.26Å; P234-R238 PolarHBondContact O-N 3.11Å; L236-R238 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 3.01Å; R238-G242 WeakPolarHBondContact O-CA 3.47Å; R238-G242 PolarHBondContact O-N 2.83Å; R238-E243 WeakPolarHBondContact CA-O 3.29Å
239	A	94.2	Very high	94.4	Very high	85 Å²	85	67.2 Å²	67.2	70%	0.702	39%	0.393	S	S	*	.	H	α-helix	trans	-68.6	-34.2	-179.7	0	0	0	0	0	112.9	P235 L236 V237	P235-A239 WeakPolarHBondContact O-CB 3.24Å; P235-A239 PolarHBondContact O-N 3.25Å; P235-A239 VanDerWaalsContact O-N 3.07Å; L236-A239 PolarHBondContact O-N 3.38Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 3.2Å
240	A	95.1	Very high	94.3	Very high	74 Å²	74	69 Å²	69	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-83.3	-42.4	-175.4	0	0	0	0	0	113.3	L236 V237	L236-A240 VanDerWaalsContact O-CB 3.29Å; L236-A240 WeakPolarHBondContact O-CB 3.46Å; L236-A240 PolarHBondContact O-N 3.39Å; V237-A240 PolarHBondContact O-N 3.4Å
241	I	95	Very high	94.4	Very high	124 Å²	124	68 Å²	68	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-133.2	1.7	-171.3	62.5	167.7	0	0	0	114.3	V237 E243	V237-I241 HydrophobicContact CG1-CD1 4.19Å; V237-I241 HydrophobicContact CG1-CG1 4.12Å; V237-I241 VanDerWaalsContact O-CG1 3.28Å; V237-I241 WeakPolarHBondContact O-CG1 3.32Å; V237-I241 PolarHBondContact O-N 2.9Å; I241-E243 HydrophobicContact CD1-CB 4.04Å; I241-E243 WeakPolarHBondContact CD1-OE2 3.4Å; I241-E243 HydrophobicContact CG1-CB 4.05Å; I241-E243 PolarHBondContact O-N 2.7Å
242	G	93.8	Very high	94.5	Very high	53 Å²	53	62.8 Å²	62.8	55%	0.546	37%	0.371	S	S	.	.			trans	78.8	-2.8	176.9	0	0	0	0	0	115.7	R238	R238-G242 WeakPolarHBondContact O-CA 3.47Å; R238-G242 PolarHBondContact O-N 2.83Å
243	E	95	Very high	94.9	Very high	94 Å²	94	62.1 Å²	62.1	44%	0.439	36%	0.364	S	S	.	.			trans	-67.9	135.3	-179.6	-179.5	-176.7	167.6	0	0	111.8	V237 R238 I241 V245	V237-E243 HydrophobicContact CG1-CB 3.84Å; V237-E243 HydrophobicContact CG1-CG 4.29Å; R238-E243 WeakPolarHBondContact CA-O 3.29Å; I241-E243 HydrophobicContact CD1-CB 4.04Å; I241-E243 WeakPolarHBondContact CD1-OE2 3.4Å; I241-E243 HydrophobicContact CG1-CB 4.05Å; I241-E243 PolarHBondContact O-N 2.7Å; E243-V245 HydrophobicContact CG-CB 4.39Å
244	Q	94.8	Very high	95.2	Very high	162 Å²	162	64.1 Å²	64.1	76%	0.757	37%	0.373	S	S	*	.			trans	-103.9	105	172.2	-63.9	-169.2	11.7	0	0	109.5
245	V	95.7	Very high	95.4	Very high	28 Å²	28	65.2 Å²	65.2	17%	0.17	38%	0.377	C	S	.	.			trans	-129.5	146.7	-179.9	64.2	0	0	0	0	109.5	P234 V237 E243 D249 L250	P234-V245 WeakPolarHBondContact CB-O 3.41Å; V237-V245 HydrophobicContact CG1-CG1 4.12Å; E243-V245 HydrophobicContact CG-CB 4.39Å; V245-D249 HydrophobicContact CG2-CB 3.81Å; V245-L250 HydrophobicContact CG1-CB 3.98Å; V245-L250 HydrophobicContact CG1-CD1 4.1Å; V245-L250 HydrophobicContact CG1-CD2 3.97Å; V245-L250 HydrophobicContact CG1-CG 4.24Å; V245-L250 HydrophobicContact CG2-CB 3.93Å
246	S	95.4	Very high	95.8	Very high	51 Å²	51	61 Å²	61	36%	0.357	35%	0.349	S	S	.	.			trans	-76.7	161.8	174.5	84.7	0	0	0	0	110.7	E248 D249 L250	S246-E248 VanDerWaalsContact C-N 3.28Å; S246-E248 PolarHBondContact O-N 3.03Å; S246-E248 PolarHBondContact OG-N 3.04Å; S246-D249 WeakPolarHBondContact CB-OD2 3.43Å; S246-D249 PolarHBondContact O-N 2.64Å; S246-D249 WeakPolarHBondContact OG-CB 3.32Å; S246-D249 PolarHBondContact OG-N 3.38Å; S246-D249 PolarHBondContact OG-OD2 3.47Å; S246-L250 WeakPolarHBondContact O-CB 3.27Å; S246-L250 PolarHBondContact O-N 2.91Å
247	A	95	Very high	96.1	Very high	39 Å²	39	57.9 Å²	57.9	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-33.1	176.9	0	0	0	0	0	112.4	T228 F230 P234 G251	T228-A247 HydrophobicContact CG2-CB 4.06Å; T228-A247 WeakPolarHBondContact CG2-O 3.4Å; F230-A247 HydrophobicContact CE1-CB 4.22Å; P234-A247 HydrophobicContact CG-CB 4.04Å; A247-G251 PolarHBondContact O-N 3.31Å
248	E	95.7	Very high	96.2	Very high	52 Å²	52	63.8 Å²	63.8	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-71.8	-42.1	177.7	-171.6	66.4	-156.5	0	0	111.2	G225 S246 L250 G252 A253	G225-E248 WeakPolarHBondContact CA-OE2 3.39Å; S246-E248 VanDerWaalsContact C-N 3.28Å; S246-E248 PolarHBondContact O-N 3.03Å; S246-E248 PolarHBondContact OG-N 3.04Å; E248-L250 VanDerWaalsContact C-N 3.33Å; E248-L250 PolarHBondContact O-N 3.26Å; E248-G252 WeakPolarHBondContact O-CA 3.5Å; E248-G252 PolarHBondContact O-N 2.91Å; E248-A253 PolarHBondContact OE1-N 3.01Å
249	D	96.3	Very high	96.4	Very high	113 Å²	113	64.7 Å²	64.7	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-70.7	-32.6	178.8	-59	-43.4	0	0	0	111.9	V245 S246	V245-D249 HydrophobicContact CG2-CB 3.81Å; S246-D249 WeakPolarHBondContact CB-OD2 3.43Å; S246-D249 PolarHBondContact O-N 2.64Å; S246-D249 WeakPolarHBondContact OG-CB 3.32Å; S246-D249 PolarHBondContact OG-N 3.38Å; S246-D249 PolarHBondContact OG-OD2 3.47Å
250	L	96.6	Very high	96.5	Very high	42 Å²	42	63.6 Å²	63.6	22%	0.22	36%	0.356	C	S	.	.	H	α-helix	trans	-75.8	-31.3	-179.5	-177.6	59.1	0	0	0	113.4	F230 G232 P234 V237 V245 S246 E248 L255	F230-L250 HydrophobicContact CB-CD2 4.44Å; F230-L250 HydrophobicContact CB-CG 4.37Å; F230-L250 HydrophobicContact CD1-CD2 4.13Å; F230-L250 HydrophobicContact CD1-CG 4.21Å; F230-L250 HydrophobicContact CG-CD2 4.27Å; G232-L250 WeakPolarHBondContact O-CD2 3.31Å; P234-L250 HydrophobicContact CG-CD2 4Å; V237-L250 HydrophobicContact CG2-CD1 4.27Å; V237-L250 HydrophobicContact CG2-CD2 3.87Å; V245-L250 HydrophobicContact CG1-CB 3.98Å; V245-L250 HydrophobicContact CG1-CD1 4.1Å; V245-L250 HydrophobicContact CG1-CD2 3.97Å; V245-L250 HydrophobicContact CG1-CG 4.24Å; V245-L250 HydrophobicContact CG2-CB 3.93Å; S246-L250 WeakPolarHBondContact O-CB 3.27Å; S246-L250 PolarHBondContact O-N 2.91Å; E248-L250 VanDerWaalsContact C-N 3.33Å; E248-L250 PolarHBondContact O-N 3.26Å; L250-L255 WeakPolarHBondContact O-CD2 3.41Å
251	G	97.5	Very high	96.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-169.7	29.2	-169.7	0	0	0	0	0	115	T228 V229 A247 H256	T228-G251 CarbonylContact C-O 3.59Å; T228-G251 WeakPolarHBondContact CA-O 3.42Å; V229-G251 PolarHBondContact N-O 3.05Å; V229-G251 WeakPolarHBondContact O-CA 3.46Å; A247-G251 PolarHBondContact O-N 3.31Å; G251-H256 VanDerWaalsContact CA-NE2 3.31Å; G251-H256 WeakPolarHBondContact CA-NE2 3.39Å; G251-H256 PolarHBondContact O-CD2 2.84Å; G251-H256 PolarHBondContact O-NE2 2.98Å
252	G	97.6	Very high	96.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.336	C	S	.	.			trans	-75.5	-179.8	178.3	0	0	0	0	0	113.9	E248 D254 L255 H256	E248-G252 WeakPolarHBondContact O-CA 3.5Å; E248-G252 PolarHBondContact O-N 2.91Å; G252-D254 VanDerWaalsContact C-N 3.32Å; G252-D254 PolarHBondContact O-N 3.36Å; G252-L255 PolarHBondContact O-N 2.83Å; G252-H256 PolarHBondContact O-CD2 3.03Å; G252-H256 PolarHBondContact O-N 2.77Å; G252-H256 VanDerWaalsContact O-N 3.09Å
253	A	98	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-39.8	-179.1	0	0	0	0	0	112.4	I222 K224 E248 H256 C257 Y266	I222-A253 HydrophobicContact CB-CB 4.46Å; I222-A253 HydrophobicContact CD1-CB 4.38Å; I222-A253 HydrophobicContact CG1-CB 4Å; I222-A253 HydrophobicContact CG2-CB 3.78Å; K224-A253 HydrophobicContact CB-CB 4.29Å; E248-A253 PolarHBondContact OE1-N 3.01Å; A253-H256 PolarHBondContact O-N 3.03Å; A253-C257 WeakPolarHBondContact O-CB 3.29Å; A253-C257 PolarHBondContact O-N 3.43Å; A253-Y266 HydrophobicContact CB-CD2 3.89Å; A253-Y266 HydrophobicContact CB-CE2 3.63Å
254	D	97.9	Very high	97.2	Very high	49 Å²	49	56.5 Å²	56.5	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-42.9	180	-83.3	-84.5	0	0	0	111.4	G252 K258 Y266	G252-D254 VanDerWaalsContact C-N 3.32Å; G252-D254 PolarHBondContact O-N 3.36Å; D254-K258 WeakPolarHBondContact O-CB 3.43Å; D254-K258 WeakPolarHBondContact O-CG 3.16Å; D254-K258 PolarHBondContact O-N 3.37Å; D254-K258 VanDerWaalsContact O-N 3.13Å; D254-K258 VanDerWaalsContact OD1-CE 3.28Å; D254-K258 WeakPolarHBondContact OD1-CE 3.42Å; D254-K258 IonicContact OD1-NZ 3.93Å; D254-K258 PolarHBondContact OD1-NZ 3.24Å; D254-Y266 PolarHBondContact OD1-OH 3.5Å; D254-Y266 PolarHBondContact OD2-OH 2.89Å
255	L	98.1	Very high	97.4	Very high	44 Å²	44	51.5 Å²	51.5	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-50.1	176	-173.5	96.7	0	0	0	111.2	L250 G252 Q259 S260	L250-L255 WeakPolarHBondContact O-CD2 3.41Å; G252-L255 PolarHBondContact O-N 2.83Å; L255-Q259 WeakPolarHBondContact O-CB 3.28Å; L255-Q259 PolarHBondContact O-N 3.38Å; L255-S260 PolarHBondContact O-N 2.79Å
256	H	98.5	Very high	97.5	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.065	29%	0.293	C	S	.	.	I	π-helix	trans	-75.7	-36.3	-170.6	-70.4	-51.5	0	0	0	114.7	V229 G251 G252 A253 S260 G261 V262 T263	V229-H256 PolarHBondContact O-NE2 3.07Å; G251-H256 VanDerWaalsContact CA-NE2 3.31Å; G251-H256 WeakPolarHBondContact CA-NE2 3.39Å; G251-H256 PolarHBondContact O-CD2 2.84Å; G251-H256 PolarHBondContact O-NE2 2.98Å; G252-H256 PolarHBondContact O-CD2 3.03Å; G252-H256 PolarHBondContact O-N 2.77Å; G252-H256 VanDerWaalsContact O-N 3.09Å; A253-H256 PolarHBondContact O-N 3.03Å; H256-S260 WeakPolarHBondContact CA-OG 3.49Å; H256-S260 PolarHBondContact ND1-OG 3.03Å; H256-G261 WeakPolarHBondContact O-CA 3.37Å; H256-G261 PolarHBondContact O-N 3.41Å; H256-V262 HydrophobicContact CB-CB 4.21Å; H256-V262 WeakPolarHBondContact ND1-CB 3.28Å; H256-V262 PolarHBondContact O-N 3.44Å; H256-T263 HydrophobicContact CB-CG2 4.06Å; H256-T263 WeakPolarHBondContact CB-OG1 3.38Å
257	C	98	Very high	97.7	Very high	36 Å²	36	50.4 Å²	50.4	24%	0.243	28%	0.276	C	S	.	.	I	π-helix	trans	-81.4	-29	176.1	-70.2	0	0	0	0	113.9	I222 A253 T263 Y266	I222-C257 WeakPolarHBondContact CG2-SG 3.3Å; A253-C257 WeakPolarHBondContact O-CB 3.29Å; A253-C257 PolarHBondContact O-N 3.43Å; C257-T263 PolarHBondContact SG-OG1 2.88Å; C257-Y266 HydrophobicContact CB-CD2 3.96Å
258	K	97.9	Very high	97.8	Very high	144 Å²	144	54.2 Å²	54.2	63%	0.626	29%	0.29	S	S	*	.	I	π-helix	trans	-103.2	-22.4	-172.9	-55.8	177.4	171.9	171.3	0	114.7	D254	D254-K258 WeakPolarHBondContact O-CB 3.43Å; D254-K258 WeakPolarHBondContact O-CG 3.16Å; D254-K258 PolarHBondContact O-N 3.37Å; D254-K258 VanDerWaalsContact O-N 3.13Å; D254-K258 VanDerWaalsContact OD1-CE 3.28Å; D254-K258 WeakPolarHBondContact OD1-CE 3.42Å; D254-K258 IonicContact OD1-NZ 3.93Å; D254-K258 PolarHBondContact OD1-NZ 3.24Å
259	Q	97.9	Very high	97.9	Very high	155 Å²	155	55.5 Å²	55.5	72%	0.724	30%	0.299	S	S	*	.	I	π-helix	trans	-122.5	-59.1	-173.9	-59.6	-177.2	3.4	0	0	112.6	L255	L255-Q259 WeakPolarHBondContact O-CB 3.28Å; L255-Q259 PolarHBondContact O-N 3.38Å
260	S	97.7	Very high	98	Very high	61 Å²	61	50.7 Å²	50.7	43%	0.427	27%	0.273	S	S	.	.	I	π-helix	trans	-83.5	-26.1	-171	70.9	0	0	0	0	114.9	L255 H256 V262	L255-S260 PolarHBondContact O-N 2.79Å; H256-S260 WeakPolarHBondContact CA-OG 3.49Å; H256-S260 PolarHBondContact ND1-OG 3.03Å; S260-V262 VanDerWaalsContact C-N 3.29Å; S260-V262 PolarHBondContact O-N 3.21Å; S260-V262 WeakPolarHBondContact OG-CG2 3.33Å; S260-V262 PolarHBondContact OG-N 3.03Å
261	G	98	Very high	98.1	Very high	52 Å²	52	55.1 Å²	55.1	54%	0.536	29%	0.29	S	S	.	.			trans	71.8	16.2	-174.9	0	0	0	0	0	114.9	H256 T263	H256-G261 WeakPolarHBondContact O-CA 3.37Å; H256-G261 PolarHBondContact O-N 3.41Å; G261-T263 PolarHBondContact O-N 3.45Å
262	V	98.2	Very high	98.1	Very high	48 Å²	48	58.3 Å²	58.3	29%	0.291	31%	0.305	S	S	.	.	S	Bend	trans	-68.6	-23.9	176.8	172.1	0	0	0	0	112.2	A215 V229 H256 S260	A215-V262 HydrophobicContact CB-CG1 4.22Å; V229-V262 HydrophobicContact CG1-CG1 4.32Å; H256-V262 HydrophobicContact CB-CB 4.21Å; H256-V262 WeakPolarHBondContact ND1-CB 3.28Å; H256-V262 PolarHBondContact O-N 3.44Å; S260-V262 VanDerWaalsContact C-N 3.29Å; S260-V262 PolarHBondContact O-N 3.21Å; S260-V262 WeakPolarHBondContact OG-CG2 3.33Å; S260-V262 PolarHBondContact OG-N 3.03Å
263	T	98.4	Very high	98.2	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	31%	0.305	C	S	.	.			trans	-132.6	138.8	178.4	57.6	0	0	0	0	110	I222 H256 C257 G261	I222-T263 HydrophobicContact CB-CG2 4.04Å; I222-T263 HydrophobicContact CD1-CG2 4.3Å; I222-T263 HydrophobicContact CG2-CG2 4.11Å; I222-T263 VanDerWaalsContact CG2-OG1 3.31Å; I222-T263 WeakPolarHBondContact CG2-OG1 3.43Å; H256-T263 HydrophobicContact CB-CG2 4.06Å; H256-T263 WeakPolarHBondContact CB-OG1 3.38Å; C257-T263 PolarHBondContact SG-OG1 2.88Å; G261-T263 PolarHBondContact O-N 3.45Å
264	D	98.6	Very high	98.2	Very high	93 Å²	93	58.5 Å²	58.5	50%	0.497	31%	0.306	S	S	.	.	S	Bend	trans	-90.1	-34.6	-169.5	-46.7	-73.1	0	0	0	113	E219 S220	E219-D264 WeakPolarHBondContact CA-OD2 3.3Å; S220-D264 PolarHBondContact N-OD2 2.9Å; S220-D264 PolarHBondContact O-N 3.29Å
265	H	98.6	Very high	98.2	Very high	57 Å²	57	60.5 Å²	60.5	26%	0.264	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.1	-169.8	-59.5	-79.4	0	0	0	112.9	E219 S220 I221 I222 I276	E219-H265 IonicContact OE2-CD2 2.67Å; E219-H265 IonicContact OE2-CE1 3.94Å; E219-H265 IonicContact OE2-NE2 2.7Å; E219-H265 PolarHBondContact OE2-NE2 2.87Å; S220-H265 PolarHBondContact O-N 2.73Å; I221-H265 WeakPolarHBondContact CA-O 3.31Å; I221-H265 HydrophobicContact CB-CB 4.21Å; I221-H265 HydrophobicContact CG1-CB 3.69Å; I221-H265 HydrophobicContact CG2-CB 4.31Å; I222-H265 PolarHBondContact N-O 2.88Å; H265-I276 HydrophobicContact CB-CD1 4.46Å; H265-I276 HydrophobicContact CB-CG2 3.87Å
266	Y	98.5	Very high	98.2	Very high	57 Å²	57	59.3 Å²	59.3	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.2	179.9	-169.5	-87.3	0	0	0	111.4	K224 A253 D254 C257 L268	K224-Y266 HydrophobicContact CB-CE1 4.06Å; K224-Y266 HydrophobicContact CB-CE2 4.48Å; K224-Y266 HydrophobicContact CD-CE1 4.14Å; K224-Y266 WeakPolarHBondContact CD-OH 3.36Å; K224-Y266 WeakPolarHBondContact CE-OH 3.4Å; K224-Y266 HydrophobicContact CG-CE1 4.37Å; K224-Y266 WeakPolarHBondContact CG-OH 3.28Å; A253-Y266 HydrophobicContact CB-CD2 3.89Å; A253-Y266 HydrophobicContact CB-CE2 3.63Å; D254-Y266 PolarHBondContact OD1-OH 3.5Å; D254-Y266 PolarHBondContact OD2-OH 2.89Å; C257-Y266 HydrophobicContact CB-CD2 3.96Å; Y266-L268 HydrophobicContact CD1-CD2 4.38Å; Y266-L268 HydrophobicContact CE1-CD2 4.08Å
267	A	98.6	Very high	98.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.4	178.2	0	0	0	0	0	112.3	I221 I222 V223 K224 A273 I276	I221-A267 HydrophobicContact CG2-CB 4.03Å; I222-A267 WeakPolarHBondContact O-CB 3.37Å; I222-A267 PolarHBondContact O-N 3.29Å; V223-A267 HydrophobicContact CG2-CB 4.18Å; K224-A267 WeakPolarHBondContact CB-O 3.48Å; K224-A267 PolarHBondContact N-O 3.5Å; A267-A273 HydrophobicContact CB-CB 3.54Å; A267-I276 HydrophobicContact CB-CD1 4.1Å
268	L	97.8	Very high	98.3	Very high	118 Å²	118	59 Å²	59	62%	0.618	30%	0.301	S	S	*	.	S	Bend	trans	-84.5	-30.7	-177.6	-62	178.6	0	0	0	112.7	Y266 H272	Y266-L268 HydrophobicContact CD1-CD2 4.38Å; Y266-L268 HydrophobicContact CE1-CD2 4.08Å; L268-H272 PolarHBondContact N-ND1 2.89Å; L268-H272 VanDerWaalsContact N-ND1 3.19Å
269	D	97.6	Very high	98.3	Very high	80 Å²	80	55.2 Å²	55.2	43%	0.428	29%	0.287	S	S	.	.	S	Bend	trans	-155.1	179.3	176.2	63.6	31.7	0	0	0	109.4	K271 H272 A273	D269-K271 VanDerWaalsContact C-N 3.32Å; D269-K271 PolarHBondContact O-N 2.77Å; D269-K271 WeakPolarHBondContact OD1-CA 3.45Å; D269-K271 WeakPolarHBondContact OD1-CB 3.48Å; D269-K271 PolarHBondContact OD1-N 3.13Å; D269-H272 PolarHBondContact O-N 3.39Å; D269-H272 WeakPolarHBondContact OD1-CB 3.48Å; D269-H272 PolarHBondContact OD1-N 3.45Å; D269-A273 PolarHBondContact O-N 3.06Å
270	E	98.1	Very high	98.3	Very high	11 Å²	11	48 Å²	48	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-32.4	-179.7	-60.4	-165	171.9	0	0	113	K70 L71 R76 L203 V223 A273 L274	K70-E270 WeakPolarHBondContact CB-OE1 3.4Å; K70-E270 WeakPolarHBondContact CE-OE1 3.41Å; K70-E270 WeakPolarHBondContact CG-OE1 3.46Å; L71-E270 WeakPolarHBondContact CA-OE2 3.37Å; L71-E270 WeakPolarHBondContact CB-OE2 3.45Å; L71-E270 HydrophobicContact CD1-CB 4.21Å; L71-E270 HydrophobicContact CG-CB 4.5Å; L71-E270 PolarHBondContact N-OE2 3.38Å; R76-E270 IonicContact CZ-OE1 3.81Å; R76-E270 IonicContact CZ-OE2 3.67Å; R76-E270 IonicContact NE-OE1 2.79Å; R76-E270 IonicContact NE-OE2 3.22Å; R76-E270 PolarHBondContact NE-OE2 3.01Å; R76-E270 IonicContact NH2-OE1 2.87Å; R76-E270 PolarHBondContact NH2-OE1 3.19Å; R76-E270 IonicContact NH2-OE2 2.8Å; L203-E270 HydrophobicContact CD2-CB 4.19Å; L203-E270 HydrophobicContact CD2-CG 3.99Å; V223-E270 HydrophobicContact CG2-CG 4.46Å; E270-A273 PolarHBondContact O-N 3.41Å; E270-L274 WeakPolarHBondContact O-CG 3.27Å; E270-L274 PolarHBondContact O-N 3.04Å
271	K	98.2	Very high	98.3	Very high	136 Å²	136	45.4 Å²	45.4	59%	0.591	24%	0.235	S	C	*	.	H	α-helix	trans	-68.3	-41.2	178.9	-67.1	179.5	-179.5	174.7	0	110.6	L71 L79 D269 L274 H275	L71-K271 HydrophobicContact CD1-CG 4.47Å; L79-K271 HydrophobicContact CD1-CG 4.31Å; D269-K271 VanDerWaalsContact C-N 3.32Å; D269-K271 PolarHBondContact O-N 2.77Å; D269-K271 WeakPolarHBondContact OD1-CA 3.45Å; D269-K271 WeakPolarHBondContact OD1-CB 3.48Å; D269-K271 PolarHBondContact OD1-N 3.13Å; K271-L274 PolarHBondContact O-N 3.03Å; K271-H275 WeakPolarHBondContact O-CB 3.46Å; K271-H275 PolarHBondContact O-N 2.94Å
272	H	98.5	Very high	98.2	Very high	67 Å²	67	45.4 Å²	45.4	31%	0.31	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-44	174.1	-172.9	-165.1	0	0	0	110.9	L268 D269 L274 H275 I276	L268-H272 PolarHBondContact N-ND1 2.89Å; L268-H272 VanDerWaalsContact N-ND1 3.19Å; D269-H272 PolarHBondContact O-N 3.39Å; D269-H272 WeakPolarHBondContact OD1-CB 3.48Å; D269-H272 PolarHBondContact OD1-N 3.45Å; H272-L274 PolarHBondContact O-N 3.21Å; H272-H275 WeakPolarHBondContact O-CB 3.29Å; H272-H275 PolarHBondContact O-N 3.23Å; H272-I276 WeakPolarHBondContact O-CG1 3.45Å; H272-I276 PolarHBondContact O-N 3.31Å
273	A	98.7	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-44.6	176.9	0	0	0	0	0	112.6	V201 L203 I221 V223 A267 D269 E270 H275 I276 A277	V201-A273 HydrophobicContact CG1-CB 3.79Å; L203-A273 HydrophobicContact CD2-CB 4.06Å; I221-A273 HydrophobicContact CG2-CB 3.82Å; V223-A273 HydrophobicContact CG2-CB 3.55Å; A267-A273 HydrophobicContact CB-CB 3.54Å; D269-A273 PolarHBondContact O-N 3.06Å; E270-A273 PolarHBondContact O-N 3.41Å; A273-H275 VanDerWaalsContact C-N 3.33Å; A273-H275 PolarHBondContact O-N 3.28Å; A273-I276 PolarHBondContact O-N 2.9Å; A273-A277 PolarHBondContact O-N 2.85Å
274	L	98.6	Very high	97.8	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-37	176.8	-63.5	172.2	0	0	0	111.4	L71 R76 L79 L80 L160 E270 K271 H272 A277 R278	L71-L274 HydrophobicContact CD1-CD1 4.46Å; R76-L274 HydrophobicContact CB-CD1 4.05Å; R76-L274 HydrophobicContact CB-CD2 4.35Å; R76-L274 HydrophobicContact CG-CD1 4.36Å; L79-L274 HydrophobicContact CB-CD1 3.85Å; L79-L274 HydrophobicContact CD1-CD1 4.25Å; L80-L274 HydrophobicContact CB-CD2 4.29Å; L80-L274 HydrophobicContact CD1-CD2 4.39Å; L160-L274 HydrophobicContact CD2-CD2 3.98Å; E270-L274 WeakPolarHBondContact O-CG 3.27Å; E270-L274 PolarHBondContact O-N 3.04Å; K271-L274 PolarHBondContact O-N 3.03Å; H272-L274 PolarHBondContact O-N 3.21Å; L274-A277 PolarHBondContact O-N 2.92Å; L274-R278 VanDerWaalsContact O-CG 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.48Å; L274-R278 PolarHBondContact O-N 2.87Å
275	H	98.4	Very high	97.5	Very high	92 Å²	92	53.7 Å²	53.7	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-47	172.8	178.6	66.1	0	0	0	112	K271 H272 A273 A277 R278 L279	K271-H275 WeakPolarHBondContact O-CB 3.46Å; K271-H275 PolarHBondContact O-N 2.94Å; H272-H275 WeakPolarHBondContact O-CB 3.29Å; H272-H275 PolarHBondContact O-N 3.23Å; A273-H275 VanDerWaalsContact C-N 3.33Å; A273-H275 PolarHBondContact O-N 3.28Å; H275-A277 VanDerWaalsContact C-N 3.33Å; H275-A277 PolarHBondContact O-N 3.14Å; H275-R278 WeakPolarHBondContact O-CB 3.44Å; H275-R278 PolarHBondContact O-N 2.87Å; H275-L279 PolarHBondContact O-N 3.37Å
276	I	98.6	Very high	96.7	Very high	19 Å²	19	55.6 Å²	55.6	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-42.2	176.3	-61.6	161.8	0	0	0	110.6	I221 H265 A267 H272 A273 R278 L279 A280	I221-I276 HydrophobicContact CD1-CB 4.13Å; I221-I276 HydrophobicContact CD1-CG2 3.8Å; I221-I276 HydrophobicContact CG1-CB 4.34Å; I221-I276 HydrophobicContact CG1-CG2 3.77Å; I221-I276 HydrophobicContact CG2-CD1 4.4Å; H265-I276 HydrophobicContact CB-CD1 4.46Å; H265-I276 HydrophobicContact CB-CG2 3.87Å; A267-I276 HydrophobicContact CB-CD1 4.1Å; H272-I276 WeakPolarHBondContact O-CG1 3.45Å; H272-I276 PolarHBondContact O-N 3.31Å; A273-I276 PolarHBondContact O-N 2.9Å; I276-R278 VanDerWaalsContact C-N 3.27Å; I276-R278 PolarHBondContact O-N 3.33Å; I276-L279 CarbonylContact O-C 3.56Å; I276-L279 WeakPolarHBondContact O-CA 3.41Å; I276-L279 WeakPolarHBondContact O-CB 3.43Å; I276-L279 PolarHBondContact O-N 2.74Å; I276-A280 PolarHBondContact O-N 3.36Å
277	A	98.7	Very high	95.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-40	176.6	0	0	0	0	0	111.9	L80 V201 I221 A273 L274 H275 A280 I281	L80-A277 HydrophobicContact CD1-CB 3.98Å; V201-A277 HydrophobicContact CG2-CB 3.77Å; I221-A277 VanDerWaalsContact CD1-CA 3.47Å; I221-A277 HydrophobicContact CD1-CB 3.71Å; A273-A277 PolarHBondContact O-N 2.85Å; L274-A277 PolarHBondContact O-N 2.92Å; H275-A277 VanDerWaalsContact C-N 3.33Å; H275-A277 PolarHBondContact O-N 3.14Å; A277-A280 PolarHBondContact O-N 2.8Å; A277-I281 WeakPolarHBondContact O-CG1 3.37Å; A277-I281 PolarHBondContact O-N 2.74Å; A277-I281 VanDerWaalsContact O-N 3.14Å
278	R	98.4	Very high	93.6	Very high	44 Å²	44	67.5 Å²	67.5	17%	0.166	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-43.4	172.6	-63.8	177.7	53.7	76.6	6.8	111.3	L80 L81 D82 I116 Y117 L274 H275 I276 I281 S282	L80-R278 HydrophobicContact CD1-CG 3.88Å; L80-R278 WeakPolarHBondContact O-CG 3.47Å; L80-R278 PolarHBondContact O-NH1 3.07Å; L81-R278 PolarHBondContact O-NH1 2.97Å; D82-R278 IonicContact OD1-CZ 2.74Å; D82-R278 VanDerWaalsContact OD1-CZ 3.28Å; D82-R278 IonicContact OD1-NH1 3.17Å; D82-R278 PolarHBondContact OD1-NH1 3.36Å; D82-R278 IonicContact OD1-NH2 3.97Å; D82-R278 PolarHBondContact OD1-NH2 3.29Å; I116-R278 HydrophobicContact CG2-CB 4.15Å; I116-R278 HydrophobicContact CG2-CG 3.92Å; Y117-R278 HydrophobicContact CD2-CB 3.69Å; Y117-R278 WeakPolarHBondContact CD2-O 3.27Å; Y117-R278 HydrophobicContact CE2-CB 3.49Å; Y117-R278 VanDerWaalsContact CE2-CB 3.49Å; Y117-R278 WeakPolarHBondContact CE2-O 3.48Å; L274-R278 VanDerWaalsContact O-CG 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.48Å; L274-R278 PolarHBondContact O-N 2.87Å; H275-R278 WeakPolarHBondContact O-CB 3.44Å; H275-R278 PolarHBondContact O-N 2.87Å; I276-R278 VanDerWaalsContact C-N 3.27Å; I276-R278 PolarHBondContact O-N 3.33Å; R278-I281 PolarHBondContact O-N 3.31Å; R278-S282 PolarHBondContact O-N 3.35Å
279	L	97.9	Very high	92.3	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.335	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.5	-66	177.4	0	0	0	112.3	H275 I276 I281 S282 N283	H275-L279 PolarHBondContact O-N 3.37Å; I276-L279 CarbonylContact O-C 3.56Å; I276-L279 WeakPolarHBondContact O-CA 3.41Å; I276-L279 WeakPolarHBondContact O-CB 3.43Å; I276-L279 PolarHBondContact O-N 2.74Å; L279-I281 VanDerWaalsContact C-N 3.32Å; L279-I281 PolarHBondContact O-N 3.27Å; L279-S282 WeakPolarHBondContact O-CB 3.4Å; L279-S282 PolarHBondContact O-N 3.2Å; L279-S282 PolarHBondContact O-OG 2.99Å; L279-N283 PolarHBondContact O-N 3.34Å; L279-N283 PolarHBondContact O-ND2 2.99Å
280	A	97.9	Very high	90.9	Very high	3 Å²	3	66 Å²	66	3%	0.025	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-46.9	174.6	0	0	0	0	0	111.1	I199 I276 A277 S282 N283	I199-A280 HydrophobicContact CD1-CB 4.05Å; I199-A280 HydrophobicContact CG2-CB 4.42Å; I276-A280 PolarHBondContact O-N 3.36Å; A277-A280 PolarHBondContact O-N 2.8Å; A280-S282 VanDerWaalsContact C-N 3.3Å; A280-S282 PolarHBondContact O-N 2.79Å; A280-N283 PolarHBondContact O-N 3.21Å; A280-N283 VanDerWaalsContact O-N 3.16Å
281	I	97.5	Very high	89.8	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-35.8	174.9	-62.8	-58.6	0	0	0	112.6	I116 P156 V158 I199 A277 R278 L279 N283 L284	I116-I281 HydrophobicContact CB-CB 4.46Å; I116-I281 HydrophobicContact CB-CG1 4.41Å; I116-I281 HydrophobicContact CB-CG2 4.05Å; I116-I281 HydrophobicContact CD1-CG1 4.48Å; I116-I281 HydrophobicContact CG2-CB 3.89Å; I116-I281 HydrophobicContact CG2-CG1 3.96Å; I116-I281 HydrophobicContact CG2-CG2 3.96Å; I116-I281 VanDerWaalsContact O-CG2 3.3Å; I116-I281 WeakPolarHBondContact O-CG2 3.45Å; P156-I281 HydrophobicContact CB-CD1 4.22Å; V158-I281 HydrophobicContact CG2-CD1 3.86Å; V158-I281 HydrophobicContact CG2-CG1 4.19Å; I199-I281 HydrophobicContact CG1-CD1 3.98Å; A277-I281 WeakPolarHBondContact O-CG1 3.37Å; A277-I281 PolarHBondContact O-N 2.74Å; A277-I281 VanDerWaalsContact O-N 3.14Å; R278-I281 PolarHBondContact O-N 3.31Å; L279-I281 VanDerWaalsContact C-N 3.32Å; L279-I281 PolarHBondContact O-N 3.27Å; I281-N283 PolarHBondContact O-N 3Å; I281-L284 HydrophobicContact CB-CD1 4.42Å; I281-L284 HydrophobicContact CD1-CD1 3.79Å; I281-L284 HydrophobicContact CG2-CD1 4.18Å; I281-L284 VanDerWaalsContact O-CG 3.27Å; I281-L284 WeakPolarHBondContact O-CG 3.26Å; I281-L284 PolarHBondContact O-N 3.21Å
282	S	95.7	Very high	88.4	Confident	51 Å²	51	68.9 Å²	68.9	36%	0.357	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-23.9	179.1	78.4	0	0	0	0	113.6	R278 L279 A280	R278-S282 PolarHBondContact O-N 3.35Å; L279-S282 WeakPolarHBondContact O-CB 3.4Å; L279-S282 PolarHBondContact O-N 3.2Å; L279-S282 PolarHBondContact O-OG 2.99Å; A280-S282 VanDerWaalsContact C-N 3.3Å; A280-S282 PolarHBondContact O-N 2.79Å
283	N	95.3	Very high	87.3	Confident	125 Å²	125	68.7 Å²	68.7	67%	0.668	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	6.5	-176.1	-70.9	-41.4	0	0	0	114.4	L279 A280 I281 N285	L279-N283 PolarHBondContact O-N 3.34Å; L279-N283 PolarHBondContact O-ND2 2.99Å; A280-N283 PolarHBondContact O-N 3.21Å; A280-N283 VanDerWaalsContact O-N 3.16Å; I281-N283 PolarHBondContact O-N 3Å; N283-N285 PolarHBondContact O-N 3.24Å; N283-N285 VanDerWaalsContact O-N 3.12Å
284	L	94.4	Very high	86.1	Confident	36 Å²	36	70.7 Å²	70.7	19%	0.188	37%	0.374	C	S	.	.	S	Bend	trans	-70.1	-9.5	-173.9	-61.8	177.7	0	0	0	114.9	P156 P197 I281 R286	P156-L284 HydrophobicContact CB-CD1 3.98Å; P156-L284 HydrophobicContact CG-CD1 3.93Å; P197-L284 HydrophobicContact CB-CD1 4.15Å; P197-L284 HydrophobicContact CB-CD2 3.56Å; P197-L284 HydrophobicContact CB-CG 4.45Å; P197-L284 HydrophobicContact CG-CD1 3.94Å; P197-L284 HydrophobicContact CG-CD2 3.62Å; P197-L284 HydrophobicContact CG-CG 4.21Å; I281-L284 HydrophobicContact CB-CD1 4.42Å; I281-L284 HydrophobicContact CD1-CD1 3.79Å; I281-L284 HydrophobicContact CG2-CD1 4.18Å; I281-L284 VanDerWaalsContact O-CG 3.27Å; I281-L284 WeakPolarHBondContact O-CG 3.26Å; I281-L284 PolarHBondContact O-N 3.21Å; L284-R286 HydrophobicContact CB-CG 3.71Å; L284-R286 PolarHBondContact O-N 3.19Å
285	N	91	Very high	84.9	Confident	158 Å²	158	73.6 Å²	73.6	85%	0.845	40%	0.395	S	S	*	.			trans	46.1	40.3	-179.2	-171	33.4	0	0	0	113.8	N283	N283-N285 PolarHBondContact O-N 3.24Å; N283-N285 VanDerWaalsContact O-N 3.12Å
286	R	81.8	Confident	83.7	Confident	96 Å²	96	78.5 Å²	78.5	36%	0.362	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-81.4	130.1	-176.6	-60.8	-170.7	72.6	-149	4.2	110.3	H154 P156 L284 Q288	H154-R286 PolarHBondContact O-NH1 3.37Å; H154-R286 PolarHBondContact O-NH2 2.96Å; P156-R286 VanDerWaalsContact CG-NH1 3.28Å; L284-R286 HydrophobicContact CB-CG 3.71Å; L284-R286 PolarHBondContact O-N 3.19Å; R286-Q288 PolarHBondContact O-N 3.1Å
287	C	69	Low	82.3	Confident	127 Å²	127	81.7 Å²	81.7	86%	0.858	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-59.1	134.2	170	-66.1	0	0	0	0	109.9
288	Q	64.5	Low	81.5	Confident	180 Å²	180	87.5 Å²	87.5	84%	0.841	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-62.8	142	169.9	-67.7	-178.2	-9.1	0	0	109.4	R286	R286-Q288 PolarHBondContact O-N 3.1Å
289	S	70.3	Confident	81	Confident	39 Å²	39	86.1 Å²	86.1	27%	0.273	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-55.5	143.5	174.4	175.2	0	0	0	0	110.6	V291	S289-V291 PolarHBondContact O-N 3.31Å; S289-V291 PolarHBondContact OG-N 3.39Å; S289-V291 VanDerWaalsContact OG-N 3.09Å
290	T	67.9	Low	80.6	Confident	129 Å²	129	87.9 Å²	87.9	79%	0.791	47%	0.47	S	S	*	.	S	Bend	trans	-72.4	-9.3	172.6	57.8	0	0	0	0	112.9	H292	T290-H292 PolarHBondContact O-CD2 3.14Å; T290-H292 PolarHBondContact O-N 2.9Å
291	V	74	Confident	80.4	Confident	49 Å²	49	91.5 Å²	91.5	30%	0.297	49%	0.494	S	S	.	.			trans	-81.7	108.1	176.1	-178.1	0	0	0	0	109.4	S289 F293 I357 V541	S289-V291 PolarHBondContact O-N 3.31Å; S289-V291 PolarHBondContact OG-N 3.39Å; S289-V291 VanDerWaalsContact OG-N 3.09Å; V291-F293 HydrophobicContact CG1-CE2 4.33Å; V291-I357 HydrophobicContact CG1-CD1 4.17Å; V291-V541 HydrophobicContact CB-CG2 4.46Å; V291-V541 HydrophobicContact CG1-CB 4.49Å; V291-V541 HydrophobicContact CG1-CG2 3.86Å; V291-V541 WeakPolarHBondContact CG2-O 3.47Å
292	H	69.3	Low	80.4	Confident	157 Å²	157	92.3 Å²	92.3	73%	0.727	50%	0.499	S	S	*	.			trans	-91.6	115.1	175	-63.4	-72.3	0	0	0	110	T290	T290-H292 PolarHBondContact O-CD2 3.14Å; T290-H292 PolarHBondContact O-N 2.9Å
293	F	75.1	Confident	80.4	Confident	64 Å²	64	95.8 Å²	95.8	28%	0.281	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-69.3	137.2	163.9	-77.9	-98.2	0	0	0	108.4	V291 I357 S538 V541	V291-F293 HydrophobicContact CG1-CE2 4.33Å; F293-I357 HydrophobicContact CD1-CD1 3.95Å; F293-I357 HydrophobicContact CD1-CG1 3.72Å; F293-I357 HydrophobicContact CE1-CD1 3.81Å; F293-I357 HydrophobicContact CE1-CG1 3.2Å; F293-I357 HydrophobicContact CE2-CD1 4.38Å; F293-I357 HydrophobicContact CE2-CG1 4.46Å; F293-I357 HydrophobicContact CG-CD1 4.3Å; F293-I357 HydrophobicContact CZ-CD1 3.99Å; F293-I357 HydrophobicContact CZ-CG1 3.59Å; F293-S538 VanDerWaalsContact CZ-CA 3.49Å; F293-V541 HydrophobicContact CE2-CG2 3.82Å; F293-V541 HydrophobicContact CZ-CG2 3.75Å
294	P	74.2	Confident	80.4	Confident	42 Å²	42	90.9 Å²	90.9	27%	0.273	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-59.2	156.2	168.9	24.4	-29.2	0	0	0	109.6	Q298 V299	P294-Q298 HydrophobicContact CB-CB 4Å; P294-Q298 VanDerWaalsContact CB-OE1 3.28Å; P294-V299 HydrophobicContact CG-CG2 3.85Å
295	S	73.9	Confident	80.5	Confident	64 Å²	64	91.5 Å²	91.5	45%	0.448	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-60.1	149.6	177.4	72.3	0	0	0	0	109.4	A297 Q298 V299	S295-A297 PolarHBondContact O-N 3Å; S295-Q298 VanDerWaalsContact N-OE1 3.1Å; S295-Q298 WeakPolarHBondContact O-CA 3.23Å; S295-Q298 WeakPolarHBondContact O-CB 3.48Å; S295-Q298 PolarHBondContact O-N 2.95Å; S295-Q298 WeakPolarHBondContact OG-CG 3.5Å; S295-V299 PolarHBondContact O-N 2.94Å
296	Y	71.9	Confident	80.8	Confident	195 Å²	195	85.2 Å²	85.2	77%	0.765	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33.4	-179.5	-174.9	-96.1	0	0	0	112.2	Q298 V299	Y296-Q298 PolarHBondContact O-N 2.88Å; Y296-V299 PolarHBondContact O-N 3.37Å; Y296-V299 VanDerWaalsContact O-N 3.12Å
297	A	70.6	Confident	81.5	Confident	85 Å²	85	85.1 Å²	85.1	70%	0.702	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-63.2	-21.7	175.5	0	0	0	0	0	114.4	S295	S295-A297 PolarHBondContact O-N 3Å
298	Q	80.8	Confident	82.8	Confident	122 Å²	122	79.4 Å²	79.4	57%	0.57	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-91.4	-15.9	177	-67.6	169	-20.4	0	0	112.6	P294 S295 Y296	P294-Q298 HydrophobicContact CB-CB 4Å; P294-Q298 VanDerWaalsContact CB-OE1 3.28Å; S295-Q298 VanDerWaalsContact N-OE1 3.1Å; S295-Q298 WeakPolarHBondContact O-CA 3.23Å; S295-Q298 WeakPolarHBondContact O-CB 3.48Å; S295-Q298 PolarHBondContact O-N 2.95Å; S295-Q298 WeakPolarHBondContact OG-CG 3.5Å; Y296-Q298 PolarHBondContact O-N 2.88Å
299	V	87.4	Confident	84.4	Confident	16 Å²	16	70.8 Å²	70.8	10%	0.097	38%	0.379	C	S	.	.			trans	-87.1	112.1	178.3	176.8	0	0	0	0	109.1	P294 S295 Y296 Y355	P294-V299 HydrophobicContact CG-CG2 3.85Å; S295-V299 PolarHBondContact O-N 2.94Å; Y296-V299 PolarHBondContact O-N 3.37Å; Y296-V299 VanDerWaalsContact O-N 3.12Å; V299-Y355 HydrophobicContact CG1-CD1 4.08Å
300	Q	91	Very high	85.7	Confident	100 Å²	100	69.6 Å²	69.6	47%	0.467	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-84.3	135	174.5	-63.5	-58.5	-38.4	0	0	110.6	D332 E333	Q300-D332 WeakPolarHBondContact O-CA 2.94Å; Q300-D332 WeakPolarHBondContact O-CB 3.5Å; Q300-E333 HydrophobicContact CB-CG 3.38Å; Q300-E333 HydrophobicContact CG-CG 4.1Å
301	P	93.5	Very high	87.2	Confident	80 Å²	80	63.4 Å²	63.4	52%	0.519	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-66.7	168.2	175.6	30.2	-35.2	0	0	0	111.3	E333	P301-E333 WeakPolarHBondContact O-CA 3.43Å; P301-E333 PolarHBondContact O-N 3.11Å
302	P	96.3	Very high	88.2	Confident	24 Å²	24	62 Å²	62	16%	0.156	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-57	149.4	167.6	-17.2	30.6	0	0	0	110.4	L304 R329 V331	P302-L304 VanDerWaalsContact C-N 3.34Å; P302-R329 WeakPolarHBondContact CG-O 3.2Å; P302-V331 WeakPolarHBondContact CA-O 3.29Å; P302-V331 WeakPolarHBondContact CB-O 3.15Å; P302-V331 WeakPolarHBondContact CG-O 3.24Å
303	K	96.3	Very high	89.5	Confident	123 Å²	123	54.7 Å²	54.7	54%	0.535	29%	0.288	S	S	.	.	S	Bend	trans	-76.3	-24.2	178.6	-71.1	178.1	-178.6	177.2	0	113	T20 E333 S334	T20-K303 HydrophobicContact CG2-CD 3.74Å; T20-K303 PolarHBondContact OG1-NZ 3.01Å; K303-E333 WeakPolarHBondContact CD-O 3.47Å; K303-E333 WeakPolarHBondContact CE-O 3.31Å; K303-E333 WeakPolarHBondContact CG-O 3.46Å; K303-S334 PolarHBondContact N-OG 3.07Å
304	L	96.3	Very high	90.5	Very high	23 Å²	23	51.7 Å²	51.7	12%	0.12	28%	0.275	C	S	.	.	S	Bend	trans	-103.9	143.3	-176	-60.6	173.4	0	0	0	110.5	E24 P302 A328 R329	E24-L304 HydrophobicContact CG-CD2 4.17Å; P302-L304 VanDerWaalsContact C-N 3.34Å; L304-A328 HydrophobicContact CD1-CB 3.96Å; L304-R329 HydrophobicContact CB-CG 3.88Å
305	P	96.3	Very high	91.5	Very high	49 Å²	49	52.1 Å²	52.1	32%	0.318	28%	0.275	S	S	.	.			trans	-68	135.8	-179.1	26.3	-30.7	0	0	0	110.8	E307 D308 R329	P305-E307 WeakPolarHBondContact CB-OE2 3.25Å; P305-E307 PolarHBondContact O-N 3.15Å; P305-D308 WeakPolarHBondContact CG-OD2 3.25Å; P305-D308 WeakPolarHBondContact O-CB 3.26Å; P305-D308 PolarHBondContact O-N 3.39Å; P305-R329 WeakPolarHBondContact O-CD 3.48Å; P305-R329 PolarHBondContact O-NE 3.34Å
306	V	96.2	Very high	92.4	Very high	26 Å²	26	51 Å²	51	16%	0.158	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.5	-176.8	73.2	0	0	0	0	111.6	D308 L309 A527	V306-D308 PolarHBondContact O-N 3.16Å; V306-L309 HydrophobicContact CG2-CD1 3.72Å; V306-L309 HydrophobicContact CG2-CG 4.49Å; V306-L309 VanDerWaalsContact O-CB 3.26Å; V306-L309 WeakPolarHBondContact O-CB 3.28Å; V306-L309 WeakPolarHBondContact O-CG 3.22Å; V306-L309 PolarHBondContact O-N 3.22Å; V306-L309 VanDerWaalsContact O-N 3.11Å; V306-A527 HydrophobicContact CG1-CB 4.03Å
307	E	96.7	Very high	93.2	Very high	94 Å²	94	43.9 Å²	43.9	44%	0.439	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22	178	-60.4	75.4	-166.5	0	0	112.4	P305 L309 Y310	P305-E307 WeakPolarHBondContact CB-OE2 3.25Å; P305-E307 PolarHBondContact O-N 3.15Å; E307-L309 PolarHBondContact O-N 3.24Å; E307-L309 VanDerWaalsContact O-N 3.13Å; E307-Y310 HydrophobicContact CB-CD2 4.24Å; E307-Y310 HydrophobicContact CB-CE2 4.13Å; E307-Y310 HydrophobicContact CG-CE2 4.36Å; E307-Y310 WeakPolarHBondContact O-CD2 3.26Å; E307-Y310 PolarHBondContact O-N 3.29Å
308	D	97.3	Very high	94	Very high	6 Å²	6	46 Å²	46	3%	0.032	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-20.1	174.4	-79	-13.3	0	0	0	112.3	P25 R27 P305 V306 Y310 G311 I312 R329	P25-D308 WeakPolarHBondContact CD-OD2 3.45Å; P25-D308 HydrophobicContact CG-CB 4.09Å; R27-D308 IonicContact CZ-OD1 3.62Å; R27-D308 IonicContact CZ-OD2 2.72Å; R27-D308 IonicContact NE-OD1 3.51Å; R27-D308 PolarHBondContact NE-OD1 3.23Å; R27-D308 IonicContact NE-OD2 2.87Å; R27-D308 IonicContact NH2-OD1 3.48Å; R27-D308 PolarHBondContact NH2-OD1 2.92Å; R27-D308 VanDerWaalsContact NH2-OD1 3.13Å; R27-D308 IonicContact NH2-OD2 2.81Å; R27-D308 PolarHBondContact NH2-OD2 3.49Å; P305-D308 WeakPolarHBondContact CG-OD2 3.25Å; P305-D308 WeakPolarHBondContact O-CB 3.26Å; P305-D308 PolarHBondContact O-N 3.39Å; V306-D308 PolarHBondContact O-N 3.16Å; D308-Y310 PolarHBondContact O-N 3.47Å; D308-G311 PolarHBondContact O-N 3.24Å; D308-I312 HydrophobicContact CB-CD1 3.97Å; D308-I312 VanDerWaalsContact O-CG1 3.27Å; D308-I312 WeakPolarHBondContact O-CG1 3.45Å; D308-I312 PolarHBondContact O-N 3.4Å; D308-R329 IonicContact OD2-CZ 2.58Å; D308-R329 IonicContact OD2-NE 3.71Å; D308-R329 IonicContact OD2-NH2 3.82Å; D308-R329 PolarHBondContact OD2-NH2 2.89Å
309	L	97.7	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-32.4	176.8	-66.5	177.8	0	0	0	112.6	V306 E307 G311 I312 V313 V326 R329 W457 P526	V306-L309 HydrophobicContact CG2-CD1 3.72Å; V306-L309 HydrophobicContact CG2-CG 4.49Å; V306-L309 VanDerWaalsContact O-CB 3.26Å; V306-L309 WeakPolarHBondContact O-CB 3.28Å; V306-L309 WeakPolarHBondContact O-CG 3.22Å; V306-L309 PolarHBondContact O-N 3.22Å; V306-L309 VanDerWaalsContact O-N 3.11Å; E307-L309 PolarHBondContact O-N 3.24Å; E307-L309 VanDerWaalsContact O-N 3.13Å; L309-G311 PolarHBondContact O-N 3.11Å; L309-I312 PolarHBondContact O-N 2.98Å; L309-V313 PolarHBondContact O-N 3.48Å; L309-V326 HydrophobicContact CD2-CB 4.3Å; L309-V326 HydrophobicContact CD2-CG1 4.36Å; L309-V326 HydrophobicContact CD2-CG2 4.1Å; L309-R329 HydrophobicContact CD1-CB 4.4Å; L309-R329 HydrophobicContact CD2-CB 4.12Å; L309-R329 HydrophobicContact CD2-CG 4.46Å; L309-R329 HydrophobicContact CG-CB 4.25Å; L309-W457 HydrophobicContact CB-CH2 4.25Å; L309-W457 HydrophobicContact CD1-CH2 3.88Å; L309-W457 HydrophobicContact CD1-CZ2 4Å; L309-W457 HydrophobicContact CD2-CH2 4.22Å; L309-W457 HydrophobicContact CG-CH2 4.35Å; L309-P526 HydrophobicContact CB-CB 4.34Å
310	Y	98.2	Very high	94.6	Very high	13 Å²	13	49.9 Å²	49.9	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-46.1	178.1	-57.5	-61	0	0	0	111.5	N35 D36 L39 R40 V43 E307 D308 G314 D525 P526 A527	N35-Y310 CarbonylContact C-O 3.56Å; N35-Y310 VanDerWaalsContact C-O 3.3Å; D36-Y310 PolarHBondContact N-O 3.21Å; D36-Y310 WeakPolarHBondContact OD1-CB 3.43Å; L39-Y310 HydrophobicContact CD2-CD1 4.08Å; L39-Y310 HydrophobicContact CG-CD1 4.03Å; R40-Y310 HydrophobicContact CG-CD1 4.16Å; R40-Y310 HydrophobicContact CG-CD2 4.32Å; R40-Y310 HydrophobicContact CG-CE1 4.47Å; R40-Y310 HydrophobicContact CG-CG 4.06Å; R40-Y310 VanDerWaalsContact CZ-CE2 3.48Å; R40-Y310 VanDerWaalsContact NH1-CE2 3.27Å; V43-Y310 HydrophobicContact CG2-CE1 4.03Å; E307-Y310 HydrophobicContact CB-CD2 4.24Å; E307-Y310 HydrophobicContact CB-CE2 4.13Å; E307-Y310 HydrophobicContact CG-CE2 4.36Å; E307-Y310 WeakPolarHBondContact O-CD2 3.26Å; E307-Y310 PolarHBondContact O-N 3.29Å; D308-Y310 PolarHBondContact O-N 3.47Å; Y310-G314 PolarHBondContact O-N 3.44Å; Y310-D525 WeakPolarHBondContact CE1-OD1 3.48Å; Y310-D525 PolarHBondContact OH-OD1 2.87Å; Y310-D525 PolarHBondContact OH-OD2 3.48Å; Y310-P526 HydrophobicContact CD1-CB 4.5Å; Y310-P526 HydrophobicContact CD1-CG 4.48Å; Y310-P526 HydrophobicContact CE1-CB 4.29Å; Y310-P526 HydrophobicContact CE1-CG 4.32Å; Y310-A527 HydrophobicContact CE2-CB 4.3Å; Y310-A527 VanDerWaalsContact OH-CB 3.26Å; Y310-A527 WeakPolarHBondContact OH-CB 3.43Å
311	G	97.5	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-82.3	-25	-179.4	0	0	0	0	0	114.4	F32 N35 D308 L309	F32-G311 VanDerWaalsContact CD2-C 3.49Å; F32-G311 VanDerWaalsContact CE2-CA 3.48Å; F32-G311 WeakPolarHBondContact O-CA 3.41Å; N35-G311 WeakPolarHBondContact CB-O 3.44Å; N35-G311 PolarHBondContact ND2-O 3.49Å; D308-G311 PolarHBondContact O-N 3.24Å; L309-G311 PolarHBondContact O-N 3.11Å
312	I	96.9	Very high	94.9	Very high	19 Å²	19	46 Å²	46	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-74.4	-52.6	177.7	-69.5	166.4	0	0	0	111	P25 F32 N35 D308 L309 F321 E325	P25-I312 HydrophobicContact CB-CG1 4.34Å; P25-I312 HydrophobicContact CG-CD1 4.29Å; P25-I312 HydrophobicContact CG-CG1 4.37Å; F32-I312 HydrophobicContact CE2-CG1 4.27Å; N35-I312 PolarHBondContact ND2-O 3.1Å; D308-I312 HydrophobicContact CB-CD1 3.97Å; D308-I312 VanDerWaalsContact O-CG1 3.27Å; D308-I312 WeakPolarHBondContact O-CG1 3.45Å; D308-I312 PolarHBondContact O-N 3.4Å; L309-I312 PolarHBondContact O-N 2.98Å; I312-F321 HydrophobicContact CG2-CB 4.39Å; I312-E325 HydrophobicContact CD1-CB 4.23Å; I312-E325 HydrophobicContact CG2-CB 3.92Å; I312-E325 HydrophobicContact CG2-CG 4.46Å
313	V	96.6	Very high	95	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-85.1	-48.6	-173.5	177.4	0	0	0	0	111.4	L309 F321 V326 W457	L309-V313 PolarHBondContact O-N 3.48Å; V313-F321 HydrophobicContact CB-CE1 4.36Å; V313-F321 HydrophobicContact CB-CZ 4.49Å; V313-F321 HydrophobicContact CG1-CD1 4.34Å; V313-F321 HydrophobicContact CG1-CE1 3.76Å; V313-F321 HydrophobicContact CG1-CZ 4Å; V313-F321 HydrophobicContact CG2-CD1 4.37Å; V313-F321 HydrophobicContact CG2-CD2 4.03Å; V313-F321 HydrophobicContact CG2-CE1 4.16Å; V313-F321 HydrophobicContact CG2-CE2 3.81Å; V313-F321 HydrophobicContact CG2-CG 4.31Å; V313-F321 HydrophobicContact CG2-CZ 3.87Å; V313-V326 HydrophobicContact CG2-CG2 3.94Å; V313-W457 HydrophobicContact CB-CZ3 3.99Å; V313-W457 HydrophobicContact CG1-CE3 4.28Å; V313-W457 HydrophobicContact CG1-CZ3 3.96Å; V313-W457 HydrophobicContact CG2-CH2 4.33Å; V313-W457 HydrophobicContact CG2-CZ3 3.71Å
314	G	96	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.			trans	65.2	-164.1	-176.8	0	0	0	0	0	114	Y310 N459	Y310-G314 PolarHBondContact O-N 3.44Å; G314-N459 PolarHBondContact O-ND2 3.39Å
315	D	94.3	Very high	95.2	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.273	22%	0.215	S	C	.	.	S	Bend	trans	-96.2	-26.3	-179.4	71.1	-42.1	0	0	0	113.7	R38 L42 L317	R38-D315 HydrophobicContact CB-CB 4.01Å; R38-D315 WeakPolarHBondContact CD-OD1 3.3Å; R38-D315 WeakPolarHBondContact CD-OD2 3.42Å; R38-D315 IonicContact NH1-OD1 2.87Å; L42-D315 HydrophobicContact CD1-CB 3.93Å; D315-L317 PolarHBondContact O-N 3.45Å
316	S	92.1	Very high	95.3	Very high	41 Å²	41	37.3 Å²	37.3	29%	0.287	20%	0.2	S	C	.	.			trans	-80.3	113.9	-171.7	-178	0	0	0	0	112.7	T318 R319	S316-T318 VanDerWaalsContact C-N 3.25Å; S316-T318 PolarHBondContact O-N 3.35Å; S316-T318 PolarHBondContact OG-OG1 2.89Å; S316-T318 VanDerWaalsContact OG-OG1 3.04Å; S316-R319 PolarHBondContact O-N 2.9Å
317	L	89.3	Confident	95.4	Very high	45 Å²	45	36.1 Å²	36.1	24%	0.236	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.5	176	-60	-176.4	0	0	0	114.4	D315 R319 Y437 K461	D315-L317 PolarHBondContact O-N 3.45Å; L317-R319 VanDerWaalsContact C-N 3.3Å; L317-Y437 HydrophobicContact CD1-CE2 4.4Å; L317-Y437 WeakPolarHBondContact CD1-OH 3.4Å; L317-K461 HydrophobicContact CD1-CB 3.64Å; L317-K461 HydrophobicContact CD1-CD 3.64Å; L317-K461 HydrophobicContact CD1-CG 3.66Å
318	T	87	Confident	95.5	Very high	131 Å²	131	31.6 Å²	31.6	80%	0.804	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.6	176.9	61.6	0	0	0	0	112.2	S316	S316-T318 VanDerWaalsContact C-N 3.25Å; S316-T318 PolarHBondContact O-N 3.35Å; S316-T318 PolarHBondContact OG-OG1 2.89Å; S316-T318 VanDerWaalsContact OG-OG1 3.04Å
319	R	89	Confident	95.5	Very high	98 Å²	98	31.3 Å²	31.3	37%	0.37	17%	0.17	S	C	.	.	S	Bend	trans	-90.5	128.3	179.7	-177.5	172.4	170.5	-153.9	-12.2	110	N35 S316 L317	N35-R319 PolarHBondContact ND2-NH1 3.04Å; N35-R319 PolarHBondContact OD1-NH1 2.93Å; S316-R319 PolarHBondContact O-N 2.9Å; L317-R319 VanDerWaalsContact C-N 3.3Å
320	T	91.9	Very high	95.6	Very high	121 Å²	121	31.4 Å²	31.4	74%	0.742	17%	0.171	S	C	*	.			trans	-78.6	144.6	174.3	55.7	0	0	0	0	110.9
321	F	95.1	Very high	95.5	Very high	31 Å²	31	30.9 Å²	30.9	14%	0.136	17%	0.169	C	C	.	.			trans	-139.2	160	166.9	63.7	-89.3	0	0	0	108.1	I312 V313 I323 V326 N395 V433	I312-F321 HydrophobicContact CG2-CB 4.39Å; V313-F321 HydrophobicContact CB-CE1 4.36Å; V313-F321 HydrophobicContact CB-CZ 4.49Å; V313-F321 HydrophobicContact CG1-CD1 4.34Å; V313-F321 HydrophobicContact CG1-CE1 3.76Å; V313-F321 HydrophobicContact CG1-CZ 4Å; V313-F321 HydrophobicContact CG2-CD1 4.37Å; V313-F321 HydrophobicContact CG2-CD2 4.03Å; V313-F321 HydrophobicContact CG2-CE1 4.16Å; V313-F321 HydrophobicContact CG2-CE2 3.81Å; V313-F321 HydrophobicContact CG2-CG 4.31Å; V313-F321 HydrophobicContact CG2-CZ 3.87Å; F321-I323 HydrophobicContact CE2-CD1 3.9Å; F321-I323 HydrophobicContact CZ-CD1 4.41Å; F321-V326 HydrophobicContact CD2-CG2 4.3Å; F321-V326 HydrophobicContact CE2-CG2 3.7Å; F321-N395 WeakPolarHBondContact CE1-ND2 3.37Å; F321-N395 HydrophobicContact CZ-CB 4.41Å; F321-N395 WeakPolarHBondContact CZ-ND2 3.24Å; F321-V433 HydrophobicContact CZ-CG2 4.24Å
322	D	97	Very high	95.5	Very high	67 Å²	67	31.3 Å²	31.3	36%	0.358	17%	0.171	S	C	.	.			trans	-82.8	121.1	174	-173	-2.8	0	0	0	110.1	T324 E325 N365	D322-T324 PolarHBondContact O-N 3.44Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.22Å; D322-T324 PolarHBondContact OD1-N 2.87Å; D322-T324 PolarHBondContact OD1-OG1 3.21Å; D322-T324 PolarHBondContact OD2-OG1 3.05Å; D322-E325 HydrophobicContact CB-CG 4.39Å; D322-E325 VanDerWaalsContact O-CB 3.26Å; D322-E325 WeakPolarHBondContact O-CB 3.5Å; D322-E325 PolarHBondContact O-N 2.97Å; D322-N365 PolarHBondContact OD1-ND2 3.19Å; D322-N365 PolarHBondContact OD1-OD1 2.69Å
323	I	98	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-23.2	178.3	-160.1	60.7	0	0	0	112.2	F321 E325 V326 I327 V348 N365 L393 V433	F321-I323 HydrophobicContact CE2-CD1 3.9Å; F321-I323 HydrophobicContact CZ-CD1 4.41Å; I323-E325 PolarHBondContact O-N 3.48Å; I323-V326 HydrophobicContact CD1-CB 4.17Å; I323-V326 HydrophobicContact CD1-CG2 4.1Å; I323-V326 WeakPolarHBondContact O-CB 3.33Å; I323-V326 PolarHBondContact O-N 3.17Å; I323-I327 WeakPolarHBondContact O-CG1 3.42Å; I323-I327 PolarHBondContact O-N 3.47Å; I323-V348 HydrophobicContact CG2-CB 3.78Å; I323-V348 HydrophobicContact CG2-CG1 4.45Å; I323-V348 HydrophobicContact CG2-CG2 3.62Å; I323-N365 VanDerWaalsContact CB-OD1 3.3Å; I323-N365 WeakPolarHBondContact CB-OD1 3.26Å; I323-N365 VanDerWaalsContact CG2-OD1 3.23Å; I323-N365 WeakPolarHBondContact CG2-OD1 3.3Å; I323-N365 PolarHBondContact N-OD1 2.76Å; I323-L393 HydrophobicContact CD1-CB 4.04Å; I323-L393 HydrophobicContact CD1-CD1 4.31Å; I323-L393 HydrophobicContact CG1-CB 4.16Å; I323-L393 HydrophobicContact CG1-CD1 4.13Å; I323-V433 HydrophobicContact CD1-CG2 3.83Å
324	T	98.1	Very high	95.5	Very high	17 Å²	17	33 Å²	33	10%	0.104	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-28.4	173.4	70	0	0	0	0	111.8	D322 V326 I327 A328 V348	D322-T324 PolarHBondContact O-N 3.44Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.22Å; D322-T324 PolarHBondContact OD1-N 2.87Å; D322-T324 PolarHBondContact OD1-OG1 3.21Å; D322-T324 PolarHBondContact OD2-OG1 3.05Å; T324-V326 VanDerWaalsContact C-N 3.27Å; T324-V326 PolarHBondContact O-N 3.25Å; T324-I327 PolarHBondContact O-N 3.18Å; T324-A328 VanDerWaalsContact O-CB 3.28Å; T324-A328 WeakPolarHBondContact O-CB 3.44Å; T324-A328 PolarHBondContact O-N 3.06Å; T324-V348 HydrophobicContact CG2-CG1 4.06Å; T324-V348 HydrophobicContact CG2-CG2 4.32Å
325	E	98.2	Very high	95.5	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.093	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-31.1	173.6	-67	-63.6	160.4	0	0	112.4	T23 I312 D322 I323 R329	T23-E325 WeakPolarHBondContact CB-OE1 3.23Å; T23-E325 WeakPolarHBondContact CG2-OE1 3.36Å; T23-E325 PolarHBondContact N-OE1 3.17Å; T23-E325 PolarHBondContact N-OE2 3.24Å; T23-E325 PolarHBondContact OG1-OE1 2.99Å; I312-E325 HydrophobicContact CD1-CB 4.23Å; I312-E325 HydrophobicContact CG2-CB 3.92Å; I312-E325 HydrophobicContact CG2-CG 4.46Å; D322-E325 HydrophobicContact CB-CG 4.39Å; D322-E325 VanDerWaalsContact O-CB 3.26Å; D322-E325 WeakPolarHBondContact O-CB 3.5Å; D322-E325 PolarHBondContact O-N 2.97Å; I323-E325 PolarHBondContact O-N 3.48Å; E325-R329 PolarHBondContact O-NH1 2.79Å; E325-R329 IonicContact OE2-CZ 3.62Å; E325-R329 IonicContact OE2-NH1 2.96Å; E325-R329 PolarHBondContact OE2-NH1 2.71Å; E325-R329 IonicContact OE2-NH2 3.87Å
326	V	98.4	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.3	-46.8	172.3	-179.3	0	0	0	0	110.2	L309 V313 F321 I323 T324 A328 R329 I330 L393 V433 W457	L309-V326 HydrophobicContact CD2-CB 4.3Å; L309-V326 HydrophobicContact CD2-CG1 4.36Å; L309-V326 HydrophobicContact CD2-CG2 4.1Å; V313-V326 HydrophobicContact CG2-CG2 3.94Å; F321-V326 HydrophobicContact CD2-CG2 4.3Å; F321-V326 HydrophobicContact CE2-CG2 3.7Å; I323-V326 HydrophobicContact CD1-CB 4.17Å; I323-V326 HydrophobicContact CD1-CG2 4.1Å; I323-V326 WeakPolarHBondContact O-CB 3.33Å; I323-V326 PolarHBondContact O-N 3.17Å; T324-V326 VanDerWaalsContact C-N 3.27Å; T324-V326 PolarHBondContact O-N 3.25Å; V326-A328 VanDerWaalsContact C-N 3.32Å; V326-A328 PolarHBondContact O-N 3.19Å; V326-R329 PolarHBondContact O-N 3.45Å; V326-I330 HydrophobicContact CG1-CD1 3.72Å; V326-I330 WeakPolarHBondContact O-CG1 3.17Å; V326-I330 PolarHBondContact O-N 2.95Å; V326-L393 HydrophobicContact CG1-CD1 4.34Å; V326-V433 HydrophobicContact CG1-CG1 4.49Å; V326-W457 HydrophobicContact CG1-CH2 4Å; V326-W457 HydrophobicContact CG1-CZ2 4.27Å; V326-W457 HydrophobicContact CG2-CH2 4.33Å
327	I	98.6	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-47	178.6	-62.4	172.5	0	0	0	110.3	I21 I323 T324 R329 I330 V331 F336 V348 I361 L393	I21-I327 HydrophobicContact CD1-CB 3.97Å; I21-I327 HydrophobicContact CD1-CG2 3.79Å; I323-I327 WeakPolarHBondContact O-CG1 3.42Å; I323-I327 PolarHBondContact O-N 3.47Å; T324-I327 PolarHBondContact O-N 3.18Å; I327-R329 PolarHBondContact O-N 2.81Å; I327-R329 VanDerWaalsContact O-N 3.07Å; I327-I330 PolarHBondContact O-N 3.04Å; I327-V331 HydrophobicContact CG2-CG1 3.75Å; I327-V331 HydrophobicContact CG2-CG2 4.15Å; I327-V331 WeakPolarHBondContact O-CG2 3.48Å; I327-V331 PolarHBondContact O-N 3.22Å; I327-F336 HydrophobicContact CD1-CE1 4.35Å; I327-F336 HydrophobicContact CD1-CE2 4.27Å; I327-F336 HydrophobicContact CD1-CZ 4.01Å; I327-F336 HydrophobicContact CG2-CB 4.44Å; I327-F336 HydrophobicContact CG2-CD2 3.9Å; I327-F336 HydrophobicContact CG2-CE2 4.29Å; I327-F336 HydrophobicContact CG2-CG 4.16Å; I327-V348 HydrophobicContact CD1-CG1 4.21Å; I327-I361 HydrophobicContact CD1-CG2 3.85Å; I327-I361 HydrophobicContact CG1-CG2 4.1Å; I327-I361 HydrophobicContact CG2-CD1 3.84Å; I327-L393 HydrophobicContact CD1-CD1 4.42Å; I327-L393 HydrophobicContact CG1-CD1 3.65Å
328	A	98.4	Very high	96.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.9	-26.7	-178	0	0	0	0	0	113.8	I21 L304 T324 V326 S334	I21-A328 HydrophobicContact CD1-CB 4.09Å; I21-A328 HydrophobicContact CG1-CB 3.9Å; I21-A328 WeakPolarHBondContact O-CB 3.48Å; L304-A328 HydrophobicContact CD1-CB 3.96Å; T324-A328 VanDerWaalsContact O-CB 3.28Å; T324-A328 WeakPolarHBondContact O-CB 3.44Å; T324-A328 PolarHBondContact O-N 3.06Å; V326-A328 VanDerWaalsContact C-N 3.32Å; V326-A328 PolarHBondContact O-N 3.19Å; A328-S334 WeakPolarHBondContact O-CB 3.43Å; A328-S334 PolarHBondContact O-OG 3.06Å
329	R	98.3	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-97.1	-4.8	-179.5	-72.5	165.3	178.5	81.5	1.9	113.7	T23 P302 L304 P305 D308 L309 E325 V326 I327	T23-R329 PolarHBondContact O-NH2 3.22Å; P302-R329 WeakPolarHBondContact CG-O 3.2Å; L304-R329 HydrophobicContact CB-CG 3.88Å; P305-R329 WeakPolarHBondContact O-CD 3.48Å; P305-R329 PolarHBondContact O-NE 3.34Å; D308-R329 IonicContact OD2-CZ 2.58Å; D308-R329 IonicContact OD2-NE 3.71Å; D308-R329 IonicContact OD2-NH2 3.82Å; D308-R329 PolarHBondContact OD2-NH2 2.89Å; L309-R329 HydrophobicContact CD1-CB 4.4Å; L309-R329 HydrophobicContact CD2-CB 4.12Å; L309-R329 HydrophobicContact CD2-CG 4.46Å; L309-R329 HydrophobicContact CG-CB 4.25Å; E325-R329 PolarHBondContact O-NH1 2.79Å; E325-R329 IonicContact OE2-CZ 3.62Å; E325-R329 IonicContact OE2-NH1 2.96Å; E325-R329 PolarHBondContact OE2-NH1 2.71Å; E325-R329 IonicContact OE2-NH2 3.87Å; V326-R329 PolarHBondContact O-N 3.45Å; I327-R329 PolarHBondContact O-N 2.81Å; I327-R329 VanDerWaalsContact O-N 3.07Å
330	I	97.9	Very high	97.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-106	-37.9	179.5	-66.9	174.7	0	0	0	111.2	V326 I327 L354 L431 R530 L533	V326-I330 HydrophobicContact CG1-CD1 3.72Å; V326-I330 WeakPolarHBondContact O-CG1 3.17Å; V326-I330 PolarHBondContact O-N 2.95Å; I327-I330 PolarHBondContact O-N 3.04Å; I330-L354 HydrophobicContact CG2-CD1 4.2Å; I330-L354 WeakPolarHBondContact O-CD1 3.39Å; I330-L431 HydrophobicContact CD1-CD2 4.45Å; I330-R530 WeakPolarHBondContact O-CD 3.39Å; I330-R530 WeakPolarHBondContact O-CG 3.48Å; I330-R530 PolarHBondContact O-NH1 3.23Å; I330-L533 HydrophobicContact CD1-CD1 4.37Å; I330-L533 HydrophobicContact CG2-CD1 4.05Å
331	V	97.8	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	13%	0.13	C	C	.	.	S	Bend	trans	-90.8	154.9	-169.9	-54.2	0	0	0	0	113	P302 I327 E333 S334 K335 A352 R353 I361	P302-V331 WeakPolarHBondContact CA-O 3.29Å; P302-V331 WeakPolarHBondContact CB-O 3.15Å; P302-V331 WeakPolarHBondContact CG-O 3.24Å; I327-V331 HydrophobicContact CG2-CG1 3.75Å; I327-V331 HydrophobicContact CG2-CG2 4.15Å; I327-V331 WeakPolarHBondContact O-CG2 3.48Å; I327-V331 PolarHBondContact O-N 3.22Å; V331-E333 PolarHBondContact O-N 2.84Å; V331-S334 PolarHBondContact O-N 2.93Å; V331-K335 WeakPolarHBondContact CG2-O 3.26Å; V331-A352 HydrophobicContact CB-CB 3.77Å; V331-A352 HydrophobicContact CG1-CB 3.46Å; V331-A352 VanDerWaalsContact CG1-CB 3.46Å; V331-A352 HydrophobicContact CG2-CB 4.23Å; V331-R353 WeakPolarHBondContact CA-O 3.02Å; V331-R353 WeakPolarHBondContact CB-O 3.48Å; V331-I361 HydrophobicContact CG1-CD1 3.57Å
332	D	96.2	Very high	97.8	Very high	9 Å²	9	36 Å²	36	5%	0.048	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-58	132	-178.9	-59	-9.2	0	0	0	110.8	Q300 S334 K335 R353 Y355 G356 R530	Q300-D332 WeakPolarHBondContact O-CA 2.94Å; Q300-D332 WeakPolarHBondContact O-CB 3.5Å; D332-S334 PolarHBondContact O-N 3.13Å; D332-K335 PolarHBondContact O-N 3.13Å; D332-R353 HydrophobicContact CB-CB 4.04Å; D332-R353 PolarHBondContact N-O 2.92Å; D332-R353 WeakPolarHBondContact OD2-CB 3.4Å; D332-Y355 PolarHBondContact OD1-N 3.31Å; D332-Y355 PolarHBondContact OD2-N 3.04Å; D332-G356 WeakPolarHBondContact OD2-CA 3.14Å; D332-G356 PolarHBondContact OD2-N 3.41Å; D332-R530 IonicContact OD1-CZ 2.79Å; D332-R530 IonicContact OD1-NH1 3.69Å; D332-R530 PolarHBondContact OD1-NH1 3.17Å; D332-R530 IonicContact OD1-NH2 3.69Å; D332-R530 PolarHBondContact OD1-NH2 2.7Å
333	E	95.9	Very high	97.9	Very high	60 Å²	60	37.3 Å²	37.3	28%	0.28	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	54.8	13.5	-179	-54.6	-178	68.4	0	0	115.3	Q300 P301 K303 V331 K335	Q300-E333 HydrophobicContact CB-CG 3.38Å; Q300-E333 HydrophobicContact CG-CG 4.1Å; P301-E333 WeakPolarHBondContact O-CA 3.43Å; P301-E333 PolarHBondContact O-N 3.11Å; K303-E333 WeakPolarHBondContact CD-O 3.47Å; K303-E333 WeakPolarHBondContact CE-O 3.31Å; K303-E333 WeakPolarHBondContact CG-O 3.46Å; V331-E333 PolarHBondContact O-N 2.84Å; E333-K335 HydrophobicContact CB-CD 3.94Å; E333-K335 HydrophobicContact CB-CG 3.87Å; E333-K335 PolarHBondContact O-N 2.63Å; E333-K335 VanDerWaalsContact OE1-CE 3.27Å; E333-K335 WeakPolarHBondContact OE1-CE 3.47Å; E333-K335 IonicContact OE1-NZ 3.97Å; E333-K335 PolarHBondContact OE1-NZ 2.94Å; E333-K335 IonicContact OE2-NZ 3.8Å; E333-K335 PolarHBondContact OE2-NZ 3.46Å
334	S	97.4	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	55.9	27.7	-170.2	-51.1	0	0	0	0	112.8	T20 I21 K303 A328 V331 D332	T20-S334 WeakPolarHBondContact CA-O 3.15Å; I21-S334 VanDerWaalsContact CG1-O 3.27Å; I21-S334 WeakPolarHBondContact CG1-O 3.46Å; I21-S334 PolarHBondContact N-O 3.46Å; K303-S334 PolarHBondContact N-OG 3.07Å; A328-S334 WeakPolarHBondContact O-CB 3.43Å; A328-S334 PolarHBondContact O-OG 3.06Å; V331-S334 PolarHBondContact O-N 2.93Å; D332-S334 PolarHBondContact O-N 3.13Å
335	K	97.5	Very high	97.8	Very high	28 Å²	28	41.3 Å²	41.3	12%	0.122	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-89	129.3	-179.1	-75.6	178.3	-179.4	164.7	0	111.7	W18 P19 V331 D332 E333	W18-K335 HydrophobicContact CB-CB 3.99Å; W18-K335 HydrophobicContact CB-CD 4.49Å; W18-K335 HydrophobicContact CB-CG 4.47Å; P19-K335 WeakPolarHBondContact O-CA 3.49Å; V331-K335 WeakPolarHBondContact CG2-O 3.26Å; D332-K335 PolarHBondContact O-N 3.13Å; E333-K335 HydrophobicContact CB-CD 3.94Å; E333-K335 HydrophobicContact CB-CG 3.87Å; E333-K335 PolarHBondContact O-N 2.63Å; E333-K335 VanDerWaalsContact OE1-CE 3.27Å; E333-K335 WeakPolarHBondContact OE1-CE 3.47Å; E333-K335 IonicContact OE1-NZ 3.97Å; E333-K335 PolarHBondContact OE1-NZ 2.94Å; E333-K335 IonicContact OE2-NZ 3.8Å; E333-K335 PolarHBondContact OE2-NZ 3.46Å
336	F	98.2	Very high	97.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	122.5	-178.4	-176.4	-117.3	0	0	0	111.8	P19 I21 I327 E338 V348 G350 F351 A352 I361	P19-F336 VanDerWaalsContact CG-O 3.32Å; P19-F336 WeakPolarHBondContact CG-O 3.44Å; P19-F336 PolarHBondContact O-N 2.92Å; I21-F336 HydrophobicContact CD1-CB 3.44Å; I21-F336 VanDerWaalsContact CD1-CB 3.44Å; I21-F336 HydrophobicContact CD1-CD1 4.02Å; I21-F336 HydrophobicContact CD1-CG 3.92Å; I21-F336 HydrophobicContact CG1-CB 3.73Å; I21-F336 HydrophobicContact CG2-CB 4.07Å; I327-F336 HydrophobicContact CD1-CE1 4.35Å; I327-F336 HydrophobicContact CD1-CE2 4.27Å; I327-F336 HydrophobicContact CD1-CZ 4.01Å; I327-F336 HydrophobicContact CG2-CB 4.44Å; I327-F336 HydrophobicContact CG2-CD2 3.9Å; I327-F336 HydrophobicContact CG2-CE2 4.29Å; I327-F336 HydrophobicContact CG2-CG 4.16Å; F336-E338 HydrophobicContact CD1-CB 4.13Å; F336-E338 HydrophobicContact CE1-CB 3.85Å; F336-E338 HydrophobicContact CE1-CG 3.95Å; F336-V348 HydrophobicContact CE1-CG1 3.66Å; F336-V348 HydrophobicContact CZ-CG1 3.89Å; F336-G350 VanDerWaalsContact CE2-CA 3.47Å; F336-F351 WeakPolarHBondContact CD2-O 3.39Å; F336-A352 HydrophobicContact CD2-CB 4.07Å; F336-I361 HydrophobicContact CE2-CB 4.08Å; F336-I361 HydrophobicContact CE2-CD1 4.33Å; F336-I361 HydrophobicContact CE2-CG1 4.49Å
337	F	97.9	Very high	97.8	Very high	110 Å²	110	41.5 Å²	41.5	48%	0.482	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	97.7	175.3	-178.9	-126.2	0	0	0	110.5	W18 G350 F351	W18-F337 HydrophobicContact CD2-CB 4.07Å; W18-F337 HydrophobicContact CG-CB 3.9Å; F337-G350 CarbonylContact O-C 3.56Å; F337-G350 WeakPolarHBondContact O-CA 3.35Å; F337-F351 HydrophobicContact CD1-CD2 4.16Å; F337-F351 PolarHBondContact N-O 3.48Å; F337-F351 PolarHBondContact O-N 3.39Å
338	E	98.3	Very high	97.8	Very high	43 Å²	43	41.6 Å²	41.6	20%	0.201	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	-175	-165.8	174	173.5	0	0	112.6	F336 Q341 V348 C349 K375	F336-E338 HydrophobicContact CD1-CB 4.13Å; F336-E338 HydrophobicContact CE1-CB 3.85Å; F336-E338 HydrophobicContact CE1-CG 3.95Å; E338-Q341 HydrophobicContact CB-CB 4.33Å; E338-Q341 HydrophobicContact CG-CB 4.04Å; E338-Q341 HydrophobicContact CG-CG 4.43Å; E338-Q341 WeakPolarHBondContact OE2-CG 3.25Å; E338-V348 HydrophobicContact CG-CG1 4.46Å; E338-C349 WeakPolarHBondContact CG-O 3.22Å; E338-K375 IonicContact OE1-NZ 3.71Å
339	F	98.6	Very high	97.8	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.4	175.1	174.5	-108.6	0	0	0	110.3	Q341 C349 K375 H378 F379 L382	F339-Q341 VanDerWaalsContact C-N 3.3Å; F339-Q341 PolarHBondContact O-N 3.17Å; F339-C349 HydrophobicContact CB-CB 4.36Å; F339-C349 HydrophobicContact CD1-CB 4.21Å; F339-C349 PolarHBondContact N-O 2.82Å; F339-K375 HydrophobicContact CD1-CG 4.42Å; F339-K375 WeakPolarHBondContact O-CE 3.44Å; F339-K375 PolarHBondContact O-NZ 3.49Å; F339-H378 HydrophobicContact CE1-CB 4.5Å; F339-H378 AromaticContact CZ-CD2 3.83Å; F339-H378 AromaticContact CZ-CG 3.93Å; F339-H378 AromaticContact CZ-NE2 3.94Å; F339-F379 HydrophobicContact CB-CD2 3.79Å; F339-F379 HydrophobicContact CB-CE2 3.87Å; F339-F379 HydrophobicContact CD1-CB 3.92Å; F339-F379 AromaticContact CD1-CD2 3.48Å; F339-F379 HydrophobicContact CD1-CD2 3.48Å; F339-F379 VanDerWaalsContact CD1-CD2 3.48Å; F339-F379 HydrophobicContact CD1-CE2 4.41Å; F339-F379 HydrophobicContact CD1-CG 4.06Å; F339-F379 HydrophobicContact CD2-CD2 4.48Å; F339-F379 HydrophobicContact CE1-CB 3.93Å; F339-F379 HydrophobicContact CE1-CD2 4.07Å; F339-F379 HydrophobicContact CE1-CG 4.49Å; F339-F379 AromaticContact CG-CD2 3.68Å; F339-F379 HydrophobicContact CG-CD2 3.68Å; F339-F379 HydrophobicContact CG-CE2 4.22Å; F339-L382 HydrophobicContact CD2-CD1 4.18Å; F339-L382 HydrophobicContact CE1-CD1 4.34Å; F339-L382 HydrophobicContact CE2-CD1 3.53Å; F339-L382 HydrophobicContact CZ-CD1 3.58Å
340	K	98.3	Very high	97.8	Very high	68 Å²	68	41.6 Å²	41.6	30%	0.296	19%	0.192	S	C	.	.	S	Bend	trans	51.2	48.9	-179.3	-73.4	-165.9	171.9	71.7	0	112	Y342 Y343 K375 H378	K340-Y342 PolarHBondContact O-N 3.24Å; K340-Y343 HydrophobicContact CD-CD1 3.75Å; K340-Y343 HydrophobicContact CD-CE1 4.38Å; K340-Y343 HydrophobicContact CD-CG 4.41Å; K340-Y343 PolarHBondContact O-N 2.83Å; K340-Y343 VanDerWaalsContact O-N 3.13Å; K340-K375 HydrophobicContact CB-CD 3.81Å; K340-K375 HydrophobicContact CB-CG 4.12Å; K340-K375 HydrophobicContact CD-CB 4.2Å; K340-K375 HydrophobicContact CD-CG 4.17Å; K340-K375 PolarHBondContact O-NZ 3.48Å; K340-H378 PolarHBondContact NZ-CE1 3.45Å; K340-H378 PolarHBondContact NZ-ND1 3.47Å
341	Q	97.3	Very high	97.9	Very high	92 Å²	92	42.1 Å²	42.1	43%	0.43	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-42.2	-176.9	178.7	174.7	10.2	0	0	113.4	E338 F339	E338-Q341 HydrophobicContact CB-CB 4.33Å; E338-Q341 HydrophobicContact CG-CB 4.04Å; E338-Q341 HydrophobicContact CG-CG 4.43Å; E338-Q341 WeakPolarHBondContact OE2-CG 3.25Å; F339-Q341 VanDerWaalsContact C-N 3.3Å; F339-Q341 PolarHBondContact O-N 3.17Å
342	Y	97.6	Very high	97.9	Very high	201 Å²	201	42 Å²	42	79%	0.788	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	10.3	-175.9	-52	-64.2	0	0	0	114.9	K340	K340-Y342 PolarHBondContact O-N 3.24Å
343	Y	98.3	Very high	97.9	Very high	94 Å²	94	46.8 Å²	46.8	37%	0.369	21%	0.211	S	C	.	.	S	Bend	trans	-127.9	130	-178.2	177.2	-89.6	0	0	0	110.2	K340 E371 K375	K340-Y343 HydrophobicContact CD-CD1 3.75Å; K340-Y343 HydrophobicContact CD-CE1 4.38Å; K340-Y343 HydrophobicContact CD-CG 4.41Å; K340-Y343 PolarHBondContact O-N 2.83Å; K340-Y343 VanDerWaalsContact O-N 3.13Å; Y343-E371 HydrophobicContact CD1-CB 4.28Å; Y343-E371 HydrophobicContact CE1-CB 3.71Å; Y343-E371 HydrophobicContact CE1-CG 4.38Å; Y343-E371 VanDerWaalsContact CE1-O 3.26Å; Y343-E371 WeakPolarHBondContact CE1-O 3.48Å; Y343-E371 HydrophobicContact CE2-CB 3.95Å; Y343-E371 HydrophobicContact CE2-CG 3.74Å; Y343-K375 HydrophobicContact CD1-CB 4.15Å; Y343-K375 HydrophobicContact CE1-CB 4.3Å; Y343-K375 WeakPolarHBondContact O-CD 3.5Å; Y343-K375 PolarHBondContact O-NZ 3.26Å
344	G	97.2	Very high	97.8	Very high	13 Å²	13	44 Å²	44	13%	0.134	20%	0.198	C	C	.	.	S	Bend	trans	56	53.6	-176.9	0	0	0	0	0	112.2	T346 L347 S372	G344-T346 PolarHBondContact O-N 2.87Å; G344-T346 VanDerWaalsContact O-N 3.13Å; G344-L347 PolarHBondContact O-N 3.46Å; G344-L347 VanDerWaalsContact O-N 3.08Å; G344-S372 WeakPolarHBondContact CA-OG 3.46Å; G344-S372 PolarHBondContact O-OG 3.29Å
345	T	97.7	Very high	97.7	Very high	87 Å²	87	46.9 Å²	46.9	53%	0.534	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.9	-169	54.9	0	0	0	0	114.3	L347	T345-L347 PolarHBondContact O-N 2.99Å
346	T	97.9	Very high	97.5	Very high	24 Å²	24	46 Å²	46	15%	0.147	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.4	173.3	66.9	0	0	0	0	113.5	G344 N365 I367 F369 S372	G344-T346 PolarHBondContact O-N 2.87Å; G344-T346 VanDerWaalsContact O-N 3.13Å; T346-N365 PolarHBondContact O-N 3.35Å; T346-I367 WeakPolarHBondContact CB-O 3.39Å; T346-I367 WeakPolarHBondContact CG2-O 3.2Å; T346-I367 PolarHBondContact OG1-O 3.18Å; T346-F369 HydrophobicContact CG2-CD2 3.84Å; T346-F369 HydrophobicContact CG2-CE2 3.86Å; T346-S372 PolarHBondContact OG1-OG 2.86Å
347	L	98.6	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	107.5	171.8	-167.7	76.3	0	0	0	109.5	G344 T345 I362 N364 S372 K375 M444	G344-L347 PolarHBondContact O-N 3.46Å; G344-L347 VanDerWaalsContact O-N 3.08Å; T345-L347 PolarHBondContact O-N 2.99Å; L347-I362 HydrophobicContact CD1-CG2 3.67Å; L347-I362 HydrophobicContact CD2-CG2 3.91Å; L347-I362 HydrophobicContact CG-CG2 3.84Å; L347-N364 WeakPolarHBondContact CD1-ND2 3.39Å; L347-S372 WeakPolarHBondContact CD2-O 3.46Å; L347-K375 WeakPolarHBondContact O-CE 3.45Å; L347-K375 PolarHBondContact O-NZ 3.46Å; L347-M444 HydrophobicContact CD1-CE 4Å; L347-M444 HydrophobicContact CD1-SD 3.58Å; L347-M444 VanDerWaalsContact CD1-SD 3.58Å
348	V	98.7	Very high	97.1	Very high	3 Å²	3	44 Å²	44	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.5	176.1	177.7	0	0	0	0	108.2	I323 T324 I327 F336 E338 I362 G363 N365	I323-V348 HydrophobicContact CG2-CB 3.78Å; I323-V348 HydrophobicContact CG2-CG1 4.45Å; I323-V348 HydrophobicContact CG2-CG2 3.62Å; T324-V348 HydrophobicContact CG2-CG1 4.06Å; T324-V348 HydrophobicContact CG2-CG2 4.32Å; I327-V348 HydrophobicContact CD1-CG1 4.21Å; F336-V348 HydrophobicContact CE1-CG1 3.66Å; F336-V348 HydrophobicContact CZ-CG1 3.89Å; E338-V348 HydrophobicContact CG-CG1 4.46Å; V348-I362 CarbonylContact O-C 3.51Å; V348-I362 WeakPolarHBondContact O-CA 3.48Å; V348-G363 PolarHBondContact N-O 3.21Å; V348-G363 PolarHBondContact O-N 2.71Å; V348-N365 VanDerWaalsContact CG2-ND2 3.33Å; V348-N365 WeakPolarHBondContact CG2-ND2 3.45Å
349	C	98.9	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.2	176.2	-63.9	0	0	0	0	108.7	E338 F339 I361 K375 F379	E338-C349 WeakPolarHBondContact CG-O 3.22Å; F339-C349 HydrophobicContact CB-CB 4.36Å; F339-C349 HydrophobicContact CD1-CB 4.21Å; F339-C349 PolarHBondContact N-O 2.82Å; C349-I361 CarbonylContact C-O 3.49Å; C349-I361 VanDerWaalsContact CA-O 3.27Å; C349-I361 WeakPolarHBondContact CA-O 3.43Å; C349-K375 HydrophobicContact CB-CG 4.44Å; C349-F379 HydrophobicContact CB-CB 4.09Å; C349-F379 HydrophobicContact CB-CD1 3.83Å; C349-F379 HydrophobicContact CB-CD2 4.05Å; C349-F379 HydrophobicContact CB-CE1 4.27Å; C349-F379 HydrophobicContact CB-CE2 4.47Å; C349-F379 HydrophobicContact CB-CG 3.71Å
350	G	98.6	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	174.9	175.6	0	0	0	0	0	113.8	F336 F337 I361 F379	F336-G350 VanDerWaalsContact CE2-CA 3.47Å; F337-G350 CarbonylContact O-C 3.56Å; F337-G350 WeakPolarHBondContact O-CA 3.35Å; G350-I361 PolarHBondContact N-O 2.61Å; G350-I361 PolarHBondContact O-N 2.75Å; G350-F379 VanDerWaalsContact C-CZ 3.49Å; G350-F379 WeakPolarHBondContact O-CZ 3.46Å
351	F	98.6	Very high	97.1	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.053	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.9	-179.7	-60.7	-76.1	0	0	0	110.8	W18 F336 F337 T358 V359 F379 R386 I388	W18-F351 HydrophobicContact CH2-CB 4.13Å; W18-F351 HydrophobicContact CZ2-CB 4.25Å; F336-F351 WeakPolarHBondContact CD2-O 3.39Å; F337-F351 HydrophobicContact CD1-CD2 4.16Å; F337-F351 PolarHBondContact N-O 3.48Å; F337-F351 PolarHBondContact O-N 3.39Å; F351-T358 HydrophobicContact CD1-CG2 4.5Å; F351-V359 WeakPolarHBondContact CA-O 3.42Å; F351-F379 HydrophobicContact CD1-CE2 4.4Å; F351-F379 HydrophobicContact CD1-CZ 4.12Å; F351-F379 HydrophobicContact CD2-CE2 4.11Å; F351-F379 HydrophobicContact CD2-CZ 4.48Å; F351-F379 AromaticContact CE1-CE2 3.91Å; F351-F379 HydrophobicContact CE1-CE2 3.91Å; F351-F379 AromaticContact CE1-CZ 3.85Å; F351-F379 HydrophobicContact CE1-CZ 3.85Å; F351-F379 AromaticContact CE2-CE2 3.6Å; F351-F379 HydrophobicContact CE2-CE2 3.6Å; F351-F379 HydrophobicContact CE2-CZ 4.25Å; F351-F379 HydrophobicContact CG-CZ 4.42Å; F351-F379 HydrophobicContact CZ-CD2 4.36Å; F351-F379 AromaticContact CZ-CE2 3.47Å; F351-F379 HydrophobicContact CZ-CE2 3.47Å; F351-F379 VanDerWaalsContact CZ-CE2 3.47Å; F351-F379 AromaticContact CZ-CZ 3.93Å; F351-F379 HydrophobicContact CZ-CZ 3.93Å; F351-R386 VanDerWaalsContact CZ-NH1 3.3Å; F351-I388 HydrophobicContact CD1-CD1 4.07Å; F351-I388 HydrophobicContact CD1-CG2 4.49Å; F351-I388 HydrophobicContact CE1-CD1 3.7Å; F351-I388 HydrophobicContact CE1-CG2 4.49Å
352	A	97.9	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	174.7	173.6	0	0	0	0	0	110.4	W18 V331 F336 T358 V359 I361	W18-A352 VanDerWaalsContact CZ3-CA 3.46Å; V331-A352 HydrophobicContact CB-CB 3.77Å; V331-A352 HydrophobicContact CG1-CB 3.46Å; V331-A352 VanDerWaalsContact CG1-CB 3.46Å; V331-A352 HydrophobicContact CG2-CB 4.23Å; F336-A352 HydrophobicContact CD2-CB 4.07Å; A352-T358 WeakPolarHBondContact O-CA 3.33Å; A352-V359 HydrophobicContact CB-CG2 4.1Å; A352-V359 PolarHBondContact N-O 2.89Å; A352-V359 PolarHBondContact O-N 2.7Å; A352-I361 HydrophobicContact CB-CD1 3.68Å; A352-I361 HydrophobicContact CB-CG1 4.45Å
353	R	96	Very high	97.3	Very high	108 Å²	108	23.2 Å²	23.2	41%	0.408	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.5	166.1	-69.9	-175.7	-175.8	-126	10.5	109.6	W18 V331 D332 G356 I357	W18-R353 HydrophobicContact CH2-CG 4.27Å; W18-R353 HydrophobicContact CZ3-CG 3.86Å; V331-R353 WeakPolarHBondContact CA-O 3.02Å; V331-R353 WeakPolarHBondContact CB-O 3.48Å; D332-R353 HydrophobicContact CB-CB 4.04Å; D332-R353 PolarHBondContact N-O 2.92Å; D332-R353 WeakPolarHBondContact OD2-CB 3.4Å; R353-G356 PolarHBondContact NH1-O 2.85Å; R353-G356 VanDerWaalsContact NH1-O 3.14Å; R353-I357 CarbonylContact C-O 3.59Å; R353-I357 VanDerWaalsContact CA-O 3.27Å; R353-I357 WeakPolarHBondContact CA-O 3.3Å
354	L	95.5	Very high	97.3	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111.3	171.8	179.2	60.2	0	0	0	107.7	I330 G356 I357 V359 R530 L533 L537	I330-L354 HydrophobicContact CG2-CD1 4.2Å; I330-L354 WeakPolarHBondContact O-CD1 3.39Å; L354-G356 PolarHBondContact O-N 3.34Å; L354-I357 PolarHBondContact N-O 2.94Å; L354-I357 PolarHBondContact O-N 3.26Å; L354-V359 HydrophobicContact CB-CG1 4.15Å; L354-V359 HydrophobicContact CB-CG2 4.28Å; L354-R530 HydrophobicContact CD1-CG 4.07Å; L354-L533 HydrophobicContact CD2-CB 3.84Å; L354-L537 HydrophobicContact CB-CD2 4.1Å; L354-L537 HydrophobicContact CD2-CD2 4.12Å; L354-L537 HydrophobicContact CG-CD2 4.2Å
355	Y	94.7	Very high	97.3	Very high	59 Å²	59	20.4 Å²	20.4	23%	0.231	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.4	-171.3	-67.7	-87	0	0	0	112.8	V299 D332 I357 R530	V299-Y355 HydrophobicContact CG1-CD1 4.08Å; D332-Y355 PolarHBondContact OD1-N 3.31Å; D332-Y355 PolarHBondContact OD2-N 3.04Å; Y355-I357 PolarHBondContact O-N 3.33Å; Y355-R530 HydrophobicContact CE2-CG 3.82Å; Y355-R530 WeakPolarHBondContact CE2-O 3.2Å
356	G	92.9	Very high	97	Very high	11 Å²	11	17.3 Å²	17.3	11%	0.113	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-15.5	178.9	0	0	0	0	0	115.3	D332 R353 L354	D332-G356 WeakPolarHBondContact OD2-CA 3.14Å; D332-G356 PolarHBondContact OD2-N 3.41Å; R353-G356 PolarHBondContact NH1-O 2.85Å; R353-G356 VanDerWaalsContact NH1-O 3.14Å; L354-G356 PolarHBondContact O-N 3.34Å
357	I	92.8	Very high	96.9	Very high	23 Å²	23	19.1 Å²	19.1	12%	0.118	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.8	179.8	-57	-57.5	0	0	0	110	V291 F293 R353 L354 Y355 V359 P389 L537 V541	V291-I357 HydrophobicContact CG1-CD1 4.17Å; F293-I357 HydrophobicContact CD1-CD1 3.95Å; F293-I357 HydrophobicContact CD1-CG1 3.72Å; F293-I357 HydrophobicContact CE1-CD1 3.81Å; F293-I357 HydrophobicContact CE1-CG1 3.2Å; F293-I357 HydrophobicContact CE2-CD1 4.38Å; F293-I357 HydrophobicContact CE2-CG1 4.46Å; F293-I357 HydrophobicContact CG-CD1 4.3Å; F293-I357 HydrophobicContact CZ-CD1 3.99Å; F293-I357 HydrophobicContact CZ-CG1 3.59Å; R353-I357 CarbonylContact C-O 3.59Å; R353-I357 VanDerWaalsContact CA-O 3.27Å; R353-I357 WeakPolarHBondContact CA-O 3.3Å; L354-I357 PolarHBondContact N-O 2.94Å; L354-I357 PolarHBondContact O-N 3.26Å; Y355-I357 PolarHBondContact O-N 3.33Å; I357-V359 PolarHBondContact O-N 2.59Å; I357-P389 HydrophobicContact CG2-CG 4.37Å; I357-L537 HydrophobicContact CB-CD2 3.88Å; I357-L537 HydrophobicContact CG1-CD2 4.43Å; I357-L537 HydrophobicContact CG2-CD2 4.02Å; I357-V541 HydrophobicContact CG2-CG1 4.37Å
358	T	95.5	Very high	96.8	Very high	46 Å²	46	19.1 Å²	19.1	28%	0.282	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.1	174.8	-61	0	0	0	0	110	W18 F351 A352 I388 P389	W18-T358 HydrophobicContact CH2-CG2 4.38Å; F351-T358 HydrophobicContact CD1-CG2 4.5Å; A352-T358 WeakPolarHBondContact O-CA 3.33Å; T358-I388 HydrophobicContact CG2-CD1 4.05Å; T358-I388 HydrophobicContact CG2-CG1 4.37Å; T358-I388 HydrophobicContact CG2-CG2 4.19Å; T358-P389 WeakPolarHBondContact O-CD 3.47Å
359	V	97.9	Very high	96.8	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.3	176.6	-62.3	0	0	0	0	109.7	F351 A352 L354 I357 I361 P389 L537	F351-V359 WeakPolarHBondContact CA-O 3.42Å; A352-V359 HydrophobicContact CB-CG2 4.1Å; A352-V359 PolarHBondContact N-O 2.89Å; A352-V359 PolarHBondContact O-N 2.7Å; L354-V359 HydrophobicContact CB-CG1 4.15Å; L354-V359 HydrophobicContact CB-CG2 4.28Å; I357-V359 PolarHBondContact O-N 2.59Å; V359-I361 HydrophobicContact CG2-CD1 4.12Å; V359-I361 HydrophobicContact CG2-CG1 3.93Å; V359-P389 WeakPolarHBondContact CA-O 3.29Å; V359-P389 HydrophobicContact CG1-CG 4.13Å; V359-L537 HydrophobicContact CG1-CD1 4.23Å; V359-L537 HydrophobicContact CG1-CD2 3.74Å
360	G	98.7	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.2	162.6	0	0	0	0	0	108.9	I388 P389 I390 L391	G360-I388 VanDerWaalsContact N-CG2 3.3Å; G360-P389 PolarHBondContact N-O 3.06Å; G360-I390 CarbonylContact O-C 3.37Å; G360-I390 VanDerWaalsContact O-CA 3.26Å; G360-I390 WeakPolarHBondContact O-CA 3.32Å; G360-L391 PolarHBondContact O-N 2.95Å
361	I	98.9	Very high	96.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	179.4	-53.8	-179.2	0	0	0	108.9	I327 V331 F336 C349 G350 A352 V359 F379 L391 L393	I327-I361 HydrophobicContact CD1-CG2 3.85Å; I327-I361 HydrophobicContact CG1-CG2 4.1Å; I327-I361 HydrophobicContact CG2-CD1 3.84Å; V331-I361 HydrophobicContact CG1-CD1 3.57Å; F336-I361 HydrophobicContact CE2-CB 4.08Å; F336-I361 HydrophobicContact CE2-CD1 4.33Å; F336-I361 HydrophobicContact CE2-CG1 4.49Å; C349-I361 CarbonylContact C-O 3.49Å; C349-I361 VanDerWaalsContact CA-O 3.27Å; C349-I361 WeakPolarHBondContact CA-O 3.43Å; G350-I361 PolarHBondContact N-O 2.61Å; G350-I361 PolarHBondContact O-N 2.75Å; A352-I361 HydrophobicContact CB-CD1 3.68Å; A352-I361 HydrophobicContact CB-CG1 4.45Å; V359-I361 HydrophobicContact CG2-CD1 4.12Å; V359-I361 HydrophobicContact CG2-CG1 3.93Å; I361-F379 WeakPolarHBondContact O-CE1 3.37Å; I361-L391 WeakPolarHBondContact CA-O 3.36Å; I361-L391 HydrophobicContact CD1-CD2 4.48Å; I361-L391 HydrophobicContact CG1-CB 4.35Å; I361-L391 HydrophobicContact CG1-CD2 4.47Å; I361-L393 HydrophobicContact CG2-CD1 4.04Å; I361-L393 HydrophobicContact CG2-CG 4.26Å
362	I	98.9	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.1	172.1	-55.8	-180	0	0	0	107.7	L347 V348 F379 V380 I390 L391 F392 L393 M444	L347-I362 HydrophobicContact CD1-CG2 3.67Å; L347-I362 HydrophobicContact CD2-CG2 3.91Å; L347-I362 HydrophobicContact CG-CG2 3.84Å; V348-I362 CarbonylContact O-C 3.51Å; V348-I362 WeakPolarHBondContact O-CA 3.48Å; I362-F379 HydrophobicContact CD1-CD1 3.95Å; I362-F379 HydrophobicContact CG1-CD1 3.67Å; I362-F379 HydrophobicContact CG1-CE1 4.06Å; I362-V380 HydrophobicContact CD1-CG2 3.57Å; I362-I390 HydrophobicContact CD1-CG2 4.1Å; I362-I390 HydrophobicContact CG1-CG2 4.23Å; I362-L391 PolarHBondContact N-O 2.74Å; I362-F392 HydrophobicContact CB-CD1 4.13Å; I362-F392 HydrophobicContact CB-CE1 4.36Å; I362-F392 HydrophobicContact CD1-CD1 4.37Å; I362-F392 HydrophobicContact CD1-CE1 3.74Å; I362-F392 HydrophobicContact CD1-CZ 4.15Å; I362-F392 HydrophobicContact CG2-CD1 4.47Å; I362-F392 CarbonylContact O-C 3.38Å; I362-F392 WeakPolarHBondContact O-CA 3.42Å; I362-L393 PolarHBondContact O-N 3.23Å; I362-M444 HydrophobicContact CB-CE 4.35Å; I362-M444 HydrophobicContact CG2-CE 3.69Å; I362-M444 HydrophobicContact CG2-SD 4.01Å; I362-M444 WeakPolarHBondContact O-CE 3.29Å
363	G	98.7	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.7	-177	0	0	0	0	0	113	V348 L393	V348-G363 PolarHBondContact N-O 3.21Å; V348-G363 PolarHBondContact O-N 2.71Å; G363-L393 WeakPolarHBondContact CA-O 3.23Å
364	N	98.6	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.9	179.9	-55.4	110	0	0	0	112.2	L347 L393 Q394 N395 V396 M444	L347-N364 WeakPolarHBondContact CD1-ND2 3.39Å; N364-L393 PolarHBondContact N-O 2.88Å; N364-L393 PolarHBondContact OD1-O 2.98Å; N364-Q394 WeakPolarHBondContact OD1-CA 3.22Å; N364-N395 HydrophobicContact CB-CB 4.26Å; N364-N395 WeakPolarHBondContact CB-O 3.29Å; N364-N395 PolarHBondContact OD1-N 3.33Å; N364-N395 VanDerWaalsContact OD1-N 3.15Å; N364-V396 HydrophobicContact CB-CB 4.36Å; N364-M444 PolarHBondContact ND2-SD 3.26Å; N364-M444 VanDerWaalsContact ND2-SD 3.41Å; N364-M444 VanDerWaalsContact OD1-CE 3.25Å; N364-M444 WeakPolarHBondContact OD1-CE 3.41Å
365	N	96.5	Very high	97	Very high	48 Å²	48	22.7 Å²	22.7	26%	0.257	12%	0.121	S	C	.	.	S	Bend	trans	-105.8	12.6	166.8	-92.6	-9.6	0	0	0	112.5	D322 I323 T346 V348	D322-N365 PolarHBondContact OD1-ND2 3.19Å; D322-N365 PolarHBondContact OD1-OD1 2.69Å; I323-N365 VanDerWaalsContact CB-OD1 3.3Å; I323-N365 WeakPolarHBondContact CB-OD1 3.26Å; I323-N365 VanDerWaalsContact CG2-OD1 3.23Å; I323-N365 WeakPolarHBondContact CG2-OD1 3.3Å; I323-N365 PolarHBondContact N-OD1 2.76Å; T346-N365 PolarHBondContact O-N 3.35Å; V348-N365 VanDerWaalsContact CG2-ND2 3.33Å; V348-N365 WeakPolarHBondContact CG2-ND2 3.45Å
366	G	92.3	Very high	97.2	Very high	22 Å²	22	19.9 Å²	19.9	23%	0.227	11%	0.11	C	C	.	.	S	Bend	trans	152.7	-149.5	178.6	0	0	0	0	0	112.9
367	I	94.8	Very high	97.4	Very high	62 Å²	62	19.6 Å²	19.6	32%	0.318	11%	0.106	S	C	.	.	S	Bend	trans	-67.6	143.8	-179.2	-62.3	167.4	0	0	0	110.5	T346 F369 T397 M400	T346-I367 WeakPolarHBondContact CB-O 3.39Å; T346-I367 WeakPolarHBondContact CG2-O 3.2Å; T346-I367 PolarHBondContact OG1-O 3.18Å; I367-F369 HydrophobicContact CB-CE2 4.39Å; I367-T397 WeakPolarHBondContact CG1-OG1 3.4Å; I367-M400 HydrophobicContact CG2-CB 3.96Å
368	I	97.6	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-83	120.7	176.1	-57.2	176.2	0	0	0	110.4	A373 V396 G398 F399 M400 A443 M444	I368-A373 HydrophobicContact CG2-CB 4.1Å; I368-V396 HydrophobicContact CD1-CG2 3.85Å; I368-V396 HydrophobicContact CG1-CG2 4.01Å; I368-G398 PolarHBondContact N-O 3.1Å; I368-F399 HydrophobicContact CB-CD1 3.84Å; I368-F399 HydrophobicContact CB-CD2 4.44Å; I368-F399 HydrophobicContact CB-CE1 3.9Å; I368-F399 HydrophobicContact CB-CE2 4.48Å; I368-F399 HydrophobicContact CB-CG 4.13Å; I368-F399 HydrophobicContact CB-CZ 4.22Å; I368-F399 HydrophobicContact CD1-CE2 4.06Å; I368-F399 HydrophobicContact CD1-CZ 4.06Å; I368-F399 HydrophobicContact CG2-CD1 3.69Å; I368-F399 HydrophobicContact CG2-CE1 3.34Å; I368-F399 HydrophobicContact CG2-CG 4.45Å; I368-F399 HydrophobicContact CG2-CZ 3.85Å; I368-F399 WeakPolarHBondContact O-CA 3.2Å; I368-M400 PolarHBondContact O-N 3.05Å; I368-A443 HydrophobicContact CD1-CB 3.99Å; I368-M444 HydrophobicContact CD1-CG 4.41Å
369	F	97.9	Very high	97.9	Very high	70 Å²	70	20.2 Å²	20.2	31%	0.307	11%	0.105	S	C	.	.	P	Polyproline II helix	trans	-97	171.1	169.1	-67.9	-93.2	0	0	0	111.3	T346 I367 E371 S372 A373 M400	T346-F369 HydrophobicContact CG2-CD2 3.84Å; T346-F369 HydrophobicContact CG2-CE2 3.86Å; I367-F369 HydrophobicContact CB-CE2 4.39Å; F369-E371 VanDerWaalsContact C-N 3.3Å; F369-E371 WeakPolarHBondContact CB-OE2 3.25Å; F369-E371 PolarHBondContact O-N 3.41Å; F369-S372 WeakPolarHBondContact O-CB 3.28Å; F369-S372 PolarHBondContact O-N 3Å; F369-S372 VanDerWaalsContact O-N 3.16Å; F369-A373 PolarHBondContact O-N 3.09Å; F369-M400 HydrophobicContact CD1-CB 3.81Å; F369-M400 HydrophobicContact CD1-CG 4.02Å; F369-M400 HydrophobicContact CE1-CB 3.74Å; F369-M400 HydrophobicContact CE1-CG 3.53Å; F369-M400 HydrophobicContact CE1-SD 3.98Å; F369-M400 HydrophobicContact CG-CB 4.45Å; F369-M400 HydrophobicContact CZ-CB 4.31Å; F369-M400 HydrophobicContact CZ-CG 4.2Å; F369-M400 HydrophobicContact CZ-SD 4.1Å
370	S	97.9	Very high	97.9	Very high	6 Å²	6	20 Å²	20	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-54.4	-44.6	177.3	-68.7	0	0	0	0	112.4	A373 L374 I410 H413	S370-A373 PolarHBondContact O-N 2.72Å; S370-L374 WeakPolarHBondContact O-CB 3.34Å; S370-L374 WeakPolarHBondContact O-CG 3.44Å; S370-L374 PolarHBondContact O-N 3.4Å; S370-I410 WeakPolarHBondContact OG-CA 3.34Å; S370-H413 PolarHBondContact OG-CD2 2.74Å
371	E	97.9	Very high	97.9	Very high	73 Å²	73	23.5 Å²	23.5	34%	0.341	12%	0.12	S	C	.	.	H	α-helix	trans	-62.4	-44.5	177.6	-61.9	74.7	-164.4	0	0	111.1	Y343 F369 A373 L374 K375	Y343-E371 HydrophobicContact CD1-CB 4.28Å; Y343-E371 HydrophobicContact CE1-CB 3.71Å; Y343-E371 HydrophobicContact CE1-CG 4.38Å; Y343-E371 VanDerWaalsContact CE1-O 3.26Å; Y343-E371 WeakPolarHBondContact CE1-O 3.48Å; Y343-E371 HydrophobicContact CE2-CB 3.95Å; Y343-E371 HydrophobicContact CE2-CG 3.74Å; F369-E371 VanDerWaalsContact C-N 3.3Å; F369-E371 WeakPolarHBondContact CB-OE2 3.25Å; F369-E371 PolarHBondContact O-N 3.41Å; E371-A373 VanDerWaalsContact C-N 3.35Å; E371-A373 PolarHBondContact O-N 2.86Å; E371-L374 PolarHBondContact O-N 3.49Å; E371-K375 VanDerWaalsContact O-CB 3.31Å; E371-K375 WeakPolarHBondContact O-CB 3.36Å; E371-K375 PolarHBondContact O-N 3.06Å
372	S	98.2	Very high	97.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-43.7	177.6	-57.6	0	0	0	0	111.1	G344 T346 L347 F369 K375 G376	G344-S372 WeakPolarHBondContact CA-OG 3.46Å; G344-S372 PolarHBondContact O-OG 3.29Å; T346-S372 PolarHBondContact OG1-OG 2.86Å; L347-S372 WeakPolarHBondContact CD2-O 3.46Å; F369-S372 WeakPolarHBondContact O-CB 3.28Å; F369-S372 PolarHBondContact O-N 3Å; F369-S372 VanDerWaalsContact O-N 3.16Å; S372-K375 PolarHBondContact O-N 3.08Å; S372-G376 PolarHBondContact O-N 3.22Å
373	A	98.5	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-42.9	176.5	0	0	0	0	0	112.4	I368 F369 S370 E371 G376 A377 F399 H413 L417	I368-A373 HydrophobicContact CG2-CB 4.1Å; F369-A373 PolarHBondContact O-N 3.09Å; S370-A373 PolarHBondContact O-N 2.72Å; E371-A373 VanDerWaalsContact C-N 3.35Å; E371-A373 PolarHBondContact O-N 2.86Å; A373-G376 PolarHBondContact O-N 3.29Å; A373-A377 WeakPolarHBondContact O-CB 3.38Å; A373-A377 PolarHBondContact O-N 3.19Å; A373-F399 HydrophobicContact CB-CE1 4.25Å; A373-H413 HydrophobicContact CB-CB 4.3Å; A373-H413 WeakPolarHBondContact CB-O 3.45Å; A373-L417 HydrophobicContact CB-CB 4.35Å
374	L	98.6	Very high	97.8	Very high	51 Å²	51	25.6 Å²	25.6	27%	0.267	13%	0.132	S	C	.	.	H	α-helix	trans	-61.9	-44.1	174.5	-74.8	171.9	0	0	0	112.3	S370 E371 A377 H378 H413 K416	S370-L374 WeakPolarHBondContact O-CB 3.34Å; S370-L374 WeakPolarHBondContact O-CG 3.44Å; S370-L374 PolarHBondContact O-N 3.4Å; E371-L374 PolarHBondContact O-N 3.49Å; L374-A377 PolarHBondContact O-N 3.15Å; L374-H378 WeakPolarHBondContact O-CB 3.33Å; L374-H378 PolarHBondContact O-N 2.79Å; L374-H413 WeakPolarHBondContact CD2-ND1 3.35Å; L374-H413 HydrophobicContact CG-CB 4.4Å; L374-H413 WeakPolarHBondContact CG-ND1 3.2Å; L374-K416 HydrophobicContact CD2-CD 3.57Å
375	K	98.7	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-50.4	174.6	168.2	173.4	173.1	177.2	0	111.1	E338 F339 K340 Y343 L347 C349 E371 S372 H378 F379	E338-K375 IonicContact OE1-NZ 3.71Å; F339-K375 HydrophobicContact CD1-CG 4.42Å; F339-K375 WeakPolarHBondContact O-CE 3.44Å; F339-K375 PolarHBondContact O-NZ 3.49Å; K340-K375 HydrophobicContact CB-CD 3.81Å; K340-K375 HydrophobicContact CB-CG 4.12Å; K340-K375 HydrophobicContact CD-CB 4.2Å; K340-K375 HydrophobicContact CD-CG 4.17Å; K340-K375 PolarHBondContact O-NZ 3.48Å; Y343-K375 HydrophobicContact CD1-CB 4.15Å; Y343-K375 HydrophobicContact CE1-CB 4.3Å; Y343-K375 WeakPolarHBondContact O-CD 3.5Å; Y343-K375 PolarHBondContact O-NZ 3.26Å; L347-K375 WeakPolarHBondContact O-CE 3.45Å; L347-K375 PolarHBondContact O-NZ 3.46Å; C349-K375 HydrophobicContact CB-CG 4.44Å; E371-K375 VanDerWaalsContact O-CB 3.31Å; E371-K375 WeakPolarHBondContact O-CB 3.36Å; E371-K375 PolarHBondContact O-N 3.06Å; S372-K375 PolarHBondContact O-N 3.08Å; K375-H378 PolarHBondContact O-N 2.61Å; K375-F379 WeakPolarHBondContact O-CB 3.19Å; K375-F379 PolarHBondContact O-N 3.4Å
376	G	98.8	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-48	178.2	0	0	0	0	0	112.1	S372 A373 H378 F379 V380	S372-G376 PolarHBondContact O-N 3.22Å; A373-G376 PolarHBondContact O-N 3.29Å; G376-H378 PolarHBondContact O-N 2.88Å; G376-F379 PolarHBondContact O-N 2.83Å; G376-F379 VanDerWaalsContact O-N 3.12Å; G376-V380 WeakPolarHBondContact O-CG2 3.29Å; G376-V380 PolarHBondContact O-N 2.85Å
377	A	98.8	Very high	97.7	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-45.4	-179.9	0	0	0	0	0	112.1	A373 L374 Q381 K416 L417 A420	A373-A377 WeakPolarHBondContact O-CB 3.38Å; A373-A377 PolarHBondContact O-N 3.19Å; L374-A377 PolarHBondContact O-N 3.15Å; A377-Q381 WeakPolarHBondContact O-CG 3.09Å; A377-Q381 PolarHBondContact O-N 3.26Å; A377-K416 HydrophobicContact CB-CB 3.97Å; A377-L417 HydrophobicContact CB-CB 4.43Å; A377-A420 HydrophobicContact CB-CB 4.37Å
378	H	98.8	Very high	97.8	Very high	83 Å²	83	40.6 Å²	40.6	38%	0.384	18%	0.182	S	C	.	.	H	α-helix	trans	-61.5	-46.8	174.7	-173.1	156.7	0	0	0	110.3	F339 K340 L374 K375 G376 V380 Q381 L382	F339-H378 HydrophobicContact CE1-CB 4.5Å; F339-H378 AromaticContact CZ-CD2 3.83Å; F339-H378 AromaticContact CZ-CG 3.93Å; F339-H378 AromaticContact CZ-NE2 3.94Å; K340-H378 PolarHBondContact NZ-CE1 3.45Å; K340-H378 PolarHBondContact NZ-ND1 3.47Å; L374-H378 WeakPolarHBondContact O-CB 3.33Å; L374-H378 PolarHBondContact O-N 2.79Å; K375-H378 PolarHBondContact O-N 2.61Å; G376-H378 PolarHBondContact O-N 2.88Å; H378-V380 PolarHBondContact O-N 2.99Å; H378-Q381 WeakPolarHBondContact O-CB 3.18Å; H378-Q381 PolarHBondContact O-N 3.48Å; H378-Q381 VanDerWaalsContact O-N 3.11Å; H378-L382 PolarHBondContact O-N 2.71Å
379	F	98.8	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-40.1	-177.6	-169.9	-108.2	0	0	0	113.2	F339 C349 G350 F351 I361 I362 K375 G376 Q381 L382 C383	F339-F379 HydrophobicContact CB-CD2 3.79Å; F339-F379 HydrophobicContact CB-CE2 3.87Å; F339-F379 HydrophobicContact CD1-CB 3.92Å; F339-F379 AromaticContact CD1-CD2 3.48Å; F339-F379 HydrophobicContact CD1-CD2 3.48Å; F339-F379 VanDerWaalsContact CD1-CD2 3.48Å; F339-F379 HydrophobicContact CD1-CE2 4.41Å; F339-F379 HydrophobicContact CD1-CG 4.06Å; F339-F379 HydrophobicContact CD2-CD2 4.48Å; F339-F379 HydrophobicContact CE1-CB 3.93Å; F339-F379 HydrophobicContact CE1-CD2 4.07Å; F339-F379 HydrophobicContact CE1-CG 4.49Å; F339-F379 AromaticContact CG-CD2 3.68Å; F339-F379 HydrophobicContact CG-CD2 3.68Å; F339-F379 HydrophobicContact CG-CE2 4.22Å; C349-F379 HydrophobicContact CB-CB 4.09Å; C349-F379 HydrophobicContact CB-CD1 3.83Å; C349-F379 HydrophobicContact CB-CD2 4.05Å; C349-F379 HydrophobicContact CB-CE1 4.27Å; C349-F379 HydrophobicContact CB-CE2 4.47Å; C349-F379 HydrophobicContact CB-CG 3.71Å; G350-F379 VanDerWaalsContact C-CZ 3.49Å; G350-F379 WeakPolarHBondContact O-CZ 3.46Å; F351-F379 HydrophobicContact CD1-CE2 4.4Å; F351-F379 HydrophobicContact CD1-CZ 4.12Å; F351-F379 HydrophobicContact CD2-CE2 4.11Å; F351-F379 HydrophobicContact CD2-CZ 4.48Å; F351-F379 AromaticContact CE1-CE2 3.91Å; F351-F379 HydrophobicContact CE1-CE2 3.91Å; F351-F379 AromaticContact CE1-CZ 3.85Å; F351-F379 HydrophobicContact CE1-CZ 3.85Å; F351-F379 AromaticContact CE2-CE2 3.6Å; F351-F379 HydrophobicContact CE2-CE2 3.6Å; F351-F379 HydrophobicContact CE2-CZ 4.25Å; F351-F379 HydrophobicContact CG-CZ 4.42Å; F351-F379 HydrophobicContact CZ-CD2 4.36Å; F351-F379 AromaticContact CZ-CE2 3.47Å; F351-F379 HydrophobicContact CZ-CE2 3.47Å; F351-F379 VanDerWaalsContact CZ-CE2 3.47Å; F351-F379 AromaticContact CZ-CZ 3.93Å; F351-F379 HydrophobicContact CZ-CZ 3.93Å; I361-F379 WeakPolarHBondContact O-CE1 3.37Å; I362-F379 HydrophobicContact CD1-CD1 3.95Å; I362-F379 HydrophobicContact CG1-CD1 3.67Å; I362-F379 HydrophobicContact CG1-CE1 4.06Å; K375-F379 WeakPolarHBondContact O-CB 3.19Å; K375-F379 PolarHBondContact O-N 3.4Å; G376-F379 PolarHBondContact O-N 2.83Å; G376-F379 VanDerWaalsContact O-N 3.12Å; F379-Q381 VanDerWaalsContact C-N 3.31Å; F379-Q381 PolarHBondContact O-N 2.8Å; F379-L382 WeakPolarHBondContact O-CB 3.45Å; F379-L382 PolarHBondContact O-N 3.03Å; F379-C383 VanDerWaalsContact CE1-SG 3.57Å; F379-C383 PolarHBondContact O-N 3.17Å; F379-C383 PolarHBondContact O-SG 3Å; F379-C383 VanDerWaalsContact O-SG 3.33Å
380	V	98.8	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-40.7	173.4	173.5	0	0	0	0	111.1	I362 G376 H378 C383 S384 I390 L417 A420 V421 A424	I362-V380 HydrophobicContact CD1-CG2 3.57Å; G376-V380 WeakPolarHBondContact O-CG2 3.29Å; G376-V380 PolarHBondContact O-N 2.85Å; H378-V380 PolarHBondContact O-N 2.99Å; V380-C383 PolarHBondContact O-N 3.35Å; V380-S384 VanDerWaalsContact O-CB 3.26Å; V380-S384 WeakPolarHBondContact O-CB 3.39Å; V380-S384 PolarHBondContact O-N 3.47Å; V380-S384 PolarHBondContact O-OG 2.99Å; V380-I390 HydrophobicContact CB-CD1 4.36Å; V380-I390 HydrophobicContact CG1-CD1 3.99Å; V380-I390 HydrophobicContact CG2-CD1 4.25Å; V380-L417 HydrophobicContact CG2-CD1 4.42Å; V380-A420 HydrophobicContact CB-CB 3.88Å; V380-A420 HydrophobicContact CG1-CB 3.78Å; V380-A420 WeakPolarHBondContact CG1-O 3.48Å; V380-V421 HydrophobicContact CG2-CG2 4.23Å; V380-A424 HydrophobicContact CG1-CB 3.8Å
381	Q	98.4	Very high	97.9	Very high	73 Å²	73	37.7 Å²	37.7	34%	0.341	17%	0.17	S	C	.	.	H	α-helix	trans	-63	-41	174.8	-69.9	178	46.2	0	0	112.2	A377 H378 F379 S384 R385 F550 F553	A377-Q381 WeakPolarHBondContact O-CG 3.09Å; A377-Q381 PolarHBondContact O-N 3.26Å; H378-Q381 WeakPolarHBondContact O-CB 3.18Å; H378-Q381 PolarHBondContact O-N 3.48Å; H378-Q381 VanDerWaalsContact O-N 3.11Å; F379-Q381 VanDerWaalsContact C-N 3.31Å; F379-Q381 PolarHBondContact O-N 2.8Å; Q381-S384 PolarHBondContact O-N 3.5Å; Q381-R385 VanDerWaalsContact O-CB 3.31Å; Q381-R385 WeakPolarHBondContact O-CB 3.37Å; Q381-R385 PolarHBondContact O-N 3.44Å; Q381-F550 HydrophobicContact CB-CE2 4.46Å; Q381-F550 HydrophobicContact CB-CZ 4.38Å; Q381-F550 HydrophobicContact CG-CE1 4.26Å; Q381-F550 HydrophobicContact CG-CE2 3.98Å; Q381-F550 HydrophobicContact CG-CZ 3.85Å; Q381-F553 HydrophobicContact CG-CZ 4.36Å
382	L	98.4	Very high	97.9	Very high	35 Å²	35	34.3 Å²	34.3	18%	0.183	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-48.5	175.7	-69.9	173.5	0	0	0	111.6	F339 H378 F379 S384 R385 R386	F339-L382 HydrophobicContact CD2-CD1 4.18Å; F339-L382 HydrophobicContact CE1-CD1 4.34Å; F339-L382 HydrophobicContact CE2-CD1 3.53Å; F339-L382 HydrophobicContact CZ-CD1 3.58Å; H378-L382 PolarHBondContact O-N 2.71Å; F379-L382 WeakPolarHBondContact O-CB 3.45Å; F379-L382 PolarHBondContact O-N 3.03Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-S384 PolarHBondContact O-N 3Å; L382-R385 PolarHBondContact O-N 3.39Å; L382-R386 WeakPolarHBondContact O-CB 3.27Å; L382-R386 VanDerWaalsContact O-CG 3.24Å; L382-R386 WeakPolarHBondContact O-CG 3.24Å; L382-R386 PolarHBondContact O-N 3.48Å; L382-R386 VanDerWaalsContact O-N 3.08Å
383	C	98.2	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-45.7	178.1	-63.9	0	0	0	0	110.8	F379 V380 R385 R386 N387 I388 I390	F379-C383 VanDerWaalsContact CE1-SG 3.57Å; F379-C383 PolarHBondContact O-N 3.17Å; F379-C383 PolarHBondContact O-SG 3Å; F379-C383 VanDerWaalsContact O-SG 3.33Å; V380-C383 PolarHBondContact O-N 3.35Å; C383-R385 PolarHBondContact O-N 2.83Å; C383-R386 CarbonylContact O-C 3.3Å; C383-R386 PolarHBondContact O-N 3.39Å; C383-N387 PolarHBondContact O-N 2.96Å; C383-I388 HydrophobicContact CB-CB 4.24Å; C383-I388 PolarHBondContact O-N 3.15Å; C383-I390 HydrophobicContact CB-CD1 3.75Å; C383-I390 HydrophobicContact CB-CG1 3.67Å
384	S	97.3	Very high	98	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.063	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-43.3	178.6	-59.3	0	0	0	0	112.5	V380 Q381 L382 R386 N387 A424	V380-S384 VanDerWaalsContact O-CB 3.26Å; V380-S384 WeakPolarHBondContact O-CB 3.39Å; V380-S384 PolarHBondContact O-N 3.47Å; V380-S384 PolarHBondContact O-OG 2.99Å; Q381-S384 PolarHBondContact O-N 3.5Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-S384 PolarHBondContact O-N 3Å; S384-R386 VanDerWaalsContact C-N 3.29Å; S384-R386 PolarHBondContact O-N 3.25Å; S384-N387 PolarHBondContact O-N 3.38Å; S384-A424 WeakPolarHBondContact OG-CB 2.99Å
385	R	96.6	Very high	97.9	Very high	201 Å²	201	32.9 Å²	32.9	76%	0.758	15%	0.146	S	C	*	.	H	α-helix	trans	-66.2	-32.6	178.4	-176.8	59.5	176.7	-176.5	3.3	112.5	Q381 L382 C383	Q381-R385 VanDerWaalsContact O-CB 3.31Å; Q381-R385 WeakPolarHBondContact O-CB 3.37Å; Q381-R385 PolarHBondContact O-N 3.44Å; L382-R385 PolarHBondContact O-N 3.39Å; C383-R385 PolarHBondContact O-N 2.83Å
386	R	95.6	Very high	97.8	Very high	143 Å²	143	32.9 Å²	32.9	54%	0.54	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.3	-179.5	-63.4	171.5	-174.8	-175.8	-0.3	113.2	F351 L382 C383 S384 I388	F351-R386 VanDerWaalsContact CZ-NH1 3.3Å; L382-R386 WeakPolarHBondContact O-CB 3.27Å; L382-R386 VanDerWaalsContact O-CG 3.24Å; L382-R386 WeakPolarHBondContact O-CG 3.24Å; L382-R386 PolarHBondContact O-N 3.48Å; L382-R386 VanDerWaalsContact O-N 3.08Å; C383-R386 CarbonylContact O-C 3.3Å; C383-R386 PolarHBondContact O-N 3.39Å; S384-R386 VanDerWaalsContact C-N 3.29Å; S384-R386 PolarHBondContact O-N 3.25Å; R386-I388 HydrophobicContact CB-CD1 3.6Å; R386-I388 HydrophobicContact CB-CG1 3.76Å; R386-I388 HydrophobicContact CG-CD1 4.37Å; R386-I388 PolarHBondContact O-N 3.36Å
387	N	93.9	Very high	97.5	Very high	82 Å²	82	36.2 Å²	36.2	44%	0.439	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	40.1	-173	-165.5	47	0	0	0	113.2	C383 S384	C383-N387 PolarHBondContact O-N 2.96Å; S384-N387 PolarHBondContact O-N 3.38Å
388	I	96.1	Very high	97.3	Very high	21 Å²	21	36.5 Å²	36.5	11%	0.108	17%	0.17	C	C	.	.			trans	-95.5	126.2	179.4	-66.5	171.4	0	0	0	108.9	F351 T358 G360 C383 R386 V426	F351-I388 HydrophobicContact CD1-CD1 4.07Å; F351-I388 HydrophobicContact CD1-CG2 4.49Å; F351-I388 HydrophobicContact CE1-CD1 3.7Å; F351-I388 HydrophobicContact CE1-CG2 4.49Å; T358-I388 HydrophobicContact CG2-CD1 4.05Å; T358-I388 HydrophobicContact CG2-CG1 4.37Å; T358-I388 HydrophobicContact CG2-CG2 4.19Å; G360-I388 VanDerWaalsContact N-CG2 3.3Å; C383-I388 HydrophobicContact CB-CB 4.24Å; C383-I388 PolarHBondContact O-N 3.15Å; R386-I388 HydrophobicContact CB-CD1 3.6Å; R386-I388 HydrophobicContact CB-CG1 3.76Å; R386-I388 HydrophobicContact CG-CD1 4.37Å; R386-I388 PolarHBondContact O-N 3.36Å; I388-V426 WeakPolarHBondContact O-CB 3.29Å; I388-V426 WeakPolarHBondContact O-CG2 3.41Å
389	P	97.6	Very high	97.2	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.065	16%	0.161	C	C	.	.			trans	-62.9	148.7	174.3	27.5	-35.8	0	0	0	111.7	I357 T358 V359 G360 P427 L537 V541	I357-P389 HydrophobicContact CG2-CG 4.37Å; T358-P389 WeakPolarHBondContact O-CD 3.47Å; V359-P389 WeakPolarHBondContact CA-O 3.29Å; V359-P389 HydrophobicContact CG1-CG 4.13Å; G360-P389 PolarHBondContact N-O 3.06Å; P389-P427 CarbonylContact C-O 3.5Å; P389-P427 VanDerWaalsContact CA-O 3.25Å; P389-P427 WeakPolarHBondContact CA-O 3.34Å; P389-P427 HydrophobicContact CB-CB 4.01Å; P389-P427 HydrophobicContact CB-CG 4.35Å; P389-L537 HydrophobicContact CB-CD1 3.91Å; P389-L537 HydrophobicContact CG-CD1 3.82Å; P389-V541 HydrophobicContact CB-CG1 4.38Å; P389-V541 HydrophobicContact CG-CG1 4.06Å
390	I	98.7	Very high	97	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.9	-174.7	-51.3	174.5	0	0	0	110.5	G360 I362 V380 C383 F392 V426 P427 K428 L429	G360-I390 CarbonylContact O-C 3.37Å; G360-I390 VanDerWaalsContact O-CA 3.26Å; G360-I390 WeakPolarHBondContact O-CA 3.32Å; I362-I390 HydrophobicContact CD1-CG2 4.1Å; I362-I390 HydrophobicContact CG1-CG2 4.23Å; V380-I390 HydrophobicContact CB-CD1 4.36Å; V380-I390 HydrophobicContact CG1-CD1 3.99Å; V380-I390 HydrophobicContact CG2-CD1 4.25Å; C383-I390 HydrophobicContact CB-CD1 3.75Å; C383-I390 HydrophobicContact CB-CG1 3.67Å; I390-F392 HydrophobicContact CB-CE2 3.86Å; I390-F392 HydrophobicContact CB-CZ 4.42Å; I390-F392 HydrophobicContact CG2-CD2 3.88Å; I390-F392 HydrophobicContact CG2-CE1 4.38Å; I390-F392 HydrophobicContact CG2-CE2 3.36Å; I390-F392 HydrophobicContact CG2-CZ 3.65Å; I390-V426 HydrophobicContact CD1-CG2 3.84Å; I390-V426 HydrophobicContact CG1-CG2 3.92Å; I390-P427 PolarHBondContact N-O 2.72Å; I390-K428 CarbonylContact O-C 3.47Å; I390-K428 WeakPolarHBondContact O-CA 3.07Å; I390-L429 PolarHBondContact O-N 3.06Å
391	L	98.9	Very high	96.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.1	170	173.9	61.4	0	0	0	110	G360 I361 I362 L393 L429 L533	G360-L391 PolarHBondContact O-N 2.95Å; I361-L391 WeakPolarHBondContact CA-O 3.36Å; I361-L391 HydrophobicContact CD1-CD2 4.48Å; I361-L391 HydrophobicContact CG1-CB 4.35Å; I361-L391 HydrophobicContact CG1-CD2 4.47Å; I362-L391 PolarHBondContact N-O 2.74Å; L391-L393 HydrophobicContact CD1-CD2 4.15Å; L391-L393 HydrophobicContact CD2-CD2 4.09Å; L391-L393 HydrophobicContact CG-CD2 3.99Å; L391-L393 HydrophobicContact CG-CG 4.39Å; L391-L429 CarbonylContact C-O 3.59Å; L391-L429 WeakPolarHBondContact CA-O 3.47Å; L391-L429 HydrophobicContact CD1-CB 3.99Å; L391-L533 HydrophobicContact CD1-CD1 4.01Å; L391-L533 HydrophobicContact CD1-CD2 3.75Å; L391-L533 HydrophobicContact CD2-CD1 3.91Å
392	F	98.9	Very high	96.6	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.4	174	-64.8	-97.9	0	0	0	110.1	I362 I390 V421 K428 L429 T430 L431 M444 C445	I362-F392 HydrophobicContact CB-CD1 4.13Å; I362-F392 HydrophobicContact CB-CE1 4.36Å; I362-F392 HydrophobicContact CD1-CD1 4.37Å; I362-F392 HydrophobicContact CD1-CE1 3.74Å; I362-F392 HydrophobicContact CD1-CZ 4.15Å; I362-F392 HydrophobicContact CG2-CD1 4.47Å; I362-F392 CarbonylContact O-C 3.38Å; I362-F392 WeakPolarHBondContact O-CA 3.42Å; I390-F392 HydrophobicContact CB-CE2 3.86Å; I390-F392 HydrophobicContact CB-CZ 4.42Å; I390-F392 HydrophobicContact CG2-CD2 3.88Å; I390-F392 HydrophobicContact CG2-CE1 4.38Å; I390-F392 HydrophobicContact CG2-CE2 3.36Å; I390-F392 HydrophobicContact CG2-CZ 3.65Å; F392-V421 HydrophobicContact CE1-CG2 3.95Å; F392-V421 HydrophobicContact CZ-CG1 4.44Å; F392-V421 HydrophobicContact CZ-CG2 3.95Å; F392-K428 HydrophobicContact CE2-CB 4.23Å; F392-K428 HydrophobicContact CE2-CD 4.34Å; F392-K428 HydrophobicContact CE2-CG 4.13Å; F392-L429 PolarHBondContact N-O 2.77Å; F392-T430 HydrophobicContact CB-CG2 4.36Å; F392-T430 WeakPolarHBondContact O-CA 3.44Å; F392-L431 PolarHBondContact O-N 2.83Å; F392-M444 VanDerWaalsContact CB-O 3.29Å; F392-M444 WeakPolarHBondContact CB-O 3.47Å; F392-M444 HydrophobicContact CD1-CE 4.18Å; F392-M444 WeakPolarHBondContact CD1-O 3.33Å; F392-M444 WeakPolarHBondContact CG-O 3.22Å; F392-C445 HydrophobicContact CB-CB 4.44Å; F392-C445 HydrophobicContact CD1-CB 3.9Å; F392-C445 HydrophobicContact CD2-CB 3.5Å; F392-C445 VanDerWaalsContact CD2-CB 3.5Å; F392-C445 HydrophobicContact CE1-CB 3.94Å; F392-C445 HydrophobicContact CE2-CB 3.55Å; F392-C445 HydrophobicContact CG-CB 3.69Å; F392-C445 HydrophobicContact CZ-CB 3.78Å
393	L	98.8	Very high	96.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	99.8	174.5	-57.9	-179.2	0	0	0	109.1	I323 V326 I327 I361 I362 G363 N364 L391 N395 L431	I323-L393 HydrophobicContact CD1-CB 4.04Å; I323-L393 HydrophobicContact CD1-CD1 4.31Å; I323-L393 HydrophobicContact CG1-CB 4.16Å; I323-L393 HydrophobicContact CG1-CD1 4.13Å; V326-L393 HydrophobicContact CG1-CD1 4.34Å; I327-L393 HydrophobicContact CD1-CD1 4.42Å; I327-L393 HydrophobicContact CG1-CD1 3.65Å; I361-L393 HydrophobicContact CG2-CD1 4.04Å; I361-L393 HydrophobicContact CG2-CG 4.26Å; I362-L393 PolarHBondContact O-N 3.23Å; G363-L393 WeakPolarHBondContact CA-O 3.23Å; N364-L393 PolarHBondContact N-O 2.88Å; N364-L393 PolarHBondContact OD1-O 2.98Å; L391-L393 HydrophobicContact CD1-CD2 4.15Å; L391-L393 HydrophobicContact CD2-CD2 4.09Å; L391-L393 HydrophobicContact CG-CD2 3.99Å; L391-L393 HydrophobicContact CG-CG 4.39Å; L393-N395 PolarHBondContact O-N 3.5Å; L393-L431 WeakPolarHBondContact CA-O 3.46Å; L393-L431 HydrophobicContact CD2-CB 3.97Å; L393-L431 HydrophobicContact CD2-CD2 4.16Å
394	Q	98.6	Very high	96.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118.2	-173.9	-52.6	-161.5	135.9	0	0	111.6	N364 T430 L431 I432 V433 G434 S436 N441 M444	N364-Q394 WeakPolarHBondContact OD1-CA 3.22Å; Q394-T430 HydrophobicContact CG-CG2 3.84Å; Q394-L431 PolarHBondContact N-O 2.84Å; Q394-I432 HydrophobicContact CB-CB 4.49Å; Q394-I432 HydrophobicContact CB-CG1 4.42Å; Q394-I432 HydrophobicContact CB-CG2 4.21Å; Q394-V433 WeakPolarHBondContact O-CG2 3.38Å; Q394-V433 PolarHBondContact O-N 3.38Å; Q394-G434 PolarHBondContact O-N 2.85Å; Q394-S436 PolarHBondContact NE2-OG 3.39Å; Q394-N441 PolarHBondContact OE1-O 3.07Å; Q394-M444 HydrophobicContact CG-CB 3.8Å; Q394-M444 VanDerWaalsContact OE1-CB 3.24Å; Q394-M444 PolarHBondContact OE1-O 3.01Å
395	N	97.8	Very high	96.1	Very high	21 Å²	21	59 Å²	59	11%	0.112	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	61.3	165.1	-174.1	28.2	0	0	0	109.4	F321 N364 L393 V433 G435	F321-N395 WeakPolarHBondContact CE1-ND2 3.37Å; F321-N395 HydrophobicContact CZ-CB 4.41Å; F321-N395 WeakPolarHBondContact CZ-ND2 3.24Å; N364-N395 HydrophobicContact CB-CB 4.26Å; N364-N395 WeakPolarHBondContact CB-O 3.29Å; N364-N395 PolarHBondContact OD1-N 3.33Å; N364-N395 VanDerWaalsContact OD1-N 3.15Å; L393-N395 PolarHBondContact O-N 3.5Å; N395-V433 HydrophobicContact CB-CG2 4.11Å; N395-G435 CarbonylContact C-O 3.55Å; N395-G435 WeakPolarHBondContact CA-O 3.36Å; N395-G435 PolarHBondContact OD1-N 3.2Å; N395-G435 VanDerWaalsContact OD1-N 3.16Å
396	V	96.3	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.4	-167	62.3	0	0	0	0	111.4	N364 I368 G435 Y437 M444	N364-V396 HydrophobicContact CB-CB 4.36Å; I368-V396 HydrophobicContact CD1-CG2 3.85Å; I368-V396 HydrophobicContact CG1-CG2 4.01Å; V396-G435 PolarHBondContact N-O 2.83Å; V396-G435 CarbonylContact O-C 3.56Å; V396-Y437 WeakPolarHBondContact O-CD2 3.35Å; V396-Y437 PolarHBondContact O-N 3.31Å; V396-Y437 VanDerWaalsContact O-N 3.12Å; V396-M444 HydrophobicContact CG1-CG 4.36Å
397	T	92.6	Very high	96.1	Very high	70 Å²	70	51.9 Å²	51.9	43%	0.429	28%	0.28	S	S	.	.			trans	-92.4	-14.8	174.6	53.7	0	0	0	0	113.3	I367	I367-T397 WeakPolarHBondContact CG1-OG1 3.4Å
398	G	94	Very high	96.1	Very high	10 Å²	10	53.2 Å²	53.2	10%	0.103	28%	0.284	C	S	.	.			trans	142.2	-160.5	177	0	0	0	0	0	112.4	I368	I368-G398 PolarHBondContact N-O 3.1Å
399	F	96.5	Very high	96.2	Very high	43 Å²	43	52.9 Å²	52.9	19%	0.189	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-95.1	157.8	169.7	-77.4	-103.5	0	0	0	110.1	I368 A373 I410 A439 A443	I368-F399 HydrophobicContact CB-CD1 3.84Å; I368-F399 HydrophobicContact CB-CD2 4.44Å; I368-F399 HydrophobicContact CB-CE1 3.9Å; I368-F399 HydrophobicContact CB-CE2 4.48Å; I368-F399 HydrophobicContact CB-CG 4.13Å; I368-F399 HydrophobicContact CB-CZ 4.22Å; I368-F399 HydrophobicContact CD1-CE2 4.06Å; I368-F399 HydrophobicContact CD1-CZ 4.06Å; I368-F399 HydrophobicContact CG2-CD1 3.69Å; I368-F399 HydrophobicContact CG2-CE1 3.34Å; I368-F399 HydrophobicContact CG2-CG 4.45Å; I368-F399 HydrophobicContact CG2-CZ 3.85Å; I368-F399 WeakPolarHBondContact O-CA 3.2Å; A373-F399 HydrophobicContact CB-CE1 4.25Å; F399-I410 HydrophobicContact CB-CD1 4.29Å; F399-I410 HydrophobicContact CD1-CD1 4.32Å; F399-I410 HydrophobicContact CD1-CG1 4.02Å; F399-A439 HydrophobicContact CD2-CB 3.8Å; F399-A439 HydrophobicContact CE2-CB 3.94Å; F399-A443 HydrophobicContact CE2-CB 3.91Å; F399-A443 HydrophobicContact CZ-CB 3.79Å
400	M	95.8	Very high	96.2	Very high	68 Å²	68	52.7 Å²	52.7	34%	0.335	28%	0.283	S	S	.	.			trans	-62.2	143.6	172	-172.2	61.5	-176.2	0	0	109.6	I367 I368 F369 V405 I410	I367-M400 HydrophobicContact CG2-CB 3.96Å; I368-M400 PolarHBondContact O-N 3.05Å; F369-M400 HydrophobicContact CD1-CB 3.81Å; F369-M400 HydrophobicContact CD1-CG 4.02Å; F369-M400 HydrophobicContact CE1-CB 3.74Å; F369-M400 HydrophobicContact CE1-CG 3.53Å; F369-M400 HydrophobicContact CE1-SD 3.98Å; F369-M400 HydrophobicContact CG-CB 4.45Å; F369-M400 HydrophobicContact CZ-CB 4.31Å; F369-M400 HydrophobicContact CZ-CG 4.2Å; F369-M400 HydrophobicContact CZ-SD 4.1Å; M400-V405 HydrophobicContact CB-CG1 4.48Å; M400-V405 HydrophobicContact CG-CG1 3.95Å; M400-V405 HydrophobicContact CG-CG2 4.21Å; M400-I410 HydrophobicContact CB-CD1 3.85Å; M400-I410 VanDerWaalsContact O-CD1 3.28Å; M400-I410 WeakPolarHBondContact O-CD1 3.34Å
401	V	93.5	Very high	96.1	Very high	114 Å²	114	55.8 Å²	55.8	69%	0.691	31%	0.309	S	S	*	.			trans	-121.8	144.7	178.2	-62.7	0	0	0	0	109.8
402	G	94.1	Very high	96.1	Very high	39 Å²	39	59 Å²	59	40%	0.402	32%	0.323	S	S	.	.	S	Bend	trans	151.4	154.8	179.6	0	0	0	0	0	112	E404 V405 E406	G402-E404 VanDerWaalsContact C-N 3.27Å; G402-E404 PolarHBondContact O-N 2.99Å; G402-V405 WeakPolarHBondContact O-CG2 3.42Å; G402-V405 PolarHBondContact O-N 2.63Å; G402-E406 VanDerWaalsContact O-CG 3.27Å; G402-E406 WeakPolarHBondContact O-CG 3.43Å; G402-E406 PolarHBondContact O-N 3.2Å; G402-E406 VanDerWaalsContact O-N 3.08Å
403	R	95.1	Very high	96.1	Very high	231 Å²	231	60.1 Å²	60.1	87%	0.872	33%	0.328	S	S	*	.	H	α-helix	trans	-57.5	-40.7	-177.5	-178.3	-179.2	176.5	-174.8	-1	112.7	A407	R403-A407 WeakPolarHBondContact O-CB 3.21Å; R403-A407 PolarHBondContact O-N 3.25Å
404	E	94.9	Very high	96	Very high	157 Å²	157	60.4 Å²	60.4	73%	0.734	33%	0.331	S	S	*	.	H	α-helix	trans	-66	-51.8	-177.7	-66.7	174.3	179.2	0	0	111.2	G402 E406 A407 E408	G402-E404 VanDerWaalsContact C-N 3.27Å; G402-E404 PolarHBondContact O-N 2.99Å; E404-E406 VanDerWaalsContact C-N 3.29Å; E404-E406 PolarHBondContact O-N 3.31Å; E404-A407 WeakPolarHBondContact O-CB 3.44Å; E404-A407 PolarHBondContact O-N 2.9Å; E404-A407 VanDerWaalsContact O-N 3.09Å; E404-E408 WeakPolarHBondContact O-CG 3.31Å; E404-E408 PolarHBondContact O-N 2.84Å
405	V	94.1	Very high	96	Very high	20 Å²	20	62.6 Å²	62.6	12%	0.121	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-31.4	179.2	-62.3	0	0	0	0	113	M400 G402 G409 I410	M400-V405 HydrophobicContact CB-CG1 4.48Å; M400-V405 HydrophobicContact CG-CG1 3.95Å; M400-V405 HydrophobicContact CG-CG2 4.21Å; G402-V405 WeakPolarHBondContact O-CG2 3.42Å; G402-V405 PolarHBondContact O-N 2.63Å; V405-G409 PolarHBondContact O-N 2.89Å; V405-I410 HydrophobicContact CB-CB 4.36Å; V405-I410 HydrophobicContact CB-CD1 4.17Å; V405-I410 HydrophobicContact CB-CG2 4.42Å; V405-I410 HydrophobicContact CG2-CD1 4.32Å; V405-I410 HydrophobicContact CG2-CG2 4.37Å; V405-I410 VanDerWaalsContact O-CB 3.31Å; V405-I410 WeakPolarHBondContact O-CB 3.4Å; V405-I410 WeakPolarHBondContact O-CG2 3.26Å; V405-I410 PolarHBondContact O-N 2.85Å
406	E	96.5	Very high	96.1	Very high	106 Å²	106	62.1 Å²	62.1	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-44.4	171.9	-70.4	-66.1	172.6	0	0	111.4	G402 E404 E408 G409	G402-E406 VanDerWaalsContact O-CG 3.27Å; G402-E406 WeakPolarHBondContact O-CG 3.43Å; G402-E406 PolarHBondContact O-N 3.2Å; G402-E406 VanDerWaalsContact O-N 3.08Å; E404-E406 VanDerWaalsContact C-N 3.29Å; E404-E406 PolarHBondContact O-N 3.31Å; E406-E408 VanDerWaalsContact C-N 3.33Å; E406-E408 PolarHBondContact O-N 3.16Å; E406-G409 WeakPolarHBondContact O-CA 3.03Å; E406-G409 PolarHBondContact O-N 2.84Å
407	A	95.7	Very high	96.2	Very high	90 Å²	90	62.1 Å²	62.1	74%	0.744	35%	0.346	S	S	*	.	H	α-helix	trans	-65.7	-33.9	176.5	0	0	0	0	0	112.7	R403 E404 G409	R403-A407 WeakPolarHBondContact O-CB 3.21Å; R403-A407 PolarHBondContact O-N 3.25Å; E404-A407 WeakPolarHBondContact O-CB 3.44Å; E404-A407 PolarHBondContact O-N 2.9Å; E404-A407 VanDerWaalsContact O-N 3.09Å; A407-G409 PolarHBondContact O-N 2.87Å
408	E	94.3	Very high	96.5	Very high	110 Å²	110	60.4 Å²	60.4	51%	0.514	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-16	171.4	-70.9	172.8	177.2	0	0	112.9	E404 E406 H413	E404-E408 WeakPolarHBondContact O-CG 3.31Å; E404-E408 PolarHBondContact O-N 2.84Å; E406-E408 VanDerWaalsContact C-N 3.33Å; E406-E408 PolarHBondContact O-N 3.16Å; E408-H413 PolarHBondContact O-NE2 3.01Å
409	G	96.8	Very high	96.7	Very high	13 Å²	13	62.7 Å²	62.7	13%	0.134	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	34.5	175.1	0	0	0	0	0	114	V405 E406 A407 A411 K412 H413	V405-G409 PolarHBondContact O-N 2.89Å; E406-G409 WeakPolarHBondContact O-CA 3.03Å; E406-G409 PolarHBondContact O-N 2.84Å; A407-G409 PolarHBondContact O-N 2.87Å; G409-A411 PolarHBondContact O-N 3.47Å; G409-K412 WeakPolarHBondContact O-CG 3.21Å; G409-K412 PolarHBondContact O-N 2.85Å; G409-H413 VanDerWaalsContact C-CD2 3.49Å; G409-H413 PolarHBondContact O-CD2 3.06Å; G409-H413 PolarHBondContact O-N 3.1Å
410	I	97.8	Very high	96.8	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-49.2	-36.7	175.7	-167.6	156.7	0	0	0	112.7	S370 F399 M400 V405 H413 G414	S370-I410 WeakPolarHBondContact OG-CA 3.34Å; F399-I410 HydrophobicContact CB-CD1 4.29Å; F399-I410 HydrophobicContact CD1-CD1 4.32Å; F399-I410 HydrophobicContact CD1-CG1 4.02Å; M400-I410 HydrophobicContact CB-CD1 3.85Å; M400-I410 VanDerWaalsContact O-CD1 3.28Å; M400-I410 WeakPolarHBondContact O-CD1 3.34Å; V405-I410 HydrophobicContact CB-CB 4.36Å; V405-I410 HydrophobicContact CB-CD1 4.17Å; V405-I410 HydrophobicContact CB-CG2 4.42Å; V405-I410 HydrophobicContact CG2-CD1 4.32Å; V405-I410 HydrophobicContact CG2-CG2 4.37Å; V405-I410 VanDerWaalsContact O-CB 3.31Å; V405-I410 WeakPolarHBondContact O-CB 3.4Å; V405-I410 WeakPolarHBondContact O-CG2 3.26Å; V405-I410 PolarHBondContact O-N 2.85Å; I410-H413 PolarHBondContact O-N 3.3Å; I410-G414 PolarHBondContact O-N 3.25Å
411	A	97.7	Very high	96.9	Very high	67 Å²	67	57.4 Å²	57.4	55%	0.554	32%	0.319	S	S	*	.	H	α-helix	trans	-59.7	-48.5	174.1	0	0	0	0	0	112.9	G409 H413 A415	G409-A411 PolarHBondContact O-N 3.47Å; A411-H413 VanDerWaalsContact C-N 3.33Å; A411-H413 PolarHBondContact O-N 3.07Å; A411-A415 VanDerWaalsContact O-CB 3.3Å; A411-A415 WeakPolarHBondContact O-CB 3.32Å; A411-A415 PolarHBondContact O-N 2.92Å
412	K	98.2	Very high	97.1	Very high	71 Å²	71	54.6 Å²	54.6	31%	0.309	31%	0.305	S	S	.	.	H	α-helix	trans	-71.9	-27.6	178.4	65.8	165.7	-172.3	167.6	0	112.4	G409 K416 R554 M555	G409-K412 WeakPolarHBondContact O-CG 3.21Å; G409-K412 PolarHBondContact O-N 2.85Å; K412-K416 WeakPolarHBondContact O-CG 3.33Å; K412-K416 PolarHBondContact O-N 3.14Å; K412-K416 PolarHBondContact O-NZ 2.8Å; K412-R554 HydrophobicContact CB-CG 4.04Å; K412-M555 WeakPolarHBondContact CD-O 3.46Å; K412-M555 PolarHBondContact NZ-O 3.04Å; K412-M555 PolarHBondContact NZ-OXT 2.97Å
413	H	98.3	Very high	97.3	Very high	25 Å²	25	53.9 Å²	53.9	12%	0.116	29%	0.294	C	S	.	.	H	α-helix	trans	-73.2	-46.2	174.9	-66.7	-57.9	0	0	0	111.5	S370 A373 L374 E408 G409 I410 A411 A415 K416 L417	S370-H413 PolarHBondContact OG-CD2 2.74Å; A373-H413 HydrophobicContact CB-CB 4.3Å; A373-H413 WeakPolarHBondContact CB-O 3.45Å; L374-H413 WeakPolarHBondContact CD2-ND1 3.35Å; L374-H413 HydrophobicContact CG-CB 4.4Å; L374-H413 WeakPolarHBondContact CG-ND1 3.2Å; E408-H413 PolarHBondContact O-NE2 3.01Å; G409-H413 VanDerWaalsContact C-CD2 3.49Å; G409-H413 PolarHBondContact O-CD2 3.06Å; G409-H413 PolarHBondContact O-N 3.1Å; I410-H413 PolarHBondContact O-N 3.3Å; A411-H413 VanDerWaalsContact C-N 3.33Å; A411-H413 PolarHBondContact O-N 3.07Å; H413-A415 VanDerWaalsContact C-N 3.32Å; H413-A415 PolarHBondContact O-N 2.86Å; H413-K416 WeakPolarHBondContact O-CB 3.38Å; H413-K416 PolarHBondContact O-N 3.49Å; H413-K416 VanDerWaalsContact O-N 3.16Å; H413-L417 PolarHBondContact O-N 2.87Å
414	G	98	Very high	97.5	Very high	7 Å²	7	43 Å²	43	7%	0.072	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-42.3	171	0	0	0	0	0	112.5	I410 K416 L417 V418	I410-G414 PolarHBondContact O-N 3.25Å; G414-K416 VanDerWaalsContact C-N 3.26Å; G414-K416 PolarHBondContact O-N 2.88Å; G414-L417 PolarHBondContact O-N 3.29Å; G414-L417 VanDerWaalsContact O-N 3.07Å; G414-V418 PolarHBondContact O-N 2.75Å
415	A	98.5	Very high	97.6	Very high	46 Å²	46	39.9 Å²	39.9	38%	0.38	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-33	176.6	0	0	0	0	0	113.4	A411 H413 M419	A411-A415 VanDerWaalsContact O-CB 3.3Å; A411-A415 WeakPolarHBondContact O-CB 3.32Å; A411-A415 PolarHBondContact O-N 2.92Å; H413-A415 VanDerWaalsContact C-N 3.32Å; H413-A415 PolarHBondContact O-N 2.86Å; A415-M419 VanDerWaalsContact O-CB 3.23Å; A415-M419 WeakPolarHBondContact O-CB 3.31Å; A415-M419 PolarHBondContact O-N 3.11Å
416	K	98.8	Very high	97.7	Very high	12 Å²	12	39 Å²	39	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-42.2	174.3	-67.3	171.9	-179.4	76.1	0	111.4	L374 A377 K412 H413 G414 M419 A420 F553 R554 M555	L374-K416 HydrophobicContact CD2-CD 3.57Å; A377-K416 HydrophobicContact CB-CB 3.97Å; K412-K416 WeakPolarHBondContact O-CG 3.33Å; K412-K416 PolarHBondContact O-N 3.14Å; K412-K416 PolarHBondContact O-NZ 2.8Å; H413-K416 WeakPolarHBondContact O-CB 3.38Å; H413-K416 PolarHBondContact O-N 3.49Å; H413-K416 VanDerWaalsContact O-N 3.16Å; G414-K416 VanDerWaalsContact C-N 3.26Å; G414-K416 PolarHBondContact O-N 2.88Å; K416-M419 PolarHBondContact O-N 2.7Å; K416-A420 WeakPolarHBondContact O-CB 3.42Å; K416-A420 PolarHBondContact O-N 3.14Å; K416-F553 HydrophobicContact CB-CD1 3.94Å; K416-F553 HydrophobicContact CB-CE1 4.37Å; K416-F553 HydrophobicContact CG-CD1 4.01Å; K416-F553 WeakPolarHBondContact O-CE1 3.38Å; K416-R554 WeakPolarHBondContact CE-O 3.21Å; K416-R554 PolarHBondContact NZ-O 2.86Å; K416-M555 WeakPolarHBondContact CE-OXT 3.45Å; K416-M555 VanDerWaalsContact NZ-C 3.33Å; K416-M555 PolarHBondContact NZ-OXT 2.77Å
417	L	98.6	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-48.4	177	175.8	52.2	0	0	0	110.7	A373 A377 V380 H413 G414 M419 A420 V421 A443	A373-L417 HydrophobicContact CB-CB 4.35Å; A377-L417 HydrophobicContact CB-CB 4.43Å; V380-L417 HydrophobicContact CG2-CD1 4.42Å; H413-L417 PolarHBondContact O-N 2.87Å; G414-L417 PolarHBondContact O-N 3.29Å; G414-L417 VanDerWaalsContact O-N 3.07Å; L417-M419 VanDerWaalsContact C-N 3.33Å; L417-M419 PolarHBondContact O-N 3.11Å; L417-A420 PolarHBondContact O-N 2.82Å; L417-A420 VanDerWaalsContact O-N 3.14Å; L417-V421 HydrophobicContact CD1-CG2 3.92Å; L417-V421 WeakPolarHBondContact O-CG2 3.46Å; L417-V421 PolarHBondContact O-N 3.13Å; L417-A443 HydrophobicContact CD2-CB 3.78Å; L417-A443 HydrophobicContact CG-CB 4.14Å
418	V	98.5	Very high	97.9	Very high	33 Å²	33	31 Å²	31	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-41.9	177.7	177.1	0	0	0	0	111.6	G414 A420 V421 S422 A443 Y449	G414-V418 PolarHBondContact O-N 2.75Å; V418-A420 PolarHBondContact O-N 3.29Å; V418-V421 PolarHBondContact O-N 3.26Å; V418-S422 WeakPolarHBondContact O-CB 3.26Å; V418-S422 PolarHBondContact O-N 2.91Å; V418-S422 PolarHBondContact O-OG 2.82Å; V418-A443 HydrophobicContact CG2-CB 4.37Å; V418-Y449 HydrophobicContact CG1-CE1 3.64Å; V418-Y449 VanDerWaalsContact CG1-OH 3.31Å; V418-Y449 WeakPolarHBondContact CG1-OH 3.33Å
419	M	98.6	Very high	98.1	Very high	58 Å²	58	26 Å²	26	29%	0.286	16%	0.156	S	C	.	.	H	α-helix	trans	-58.7	-47	174.1	179.6	61.2	67	0	0	111.4	A415 K416 L417 S422 C423 V552 F553	A415-M419 VanDerWaalsContact O-CB 3.23Å; A415-M419 WeakPolarHBondContact O-CB 3.31Å; A415-M419 PolarHBondContact O-N 3.11Å; K416-M419 PolarHBondContact O-N 2.7Å; L417-M419 VanDerWaalsContact C-N 3.33Å; L417-M419 PolarHBondContact O-N 3.11Å; M419-S422 PolarHBondContact O-N 2.8Å; M419-C423 WeakPolarHBondContact O-CB 3.27Å; M419-C423 PolarHBondContact O-N 3.44Å; M419-C423 VanDerWaalsContact O-N 3.12Å; M419-C423 PolarHBondContact O-SG 2.84Å; M419-V552 WeakPolarHBondContact CE-O 3.45Å; M419-F553 HydrophobicContact CB-CD1 4.13Å; M419-F553 HydrophobicContact CB-CE1 3.92Å; M419-F553 HydrophobicContact CG-CD1 3.95Å; M419-F553 HydrophobicContact CG-CE1 3.78Å; M419-F553 HydrophobicContact CG-CE2 4.49Å; M419-F553 HydrophobicContact CG-CG 4.39Å; M419-F553 HydrophobicContact CG-CZ 4.07Å
420	A	98.7	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-46.4	178.9	0	0	0	0	0	111.7	A377 V380 K416 L417 V418 S422 C423 A424 F550 F553	A377-A420 HydrophobicContact CB-CB 4.37Å; V380-A420 HydrophobicContact CB-CB 3.88Å; V380-A420 HydrophobicContact CG1-CB 3.78Å; V380-A420 WeakPolarHBondContact CG1-O 3.48Å; K416-A420 WeakPolarHBondContact O-CB 3.42Å; K416-A420 PolarHBondContact O-N 3.14Å; L417-A420 PolarHBondContact O-N 2.82Å; L417-A420 VanDerWaalsContact O-N 3.14Å; V418-A420 PolarHBondContact O-N 3.29Å; A420-S422 PolarHBondContact O-N 3.05Å; A420-C423 PolarHBondContact O-N 2.92Å; A420-A424 WeakPolarHBondContact O-CB 3.5Å; A420-A424 PolarHBondContact O-N 2.89Å; A420-F550 HydrophobicContact CB-CE1 4.26Å; A420-F553 HydrophobicContact CB-CE1 4.17Å; A420-F553 HydrophobicContact CB-CZ 4.22Å
421	V	98.6	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-39.9	179.3	172.1	0	0	0	0	112	V380 F392 L417 V418 K428 C445 Y449	V380-V421 HydrophobicContact CG2-CG2 4.23Å; F392-V421 HydrophobicContact CE1-CG2 3.95Å; F392-V421 HydrophobicContact CZ-CG1 4.44Å; F392-V421 HydrophobicContact CZ-CG2 3.95Å; L417-V421 HydrophobicContact CD1-CG2 3.92Å; L417-V421 WeakPolarHBondContact O-CG2 3.46Å; L417-V421 PolarHBondContact O-N 3.13Å; V418-V421 PolarHBondContact O-N 3.26Å; V421-K428 PolarHBondContact O-NZ 2.82Å; V421-C445 HydrophobicContact CG1-CB 3.71Å; V421-Y449 HydrophobicContact CG1-CD1 3.97Å; V421-Y449 HydrophobicContact CG1-CG 4.12Å
422	S	98.2	Very high	98.3	Very high	55 Å²	55	22 Å²	22	39%	0.385	12%	0.123	S	C	.	.	H	α-helix	trans	-66.1	-41	-180	-55.4	0	0	0	0	112.3	V418 M419 A420 Y449	V418-S422 WeakPolarHBondContact O-CB 3.26Å; V418-S422 PolarHBondContact O-N 2.91Å; V418-S422 PolarHBondContact O-OG 2.82Å; M419-S422 PolarHBondContact O-N 2.8Å; A420-S422 PolarHBondContact O-N 3.05Å; S422-Y449 WeakPolarHBondContact OG-CD1 3.28Å; S422-Y449 VanDerWaalsContact OG-CE1 3.24Å; S422-Y449 WeakPolarHBondContact OG-CE1 3.38Å
423	C	98.2	Very high	98.3	Very high	25 Å²	25	18.6 Å²	18.6	17%	0.169	11%	0.108	C	C	.	.	H	α-helix	trans	-89.8	-16.6	-174.7	-65.3	0	0	0	0	114.2	M419 A420 K425 F550 G551	M419-C423 WeakPolarHBondContact O-CB 3.27Å; M419-C423 PolarHBondContact O-N 3.44Å; M419-C423 VanDerWaalsContact O-N 3.12Å; M419-C423 PolarHBondContact O-SG 2.84Å; A420-C423 PolarHBondContact O-N 2.92Å; C423-K425 PolarHBondContact O-N 3.38Å; C423-F550 HydrophobicContact CB-CB 4.39Å; C423-F550 HydrophobicContact CB-CD1 3.56Å; C423-F550 HydrophobicContact CB-CE1 4.15Å; C423-F550 HydrophobicContact CB-CG 4.26Å; C423-G551 PolarHBondContact SG-N 3.47Å
424	A	97.9	Very high	98.2	Very high	3 Å²	3	17.4 Å²	17.4	3%	0.025	10%	0.103	C	C	.	.			trans	-62.9	122.6	177.6	0	0	0	0	0	111	V380 S384 A420 V426 K428	V380-A424 HydrophobicContact CG1-CB 3.8Å; S384-A424 WeakPolarHBondContact OG-CB 2.99Å; A420-A424 WeakPolarHBondContact O-CB 3.5Å; A420-A424 PolarHBondContact O-N 2.89Å; A424-V426 HydrophobicContact CB-CG2 4.36Å; A424-K428 HydrophobicContact CB-CD 4.42Å
425	K	96.7	Very high	98.1	Very high	90 Å²	90	17.1 Å²	17.1	39%	0.391	10%	0.1	S	C	.	.			trans	-101.5	-5.9	179.5	-63.2	-57.4	-173.2	-177.3	0	114.3	C423 Q546 S548	C423-K425 PolarHBondContact O-N 3.38Å; K425-Q546 HydrophobicContact CB-CB 3.69Å; K425-Q546 HydrophobicContact CG-CB 4.33Å; K425-S548 PolarHBondContact N-OG 2.87Å
426	V	96.8	Very high	98.1	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.018	8%	0.081	C	C	.	.	S	Bend	trans	-60	151.8	166.9	-66.8	0	0	0	0	110.1	I388 I390 A424 K428	I388-V426 WeakPolarHBondContact O-CB 3.29Å; I388-V426 WeakPolarHBondContact O-CG2 3.41Å; I390-V426 HydrophobicContact CD1-CG2 3.84Å; I390-V426 HydrophobicContact CG1-CG2 3.92Å; A424-V426 HydrophobicContact CB-CG2 4.36Å; V426-K428 PolarHBondContact O-N 3.21Å
427	P	97.3	Very high	98	Very high	12 Å²	12	15.8 Å²	15.8	8%	0.078	9%	0.085	C	C	.	.			trans	-56.7	129.8	175.7	-25.1	34.3	0	0	0	111.6	P389 I390 R452 A540	P389-P427 CarbonylContact C-O 3.5Å; P389-P427 VanDerWaalsContact CA-O 3.25Å; P389-P427 WeakPolarHBondContact CA-O 3.34Å; P389-P427 HydrophobicContact CB-CB 4.01Å; P389-P427 HydrophobicContact CB-CG 4.35Å; I390-P427 PolarHBondContact N-O 2.72Å; P427-R452 HydrophobicContact CB-CG 4.32Å; P427-A540 HydrophobicContact CB-CB 3.85Å; P427-A540 HydrophobicContact CG-CB 4.44Å; P427-A540 WeakPolarHBondContact CG-O 3.45Å
428	K	98.5	Very high	97.9	Very high	14 Å²	14	16.6 Å²	16.6	6%	0.061	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.4	177	-63.5	173.5	-63.1	-177.7	0	109.1	I390 F392 V421 A424 V426 Y449 P451 R452	I390-K428 CarbonylContact O-C 3.47Å; I390-K428 WeakPolarHBondContact O-CA 3.07Å; F392-K428 HydrophobicContact CE2-CB 4.23Å; F392-K428 HydrophobicContact CE2-CD 4.34Å; F392-K428 HydrophobicContact CE2-CG 4.13Å; V421-K428 PolarHBondContact O-NZ 2.82Å; A424-K428 HydrophobicContact CB-CD 4.42Å; V426-K428 PolarHBondContact O-N 3.21Å; K428-Y449 WeakPolarHBondContact CE-O 3.48Å; K428-Y449 PolarHBondContact NZ-O 3.42Å; K428-P451 CarbonylContact O-C 3.56Å; K428-P451 WeakPolarHBondContact O-CA 3.29Å; K428-R452 PolarHBondContact O-N 2.91Å
429	L	98.8	Very high	97.8	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.4	172.4	-56	-178.5	0	0	0	108.4	I390 L391 F392 R452 F453 L533 A536 L537	I390-L429 PolarHBondContact O-N 3.06Å; L391-L429 CarbonylContact C-O 3.59Å; L391-L429 WeakPolarHBondContact CA-O 3.47Å; L391-L429 HydrophobicContact CD1-CB 3.99Å; F392-L429 PolarHBondContact N-O 2.77Å; L429-R452 HydrophobicContact CD2-CB 4.31Å; L429-F453 HydrophobicContact CD2-CB 4.1Å; L429-F453 HydrophobicContact CD2-CD2 3.74Å; L429-F453 HydrophobicContact CD2-CG 4.41Å; L429-L533 HydrophobicContact CB-CD2 4.44Å; L429-L533 HydrophobicContact CD1-CD2 4.4Å; L429-A536 HydrophobicContact CD1-CB 4.37Å; L429-A536 HydrophobicContact CD2-CB 4.11Å; L429-L537 HydrophobicContact CD1-CB 4.04Å; L429-L537 HydrophobicContact CD1-CD1 4.14Å
430	T	98.9	Very high	97.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.2	177.4	-61.4	0	0	0	0	110.4	F392 Q394 C445 F453 L454 F455	F392-T430 HydrophobicContact CB-CG2 4.36Å; F392-T430 WeakPolarHBondContact O-CA 3.44Å; Q394-T430 HydrophobicContact CG-CG2 3.84Å; T430-C445 PolarHBondContact OG1-O 2.99Å; T430-F453 PolarHBondContact N-O 3.36Å; T430-L454 HydrophobicContact CG2-CD1 3.96Å; T430-L454 HydrophobicContact CG2-CG 3.89Å; T430-L454 CarbonylContact O-C 3.57Å; T430-L454 WeakPolarHBondContact O-CA 3.2Å; T430-F455 PolarHBondContact O-N 2.65Å
431	L	98.9	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.7	171.8	-179.2	63.4	0	0	0	109	I330 F392 L393 Q394 V433 F455 W457 I524 L533	I330-L431 HydrophobicContact CD1-CD2 4.45Å; F392-L431 PolarHBondContact O-N 2.83Å; L393-L431 WeakPolarHBondContact CA-O 3.46Å; L393-L431 HydrophobicContact CD2-CB 3.97Å; L393-L431 HydrophobicContact CD2-CD2 4.16Å; Q394-L431 PolarHBondContact N-O 2.84Å; L431-V433 HydrophobicContact CD2-CG1 3.84Å; L431-V433 HydrophobicContact CG-CG1 3.75Å; L431-V433 PolarHBondContact O-N 2.86Å; L431-F455 CarbonylContact C-O 3.57Å; L431-F455 WeakPolarHBondContact CA-O 3.22Å; L431-F455 HydrophobicContact CD1-CB 3.84Å; L431-W457 HydrophobicContact CD2-CZ2 4.38Å; L431-I524 HydrophobicContact CD1-CD1 3.75Å; L431-I524 HydrophobicContact CD1-CG1 4.21Å; L431-L533 HydrophobicContact CD2-CD1 4.13Å
432	I	98.7	Very high	97.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	108.5	174.9	-44.2	-171.7	0	0	0	108.5	Q394 L454 F455 T456 W457 A460 I462	Q394-I432 HydrophobicContact CB-CB 4.49Å; Q394-I432 HydrophobicContact CB-CG1 4.42Å; Q394-I432 HydrophobicContact CB-CG2 4.21Å; I432-L454 HydrophobicContact CD1-CD2 3.99Å; I432-L454 HydrophobicContact CG1-CD2 4.19Å; I432-F455 PolarHBondContact N-O 3.21Å; I432-T456 HydrophobicContact CB-CG2 4.29Å; I432-W457 PolarHBondContact O-N 2.94Å; I432-A460 HydrophobicContact CB-CB 4.24Å; I432-A460 HydrophobicContact CG2-CB 3.74Å; I432-I462 HydrophobicContact CD1-CD1 4.33Å
433	V	98.3	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-10.5	-176.9	-57.8	0	0	0	0	112.9	F321 I323 V326 Q394 N395 L431 W457 N459	F321-V433 HydrophobicContact CZ-CG2 4.24Å; I323-V433 HydrophobicContact CD1-CG2 3.83Å; V326-V433 HydrophobicContact CG1-CG1 4.49Å; Q394-V433 WeakPolarHBondContact O-CG2 3.38Å; Q394-V433 PolarHBondContact O-N 3.38Å; N395-V433 HydrophobicContact CB-CG2 4.11Å; L431-V433 HydrophobicContact CD2-CG1 3.84Å; L431-V433 HydrophobicContact CG-CG1 3.75Å; L431-V433 PolarHBondContact O-N 2.86Å; V433-W457 HydrophobicContact CB-CD2 3.97Å; V433-W457 HydrophobicContact CB-CE3 3.75Å; V433-W457 HydrophobicContact CB-CH2 4.26Å; V433-W457 HydrophobicContact CB-CZ2 4.47Å; V433-W457 HydrophobicContact CB-CZ3 3.93Å; V433-W457 HydrophobicContact CG1-CD2 3.87Å; V433-W457 HydrophobicContact CG1-CE3 4.09Å; V433-W457 HydrophobicContact CG1-CG 4.49Å; V433-W457 HydrophobicContact CG1-CH2 4.06Å; V433-W457 HydrophobicContact CG1-CZ2 3.84Å; V433-W457 HydrophobicContact CG1-CZ3 4.2Å; V433-N459 PolarHBondContact O-ND2 3.46Å
434	G	97.4	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	-120.4	179.8	0	0	0	0	0	111.9	Q394 A460 K461	Q394-G434 PolarHBondContact O-N 2.85Å; G434-A460 WeakPolarHBondContact O-CA 3.4Å; G434-A460 VanDerWaalsContact O-CB 3.28Å; G434-A460 WeakPolarHBondContact O-CB 3.36Å; G434-K461 PolarHBondContact O-N 2.9Å
435	G	96.3	Very high	97.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.9	178.2	0	0	0	0	0	113.7	N395 V396 K461	N395-G435 CarbonylContact C-O 3.55Å; N395-G435 WeakPolarHBondContact CA-O 3.36Å; N395-G435 PolarHBondContact OD1-N 3.2Å; N395-G435 VanDerWaalsContact OD1-N 3.16Å; V396-G435 PolarHBondContact N-O 2.83Å; V396-G435 CarbonylContact O-C 3.56Å; G435-K461 CarbonylContact C-O 3.56Å
436	S	97.8	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	85.1	165.6	-169.9	0	0	0	0	109.6	Q394 N441 K461 I462 S463	Q394-S436 PolarHBondContact NE2-OG 3.39Å; S436-N441 PolarHBondContact OG-ND2 3.2Å; S436-K461 PolarHBondContact N-O 3.37Å; S436-I462 WeakPolarHBondContact O-CA 3.35Å; S436-S463 PolarHBondContact O-N 3.25Å
437	Y	96.4	Very high	98	Very high	31 Å²	31	15 Å²	15	12%	0.122	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.5	-171.2	-61.7	-77.6	0	0	0	113.5	L317 V396 G440 K461 S463	L317-Y437 HydrophobicContact CD1-CE2 4.4Å; L317-Y437 WeakPolarHBondContact CD1-OH 3.4Å; V396-Y437 WeakPolarHBondContact O-CD2 3.35Å; V396-Y437 PolarHBondContact O-N 3.31Å; V396-Y437 VanDerWaalsContact O-N 3.12Å; Y437-G440 WeakPolarHBondContact O-CA 3.27Å; Y437-G440 PolarHBondContact O-N 2.82Å; Y437-G440 VanDerWaalsContact O-N 3.07Å; Y437-K461 WeakPolarHBondContact OH-CB 3.34Å; Y437-S463 WeakPolarHBondContact CA-O 3.32Å
438	G	96.2	Very high	98	Very high	16 Å²	16	18.3 Å²	18.3	17%	0.165	11%	0.106	C	C	.	.	H	α-helix	trans	50.5	-136.4	168.9	0	0	0	0	0	114.3	G440 N441 S463 V464	G438-G440 PolarHBondContact O-N 3.06Å; G438-G440 VanDerWaalsContact O-N 3.12Å; G438-N441 VanDerWaalsContact O-CB 3.31Å; G438-N441 WeakPolarHBondContact O-CB 3.42Å; G438-N441 PolarHBondContact O-N 3.12Å; G438-N441 VanDerWaalsContact O-N 3.1Å; G438-S463 PolarHBondContact N-O 2.89Å; G438-S463 VanDerWaalsContact N-O 3.13Å; G438-V464 WeakPolarHBondContact CA-O 3.48Å; G438-V464 PolarHBondContact N-O 2.82Å
439	A	97.2	Very high	98	Very high	48 Å²	48	19.6 Å²	19.6	40%	0.397	11%	0.11	S	C	.	.	H	α-helix	trans	-62.4	-18.9	179.6	0	0	0	0	0	113.9	F399 N441 Y442 A443	F399-A439 HydrophobicContact CD2-CB 3.8Å; F399-A439 HydrophobicContact CE2-CB 3.94Å; A439-N441 VanDerWaalsContact C-N 3.33Å; A439-Y442 HydrophobicContact CB-CD2 4.24Å; A439-Y442 WeakPolarHBondContact O-CB 3.27Å; A439-Y442 PolarHBondContact O-N 3.42Å; A439-A443 PolarHBondContact O-N 3.24Å; A439-A443 VanDerWaalsContact O-N 3.1Å
440	G	97.6	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-39.6	173.2	0	0	0	0	0	112.6	Y437 G438 Y442 A443 M444	Y437-G440 WeakPolarHBondContact O-CA 3.27Å; Y437-G440 PolarHBondContact O-N 2.82Å; Y437-G440 VanDerWaalsContact O-N 3.07Å; G438-G440 PolarHBondContact O-N 3.06Å; G438-G440 VanDerWaalsContact O-N 3.12Å; G440-Y442 PolarHBondContact O-N 3.41Å; G440-A443 PolarHBondContact O-N 2.97Å; G440-M444 WeakPolarHBondContact O-CB 3.39Å; G440-M444 WeakPolarHBondContact O-CG 3.36Å; G440-M444 PolarHBondContact O-N 2.99Å; G440-M444 VanDerWaalsContact O-N 3.08Å
441	N	98.6	Very high	97.9	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.107	13%	0.134	C	C	.	.	H	α-helix	trans	-56.2	-40.1	173.2	177	-88.8	0	0	0	111.2	Q394 S436 G438 A439 G446	Q394-N441 PolarHBondContact OE1-O 3.07Å; S436-N441 PolarHBondContact OG-ND2 3.2Å; G438-N441 VanDerWaalsContact O-CB 3.31Å; G438-N441 WeakPolarHBondContact O-CB 3.42Å; G438-N441 PolarHBondContact O-N 3.12Å; G438-N441 VanDerWaalsContact O-N 3.1Å; A439-N441 VanDerWaalsContact C-N 3.33Å; N441-G446 WeakPolarHBondContact O-CA 3.38Å; N441-G446 PolarHBondContact O-N 3Å
442	Y	98.3	Very high	97.9	Very high	107 Å²	107	25.8 Å²	25.8	42%	0.42	14%	0.138	S	C	.	.	H	α-helix	trans	-69.6	-47.7	-177.8	-53.4	-19.1	0	0	0	111.8	A439 G440 M444 C445 Y449	A439-Y442 HydrophobicContact CB-CD2 4.24Å; A439-Y442 WeakPolarHBondContact O-CB 3.27Å; A439-Y442 PolarHBondContact O-N 3.42Å; G440-Y442 PolarHBondContact O-N 3.41Å; Y442-M444 PolarHBondContact O-N 3.33Å; Y442-C445 PolarHBondContact O-N 3.29Å; Y442-Y449 WeakPolarHBondContact CB-OH 3.37Å; Y442-Y449 HydrophobicContact CD1-CE2 4.12Å; Y442-Y449 HydrophobicContact CG-CE2 4.14Å; Y442-Y449 WeakPolarHBondContact O-CE2 3.48Å
443	A	98.1	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-26.1	-179.8	0	0	0	0	0	113.3	I368 F399 L417 V418 A439 G440	I368-A443 HydrophobicContact CD1-CB 3.99Å; F399-A443 HydrophobicContact CE2-CB 3.91Å; F399-A443 HydrophobicContact CZ-CB 3.79Å; L417-A443 HydrophobicContact CD2-CB 3.78Å; L417-A443 HydrophobicContact CG-CB 4.14Å; V418-A443 HydrophobicContact CG2-CB 4.37Å; A439-A443 PolarHBondContact O-N 3.24Å; A439-A443 VanDerWaalsContact O-N 3.1Å; G440-A443 PolarHBondContact O-N 2.97Å
444	M	98.7	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	25.7	-175.4	-61.9	-62.6	-62.9	0	0	113.7	L347 I362 N364 I368 F392 Q394 V396 G440 Y442	L347-M444 HydrophobicContact CD1-CE 4Å; L347-M444 HydrophobicContact CD1-SD 3.58Å; L347-M444 VanDerWaalsContact CD1-SD 3.58Å; I362-M444 HydrophobicContact CB-CE 4.35Å; I362-M444 HydrophobicContact CG2-CE 3.69Å; I362-M444 HydrophobicContact CG2-SD 4.01Å; I362-M444 WeakPolarHBondContact O-CE 3.29Å; N364-M444 PolarHBondContact ND2-SD 3.26Å; N364-M444 VanDerWaalsContact ND2-SD 3.41Å; N364-M444 VanDerWaalsContact OD1-CE 3.25Å; N364-M444 WeakPolarHBondContact OD1-CE 3.41Å; I368-M444 HydrophobicContact CD1-CG 4.41Å; F392-M444 VanDerWaalsContact CB-O 3.29Å; F392-M444 WeakPolarHBondContact CB-O 3.47Å; F392-M444 HydrophobicContact CD1-CE 4.18Å; F392-M444 WeakPolarHBondContact CD1-O 3.33Å; F392-M444 WeakPolarHBondContact CG-O 3.22Å; Q394-M444 HydrophobicContact CG-CB 3.8Å; Q394-M444 VanDerWaalsContact OE1-CB 3.24Å; Q394-M444 PolarHBondContact OE1-O 3.01Å; V396-M444 HydrophobicContact CG1-CG 4.36Å; G440-M444 WeakPolarHBondContact O-CB 3.39Å; G440-M444 WeakPolarHBondContact O-CG 3.36Å; G440-M444 PolarHBondContact O-N 2.99Å; G440-M444 VanDerWaalsContact O-N 3.08Å; Y442-M444 PolarHBondContact O-N 3.33Å
445	C	98.7	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	43.3	175.4	-161.6	0	0	0	0	114.4	F392 V421 T430 Y442	F392-C445 HydrophobicContact CB-CB 4.44Å; F392-C445 HydrophobicContact CD1-CB 3.9Å; F392-C445 HydrophobicContact CD2-CB 3.5Å; F392-C445 VanDerWaalsContact CD2-CB 3.5Å; F392-C445 HydrophobicContact CE1-CB 3.94Å; F392-C445 HydrophobicContact CE2-CB 3.55Å; F392-C445 HydrophobicContact CG-CB 3.69Å; F392-C445 HydrophobicContact CZ-CB 3.78Å; V421-C445 HydrophobicContact CG1-CB 3.71Å; T430-C445 PolarHBondContact OG1-O 2.99Å; Y442-C445 PolarHBondContact O-N 3.29Å
446	G	98.6	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.			trans	-57.8	178.4	169.5	0	0	0	0	0	113.7	N441 A448 Y449	N441-G446 WeakPolarHBondContact O-CA 3.38Å; N441-G446 PolarHBondContact O-N 3Å; G446-A448 PolarHBondContact O-N 2.85Å; G446-Y449 PolarHBondContact O-N 3.39Å
447	R	98.5	Very high	98.2	Very high	58 Å²	58	26 Å²	26	22%	0.219	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-51.3	-34.7	-167.7	-168.6	56	158.7	-171.4	-9.3	115.2	R145 Y449 L454 L518 W519 D521	R145-R447 VanDerWaalsContact NE-NH1 3.17Å; R145-R447 VanDerWaalsContact NH2-NH1 3.16Å; R447-Y449 PolarHBondContact O-N 3.38Å; R447-L454 HydrophobicContact CB-CD1 4.37Å; R447-L518 PolarHBondContact NE-O 3Å; R447-L518 PolarHBondContact NH2-O 3.02Å; R447-W519 WeakPolarHBondContact CD-O 3.24Å; R447-D521 IonicContact CZ-OD1 2.7Å; R447-D521 VanDerWaalsContact CZ-OD1 3.29Å; R447-D521 IonicContact NH1-OD1 2.66Å; R447-D521 PolarHBondContact NH1-OD1 2.75Å; R447-D521 IonicContact NH1-OD2 3.63Å; R447-D521 PolarHBondContact NH1-OD2 3.21Å; R447-D521 IonicContact NH2-OD1 3.43Å; R447-D521 PolarHBondContact NH2-OD1 3.48Å
448	A	98.4	Very high	98.3	Very high	83 Å²	83	24.8 Å²	24.8	69%	0.686	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-73	-9.6	-179.2	0	0	0	0	0	114.7	G446	G446-A448 PolarHBondContact O-N 2.85Å
449	Y	98.3	Very high	98.3	Very high	40 Å²	40	24.5 Å²	24.5	16%	0.157	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-101.5	16.3	-178	-66.4	-88.8	0	0	0	112.7	V418 V421 S422 K428 Y442 G446 R447	V418-Y449 HydrophobicContact CG1-CE1 3.64Å; V418-Y449 VanDerWaalsContact CG1-OH 3.31Å; V418-Y449 WeakPolarHBondContact CG1-OH 3.33Å; V421-Y449 HydrophobicContact CG1-CD1 3.97Å; V421-Y449 HydrophobicContact CG1-CG 4.12Å; S422-Y449 WeakPolarHBondContact OG-CD1 3.28Å; S422-Y449 VanDerWaalsContact OG-CE1 3.24Å; S422-Y449 WeakPolarHBondContact OG-CE1 3.38Å; K428-Y449 WeakPolarHBondContact CE-O 3.48Å; K428-Y449 PolarHBondContact NZ-O 3.42Å; Y442-Y449 WeakPolarHBondContact CB-OH 3.37Å; Y442-Y449 HydrophobicContact CD1-CE2 4.12Å; Y442-Y449 HydrophobicContact CG-CE2 4.14Å; Y442-Y449 WeakPolarHBondContact O-CE2 3.48Å; G446-Y449 PolarHBondContact O-N 3.39Å; R447-Y449 PolarHBondContact O-N 3.38Å
450	E	97.3	Very high	98.4	Very high	112 Å²	112	22.3 Å²	22.3	52%	0.523	11%	0.112	S	C	.	.			trans	51.4	54.9	173.6	-58.4	174.6	165.3	0	0	112.8
451	P	98.5	Very high	98.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.121	C	C	.	.			trans	-63.9	138.4	163.6	30.4	-34	0	0	0	109.1	R145 K428 F453 L454	R145-P451 PolarHBondContact NH2-O 2.9Å; K428-P451 CarbonylContact O-C 3.56Å; K428-P451 WeakPolarHBondContact O-CA 3.29Å; P451-F453 PolarHBondContact O-N 3.38Å; P451-L454 HydrophobicContact CG-CB 3.91Å; P451-L454 HydrophobicContact CG-CD1 4.09Å
452	R	98.2	Very high	98.3	Very high	22 Å²	22	24.5 Å²	24.5	8%	0.083	12%	0.121	C	C	.	.	S	Bend	trans	-55.1	-38.3	176.9	-62.3	-59.2	-172.6	85.1	-0.3	110.6	R145 E152 N153 P427 K428 L429 A540 S543	R145-R452 PolarHBondContact NH2-O 3.1Å; R145-R452 VanDerWaalsContact NH2-O 3.11Å; E152-R452 PolarHBondContact O-NH1 3.42Å; E152-R452 VanDerWaalsContact OE2-CD 3.26Å; E152-R452 WeakPolarHBondContact OE2-CD 3.3Å; N153-R452 PolarHBondContact OD1-NH1 3.35Å; P427-R452 HydrophobicContact CB-CG 4.32Å; K428-R452 PolarHBondContact O-N 2.91Å; L429-R452 HydrophobicContact CD2-CB 4.31Å; R452-A540 HydrophobicContact CB-CB 4.19Å; R452-A540 HydrophobicContact CG-CB 4.16Å; R452-S543 PolarHBondContact NH1-OG 3.47Å; R452-S543 PolarHBondContact NH2-OG 3.07Å
453	F	98.8	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.3	170.9	-58.6	-88.7	0	0	0	110.5	L88 L90 I113 I149 L429 T430 P451 F455 D521 A536 V539 A540	L88-F453 HydrophobicContact CD2-CE1 4.32Å; L90-F453 HydrophobicContact CD2-CD1 4.27Å; L90-F453 HydrophobicContact CD2-CE1 4.25Å; I113-F453 HydrophobicContact CD1-CE1 3.76Å; I113-F453 HydrophobicContact CD1-CZ 3.6Å; I149-F453 HydrophobicContact CD1-CD1 4.33Å; I149-F453 HydrophobicContact CD1-CE1 4.15Å; I149-F453 HydrophobicContact CG2-CE1 3.7Å; I149-F453 HydrophobicContact CG2-CZ 3.71Å; L429-F453 HydrophobicContact CD2-CB 4.1Å; L429-F453 HydrophobicContact CD2-CD2 3.74Å; L429-F453 HydrophobicContact CD2-CG 4.41Å; T430-F453 PolarHBondContact N-O 3.36Å; P451-F453 PolarHBondContact O-N 3.38Å; F453-F455 HydrophobicContact CB-CD2 4.34Å; F453-F455 HydrophobicContact CB-CE2 3.62Å; F453-F455 HydrophobicContact CB-CZ 4.05Å; F453-F455 HydrophobicContact CD1-CE2 4.47Å; F453-F455 HydrophobicContact CD1-CZ 4.12Å; F453-F455 HydrophobicContact CG-CE2 4.29Å; F453-F455 HydrophobicContact CG-CZ 4.4Å; F453-D521 WeakPolarHBondContact CA-OD2 3.32Å; F453-A536 HydrophobicContact CB-CB 4.18Å; F453-A536 HydrophobicContact CD1-CB 4.5Å; F453-A536 HydrophobicContact CD2-CB 3.58Å; F453-A536 HydrophobicContact CE2-CB 4.07Å; F453-A536 HydrophobicContact CG-CB 3.82Å; F453-V539 HydrophobicContact CE2-CB 4.44Å; F453-V539 HydrophobicContact CE2-CG1 4.22Å; F453-V539 HydrophobicContact CZ-CB 4.45Å; F453-V539 HydrophobicContact CZ-CG1 4.04Å; F453-A540 HydrophobicContact CE2-CB 4.47Å
454	L	98.9	Very high	98.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	171	-171.9	156.9	0	0	0	109.3	T430 I432 R447 P451 D520 D521	T430-L454 HydrophobicContact CG2-CD1 3.96Å; T430-L454 HydrophobicContact CG2-CG 3.89Å; T430-L454 CarbonylContact O-C 3.57Å; T430-L454 WeakPolarHBondContact O-CA 3.2Å; I432-L454 HydrophobicContact CD1-CD2 3.99Å; I432-L454 HydrophobicContact CG1-CD2 4.19Å; R447-L454 HydrophobicContact CB-CD1 4.37Å; P451-L454 HydrophobicContact CG-CB 3.91Å; P451-L454 HydrophobicContact CG-CD1 4.09Å; L454-D520 HydrophobicContact CD2-CB 3.4Å; L454-D521 PolarHBondContact N-OD2 2.65Å; L454-D521 WeakPolarHBondContact O-CB 3.47Å; L454-D521 PolarHBondContact O-N 2.8Å
455	F	98.9	Very high	97.9	Very high	3 Å²	3	28 Å²	28	1%	0.013	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	161.7	175.9	-60	-72.7	0	0	0	111.4	L88 L90 T430 L431 I432 F453 D521 I524 V532 A536	L88-F455 HydrophobicContact CD1-CZ 4.23Å; L88-F455 HydrophobicContact CD2-CZ 4.4Å; L90-F455 HydrophobicContact CD2-CE1 4.49Å; T430-F455 PolarHBondContact O-N 2.65Å; L431-F455 CarbonylContact C-O 3.57Å; L431-F455 WeakPolarHBondContact CA-O 3.22Å; L431-F455 HydrophobicContact CD1-CB 3.84Å; I432-F455 PolarHBondContact N-O 3.21Å; F453-F455 HydrophobicContact CB-CD2 4.34Å; F453-F455 HydrophobicContact CB-CE2 3.62Å; F453-F455 HydrophobicContact CB-CZ 4.05Å; F453-F455 HydrophobicContact CD1-CE2 4.47Å; F453-F455 HydrophobicContact CD1-CZ 4.12Å; F453-F455 HydrophobicContact CG-CE2 4.29Å; F453-F455 HydrophobicContact CG-CZ 4.4Å; F455-D521 HydrophobicContact CD1-CB 4.38Å; F455-D521 HydrophobicContact CE1-CB 4.03Å; F455-I524 HydrophobicContact CB-CD1 4Å; F455-I524 HydrophobicContact CB-CG1 4.27Å; F455-I524 HydrophobicContact CB-CG2 4.32Å; F455-I524 HydrophobicContact CD1-CG2 3.92Å; F455-I524 HydrophobicContact CG-CD1 4.41Å; F455-I524 HydrophobicContact CG-CG2 4.28Å; F455-V532 HydrophobicContact CD1-CG1 4.26Å; F455-V532 HydrophobicContact CD2-CG1 3.69Å; F455-V532 HydrophobicContact CE1-CG1 4.06Å; F455-V532 HydrophobicContact CE2-CG1 3.44Å; F455-V532 VanDerWaalsContact CE2-CG1 3.44Å; F455-V532 HydrophobicContact CG-CG1 4.09Å; F455-V532 HydrophobicContact CZ-CG1 3.65Å; F455-A536 HydrophobicContact CE2-CB 4.19Å
456	T	98.8	Very high	97.5	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.1	-175.3	-57.6	0	0	0	0	109.8	I432 A460 A511 D520 G522 V523 I524	I432-T456 HydrophobicContact CB-CG2 4.29Å; T456-A460 HydrophobicContact CG2-CB 3.64Å; T456-A511 HydrophobicContact CG2-CB 3.88Å; T456-D520 VanDerWaalsContact OG1-CB 3.29Å; T456-D520 WeakPolarHBondContact OG1-CB 3.29Å; T456-D520 PolarHBondContact OG1-OD2 3.01Å; T456-G522 PolarHBondContact N-O 3.21Å; T456-G522 VanDerWaalsContact N-O 3.12Å; T456-V523 CarbonylContact O-C 3.56Å; T456-V523 VanDerWaalsContact O-CA 3.23Å; T456-V523 WeakPolarHBondContact O-CA 2.99Å; T456-I524 PolarHBondContact O-N 3.32Å
457	W	98.7	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.			trans	-83.5	157.4	168.9	-75.7	0.8	0	0	0	112.1	L309 V313 V326 L431 I432 V433 N459 A460 P526 S529	L309-W457 HydrophobicContact CB-CH2 4.25Å; L309-W457 HydrophobicContact CD1-CH2 3.88Å; L309-W457 HydrophobicContact CD1-CZ2 4Å; L309-W457 HydrophobicContact CD2-CH2 4.22Å; L309-W457 HydrophobicContact CG-CH2 4.35Å; V313-W457 HydrophobicContact CB-CZ3 3.99Å; V313-W457 HydrophobicContact CG1-CE3 4.28Å; V313-W457 HydrophobicContact CG1-CZ3 3.96Å; V313-W457 HydrophobicContact CG2-CH2 4.33Å; V313-W457 HydrophobicContact CG2-CZ3 3.71Å; V326-W457 HydrophobicContact CG1-CH2 4Å; V326-W457 HydrophobicContact CG1-CZ2 4.27Å; V326-W457 HydrophobicContact CG2-CH2 4.33Å; L431-W457 HydrophobicContact CD2-CZ2 4.38Å; I432-W457 PolarHBondContact O-N 2.94Å; V433-W457 HydrophobicContact CB-CD2 3.97Å; V433-W457 HydrophobicContact CB-CE3 3.75Å; V433-W457 HydrophobicContact CB-CH2 4.26Å; V433-W457 HydrophobicContact CB-CZ2 4.47Å; V433-W457 HydrophobicContact CB-CZ3 3.93Å; V433-W457 HydrophobicContact CG1-CD2 3.87Å; V433-W457 HydrophobicContact CG1-CE3 4.09Å; V433-W457 HydrophobicContact CG1-CG 4.49Å; V433-W457 HydrophobicContact CG1-CH2 4.06Å; V433-W457 HydrophobicContact CG1-CZ2 3.84Å; V433-W457 HydrophobicContact CG1-CZ3 4.2Å; W457-N459 VanDerWaalsContact C-N 3.28Å; W457-N459 VanDerWaalsContact CB-OD1 3.24Å; W457-N459 WeakPolarHBondContact CB-OD1 3.39Å; W457-N459 PolarHBondContact O-N 3.03Å; W457-A460 VanDerWaalsContact O-CB 3.26Å; W457-A460 WeakPolarHBondContact O-CB 3.45Å; W457-A460 PolarHBondContact O-N 3.35Å; W457-P526 HydrophobicContact CB-CG 4.46Å; W457-P526 HydrophobicContact CD2-CB 3.91Å; W457-P526 HydrophobicContact CD2-CG 3.73Å; W457-P526 HydrophobicContact CE3-CB 4.09Å; W457-P526 HydrophobicContact CE3-CG 3.91Å; W457-P526 HydrophobicContact CG-CG 3.98Å; W457-P526 HydrophobicContact CH2-CB 4.03Å; W457-P526 HydrophobicContact CZ2-CB 3.83Å; W457-P526 HydrophobicContact CZ3-CB 4.12Å; W457-P526 HydrophobicContact CZ3-CG 4.38Å; W457-S529 WeakPolarHBondContact CZ2-OG 3.32Å; W457-S529 PolarHBondContact NE1-OG 3.12Å
458	P	98.3	Very high	96.8	Very high	5 Å²	5	31 Å²	31	3%	0.032	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.8	-174.7	-24.8	37.1	0	0	0	114.8	L42 V43 V46 V523 I524	L42-P458 HydrophobicContact CB-CB 3.73Å; V43-P458 HydrophobicContact CG2-CG 3.91Å; V46-P458 HydrophobicContact CG2-CB 4Å; V46-P458 HydrophobicContact CG2-CG 4.13Å; P458-V523 HydrophobicContact CB-CG1 4.3Å; P458-V523 HydrophobicContact CG-CG1 3.87Å; P458-I524 WeakPolarHBondContact CD-O 3.29Å
459	N	97.9	Very high	96.5	Very high	9 Å²	9	32 Å²	32	5%	0.048	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16	176.3	63.8	-52.6	0	0	0	113.9	L39 L42 G314 V433 W457	L39-N459 HydrophobicContact CD1-CB 3.75Å; L42-N459 HydrophobicContact CD1-CB 3.91Å; G314-N459 PolarHBondContact O-ND2 3.39Å; V433-N459 PolarHBondContact O-ND2 3.46Å; W457-N459 VanDerWaalsContact C-N 3.28Å; W457-N459 VanDerWaalsContact CB-OD1 3.24Å; W457-N459 WeakPolarHBondContact CB-OD1 3.39Å; W457-N459 PolarHBondContact O-N 3.03Å
460	A	97.8	Very high	96.2	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	17%	0.169	C	C	.	.			trans	-67.3	151.2	-171.7	0	0	0	0	0	111.3	I432 G434 T456 W457	I432-A460 HydrophobicContact CB-CB 4.24Å; I432-A460 HydrophobicContact CG2-CB 3.74Å; G434-A460 WeakPolarHBondContact O-CA 3.4Å; G434-A460 VanDerWaalsContact O-CB 3.28Å; G434-A460 WeakPolarHBondContact O-CB 3.36Å; T456-A460 HydrophobicContact CG2-CB 3.64Å; W457-A460 VanDerWaalsContact O-CB 3.26Å; W457-A460 WeakPolarHBondContact O-CB 3.45Å; W457-A460 PolarHBondContact O-N 3.35Å
461	K	97.1	Very high	96.1	Very high	43 Å²	43	24.9 Å²	24.9	19%	0.187	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.9	172.6	-67.1	-175.8	-172.2	170.3	0	111.3	L317 G434 G435 S436 Y437 E506 G509	L317-K461 HydrophobicContact CD1-CB 3.64Å; L317-K461 HydrophobicContact CD1-CD 3.64Å; L317-K461 HydrophobicContact CD1-CG 3.66Å; G434-K461 PolarHBondContact O-N 2.9Å; G435-K461 CarbonylContact C-O 3.56Å; S436-K461 PolarHBondContact N-O 3.37Å; Y437-K461 WeakPolarHBondContact OH-CB 3.34Å; K461-E506 VanDerWaalsContact CE-OE1 3.3Å; K461-E506 WeakPolarHBondContact CE-OE1 3.5Å; K461-E506 IonicContact NZ-OE1 3.38Å; K461-E506 PolarHBondContact NZ-OE1 2.85Å; K461-E506 IonicContact NZ-OE2 3.83Å; K461-E506 PolarHBondContact NZ-OE2 3.44Å; K461-G509 CarbonylContact C-O 3.57Å; K461-G509 WeakPolarHBondContact CA-O 3.3Å; K461-G509 WeakPolarHBondContact CB-O 3.41Å
462	I	97.6	Very high	95.9	Very high	24 Å²	24	26.3 Å²	26.3	12%	0.123	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.7	-180	-179.1	169	0	0	0	110	I432 S436 G509 A514 W519	I432-I462 HydrophobicContact CD1-CD1 4.33Å; S436-I462 WeakPolarHBondContact O-CA 3.35Å; I462-G509 PolarHBondContact N-O 2.98Å; I462-G509 VanDerWaalsContact O-CA 3.26Å; I462-G509 WeakPolarHBondContact O-CA 3.46Å; I462-A514 HydrophobicContact CG2-CB 3.54Å; I462-W519 HydrophobicContact CG2-CE3 3.81Å; I462-W519 HydrophobicContact CG2-CZ3 4.14Å
463	S	96.8	Very high	95.7	Very high	24 Å²	24	28.9 Å²	28.9	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	166.9	178.1	-171.5	0	0	0	0	111.3	S436 Y437 G438 M465 F505	S436-S463 PolarHBondContact O-N 3.25Å; Y437-S463 WeakPolarHBondContact CA-O 3.32Å; G438-S463 PolarHBondContact N-O 2.89Å; G438-S463 VanDerWaalsContact N-O 3.13Å; S463-M465 WeakPolarHBondContact CB-O 3.37Å; S463-M465 PolarHBondContact O-N 2.92Å; S463-M465 PolarHBondContact OG-O 2.86Å; S463-F505 WeakPolarHBondContact OG-CD1 3.18Å
464	V	96.6	Very high	95.5	Very high	88 Å²	88	32.7 Å²	32.7	53%	0.533	19%	0.194	S	C	.	.	S	Bend	trans	-62.8	-31.8	174.5	65.8	0	0	0	0	111.8	G438 F505	G438-V464 WeakPolarHBondContact CA-O 3.48Å; G438-V464 PolarHBondContact N-O 2.82Å; V464-F505 HydrophobicContact CG1-CE1 3.76Å; V464-F505 HydrophobicContact CG1-CZ 4.29Å
465	M	93.3	Very high	95.3	Very high	67 Å²	67	32.6 Å²	32.6	33%	0.33	19%	0.194	S	C	.	.	S	Bend	trans	-162.3	174.2	171.4	64.1	-173.3	72.3	0	0	110	S463 Q469 A470 F505	S463-M465 WeakPolarHBondContact CB-O 3.37Å; S463-M465 PolarHBondContact O-N 2.92Å; S463-M465 PolarHBondContact OG-O 2.86Å; M465-Q469 HydrophobicContact SD-CB 4.44Å; M465-A470 HydrophobicContact CG-CB 3.83Å; M465-A470 HydrophobicContact SD-CB 3.84Å; M465-F505 HydrophobicContact CG-CE1 4.11Å
466	G	90.8	Very high	95	Very high	12 Å²	12	35.9 Å²	35.9	12%	0.124	21%	0.212	C	C	.	.			trans	-65.6	144.8	174.9	0	0	0	0	0	112.1	S468 Q469 A470	G466-S468 VanDerWaalsContact C-N 3.32Å; G466-S468 PolarHBondContact O-N 2.99Å; G466-Q469 WeakPolarHBondContact O-CA 3.31Å; G466-Q469 WeakPolarHBondContact O-CB 3.34Å; G466-Q469 PolarHBondContact O-N 3.43Å; G466-A470 PolarHBondContact O-N 3.05Å
467	G	91.5	Very high	94.8	Very high	17 Å²	17	40.7 Å²	40.7	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-38.9	-176.9	0	0	0	0	0	114.1	Q469 A470 A471 F505	G467-Q469 VanDerWaalsContact C-N 3.32Å; G467-Q469 PolarHBondContact O-N 3.41Å; G467-A470 PolarHBondContact O-N 2.7Å; G467-A471 VanDerWaalsContact O-CB 3.26Å; G467-A471 WeakPolarHBondContact O-CB 3.38Å; G467-A471 PolarHBondContact O-N 3.26Å; G467-F505 VanDerWaalsContact CA-CB 3.42Å
468	S	90.7	Very high	94.5	Very high	92 Å²	92	46.2 Å²	46.2	64%	0.643	26%	0.26	S	S	*	.	H	α-helix	trans	-64.6	-35.6	174.2	55.3	0	0	0	0	112.8	G466 A472	G466-S468 VanDerWaalsContact C-N 3.32Å; G466-S468 PolarHBondContact O-N 2.99Å; S468-A472 WeakPolarHBondContact O-CB 3.19Å; S468-A472 PolarHBondContact O-N 3Å
469	Q	91.4	Very high	94.2	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	28%	0.275	S	S	.	.	H	α-helix	trans	-68.7	-47.6	176.7	-62.3	170.5	-30.9	0	0	110.6	M465 G466 G467 A471 A472 V473	M465-Q469 HydrophobicContact SD-CB 4.44Å; G466-Q469 WeakPolarHBondContact O-CA 3.31Å; G466-Q469 WeakPolarHBondContact O-CB 3.34Å; G466-Q469 PolarHBondContact O-N 3.43Å; G467-Q469 VanDerWaalsContact C-N 3.32Å; G467-Q469 PolarHBondContact O-N 3.41Å; Q469-A471 PolarHBondContact O-N 3.44Å; Q469-A472 PolarHBondContact O-N 3.42Å; Q469-V473 WeakPolarHBondContact O-CG2 3.44Å; Q469-V473 PolarHBondContact O-N 3.09Å
470	A	93.3	Very high	94.1	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-45.5	177.1	0	0	0	0	0	112	M465 G466 G467 A472 V473 L474 I501 F505	M465-A470 HydrophobicContact CG-CB 3.83Å; M465-A470 HydrophobicContact SD-CB 3.84Å; G466-A470 PolarHBondContact O-N 3.05Å; G467-A470 PolarHBondContact O-N 2.7Å; A470-A472 PolarHBondContact O-N 2.85Å; A470-V473 PolarHBondContact O-N 2.83Å; A470-L474 WeakPolarHBondContact O-CB 3.44Å; A470-L474 WeakPolarHBondContact O-CG 3.35Å; A470-L474 PolarHBondContact O-N 3.5Å; A470-I501 HydrophobicContact CB-CG2 4.12Å; A470-F505 HydrophobicContact CB-CD1 3.81Å; A470-F505 HydrophobicContact CB-CD2 4.17Å; A470-F505 HydrophobicContact CB-CE1 3.42Å; A470-F505 VanDerWaalsContact CB-CE1 3.42Å; A470-F505 HydrophobicContact CB-CE2 3.82Å; A470-F505 HydrophobicContact CB-CG 4.17Å; A470-F505 HydrophobicContact CB-CZ 3.42Å; A470-F505 VanDerWaalsContact CB-CZ 3.42Å
471	A	94.8	Very high	93.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-45.9	176.5	0	0	0	0	0	111.9	G467 Q469 A475 R498 I501 S502	G467-A471 VanDerWaalsContact O-CB 3.26Å; G467-A471 WeakPolarHBondContact O-CB 3.38Å; G467-A471 PolarHBondContact O-N 3.26Å; Q469-A471 PolarHBondContact O-N 3.44Å; A471-A475 WeakPolarHBondContact O-CB 3.41Å; A471-A475 PolarHBondContact O-N 2.93Å; A471-R498 HydrophobicContact CB-CB 3.98Å; A471-R498 HydrophobicContact CB-CG 4.11Å; A471-R498 WeakPolarHBondContact CB-O 3.21Å; A471-I501 HydrophobicContact CB-CB 4.23Å; A471-I501 HydrophobicContact CB-CG2 4.07Å; A471-S502 VanDerWaalsContact CB-OG 3.26Å; A471-S502 WeakPolarHBondContact CB-OG 3.36Å
472	A	94.2	Very high	93.7	Very high	31 Å²	31	61 Å²	61	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-44.8	178	0	0	0	0	0	112.3	S468 Q469 A470 A475 N476	S468-A472 WeakPolarHBondContact O-CB 3.19Å; S468-A472 PolarHBondContact O-N 3Å; Q469-A472 PolarHBondContact O-N 3.42Å; A470-A472 PolarHBondContact O-N 2.85Å; A472-A475 PolarHBondContact O-N 3.4Å; A472-N476 WeakPolarHBondContact O-CB 3.49Å; A472-N476 PolarHBondContact O-N 2.66Å; A472-N476 PolarHBondContact O-ND2 3.32Å
473	V	94.4	Very high	93.5	Very high	75 Å²	75	64.2 Å²	64.2	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-49.4	179	171	0	0	0	0	111.2	Q469 A470 A475 N476 I477	Q469-V473 WeakPolarHBondContact O-CG2 3.44Å; Q469-V473 PolarHBondContact O-N 3.09Å; A470-V473 PolarHBondContact O-N 2.83Å; V473-A475 PolarHBondContact O-N 2.82Å; V473-N476 PolarHBondContact O-N 3.1Å; V473-I477 HydrophobicContact CG1-CD1 3.95Å; V473-I477 WeakPolarHBondContact O-CG1 3.41Å; V473-I477 PolarHBondContact O-N 2.86Å
474	L	93.6	Very high	93.3	Very high	81 Å²	81	67.2 Å²	67.2	42%	0.424	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-36.2	-179	-71.5	173.4	0	0	0	112.3	A470 K478 I501	A470-L474 WeakPolarHBondContact O-CB 3.44Å; A470-L474 WeakPolarHBondContact O-CG 3.35Å; A470-L474 PolarHBondContact O-N 3.5Å; L474-K478 WeakPolarHBondContact O-CB 3.49Å; L474-K478 PolarHBondContact O-N 3.45Å; L474-K478 VanDerWaalsContact O-N 3.13Å; L474-I501 HydrophobicContact CB-CD1 3.7Å; L474-I501 HydrophobicContact CD1-CD1 3.59Å; L474-I501 HydrophobicContact CD1-CG1 4.24Å; L474-I501 HydrophobicContact CD1-CG2 4.12Å; L474-I501 HydrophobicContact CG-CD1 4.29Å
475	A	94.1	Very high	93.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-43.8	172.7	0	0	0	0	0	111.6	A471 A472 V473 K478 K479 I497 R498	A471-A475 WeakPolarHBondContact O-CB 3.41Å; A471-A475 PolarHBondContact O-N 2.93Å; A472-A475 PolarHBondContact O-N 3.4Å; V473-A475 PolarHBondContact O-N 2.82Å; A475-K478 PolarHBondContact O-N 3.02Å; A475-K479 VanDerWaalsContact O-CB 3.31Å; A475-K479 WeakPolarHBondContact O-CB 3.43Å; A475-K479 PolarHBondContact O-N 2.78Å; A475-I497 HydrophobicContact CB-CG2 4.29Å; A475-R498 HydrophobicContact CB-CG 3.68Å
476	N	93.7	Very high	93.1	Very high	73 Å²	73	67.7 Å²	67.7	39%	0.39	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-45.2	177.8	-72.5	-17.7	0	0	0	112.2	A472 V473 K478 K479 D480	A472-N476 WeakPolarHBondContact O-CB 3.49Å; A472-N476 PolarHBondContact O-N 2.66Å; A472-N476 PolarHBondContact O-ND2 3.32Å; V473-N476 PolarHBondContact O-N 3.1Å; N476-K478 VanDerWaalsContact C-N 3.29Å; N476-K478 PolarHBondContact O-N 3.4Å; N476-K479 WeakPolarHBondContact O-CB 3.42Å; N476-K479 PolarHBondContact O-N 2.96Å; N476-D480 VanDerWaalsContact O-CG 3.25Å; N476-D480 PolarHBondContact O-N 3.46Å
477	I	93.6	Very high	93.1	Very high	104 Å²	104	72.6 Å²	72.6	53%	0.533	40%	0.402	S	S	.	.	H	α-helix	trans	-58.2	-43.8	176.5	-68.6	167.1	0	0	0	110.9	V473 D480 R481	V473-I477 HydrophobicContact CG1-CD1 3.95Å; V473-I477 WeakPolarHBondContact O-CG1 3.41Å; V473-I477 PolarHBondContact O-N 2.86Å; I477-D480 PolarHBondContact O-N 3.41Å; I477-R481 PolarHBondContact O-N 3.41Å; I477-R481 VanDerWaalsContact O-N 3.09Å
478	K	92.5	Very high	92.9	Very high	115 Å²	115	80.2 Å²	80.2	50%	0.5	43%	0.433	S	S	.	.	H	α-helix	trans	-71.2	-36.3	179.8	-172	167.5	157.9	-167	0	111.8	L474 A475 N476 R481 C482 W489 I497	L474-K478 WeakPolarHBondContact O-CB 3.49Å; L474-K478 PolarHBondContact O-N 3.45Å; L474-K478 VanDerWaalsContact O-N 3.13Å; A475-K478 PolarHBondContact O-N 3.02Å; N476-K478 VanDerWaalsContact C-N 3.29Å; N476-K478 PolarHBondContact O-N 3.4Å; K478-R481 PolarHBondContact O-N 2.72Å; K478-C482 VanDerWaalsContact O-CB 3.32Å; K478-C482 WeakPolarHBondContact O-CB 3.34Å; K478-C482 PolarHBondContact O-N 2.81Å; K478-W489 HydrophobicContact CB-CH2 3.9Å; K478-W489 HydrophobicContact CB-CZ3 4.32Å; K478-W489 HydrophobicContact CD-CH2 4.36Å; K478-W489 HydrophobicContact CG-CH2 3.83Å; K478-W489 HydrophobicContact CG-CZ3 3.85Å; K478-I497 HydrophobicContact CB-CD1 4.34Å; K478-I497 HydrophobicContact CD-CD1 3.48Å; K478-I497 VanDerWaalsContact CD-CD1 3.48Å; K478-I497 HydrophobicContact CD-CG1 4.15Å; K478-I497 HydrophobicContact CG-CD1 4.12Å
479	K	93.4	Very high	92.8	Very high	81 Å²	81	78 Å²	78	35%	0.352	41%	0.41	S	S	.	.	H	α-helix	trans	-59.5	-50.5	171.6	178.8	179.6	177.1	-176.8	0	111.1	A475 N476 R481 C482 L483 W489	A475-K479 VanDerWaalsContact O-CB 3.31Å; A475-K479 WeakPolarHBondContact O-CB 3.43Å; A475-K479 PolarHBondContact O-N 2.78Å; N476-K479 WeakPolarHBondContact O-CB 3.42Å; N476-K479 PolarHBondContact O-N 2.96Å; K479-R481 VanDerWaalsContact C-N 3.31Å; K479-R481 PolarHBondContact O-N 2.84Å; K479-C482 WeakPolarHBondContact O-CB 3.44Å; K479-C482 PolarHBondContact O-N 2.94Å; K479-C482 VanDerWaalsContact O-N 3.1Å; K479-L483 HydrophobicContact CG-CD1 3.94Å; K479-L483 HydrophobicContact CG-CG 4.38Å; K479-L483 WeakPolarHBondContact O-CG 3.47Å; K479-L483 PolarHBondContact O-N 2.88Å; K479-W489 HydrophobicContact CB-CD2 3.86Å; K479-W489 HydrophobicContact CB-CE3 4.31Å; K479-W489 HydrophobicContact CB-CG 4.21Å; K479-W489 HydrophobicContact CB-CH2 4.2Å; K479-W489 HydrophobicContact CB-CZ2 3.87Å; K479-W489 HydrophobicContact CB-CZ3 4.47Å; K479-W489 HydrophobicContact CD-CG 4.27Å; K479-W489 HydrophobicContact CG-CB 4.27Å; K479-W489 HydrophobicContact CG-CD2 3.95Å; K479-W489 HydrophobicContact CG-CG 3.75Å
480	D	93.9	Very high	92.8	Very high	103 Å²	103	76.8 Å²	76.8	55%	0.551	41%	0.407	S	S	*	.	H	α-helix	trans	-61.1	-41.1	-179	-67.4	-17	0	0	0	111.4	N476 I477 A484	N476-D480 VanDerWaalsContact O-CG 3.25Å; N476-D480 PolarHBondContact O-N 3.46Å; I477-D480 PolarHBondContact O-N 3.41Å; D480-A484 VanDerWaalsContact O-CB 3.29Å; D480-A484 WeakPolarHBondContact O-CB 3.41Å; D480-A484 PolarHBondContact O-N 2.8Å
481	R	94.1	Very high	92.6	Very high	171 Å²	171	85 Å²	85	65%	0.645	45%	0.445	S	S	*	.	H	α-helix	trans	-64.1	-43.7	172.9	-176.7	178.4	174.2	170	3.4	112.5	I477 K478 K479 L483 A484 E485	I477-R481 PolarHBondContact O-N 3.41Å; I477-R481 VanDerWaalsContact O-N 3.09Å; K478-R481 PolarHBondContact O-N 2.72Å; K479-R481 VanDerWaalsContact C-N 3.31Å; K479-R481 PolarHBondContact O-N 2.84Å; R481-L483 VanDerWaalsContact C-N 3.34Å; R481-L483 PolarHBondContact O-N 2.97Å; R481-A484 PolarHBondContact O-N 3.14Å; R481-E485 IonicContact CZ-OE1 2.74Å; R481-E485 IonicContact NE-OE1 3.37Å; R481-E485 PolarHBondContact NE-OE1 2.98Å; R481-E485 IonicContact NH2-OE1 3.96Å; R481-E485 WeakPolarHBondContact O-CG 3.3Å; R481-E485 PolarHBondContact O-N 3.42Å
482	C	92.8	Very high	92.4	Very high	15 Å²	15	90.2 Å²	90.2	10%	0.101	47%	0.473	C	S	.	.	H	α-helix	trans	-59.8	-46.6	178.7	-160.6	0	0	0	0	111	K478 K479 E485 G486 K487 Q488 W489	K478-C482 VanDerWaalsContact O-CB 3.32Å; K478-C482 WeakPolarHBondContact O-CB 3.34Å; K478-C482 PolarHBondContact O-N 2.81Å; K479-C482 WeakPolarHBondContact O-CB 3.44Å; K479-C482 PolarHBondContact O-N 2.94Å; K479-C482 VanDerWaalsContact O-N 3.1Å; C482-E485 CarbonylContact O-C 3.55Å; C482-E485 PolarHBondContact O-N 3.29Å; C482-G486 PolarHBondContact O-N 2.91Å; C482-K487 WeakPolarHBondContact O-CB 3.31Å; C482-K487 PolarHBondContact O-N 2.83Å; C482-K487 WeakPolarHBondContact SG-CB 3.4Å; C482-Q488 PolarHBondContact SG-O 3.12Å; C482-W489 HydrophobicContact CB-CE3 3.75Å; C482-W489 HydrophobicContact CB-CZ3 4.13Å
483	L	93.2	Very high	92.1	Very high	91 Å²	91	91.9 Å²	91.9	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-39.3	177.5	-65.9	175.3	0	0	0	112	K479 R481 E485 G486	K479-L483 HydrophobicContact CG-CD1 3.94Å; K479-L483 HydrophobicContact CG-CG 4.38Å; K479-L483 WeakPolarHBondContact O-CG 3.47Å; K479-L483 PolarHBondContact O-N 2.88Å; R481-L483 VanDerWaalsContact C-N 3.34Å; R481-L483 PolarHBondContact O-N 2.97Å; L483-E485 VanDerWaalsContact C-N 3.27Å; L483-E485 PolarHBondContact O-N 3.41Å; L483-G486 PolarHBondContact O-N 2.98Å
484	A	94.3	Very high	92	Very high	88 Å²	88	89.5 Å²	89.5	73%	0.727	46%	0.46	S	S	*	.	H	α-helix	trans	-65	-29.9	174.5	0	0	0	0	0	113	D480 R481 G486	D480-A484 VanDerWaalsContact O-CB 3.29Å; D480-A484 WeakPolarHBondContact O-CB 3.41Å; D480-A484 PolarHBondContact O-N 2.8Å; R481-A484 PolarHBondContact O-N 3.14Å; A484-G486 PolarHBondContact O-N 3.25Å
485	E	94.3	Very high	91.9	Very high	91 Å²	91	91.3 Å²	91.3	43%	0.425	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.3	172.8	-68.8	175	-167.4	0	0	113	R481 C482 L483 K487	R481-E485 IonicContact CZ-OE1 2.74Å; R481-E485 IonicContact NE-OE1 3.37Å; R481-E485 PolarHBondContact NE-OE1 2.98Å; R481-E485 IonicContact NH2-OE1 3.96Å; R481-E485 WeakPolarHBondContact O-CG 3.3Å; R481-E485 PolarHBondContact O-N 3.42Å; C482-E485 CarbonylContact O-C 3.55Å; C482-E485 PolarHBondContact O-N 3.29Å; L483-E485 VanDerWaalsContact C-N 3.27Å; L483-E485 PolarHBondContact O-N 3.41Å; E485-K487 VanDerWaalsContact C-N 3.26Å; E485-K487 HydrophobicContact CB-CD 4.35Å; E485-K487 HydrophobicContact CB-CG 4.5Å; E485-K487 PolarHBondContact O-N 2.9Å; E485-K487 IonicContact OE2-NZ 2.72Å; E485-K487 PolarHBondContact OE2-NZ 3.48Å
486	G	91.2	Very high	91.8	Very high	73 Å²	73	98.3 Å²	98.3	75%	0.753	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	12.9	179.7	0	0	0	0	0	114.7	C482 L483 A484	C482-G486 PolarHBondContact O-N 2.91Å; L483-G486 PolarHBondContact O-N 2.98Å; A484-G486 PolarHBondContact O-N 3.25Å
487	K	91	Very high	91.7	Very high	116 Å²	116	95.8 Å²	95.8	50%	0.504	48%	0.483	S	S	.	.			trans	-87.9	152.4	179.1	-68.1	169.5	-176.1	162.7	0	110.6	C482 E485	C482-K487 WeakPolarHBondContact O-CB 3.31Å; C482-K487 PolarHBondContact O-N 2.83Å; C482-K487 WeakPolarHBondContact SG-CB 3.4Å; E485-K487 VanDerWaalsContact C-N 3.26Å; E485-K487 HydrophobicContact CB-CD 4.35Å; E485-K487 HydrophobicContact CB-CG 4.5Å; E485-K487 PolarHBondContact O-N 2.9Å; E485-K487 IonicContact OE2-NZ 2.72Å; E485-K487 PolarHBondContact OE2-NZ 3.48Å
488	Q	86.6	Confident	91.7	Very high	177 Å²	177	95 Å²	95	83%	0.827	47%	0.474	S	S	*	.			trans	-75.4	149.6	173.1	-67.8	-172.8	-10	0	0	110.4	C482	C482-Q488 PolarHBondContact SG-O 3.12Å
489	W	89.3	Confident	91.8	Very high	45 Å²	45	93 Å²	93	17%	0.17	47%	0.466	C	S	.	.			trans	-121.7	119	173.9	-176	-93.6	0	0	0	109.1	K478 K479 C482 E493 D494 I497	K478-W489 HydrophobicContact CB-CH2 3.9Å; K478-W489 HydrophobicContact CB-CZ3 4.32Å; K478-W489 HydrophobicContact CD-CH2 4.36Å; K478-W489 HydrophobicContact CG-CH2 3.83Å; K478-W489 HydrophobicContact CG-CZ3 3.85Å; K479-W489 HydrophobicContact CB-CD2 3.86Å; K479-W489 HydrophobicContact CB-CE3 4.31Å; K479-W489 HydrophobicContact CB-CG 4.21Å; K479-W489 HydrophobicContact CB-CH2 4.2Å; K479-W489 HydrophobicContact CB-CZ2 3.87Å; K479-W489 HydrophobicContact CB-CZ3 4.47Å; K479-W489 HydrophobicContact CD-CG 4.27Å; K479-W489 HydrophobicContact CG-CB 4.27Å; K479-W489 HydrophobicContact CG-CD2 3.95Å; K479-W489 HydrophobicContact CG-CG 3.75Å; C482-W489 HydrophobicContact CB-CE3 3.75Å; C482-W489 HydrophobicContact CB-CZ3 4.13Å; W489-E493 WeakPolarHBondContact CA-OE2 3.45Å; W489-E493 HydrophobicContact CD2-CB 4.48Å; W489-E493 HydrophobicContact CE3-CB 4.37Å; W489-E493 HydrophobicContact CZ3-CB 4.49Å; W489-D494 HydrophobicContact CZ2-CB 4.22Å; W489-I497 HydrophobicContact CH2-CD1 3.17Å; W489-I497 HydrophobicContact CZ2-CD1 3.77Å; W489-I497 HydrophobicContact CZ3-CD1 4.04Å
490	N	90	Very high	91.9	Very high	79 Å²	79	92.4 Å²	92.4	42%	0.422	47%	0.471	S	S	.	.			trans	-110.3	167.6	178.3	67.8	50.7	0	0	0	112.5	N492 E493 D494	N490-N492 PolarHBondContact O-N 3.25Å; N490-N492 WeakPolarHBondContact OD1-CA 3.45Å; N490-N492 WeakPolarHBondContact OD1-CB 3.38Å; N490-N492 PolarHBondContact OD1-N 3.31Å; N490-E493 PolarHBondContact N-OE2 3.43Å; N490-E493 PolarHBondContact O-N 3.24Å; N490-E493 WeakPolarHBondContact OD1-CG 3.41Å; N490-E493 PolarHBondContact OD1-N 3.07Å; N490-D494 PolarHBondContact O-N 2.78Å
491	E	90	Very high	91.9	Very high	174 Å²	174	88.6 Å²	88.6	81%	0.813	45%	0.45	S	S	*	.	H	α-helix	trans	-63.6	-29.7	-180	-65.1	-177.9	171.3	0	0	113	D494 K495	E491-D494 PolarHBondContact O-N 2.96Å; E491-K495 WeakPolarHBondContact O-CB 3.44Å; E491-K495 PolarHBondContact O-N 3.16Å
492	N	90.9	Very high	91.9	Very high	112 Å²	112	82.4 Å²	82.4	60%	0.599	43%	0.433	S	S	*	.	H	α-helix	trans	-68.5	-40.6	177.7	-74.6	-28	0	0	0	111.4	N490 K495 Q496	N490-N492 PolarHBondContact O-N 3.25Å; N490-N492 WeakPolarHBondContact OD1-CA 3.45Å; N490-N492 WeakPolarHBondContact OD1-CB 3.38Å; N490-N492 PolarHBondContact OD1-N 3.31Å; N492-K495 PolarHBondContact O-N 3.33Å; N492-Q496 WeakPolarHBondContact O-CB 3.38Å; N492-Q496 VanDerWaalsContact O-CG 3.27Å; N492-Q496 WeakPolarHBondContact O-CG 3.49Å; N492-Q496 PolarHBondContact O-N 3.06Å
493	E	87.7	Confident	92	Very high	65 Å²	65	89.4 Å²	89.4	30%	0.304	46%	0.457	S	S	.	.	H	α-helix	trans	-63.5	-42.8	174.5	-70.5	173.1	136.2	0	0	111.2	W489 N490 K495 Q496 I497	W489-E493 WeakPolarHBondContact CA-OE2 3.45Å; W489-E493 HydrophobicContact CD2-CB 4.48Å; W489-E493 HydrophobicContact CE3-CB 4.37Å; W489-E493 HydrophobicContact CZ3-CB 4.49Å; N490-E493 PolarHBondContact N-OE2 3.43Å; N490-E493 PolarHBondContact O-N 3.24Å; N490-E493 WeakPolarHBondContact OD1-CG 3.41Å; N490-E493 PolarHBondContact OD1-N 3.07Å; E493-K495 PolarHBondContact O-N 2.77Å; E493-Q496 PolarHBondContact O-N 3.12Å; E493-I497 VanDerWaalsContact O-CD1 3.26Å; E493-I497 WeakPolarHBondContact O-CD1 3.41Å; E493-I497 WeakPolarHBondContact O-CG1 3.35Å; E493-I497 PolarHBondContact O-N 2.56Å
494	D	91	Very high	92.2	Very high	26 Å²	26	89.6 Å²	89.6	14%	0.139	46%	0.455	C	S	.	.	H	α-helix	trans	-58	-49	174.8	-172.7	83.5	0	0	0	111.1	W489 N490 E491 Q496 I497 R498	W489-D494 HydrophobicContact CZ2-CB 4.22Å; N490-D494 PolarHBondContact O-N 2.78Å; E491-D494 PolarHBondContact O-N 2.96Å; D494-Q496 PolarHBondContact O-N 3.11Å; D494-I497 PolarHBondContact O-N 3.45Å; D494-R498 VanDerWaalsContact CG-CZ 3.5Å; D494-R498 VanDerWaalsContact CG-NE 3.32Å; D494-R498 WeakPolarHBondContact O-CB 3.36Å; D494-R498 WeakPolarHBondContact O-CG 3.2Å; D494-R498 PolarHBondContact O-N 3.48Å; D494-R498 IonicContact OD1-CZ 3.36Å; D494-R498 VanDerWaalsContact OD1-CZ 3.23Å; D494-R498 IonicContact OD1-NE 3.13Å; D494-R498 PolarHBondContact OD1-NE 3.44Å; D494-R498 VanDerWaalsContact OD1-NE 3.1Å; D494-R498 IonicContact OD1-NH2 2.75Å; D494-R498 PolarHBondContact OD1-NH2 3.03Å; D494-R498 WeakPolarHBondContact OD2-CD 3.05Å; D494-R498 IonicContact OD2-CZ 2.9Å; D494-R498 IonicContact OD2-NE 3.01Å; D494-R498 PolarHBondContact OD2-NE 3.49Å; D494-R498 IonicContact OD2-NH1 2.87Å; D494-R498 PolarHBondContact OD2-NH1 3.49Å; D494-R498 IonicContact OD2-NH2 3.14Å; D494-R498 PolarHBondContact OD2-NH2 3.44Å
495	K	92.2	Very high	92.3	Very high	118 Å²	118	87 Å²	87	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-62.4	-43.6	178.7	-171.6	175.5	178.9	179.7	0	112.7	E491 N492 E493 I497 R498 E499	E491-K495 WeakPolarHBondContact O-CB 3.44Å; E491-K495 PolarHBondContact O-N 3.16Å; N492-K495 PolarHBondContact O-N 3.33Å; E493-K495 PolarHBondContact O-N 2.77Å; K495-I497 PolarHBondContact O-N 2.77Å; K495-R498 PolarHBondContact O-N 2.72Å; K495-E499 WeakPolarHBondContact CE-OE1 3.29Å; K495-E499 HydrophobicContact CG-CG 4Å; K495-E499 WeakPolarHBondContact CG-OE1 3.39Å; K495-E499 IonicContact NZ-OE1 3.61Å; K495-E499 WeakPolarHBondContact O-CB 3.2Å; K495-E499 WeakPolarHBondContact O-CG 3.19Å; K495-E499 PolarHBondContact O-N 3.19Å
496	Q	92.4	Very high	92.2	Very high	148 Å²	148	87.3 Å²	87.3	69%	0.692	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-23.6	178	-78.3	179.5	4.4	0	0	113.3	N492 E493 D494 P500	N492-Q496 WeakPolarHBondContact O-CB 3.38Å; N492-Q496 VanDerWaalsContact O-CG 3.27Å; N492-Q496 WeakPolarHBondContact O-CG 3.49Å; N492-Q496 PolarHBondContact O-N 3.06Å; E493-Q496 PolarHBondContact O-N 3.12Å; D494-Q496 PolarHBondContact O-N 3.11Å; Q496-P500 WeakPolarHBondContact O-CD 3.38Å; Q496-P500 WeakPolarHBondContact O-CG 3.4Å
497	I	91	Very high	92.4	Very high	19 Å²	19	87.3 Å²	87.3	10%	0.097	42%	0.418	C	S	.	.	H	α-helix	trans	-90.3	-47.9	175.5	-64.2	155.9	0	0	0	110.6	A475 K478 W489 E493 D494 K495 E499 P500 I501	A475-I497 HydrophobicContact CB-CG2 4.29Å; K478-I497 HydrophobicContact CB-CD1 4.34Å; K478-I497 HydrophobicContact CD-CD1 3.48Å; K478-I497 VanDerWaalsContact CD-CD1 3.48Å; K478-I497 HydrophobicContact CD-CG1 4.15Å; K478-I497 HydrophobicContact CG-CD1 4.12Å; W489-I497 HydrophobicContact CH2-CD1 3.17Å; W489-I497 HydrophobicContact CZ2-CD1 3.77Å; W489-I497 HydrophobicContact CZ3-CD1 4.04Å; E493-I497 VanDerWaalsContact O-CD1 3.26Å; E493-I497 WeakPolarHBondContact O-CD1 3.41Å; E493-I497 WeakPolarHBondContact O-CG1 3.35Å; E493-I497 PolarHBondContact O-N 2.56Å; D494-I497 PolarHBondContact O-N 3.45Å; K495-I497 PolarHBondContact O-N 2.77Å; I497-E499 PolarHBondContact O-N 2.81Å; I497-P500 WeakPolarHBondContact O-CD 3.39Å; I497-P500 WeakPolarHBondContact O-CG 3.25Å; I497-I501 HydrophobicContact CG2-CD1 3.67Å; I497-I501 VanDerWaalsContact O-CD1 3.26Å; I497-I501 WeakPolarHBondContact O-CD1 3.46Å; I497-I501 WeakPolarHBondContact O-CG1 3.45Å
498	R	94.2	Very high	92.7	Very high	89 Å²	89	84.9 Å²	84.9	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-40.3	-172.2	-72.3	-172.7	-175.6	178.2	8	113.2	A471 A475 D494 K495 S502	A471-R498 HydrophobicContact CB-CB 3.98Å; A471-R498 HydrophobicContact CB-CG 4.11Å; A471-R498 WeakPolarHBondContact CB-O 3.21Å; A475-R498 HydrophobicContact CB-CG 3.68Å; D494-R498 VanDerWaalsContact CG-CZ 3.5Å; D494-R498 VanDerWaalsContact CG-NE 3.32Å; D494-R498 WeakPolarHBondContact O-CB 3.36Å; D494-R498 WeakPolarHBondContact O-CG 3.2Å; D494-R498 PolarHBondContact O-N 3.48Å; D494-R498 IonicContact OD1-CZ 3.36Å; D494-R498 VanDerWaalsContact OD1-CZ 3.23Å; D494-R498 IonicContact OD1-NE 3.13Å; D494-R498 PolarHBondContact OD1-NE 3.44Å; D494-R498 VanDerWaalsContact OD1-NE 3.1Å; D494-R498 IonicContact OD1-NH2 2.75Å; D494-R498 PolarHBondContact OD1-NH2 3.03Å; D494-R498 WeakPolarHBondContact OD2-CD 3.05Å; D494-R498 IonicContact OD2-CZ 2.9Å; D494-R498 IonicContact OD2-NE 3.01Å; D494-R498 PolarHBondContact OD2-NE 3.49Å; D494-R498 IonicContact OD2-NH1 2.87Å; D494-R498 PolarHBondContact OD2-NH1 3.49Å; D494-R498 IonicContact OD2-NH2 3.14Å; D494-R498 PolarHBondContact OD2-NH2 3.44Å; K495-R498 PolarHBondContact O-N 2.72Å; R498-S502 WeakPolarHBondContact O-CB 3.33Å; R498-S502 PolarHBondContact O-N 3.28Å; R498-S502 PolarHBondContact O-OG 2.89Å
499	E	93.7	Very high	93.2	Very high	71 Å²	71	76.5 Å²	76.5	33%	0.332	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-54	-176.8	-73	-168.8	176	0	0	114.4	K495 I497 I501 S502 R503	K495-E499 WeakPolarHBondContact CE-OE1 3.29Å; K495-E499 HydrophobicContact CG-CG 4Å; K495-E499 WeakPolarHBondContact CG-OE1 3.39Å; K495-E499 IonicContact NZ-OE1 3.61Å; K495-E499 WeakPolarHBondContact O-CB 3.2Å; K495-E499 WeakPolarHBondContact O-CG 3.19Å; K495-E499 PolarHBondContact O-N 3.19Å; I497-E499 PolarHBondContact O-N 2.81Å; E499-I501 VanDerWaalsContact C-N 3.28Å; E499-I501 PolarHBondContact O-N 2.79Å; E499-S502 PolarHBondContact O-N 2.67Å; E499-R503 WeakPolarHBondContact O-CG 3.45Å; E499-R503 PolarHBondContact O-N 3.11Å; E499-R503 IonicContact OE2-CZ 2.92Å; E499-R503 IonicContact OE2-NH2 2.97Å; E499-R503 PolarHBondContact OE2-NH2 2.98Å
500	P	95.4	Very high	93.5	Very high	70 Å²	70	77.3 Å²	77.3	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-38.5	-179.7	22.7	-33.3	0	0	0	111.9	Q496 I497 R503 Q504	Q496-P500 WeakPolarHBondContact O-CD 3.38Å; Q496-P500 WeakPolarHBondContact O-CG 3.4Å; I497-P500 WeakPolarHBondContact O-CD 3.39Å; I497-P500 WeakPolarHBondContact O-CG 3.25Å; P500-R503 PolarHBondContact O-N 2.77Å; P500-Q504 WeakPolarHBondContact O-CB 3.41Å; P500-Q504 PolarHBondContact O-N 2.92Å
501	I	94.7	Very high	93.9	Very high	23 Å²	23	73.6 Å²	73.6	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-46.9	177.2	-64.2	165.7	0	0	0	110.7	A470 A471 L474 I497 E499 R503 Q504 F505	A470-I501 HydrophobicContact CB-CG2 4.12Å; A471-I501 HydrophobicContact CB-CB 4.23Å; A471-I501 HydrophobicContact CB-CG2 4.07Å; L474-I501 HydrophobicContact CB-CD1 3.7Å; L474-I501 HydrophobicContact CD1-CD1 3.59Å; L474-I501 HydrophobicContact CD1-CG1 4.24Å; L474-I501 HydrophobicContact CD1-CG2 4.12Å; L474-I501 HydrophobicContact CG-CD1 4.29Å; I497-I501 HydrophobicContact CG2-CD1 3.67Å; I497-I501 VanDerWaalsContact O-CD1 3.26Å; I497-I501 WeakPolarHBondContact O-CD1 3.46Å; I497-I501 WeakPolarHBondContact O-CG1 3.45Å; E499-I501 VanDerWaalsContact C-N 3.28Å; E499-I501 PolarHBondContact O-N 2.79Å; I501-R503 VanDerWaalsContact C-N 3.32Å; I501-R503 PolarHBondContact O-N 3.34Å; I501-Q504 PolarHBondContact O-N 3.13Å; I501-F505 HydrophobicContact CG2-CD2 3.91Å; I501-F505 HydrophobicContact CG2-CE2 3.92Å; I501-F505 VanDerWaalsContact O-CD2 3.28Å; I501-F505 WeakPolarHBondContact O-CD2 3.37Å; I501-F505 PolarHBondContact O-N 2.95Å
502	S	94.4	Very high	94.3	Very high	40 Å²	40	66.9 Å²	66.9	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-42.4	179.3	-59.9	0	0	0	0	111.5	A471 R498 E499 E506	A471-S502 VanDerWaalsContact CB-OG 3.26Å; A471-S502 WeakPolarHBondContact CB-OG 3.36Å; R498-S502 WeakPolarHBondContact O-CB 3.33Å; R498-S502 PolarHBondContact O-N 3.28Å; R498-S502 PolarHBondContact O-OG 2.89Å; E499-S502 PolarHBondContact O-N 2.67Å; S502-E506 VanDerWaalsContact O-CB 3.29Å; S502-E506 WeakPolarHBondContact O-CB 3.31Å; S502-E506 PolarHBondContact O-N 3.06Å
503	R	95	Very high	94.6	Very high	163 Å²	163	64.3 Å²	64.3	62%	0.615	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-42.1	176.7	-67.8	-179.4	-145.3	169.3	5.5	112.1	E499 P500 I501 E506 S507	E499-R503 WeakPolarHBondContact O-CG 3.45Å; E499-R503 PolarHBondContact O-N 3.11Å; E499-R503 IonicContact OE2-CZ 2.92Å; E499-R503 IonicContact OE2-NH2 2.97Å; E499-R503 PolarHBondContact OE2-NH2 2.98Å; P500-R503 PolarHBondContact O-N 2.77Å; I501-R503 VanDerWaalsContact C-N 3.32Å; I501-R503 PolarHBondContact O-N 3.34Å; R503-E506 PolarHBondContact O-N 2.94Å; R503-S507 WeakPolarHBondContact O-CB 3.48Å; R503-S507 PolarHBondContact O-N 3.02Å
504	Q	96.4	Very high	95.1	Very high	94 Å²	94	61.3 Å²	61.3	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-58.5	-52.4	176.1	-179.3	-176.3	-4.4	0	0	110.6	P500 I501 E506 S507 E508	P500-Q504 WeakPolarHBondContact O-CB 3.41Å; P500-Q504 PolarHBondContact O-N 2.92Å; I501-Q504 PolarHBondContact O-N 3.13Å; Q504-E506 VanDerWaalsContact C-N 3.3Å; Q504-E506 PolarHBondContact O-N 3.2Å; Q504-S507 PolarHBondContact O-N 2.99Å; Q504-E508 HydrophobicContact CG-CG 4.21Å; Q504-E508 VanDerWaalsContact CG-OE1 3.25Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.27Å; Q504-E508 PolarHBondContact NE2-OE1 3.01Å; Q504-E508 WeakPolarHBondContact O-CB 3.41Å; Q504-E508 WeakPolarHBondContact O-CG 3.35Å; Q504-E508 PolarHBondContact O-N 3.34Å
505	F	95.9	Very high	95.5	Very high	34 Å²	34	60 Å²	60	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-33.5	-179.1	-85.5	-114.4	0	0	0	112.9	S463 V464 M465 G467 A470 I501 G509	S463-F505 WeakPolarHBondContact OG-CD1 3.18Å; V464-F505 HydrophobicContact CG1-CE1 3.76Å; V464-F505 HydrophobicContact CG1-CZ 4.29Å; M465-F505 HydrophobicContact CG-CE1 4.11Å; G467-F505 VanDerWaalsContact CA-CB 3.42Å; A470-F505 HydrophobicContact CB-CD1 3.81Å; A470-F505 HydrophobicContact CB-CD2 4.17Å; A470-F505 HydrophobicContact CB-CE1 3.42Å; A470-F505 VanDerWaalsContact CB-CE1 3.42Å; A470-F505 HydrophobicContact CB-CE2 3.82Å; A470-F505 HydrophobicContact CB-CG 4.17Å; A470-F505 HydrophobicContact CB-CZ 3.42Å; A470-F505 VanDerWaalsContact CB-CZ 3.42Å; I501-F505 HydrophobicContact CG2-CD2 3.91Å; I501-F505 HydrophobicContact CG2-CE2 3.92Å; I501-F505 VanDerWaalsContact O-CD2 3.28Å; I501-F505 WeakPolarHBondContact O-CD2 3.37Å; I501-F505 PolarHBondContact O-N 2.95Å; F505-G509 WeakPolarHBondContact O-CA 3.46Å; F505-G509 PolarHBondContact O-N 3.09Å
506	E	93.2	Very high	95.8	Very high	97 Å²	97	54.5 Å²	54.5	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-42.5	174.7	-177.8	61.6	-164.4	0	0	111.6	K461 S502 R503 Q504	K461-E506 VanDerWaalsContact CE-OE1 3.3Å; K461-E506 WeakPolarHBondContact CE-OE1 3.5Å; K461-E506 IonicContact NZ-OE1 3.38Å; K461-E506 PolarHBondContact NZ-OE1 2.85Å; K461-E506 IonicContact NZ-OE2 3.83Å; K461-E506 PolarHBondContact NZ-OE2 3.44Å; S502-E506 VanDerWaalsContact O-CB 3.29Å; S502-E506 WeakPolarHBondContact O-CB 3.31Å; S502-E506 PolarHBondContact O-N 3.06Å; R503-E506 PolarHBondContact O-N 2.94Å; Q504-E506 VanDerWaalsContact C-N 3.3Å; Q504-E506 PolarHBondContact O-N 3.2Å
507	S	95.5	Very high	96.1	Very high	74 Å²	74	49.8 Å²	49.8	52%	0.517	24%	0.239	S	C	.	.	H	α-helix	trans	-70	-50.4	177.5	-179.7	0	0	0	0	112.2	R503 Q504 G509 H510 Y513	R503-S507 WeakPolarHBondContact O-CB 3.48Å; R503-S507 PolarHBondContact O-N 3.02Å; Q504-S507 PolarHBondContact O-N 2.99Å; S507-G509 VanDerWaalsContact C-N 3.25Å; S507-G509 PolarHBondContact O-N 3.36Å; S507-H510 WeakPolarHBondContact O-CB 3.5Å; S507-H510 PolarHBondContact O-N 3.41Å; S507-Y513 WeakPolarHBondContact O-CB 3.42Å
508	E	97	Very high	96.4	Very high	64 Å²	64	49 Å²	49	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-69.5	-25.1	-178.8	-65.6	-179.9	-179.5	0	0	112.6	Q504 Y513	Q504-E508 HydrophobicContact CG-CG 4.21Å; Q504-E508 VanDerWaalsContact CG-OE1 3.25Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.27Å; Q504-E508 PolarHBondContact NE2-OE1 3.01Å; Q504-E508 WeakPolarHBondContact O-CB 3.41Å; Q504-E508 WeakPolarHBondContact O-CG 3.35Å; Q504-E508 PolarHBondContact O-N 3.34Å; E508-Y513 HydrophobicContact CB-CD1 4.31Å; E508-Y513 HydrophobicContact CB-CE1 4.05Å; E508-Y513 HydrophobicContact CB-CE2 4.33Å; E508-Y513 HydrophobicContact CG-CE1 4.2Å; E508-Y513 HydrophobicContact CG-CE2 3.85Å; E508-Y513 WeakPolarHBondContact O-CD1 3.19Å
509	G	96.8	Very high	96.7	Very high	2 Å²	2	49 Å²	49	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.7	178	0	0	0	0	0	114.8	K461 I462 F505 S507	K461-G509 CarbonylContact C-O 3.57Å; K461-G509 WeakPolarHBondContact CA-O 3.3Å; K461-G509 WeakPolarHBondContact CB-O 3.41Å; I462-G509 PolarHBondContact N-O 2.98Å; I462-G509 VanDerWaalsContact O-CA 3.26Å; I462-G509 WeakPolarHBondContact O-CA 3.46Å; F505-G509 WeakPolarHBondContact O-CA 3.46Å; F505-G509 PolarHBondContact O-N 3.09Å; S507-G509 VanDerWaalsContact C-N 3.25Å; S507-G509 PolarHBondContact O-N 3.36Å
510	H	96.8	Very high	96.9	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.287	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-68.4	142.5	-174.2	-166.3	-87	0	0	0	112.3	S507 L512 Y513 A514	S507-H510 WeakPolarHBondContact O-CB 3.5Å; S507-H510 PolarHBondContact O-N 3.41Å; H510-L512 WeakPolarHBondContact ND1-CB 3.31Å; H510-L512 PolarHBondContact ND1-N 2.97Å; H510-L512 VanDerWaalsContact ND1-N 3.19Å; H510-L512 PolarHBondContact O-N 3.1Å; H510-L512 VanDerWaalsContact O-N 3.15Å; H510-Y513 WeakPolarHBondContact O-CB 3.4Å; H510-Y513 PolarHBondContact O-N 2.75Å; H510-A514 PolarHBondContact O-N 3.27Å; H510-A514 VanDerWaalsContact O-N 3.16Å
511	A	98	Very high	97.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-52	-40.3	179.9	0	0	0	0	0	113.3	T456 Y513 A514 T515 V523	T456-A511 HydrophobicContact CG2-CB 3.88Å; A511-Y513 PolarHBondContact O-N 2.95Å; A511-A514 PolarHBondContact O-N 3.01Å; A511-T515 WeakPolarHBondContact O-CB 3.39Å; A511-T515 WeakPolarHBondContact O-CG2 3.45Å; A511-T515 PolarHBondContact O-N 3.34Å; A511-V523 HydrophobicContact CB-CG2 4.16Å
512	L	97.6	Very high	97.2	Very high	33 Å²	33	41.5 Å²	41.5	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-36.3	175.8	-66	178.8	0	0	0	113.5	V46 L49 L93 H510 A516	V46-L512 HydrophobicContact CG2-CD2 4.2Å; L49-L512 HydrophobicContact CD2-CD1 4.41Å; L49-L512 HydrophobicContact CD2-CD2 3.92Å; L93-L512 HydrophobicContact CD1-CD2 3.58Å; H510-L512 WeakPolarHBondContact ND1-CB 3.31Å; H510-L512 PolarHBondContact ND1-N 2.97Å; H510-L512 VanDerWaalsContact ND1-N 3.19Å; H510-L512 PolarHBondContact O-N 3.1Å; H510-L512 VanDerWaalsContact O-N 3.15Å; L512-A516 WeakPolarHBondContact O-CB 3.46Å; L512-A516 PolarHBondContact O-N 3.31Å; L512-A516 VanDerWaalsContact O-N 3.16Å
513	Y	98.1	Very high	97.4	Very high	58 Å²	58	40.4 Å²	40.4	23%	0.227	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-42.6	177.2	-174.1	-81.2	0	0	0	111	S507 E508 H510 A511 R517 W519	S507-Y513 WeakPolarHBondContact O-CB 3.42Å; E508-Y513 HydrophobicContact CB-CD1 4.31Å; E508-Y513 HydrophobicContact CB-CE1 4.05Å; E508-Y513 HydrophobicContact CB-CE2 4.33Å; E508-Y513 HydrophobicContact CG-CE1 4.2Å; E508-Y513 HydrophobicContact CG-CE2 3.85Å; E508-Y513 WeakPolarHBondContact O-CD1 3.19Å; H510-Y513 WeakPolarHBondContact O-CB 3.4Å; H510-Y513 PolarHBondContact O-N 2.75Å; A511-Y513 PolarHBondContact O-N 2.95Å; Y513-R517 VanDerWaalsContact CZ-NH2 3.27Å; Y513-R517 PolarHBondContact O-NH1 2.97Å; Y513-R517 PolarHBondContact OH-NE 3.31Å; Y513-R517 PolarHBondContact OH-NH2 3.33Å; Y513-W519 AromaticContact CD1-CH2 3.94Å; Y513-W519 HydrophobicContact CD1-CH2 3.94Å; Y513-W519 HydrophobicContact CD1-CZ3 4.2Å; Y513-W519 AromaticContact CE1-CH2 3.74Å; Y513-W519 HydrophobicContact CE1-CH2 3.74Å; Y513-W519 HydrophobicContact CE1-CZ2 4.15Å; Y513-W519 HydrophobicContact CE1-CZ3 4.45Å
514	A	98.3	Very high	97.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-50.6	179.5	0	0	0	0	0	112.5	I462 H510 A511 A516 R517 L518 W519	I462-A514 HydrophobicContact CG2-CB 3.54Å; H510-A514 PolarHBondContact O-N 3.27Å; H510-A514 VanDerWaalsContact O-N 3.16Å; A511-A514 PolarHBondContact O-N 3.01Å; A514-A516 VanDerWaalsContact C-N 3.33Å; A514-A516 PolarHBondContact O-N 3.08Å; A514-R517 CarbonylContact O-C 3.55Å; A514-R517 PolarHBondContact O-N 3.5Å; A514-L518 PolarHBondContact O-N 3.22Å; A514-W519 HydrophobicContact CB-CB 4.13Å; A514-W519 HydrophobicContact CB-CD2 4.13Å; A514-W519 HydrophobicContact CB-CE3 3.47Å; A514-W519 VanDerWaalsContact CB-CE3 3.47Å; A514-W519 HydrophobicContact CB-CG 4.44Å; A514-W519 HydrophobicContact CB-CZ3 4.19Å; A514-W519 PolarHBondContact O-N 3.01Å; A514-W519 VanDerWaalsContact O-N 3.09Å
515	T	98.6	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-35	-178.3	-160.2	0	0	0	0	112	L93 A511 R517 L518 D520 V523	L93-T515 HydrophobicContact CB-CG2 3.7Å; L93-T515 HydrophobicContact CD1-CG2 4.06Å; A511-T515 WeakPolarHBondContact O-CB 3.39Å; A511-T515 WeakPolarHBondContact O-CG2 3.45Å; A511-T515 PolarHBondContact O-N 3.34Å; T515-R517 PolarHBondContact O-N 2.75Å; T515-R517 VanDerWaalsContact O-N 3.11Å; T515-L518 PolarHBondContact O-N 2.85Å; T515-D520 WeakPolarHBondContact CA-OD1 3.48Å; T515-D520 WeakPolarHBondContact CA-OD2 3.36Å; T515-D520 WeakPolarHBondContact CB-OD1 3.41Å; T515-D520 PolarHBondContact N-OD2 3.49Å; T515-D520 PolarHBondContact OG1-OD1 3.18Å; T515-V523 HydrophobicContact CG2-CG2 3.74Å
516	A	98.5	Very high	97.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-26.8	174	0	0	0	0	0	112.8	L93 G95 H96 I138 L512 A514	L93-A516 WeakPolarHBondContact O-CA 3.06Å; G95-A516 PolarHBondContact N-O 2.92Å; H96-A516 HydrophobicContact CB-CB 4.07Å; H96-A516 VanDerWaalsContact O-CB 3.23Å; H96-A516 WeakPolarHBondContact O-CB 3.38Å; I138-A516 WeakPolarHBondContact CD1-O 3.33Å; L512-A516 WeakPolarHBondContact O-CB 3.46Å; L512-A516 PolarHBondContact O-N 3.31Å; L512-A516 VanDerWaalsContact O-N 3.16Å; A514-A516 VanDerWaalsContact C-N 3.33Å; A514-A516 PolarHBondContact O-N 3.08Å
517	R	98.6	Very high	98	Very high	50 Å²	50	25 Å²	25	19%	0.189	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	8.3	-179.5	-70.1	165.8	-179.4	68.4	4.1	113.3	L98 K141 Y513 A514 T515 W519	L98-R517 HydrophobicContact CD1-CG 3.94Å; K141-R517 PolarHBondContact NZ-O 2.72Å; Y513-R517 VanDerWaalsContact CZ-NH2 3.27Å; Y513-R517 PolarHBondContact O-NH1 2.97Å; Y513-R517 PolarHBondContact OH-NE 3.31Å; Y513-R517 PolarHBondContact OH-NH2 3.33Å; A514-R517 CarbonylContact O-C 3.55Å; A514-R517 PolarHBondContact O-N 3.5Å; T515-R517 PolarHBondContact O-N 2.75Å; T515-R517 VanDerWaalsContact O-N 3.11Å; R517-W519 VanDerWaalsContact C-N 3.31Å; R517-W519 PolarHBondContact O-N 3.16Å
518	L	98.7	Very high	98.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	36.2	-179.3	-82.7	75.4	0	0	0	114.2	A94 I138 K141 K142 R145 R447 A514 T515 D520	A94-L518 HydrophobicContact CB-CD1 3.47Å; A94-L518 VanDerWaalsContact CB-CD1 3.47Å; I138-L518 HydrophobicContact CD1-CD1 3.61Å; I138-L518 HydrophobicContact CG1-CD1 3.94Å; K141-L518 HydrophobicContact CD-CB 4.21Å; K141-L518 HydrophobicContact CG-CD2 4.29Å; K142-L518 HydrophobicContact CB-CD1 4.41Å; K142-L518 HydrophobicContact CB-CD2 3.63Å; K142-L518 HydrophobicContact CG-CD2 4.08Å; R145-L518 HydrophobicContact CB-CD2 4.18Å; R447-L518 PolarHBondContact NE-O 3Å; R447-L518 PolarHBondContact NH2-O 3.02Å; A514-L518 PolarHBondContact O-N 3.22Å; T515-L518 PolarHBondContact O-N 2.85Å; L518-D520 CarbonylContact C-O 3.5Å
519	W	98.7	Very high	98.2	Very high	88 Å²	88	20.9 Å²	20.9	33%	0.333	10%	0.101	S	C	.	.	S	Bend	trans	-72.6	-21.6	167.3	-61	-6	0	0	0	111.6	R447 I462 Y513 A514 R517	R447-W519 WeakPolarHBondContact CD-O 3.24Å; I462-W519 HydrophobicContact CG2-CE3 3.81Å; I462-W519 HydrophobicContact CG2-CZ3 4.14Å; Y513-W519 AromaticContact CD1-CH2 3.94Å; Y513-W519 HydrophobicContact CD1-CH2 3.94Å; Y513-W519 HydrophobicContact CD1-CZ3 4.2Å; Y513-W519 AromaticContact CE1-CH2 3.74Å; Y513-W519 HydrophobicContact CE1-CH2 3.74Å; Y513-W519 HydrophobicContact CE1-CZ2 4.15Å; Y513-W519 HydrophobicContact CE1-CZ3 4.45Å; A514-W519 HydrophobicContact CB-CB 4.13Å; A514-W519 HydrophobicContact CB-CD2 4.13Å; A514-W519 HydrophobicContact CB-CE3 3.47Å; A514-W519 VanDerWaalsContact CB-CE3 3.47Å; A514-W519 HydrophobicContact CB-CG 4.44Å; A514-W519 HydrophobicContact CB-CZ3 4.19Å; A514-W519 PolarHBondContact O-N 3.01Å; A514-W519 VanDerWaalsContact O-N 3.09Å; R517-W519 VanDerWaalsContact C-N 3.31Å; R517-W519 PolarHBondContact O-N 3.16Å
520	D	98.8	Very high	98.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.104	C	C	.	.	S	Bend	trans	-127.6	168.6	169.1	57.4	73.4	0	0	0	111.1	S91 L454 T456 T515 L518 G522	S91-D520 PolarHBondContact OG-O 3.33Å; L454-D520 HydrophobicContact CD2-CB 3.4Å; T456-D520 VanDerWaalsContact OG1-CB 3.29Å; T456-D520 WeakPolarHBondContact OG1-CB 3.29Å; T456-D520 PolarHBondContact OG1-OD2 3.01Å; T515-D520 WeakPolarHBondContact CA-OD1 3.48Å; T515-D520 WeakPolarHBondContact CA-OD2 3.36Å; T515-D520 WeakPolarHBondContact CB-OD1 3.41Å; T515-D520 PolarHBondContact N-OD2 3.49Å; T515-D520 PolarHBondContact OG1-OD1 3.18Å; L518-D520 CarbonylContact C-O 3.5Å; D520-G522 VanDerWaalsContact C-N 3.3Å; D520-G522 VanDerWaalsContact OD1-C 3.27Å; D520-G522 VanDerWaalsContact OD1-CA 3.32Å; D520-G522 WeakPolarHBondContact OD1-CA 3.44Å; D520-G522 PolarHBondContact OD1-N 3.45Å
521	D	98.8	Very high	98.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	11%	0.113	C	C	.	.	S	Bend	trans	-90.7	6.7	175.4	-58.9	-43.5	0	0	0	111.8	L90 S91 R145 R447 F453 L454 F455	L90-D521 WeakPolarHBondContact CA-O 3.45Å; L90-D521 HydrophobicContact CD2-CB 4.24Å; S91-D521 PolarHBondContact N-O 2.79Å; R145-D521 IonicContact CZ-OD1 2.8Å; R145-D521 IonicContact CZ-OD2 3.74Å; R145-D521 IonicContact NE-OD1 3.1Å; R145-D521 PolarHBondContact NE-OD1 3.4Å; R145-D521 IonicContact NE-OD2 3.23Å; R145-D521 IonicContact NH2-OD1 3.1Å; R145-D521 IonicContact NH2-OD2 3.34Å; R145-D521 PolarHBondContact NH2-OD2 3.48Å; R447-D521 IonicContact CZ-OD1 2.7Å; R447-D521 VanDerWaalsContact CZ-OD1 3.29Å; R447-D521 IonicContact NH1-OD1 2.66Å; R447-D521 PolarHBondContact NH1-OD1 2.75Å; R447-D521 IonicContact NH1-OD2 3.63Å; R447-D521 PolarHBondContact NH1-OD2 3.21Å; R447-D521 IonicContact NH2-OD1 3.43Å; R447-D521 PolarHBondContact NH2-OD1 3.48Å; F453-D521 WeakPolarHBondContact CA-OD2 3.32Å; L454-D521 PolarHBondContact N-OD2 2.65Å; L454-D521 WeakPolarHBondContact O-CB 3.47Å; L454-D521 PolarHBondContact O-N 2.8Å; F455-D521 HydrophobicContact CD1-CB 4.38Å; F455-D521 HydrophobicContact CE1-CB 4.03Å
522	G	98.5	Very high	98.3	Very high	6 Å²	6	25.3 Å²	25.3	6%	0.062	12%	0.115	C	C	.	.			trans	148.1	147.6	174.8	0	0	0	0	0	113.7	T456 D520	T456-G522 PolarHBondContact N-O 3.21Å; T456-G522 VanDerWaalsContact N-O 3.12Å; D520-G522 VanDerWaalsContact C-N 3.3Å; D520-G522 VanDerWaalsContact OD1-C 3.27Å; D520-G522 VanDerWaalsContact OD1-CA 3.32Å; D520-G522 WeakPolarHBondContact OD1-CA 3.44Å; D520-G522 PolarHBondContact OD1-N 3.45Å
523	V	98.6	Very high	98.3	Very high	16 Å²	16	23.8 Å²	23.8	10%	0.097	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-84.1	126.2	164.6	-178.9	0	0	0	0	108.7	V46 T456 P458 A511 T515	V46-V523 HydrophobicContact CG1-CB 4.37Å; V46-V523 HydrophobicContact CG1-CG1 4.09Å; V46-V523 HydrophobicContact CG2-CG1 3.94Å; T456-V523 CarbonylContact O-C 3.56Å; T456-V523 VanDerWaalsContact O-CA 3.23Å; T456-V523 WeakPolarHBondContact O-CA 2.99Å; P458-V523 HydrophobicContact CB-CG1 4.3Å; P458-V523 HydrophobicContact CG-CG1 3.87Å; A511-V523 HydrophobicContact CB-CG2 4.16Å; T515-V523 HydrophobicContact CG2-CG2 3.74Å
524	I	98.4	Very high	98.2	Very high	19 Å²	19	21.4 Å²	21.4	10%	0.097	10%	0.101	C	C	.	.			trans	-118	151.6	-177.1	67.4	173.2	0	0	0	111.3	L431 F455 T456 P458 V532	L431-I524 HydrophobicContact CD1-CD1 3.75Å; L431-I524 HydrophobicContact CD1-CG1 4.21Å; F455-I524 HydrophobicContact CB-CD1 4Å; F455-I524 HydrophobicContact CB-CG1 4.27Å; F455-I524 HydrophobicContact CB-CG2 4.32Å; F455-I524 HydrophobicContact CD1-CG2 3.92Å; F455-I524 HydrophobicContact CG-CD1 4.41Å; F455-I524 HydrophobicContact CG-CG2 4.28Å; T456-I524 PolarHBondContact O-N 3.32Å; P458-I524 WeakPolarHBondContact CD-O 3.29Å; I524-V532 HydrophobicContact CD1-CB 4.06Å; I524-V532 HydrophobicContact CD1-CG1 4.05Å; I524-V532 HydrophobicContact CD1-CG2 4.3Å; I524-V532 HydrophobicContact CG2-CG1 4.29Å; I524-V532 HydrophobicContact CG2-CG2 4.22Å
525	D	98.3	Very high	98.1	Very high	23 Å²	23	23.1 Å²	23.1	12%	0.123	11%	0.109	C	C	.	.			trans	-62.8	131	168.9	-169.8	-36.4	0	0	0	109.5	V43 Q47 Y310 A527 D528 S529	V43-D525 HydrophobicContact CG1-CB 4.44Å; V43-D525 WeakPolarHBondContact CG1-OD2 3.41Å; Q47-D525 PolarHBondContact NE2-OD2 3.33Å; Y310-D525 WeakPolarHBondContact CE1-OD1 3.48Å; Y310-D525 PolarHBondContact OH-OD1 2.87Å; Y310-D525 PolarHBondContact OH-OD2 3.48Å; D525-A527 PolarHBondContact O-N 2.99Å; D525-A527 VanDerWaalsContact O-N 3.14Å; D525-A527 WeakPolarHBondContact OD1-CB 3.26Å; D525-A527 PolarHBondContact OD1-N 2.92Å; D525-D528 HydrophobicContact CB-CB 4.16Å; D525-D528 WeakPolarHBondContact O-CA 3.48Å; D525-D528 WeakPolarHBondContact O-CB 3.37Å; D525-D528 PolarHBondContact O-N 2.93Å; D525-S529 PolarHBondContact O-N 3.12Å
526	P	98.4	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-47.7	-38.1	172	-29.8	36.1	0	0	0	114	L39 L309 Y310 W457 D528 S529	L39-P526 HydrophobicContact CD2-CG 4.05Å; L39-P526 HydrophobicContact CG-CG 4.41Å; L309-P526 HydrophobicContact CB-CB 4.34Å; Y310-P526 HydrophobicContact CD1-CB 4.5Å; Y310-P526 HydrophobicContact CD1-CG 4.48Å; Y310-P526 HydrophobicContact CE1-CB 4.29Å; Y310-P526 HydrophobicContact CE1-CG 4.32Å; W457-P526 HydrophobicContact CB-CG 4.46Å; W457-P526 HydrophobicContact CD2-CB 3.91Å; W457-P526 HydrophobicContact CD2-CG 3.73Å; W457-P526 HydrophobicContact CE3-CB 4.09Å; W457-P526 HydrophobicContact CE3-CG 3.91Å; W457-P526 HydrophobicContact CG-CG 3.98Å; W457-P526 HydrophobicContact CH2-CB 4.03Å; W457-P526 HydrophobicContact CZ2-CB 3.83Å; W457-P526 HydrophobicContact CZ3-CB 4.12Å; W457-P526 HydrophobicContact CZ3-CG 4.38Å; P526-D528 PolarHBondContact O-N 2.97Å; P526-S529 VanDerWaalsContact O-CB 3.31Å; P526-S529 WeakPolarHBondContact O-CB 3.33Å; P526-S529 PolarHBondContact O-N 3.41Å; P526-S529 PolarHBondContact O-OG 3.2Å
527	A	97.8	Very high	97.9	Very high	22 Å²	22	23.1 Å²	23.1	18%	0.182	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-67.1	-23.7	177.6	0	0	0	0	0	113.6	V306 Y310 D525	V306-A527 HydrophobicContact CG1-CB 4.03Å; Y310-A527 HydrophobicContact CE2-CB 4.3Å; Y310-A527 VanDerWaalsContact OH-CB 3.26Å; Y310-A527 WeakPolarHBondContact OH-CB 3.43Å; D525-A527 PolarHBondContact O-N 2.99Å; D525-A527 VanDerWaalsContact O-N 3.14Å; D525-A527 WeakPolarHBondContact OD1-CB 3.26Å; D525-A527 PolarHBondContact OD1-N 2.92Å
528	D	97.6	Very high	97.7	Very high	53 Å²	53	21.6 Å²	21.6	28%	0.283	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-86.9	-4.9	177.9	-80.1	-39.2	0	0	0	113.5	D525 P526 R530 R531 V532	D525-D528 HydrophobicContact CB-CB 4.16Å; D525-D528 WeakPolarHBondContact O-CA 3.48Å; D525-D528 WeakPolarHBondContact O-CB 3.37Å; D525-D528 PolarHBondContact O-N 2.93Å; P526-D528 PolarHBondContact O-N 2.97Å; D528-R530 VanDerWaalsContact C-N 3.35Å; D528-R530 PolarHBondContact O-N 2.79Å; D528-R531 PolarHBondContact O-N 3.46Å; D528-R531 IonicContact OD1-CZ 2.67Å; D528-R531 IonicContact OD1-NE 3.53Å; D528-R531 PolarHBondContact OD1-NE 3.44Å; D528-R531 IonicContact OD1-NH2 2.89Å; D528-R531 PolarHBondContact OD1-NH2 2.94Å; D528-R531 IonicContact OD2-NH2 2.92Å; D528-R531 PolarHBondContact OD2-NH2 2.59Å; D528-R531 VanDerWaalsContact OD2-NH2 3.14Å; D528-V532 HydrophobicContact CB-CG2 4.19Å; D528-V532 WeakPolarHBondContact O-CG2 3.16Å; D528-V532 PolarHBondContact O-N 3.33Å
529	S	98.5	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-52.4	-48.7	-173.2	-59.4	0	0	0	0	112.9	W457 D525 P526 R531 L533	W457-S529 WeakPolarHBondContact CZ2-OG 3.32Å; W457-S529 PolarHBondContact NE1-OG 3.12Å; D525-S529 PolarHBondContact O-N 3.12Å; P526-S529 VanDerWaalsContact O-CB 3.31Å; P526-S529 WeakPolarHBondContact O-CB 3.33Å; P526-S529 PolarHBondContact O-N 3.41Å; P526-S529 PolarHBondContact O-OG 3.2Å; S529-R531 PolarHBondContact O-N 3.05Å; S529-L533 WeakPolarHBondContact O-CB 3.48Å; S529-L533 WeakPolarHBondContact O-CG 3.48Å; S529-L533 PolarHBondContact O-N 3.49Å
530	R	97.9	Very high	97.3	Very high	25 Å²	25	17.5 Å²	17.5	9%	0.094	9%	0.091	C	C	.	.	H	α-helix	trans	-58.9	-49.4	178.7	177.8	174	171	89.7	-3.2	111.1	I330 D332 L354 Y355 D528 G534	I330-R530 WeakPolarHBondContact O-CD 3.39Å; I330-R530 WeakPolarHBondContact O-CG 3.48Å; I330-R530 PolarHBondContact O-NH1 3.23Å; D332-R530 IonicContact OD1-CZ 2.79Å; D332-R530 IonicContact OD1-NH1 3.69Å; D332-R530 PolarHBondContact OD1-NH1 3.17Å; D332-R530 IonicContact OD1-NH2 3.69Å; D332-R530 PolarHBondContact OD1-NH2 2.7Å; L354-R530 HydrophobicContact CD1-CG 4.07Å; Y355-R530 HydrophobicContact CE2-CG 3.82Å; Y355-R530 WeakPolarHBondContact CE2-O 3.2Å; D528-R530 VanDerWaalsContact C-N 3.35Å; D528-R530 PolarHBondContact O-N 2.79Å; R530-G534 PolarHBondContact O-N 3.12Å
531	R	96.4	Very high	97	Very high	123 Å²	123	18.3 Å²	18.3	46%	0.464	10%	0.096	S	C	.	.	H	α-helix	trans	-63.3	-47.9	-177.3	-178	171.6	63.9	94.5	-4.5	111.6	D528 S529 G534 L535	D528-R531 PolarHBondContact O-N 3.46Å; D528-R531 IonicContact OD1-CZ 2.67Å; D528-R531 IonicContact OD1-NE 3.53Å; D528-R531 PolarHBondContact OD1-NE 3.44Å; D528-R531 IonicContact OD1-NH2 2.89Å; D528-R531 PolarHBondContact OD1-NH2 2.94Å; D528-R531 IonicContact OD2-NH2 2.92Å; D528-R531 PolarHBondContact OD2-NH2 2.59Å; D528-R531 VanDerWaalsContact OD2-NH2 3.14Å; S529-R531 PolarHBondContact O-N 3.05Å; R531-G534 PolarHBondContact O-N 3.46Å; R531-L535 WeakPolarHBondContact O-CG 3.5Å; R531-L535 PolarHBondContact O-N 3.42Å
532	V	98.4	Very high	96.5	Very high	10 Å²	10	22 Å²	22	6%	0.061	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-47.7	179.3	171.4	0	0	0	0	111.2	L88 F455 I524 D528 G534 L535 A536	L88-V532 HydrophobicContact CD1-CG1 4.06Å; F455-V532 HydrophobicContact CD1-CG1 4.26Å; F455-V532 HydrophobicContact CD2-CG1 3.69Å; F455-V532 HydrophobicContact CE1-CG1 4.06Å; F455-V532 HydrophobicContact CE2-CG1 3.44Å; F455-V532 VanDerWaalsContact CE2-CG1 3.44Å; F455-V532 HydrophobicContact CG-CG1 4.09Å; F455-V532 HydrophobicContact CZ-CG1 3.65Å; I524-V532 HydrophobicContact CD1-CB 4.06Å; I524-V532 HydrophobicContact CD1-CG1 4.05Å; I524-V532 HydrophobicContact CD1-CG2 4.3Å; I524-V532 HydrophobicContact CG2-CG1 4.29Å; I524-V532 HydrophobicContact CG2-CG2 4.22Å; D528-V532 HydrophobicContact CB-CG2 4.19Å; D528-V532 WeakPolarHBondContact O-CG2 3.16Å; D528-V532 PolarHBondContact O-N 3.33Å; V532-G534 VanDerWaalsContact C-N 3.29Å; V532-G534 PolarHBondContact O-N 2.85Å; V532-L535 PolarHBondContact O-N 2.85Å; V532-A536 WeakPolarHBondContact O-CB 3.46Å; V532-A536 PolarHBondContact O-N 3.45Å
533	L	98.2	Very high	95.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-35.7	177.5	-69.1	172.9	0	0	0	111.8	I330 L354 L391 L429 L431 S529 A536 L537	I330-L533 HydrophobicContact CD1-CD1 4.37Å; I330-L533 HydrophobicContact CG2-CD1 4.05Å; L354-L533 HydrophobicContact CD2-CB 3.84Å; L391-L533 HydrophobicContact CD1-CD1 4.01Å; L391-L533 HydrophobicContact CD1-CD2 3.75Å; L391-L533 HydrophobicContact CD2-CD1 3.91Å; L429-L533 HydrophobicContact CB-CD2 4.44Å; L429-L533 HydrophobicContact CD1-CD2 4.4Å; L431-L533 HydrophobicContact CD2-CD1 4.13Å; S529-L533 WeakPolarHBondContact O-CB 3.48Å; S529-L533 WeakPolarHBondContact O-CG 3.48Å; S529-L533 PolarHBondContact O-N 3.49Å; L533-A536 PolarHBondContact O-N 2.67Å; L533-L537 WeakPolarHBondContact O-CB 3.28Å; L533-L537 PolarHBondContact O-N 2.88Å
534	G	96.1	Very high	95.2	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-46.6	174.4	0	0	0	0	0	113	R530 R531 V532 L537 S538	R530-G534 PolarHBondContact O-N 3.12Å; R531-G534 PolarHBondContact O-N 3.46Å; V532-G534 VanDerWaalsContact C-N 3.29Å; V532-G534 PolarHBondContact O-N 2.85Å; G534-L537 PolarHBondContact O-N 3Å; G534-S538 PolarHBondContact O-N 2.95Å
535	L	96.1	Very high	94.4	Very high	37 Å²	37	28.5 Å²	28.5	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-43.3	175.8	-67.4	171.1	0	0	0	111.9	P86 L88 R531 V532 L537 S538 V539	P86-L535 HydrophobicContact CB-CD1 4.07Å; P86-L535 HydrophobicContact CB-CD2 3.94Å; P86-L535 HydrophobicContact CG-CD2 3.6Å; L88-L535 HydrophobicContact CD2-CB 4.32Å; R531-L535 WeakPolarHBondContact O-CG 3.5Å; R531-L535 PolarHBondContact O-N 3.42Å; V532-L535 PolarHBondContact O-N 2.85Å; L535-L537 VanDerWaalsContact C-N 3.31Å; L535-L537 PolarHBondContact O-N 3.41Å; L535-S538 PolarHBondContact O-N 2.83Å; L535-S538 PolarHBondContact O-OG 3.13Å; L535-V539 WeakPolarHBondContact O-CG2 3.05Å; L535-V539 PolarHBondContact O-N 2.71Å
536	A	97.9	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175.7	0	0	0	0	0	111.5	L429 F453 F455 V532 L533 A540	L429-A536 HydrophobicContact CD1-CB 4.37Å; L429-A536 HydrophobicContact CD2-CB 4.11Å; F453-A536 HydrophobicContact CB-CB 4.18Å; F453-A536 HydrophobicContact CD1-CB 4.5Å; F453-A536 HydrophobicContact CD2-CB 3.58Å; F453-A536 HydrophobicContact CE2-CB 4.07Å; F453-A536 HydrophobicContact CG-CB 3.82Å; F455-A536 HydrophobicContact CE2-CB 4.19Å; V532-A536 WeakPolarHBondContact O-CB 3.46Å; V532-A536 PolarHBondContact O-N 3.45Å; L533-A536 PolarHBondContact O-N 2.67Å; A536-A540 VanDerWaalsContact O-CB 3.28Å; A536-A540 WeakPolarHBondContact O-CB 3.37Å; A536-A540 PolarHBondContact O-N 2.88Å
537	L	96	Very high	93.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-42.4	176.9	-172.6	67.7	0	0	0	111.5	L354 I357 V359 P389 L429 L533 G534 L535 V539 A540 V541	L354-L537 HydrophobicContact CB-CD2 4.1Å; L354-L537 HydrophobicContact CD2-CD2 4.12Å; L354-L537 HydrophobicContact CG-CD2 4.2Å; I357-L537 HydrophobicContact CB-CD2 3.88Å; I357-L537 HydrophobicContact CG1-CD2 4.43Å; I357-L537 HydrophobicContact CG2-CD2 4.02Å; V359-L537 HydrophobicContact CG1-CD1 4.23Å; V359-L537 HydrophobicContact CG1-CD2 3.74Å; P389-L537 HydrophobicContact CB-CD1 3.91Å; P389-L537 HydrophobicContact CG-CD1 3.82Å; L429-L537 HydrophobicContact CD1-CB 4.04Å; L429-L537 HydrophobicContact CD1-CD1 4.14Å; L533-L537 WeakPolarHBondContact O-CB 3.28Å; L533-L537 PolarHBondContact O-N 2.88Å; G534-L537 PolarHBondContact O-N 3Å; L535-L537 VanDerWaalsContact C-N 3.31Å; L535-L537 PolarHBondContact O-N 3.41Å; L537-V539 PolarHBondContact O-N 3.42Å; L537-A540 PolarHBondContact O-N 3.05Å; L537-A540 VanDerWaalsContact O-N 3.13Å; L537-V541 HydrophobicContact CD1-CG1 3.55Å; L537-V541 HydrophobicContact CG-CG1 3.97Å; L537-V541 WeakPolarHBondContact O-CG1 3.15Å; L537-V541 VanDerWaalsContact O-CG2 3.29Å; L537-V541 WeakPolarHBondContact O-CG2 3.44Å; L537-V541 PolarHBondContact O-N 3.18Å
538	S	93.1	Very high	93.3	Very high	18 Å²	18	37.6 Å²	37.6	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-36	179.9	78.6	0	0	0	0	113	E120 F293 G534 L535 K542	E120-S538 PolarHBondContact OE1-OG 2.98Å; F293-S538 VanDerWaalsContact CZ-CA 3.49Å; G534-S538 PolarHBondContact O-N 2.95Å; L535-S538 PolarHBondContact O-N 2.83Å; L535-S538 PolarHBondContact O-OG 3.13Å; S538-K542 VanDerWaalsContact O-CD 3.25Å; S538-K542 WeakPolarHBondContact O-CD 3.37Å; S538-K542 WeakPolarHBondContact O-CE 3.5Å; S538-K542 VanDerWaalsContact O-CG 3.28Å; S538-K542 WeakPolarHBondContact O-CG 3.43Å
539	V	94.4	Very high	93.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-72.8	-50.8	173.4	168.9	0	0	0	0	110.6	I113 N153 L155 F453 L535 L537 V541 K542	I113-V539 HydrophobicContact CD1-CG1 4.17Å; I113-V539 HydrophobicContact CD1-CG2 4.22Å; I113-V539 HydrophobicContact CG2-CG2 3.96Å; N153-V539 HydrophobicContact CB-CG1 3.53Å; L155-V539 HydrophobicContact CD1-CG1 3.89Å; L155-V539 HydrophobicContact CD2-CG1 3.81Å; L155-V539 HydrophobicContact CG-CG1 4.23Å; F453-V539 HydrophobicContact CE2-CB 4.44Å; F453-V539 HydrophobicContact CE2-CG1 4.22Å; F453-V539 HydrophobicContact CZ-CB 4.45Å; F453-V539 HydrophobicContact CZ-CG1 4.04Å; L535-V539 WeakPolarHBondContact O-CG2 3.05Å; L535-V539 PolarHBondContact O-N 2.71Å; L537-V539 PolarHBondContact O-N 3.42Å; V539-V541 PolarHBondContact O-N 2.97Å; V539-K542 PolarHBondContact O-N 3.37Å
540	A	95.1	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-36	-167	0	0	0	0	0	114.2	N153 P427 R452 F453 A536 L537 K542 S543	N153-A540 VanDerWaalsContact OD1-CA 3.3Å; N153-A540 WeakPolarHBondContact OD1-CA 3.29Å; P427-A540 HydrophobicContact CB-CB 3.85Å; P427-A540 HydrophobicContact CG-CB 4.44Å; P427-A540 WeakPolarHBondContact CG-O 3.45Å; R452-A540 HydrophobicContact CB-CB 4.19Å; R452-A540 HydrophobicContact CG-CB 4.16Å; F453-A540 HydrophobicContact CE2-CB 4.47Å; A536-A540 VanDerWaalsContact O-CB 3.28Å; A536-A540 WeakPolarHBondContact O-CB 3.37Å; A536-A540 PolarHBondContact O-N 2.88Å; L537-A540 PolarHBondContact O-N 3.05Å; L537-A540 VanDerWaalsContact O-N 3.13Å; A540-K542 VanDerWaalsContact C-N 3.27Å; A540-K542 PolarHBondContact O-N 3.19Å; A540-S543 PolarHBondContact O-N 3.43Å; A540-S543 PolarHBondContact O-OG 2.93Å
541	V	92.3	Very high	93.2	Very high	18 Å²	18	44.7 Å²	44.7	11%	0.109	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.6	-179.6	-58.6	0	0	0	0	113.7	V291 F293 I357 P389 L537 V539 S543	V291-V541 HydrophobicContact CB-CG2 4.46Å; V291-V541 HydrophobicContact CG1-CB 4.49Å; V291-V541 HydrophobicContact CG1-CG2 3.86Å; V291-V541 WeakPolarHBondContact CG2-O 3.47Å; F293-V541 HydrophobicContact CE2-CG2 3.82Å; F293-V541 HydrophobicContact CZ-CG2 3.75Å; I357-V541 HydrophobicContact CG2-CG1 4.37Å; P389-V541 HydrophobicContact CB-CG1 4.38Å; P389-V541 HydrophobicContact CG-CG1 4.06Å; L537-V541 HydrophobicContact CD1-CG1 3.55Å; L537-V541 HydrophobicContact CG-CG1 3.97Å; L537-V541 WeakPolarHBondContact O-CG1 3.15Å; L537-V541 VanDerWaalsContact O-CG2 3.29Å; L537-V541 WeakPolarHBondContact O-CG2 3.44Å; L537-V541 PolarHBondContact O-N 3.18Å; V539-V541 PolarHBondContact O-N 2.97Å; V541-S543 VanDerWaalsContact C-N 3.3Å
542	K	88.7	Confident	93.3	Very high	77 Å²	77	45.1 Å²	45.1	34%	0.335	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.7	176.9	-66.6	175.8	-173.9	167.8	0	113.2	E120 S538 V539 A540	E120-K542 IonicContact OE1-NZ 3.28Å; E120-K542 PolarHBondContact OE1-NZ 3.38Å; E120-K542 WeakPolarHBondContact OE2-CD 3.49Å; E120-K542 IonicContact OE2-NZ 3.52Å; E120-K542 PolarHBondContact OE2-NZ 3.31Å; S538-K542 VanDerWaalsContact O-CD 3.25Å; S538-K542 WeakPolarHBondContact O-CD 3.37Å; S538-K542 WeakPolarHBondContact O-CE 3.5Å; S538-K542 VanDerWaalsContact O-CG 3.28Å; S538-K542 WeakPolarHBondContact O-CG 3.43Å; V539-K542 PolarHBondContact O-N 3.37Å; A540-K542 VanDerWaalsContact C-N 3.27Å; A540-K542 PolarHBondContact O-N 3.19Å
543	S	85.8	Confident	93.3	Very high	12 Å²	12	46.7 Å²	46.7	8%	0.084	26%	0.262	C	S	.	.	S	Bend	trans	-64.3	147.6	173.9	64.7	0	0	0	0	111.2	E152 R452 A540 V541 S545	E152-S543 WeakPolarHBondContact O-CB 3.02Å; R452-S543 PolarHBondContact NH1-OG 3.47Å; R452-S543 PolarHBondContact NH2-OG 3.07Å; A540-S543 PolarHBondContact O-N 3.43Å; A540-S543 PolarHBondContact O-OG 2.93Å; V541-S543 VanDerWaalsContact C-N 3.3Å; S543-S545 PolarHBondContact O-N 2.65Å
544	P	83.6	Confident	93.3	Very high	72 Å²	72	55.4 Å²	55.4	47%	0.468	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-52.5	132.4	176.3	-26.6	35.3	0	0	0	111.5	H154	H154-P544 VanDerWaalsContact CE1-CD 3.45Å; H154-P544 WeakPolarHBondContact CE1-CD 3.43Å
545	S	81.4	Confident	93.3	Very high	94 Å²	94	63.2 Å²	63.2	66%	0.657	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-64.4	140.3	179.3	64	0	0	0	0	110.5	S543	S543-S545 PolarHBondContact O-N 2.65Å
546	Q	87.4	Confident	93.2	Very high	97 Å²	97	64.6 Å²	64.6	45%	0.453	34%	0.338	S	S	.	.			trans	-123.6	136.1	179.7	-70.2	-175.8	9.1	0	0	109.6	K425 S548	K425-Q546 HydrophobicContact CB-CB 3.69Å; K425-Q546 HydrophobicContact CG-CB 4.33Å; Q546-S548 PolarHBondContact O-N 3.47Å
547	H	90.4	Very high	92.9	Very high	131 Å²	131	67.9 Å²	67.9	61%	0.606	36%	0.356	S	S	*	.			trans	-72.4	130.6	174.3	-165.2	62.9	0	0	0	110.3	I549	H547-I549 PolarHBondContact O-N 3.29Å
548	S	94.9	Very high	92.8	Very high	9 Å²	9	71.7 Å²	71.7	6%	0.063	38%	0.375	C	S	.	.			trans	-82.5	116	175	-57.6	0	0	0	0	109.5	K425 Q546	K425-S548 PolarHBondContact N-OG 2.87Å; Q546-S548 PolarHBondContact O-N 3.47Å
549	I	96.5	Very high	92.8	Very high	134 Å²	134	74.8 Å²	74.8	69%	0.687	39%	0.39	S	S	*	.			trans	-106.4	113.3	172.2	-60.9	170.7	0	0	0	107	H547	H547-I549 PolarHBondContact O-N 3.29Å
550	F	97.6	Very high	92.7	Very high	58 Å²	58	79.3 Å²	79.3	25%	0.254	41%	0.413	S	S	.	.			trans	-80.5	144.2	-179.4	-63.4	-78.7	0	0	0	111.6	Q381 A420 C423 F553	Q381-F550 HydrophobicContact CB-CE2 4.46Å; Q381-F550 HydrophobicContact CB-CZ 4.38Å; Q381-F550 HydrophobicContact CG-CE1 4.26Å; Q381-F550 HydrophobicContact CG-CE2 3.98Å; Q381-F550 HydrophobicContact CG-CZ 3.85Å; A420-F550 HydrophobicContact CB-CE1 4.26Å; C423-F550 HydrophobicContact CB-CB 4.39Å; C423-F550 HydrophobicContact CB-CD1 3.56Å; C423-F550 HydrophobicContact CB-CE1 4.15Å; C423-F550 HydrophobicContact CB-CG 4.26Å; F550-F553 HydrophobicContact CB-CE2 3.59Å; F550-F553 HydrophobicContact CB-CZ 4.11Å; F550-F553 HydrophobicContact CD1-CE2 4.21Å; F550-F553 AromaticContact CD1-CZ 3.88Å; F550-F553 HydrophobicContact CD1-CZ 3.88Å; F550-F553 AromaticContact CG-CE2 3.91Å; F550-F553 HydrophobicContact CG-CE2 3.91Å; F550-F553 HydrophobicContact CG-CZ 4.06Å
551	G	97.6	Very high	92.5	Very high	34 Å²	34	84.5 Å²	84.5	35%	0.351	44%	0.44	S	S	.	.			trans	-70.6	-176.5	166.1	0	0	0	0	0	112.2	C423 F553	C423-G551 PolarHBondContact SG-N 3.47Å; G551-F553 PolarHBondContact O-N 3.5Å
552	V	98.2	Very high	92.5	Very high	132 Å²	132	89.3 Å²	89.3	80%	0.8	46%	0.464	S	S	*	.			trans	-70.4	119.4	-178.1	-178.2	0	0	0	0	110.6	M419	M419-V552 WeakPolarHBondContact CE-O 3.45Å
553	F	98.5	Very high	92.8	Very high	44 Å²	44	90.2 Å²	90.2	19%	0.193	47%	0.474	C	S	.	.			trans	-78.1	127.3	171.2	-71.4	-85.1	0	0	0	110.9	Q381 K416 M419 A420 F550 G551 M555	Q381-F553 HydrophobicContact CG-CZ 4.36Å; K416-F553 HydrophobicContact CB-CD1 3.94Å; K416-F553 HydrophobicContact CB-CE1 4.37Å; K416-F553 HydrophobicContact CG-CD1 4.01Å; K416-F553 WeakPolarHBondContact O-CE1 3.38Å; M419-F553 HydrophobicContact CB-CD1 4.13Å; M419-F553 HydrophobicContact CB-CE1 3.92Å; M419-F553 HydrophobicContact CG-CD1 3.95Å; M419-F553 HydrophobicContact CG-CE1 3.78Å; M419-F553 HydrophobicContact CG-CE2 4.49Å; M419-F553 HydrophobicContact CG-CG 4.39Å; M419-F553 HydrophobicContact CG-CZ 4.07Å; A420-F553 HydrophobicContact CB-CE1 4.17Å; A420-F553 HydrophobicContact CB-CZ 4.22Å; F550-F553 HydrophobicContact CB-CE2 3.59Å; F550-F553 HydrophobicContact CB-CZ 4.11Å; F550-F553 HydrophobicContact CD1-CE2 4.21Å; F550-F553 AromaticContact CD1-CZ 3.88Å; F550-F553 HydrophobicContact CD1-CZ 3.88Å; F550-F553 AromaticContact CG-CE2 3.91Å; F550-F553 HydrophobicContact CG-CE2 3.91Å; F550-F553 HydrophobicContact CG-CZ 4.06Å; G551-F553 PolarHBondContact O-N 3.5Å; F553-M555 HydrophobicContact CB-SD 4.38Å; F553-M555 PolarHBondContact O-N 3.12Å
554	R	97.9	Very high	93.4	Very high	184 Å²	184	96.8 Å²	96.8	69%	0.694	51%	0.506	S	S	*	.			trans	-78.6	105.2	170.5	-179.6	174.6	-64.9	-77.3	-2.3	109.4	K412 K416	K412-R554 HydrophobicContact CB-CG 4.04Å; K416-R554 WeakPolarHBondContact CE-O 3.21Å; K416-R554 PolarHBondContact NZ-O 2.86Å
555	M	96.7	Very high	94.3	Very high	172 Å²	172	99 Å²	99	85%	0.847	51%	0.51	S	S	*	.			trans	-71.1	0	-173.6	-66	-56.4	-141.6	0	0	115.1	K412 K416 F553	K412-M555 WeakPolarHBondContact CD-O 3.46Å; K412-M555 PolarHBondContact NZ-O 3.04Å; K412-M555 PolarHBondContact NZ-OXT 2.97Å; K416-M555 WeakPolarHBondContact CE-OXT 3.45Å; K416-M555 VanDerWaalsContact NZ-C 3.33Å; K416-M555 PolarHBondContact NZ-OXT 2.77Å; F553-M555 HydrophobicContact CB-SD 4.38Å; F553-M555 PolarHBondContact O-N 3.12Å

Retrieved 555 of 555 residues in 186.8 ms (Link to these results)

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