A0A087XGL3_POEFO Loading...

alanine transaminase

Catalyzes the reversible transamination between alanine and 2-oxoglutarate to form pyruvate and glutamate.

AlphaFold DB , UniProt , Accession A0A087XGL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	52.8	Low	239 Å²	239	126.6 Å²	126.6	100%	1.177	75%	0.75	S	S	*	*				0	120.2	0	-77.7	179.9	-76.6	0	0	107.9	Q3	M1-Q3 PolarHBondContact O-N 3.49Å
2	S	43.8	Very low	54.8	Low	108 Å²	108	135.8 Å²	135.8	76%	0.755	76%	0.762	S	S	*	*			trans	-56.1	124.2	-178.8	39.5	0	0	0	0	111.6	E4	S2-E4 PolarHBondContact O-N 3.09Å
3	Q	49.3	Very low	57	Low	167 Å²	167	130.2 Å²	130.2	78%	0.78	75%	0.753	S	S	*	*			trans	-78.6	100.5	164.5	-76.8	-176.2	-6.7	0	0	107.7	M1	M1-Q3 PolarHBondContact O-N 3.49Å
4	E	47.4	Very low	59.4	Low	174 Å²	174	133.6 Å²	133.6	81%	0.813	76%	0.755	S	S	*	*			trans	-64.8	132.4	169.4	-76.4	-178.8	156.8	0	0	110.1	S2 V6	S2-E4 PolarHBondContact O-N 3.09Å; E4-V6 PolarHBondContact O-N 2.98Å
5	A	47.5	Very low	61.6	Low	64 Å²	64	134 Å²	134	53%	0.529	76%	0.761	S	S	.	*			trans	-75	112.7	-179.6	0	0	0	0	0	110.2	N7	A5-N7 PolarHBondContact O-N 3.49Å
6	V	54.8	Low	63.6	Low	122 Å²	122	133.8 Å²	133.8	74%	0.739	76%	0.756	S	S	*	*	S	Bend	trans	-77	118.6	160.6	179.5	0	0	0	0	107.1	E4	E4-V6 PolarHBondContact O-N 2.98Å
7	N	60.1	Low	65.4	Low	146 Å²	146	128.9 Å²	128.9	78%	0.781	73%	0.73	S	S	*	*	S	Bend	trans	80	24.8	171.5	-56.8	-19.7	0	0	0	119.5	A5 V9	A5-N7 PolarHBondContact O-N 3.49Å; N7-V9 PolarHBondContact O-N 3.35Å
8	G	60	Low	66.8	Low	73 Å²	73	128.1 Å²	128.1	75%	0.753	73%	0.727	S	S	*	*	S	Bend	trans	68	7.3	166.2	0	0	0	0	0	115.9
9	V	59	Low	68.2	Low	106 Å²	106	130.5 Å²	130.5	64%	0.642	73%	0.732	S	S	*	*			trans	-92.1	120.3	167.2	-176.7	0	0	0	0	107.1	N7 C11	N7-V9 PolarHBondContact O-N 3.35Å; V9-C11 PolarHBondContact O-N 3.25Å; V9-C11 VanDerWaalsContact O-N 3.09Å
10	P	59.1	Low	69.4	Low	103 Å²	103	128.7 Å²	128.7	67%	0.669	72%	0.72	S	S	*	*			trans	-59.3	121.2	175.5	16.5	-21.6	0	0	0	108.5	R12	P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 3.07Å
11	C	61.3	Low	70.7	Confident	91 Å²	91	125 Å²	125	62%	0.615	70%	0.699	S	S	*	*			trans	-61.6	95.1	174.6	-165.4	0	0	0	0	107.3	V9 G13	V9-C11 PolarHBondContact O-N 3.25Å; V9-C11 VanDerWaalsContact O-N 3.09Å; C11-G13 PolarHBondContact O-N 2.79Å
12	R	76.1	Confident	73.4	Confident	237 Å²	237	117.5 Å²	117.5	89%	0.894	66%	0.663	S	S	*	*			trans	-63.5	115.3	176.7	-79.7	-174.3	176.2	-174.5	-0.3	106.7	P10	P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 3.07Å
13	G	83.8	Confident	75.8	Confident	62 Å²	62	116.1 Å²	116.1	64%	0.639	65%	0.652	S	S	*	*			trans	-53.5	165	173.1	0	0	0	0	0	111.7	C11 V15	C11-G13 PolarHBondContact O-N 2.79Å; G13-V15 PolarHBondContact O-N 3.37Å
14	K	90.5	Very high	78	Confident	179 Å²	179	109.9 Å²	109.9	78%	0.778	62%	0.623	S	S	*	*			trans	-61.5	132.8	177.3	-61.8	-64.1	-175.5	-179.2	0	109.8	T17	K14-T17 HydrophobicContact CB-CG2 4.11Å
15	V	92.6	Very high	80.2	Confident	139 Å²	139	104.7 Å²	104.7	84%	0.842	60%	0.603	S	S	*	*	S	Bend	trans	-66.4	-40.1	178.9	175.2	0	0	0	0	111.5	G13 N20	G13-V15 PolarHBondContact O-N 3.37Å; V15-N20 PolarHBondContact O-ND2 3.27Å
16	L	94.2	Very high	82.3	Confident	130 Å²	130	106.1 Å²	106.1	68%	0.681	60%	0.598	S	S	*	*	S	Bend	trans	-110.9	125.3	175.8	-174.9	67.6	0	0	0	109.1	N20 M21	L16-N20 WeakPolarHBondContact CA-OD1 3.39Å; L16-M21 HydrophobicContact CD1-CB 3.77Å; L16-M21 HydrophobicContact CG-CB 4.47Å
17	T	93.9	Very high	83.9	Confident	51 Å²	51	106.5 Å²	106.5	31%	0.313	59%	0.586	S	S	.	*			trans	-131.3	166.6	178.8	67.9	0	0	0	0	109.8	K14 E19 N20 M21	K14-T17 HydrophobicContact CB-CG2 4.11Å; T17-E19 PolarHBondContact O-N 3.44Å; T17-E19 PolarHBondContact OG1-N 3.19Å; T17-N20 PolarHBondContact N-OD1 2.82Å; T17-N20 PolarHBondContact O-N 2.84Å; T17-N20 PolarHBondContact O-OD1 3.33Å; T17-N20 PolarHBondContact OG1-N 3.35Å; T17-N20 PolarHBondContact OG1-OD1 3.18Å; T17-M21 WeakPolarHBondContact O-CB 3.45Å; T17-M21 PolarHBondContact O-N 2.94Å
18	V	90.8	Very high	85.4	Confident	114 Å²	114	102 Å²	102	69%	0.691	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-25.4	173.1	176.6	0	0	0	0	111.3	K26	V18-K26 WeakPolarHBondContact O-CE 3.38Å; V18-K26 PolarHBondContact O-NZ 2.96Å
19	E	92.7	Very high	86.6	Confident	175 Å²	175	106.1 Å²	106.1	82%	0.818	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-43.4	178.7	-66.3	171.6	-175.4	0	0	111.8	T17 K26	T17-E19 PolarHBondContact O-N 3.44Å; T17-E19 PolarHBondContact OG1-N 3.19Å; E19-K26 PolarHBondContact O-NZ 2.79Å
20	N	93	Very high	87.8	Confident	93 Å²	93	104.6 Å²	104.6	50%	0.497	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-2.4	-173.2	76.1	4.8	0	0	0	115.5	V15 L16 T17	V15-N20 PolarHBondContact O-ND2 3.27Å; L16-N20 WeakPolarHBondContact CA-OD1 3.39Å; T17-N20 PolarHBondContact N-OD1 2.82Å; T17-N20 PolarHBondContact O-N 2.84Å; T17-N20 PolarHBondContact O-OD1 3.33Å; T17-N20 PolarHBondContact OG1-N 3.35Å; T17-N20 PolarHBondContact OG1-OD1 3.18Å
21	M	95.8	Very high	88.7	Confident	53 Å²	53	101 Å²	101	26%	0.261	53%	0.525	S	S	.	.	S	Bend	trans	-66	158.1	173.1	68.7	176.9	-71	0	0	111.9	L16 T17 P23 V25 K26	L16-M21 HydrophobicContact CD1-CB 3.77Å; L16-M21 HydrophobicContact CG-CB 4.47Å; T17-M21 WeakPolarHBondContact O-CB 3.45Å; T17-M21 PolarHBondContact O-N 2.94Å; M21-P23 VanDerWaalsContact O-N 3.13Å; M21-V25 HydrophobicContact CE-CB 3.92Å; M21-V25 HydrophobicContact CE-CG1 3.58Å; M21-K26 HydrophobicContact CE-CG 4.05Å; M21-K26 HydrophobicContact CG-CD 4.06Å; M21-K26 HydrophobicContact CG-CG 3.7Å; M21-K26 WeakPolarHBondContact O-CE 3.32Å; M21-K26 HydrophobicContact SD-CG 3.83Å
22	N	95.6	Very high	89.4	Confident	81 Å²	81	97 Å²	97	43%	0.433	50%	0.498	S	S	.	.			trans	-50.5	119	-180	-179.5	-10.6	0	0	0	110.9	N24 V25 K26	N22-N24 PolarHBondContact O-N 2.95Å; N22-N24 WeakPolarHBondContact OD1-CB 3.07Å; N22-N24 PolarHBondContact OD1-N 2.67Å; N22-V25 HydrophobicContact CB-CB 4.35Å; N22-V25 HydrophobicContact CB-CG2 3.9Å; N22-V25 PolarHBondContact O-N 3.29Å; N22-V25 VanDerWaalsContact O-N 3.08Å; N22-K26 PolarHBondContact O-N 3.47Å
23	P	94.5	Very high	89.5	Confident	79 Å²	79	94 Å²	94	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-28	-176.9	25	-35.1	0	0	0	113.1	M21 K26 R27	M21-P23 VanDerWaalsContact O-N 3.13Å; P23-K26 WeakPolarHBondContact O-CB 3.18Å; P23-K26 PolarHBondContact O-N 2.97Å; P23-R27 PolarHBondContact O-N 3.23Å
24	N	94.9	Very high	89.6	Confident	35 Å²	35	91.7 Å²	91.7	19%	0.187	46%	0.462	C	S	.	.	H	α-helix	trans	-64	-43.8	175.8	-65.3	-4.7	0	0	0	110.9	N22 K26 R27 V28 A192 D193	N22-N24 PolarHBondContact O-N 2.95Å; N22-N24 WeakPolarHBondContact OD1-CB 3.07Å; N22-N24 PolarHBondContact OD1-N 2.67Å; N24-K26 VanDerWaalsContact C-N 3.28Å; N24-K26 PolarHBondContact O-N 2.72Å; N24-R27 PolarHBondContact O-N 3.39Å; N24-R27 PolarHBondContact OD1-NH2 3.26Å; N24-V28 PolarHBondContact O-N 3.13Å; N24-A192 WeakPolarHBondContact CB-O 2.9Å; N24-D193 WeakPolarHBondContact CB-O 3.5Å; N24-D193 PolarHBondContact ND2-O 3.14Å
25	V	93.1	Very high	89.6	Confident	65 Å²	65	86.7 Å²	86.7	39%	0.394	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-33.5	178	-179.5	0	0	0	0	111.3	M21 N22 R27 V28	M21-V25 HydrophobicContact CE-CB 3.92Å; M21-V25 HydrophobicContact CE-CG1 3.58Å; N22-V25 HydrophobicContact CB-CB 4.35Å; N22-V25 HydrophobicContact CB-CG2 3.9Å; N22-V25 PolarHBondContact O-N 3.29Å; N22-V25 VanDerWaalsContact O-N 3.08Å; V25-R27 PolarHBondContact O-N 3.21Å; V25-V28 WeakPolarHBondContact O-CB 3.42Å; V25-V28 PolarHBondContact O-N 2.9Å
26	K	91.6	Very high	89.6	Confident	94 Å²	94	80.4 Å²	80.4	41%	0.409	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-28.8	175	-58	-178	-156.8	-176.8	0	112.9	V18 E19 M21 N22 P23 N24	V18-K26 WeakPolarHBondContact O-CE 3.38Å; V18-K26 PolarHBondContact O-NZ 2.96Å; E19-K26 PolarHBondContact O-NZ 2.79Å; M21-K26 HydrophobicContact CE-CG 4.05Å; M21-K26 HydrophobicContact CG-CD 4.06Å; M21-K26 HydrophobicContact CG-CG 3.7Å; M21-K26 WeakPolarHBondContact O-CE 3.32Å; M21-K26 HydrophobicContact SD-CG 3.83Å; N22-K26 PolarHBondContact O-N 3.47Å; P23-K26 WeakPolarHBondContact O-CB 3.18Å; P23-K26 PolarHBondContact O-N 2.97Å; N24-K26 VanDerWaalsContact C-N 3.28Å; N24-K26 PolarHBondContact O-N 2.72Å
27	R	90.3	Very high	89.5	Confident	130 Å²	130	75.4 Å²	75.4	49%	0.491	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.7	178.5	-61.5	-173.3	-53.9	-122.6	-5	113.2	P23 N24 V25 E29 A192	P23-R27 PolarHBondContact O-N 3.23Å; N24-R27 PolarHBondContact O-N 3.39Å; N24-R27 PolarHBondContact OD1-NH2 3.26Å; V25-R27 PolarHBondContact O-N 3.21Å; R27-E29 PolarHBondContact O-N 3.35Å; R27-A192 HydrophobicContact CB-CB 4.19Å; R27-A192 PolarHBondContact NH2-O 3.31Å
28	V	91.1	Very high	89.5	Confident	53 Å²	53	79.5 Å²	79.5	32%	0.321	40%	0.4	S	S	.	.			trans	-72.5	116	179.8	175.8	0	0	0	0	108.9	N24 V25 A189 A192 D193	N24-V28 PolarHBondContact O-N 3.13Å; V25-V28 WeakPolarHBondContact O-CB 3.42Å; V25-V28 PolarHBondContact O-N 2.9Å; V28-A189 HydrophobicContact CG1-CB 3.88Å; V28-A192 HydrophobicContact CG2-CB 4.04Å; V28-D193 HydrophobicContact CG2-CB 3.93Å
29	E	85.8	Confident	89.7	Confident	159 Å²	159	76 Å²	76	74%	0.743	38%	0.375	S	S	*	.			trans	-115.7	138.5	172	-65.1	-174.1	-178.8	0	0	110.1	R27	R27-E29 PolarHBondContact O-N 3.35Å
30	Y	83.4	Confident	89.9	Confident	74 Å²	74	67.6 Å²	67.6	29%	0.29	34%	0.336	S	S	.	.			trans	-140.1	83.9	179.2	-166.5	-108.1	0	0	0	111.6	V32 R33 Y184 P185 A189	Y30-V32 HydrophobicContact CD1-CB 4.32Å; Y30-V32 HydrophobicContact CE1-CB 3.79Å; Y30-V32 HydrophobicContact CE1-CG1 4.44Å; Y30-V32 PolarHBondContact O-N 3.08Å; Y30-V32 VanDerWaalsContact O-N 3.12Å; Y30-R33 HydrophobicContact CD1-CB 4.25Å; Y30-R33 HydrophobicContact CD1-CG 4.29Å; Y30-R33 HydrophobicContact CE1-CG 4.24Å; Y30-R33 PolarHBondContact O-N 3.3Å; Y30-R33 VanDerWaalsContact O-N 3.09Å; Y30-Y184 PolarHBondContact OH-OH 2.78Å; Y30-P185 HydrophobicContact CD2-CB 3.93Å; Y30-P185 HydrophobicContact CE2-CB 4.06Å; Y30-A189 HydrophobicContact CD2-CB 4.32Å
31	A	77.4	Confident	90	Very high	27 Å²	27	66.7 Å²	66.7	22%	0.223	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-60.9	-26.2	-169.8	0	0	0	0	0	115	R33 G34 V447	A31-R33 PolarHBondContact O-N 3.37Å; A31-G34 PolarHBondContact O-N 3.06Å; A31-V447 HydrophobicContact CB-CG1 4.38Å
32	V	76.2	Confident	90.1	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.042	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61.2	-18.5	178	-178.9	0	0	0	0	112.4	Y30 P185 F452	Y30-V32 HydrophobicContact CD1-CB 4.32Å; Y30-V32 HydrophobicContact CE1-CB 3.79Å; Y30-V32 HydrophobicContact CE1-CG1 4.44Å; Y30-V32 PolarHBondContact O-N 3.08Å; Y30-V32 VanDerWaalsContact O-N 3.12Å; V32-P185 HydrophobicContact CG2-CG 4.17Å; V32-F452 HydrophobicContact CG2-CE1 4.2Å; V32-F452 HydrophobicContact CG2-CZ 4.37Å
33	R	79.3	Confident	90.2	Very high	175 Å²	175	65.2 Å²	65.2	66%	0.66	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-126.6	29.6	171.8	-63.1	-171.8	173.2	-157.3	-2.1	112.6	Y30 A31	Y30-R33 HydrophobicContact CD1-CB 4.25Å; Y30-R33 HydrophobicContact CD1-CG 4.29Å; Y30-R33 HydrophobicContact CE1-CG 4.24Å; Y30-R33 PolarHBondContact O-N 3.3Å; Y30-R33 VanDerWaalsContact O-N 3.09Å; A31-R33 PolarHBondContact O-N 3.37Å
34	G	84.5	Confident	90.3	Very high	12 Å²	12	64 Å²	64	12%	0.124	31%	0.31	C	S	.	.	S	Bend	trans	-81.7	-160.5	-175.2	0	0	0	0	0	115.3	A31 I36 V37 Q38	A31-G34 PolarHBondContact O-N 3.06Å; G34-I36 VanDerWaalsContact C-N 3.34Å; G34-I36 PolarHBondContact O-N 3.21Å; G34-V37 WeakPolarHBondContact O-CB 3.39Å; G34-V37 PolarHBondContact O-N 3.44Å; G34-Q38 PolarHBondContact O-N 3.32Å
35	P	90.7	Very high	90.4	Very high	75 Å²	75	67.5 Å²	67.5	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-55.5	-37.9	-172.7	-29	36	0	0	0	115.5	V37 Q38 R39	P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 2.9Å; P35-Q38 PolarHBondContact O-N 2.99Å; P35-R39 PolarHBondContact O-N 3.46Å
36	I	92.8	Very high	90.6	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-41.3	177	-57.5	-166.5	0	0	0	110.8	G34 R39 A40 M432 C435 M436 L439 P448	G34-I36 VanDerWaalsContact C-N 3.34Å; G34-I36 PolarHBondContact O-N 3.21Å; I36-R39 PolarHBondContact O-N 2.92Å; I36-A40 WeakPolarHBondContact O-CB 3.48Å; I36-A40 PolarHBondContact O-N 3.18Å; I36-M432 HydrophobicContact CD1-SD 3.65Å; I36-M432 HydrophobicContact CG1-CE 4.32Å; I36-M432 HydrophobicContact CG1-SD 3.5Å; I36-M432 VanDerWaalsContact CG1-SD 3.5Å; I36-C435 HydrophobicContact CD1-CB 3.39Å; I36-M436 HydrophobicContact CG1-CE 3.98Å; I36-L439 HydrophobicContact CG2-CD2 3.74Å; I36-L439 WeakPolarHBondContact O-CD2 3.37Å; I36-P448 HydrophobicContact CD1-CG 4.11Å
37	V	91.9	Very high	90.9	Very high	26 Å²	26	63.2 Å²	63.2	16%	0.158	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-38.8	179.7	-177.9	0	0	0	0	110.8	G34 P35 R39 A40 V41 N62	G34-V37 WeakPolarHBondContact O-CB 3.39Å; G34-V37 PolarHBondContact O-N 3.44Å; P35-V37 VanDerWaalsContact C-N 3.3Å; P35-V37 PolarHBondContact O-N 2.9Å; V37-R39 VanDerWaalsContact C-N 3.33Å; V37-A40 WeakPolarHBondContact O-CB 3.42Å; V37-A40 PolarHBondContact O-N 3.49Å; V37-V41 WeakPolarHBondContact O-CG2 3.22Å; V37-V41 PolarHBondContact O-N 3.36Å; V37-N62 VanDerWaalsContact CG2-ND2 3.35Å; V37-N62 WeakPolarHBondContact CG2-ND2 3.36Å
38	Q	93.6	Very high	91.3	Very high	136 Å²	136	66.7 Å²	66.7	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-61.6	-44	174.1	-65.1	176.3	-10	0	0	111.1	G34 P35 V41 Q42	G34-Q38 PolarHBondContact O-N 3.32Å; P35-Q38 PolarHBondContact O-N 2.99Å; Q38-V41 PolarHBondContact O-N 3.32Å; Q38-Q42 PolarHBondContact O-N 2.94Å
39	R	96.4	Very high	91.6	Very high	40 Å²	40	70.2 Å²	70.2	15%	0.151	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-41.3	176.2	-176.7	56.6	-177.9	142.4	12.6	112.1	P35 I36 V37 V41 Q42 I43 E46 M436 L439 E440	P35-R39 PolarHBondContact O-N 3.46Å; I36-R39 PolarHBondContact O-N 2.92Å; V37-R39 VanDerWaalsContact C-N 3.33Å; R39-V41 VanDerWaalsContact C-N 3.32Å; R39-V41 PolarHBondContact O-N 2.71Å; R39-Q42 WeakPolarHBondContact O-CB 2.84Å; R39-Q42 PolarHBondContact O-N 3.46Å; R39-Q42 VanDerWaalsContact O-N 3.09Å; R39-I43 HydrophobicContact CG-CD1 4.05Å; R39-I43 HydrophobicContact CG-CG1 4.47Å; R39-I43 WeakPolarHBondContact O-CG1 3.39Å; R39-I43 PolarHBondContact O-N 2.87Å; R39-E46 IonicContact CZ-OE1 2.76Å; R39-E46 IonicContact NH1-OE1 2.65Å; R39-E46 PolarHBondContact NH1-OE1 2.76Å; R39-E46 IonicContact NH1-OE2 3.32Å; R39-E46 IonicContact NH2-OE1 3.08Å; R39-E46 IonicContact NH2-OE2 2.63Å; R39-M436 HydrophobicContact CB-CE 4.41Å; R39-M436 HydrophobicContact CB-SD 4.12Å; R39-M436 HydrophobicContact CG-SD 3.93Å; R39-L439 HydrophobicContact CB-CD2 3.96Å; R39-L439 HydrophobicContact CG-CD2 3.9Å; R39-E440 IonicContact CZ-OE1 2.87Å; R39-E440 VanDerWaalsContact CZ-OE1 3.32Å; R39-E440 IonicContact CZ-OE2 3.8Å; R39-E440 IonicContact NE-OE1 2.62Å; R39-E440 PolarHBondContact NE-OE1 3.32Å; R39-E440 IonicContact NE-OE2 3.18Å; R39-E440 IonicContact NH2-OE1 3.56Å; R39-E440 PolarHBondContact NH2-OE1 3.03Å; R39-E440 IonicContact NH2-OE2 3.98Å; R39-E440 PolarHBondContact NH2-OE2 3.24Å
40	A	96.1	Very high	92.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-45.4	174.5	0	0	0	0	0	111.6	I36 V37 Q42 I43 E44 V58 L439 C445	I36-A40 WeakPolarHBondContact O-CB 3.48Å; I36-A40 PolarHBondContact O-N 3.18Å; V37-A40 WeakPolarHBondContact O-CB 3.42Å; V37-A40 PolarHBondContact O-N 3.49Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.06Å; A40-I43 PolarHBondContact O-N 2.65Å; A40-E44 WeakPolarHBondContact O-CG 3.38Å; A40-E44 PolarHBondContact O-N 3.18Å; A40-V58 HydrophobicContact CB-CG1 3.93Å; A40-L439 HydrophobicContact CB-CD1 4.08Å; A40-L439 HydrophobicContact CB-CD2 4.1Å; A40-C445 HydrophobicContact CB-CB 4.16Å
41	V	95.6	Very high	92.8	Very high	74 Å²	74	64.9 Å²	64.9	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-37.5	175.5	171.3	0	0	0	0	112	V37 Q38 R39 E44 K45	V37-V41 WeakPolarHBondContact O-CG2 3.22Å; V37-V41 PolarHBondContact O-N 3.36Å; Q38-V41 PolarHBondContact O-N 3.32Å; R39-V41 VanDerWaalsContact C-N 3.32Å; R39-V41 PolarHBondContact O-N 2.71Å; V41-E44 PolarHBondContact O-N 2.87Å; V41-K45 PolarHBondContact O-N 3.2Å; V41-K45 VanDerWaalsContact O-N 3.1Å
42	Q	97.3	Very high	93.7	Very high	103 Å²	103	73.3 Å²	73.3	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-44.1	174.7	-171.1	-174.1	3.6	0	0	111.5	Q38 R39 A40 E44 K45 E46	Q38-Q42 PolarHBondContact O-N 2.94Å; R39-Q42 WeakPolarHBondContact O-CB 2.84Å; R39-Q42 PolarHBondContact O-N 3.46Å; R39-Q42 VanDerWaalsContact O-N 3.09Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.06Å; Q42-E44 VanDerWaalsContact C-N 3.33Å; Q42-E44 PolarHBondContact O-N 2.93Å; Q42-K45 WeakPolarHBondContact O-CA 3.34Å; Q42-K45 WeakPolarHBondContact O-CB 3.46Å; Q42-K45 PolarHBondContact O-N 2.79Å; Q42-E46 WeakPolarHBondContact O-CG 3.38Å; Q42-E46 PolarHBondContact O-N 2.97Å
43	I	97.6	Very high	94.6	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-40.5	176.6	-67.2	168.3	0	0	0	110.8	R39 A40 K45 E46 L47 F55 V58 L439	R39-I43 HydrophobicContact CG-CD1 4.05Å; R39-I43 HydrophobicContact CG-CG1 4.47Å; R39-I43 WeakPolarHBondContact O-CG1 3.39Å; R39-I43 PolarHBondContact O-N 2.87Å; A40-I43 PolarHBondContact O-N 2.65Å; I43-K45 PolarHBondContact O-N 3.16Å; I43-E46 WeakPolarHBondContact O-CB 3.43Å; I43-E46 PolarHBondContact O-N 3.48Å; I43-L47 HydrophobicContact CG2-CD1 4.13Å; I43-L47 HydrophobicContact CG2-CG 4.38Å; I43-L47 WeakPolarHBondContact O-CG 3.44Å; I43-L47 PolarHBondContact O-N 2.99Å; I43-F55 HydrophobicContact CG2-CE2 3.6Å; I43-F55 HydrophobicContact CG2-CZ 3.91Å; I43-V58 HydrophobicContact CB-CG2 3.97Å; I43-V58 HydrophobicContact CG2-CG2 3.54Å; I43-L439 HydrophobicContact CD1-CD1 4.15Å; I43-L439 HydrophobicContact CD1-CD2 4.16Å; I43-L439 HydrophobicContact CD1-CG 3.8Å
44	E	96.9	Very high	95.4	Very high	52 Å²	52	72.2 Å²	72.2	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-34.9	172.8	-72.4	177.2	147.9	0	0	112.3	A40 V41 Q42 R48 V58 K60	A40-E44 WeakPolarHBondContact O-CG 3.38Å; A40-E44 PolarHBondContact O-N 3.18Å; V41-E44 PolarHBondContact O-N 2.87Å; Q42-E44 VanDerWaalsContact C-N 3.33Å; Q42-E44 PolarHBondContact O-N 2.93Å; E44-R48 WeakPolarHBondContact O-CG 3.48Å; E44-R48 PolarHBondContact O-N 3.42Å; E44-R48 PolarHBondContact O-NE 3.45Å; E44-V58 HydrophobicContact CG-CB 3.79Å; E44-V58 HydrophobicContact CG-CG2 3.81Å; E44-K60 WeakPolarHBondContact OE1-CE 3.48Å; E44-K60 IonicContact OE1-NZ 3.9Å; E44-K60 PolarHBondContact OE1-NZ 3.3Å; E44-K60 WeakPolarHBondContact OE2-CE 3.4Å; E44-K60 IonicContact OE2-NZ 3.61Å; E44-K60 PolarHBondContact OE2-NZ 2.99Å
45	K	97.3	Very high	95.9	Very high	110 Å²	110	72.4 Å²	72.4	48%	0.478	37%	0.365	S	S	.	.	H	α-helix	trans	-70.1	-47.2	173.2	-175.5	-178.1	167.9	-176.5	0	111.3	V41 Q42 I43 L47 R48 E49	V41-K45 PolarHBondContact O-N 3.2Å; V41-K45 VanDerWaalsContact O-N 3.1Å; Q42-K45 WeakPolarHBondContact O-CA 3.34Å; Q42-K45 WeakPolarHBondContact O-CB 3.46Å; Q42-K45 PolarHBondContact O-N 2.79Å; I43-K45 PolarHBondContact O-N 3.16Å; K45-L47 VanDerWaalsContact C-N 3.32Å; K45-L47 PolarHBondContact O-N 3.13Å; K45-R48 PolarHBondContact O-N 3.37Å; K45-R48 VanDerWaalsContact O-N 3.13Å; K45-E49 WeakPolarHBondContact CE-OE1 2.99Å; K45-E49 IonicContact NZ-OE1 3.7Å; K45-E49 WeakPolarHBondContact O-CG 3.32Å; K45-E49 PolarHBondContact O-N 3.19Å
46	E	97.9	Very high	96.1	Very high	30 Å²	30	75.2 Å²	75.2	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-55.1	-45.5	176.6	-72.6	171.2	-161.6	0	0	111.7	R39 Q42 I43 R48 E49 G50 V51 K53	R39-E46 IonicContact CZ-OE1 2.76Å; R39-E46 IonicContact NH1-OE1 2.65Å; R39-E46 PolarHBondContact NH1-OE1 2.76Å; R39-E46 IonicContact NH1-OE2 3.32Å; R39-E46 IonicContact NH2-OE1 3.08Å; R39-E46 IonicContact NH2-OE2 2.63Å; Q42-E46 WeakPolarHBondContact O-CG 3.38Å; Q42-E46 PolarHBondContact O-N 2.97Å; I43-E46 WeakPolarHBondContact O-CB 3.43Å; I43-E46 PolarHBondContact O-N 3.48Å; E46-R48 PolarHBondContact O-N 3.17Å; E46-E49 CarbonylContact O-C 3.31Å; E46-E49 PolarHBondContact O-N 2.9Å; E46-E49 VanDerWaalsContact O-N 3.16Å; E46-G50 PolarHBondContact O-N 3.3Å; E46-V51 HydrophobicContact CB-CB 3.93Å; E46-V51 HydrophobicContact CB-CG1 4.4Å; E46-V51 HydrophobicContact CB-CG2 3.94Å; E46-V51 HydrophobicContact CG-CG2 4.39Å; E46-V51 VanDerWaalsContact O-CB 3.32Å; E46-V51 WeakPolarHBondContact O-CB 3.39Å; E46-V51 WeakPolarHBondContact O-CG2 3.23Å; E46-V51 PolarHBondContact O-N 3.2Å; E46-K53 WeakPolarHBondContact OE2-CE 3.47Å; E46-K53 IonicContact OE2-NZ 3.77Å; E46-K53 PolarHBondContact OE2-NZ 3.42Å
47	L	97.6	Very high	96.2	Very high	38 Å²	38	79.1 Å²	79.1	20%	0.199	40%	0.399	C	S	.	.	H	α-helix	trans	-62.1	-41.4	177.1	-72.4	170.1	0	0	0	112.3	I43 K45 E49 G50 K53 F55 V58	I43-L47 HydrophobicContact CG2-CD1 4.13Å; I43-L47 HydrophobicContact CG2-CG 4.38Å; I43-L47 WeakPolarHBondContact O-CG 3.44Å; I43-L47 PolarHBondContact O-N 2.99Å; K45-L47 VanDerWaalsContact C-N 3.32Å; K45-L47 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 2.99Å; L47-G50 PolarHBondContact O-N 3.43Å; L47-G50 VanDerWaalsContact O-N 3.09Å; L47-K53 HydrophobicContact CD2-CB 3.97Å; L47-K53 HydrophobicContact CD2-CG 3.9Å; L47-F55 HydrophobicContact CD1-CD2 4.31Å; L47-F55 HydrophobicContact CD1-CE2 4.2Å; L47-V58 HydrophobicContact CD1-CG2 4.36Å
48	R	97.1	Very high	96.4	Very high	203 Å²	203	78.5 Å²	78.5	77%	0.766	40%	0.395	S	S	*	.	H	α-helix	trans	-65.9	-29.8	175	-75.5	-174.5	-66.3	173.5	-1	112.8	E44 K45 E46 G50	E44-R48 WeakPolarHBondContact O-CG 3.48Å; E44-R48 PolarHBondContact O-N 3.42Å; E44-R48 PolarHBondContact O-NE 3.45Å; K45-R48 PolarHBondContact O-N 3.37Å; K45-R48 VanDerWaalsContact O-N 3.13Å; E46-R48 PolarHBondContact O-N 3.17Å; R48-G50 PolarHBondContact O-N 2.93Å
49	E	97.6	Very high	96.3	Very high	127 Å²	127	72.6 Å²	72.6	59%	0.593	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	0.4	174.9	-68.6	172.4	170.7	0	0	112.7	K45 E46 L47	K45-E49 WeakPolarHBondContact CE-OE1 2.99Å; K45-E49 IonicContact NZ-OE1 3.7Å; K45-E49 WeakPolarHBondContact O-CG 3.32Å; K45-E49 PolarHBondContact O-N 3.19Å; E46-E49 CarbonylContact O-C 3.31Å; E46-E49 PolarHBondContact O-N 2.9Å; E46-E49 VanDerWaalsContact O-N 3.16Å; L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 2.99Å
50	G	96.6	Very high	96.1	Very high	59 Å²	59	73.8 Å²	73.8	61%	0.608	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	12.1	175.2	0	0	0	0	0	114.9	E46 L47 R48 K52	E46-G50 PolarHBondContact O-N 3.3Å; L47-G50 PolarHBondContact O-N 3.43Å; L47-G50 VanDerWaalsContact O-N 3.09Å; R48-G50 PolarHBondContact O-N 2.93Å; G50-K52 PolarHBondContact O-N 3.23Å
51	V	97.6	Very high	95.8	Very high	63 Å²	63	73.8 Å²	73.8	38%	0.382	37%	0.374	S	S	.	.			trans	-63.1	124	173.9	179	0	0	0	0	109.3	E46 K53	E46-V51 HydrophobicContact CB-CB 3.93Å; E46-V51 HydrophobicContact CB-CG1 4.4Å; E46-V51 HydrophobicContact CB-CG2 3.94Å; E46-V51 HydrophobicContact CG-CG2 4.39Å; E46-V51 VanDerWaalsContact O-CB 3.32Å; E46-V51 WeakPolarHBondContact O-CB 3.39Å; E46-V51 WeakPolarHBondContact O-CG2 3.23Å; E46-V51 PolarHBondContact O-N 3.2Å; V51-K53 PolarHBondContact O-N 3.21Å
52	K	96.6	Very high	95.5	Very high	203 Å²	203	70.5 Å²	70.5	88%	0.883	35%	0.354	S	S	*	.			trans	-71.4	127.7	178	-65.2	-173.6	-180	-178.5	0	110.6	G50	G50-K52 PolarHBondContact O-N 3.23Å
53	K	96.1	Very high	95	Very high	59 Å²	59	67.7 Å²	67.7	26%	0.257	34%	0.342	S	S	.	.			trans	-130.2	161.7	175.3	-66.2	-69.2	-176.2	171.2	0	109.4	E46 L47 V51 F55	E46-K53 WeakPolarHBondContact OE2-CE 3.47Å; E46-K53 IonicContact OE2-NZ 3.77Å; E46-K53 PolarHBondContact OE2-NZ 3.42Å; L47-K53 HydrophobicContact CD2-CB 3.97Å; L47-K53 HydrophobicContact CD2-CG 3.9Å; V51-K53 PolarHBondContact O-N 3.21Å; K53-F55 HydrophobicContact CB-CD2 4.32Å; K53-F55 HydrophobicContact CB-CE1 4.39Å; K53-F55 HydrophobicContact CB-CE2 4.13Å; K53-F55 HydrophobicContact CB-CZ 4.17Å; K53-F55 HydrophobicContact CG-CE2 4.42Å; K53-F55 HydrophobicContact CG-CZ 4.41Å; K53-F55 PolarHBondContact O-N 3.01Å; K53-F55 VanDerWaalsContact O-N 3.08Å
54	P	94.9	Very high	94.5	Very high	100 Å²	100	67.9 Å²	67.9	65%	0.649	34%	0.343	S	S	*	.	S	Bend	trans	-66.5	-1.7	174.6	25.5	-33.4	0	0	0	114.4	E441	P54-E441 WeakPolarHBondContact CG-O 3.31Å
55	F	96.2	Very high	94.3	Very high	16 Å²	16	67.7 Å²	67.7	7%	0.07	34%	0.344	C	S	.	.	S	Bend	trans	-139.7	162.6	177.1	49.2	-94.1	0	0	0	110.1	I43 L47 K53 E57 V58 E440 E441	I43-F55 HydrophobicContact CG2-CE2 3.6Å; I43-F55 HydrophobicContact CG2-CZ 3.91Å; L47-F55 HydrophobicContact CD1-CD2 4.31Å; L47-F55 HydrophobicContact CD1-CE2 4.2Å; K53-F55 HydrophobicContact CB-CD2 4.32Å; K53-F55 HydrophobicContact CB-CE1 4.39Å; K53-F55 HydrophobicContact CB-CE2 4.13Å; K53-F55 HydrophobicContact CB-CZ 4.17Å; K53-F55 HydrophobicContact CG-CE2 4.42Å; K53-F55 HydrophobicContact CG-CZ 4.41Å; K53-F55 PolarHBondContact O-N 3.01Å; K53-F55 VanDerWaalsContact O-N 3.08Å; F55-E57 WeakPolarHBondContact CD2-O 3.4Å; F55-V58 HydrophobicContact CE2-CG2 4.43Å; F55-E440 WeakPolarHBondContact CE1-O 3.49Å; F55-E441 WeakPolarHBondContact CD1-O 3.2Å
56	T	95.4	Very high	94.1	Very high	134 Å²	134	62.4 Å²	62.4	82%	0.822	32%	0.321	S	S	*	.	S	Bend	trans	-104.7	-14.1	-175.7	52.3	0	0	0	0	114
57	E	94.9	Very high	94	Very high	89 Å²	89	63.9 Å²	63.9	42%	0.416	33%	0.328	S	S	.	.	S	Bend	trans	-145.4	157	178.6	62.1	168.6	167	0	0	111	F55 I59 K471	F55-E57 WeakPolarHBondContact CD2-O 3.4Å; E57-I59 HydrophobicContact CG-CG1 4.17Å; E57-K471 WeakPolarHBondContact OE1-CE 3.35Å; E57-K471 IonicContact OE1-NZ 3.45Å; E57-K471 PolarHBondContact OE1-NZ 3.08Å; E57-K471 IonicContact OE2-NZ 3.63Å; E57-K471 PolarHBondContact OE2-NZ 3.4Å
58	V	95	Very high	93.6	Very high	12 Å²	12	65.1 Å²	65.1	7%	0.073	34%	0.344	C	S	.	.			trans	-91.9	122.5	166.3	176.6	0	0	0	0	108.9	A40 I43 E44 L47 F55 K60 L439 G443 C445	A40-V58 HydrophobicContact CB-CG1 3.93Å; I43-V58 HydrophobicContact CB-CG2 3.97Å; I43-V58 HydrophobicContact CG2-CG2 3.54Å; E44-V58 HydrophobicContact CG-CB 3.79Å; E44-V58 HydrophobicContact CG-CG2 3.81Å; L47-V58 HydrophobicContact CD1-CG2 4.36Å; F55-V58 HydrophobicContact CE2-CG2 4.43Å; V58-K60 HydrophobicContact CG1-CG 4.5Å; V58-L439 HydrophobicContact CG1-CD1 4.14Å; V58-G443 CarbonylContact C-O 3.59Å; V58-G443 VanDerWaalsContact CA-O 3.26Å; V58-G443 WeakPolarHBondContact CA-O 3.3Å; V58-C445 HydrophobicContact CG1-CB 4.24Å
59	I	92.6	Very high	93.3	Very high	13 Å²	13	57 Å²	57	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.4	176.6	-52.6	177.1	0	0	0	109	E57 A61 G443 C445 V475	E57-I59 HydrophobicContact CG-CG1 4.17Å; I59-A61 PolarHBondContact O-N 3.33Å; I59-G443 PolarHBondContact N-O 3.34Å; I59-C445 PolarHBondContact O-N 3.14Å; I59-V475 HydrophobicContact CB-CG2 4.35Å; I59-V475 HydrophobicContact CD1-CG2 3.71Å; I59-V475 HydrophobicContact CG2-CG2 3.66Å
60	K	90.3	Very high	93	Very high	64 Å²	64	53.5 Å²	53.5	28%	0.278	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	79.9	-179.2	-72.6	177.7	176.2	154.7	0	112.1	E44 V58 N62 M69	E44-K60 WeakPolarHBondContact OE1-CE 3.48Å; E44-K60 IonicContact OE1-NZ 3.9Å; E44-K60 PolarHBondContact OE1-NZ 3.3Å; E44-K60 WeakPolarHBondContact OE2-CE 3.4Å; E44-K60 IonicContact OE2-NZ 3.61Å; E44-K60 PolarHBondContact OE2-NZ 2.99Å; V58-K60 HydrophobicContact CG1-CG 4.5Å; K60-N62 WeakPolarHBondContact CB-OD1 3.47Å; K60-N62 PolarHBondContact O-N 3.47Å; K60-M69 HydrophobicContact CB-CE 3.85Å; K60-M69 VanDerWaalsContact O-CE 3.28Å; K60-M69 WeakPolarHBondContact O-CE 3.44Å; K60-M69 VanDerWaalsContact O-SD 3.35Å
61	A	91.2	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.			trans	-91	21	173.3	0	0	0	0	0	113.1	I59 C445 L446 M463 T464	I59-A61 PolarHBondContact O-N 3.33Å; A61-C445 CarbonylContact C-O 3.56Å; A61-C445 VanDerWaalsContact C-O 3.26Å; A61-C445 WeakPolarHBondContact CA-O 3.35Å; A61-C445 PolarHBondContact N-O 2.87Å; A61-C445 VanDerWaalsContact N-O 3.1Å; A61-L446 HydrophobicContact CB-CD2 3.91Å; A61-M463 HydrophobicContact CB-CG 3.89Å; A61-T464 HydrophobicContact CB-CG2 4.37Å; A61-T464 PolarHBondContact O-N 2.97Å; A61-T464 VanDerWaalsContact O-N 3.08Å
62	N	88.6	Confident	92.7	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.032	31%	0.311	C	S	.	.	S	Bend	trans	-99.4	-16.7	-172.9	67.9	-61.2	0	0	0	114.6	V37 K60 C445 V447 R462	V37-N62 VanDerWaalsContact CG2-ND2 3.35Å; V37-N62 WeakPolarHBondContact CG2-ND2 3.36Å; K60-N62 WeakPolarHBondContact CB-OD1 3.47Å; K60-N62 PolarHBondContact O-N 3.47Å; N62-C445 WeakPolarHBondContact CB-O 3.47Å; N62-C445 PolarHBondContact N-O 2.89Å; N62-C445 VanDerWaalsContact N-O 3.15Å; N62-V447 HydrophobicContact CB-CG2 3.66Å; N62-V447 WeakPolarHBondContact O-CG2 3.44Å; N62-R462 PolarHBondContact O-NH2 2.78Å
63	I	86.9	Confident	92.7	Very high	44 Å²	44	52.1 Å²	52.1	23%	0.226	29%	0.285	C	S	.	.	S	Bend	trans	-128.1	141.2	-173.5	-166.3	167.5	0	0	0	111.9	D65	I63-D65 VanDerWaalsContact C-N 3.25Å; I63-D65 HydrophobicContact CG1-CB 4.4Å; I63-D65 HydrophobicContact CG2-CB 4.08Å; I63-D65 PolarHBondContact O-N 3.4Å; I63-D65 VanDerWaalsContact O-N 3.11Å
64	G	87.6	Confident	92.8	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.031	27%	0.274	C	S	.	.			trans	-85.9	64.9	173.7	0	0	0	0	0	112.1	K309 Y408	G64-K309 PolarHBondContact O-NZ 3.18Å; G64-Y408 VanDerWaalsContact CA-OH 3.23Å; G64-Y408 WeakPolarHBondContact CA-OH 3.46Å; G64-Y408 PolarHBondContact N-OH 3.38Å
65	D	92.3	Very high	93	Very high	48 Å²	48	47.5 Å²	47.5	26%	0.257	26%	0.26	S	S	.	.			trans	-112	97.4	174.7	-171.4	-27.6	0	0	0	108.5	I63 Q67 A68 M69	I63-D65 VanDerWaalsContact C-N 3.25Å; I63-D65 HydrophobicContact CG1-CB 4.4Å; I63-D65 HydrophobicContact CG2-CB 4.08Å; I63-D65 PolarHBondContact O-N 3.4Å; I63-D65 VanDerWaalsContact O-N 3.11Å; D65-Q67 PolarHBondContact O-N 3.09Å; D65-A68 HydrophobicContact CB-CB 3.91Å; D65-A68 VanDerWaalsContact CG-CB 3.45Å; D65-A68 PolarHBondContact O-N 2.91Å; D65-A68 WeakPolarHBondContact OD1-CB 3.4Å; D65-A68 PolarHBondContact OD1-N 3.26Å; D65-M69 WeakPolarHBondContact O-CG 3.39Å; D65-M69 PolarHBondContact O-N 3.41Å
66	A	93.3	Very high	93.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-44.8	-167.4	0	0	0	0	0	112.6	M69 G70 Q71 L466	A66-M69 CarbonylContact O-C 3.59Å; A66-M69 PolarHBondContact O-N 3.44Å; A66-G70 PolarHBondContact O-N 2.67Å; A66-Q71 HydrophobicContact CB-CB 3.92Å; A66-Q71 HydrophobicContact CB-CG 4.37Å; A66-Q71 VanDerWaalsContact O-CB 3.23Å; A66-Q71 WeakPolarHBondContact O-CB 3.35Å; A66-Q71 PolarHBondContact O-N 3.19Å; A66-L466 HydrophobicContact CB-CD1 4.49Å; A66-L466 HydrophobicContact CB-CD2 3.89Å
67	Q	94.8	Very high	93.3	Very high	60 Å²	60	40.5 Å²	40.5	28%	0.28	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-35.5	-177.1	-68.3	176	23.5	0	0	112	D65 M69 G70 R78 G313 E314	D65-Q67 PolarHBondContact O-N 3.09Å; Q67-M69 PolarHBondContact O-N 3.01Å; Q67-M69 VanDerWaalsContact O-N 3.17Å; Q67-G70 PolarHBondContact O-N 3.22Å; Q67-R78 VanDerWaalsContact CD-NH2 3.34Å; Q67-R78 VanDerWaalsContact NE2-NH2 3.12Å; Q67-G313 PolarHBondContact NE2-O 3.37Å; Q67-E314 PolarHBondContact NE2-OE1 3.22Å; Q67-E314 VanDerWaalsContact NE2-OE1 3.13Å; Q67-E314 PolarHBondContact NE2-OE2 2.94Å
68	A	91.1	Very high	93.5	Very high	65 Å²	65	40.2 Å²	40.2	54%	0.537	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.4	172	0	0	0	0	0	112.6	D65	D65-A68 HydrophobicContact CB-CB 3.91Å; D65-A68 VanDerWaalsContact CG-CB 3.45Å; D65-A68 PolarHBondContact O-N 2.91Å; D65-A68 WeakPolarHBondContact OD1-CB 3.4Å; D65-A68 PolarHBondContact OD1-N 3.26Å
69	M	89.8	Confident	93.6	Very high	31 Å²	31	41.7 Å²	41.7	15%	0.153	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	9.8	175.9	-63.3	-59.4	126.3	0	0	113.7	K60 D65 A66 Q67 L466 P468	K60-M69 HydrophobicContact CB-CE 3.85Å; K60-M69 VanDerWaalsContact O-CE 3.28Å; K60-M69 WeakPolarHBondContact O-CE 3.44Å; K60-M69 VanDerWaalsContact O-SD 3.35Å; D65-M69 WeakPolarHBondContact O-CG 3.39Å; D65-M69 PolarHBondContact O-N 3.41Å; A66-M69 CarbonylContact O-C 3.59Å; A66-M69 PolarHBondContact O-N 3.44Å; Q67-M69 PolarHBondContact O-N 3.01Å; Q67-M69 VanDerWaalsContact O-N 3.17Å; M69-L466 HydrophobicContact CB-CB 3.72Å; M69-L466 HydrophobicContact CG-CB 3.81Å; M69-L466 HydrophobicContact CG-CD1 4.38Å; M69-P468 WeakPolarHBondContact O-CD 3.24Å
70	G	90.4	Very high	93.9	Very high	54 Å²	54	41 Å²	41	56%	0.557	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.8	7.2	172	0	0	0	0	0	115.8	A66 Q67 R72	A66-G70 PolarHBondContact O-N 2.67Å; Q67-G70 PolarHBondContact O-N 3.22Å; G70-R72 PolarHBondContact O-N 2.97Å
71	Q	93.9	Very high	94.3	Very high	29 Å²	29	38.4 Å²	38.4	14%	0.136	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-61.5	129.2	166.7	-175.7	169	-54.5	0	0	109.1	A66 C310 Y311 V377	A66-Q71 HydrophobicContact CB-CB 3.92Å; A66-Q71 HydrophobicContact CB-CG 4.37Å; A66-Q71 VanDerWaalsContact O-CB 3.23Å; A66-Q71 WeakPolarHBondContact O-CB 3.35Å; A66-Q71 PolarHBondContact O-N 3.19Å; Q71-C310 PolarHBondContact NE2-O 3.04Å; Q71-Y311 PolarHBondContact NE2-O 2.95Å; Q71-V377 HydrophobicContact CG-CG1 4.29Å; Q71-V377 HydrophobicContact CG-CG2 4.38Å
72	R	95.3	Very high	94.7	Very high	215 Å²	215	40.2 Å²	40.2	81%	0.811	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-73.1	140.3	175.6	-65.4	-177	-178.1	-177.6	0.5	109.7	G70	G70-R72 PolarHBondContact O-N 2.97Å
73	P	97.1	Very high	95.2	Very high	53 Å²	53	39.9 Å²	39.9	34%	0.344	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-65.9	151.3	172.3	29.6	-34.7	0	0	0	110.8	R78	P73-R78 HydrophobicContact CB-CG 3.93Å; P73-R78 VanDerWaalsContact CB-NE 3.28Å; P73-R78 HydrophobicContact CG-CG 4.27Å
74	I	98.3	Very high	95.7	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.1	128.8	175.2	-58.3	-60.1	0	0	0	109.1	F76 F77 R78 Y311 F370 E373	I74-F76 HydrophobicContact CG2-CB 4.47Å; I74-F76 PolarHBondContact O-N 3.12Å; I74-F77 HydrophobicContact CB-CD2 3.51Å; I74-F77 HydrophobicContact CB-CE2 3.75Å; I74-F77 HydrophobicContact CB-CG 4.04Å; I74-F77 HydrophobicContact CG1-CD2 3.96Å; I74-F77 HydrophobicContact CG1-CE2 3.76Å; I74-F77 HydrophobicContact CG2-CD1 4.4Å; I74-F77 HydrophobicContact CG2-CD2 3.98Å; I74-F77 HydrophobicContact CG2-CE1 4.49Å; I74-F77 HydrophobicContact CG2-CE2 4.01Å; I74-F77 HydrophobicContact CG2-CG 4.15Å; I74-F77 HydrophobicContact CG2-CZ 4.31Å; I74-F77 PolarHBondContact O-N 3.36Å; I74-R78 PolarHBondContact O-N 2.96Å; I74-Y311 HydrophobicContact CD1-CD2 4.37Å; I74-Y311 HydrophobicContact CG1-CD2 4.42Å; I74-F370 HydrophobicContact CG2-CD2 3.63Å; I74-F370 HydrophobicContact CG2-CE2 3.85Å; I74-E373 HydrophobicContact CD1-CB 3.82Å; I74-E373 WeakPolarHBondContact CG2-OE2 3.47Å
75	T	98.6	Very high	96.2	Very high	59 Å²	59	41.9 Å²	41.9	36%	0.362	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-45.3	-171	-64.2	0	0	0	0	111.5	F77 R78 Q79 E373	T75-F77 VanDerWaalsContact C-N 3.31Å; T75-F77 PolarHBondContact O-N 3.27Å; T75-R78 PolarHBondContact O-N 3.13Å; T75-R78 VanDerWaalsContact O-N 3.12Å; T75-Q79 HydrophobicContact CG2-CG 4.21Å; T75-Q79 WeakPolarHBondContact O-CG 3.15Å; T75-Q79 PolarHBondContact O-N 3.19Å; T75-E373 VanDerWaalsContact CB-OE1 3.29Å; T75-E373 WeakPolarHBondContact CB-OE1 3.49Å; T75-E373 PolarHBondContact N-OE2 2.97Å; T75-E373 PolarHBondContact OG1-OE1 3.07Å
76	F	98.7	Very high	96.5	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-41.4	-179	-174.7	-107.9	0	0	0	112.4	I74 R78 Q79 V80 A99 R102 L355 P360 S366 F370	I74-F76 HydrophobicContact CG2-CB 4.47Å; I74-F76 PolarHBondContact O-N 3.12Å; F76-R78 VanDerWaalsContact C-N 3.34Å; F76-R78 PolarHBondContact O-N 3.18Å; F76-Q79 PolarHBondContact O-N 3.34Å; F76-V80 HydrophobicContact CE1-CG2 4.16Å; F76-V80 HydrophobicContact CE2-CG2 4.22Å; F76-V80 HydrophobicContact CZ-CG2 4.01Å; F76-V80 WeakPolarHBondContact O-CG2 3.5Å; F76-V80 PolarHBondContact O-N 3.31Å; F76-V80 VanDerWaalsContact O-N 3.1Å; F76-A99 HydrophobicContact CD2-CB 4.23Å; F76-A99 HydrophobicContact CE2-CB 3.85Å; F76-R102 HydrophobicContact CE1-CG 4.32Å; F76-R102 HydrophobicContact CZ-CG 3.76Å; F76-L355 HydrophobicContact CE1-CD2 4.14Å; F76-P360 HydrophobicContact CD1-CG 3.62Å; F76-P360 HydrophobicContact CD2-CG 3.89Å; F76-P360 HydrophobicContact CE1-CG 3.65Å; F76-P360 HydrophobicContact CE2-CG 3.89Å; F76-P360 HydrophobicContact CG-CG 3.74Å; F76-P360 HydrophobicContact CZ-CG 3.77Å; F76-S366 VanDerWaalsContact CD2-CB 3.47Å; F76-F370 HydrophobicContact CB-CD2 4.31Å
77	F	98.6	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-42.5	177.7	-59.8	-19.6	0	0	0	111.9	I74 T75 L81 Y311 M312 E314 L352 L355 V356 F370	I74-F77 HydrophobicContact CB-CD2 3.51Å; I74-F77 HydrophobicContact CB-CE2 3.75Å; I74-F77 HydrophobicContact CB-CG 4.04Å; I74-F77 HydrophobicContact CG1-CD2 3.96Å; I74-F77 HydrophobicContact CG1-CE2 3.76Å; I74-F77 HydrophobicContact CG2-CD1 4.4Å; I74-F77 HydrophobicContact CG2-CD2 3.98Å; I74-F77 HydrophobicContact CG2-CE1 4.49Å; I74-F77 HydrophobicContact CG2-CE2 4.01Å; I74-F77 HydrophobicContact CG2-CG 4.15Å; I74-F77 HydrophobicContact CG2-CZ 4.31Å; I74-F77 PolarHBondContact O-N 3.36Å; T75-F77 VanDerWaalsContact C-N 3.31Å; T75-F77 PolarHBondContact O-N 3.27Å; F77-L81 WeakPolarHBondContact O-CB 3.4Å; F77-L81 VanDerWaalsContact O-CG 3.29Å; F77-L81 WeakPolarHBondContact O-CG 3.45Å; F77-L81 PolarHBondContact O-N 3.34Å; F77-Y311 HydrophobicContact CZ-CE2 4.27Å; F77-M312 HydrophobicContact CD2-CB 4.32Å; F77-M312 HydrophobicContact CE2-CB 3.55Å; F77-M312 HydrophobicContact CZ-CB 4.36Å; F77-E314 HydrophobicContact CD2-CG 4.47Å; F77-L352 HydrophobicContact CB-CD1 3.79Å; F77-L352 HydrophobicContact CD1-CD1 4.46Å; F77-L352 HydrophobicContact CD2-CD1 4Å; F77-L352 HydrophobicContact CG-CD1 3.84Å; F77-L355 HydrophobicContact CB-CD1 4.35Å; F77-L355 HydrophobicContact CD1-CB 3.54Å; F77-L355 HydrophobicContact CD1-CD1 4Å; F77-L355 HydrophobicContact CD1-CG 4.41Å; F77-L355 HydrophobicContact CE1-CB 3.68Å; F77-V356 HydrophobicContact CE2-CG2 4.41Å; F77-V356 HydrophobicContact CZ-CG2 4.16Å; F77-F370 AromaticContact CE1-CE2 3.77Å; F77-F370 HydrophobicContact CE1-CE2 3.77Å; F77-F370 AromaticContact CZ-CE2 3.69Å; F77-F370 HydrophobicContact CZ-CE2 3.69Å; F77-F370 HydrophobicContact CZ-CZ 4.35Å
78	R	98.4	Very high	96.9	Very high	84 Å²	84	51.5 Å²	51.5	32%	0.317	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-38.2	178.6	-60.9	-59.4	172.5	143.2	3.4	112.1	Q67 P73 I74 T75 F76 A82 E314	Q67-R78 VanDerWaalsContact CD-NH2 3.34Å; Q67-R78 VanDerWaalsContact NE2-NH2 3.12Å; P73-R78 HydrophobicContact CB-CG 3.93Å; P73-R78 VanDerWaalsContact CB-NE 3.28Å; P73-R78 HydrophobicContact CG-CG 4.27Å; I74-R78 PolarHBondContact O-N 2.96Å; T75-R78 PolarHBondContact O-N 3.13Å; T75-R78 VanDerWaalsContact O-N 3.12Å; F76-R78 VanDerWaalsContact C-N 3.34Å; F76-R78 PolarHBondContact O-N 3.18Å; R78-A82 VanDerWaalsContact O-CB 3.23Å; R78-A82 WeakPolarHBondContact O-CB 3.44Å; R78-A82 PolarHBondContact O-N 3.27Å; R78-E314 IonicContact CZ-OE1 3.59Å; R78-E314 IonicContact CZ-OE2 2.63Å; R78-E314 IonicContact NE-OE1 2.98Å; R78-E314 PolarHBondContact NE-OE1 2.84Å; R78-E314 IonicContact NE-OE2 2.61Å; R78-E314 VanDerWaalsContact NH2-CD 3.31Å; R78-E314 IonicContact NH2-OE1 3.11Å; R78-E314 PolarHBondContact NH2-OE1 2.7Å; R78-E314 IonicContact NH2-OE2 3.95Å; R78-E314 PolarHBondContact NH2-OE2 3.19Å
79	Q	98.7	Very high	97.3	Very high	42 Å²	42	50.3 Å²	50.3	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-52.9	176.9	-75.9	171.7	-29.6	0	0	111.5	T75 F76 L81 A82 L83 F95 A99	T75-Q79 HydrophobicContact CG2-CG 4.21Å; T75-Q79 WeakPolarHBondContact O-CG 3.15Å; T75-Q79 PolarHBondContact O-N 3.19Å; F76-Q79 PolarHBondContact O-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.97Å; Q79-A82 PolarHBondContact O-N 3.02Å; Q79-L83 WeakPolarHBondContact O-CD1 3.4Å; Q79-L83 VanDerWaalsContact O-CG 3.28Å; Q79-L83 WeakPolarHBondContact O-CG 3.39Å; Q79-L83 PolarHBondContact O-N 3.34Å; Q79-F95 HydrophobicContact CB-CD1 3.93Å; Q79-F95 HydrophobicContact CB-CE1 4.13Å; Q79-F95 HydrophobicContact CG-CD1 4.02Å; Q79-F95 HydrophobicContact CG-CE1 4.13Å; Q79-A99 HydrophobicContact CB-CB 4.17Å
80	V	98.8	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-43.9	-179.1	-179.8	0	0	0	0	111.5	F76 A82 L83 C84 A99 R102 A103 I106 L355	F76-V80 HydrophobicContact CE1-CG2 4.16Å; F76-V80 HydrophobicContact CE2-CG2 4.22Å; F76-V80 HydrophobicContact CZ-CG2 4.01Å; F76-V80 WeakPolarHBondContact O-CG2 3.5Å; F76-V80 PolarHBondContact O-N 3.31Å; F76-V80 VanDerWaalsContact O-N 3.1Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.92Å; V80-L83 WeakPolarHBondContact O-CB 3.27Å; V80-L83 PolarHBondContact O-N 3.06Å; V80-C84 PolarHBondContact O-N 3.41Å; V80-C84 PolarHBondContact O-SG 3.42Å; V80-A99 HydrophobicContact CG2-CB 3.79Å; V80-R102 HydrophobicContact CG1-CB 3.91Å; V80-R102 HydrophobicContact CG2-CB 3.92Å; V80-R102 HydrophobicContact CG2-CG 4.46Å; V80-A103 HydrophobicContact CG1-CB 4.2Å; V80-I106 HydrophobicContact CG1-CD1 4.09Å; V80-L355 HydrophobicContact CB-CD1 3.63Å; V80-L355 HydrophobicContact CB-CD2 4.12Å; V80-L355 HydrophobicContact CG1-CD1 3.94Å; V80-L355 HydrophobicContact CG1-CD2 3.86Å; V80-L355 HydrophobicContact CG1-CG 4.46Å; V80-L355 HydrophobicContact CG2-CD1 4.13Å; V80-L355 HydrophobicContact CG2-CD2 4.02Å
81	L	98.5	Very high	98	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-35.6	178.2	-71.8	174.4	0	0	0	112.7	F77 Q79 C84 S85 F317 A351 L352	F77-L81 WeakPolarHBondContact O-CB 3.4Å; F77-L81 VanDerWaalsContact O-CG 3.29Å; F77-L81 WeakPolarHBondContact O-CG 3.45Å; F77-L81 PolarHBondContact O-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.97Å; L81-C84 PolarHBondContact O-N 2.83Å; L81-S85 VanDerWaalsContact O-CB 3.29Å; L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-OG 3.1Å; L81-F317 HydrophobicContact CD1-CD1 4.11Å; L81-F317 HydrophobicContact CD1-CE1 3.63Å; L81-F317 HydrophobicContact CD1-CE2 4.17Å; L81-F317 HydrophobicContact CD1-CZ 3.65Å; L81-A351 HydrophobicContact CD2-CB 4.06Å; L81-L352 HydrophobicContact CD1-CB 4.3Å; L81-L352 HydrophobicContact CD1-CD1 4.12Å; L81-L352 HydrophobicContact CD2-CB 4.42Å
82	A	98.6	Very high	98.2	Very high	37 Å²	37	55.6 Å²	55.6	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-44.9	173.7	0	0	0	0	0	111.3	R78 Q79 V80 C84 S85 Y86 F95	R78-A82 VanDerWaalsContact O-CB 3.23Å; R78-A82 WeakPolarHBondContact O-CB 3.44Å; R78-A82 PolarHBondContact O-N 3.27Å; Q79-A82 PolarHBondContact O-N 3.02Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.92Å; A82-C84 PolarHBondContact O-N 2.92Å; A82-S85 PolarHBondContact O-N 3Å; A82-Y86 PolarHBondContact O-N 3.45Å; A82-F95 HydrophobicContact CB-CE1 4.39Å
83	L	98.8	Very high	98.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-42.1	175.6	-68.3	162.9	0	0	0	111.9	Q79 V80 S85 Y86 P87 L89 L90 F95 A99 K100 A103	Q79-L83 WeakPolarHBondContact O-CD1 3.4Å; Q79-L83 VanDerWaalsContact O-CG 3.28Å; Q79-L83 WeakPolarHBondContact O-CG 3.39Å; Q79-L83 PolarHBondContact O-N 3.34Å; V80-L83 WeakPolarHBondContact O-CB 3.27Å; V80-L83 PolarHBondContact O-N 3.06Å; L83-S85 VanDerWaalsContact C-N 3.32Å; L83-S85 PolarHBondContact O-N 2.66Å; L83-Y86 CarbonylContact O-C 3.3Å; L83-Y86 VanDerWaalsContact O-C 3.3Å; L83-P87 VanDerWaalsContact O-CA 3.27Å; L83-P87 WeakPolarHBondContact O-CA 3.42Å; L83-L89 VanDerWaalsContact CD2-C 3.43Å; L83-L89 HydrophobicContact CD2-CB 3.71Å; L83-L89 WeakPolarHBondContact CD2-O 3.24Å; L83-L90 HydrophobicContact CD2-CD2 4.16Å; L83-L90 HydrophobicContact CD2-CG 4.4Å; L83-F95 HydrophobicContact CD1-CB 4.21Å; L83-F95 HydrophobicContact CD1-CD1 3.78Å; L83-F95 HydrophobicContact CD1-CE1 4.48Å; L83-F95 HydrophobicContact CD1-CG 4.17Å; L83-F95 HydrophobicContact CD2-CB 4.25Å; L83-F95 HydrophobicContact CD2-CD1 3.98Å; L83-F95 HydrophobicContact CD2-CD2 4.15Å; L83-F95 HydrophobicContact CD2-CE1 4.36Å; L83-F95 HydrophobicContact CD2-CG 3.86Å; L83-F95 HydrophobicContact CG-CD1 3.77Å; L83-F95 HydrophobicContact CG-CE1 4.06Å; L83-F95 HydrophobicContact CG-CG 4.17Å; L83-A99 HydrophobicContact CD1-CB 4.05Å; L83-K100 HydrophobicContact CD1-CG 4.15Å; L83-K100 HydrophobicContact CD2-CG 4.49Å; L83-A103 HydrophobicContact CB-CB 3.47Å; L83-A103 VanDerWaalsContact CB-CB 3.47Å; L83-A103 HydrophobicContact CD1-CB 4.14Å; L83-A103 HydrophobicContact CG-CB 4.43Å
84	C	98.6	Very high	98.2	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.02	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-33.6	175.5	-66.5	0	0	0	0	112.6	V80 L81 A82 L107 I115	V80-C84 PolarHBondContact O-N 3.41Å; V80-C84 PolarHBondContact O-SG 3.42Å; L81-C84 PolarHBondContact O-N 2.83Å; A82-C84 PolarHBondContact O-N 2.92Å; C84-L107 HydrophobicContact CB-CD2 4.47Å; C84-I115 HydrophobicContact CB-CD1 3.97Å; C84-I115 HydrophobicContact CB-CG2 3.92Å; C84-I115 WeakPolarHBondContact O-CD1 3.49Å
85	S	98.4	Very high	98.2	Very high	86 Å²	86	60 Å²	60	60%	0.601	30%	0.303	S	S	*	.	H	α-helix	trans	-80.2	-31	-178.9	-56.6	0	0	0	0	112.5	L81 A82 L83	L81-S85 VanDerWaalsContact O-CB 3.29Å; L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-OG 3.1Å; A82-S85 PolarHBondContact O-N 3Å; L83-S85 VanDerWaalsContact C-N 3.32Å; L83-S85 PolarHBondContact O-N 2.66Å
86	Y	98.4	Very high	98.2	Very high	117 Å²	117	58.7 Å²	58.7	46%	0.459	30%	0.295	S	S	.	.	S	Bend	trans	-136	82.2	177.8	-174.3	-154.2	0	0	0	110.6	A82 L83 E88 L89	A82-Y86 PolarHBondContact O-N 3.45Å; L83-Y86 CarbonylContact O-C 3.3Å; L83-Y86 VanDerWaalsContact O-C 3.3Å; Y86-E88 HydrophobicContact CD2-CB 4.14Å; Y86-E88 HydrophobicContact CD2-CG 4.36Å; Y86-E88 HydrophobicContact CE2-CB 3.59Å; Y86-E88 VanDerWaalsContact CE2-CD 3.43Å; Y86-E88 HydrophobicContact CE2-CG 3.69Å; Y86-E88 VanDerWaalsContact CE2-OE2 3.3Å; Y86-E88 WeakPolarHBondContact CE2-OE2 3.32Å; Y86-E88 VanDerWaalsContact CZ-OE2 3.28Å; Y86-E88 PolarHBondContact O-N 2.94Å; Y86-E88 VanDerWaalsContact O-N 3.09Å; Y86-E88 PolarHBondContact OH-OE2 3.26Å; Y86-L89 HydrophobicContact CD1-CD1 3.8Å; Y86-L89 HydrophobicContact CD1-CD2 4.04Å; Y86-L89 HydrophobicContact CD1-CG 3.59Å; Y86-L89 HydrophobicContact CE1-CD2 4.16Å; Y86-L89 HydrophobicContact CE1-CG 4.15Å; Y86-L89 HydrophobicContact CG-CD1 4.33Å; Y86-L89 HydrophobicContact CG-CG 4.14Å; Y86-L89 WeakPolarHBondContact O-CB 3.36Å; Y86-L89 WeakPolarHBondContact O-CG 3.33Å; Y86-L89 PolarHBondContact O-N 3.44Å
87	P	98.2	Very high	98.2	Very high	56 Å²	56	62.5 Å²	62.5	36%	0.364	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-60.8	-20	-171.7	-28.4	37.2	0	0	0	116.2	L83 L89 L90 L107	L83-P87 VanDerWaalsContact O-CA 3.27Å; L83-P87 WeakPolarHBondContact O-CA 3.42Å; P87-L89 PolarHBondContact O-N 3.09Å; P87-L89 VanDerWaalsContact O-N 3.12Å; P87-L90 HydrophobicContact CB-CD1 4.33Å; P87-L90 VanDerWaalsContact O-CB 3.26Å; P87-L90 WeakPolarHBondContact O-CB 3.34Å; P87-L90 WeakPolarHBondContact O-CD1 3.4Å; P87-L90 VanDerWaalsContact O-CG 3.27Å; P87-L90 WeakPolarHBondContact O-CG 3.14Å; P87-L90 PolarHBondContact O-N 3.4Å; P87-L107 HydrophobicContact CB-CD1 4.08Å; P87-L107 HydrophobicContact CG-CD1 3.97Å; P87-L107 HydrophobicContact CG-CD2 4.33Å
88	E	97.9	Very high	98.2	Very high	137 Å²	137	62.6 Å²	62.6	64%	0.64	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-58.5	-24	173.4	-65.3	178.8	-166.1	0	0	112.4	Y86 L90 E91	Y86-E88 HydrophobicContact CD2-CB 4.14Å; Y86-E88 HydrophobicContact CD2-CG 4.36Å; Y86-E88 HydrophobicContact CE2-CB 3.59Å; Y86-E88 VanDerWaalsContact CE2-CD 3.43Å; Y86-E88 HydrophobicContact CE2-CG 3.69Å; Y86-E88 VanDerWaalsContact CE2-OE2 3.3Å; Y86-E88 WeakPolarHBondContact CE2-OE2 3.32Å; Y86-E88 VanDerWaalsContact CZ-OE2 3.28Å; Y86-E88 PolarHBondContact O-N 2.94Å; Y86-E88 VanDerWaalsContact O-N 3.09Å; Y86-E88 PolarHBondContact OH-OE2 3.26Å; E88-L90 PolarHBondContact O-N 2.88Å; E88-E91 PolarHBondContact O-N 3.49Å
89	L	98.4	Very high	98.2	Very high	39 Å²	39	58.6 Å²	58.6	20%	0.204	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-68.4	-10.2	175.2	-63.9	178.3	0	0	0	113.8	L83 Y86 P87 E91 D92 F95	L83-L89 VanDerWaalsContact CD2-C 3.43Å; L83-L89 HydrophobicContact CD2-CB 3.71Å; L83-L89 WeakPolarHBondContact CD2-O 3.24Å; Y86-L89 HydrophobicContact CD1-CD1 3.8Å; Y86-L89 HydrophobicContact CD1-CD2 4.04Å; Y86-L89 HydrophobicContact CD1-CG 3.59Å; Y86-L89 HydrophobicContact CE1-CD2 4.16Å; Y86-L89 HydrophobicContact CE1-CG 4.15Å; Y86-L89 HydrophobicContact CG-CD1 4.33Å; Y86-L89 HydrophobicContact CG-CG 4.14Å; Y86-L89 WeakPolarHBondContact O-CB 3.36Å; Y86-L89 WeakPolarHBondContact O-CG 3.33Å; Y86-L89 PolarHBondContact O-N 3.44Å; P87-L89 PolarHBondContact O-N 3.09Å; P87-L89 VanDerWaalsContact O-N 3.12Å; L89-E91 PolarHBondContact O-N 3.19Å; L89-D92 WeakPolarHBondContact O-CB 3.47Å; L89-D92 PolarHBondContact O-N 3.35Å; L89-F95 HydrophobicContact CB-CE2 4.07Å; L89-F95 HydrophobicContact CD1-CE2 4.19Å; L89-F95 HydrophobicContact CD1-CZ 4.02Å; L89-F95 HydrophobicContact CD2-CE2 4.36Å; L89-F95 HydrophobicContact CG-CE2 4.45Å
90	L	98.2	Very high	98.2	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.115	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.1	173.1	-72.6	168	0	0	0	112.2	L83 P87 E88 K100 A103 R104 L107	L83-L90 HydrophobicContact CD2-CD2 4.16Å; L83-L90 HydrophobicContact CD2-CG 4.4Å; P87-L90 HydrophobicContact CB-CD1 4.33Å; P87-L90 VanDerWaalsContact O-CB 3.26Å; P87-L90 WeakPolarHBondContact O-CB 3.34Å; P87-L90 WeakPolarHBondContact O-CD1 3.4Å; P87-L90 VanDerWaalsContact O-CG 3.27Å; P87-L90 WeakPolarHBondContact O-CG 3.14Å; P87-L90 PolarHBondContact O-N 3.4Å; E88-L90 PolarHBondContact O-N 2.88Å; L90-K100 HydrophobicContact CD2-CB 3.98Å; L90-K100 HydrophobicContact CD2-CG 4.25Å; L90-K100 VanDerWaalsContact O-CD 3.32Å; L90-K100 WeakPolarHBondContact O-CD 3.35Å; L90-K100 WeakPolarHBondContact O-CE 3.19Å; L90-K100 PolarHBondContact O-NZ 3.02Å; L90-A103 HydrophobicContact CD2-CB 4.12Å; L90-R104 HydrophobicContact CD1-CG 4.06Å; L90-R104 HydrophobicContact CD2-CG 3.9Å; L90-L107 HydrophobicContact CD1-CD1 4.26Å
91	E	97.9	Very high	98.2	Very high	154 Å²	154	61.7 Å²	61.7	72%	0.72	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-85.2	-8.4	176.4	-57.2	-53.2	127.4	0	0	112.9	E88 L89 N93	E88-E91 PolarHBondContact O-N 3.49Å; L89-E91 PolarHBondContact O-N 3.19Å; E91-N93 PolarHBondContact O-N 3.03Å
92	D	97.6	Very high	98.2	Very high	49 Å²	49	62.2 Å²	62.2	26%	0.262	31%	0.314	S	S	.	.			trans	-78.2	124.2	-179.4	-171.2	-26.1	0	0	0	111	L89 K94 F95 K100	L89-D92 WeakPolarHBondContact O-CB 3.47Å; L89-D92 PolarHBondContact O-N 3.35Å; D92-K94 PolarHBondContact O-N 2.99Å; D92-K94 VanDerWaalsContact OD1-CB 3.26Å; D92-K94 WeakPolarHBondContact OD1-CB 3.29Å; D92-K94 VanDerWaalsContact OD1-CG 3.26Å; D92-K94 WeakPolarHBondContact OD1-CG 3.25Å; D92-K94 PolarHBondContact OD1-N 2.9Å; D92-F95 HydrophobicContact CB-CD2 4.04Å; D92-F95 HydrophobicContact CB-CE2 4.38Å; D92-F95 PolarHBondContact O-N 3.25Å; D92-K100 WeakPolarHBondContact O-CE 3.27Å; D92-K100 PolarHBondContact O-NZ 3.42Å
93	N	96.3	Very high	98.2	Very high	152 Å²	152	60.5 Å²	60.5	81%	0.813	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.8	-179.6	-66.1	-28.4	0	0	0	114.2	E91 F95	E91-N93 PolarHBondContact O-N 3.03Å; N93-F95 VanDerWaalsContact C-N 3.34Å
94	K	96.9	Very high	98.2	Very high	174 Å²	174	64.4 Å²	64.4	76%	0.757	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.4	176.7	-66.1	171.7	-173.5	167.3	0	113.5	D92	D92-K94 PolarHBondContact O-N 2.99Å; D92-K94 VanDerWaalsContact OD1-CB 3.26Å; D92-K94 WeakPolarHBondContact OD1-CB 3.29Å; D92-K94 VanDerWaalsContact OD1-CG 3.26Å; D92-K94 WeakPolarHBondContact OD1-CG 3.25Å; D92-K94 PolarHBondContact OD1-N 2.9Å
95	F	98.3	Very high	98.2	Very high	38 Å²	38	67.9 Å²	67.9	17%	0.167	33%	0.327	C	S	.	.	S	Bend	trans	-91.6	135.1	178.1	-70.6	-94.2	0	0	0	110.6	Q79 A82 L83 L89 D92 N93 K100	Q79-F95 HydrophobicContact CB-CD1 3.93Å; Q79-F95 HydrophobicContact CB-CE1 4.13Å; Q79-F95 HydrophobicContact CG-CD1 4.02Å; Q79-F95 HydrophobicContact CG-CE1 4.13Å; A82-F95 HydrophobicContact CB-CE1 4.39Å; L83-F95 HydrophobicContact CD1-CB 4.21Å; L83-F95 HydrophobicContact CD1-CD1 3.78Å; L83-F95 HydrophobicContact CD1-CE1 4.48Å; L83-F95 HydrophobicContact CD1-CG 4.17Å; L83-F95 HydrophobicContact CD2-CB 4.25Å; L83-F95 HydrophobicContact CD2-CD1 3.98Å; L83-F95 HydrophobicContact CD2-CD2 4.15Å; L83-F95 HydrophobicContact CD2-CE1 4.36Å; L83-F95 HydrophobicContact CD2-CG 3.86Å; L83-F95 HydrophobicContact CG-CD1 3.77Å; L83-F95 HydrophobicContact CG-CE1 4.06Å; L83-F95 HydrophobicContact CG-CG 4.17Å; L89-F95 HydrophobicContact CB-CE2 4.07Å; L89-F95 HydrophobicContact CD1-CE2 4.19Å; L89-F95 HydrophobicContact CD1-CZ 4.02Å; L89-F95 HydrophobicContact CD2-CE2 4.36Å; L89-F95 HydrophobicContact CG-CE2 4.45Å; D92-F95 HydrophobicContact CB-CD2 4.04Å; D92-F95 HydrophobicContact CB-CE2 4.38Å; D92-F95 PolarHBondContact O-N 3.25Å; N93-F95 VanDerWaalsContact C-N 3.34Å; F95-K100 HydrophobicContact CB-CG 4.22Å; F95-K100 WeakPolarHBondContact O-CE 3.44Å
96	P	98.2	Very high	98.2	Very high	31 Å²	31	63.8 Å²	63.8	20%	0.201	30%	0.298	C	S	.	.			trans	-70	149.7	178.9	32.5	-35.6	0	0	0	110.5	D98 A99 K100 P365 S366	P96-D98 VanDerWaalsContact C-N 3.32Å; P96-D98 VanDerWaalsContact CB-OD1 3.29Å; P96-D98 WeakPolarHBondContact CB-OD1 3.1Å; P96-D98 PolarHBondContact O-N 3.18Å; P96-A99 HydrophobicContact CG-CB 3.79Å; P96-A99 WeakPolarHBondContact O-CB 3.28Å; P96-A99 PolarHBondContact O-N 3.42Å; P96-A99 VanDerWaalsContact O-N 3.14Å; P96-K100 PolarHBondContact O-N 3.32Å; P96-K100 VanDerWaalsContact O-N 3.16Å; P96-P365 HydrophobicContact CB-CB 4.38Å; P96-S366 VanDerWaalsContact CG-OG 3.26Å; P96-S366 WeakPolarHBondContact CG-OG 3.24Å
97	E	98.2	Very high	98.2	Very high	83 Å²	83	58.5 Å²	58.5	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-33.7	-170.4	-173.9	55	-144.6	0	0	112.7	A99 K100 Q101 R104	E97-A99 VanDerWaalsContact C-N 3.34Å; E97-A99 PolarHBondContact O-N 3.38Å; E97-K100 WeakPolarHBondContact O-CB 3.26Å; E97-K100 PolarHBondContact O-N 3.34Å; E97-K100 WeakPolarHBondContact OE2-CD 3.36Å; E97-Q101 HydrophobicContact CG-CG 4.43Å; E97-Q101 VanDerWaalsContact O-CG 3.28Å; E97-Q101 WeakPolarHBondContact O-CG 3.29Å; E97-Q101 PolarHBondContact O-N 2.89Å; E97-R104 IonicContact OE1-CZ 2.91Å; E97-R104 IonicContact OE1-NH1 2.74Å; E97-R104 PolarHBondContact OE1-NH1 3.36Å; E97-R104 IonicContact OE1-NH2 3.69Å
98	D	98.5	Very high	98.2	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-40.5	173.6	55.1	-6.7	0	0	0	112.1	P96 K100 Q101 R102 E364 S366	P96-D98 VanDerWaalsContact C-N 3.32Å; P96-D98 VanDerWaalsContact CB-OD1 3.29Å; P96-D98 WeakPolarHBondContact CB-OD1 3.1Å; P96-D98 PolarHBondContact O-N 3.18Å; D98-K100 PolarHBondContact O-N 3.28Å; D98-Q101 PolarHBondContact O-N 3.49Å; D98-R102 WeakPolarHBondContact O-CG 3.22Å; D98-R102 PolarHBondContact O-N 3.46Å; D98-E364 HydrophobicContact CB-CB 4.12Å; D98-E364 HydrophobicContact CB-CG 4.45Å; D98-S366 VanDerWaalsContact CG-OG 3.27Å; D98-S366 PolarHBondContact OD1-OG 3.3Å; D98-S366 WeakPolarHBondContact OD2-CA 3.37Å; D98-S366 WeakPolarHBondContact OD2-CB 3.44Å; D98-S366 PolarHBondContact OD2-N 2.9Å; D98-S366 PolarHBondContact OD2-OG 2.91Å
99	A	98.8	Very high	98.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-40.4	173.8	0	0	0	0	0	111.9	F76 Q79 V80 L83 P96 E97 R102 A103	F76-A99 HydrophobicContact CD2-CB 4.23Å; F76-A99 HydrophobicContact CE2-CB 3.85Å; Q79-A99 HydrophobicContact CB-CB 4.17Å; V80-A99 HydrophobicContact CG2-CB 3.79Å; L83-A99 HydrophobicContact CD1-CB 4.05Å; P96-A99 HydrophobicContact CG-CB 3.79Å; P96-A99 WeakPolarHBondContact O-CB 3.28Å; P96-A99 PolarHBondContact O-N 3.42Å; P96-A99 VanDerWaalsContact O-N 3.14Å; E97-A99 VanDerWaalsContact C-N 3.34Å; E97-A99 PolarHBondContact O-N 3.38Å; A99-R102 PolarHBondContact O-N 3.09Å; A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 2.99Å
100	K	98.7	Very high	98.2	Very high	12 Å²	12	55.3 Å²	55.3	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-43.2	174.6	-64.7	178.9	178.2	-166	0	111.7	L83 L90 D92 F95 P96 E97 D98 A103 R104	L83-K100 HydrophobicContact CD1-CG 4.15Å; L83-K100 HydrophobicContact CD2-CG 4.49Å; L90-K100 HydrophobicContact CD2-CB 3.98Å; L90-K100 HydrophobicContact CD2-CG 4.25Å; L90-K100 VanDerWaalsContact O-CD 3.32Å; L90-K100 WeakPolarHBondContact O-CD 3.35Å; L90-K100 WeakPolarHBondContact O-CE 3.19Å; L90-K100 PolarHBondContact O-NZ 3.02Å; D92-K100 WeakPolarHBondContact O-CE 3.27Å; D92-K100 PolarHBondContact O-NZ 3.42Å; F95-K100 HydrophobicContact CB-CG 4.22Å; F95-K100 WeakPolarHBondContact O-CE 3.44Å; P96-K100 PolarHBondContact O-N 3.32Å; P96-K100 VanDerWaalsContact O-N 3.16Å; E97-K100 WeakPolarHBondContact O-CB 3.26Å; E97-K100 PolarHBondContact O-N 3.34Å; E97-K100 WeakPolarHBondContact OE2-CD 3.36Å; D98-K100 PolarHBondContact O-N 3.28Å; K100-A103 PolarHBondContact O-N 3.28Å; K100-R104 WeakPolarHBondContact O-CG 3.49Å; K100-R104 PolarHBondContact O-N 3.4Å
101	Q	98.4	Very high	98.1	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.3	-72.3	173.7	12.7	0	0	111.9	E97 D98 R105	E97-Q101 HydrophobicContact CG-CG 4.43Å; E97-Q101 VanDerWaalsContact O-CG 3.28Å; E97-Q101 WeakPolarHBondContact O-CG 3.29Å; E97-Q101 PolarHBondContact O-N 2.89Å; D98-Q101 PolarHBondContact O-N 3.49Å; Q101-R105 WeakPolarHBondContact O-CB 3.18Å; Q101-R105 PolarHBondContact O-N 3.23Å
102	R	98.4	Very high	98	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-46.9	173.6	-65.2	-49	-175.6	-87.4	0.5	111.4	F76 V80 D98 A99 R105 I106 L355 E364	F76-R102 HydrophobicContact CE1-CG 4.32Å; F76-R102 HydrophobicContact CZ-CG 3.76Å; V80-R102 HydrophobicContact CG1-CB 3.91Å; V80-R102 HydrophobicContact CG2-CB 3.92Å; V80-R102 HydrophobicContact CG2-CG 4.46Å; D98-R102 WeakPolarHBondContact O-CG 3.22Å; D98-R102 PolarHBondContact O-N 3.46Å; A99-R102 PolarHBondContact O-N 3.09Å; R102-R105 PolarHBondContact O-N 2.92Å; R102-I106 WeakPolarHBondContact O-CG1 3.28Å; R102-I106 PolarHBondContact O-N 3.17Å; R102-L355 HydrophobicContact CB-CD2 4.1Å; R102-L355 HydrophobicContact CG-CD2 4.19Å; R102-E364 IonicContact CZ-OE1 2.68Å; R102-E364 IonicContact CZ-OE2 3.76Å; R102-E364 IonicContact NH1-OE1 3.62Å; R102-E364 PolarHBondContact NH1-OE1 3.08Å; R102-E364 IonicContact NH1-OE2 3.81Å; R102-E364 IonicContact NH2-OE1 3.82Å; R102-E364 PolarHBondContact NH2-OE1 3.06Å; R102-E364 IonicContact NH2-OE2 3.3Å; R102-E364 PolarHBondContact NH2-OE2 3.26Å
103	A	98.7	Very high	98	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-48.1	179.5	0	0	0	0	0	112.4	V80 L83 L90 A99 K100 R105 I106 L107	V80-A103 HydrophobicContact CG1-CB 4.2Å; L83-A103 HydrophobicContact CB-CB 3.47Å; L83-A103 VanDerWaalsContact CB-CB 3.47Å; L83-A103 HydrophobicContact CD1-CB 4.14Å; L83-A103 HydrophobicContact CG-CB 4.43Å; L90-A103 HydrophobicContact CD2-CB 4.12Å; A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 2.99Å; K100-A103 PolarHBondContact O-N 3.28Å; A103-R105 PolarHBondContact O-N 3.14Å; A103-I106 PolarHBondContact O-N 3.36Å; A103-L107 WeakPolarHBondContact O-CB 3.41Å; A103-L107 VanDerWaalsContact O-CG 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 2.97Å
104	R	98.7	Very high	98	Very high	82 Å²	82	51.2 Å²	51.2	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-56.5	-48.9	176.1	-70.2	-178.8	-163.7	116	-1.7	111.3	L90 E97 K100 I106 L107 D108	L90-R104 HydrophobicContact CD1-CG 4.06Å; L90-R104 HydrophobicContact CD2-CG 3.9Å; E97-R104 IonicContact OE1-CZ 2.91Å; E97-R104 IonicContact OE1-NH1 2.74Å; E97-R104 PolarHBondContact OE1-NH1 3.36Å; E97-R104 IonicContact OE1-NH2 3.69Å; K100-R104 WeakPolarHBondContact O-CG 3.49Å; K100-R104 PolarHBondContact O-N 3.4Å; R104-I106 VanDerWaalsContact C-N 3.32Å; R104-I106 PolarHBondContact O-N 2.9Å; R104-L107 PolarHBondContact O-N 3.24Å; R104-D108 WeakPolarHBondContact O-CB 3.35Å; R104-D108 PolarHBondContact O-N 3.35Å
105	R	98.6	Very high	98.1	Very high	76 Å²	76	44 Å²	44	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-58.6	-40.6	179	-178.1	176.6	176.2	-106.9	-2.9	113	Q101 R102 A103 A109 D130 D354	Q101-R105 WeakPolarHBondContact O-CB 3.18Å; Q101-R105 PolarHBondContact O-N 3.23Å; R102-R105 PolarHBondContact O-N 2.92Å; A103-R105 PolarHBondContact O-N 3.14Å; R105-A109 PolarHBondContact O-N 2.94Å; R105-D130 IonicContact CZ-OD1 2.73Å; R105-D130 IonicContact CZ-OD2 2.76Å; R105-D130 IonicContact NH1-OD1 3.97Å; R105-D130 IonicContact NH1-OD2 2.75Å; R105-D130 PolarHBondContact NH1-OD2 2.9Å; R105-D130 IonicContact NH2-OD1 2.85Å; R105-D130 IonicContact NH2-OD2 3.12Å; R105-D130 PolarHBondContact NH2-OD2 3.01Å; R105-D354 IonicContact NH1-OD1 3.54Å; R105-D354 IonicContact NH1-OD2 3.52Å
106	I	98.6	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-46.7	176.4	-71.8	159.2	0	0	0	110.6	V80 R102 A103 R104 A109 C110 I115 A351 D354 L355	V80-I106 HydrophobicContact CG1-CD1 4.09Å; R102-I106 WeakPolarHBondContact O-CG1 3.28Å; R102-I106 PolarHBondContact O-N 3.17Å; A103-I106 PolarHBondContact O-N 3.36Å; R104-I106 VanDerWaalsContact C-N 3.32Å; R104-I106 PolarHBondContact O-N 2.9Å; I106-A109 PolarHBondContact O-N 2.93Å; I106-C110 PolarHBondContact O-N 2.76Å; I106-C110 PolarHBondContact O-SG 2.88Å; I106-I115 HydrophobicContact CG2-CG2 4.31Å; I106-A351 HydrophobicContact CD1-CB 4.07Å; I106-A351 HydrophobicContact CG2-CB 3.96Å; I106-D354 HydrophobicContact CD1-CB 4.49Å; I106-L355 HydrophobicContact CD1-CD2 4.49Å
107	L	98.6	Very high	98	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-45.4	179.7	-67.6	169.1	0	0	0	111	C84 P87 L90 A103 R104 A109 C110 H113 I115	C84-L107 HydrophobicContact CB-CD2 4.47Å; P87-L107 HydrophobicContact CB-CD1 4.08Å; P87-L107 HydrophobicContact CG-CD1 3.97Å; P87-L107 HydrophobicContact CG-CD2 4.33Å; L90-L107 HydrophobicContact CD1-CD1 4.26Å; A103-L107 WeakPolarHBondContact O-CB 3.41Å; A103-L107 VanDerWaalsContact O-CG 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.42Å; A103-L107 PolarHBondContact O-N 2.97Å; R104-L107 PolarHBondContact O-N 3.24Å; L107-A109 PolarHBondContact O-N 3.04Å; L107-C110 WeakPolarHBondContact O-CA 3.4Å; L107-C110 WeakPolarHBondContact O-CB 3.35Å; L107-C110 PolarHBondContact O-N 2.85Å; L107-H113 HydrophobicContact CB-CB 4.47Å; L107-H113 WeakPolarHBondContact CD2-O 3.45Å; L107-H113 VanDerWaalsContact O-CA 3.32Å; L107-H113 WeakPolarHBondContact O-CA 3.39Å; L107-I115 HydrophobicContact CD2-CG2 3.99Å
108	D	98.4	Very high	98	Very high	104 Å²	104	49.8 Å²	49.8	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-26.3	178.7	-67.3	-20.1	0	0	0	113.3	R104 C110 H113	R104-D108 WeakPolarHBondContact O-CB 3.35Å; R104-D108 PolarHBondContact O-N 3.35Å; D108-C110 VanDerWaalsContact C-N 3.29Å; D108-H113 IonicContact OD1-CE1 3.07Å; D108-H113 PolarHBondContact OD1-CE1 3.25Å; D108-H113 VanDerWaalsContact OD1-CE1 3.3Å; D108-H113 IonicContact OD1-ND1 3.93Å; D108-H113 PolarHBondContact OD1-ND1 3.07Å
109	A	97.8	Very high	97.9	Very high	45 Å²	45	50.9 Å²	50.9	37%	0.372	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.5	174.5	0	0	0	0	0	113.5	R105 I106 L107 I124 C126	R105-A109 PolarHBondContact O-N 2.94Å; I106-A109 PolarHBondContact O-N 2.93Å; L107-A109 PolarHBondContact O-N 3.04Å; A109-I124 HydrophobicContact CB-CG2 3.54Å; A109-C126 WeakPolarHBondContact CB-SG 3.48Å
110	C	97.7	Very high	97.8	Very high	16 Å²	16	53.9 Å²	53.9	11%	0.108	33%	0.327	C	S	.	.	S	Bend	trans	-100.4	144.8	178.2	-61.7	0	0	0	0	111.3	I106 L107 D108 G112 H113 S114	I106-C110 PolarHBondContact O-N 2.76Å; I106-C110 PolarHBondContact O-SG 2.88Å; L107-C110 WeakPolarHBondContact O-CA 3.4Å; L107-C110 WeakPolarHBondContact O-CB 3.35Å; L107-C110 PolarHBondContact O-N 2.85Å; D108-C110 VanDerWaalsContact C-N 3.29Å; C110-G112 PolarHBondContact O-N 2.91Å; C110-H113 PolarHBondContact O-N 3.33Å; C110-H113 VanDerWaalsContact O-N 3.12Å; C110-S114 WeakPolarHBondContact CB-O 2.98Å
111	G	96	Very high	97.7	Very high	49 Å²	49	55 Å²	55	51%	0.505	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-58.2	127.5	172.7	0	0	0	0	0	111.5	H113 A117	G111-H113 PolarHBondContact O-N 3.48Å; G111-A117 WeakPolarHBondContact O-CB 3.39Å
112	G	96.4	Very high	97.6	Very high	72 Å²	72	52.1 Å²	52.1	74%	0.742	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	66.3	22.2	-179.3	0	0	0	0	0	114.4	C110 S114	C110-G112 PolarHBondContact O-N 2.91Å; G112-S114 PolarHBondContact O-N 3.17Å
113	H	97.4	Very high	97.6	Very high	114 Å²	114	51.2 Å²	51.2	53%	0.528	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	54.2	37.3	-178	-53.6	-90.5	0	0	0	113.2	L107 D108 C110 G111	L107-H113 HydrophobicContact CB-CB 4.47Å; L107-H113 WeakPolarHBondContact CD2-O 3.45Å; L107-H113 VanDerWaalsContact O-CA 3.32Å; L107-H113 WeakPolarHBondContact O-CA 3.39Å; D108-H113 IonicContact OD1-CE1 3.07Å; D108-H113 PolarHBondContact OD1-CE1 3.25Å; D108-H113 VanDerWaalsContact OD1-CE1 3.3Å; D108-H113 IonicContact OD1-ND1 3.93Å; D108-H113 PolarHBondContact OD1-ND1 3.07Å; C110-H113 PolarHBondContact O-N 3.33Å; C110-H113 VanDerWaalsContact O-N 3.12Å; G111-H113 PolarHBondContact O-N 3.48Å
114	S	97.4	Very high	97.6	Very high	55 Å²	55	51.5 Å²	51.5	39%	0.385	32%	0.321	S	S	.	.			trans	-135.3	128.4	-174.1	-177.1	0	0	0	0	112.4	C110 G112 G116 A117	C110-S114 WeakPolarHBondContact CB-O 2.98Å; G112-S114 PolarHBondContact O-N 3.17Å; S114-G116 PolarHBondContact O-N 2.78Å; S114-G116 VanDerWaalsContact O-N 3.09Å; S114-G116 PolarHBondContact OG-N 3.26Å; S114-G116 VanDerWaalsContact OG-N 3.17Å; S114-A117 PolarHBondContact O-N 3.2Å; S114-A117 VanDerWaalsContact O-N 3.16Å
115	I	97.6	Very high	97.6	Very high	23 Å²	23	53.1 Å²	53.1	12%	0.118	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	1	171.1	67.5	173.8	0	0	0	113.5	C84 I106 L107 V347 P348	C84-I115 HydrophobicContact CB-CD1 3.97Å; C84-I115 HydrophobicContact CB-CG2 3.92Å; C84-I115 WeakPolarHBondContact O-CD1 3.49Å; I106-I115 HydrophobicContact CG2-CG2 4.31Å; L107-I115 HydrophobicContact CD2-CG2 3.99Å; I115-V347 HydrophobicContact CB-CB 4.29Å; I115-V347 HydrophobicContact CB-CG1 3.74Å; I115-V347 HydrophobicContact CG2-CG1 3.87Å; I115-V347 WeakPolarHBondContact O-CB 3.5Å; I115-P348 HydrophobicContact CD1-CG 4.25Å
116	G	97.3	Very high	97.6	Very high	70 Å²	70	50.5 Å²	50.5	72%	0.722	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.5	170.7	0	0	0	0	0	114	S114	S114-G116 PolarHBondContact O-N 2.78Å; S114-G116 VanDerWaalsContact O-N 3.09Å; S114-G116 PolarHBondContact OG-N 3.26Å; S114-G116 VanDerWaalsContact OG-N 3.17Å
117	A	97.4	Very high	97.6	Very high	33 Å²	33	50.5 Å²	50.5	27%	0.273	33%	0.325	S	S	.	.	S	Bend	trans	-79.1	154.9	177.6	0	0	0	0	0	111.9	G111 S114 V347	G111-A117 WeakPolarHBondContact O-CB 3.39Å; S114-A117 PolarHBondContact O-N 3.2Å; S114-A117 VanDerWaalsContact O-N 3.16Å; A117-V347 WeakPolarHBondContact O-CG2 3.5Å
118	Y	97.8	Very high	97.6	Very high	171 Å²	171	51 Å²	51	67%	0.671	33%	0.327	S	S	*	.			trans	-65.4	141	165.7	-65.4	-59.6	0	0	0	110.3	L343	Y118-L343 HydrophobicContact CD1-CB 3.89Å; Y118-L343 HydrophobicContact CD1-CD1 4.21Å; Y118-L343 HydrophobicContact CE1-CB 3.92Å; Y118-L343 HydrophobicContact CE1-CD1 3.47Å; Y118-L343 VanDerWaalsContact CE1-CD1 3.47Å; Y118-L343 HydrophobicContact CE1-CG 4.31Å; Y118-L343 HydrophobicContact CE2-CD1 3.95Å; Y118-L343 HydrophobicContact CG-CB 4.47Å; Y118-L343 WeakPolarHBondContact OH-CD1 3.44Å
119	S	97.1	Very high	97.6	Very high	25 Å²	25	49.2 Å²	49.2	18%	0.175	32%	0.315	C	S	.	.			trans	-91.5	178.4	166.6	71.7	0	0	0	0	110.9	C344 Q350	S119-C344 PolarHBondContact N-SG 3.44Å; S119-C344 VanDerWaalsContact OG-CB 3.27Å; S119-C344 WeakPolarHBondContact OG-CB 3.26Å; S119-Q350 PolarHBondContact OG-NE2 3.27Å; S119-Q350 PolarHBondContact OG-OE1 3.47Å
120	A	96.8	Very high	97.6	Very high	62 Å²	62	47.3 Å²	47.3	51%	0.512	30%	0.299	S	S	.	.			trans	-55.1	150.3	162	0	0	0	0	0	110.6	Q122 G123	A120-Q122 VanDerWaalsContact C-N 3.31Å; A120-Q122 PolarHBondContact O-N 3.17Å; A120-G123 VanDerWaalsContact O-CA 3.3Å; A120-G123 WeakPolarHBondContact O-CA 3.49Å; A120-G123 PolarHBondContact O-N 2.63Å
121	S	96.6	Very high	97.7	Very high	35 Å²	35	46.6 Å²	46.6	25%	0.245	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29	-172.8	-54.7	0	0	0	0	114.6	G123 S340 L343	S121-G123 PolarHBondContact O-N 3.04Å; S121-S340 WeakPolarHBondContact OG-CA 3.23Å; S121-L343 WeakPolarHBondContact CA-O 3.35Å; S121-L343 WeakPolarHBondContact CB-O 3.27Å; S121-L343 PolarHBondContact OG-O 3.41Å
122	Q	96.6	Very high	97.8	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.7	170.4	-62	-177.7	-9.4	0	0	112.4	A120 Y150 L151 T336	A120-Q122 VanDerWaalsContact C-N 3.31Å; A120-Q122 PolarHBondContact O-N 3.17Å; Q122-Y150 HydrophobicContact CB-CD1 4.26Å; Q122-Y150 HydrophobicContact CG-CD1 3.76Å; Q122-Y150 HydrophobicContact CG-CE1 3.71Å; Q122-L151 PolarHBondContact O-N 3.41Å; Q122-T336 PolarHBondContact NE2-OG1 3.29Å
123	G	98.2	Very high	98	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.			trans	108.5	166.5	-174.2	0	0	0	0	0	113.4	A120 S121 E125 R128 Q350	A120-G123 VanDerWaalsContact O-CA 3.3Å; A120-G123 WeakPolarHBondContact O-CA 3.49Å; A120-G123 PolarHBondContact O-N 2.63Å; S121-G123 PolarHBondContact O-N 3.04Å; G123-E125 PolarHBondContact O-N 3.12Å; G123-R128 PolarHBondContact O-NE 3.09Å; G123-Q350 VanDerWaalsContact CA-OE1 3.26Å
124	I	98.5	Very high	98	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	24%	0.238	C	C	.	.			trans	-54.9	127.8	177.4	-63.9	168.8	0	0	0	109.6	A109 C126 I127 R128 V347	A109-I124 HydrophobicContact CB-CG2 3.54Å; I124-C126 VanDerWaalsContact CG2-SG 3.51Å; I124-C126 PolarHBondContact O-N 2.78Å; I124-I127 HydrophobicContact CB-CB 4.32Å; I124-I127 HydrophobicContact CB-CD1 3.84Å; I124-I127 HydrophobicContact CB-CG1 3.95Å; I124-I127 HydrophobicContact CD1-CD1 3.81Å; I124-I127 HydrophobicContact CG1-CD1 4.37Å; I124-I127 HydrophobicContact CG2-CD1 4.13Å; I124-I127 HydrophobicContact CG2-CG1 3.92Å; I124-I127 PolarHBondContact O-N 3.35Å; I124-R128 PolarHBondContact O-N 2.85Å; I124-V347 HydrophobicContact CD1-CG1 3.74Å
125	E	98.3	Very high	98.1	Very high	117 Å²	117	40.2 Å²	40.2	55%	0.547	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-47	-171.8	179.9	177.9	179.4	0	0	113	G123 I127 R128 Q129	G123-E125 PolarHBondContact O-N 3.12Å; E125-I127 PolarHBondContact O-N 3.1Å; E125-R128 WeakPolarHBondContact O-CB 3.25Å; E125-R128 PolarHBondContact O-N 2.99Å; E125-R128 VanDerWaalsContact O-N 3.08Å; E125-Q129 WeakPolarHBondContact O-CG 3.45Å; E125-Q129 PolarHBondContact O-N 3.28Å; E125-Q129 PolarHBondContact OE1-NE2 2.72Å
126	C	98.4	Very high	98.1	Very high	20 Å²	20	42.8 Å²	42.8	14%	0.135	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-36.3	-179.7	67.1	0	0	0	0	111.5	A109 I124 Q129 D130	A109-C126 WeakPolarHBondContact CB-SG 3.48Å; I124-C126 VanDerWaalsContact CG2-SG 3.51Å; I124-C126 PolarHBondContact O-N 2.78Å; C126-Q129 WeakPolarHBondContact O-CB 3.26Å; C126-Q129 PolarHBondContact O-N 2.82Å; C126-D130 PolarHBondContact O-N 3.37Å
127	I	98.8	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.2	-41.4	176.7	-55.2	-176.6	0	0	0	110.8	I124 E125 Q129 D130 V131 L151 Q350 D354	I124-I127 HydrophobicContact CB-CB 4.32Å; I124-I127 HydrophobicContact CB-CD1 3.84Å; I124-I127 HydrophobicContact CB-CG1 3.95Å; I124-I127 HydrophobicContact CD1-CD1 3.81Å; I124-I127 HydrophobicContact CG1-CD1 4.37Å; I124-I127 HydrophobicContact CG2-CD1 4.13Å; I124-I127 HydrophobicContact CG2-CG1 3.92Å; I124-I127 PolarHBondContact O-N 3.35Å; E125-I127 PolarHBondContact O-N 3.1Å; I127-Q129 PolarHBondContact O-N 2.75Å; I127-D130 PolarHBondContact O-N 2.85Å; I127-D130 VanDerWaalsContact O-N 3.13Å; I127-V131 WeakPolarHBondContact O-CG2 3.35Å; I127-V131 PolarHBondContact O-N 2.76Å; I127-L151 HydrophobicContact CB-CD1 4.1Å; I127-L151 HydrophobicContact CG2-CD1 3.75Å; I127-Q350 HydrophobicContact CD1-CB 4.02Å; I127-D354 HydrophobicContact CB-CB 4.47Å; I127-D354 HydrophobicContact CD1-CB 4.08Å; I127-D354 HydrophobicContact CG1-CB 3.96Å; I127-D354 HydrophobicContact CG2-CB 3.95Å
128	R	98.8	Very high	98.2	Very high	19 Å²	19	47.9 Å²	47.9	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-37.8	172.5	-70.1	-171.8	-68.4	115.2	-1	111.6	G123 I124 E125 V131 A132 P146 D147 I149 L151	G123-R128 PolarHBondContact O-NE 3.09Å; I124-R128 PolarHBondContact O-N 2.85Å; E125-R128 WeakPolarHBondContact O-CB 3.25Å; E125-R128 PolarHBondContact O-N 2.99Å; E125-R128 VanDerWaalsContact O-N 3.08Å; R128-V131 PolarHBondContact O-N 3.2Å; R128-A132 PolarHBondContact O-N 3.31Å; R128-P146 HydrophobicContact CB-CB 4.26Å; R128-P146 PolarHBondContact NH1-O 3.03Å; R128-D147 IonicContact NH1-OD1 2.61Å; R128-I149 HydrophobicContact CB-CB 4.24Å; R128-I149 HydrophobicContact CB-CG2 4.31Å; R128-I149 WeakPolarHBondContact CD-O 3.48Å; R128-I149 HydrophobicContact CG-CB 4.26Å; R128-I149 HydrophobicContact CG-CG2 4.08Å; R128-L151 HydrophobicContact CG-CD2 4.24Å; R128-L151 HydrophobicContact CG-CG 4.09Å
129	Q	98.8	Very high	98.3	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	19%	0.194	S	C	.	.	H	α-helix	trans	-66.5	-37.9	174.6	-62.4	168	-3.1	0	0	112.2	E125 C126 I127 A132 R133 P146	E125-Q129 WeakPolarHBondContact O-CG 3.45Å; E125-Q129 PolarHBondContact O-N 3.28Å; E125-Q129 PolarHBondContact OE1-NE2 2.72Å; C126-Q129 WeakPolarHBondContact O-CB 3.26Å; C126-Q129 PolarHBondContact O-N 2.82Å; I127-Q129 PolarHBondContact O-N 2.75Å; Q129-A132 PolarHBondContact O-N 3.06Å; Q129-R133 WeakPolarHBondContact O-CG 3.35Å; Q129-R133 PolarHBondContact O-N 3.36Å; Q129-P146 HydrophobicContact CB-CG 4.3Å; Q129-P146 HydrophobicContact CG-CB 4.07Å; Q129-P146 HydrophobicContact CG-CG 3.83Å
130	D	98.8	Very high	98.3	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.032	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-41.4	173.2	-72.4	-61.4	0	0	0	112.7	R105 C126 I127 A132 R133 Y134 D354 V357 N358	R105-D130 IonicContact CZ-OD1 2.73Å; R105-D130 IonicContact CZ-OD2 2.76Å; R105-D130 IonicContact NH1-OD1 3.97Å; R105-D130 IonicContact NH1-OD2 2.75Å; R105-D130 PolarHBondContact NH1-OD2 2.9Å; R105-D130 IonicContact NH2-OD1 2.85Å; R105-D130 IonicContact NH2-OD2 3.12Å; R105-D130 PolarHBondContact NH2-OD2 3.01Å; C126-D130 PolarHBondContact O-N 3.37Å; I127-D130 PolarHBondContact O-N 2.85Å; I127-D130 VanDerWaalsContact O-N 3.13Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.48Å; D130-R133 PolarHBondContact O-N 3.35Å; D130-R133 IonicContact OD1-CZ 3.02Å; D130-R133 IonicContact OD1-NE 3.23Å; D130-R133 IonicContact OD1-NH2 3.49Å; D130-R133 PolarHBondContact OD1-NH2 3.05Å; D130-R133 IonicContact OD2-NH2 2.63Å; D130-R133 PolarHBondContact OD2-NH2 3.32Å; D130-Y134 VanDerWaalsContact O-CB 3.31Å; D130-Y134 WeakPolarHBondContact O-CB 3.39Å; D130-Y134 PolarHBondContact O-N 3.47Å; D130-D354 VanDerWaalsContact CG-OD1 3.32Å; D130-V357 HydrophobicContact CB-CG2 3.89Å; D130-N358 HydrophobicContact CB-CB 4.4Å; D130-N358 PolarHBondContact OD1-ND2 2.97Å
131	V	98.9	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-46.3	174.1	172.7	0	0	0	0	110.4	I127 R128 Y134 I135 I149 L151 Y321 L353 V357	I127-V131 WeakPolarHBondContact O-CG2 3.35Å; I127-V131 PolarHBondContact O-N 2.76Å; R128-V131 PolarHBondContact O-N 3.2Å; V131-Y134 WeakPolarHBondContact O-CB 3.44Å; V131-Y134 PolarHBondContact O-N 2.71Å; V131-I135 HydrophobicContact CG1-CD1 3.7Å; V131-I135 HydrophobicContact CG1-CG1 4.45Å; V131-I135 WeakPolarHBondContact O-CD1 3.34Å; V131-I135 VanDerWaalsContact O-CG1 3.28Å; V131-I135 WeakPolarHBondContact O-CG1 3.18Å; V131-I135 PolarHBondContact O-N 2.95Å; V131-I149 HydrophobicContact CB-CG1 4.48Å; V131-I149 HydrophobicContact CB-CG2 3.98Å; V131-I149 HydrophobicContact CG1-CD1 3.88Å; V131-I149 HydrophobicContact CG1-CG1 4.07Å; V131-I149 HydrophobicContact CG1-CG2 3.71Å; V131-I149 HydrophobicContact CG2-CG2 4.39Å; V131-L151 HydrophobicContact CG2-CD2 4.25Å; V131-Y321 HydrophobicContact CG1-CD1 3.78Å; V131-Y321 HydrophobicContact CG1-CD2 3.72Å; V131-Y321 HydrophobicContact CG1-CE1 3.72Å; V131-Y321 HydrophobicContact CG1-CE2 3.72Å; V131-Y321 HydrophobicContact CG1-CG 3.78Å; V131-Y321 HydrophobicContact CG2-CD1 4.06Å; V131-Y321 HydrophobicContact CG2-CE1 4.4Å; V131-Y321 HydrophobicContact CG2-CG 4.46Å; V131-L353 HydrophobicContact CG2-CD2 4.05Å; V131-L353 HydrophobicContact CG2-CG 4.36Å; V131-V357 HydrophobicContact CG2-CG1 4.18Å; V131-V357 HydrophobicContact CG2-CG2 3.99Å
132	A	98.9	Very high	98.5	Very high	3 Å²	3	41 Å²	41	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-46	177.6	0	0	0	0	0	112.3	R128 Q129 D130 Y134 I135 E136 S144 P146	R128-A132 PolarHBondContact O-N 3.31Å; Q129-A132 PolarHBondContact O-N 3.06Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.48Å; A132-Y134 VanDerWaalsContact C-N 3.35Å; A132-Y134 PolarHBondContact O-N 2.88Å; A132-I135 PolarHBondContact O-N 2.88Å; A132-E136 WeakPolarHBondContact O-CB 3.42Å; A132-E136 PolarHBondContact O-N 3.44Å; A132-S144 WeakPolarHBondContact O-CB 3.26Å; A132-P146 HydrophobicContact CB-CG 3.99Å
133	R	98.8	Very high	98.6	Very high	115 Å²	115	43.1 Å²	43.1	43%	0.434	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-40.3	175	-76.4	-171.3	-69.5	-85.5	2.7	112.7	Q129 D130 E136 K137	Q129-R133 WeakPolarHBondContact O-CG 3.35Å; Q129-R133 PolarHBondContact O-N 3.36Å; D130-R133 PolarHBondContact O-N 3.35Å; D130-R133 IonicContact OD1-CZ 3.02Å; D130-R133 IonicContact OD1-NE 3.23Å; D130-R133 IonicContact OD1-NH2 3.49Å; D130-R133 PolarHBondContact OD1-NH2 3.05Å; D130-R133 IonicContact OD2-NH2 2.63Å; D130-R133 PolarHBondContact OD2-NH2 3.32Å; R133-E136 PolarHBondContact O-N 2.81Å; R133-K137 WeakPolarHBondContact O-CB 3.49Å; R133-K137 PolarHBondContact O-N 3.34Å
134	Y	98.8	Very high	98.6	Very high	38 Å²	38	43.9 Å²	43.9	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-47.2	176.1	166.2	-94	0	0	0	111.4	D130 V131 A132 K137 R138 Q271 V357	D130-Y134 VanDerWaalsContact O-CB 3.31Å; D130-Y134 WeakPolarHBondContact O-CB 3.39Å; D130-Y134 PolarHBondContact O-N 3.47Å; V131-Y134 WeakPolarHBondContact O-CB 3.44Å; V131-Y134 PolarHBondContact O-N 2.71Å; A132-Y134 VanDerWaalsContact C-N 3.35Å; A132-Y134 PolarHBondContact O-N 2.88Å; Y134-K137 PolarHBondContact O-N 2.63Å; Y134-R138 VanDerWaalsContact O-CB 3.24Å; Y134-R138 WeakPolarHBondContact O-CB 3.36Å; Y134-R138 PolarHBondContact O-N 2.67Å; Y134-Q271 PolarHBondContact OH-OE1 3Å; Y134-V357 WeakPolarHBondContact CB-O 3.32Å; Y134-V357 HydrophobicContact CD1-CB 4.2Å; Y134-V357 HydrophobicContact CD1-CG1 3.98Å; Y134-V357 HydrophobicContact CD2-CB 4Å; Y134-V357 HydrophobicContact CD2-CG1 4.4Å; Y134-V357 WeakPolarHBondContact CD2-O 3.24Å; Y134-V357 HydrophobicContact CE1-CG1 4.44Å; Y134-V357 HydrophobicContact CG-CB 3.68Å; Y134-V357 HydrophobicContact CG-CG1 3.97Å
135	I	98.9	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-48.2	177	-70.2	162.3	0	0	0	110.1	V131 A132 K137 R138 D139 I149 K285 Y321 E323	V131-I135 HydrophobicContact CG1-CD1 3.7Å; V131-I135 HydrophobicContact CG1-CG1 4.45Å; V131-I135 WeakPolarHBondContact O-CD1 3.34Å; V131-I135 VanDerWaalsContact O-CG1 3.28Å; V131-I135 WeakPolarHBondContact O-CG1 3.18Å; V131-I135 PolarHBondContact O-N 2.95Å; A132-I135 PolarHBondContact O-N 2.88Å; I135-K137 PolarHBondContact O-N 3.04Å; I135-R138 PolarHBondContact O-N 3.36Å; I135-D139 WeakPolarHBondContact CG2-OD2 3.43Å; I135-D139 VanDerWaalsContact O-CB 3.26Å; I135-D139 WeakPolarHBondContact O-CB 3.37Å; I135-D139 VanDerWaalsContact O-CG 3.26Å; I135-D139 PolarHBondContact O-N 3.38Å; I135-I149 HydrophobicContact CD1-CD1 3.74Å; I135-K285 HydrophobicContact CG2-CD 3.72Å; I135-Y321 HydrophobicContact CD1-CE2 3.87Å; I135-E323 HydrophobicContact CD1-CB 4.31Å
136	E	98.7	Very high	98.6	Very high	77 Å²	77	41.9 Å²	41.9	36%	0.36	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-46.4	178.9	-179	176.7	-174.6	0	0	112.1	A132 R133 D139 G140 G141 I142	A132-E136 WeakPolarHBondContact O-CB 3.42Å; A132-E136 PolarHBondContact O-N 3.44Å; R133-E136 PolarHBondContact O-N 2.81Å; E136-D139 PolarHBondContact O-N 3.21Å; E136-G140 PolarHBondContact O-N 3.15Å; E136-G140 VanDerWaalsContact O-N 3.15Å; E136-G141 PolarHBondContact O-N 3.22Å; E136-I142 WeakPolarHBondContact CA-O 3.39Å
137	K	98.4	Very high	98.5	Very high	153 Å²	153	45.5 Å²	45.5	67%	0.665	26%	0.255	S	S	*	.	H	α-helix	trans	-62.8	-46.7	176.6	-175.1	177.7	-178.2	176.8	0	111.7	R133 Y134 I135 D139 G140	R133-K137 WeakPolarHBondContact O-CB 3.49Å; R133-K137 PolarHBondContact O-N 3.34Å; Y134-K137 PolarHBondContact O-N 2.63Å; I135-K137 PolarHBondContact O-N 3.04Å; K137-D139 VanDerWaalsContact C-N 3.31Å; K137-D139 PolarHBondContact O-N 2.79Å; K137-G140 PolarHBondContact O-N 2.7Å
138	R	98.4	Very high	98.5	Very high	58 Å²	58	47.4 Å²	47.4	22%	0.219	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-40.9	178.6	-177.7	-162.7	67.6	-174.3	-7.5	111.5	Y134 I135 G140 E268 S283	Y134-R138 VanDerWaalsContact O-CB 3.24Å; Y134-R138 WeakPolarHBondContact O-CB 3.36Å; Y134-R138 PolarHBondContact O-N 2.67Å; I135-R138 PolarHBondContact O-N 3.36Å; R138-G140 VanDerWaalsContact C-N 3.3Å; R138-G140 PolarHBondContact O-N 2.92Å; R138-E268 IonicContact NH1-OE2 3.4Å; R138-S283 VanDerWaalsContact NH2-CB 3.28Å; R138-S283 PolarHBondContact NH2-OG 2.92Å
139	D	98.6	Very high	98.5	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.011	26%	0.262	C	S	.	.	H	α-helix	trans	-87.2	-0.1	-173.5	-64.6	-16	0	0	0	113.2	I135 E136 K137 I142 S283 K285 K286	I135-D139 WeakPolarHBondContact CG2-OD2 3.43Å; I135-D139 VanDerWaalsContact O-CB 3.26Å; I135-D139 WeakPolarHBondContact O-CB 3.37Å; I135-D139 VanDerWaalsContact O-CG 3.26Å; I135-D139 PolarHBondContact O-N 3.38Å; E136-D139 PolarHBondContact O-N 3.21Å; K137-D139 VanDerWaalsContact C-N 3.31Å; K137-D139 PolarHBondContact O-N 2.79Å; D139-I142 HydrophobicContact CB-CB 4.12Å; D139-I142 HydrophobicContact CB-CD1 4.37Å; D139-S283 VanDerWaalsContact CG-OG 3.29Å; D139-S283 PolarHBondContact OD1-OG 2.96Å; D139-S283 PolarHBondContact OD2-OG 2.85Å; D139-K285 IonicContact OD2-NZ 3.2Å; D139-K286 HydrophobicContact CB-CB 4.03Å; D139-K286 HydrophobicContact CB-CG 4.43Å; D139-K286 PolarHBondContact O-NZ 3.14Å
140	G	97.9	Very high	98.5	Very high	65 Å²	65	43.4 Å²	43.4	67%	0.67	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	38.3	173.6	0	0	0	0	0	113.9	E136 K137 R138	E136-G140 PolarHBondContact O-N 3.15Å; E136-G140 VanDerWaalsContact O-N 3.15Å; K137-G140 PolarHBondContact O-N 2.7Å; R138-G140 VanDerWaalsContact C-N 3.3Å; R138-G140 PolarHBondContact O-N 2.92Å
141	G	98.3	Very high	98.5	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	25%	0.248	S	C	.	.	S	Bend	trans	92.5	6.6	178.4	0	0	0	0	0	114.5	E136 S143	E136-G141 PolarHBondContact O-N 3.22Å; G141-S143 PolarHBondContact O-N 3.35Å
142	I	98.6	Very high	98.5	Very high	30 Å²	30	43.8 Å²	43.8	15%	0.154	25%	0.25	C	C	.	.			trans	-75.4	110.3	173.6	-60	173	0	0	0	107.9	E136 D139 K285 K286 F289 E290	E136-I142 WeakPolarHBondContact CA-O 3.39Å; D139-I142 HydrophobicContact CB-CB 4.12Å; D139-I142 HydrophobicContact CB-CD1 4.37Å; I142-K285 PolarHBondContact O-NZ 3.4Å; I142-K286 HydrophobicContact CD1-CB 4.36Å; I142-K286 HydrophobicContact CD1-CG 4.02Å; I142-F289 HydrophobicContact CD1-CB 3.94Å; I142-F289 HydrophobicContact CG2-CB 3.62Å; I142-F289 HydrophobicContact CG2-CD1 3.63Å; I142-F289 HydrophobicContact CG2-CD2 4.15Å; I142-F289 HydrophobicContact CG2-CE1 4.29Å; I142-F289 HydrophobicContact CG2-CG 3.53Å; I142-E290 HydrophobicContact CD1-CG 4.27Å
143	S	97.9	Very high	98.5	Very high	81 Å²	81	45.4 Å²	45.4	57%	0.566	26%	0.259	S	S	*	.			trans	-54.6	150.9	-174	74.1	0	0	0	0	112.9	G141 K285	G141-S143 PolarHBondContact O-N 3.35Å; S143-K285 VanDerWaalsContact O-CE 3.28Å; S143-K285 WeakPolarHBondContact O-CE 3.32Å; S143-K285 PolarHBondContact O-NZ 2.83Å
144	S	98.4	Very high	98.4	Very high	16 Å²	16	40 Å²	40	11%	0.112	24%	0.239	C	C	.	.			trans	-132.3	139.8	170.8	177.7	0	0	0	0	107.7	A132 E323	A132-S144 WeakPolarHBondContact O-CB 3.26Å; S144-E323 WeakPolarHBondContact CB-OE1 3.48Å; S144-E323 PolarHBondContact OG-OE1 2.98Å
145	S	98.3	Very high	98.4	Very high	45 Å²	45	38.4 Å²	38.4	32%	0.315	23%	0.234	S	C	.	.			trans	-97.1	131	179.1	176	0	0	0	0	110	D147 N148	S145-D147 PolarHBondContact O-N 3.08Å; S145-D147 VanDerWaalsContact O-N 3.1Å; S145-D147 PolarHBondContact OG-N 2.81Å; S145-N148 WeakPolarHBondContact O-CB 3.49Å; S145-N148 PolarHBondContact O-N 3.09Å
146	P	98.5	Very high	98.4	Very high	35 Å²	35	40.1 Å²	40.1	23%	0.227	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.4	-24.9	172.1	-22.9	33.1	0	0	0	113.5	R128 Q129 A132 N148 I149	R128-P146 HydrophobicContact CB-CB 4.26Å; R128-P146 PolarHBondContact NH1-O 3.03Å; Q129-P146 HydrophobicContact CB-CG 4.3Å; Q129-P146 HydrophobicContact CG-CB 4.07Å; Q129-P146 HydrophobicContact CG-CG 3.83Å; A132-P146 HydrophobicContact CB-CG 3.99Å; P146-N148 PolarHBondContact O-N 3.27Å; P146-I149 PolarHBondContact O-N 3.25Å
147	D	97.8	Very high	98.3	Very high	97 Å²	97	37.9 Å²	37.9	52%	0.519	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-76.4	-11.9	178	-64.4	-21.2	0	0	0	113.1	R128 S145 K332	R128-D147 IonicContact NH1-OD1 2.61Å; S145-D147 PolarHBondContact O-N 3.08Å; S145-D147 VanDerWaalsContact O-N 3.1Å; S145-D147 PolarHBondContact OG-N 2.81Å; D147-K332 WeakPolarHBondContact O-CE 3.27Å; D147-K332 PolarHBondContact O-NZ 2.82Å
148	N	98.3	Very high	98.3	Very high	39 Å²	39	30.6 Å²	30.6	21%	0.209	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-92	-5.8	171.7	-69.4	-12.5	0	0	0	111.9	S145 P146 E323 V324 K332	S145-N148 WeakPolarHBondContact O-CB 3.49Å; S145-N148 PolarHBondContact O-N 3.09Å; P146-N148 PolarHBondContact O-N 3.27Å; N148-E323 HydrophobicContact CB-CG 4.27Å; N148-E323 WeakPolarHBondContact O-CA 3.47Å; N148-V324 VanDerWaalsContact CB-O 3.24Å; N148-V324 WeakPolarHBondContact CB-O 3.27Å; N148-V324 VanDerWaalsContact CG-O 3.23Å; N148-V324 PolarHBondContact O-N 3.35Å; N148-K332 PolarHBondContact OD1-NZ 3.09Å
149	I	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.2	-176.4	-53.2	-53.9	0	0	0	110.8	R128 V131 I135 P146 L151 M322 E323	R128-I149 HydrophobicContact CB-CB 4.24Å; R128-I149 HydrophobicContact CB-CG2 4.31Å; R128-I149 WeakPolarHBondContact CD-O 3.48Å; R128-I149 HydrophobicContact CG-CB 4.26Å; R128-I149 HydrophobicContact CG-CG2 4.08Å; V131-I149 HydrophobicContact CB-CG1 4.48Å; V131-I149 HydrophobicContact CB-CG2 3.98Å; V131-I149 HydrophobicContact CG1-CD1 3.88Å; V131-I149 HydrophobicContact CG1-CG1 4.07Å; V131-I149 HydrophobicContact CG1-CG2 3.71Å; V131-I149 HydrophobicContact CG2-CG2 4.39Å; I135-I149 HydrophobicContact CD1-CD1 3.74Å; P146-I149 PolarHBondContact O-N 3.25Å; I149-L151 HydrophobicContact CG2-CD2 3.96Å; I149-M322 WeakPolarHBondContact CA-O 3.37Å; I149-E323 HydrophobicContact CD1-CB 3.64Å; I149-E323 HydrophobicContact CD1-CG 3.72Å
150	Y	98.8	Very high	98.3	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.8	171.9	-62.6	-102	0	0	0	108.8	Q122 Y321 M322 V324 K332 L335 T336 V339	Q122-Y150 HydrophobicContact CB-CD1 4.26Å; Q122-Y150 HydrophobicContact CG-CD1 3.76Å; Q122-Y150 HydrophobicContact CG-CE1 3.71Å; Y150-Y321 CarbonylContact O-C 3.42Å; Y150-Y321 WeakPolarHBondContact O-CA 3.35Å; Y150-M322 HydrophobicContact CD1-CE 4.31Å; Y150-M322 HydrophobicContact CD2-CE 4.11Å; Y150-M322 HydrophobicContact CD2-CG 4.45Å; Y150-M322 HydrophobicContact CG-CE 3.75Å; Y150-M322 PolarHBondContact N-O 2.75Å; Y150-M322 PolarHBondContact O-N 3.33Å; Y150-V324 HydrophobicContact CD2-CG2 4.24Å; Y150-V324 HydrophobicContact CE2-CG2 4.32Å; Y150-K332 WeakPolarHBondContact OH-CE 3.35Å; Y150-K332 WeakPolarHBondContact OH-CG 3.46Å; Y150-L335 HydrophobicContact CD2-CD2 4.29Å; Y150-L335 HydrophobicContact CE1-CD2 4.06Å; Y150-L335 HydrophobicContact CE1-CG 3.99Å; Y150-L335 HydrophobicContact CE2-CD2 3.79Å; Y150-T336 PolarHBondContact OH-OG1 2.86Å; Y150-V339 HydrophobicContact CD1-CG1 4.46Å; Y150-V339 HydrophobicContact CD1-CG2 4.28Å; Y150-V339 HydrophobicContact CE1-CG2 4.45Å
151	L	98.8	Very high	98.3	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.4	171.9	-52.5	-165.4	0	0	0	109.4	Q122 I127 R128 V131 I149 G320 P345 Q350 L353	Q122-L151 PolarHBondContact O-N 3.41Å; I127-L151 HydrophobicContact CB-CD1 4.1Å; I127-L151 HydrophobicContact CG2-CD1 3.75Å; R128-L151 HydrophobicContact CG-CD2 4.24Å; R128-L151 HydrophobicContact CG-CG 4.09Å; V131-L151 HydrophobicContact CG2-CD2 4.25Å; I149-L151 HydrophobicContact CG2-CD2 3.96Å; L151-G320 WeakPolarHBondContact CA-O 3.46Å; L151-P345 HydrophobicContact CB-CG 4.31Å; L151-P345 WeakPolarHBondContact O-CG 3.36Å; L151-Q350 HydrophobicContact CB-CG 4.35Å; L151-Q350 HydrophobicContact CD1-CB 3.93Å; L151-Q350 HydrophobicContact CD1-CG 3.87Å; L151-L353 HydrophobicContact CD2-CD2 3.57Å
152	S	98.6	Very high	98.3	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.035	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.8	-170.6	72.1	0	0	0	0	112.9	G154 G320	S152-G154 PolarHBondContact O-N 3.3Å; S152-G154 PolarHBondContact OG-O 3.14Å; S152-G320 PolarHBondContact N-O 3.09Å; S152-G320 PolarHBondContact O-N 3.11Å
153	T	98.3	Very high	98.3	Very high	36 Å²	36	23.8 Å²	23.8	22%	0.221	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	62.4	175.8	-49.1	0	0	0	0	111	D157 R318	T153-D157 PolarHBondContact N-OD2 3.48Å; T153-D157 VanDerWaalsContact N-OD2 3.07Å; T153-R318 CarbonylContact C-O 3.5Å; T153-R318 WeakPolarHBondContact CA-O 3.37Å; T153-R318 HydrophobicContact CG2-CB 3.64Å; T153-R318 HydrophobicContact CG2-CG 4.3Å; T153-R318 PolarHBondContact O-NH2 3.18Å
154	G	98.1	Very high	98.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	76.1	169.1	-165.2	0	0	0	0	0	112.3	S152 S156 D157 R318 G319	S152-G154 PolarHBondContact O-N 3.3Å; S152-G154 PolarHBondContact OG-O 3.14Å; G154-S156 PolarHBondContact O-N 2.94Å; G154-D157 WeakPolarHBondContact O-CB 3.46Å; G154-D157 PolarHBondContact O-N 3.4Å; G154-R318 PolarHBondContact N-O 2.87Å; G154-G319 WeakPolarHBondContact CA-O 3.28Å
155	A	98.4	Very high	98.2	Very high	6 Å²	6	27.3 Å²	27.3	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-30.6	178.4	0	0	0	0	0	113.3	D157 A158 I159 V269 F304	A155-D157 PolarHBondContact O-N 2.96Å; A155-A158 PolarHBondContact O-N 3.38Å; A155-A158 VanDerWaalsContact O-N 3.15Å; A155-I159 HydrophobicContact CB-CD1 4.41Å; A155-I159 WeakPolarHBondContact O-CG1 3.43Å; A155-I159 PolarHBondContact O-N 2.95Å; A155-V269 HydrophobicContact CB-CG1 3.45Å; A155-V269 VanDerWaalsContact CB-CG1 3.45Å; A155-F304 HydrophobicContact CB-CB 4.27Å
156	S	97.5	Very high	98.2	Very high	36 Å²	36	25.8 Å²	25.8	25%	0.252	14%	0.141	S	C	.	.	H	α-helix	trans	-55.3	-39.5	179.1	-48.3	0	0	0	0	112.6	G154 V160	G154-S156 PolarHBondContact O-N 2.94Å; S156-V160 VanDerWaalsContact O-CG2 3.32Å; S156-V160 WeakPolarHBondContact O-CG2 3.32Å; S156-V160 PolarHBondContact O-N 2.97Å
157	D	97.2	Very high	98.2	Very high	29 Å²	29	25.3 Å²	25.3	16%	0.155	14%	0.138	C	C	.	.	H	α-helix	trans	-69	-43.1	-179.4	-169.7	45.4	0	0	0	112.3	T153 G154 A155 T161 R342	T153-D157 PolarHBondContact N-OD2 3.48Å; T153-D157 VanDerWaalsContact N-OD2 3.07Å; G154-D157 WeakPolarHBondContact O-CB 3.46Å; G154-D157 PolarHBondContact O-N 3.4Å; A155-D157 PolarHBondContact O-N 2.96Å; D157-T161 WeakPolarHBondContact O-CB 3.45Å; D157-T161 PolarHBondContact O-N 3.31Å; D157-T161 PolarHBondContact O-OG1 3.38Å; D157-R342 IonicContact OD1-CZ 2.71Å; D157-R342 IonicContact OD1-NH1 3.62Å; D157-R342 PolarHBondContact OD1-NH1 3.36Å; D157-R342 IonicContact OD1-NH2 2.67Å; D157-R342 PolarHBondContact OD1-NH2 3.42Å; D157-R342 IonicContact OD2-CZ 2.7Å; D157-R342 IonicContact OD2-NH1 2.67Å; D157-R342 IonicContact OD2-NH2 3.71Å
158	A	98.3	Very high	98.1	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-45.5	177.3	0	0	0	0	0	111.9	A155 V160 T161 I162 F304 M322	A155-A158 PolarHBondContact O-N 3.38Å; A155-A158 VanDerWaalsContact O-N 3.15Å; A158-V160 PolarHBondContact O-N 3.05Å; A158-T161 WeakPolarHBondContact O-CB 3.06Å; A158-T161 PolarHBondContact O-N 3.1Å; A158-I162 PolarHBondContact O-N 3.42Å; A158-F304 HydrophobicContact CB-CD1 3.64Å; A158-F304 HydrophobicContact CB-CE1 3.89Å; A158-M322 HydrophobicContact CB-CB 3.96Å; A158-M322 HydrophobicContact CB-CG 4Å; A158-M322 HydrophobicContact CB-SD 3.73Å
159	I	98.7	Very high	98	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-57.2	-51.3	177.4	-70.8	161.7	0	0	0	110.5	A155 T161 I162 L163 L186 Y187 M265 F304	A155-I159 HydrophobicContact CB-CD1 4.41Å; A155-I159 WeakPolarHBondContact O-CG1 3.43Å; A155-I159 PolarHBondContact O-N 2.95Å; I159-T161 VanDerWaalsContact C-N 3.28Å; I159-T161 PolarHBondContact O-N 2.97Å; I159-I162 PolarHBondContact O-N 2.9Å; I159-L163 HydrophobicContact CG2-CD1 3.96Å; I159-L163 WeakPolarHBondContact O-CG 3.16Å; I159-L163 PolarHBondContact O-N 2.98Å; I159-L186 HydrophobicContact CB-CD2 4.47Å; I159-L186 HydrophobicContact CD1-CD2 3.94Å; I159-L186 HydrophobicContact CG2-CD2 4.35Å; I159-Y187 WeakPolarHBondContact CD1-OH 3.32Å; I159-Y187 HydrophobicContact CG2-CD1 4.22Å; I159-Y187 HydrophobicContact CG2-CE1 3.68Å; I159-M265 HydrophobicContact CB-CE 4.34Å; I159-M265 HydrophobicContact CG2-CE 3.95Å; I159-F304 HydrophobicContact CD1-CG 4.48Å; I159-F304 HydrophobicContact CG1-CD1 3.84Å; I159-F304 HydrophobicContact CG1-CD2 3.91Å; I159-F304 HydrophobicContact CG1-CE1 4.02Å; I159-F304 HydrophobicContact CG1-CE2 4.1Å; I159-F304 HydrophobicContact CG1-CG 3.8Å; I159-F304 HydrophobicContact CG1-CZ 4.16Å
160	V	98.3	Very high	97.9	Very high	48 Å²	48	30.5 Å²	30.5	29%	0.291	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-36.3	179.6	173.1	0	0	0	0	111.4	S156 A158 K164 L186 A190	S156-V160 VanDerWaalsContact O-CG2 3.32Å; S156-V160 WeakPolarHBondContact O-CG2 3.32Å; S156-V160 PolarHBondContact O-N 2.97Å; A158-V160 PolarHBondContact O-N 3.05Å; V160-K164 VanDerWaalsContact O-CB 3.26Å; V160-K164 WeakPolarHBondContact O-CB 3.44Å; V160-K164 PolarHBondContact O-N 3Å; V160-L186 HydrophobicContact CG2-CD1 4.44Å; V160-A190 HydrophobicContact CG2-CB 4.05Å
161	T	98.4	Very high	97.7	Very high	12 Å²	12	33.3 Å²	33.3	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-46	177.7	-61.3	0	0	0	0	111.7	D157 A158 I159 K164 L165 M322 L335 L338 V339	D157-T161 WeakPolarHBondContact O-CB 3.45Å; D157-T161 PolarHBondContact O-N 3.31Å; D157-T161 PolarHBondContact O-OG1 3.38Å; A158-T161 WeakPolarHBondContact O-CB 3.06Å; A158-T161 PolarHBondContact O-N 3.1Å; I159-T161 VanDerWaalsContact C-N 3.28Å; I159-T161 PolarHBondContact O-N 2.97Å; T161-K164 PolarHBondContact O-N 3.33Å; T161-L165 PolarHBondContact O-N 3.11Å; T161-M322 HydrophobicContact CG2-CE 4.44Å; T161-L335 HydrophobicContact CG2-CD1 3.63Å; T161-L338 HydrophobicContact CG2-CD2 3.78Å; T161-L338 HydrophobicContact CG2-CG 4.33Å; T161-V339 HydrophobicContact CG2-CG1 4.17Å
162	I	98.6	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-43.7	177.6	-66	-63.9	0	0	0	111.3	A158 I159 K164 L165 L166 F263 M265 A302 F304 M322 V324 M327 L335	A158-I162 PolarHBondContact O-N 3.42Å; I159-I162 PolarHBondContact O-N 2.9Å; I162-K164 VanDerWaalsContact C-N 3.31Å; I162-K164 PolarHBondContact O-N 2.91Å; I162-L165 WeakPolarHBondContact O-CB 3.42Å; I162-L165 PolarHBondContact O-N 2.72Å; I162-L165 VanDerWaalsContact O-N 3.14Å; I162-L166 HydrophobicContact CG2-CD1 3.57Å; I162-L166 HydrophobicContact CG2-CG 4.45Å; I162-L166 WeakPolarHBondContact O-CG 3.48Å; I162-L166 PolarHBondContact O-N 2.74Å; I162-L166 VanDerWaalsContact O-N 3.09Å; I162-F263 HydrophobicContact CG2-CE1 3.85Å; I162-F263 HydrophobicContact CG2-CZ 4.25Å; I162-M265 HydrophobicContact CB-CE 4.06Å; I162-M265 HydrophobicContact CG2-CE 3.93Å; I162-M265 HydrophobicContact CG2-CG 4.22Å; I162-M265 HydrophobicContact CG2-SD 3.99Å; I162-A302 HydrophobicContact CD1-CB 4.36Å; I162-A302 HydrophobicContact CG1-CB 4.14Å; I162-A302 HydrophobicContact CG2-CB 4.41Å; I162-F304 HydrophobicContact CB-CZ 4.31Å; I162-F304 HydrophobicContact CG1-CE1 4.06Å; I162-F304 HydrophobicContact CG1-CZ 4.08Å; I162-M322 HydrophobicContact CD1-CE 4.23Å; I162-M322 HydrophobicContact CD1-SD 3.76Å; I162-M322 HydrophobicContact CG1-CE 4.46Å; I162-M322 HydrophobicContact CG1-SD 3.54Å; I162-M322 VanDerWaalsContact CG1-SD 3.54Å; I162-V324 HydrophobicContact CD1-CG2 4.1Å; I162-M327 HydrophobicContact CD1-CE 4.24Å; I162-L335 HydrophobicContact CD1-CD1 4.42Å; I162-L335 HydrophobicContact CD1-CD2 4.21Å
163	L	98.6	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-43.5	175.2	-70.9	172.7	0	0	0	111.6	I159 L165 L166 V167 V177 A190 L191 L194 M265	I159-L163 HydrophobicContact CG2-CD1 3.96Å; I159-L163 WeakPolarHBondContact O-CG 3.16Å; I159-L163 PolarHBondContact O-N 2.98Å; L163-L165 PolarHBondContact O-N 3.45Å; L163-L166 PolarHBondContact O-N 2.95Å; L163-L166 VanDerWaalsContact O-N 3.11Å; L163-V167 WeakPolarHBondContact O-CB 3.36Å; L163-V167 WeakPolarHBondContact O-CG2 3.45Å; L163-V167 PolarHBondContact O-N 3.01Å; L163-V177 HydrophobicContact CD2-CG1 4.07Å; L163-V177 HydrophobicContact CD2-CG2 4.19Å; L163-A190 HydrophobicContact CD1-CB 3.81Å; L163-L191 HydrophobicContact CD1-CD2 4.32Å; L163-L191 HydrophobicContact CD2-CD2 4.07Å; L163-L194 HydrophobicContact CB-CD1 3.56Å; L163-M265 HydrophobicContact CD2-CE 4.2Å; L163-M265 HydrophobicContact CD2-SD 3.62Å; L163-M265 HydrophobicContact CG-CE 3.96Å; L163-M265 HydrophobicContact CG-SD 4.05Å
164	K	97.4	Very high	97.4	Very high	124 Å²	124	48 Å²	48	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-32.8	178	-174.3	175.1	-179.2	178.8	0	112.7	V160 T161 I162 L194 L338	V160-K164 VanDerWaalsContact O-CB 3.26Å; V160-K164 WeakPolarHBondContact O-CB 3.44Å; V160-K164 PolarHBondContact O-N 3Å; T161-K164 PolarHBondContact O-N 3.33Å; I162-K164 VanDerWaalsContact C-N 3.31Å; I162-K164 PolarHBondContact O-N 2.91Å; K164-L194 HydrophobicContact CB-CD1 4.39Å; K164-L194 HydrophobicContact CB-CD2 4.03Å; K164-L194 HydrophobicContact CG-CD2 4.06Å; K164-L338 HydrophobicContact CD-CD1 4.42Å
165	L	97.1	Very high	97.5	Very high	48 Å²	48	48 Å²	48	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-72.4	-34.2	176	-172.2	63.8	0	0	0	112.1	T161 I162 L163 M327 V331 Q334 L335	T161-L165 PolarHBondContact O-N 3.11Å; I162-L165 WeakPolarHBondContact O-CB 3.42Å; I162-L165 PolarHBondContact O-N 2.72Å; I162-L165 VanDerWaalsContact O-N 3.14Å; L163-L165 PolarHBondContact O-N 3.45Å; L165-M327 HydrophobicContact CD2-CE 3.9Å; L165-M327 HydrophobicContact CD2-SD 4.02Å; L165-V331 HydrophobicContact CD1-CG1 4.18Å; L165-V331 HydrophobicContact CD2-CG1 3.71Å; L165-V331 HydrophobicContact CG-CG1 4.01Å; L165-Q334 HydrophobicContact CD1-CB 4.31Å; L165-L335 HydrophobicContact CD2-CB 4.01Å; L165-L335 HydrophobicContact CD2-CD1 4.4Å
166	L	97.4	Very high	97.5	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-86	-30.6	-174.8	-69.7	164.3	0	0	0	113.6	I162 L163 C168 T175 R230 V231 F263	I162-L166 HydrophobicContact CG2-CD1 3.57Å; I162-L166 HydrophobicContact CG2-CG 4.45Å; I162-L166 WeakPolarHBondContact O-CG 3.48Å; I162-L166 PolarHBondContact O-N 2.74Å; I162-L166 VanDerWaalsContact O-N 3.09Å; L163-L166 PolarHBondContact O-N 2.95Å; L163-L166 VanDerWaalsContact O-N 3.11Å; L166-C168 PolarHBondContact O-N 3.24Å; L166-T175 PolarHBondContact O-OG1 2.85Å; L166-R230 PolarHBondContact O-NH1 3.27Å; L166-V231 HydrophobicContact CB-CG2 4.06Å; L166-V231 HydrophobicContact CD1-CG1 4.26Å; L166-V231 HydrophobicContact CD1-CG2 3.7Å; L166-V231 HydrophobicContact CG-CG2 4.32Å; L166-F263 HydrophobicContact CD1-CB 4.3Å; L166-F263 HydrophobicContact CD1-CD1 3.81Å; L166-F263 HydrophobicContact CD1-CD2 4.4Å; L166-F263 HydrophobicContact CD1-CE1 4.25Å; L166-F263 HydrophobicContact CD1-CG 3.9Å; L166-F263 HydrophobicContact CD2-CB 4.25Å; L166-F263 HydrophobicContact CD2-CD2 3.96Å; L166-F263 HydrophobicContact CD2-CG 4.08Å
167	V	97.9	Very high	97.6	Very high	24 Å²	24	46 Å²	46	15%	0.145	25%	0.245	C	C	.	.			trans	-77.9	114.4	-172.3	174.6	0	0	0	0	112.1	L163 T175 L194 A196	L163-V167 WeakPolarHBondContact O-CB 3.36Å; L163-V167 WeakPolarHBondContact O-CG2 3.45Å; L163-V167 PolarHBondContact O-N 3.01Å; V167-T175 HydrophobicContact CG2-CG2 4.26Å; V167-L194 HydrophobicContact CB-CB 4.45Å; V167-L194 HydrophobicContact CG1-CB 4.23Å; V167-L194 WeakPolarHBondContact CG1-O 3.25Å; V167-L194 HydrophobicContact CG2-CB 4.36Å; V167-L194 HydrophobicContact CG2-CD1 4.37Å; V167-A196 HydrophobicContact CG1-CB 3.96Å; V167-A196 HydrophobicContact CG2-CB 3.64Å
168	C	97.2	Very high	97.6	Very high	65 Å²	65	44.6 Å²	44.6	44%	0.439	24%	0.238	S	C	.	.			trans	-149.4	-174.7	175.7	71.4	0	0	0	0	112.2	L166 R174 T175 R230	L166-C168 PolarHBondContact O-N 3.24Å; C168-R174 WeakPolarHBondContact O-CA 3.41Å; C168-T175 PolarHBondContact N-OG1 3.38Å; C168-T175 PolarHBondContact O-N 2.61Å; C168-T175 PolarHBondContact O-OG1 2.86Å; C168-T175 VanDerWaalsContact O-OG1 3.06Å; C168-R230 PolarHBondContact SG-NH1 2.72Å; C168-R230 VanDerWaalsContact SG-NH1 3.4Å
169	G	96.7	Very high	97.7	Very high	32 Å²	32	44.7 Å²	44.7	33%	0.33	24%	0.238	S	C	.	.			trans	77.5	177.2	177.8	0	0	0	0	0	113.3	R174	G169-R174 WeakPolarHBondContact O-CD 3.44Å; G169-R174 PolarHBondContact O-NE 2.71Å; G169-R174 PolarHBondContact O-NH1 3.37Å; G169-R174 PolarHBondContact O-NH2 3.02Å
170	E	95.6	Very high	97.6	Very high	148 Å²	148	44.9 Å²	44.9	69%	0.692	24%	0.24	S	C	*	.			trans	-140.6	164.5	174	-55.2	-160.2	140.6	0	0	110.3	R172 D173 R174	E170-R172 PolarHBondContact O-N 3.18Å; E170-D173 PolarHBondContact O-N 3.19Å; E170-R174 PolarHBondContact O-N 3.14Å; E170-R174 IonicContact OE1-NH2 3.75Å
171	G	94.2	Very high	97.6	Very high	60 Å²	60	42.9 Å²	42.9	62%	0.619	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	51.8	-125.2	179.7	0	0	0	0	0	112.2	D173 R174	G171-D173 VanDerWaalsContact C-N 3.29Å; G171-D173 PolarHBondContact O-N 2.73Å; G171-R174 VanDerWaalsContact O-CB 3.23Å; G171-R174 WeakPolarHBondContact O-CB 3.29Å; G171-R174 PolarHBondContact O-N 2.74Å
172	R	95.6	Very high	97.6	Very high	191 Å²	191	42.4 Å²	42.4	72%	0.721	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-69.8	-22.1	178.4	-68.7	-173.4	174.1	-178.3	-2.2	114.2	E170 R174 Q225 C227 K228	E170-R172 PolarHBondContact O-N 3.18Å; R172-R174 VanDerWaalsContact C-N 3.32Å; R172-Q225 PolarHBondContact NE-O 3.47Å; R172-C227 CarbonylContact O-C 3.58Å; R172-C227 WeakPolarHBondContact O-CA 3.2Å; R172-K228 PolarHBondContact O-N 3.21Å; R172-K228 VanDerWaalsContact O-N 3.14Å
173	D	97.1	Very high	97.4	Very high	109 Å²	109	43 Å²	43	58%	0.583	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-88.3	-4.4	176	-67	-49.3	0	0	0	112.4	E170 G171 T175	E170-D173 PolarHBondContact O-N 3.19Å; G171-D173 VanDerWaalsContact C-N 3.29Å; G171-D173 PolarHBondContact O-N 2.73Å; D173-T175 PolarHBondContact O-N 3.1Å
174	R	98.2	Very high	97.3	Very high	59 Å²	59	44.7 Å²	44.7	22%	0.223	23%	0.234	C	C	.	.	S	Bend	trans	-58.8	133.7	176.4	-177	64.5	74.5	-178.4	-6.5	109.2	C168 G169 E170 G171 R172 G176 A195 V197 C227 K228	C168-R174 WeakPolarHBondContact O-CA 3.41Å; G169-R174 WeakPolarHBondContact O-CD 3.44Å; G169-R174 PolarHBondContact O-NE 2.71Å; G169-R174 PolarHBondContact O-NH1 3.37Å; G169-R174 PolarHBondContact O-NH2 3.02Å; E170-R174 PolarHBondContact O-N 3.14Å; E170-R174 IonicContact OE1-NH2 3.75Å; G171-R174 VanDerWaalsContact O-CB 3.23Å; G171-R174 WeakPolarHBondContact O-CB 3.29Å; G171-R174 PolarHBondContact O-N 2.74Å; R172-R174 VanDerWaalsContact C-N 3.32Å; R174-G176 PolarHBondContact O-N 3.07Å; R174-A195 WeakPolarHBondContact CD-O 3.47Å; R174-A195 PolarHBondContact NE-O 3.24Å; R174-V197 HydrophobicContact CB-CG2 4.19Å; R174-V197 HydrophobicContact CG-CG2 3.87Å; R174-C227 WeakPolarHBondContact O-CB 3.3Å; R174-K228 PolarHBondContact O-N 3.2Å
175	T	98.7	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	123.1	178.1	-62.3	0	0	0	0	111.1	L166 V167 C168 D173 V177 V197 R230	L166-T175 PolarHBondContact O-OG1 2.85Å; V167-T175 HydrophobicContact CG2-CG2 4.26Å; C168-T175 PolarHBondContact N-OG1 3.38Å; C168-T175 PolarHBondContact O-N 2.61Å; C168-T175 PolarHBondContact O-OG1 2.86Å; C168-T175 VanDerWaalsContact O-OG1 3.06Å; D173-T175 PolarHBondContact O-N 3.1Å; T175-V177 HydrophobicContact CG2-CG2 4.23Å; T175-V197 PolarHBondContact O-N 2.9Å; T175-R230 HydrophobicContact CG2-CB 4.14Å; T175-R230 HydrophobicContact CG2-CG 4.41Å
176	G	98.8	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.2	170.5	0	0	0	0	0	111.2	R174 V197 K228 P229 R230	R174-G176 PolarHBondContact O-N 3.07Å; G176-V197 CarbonylContact C-O 3.58Å; G176-V197 VanDerWaalsContact CA-O 3.29Å; G176-V197 WeakPolarHBondContact CA-O 3.43Å; G176-K228 PolarHBondContact N-O 2.85Å; G176-P229 WeakPolarHBondContact O-CA 3.4Å; G176-R230 PolarHBondContact O-N 3.23Å
177	V	98.9	Very high	97.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.3	-179.4	179.9	0	0	0	0	109.2	L163 T175 I179 L191 A196 V197 I199 V231 C233	L163-V177 HydrophobicContact CD2-CG1 4.07Å; L163-V177 HydrophobicContact CD2-CG2 4.19Å; T175-V177 HydrophobicContact CG2-CG2 4.23Å; V177-I179 HydrophobicContact CG1-CG2 4.02Å; V177-L191 HydrophobicContact CB-CD1 3.89Å; V177-L191 HydrophobicContact CB-CD2 3.55Å; V177-L191 HydrophobicContact CB-CG 4.39Å; V177-L191 HydrophobicContact CG1-CD1 4.15Å; V177-L191 HydrophobicContact CG1-CD2 3.87Å; V177-L191 HydrophobicContact CG2-CD2 3.51Å; V177-A196 HydrophobicContact CG2-CB 4.4Å; V177-V197 PolarHBondContact N-O 3.45Å; V177-I199 PolarHBondContact O-N 2.84Å; V177-V231 HydrophobicContact CB-CB 4.29Å; V177-V231 HydrophobicContact CG1-CB 3.96Å; V177-V231 HydrophobicContact CG1-CG1 4.01Å; V177-V231 HydrophobicContact CG2-CB 4.01Å; V177-V231 HydrophobicContact CG2-CG2 4.08Å; V177-C233 VanDerWaalsContact CG1-SG 3.57Å
178	M	98.9	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.6	179.1	-58.5	-179.5	74.1	0	0	110.6	I199 Y201 L216 A219 L220 V231 L232 C233 F256 L262	M178-I199 CarbonylContact C-O 3.5Å; M178-I199 VanDerWaalsContact CA-O 3.28Å; M178-I199 WeakPolarHBondContact CA-O 3.28Å; M178-I199 HydrophobicContact CB-CB 4.46Å; M178-I199 HydrophobicContact CG-CB 3.94Å; M178-I199 HydrophobicContact CG-CD1 4.01Å; M178-I199 HydrophobicContact CG-CG2 3.9Å; M178-Y201 HydrophobicContact CB-CD1 4.08Å; M178-Y201 HydrophobicContact CB-CE1 4.35Å; M178-L216 HydrophobicContact CE-CB 4.29Å; M178-L216 HydrophobicContact CE-CD2 4.06Å; M178-L216 WeakPolarHBondContact CE-O 3.48Å; M178-A219 HydrophobicContact CE-CB 4.14Å; M178-L220 HydrophobicContact CE-CB 4.13Å; M178-L220 HydrophobicContact SD-CB 4.36Å; M178-L220 HydrophobicContact SD-CD1 3.68Å; M178-V231 WeakPolarHBondContact CB-O 3.27Å; M178-V231 PolarHBondContact N-O 3.16Å; M178-L232 HydrophobicContact CB-CD1 3.68Å; M178-L232 HydrophobicContact SD-CD1 4.35Å; M178-C233 PolarHBondContact O-N 3.17Å; M178-F256 HydrophobicContact CE-CE1 4.4Å; M178-F256 HydrophobicContact CE-CZ 4.43Å; M178-F256 HydrophobicContact SD-CE1 4.39Å; M178-L262 HydrophobicContact SD-CD1 3.92Å
179	I	98.8	Very high	97	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.3	179.1	70.8	173.5	0	0	0	110.7	V177 Q183 Y187 L191 Q198 I199 Y201 C233	V177-I179 HydrophobicContact CG1-CG2 4.02Å; I179-Q183 HydrophobicContact CD1-CB 4.34Å; I179-Y187 HydrophobicContact CG2-CD1 4.42Å; I179-Y187 HydrophobicContact CG2-CG 4.44Å; I179-L191 HydrophobicContact CD1-CD1 4.32Å; I179-L191 HydrophobicContact CG2-CD1 4.07Å; I179-Q198 HydrophobicContact CD1-CG 3.58Å; I179-Q198 HydrophobicContact CG1-CG 3.9Å; I179-I199 PolarHBondContact N-O 3.29Å; I179-Y201 VanDerWaalsContact C-CD1 3.44Å; I179-Y201 VanDerWaalsContact O-CD1 3.27Å; I179-Y201 WeakPolarHBondContact O-CD1 3.39Å; I179-Y201 PolarHBondContact O-N 3.07Å; I179-Y201 VanDerWaalsContact O-N 3.11Å; I179-C233 HydrophobicContact CG2-CB 4.18Å
180	S	98.2	Very high	97	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	145	-179.4	61.6	0	0	0	0	111.9	P182 Q183 Y201	S180-P182 CarbonylContact C-O 3.18Å; S180-P182 CarbonylContact O-C 3.5Å; S180-P182 PolarHBondContact OG-O 2.98Å; S180-Q183 WeakPolarHBondContact O-CA 3.42Å; S180-Q183 WeakPolarHBondContact O-CB 3.49Å; S180-Q183 PolarHBondContact O-N 3.29Å; S180-Q183 VanDerWaalsContact O-N 3.14Å; S180-Y201 CarbonylContact C-O 2.97Å; S180-Y201 WeakPolarHBondContact CA-O 3.25Å; S180-Y201 VanDerWaalsContact CB-CE2 3.45Å; S180-Y201 WeakPolarHBondContact CB-OH 3.48Å; S180-Y201 VanDerWaalsContact N-CE1 3.27Å; S180-Y201 VanDerWaalsContact N-CZ 3.26Å; S180-Y201 PolarHBondContact N-OH 3.04Å
181	I	98.4	Very high	97.2	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.9	162.3	-60.9	-56.2	0	0	0	107.7	N200 Y201 Y202 L203 G453	I181-N200 HydrophobicContact CD1-CB 4.39Å; I181-N200 HydrophobicContact CG1-CB 3.66Å; I181-Y201 PolarHBondContact N-O 2.73Å; I181-Y202 HydrophobicContact CB-CD1 3.83Å; I181-Y202 HydrophobicContact CB-CE1 3.96Å; I181-Y202 HydrophobicContact CB-CG 4.43Å; I181-Y202 HydrophobicContact CG1-CE1 4.48Å; I181-Y202 HydrophobicContact CG2-CD1 3.72Å; I181-Y202 HydrophobicContact CG2-CE1 3.59Å; I181-L203 PolarHBondContact O-N 3.18Å; I181-G453 VanDerWaalsContact CG2-C 3.43Å
182	P	98.2	Very high	97.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.013	12%	0.115	C	C	.	.	S	Bend	cis	-65.8	148.3	-1.6	-20	33.1	0	0	0	114.1	S180 W209 P240 T241 F410 F452 G453	S180-P182 CarbonylContact C-O 3.18Å; S180-P182 CarbonylContact O-C 3.5Å; S180-P182 PolarHBondContact OG-O 2.98Å; P182-W209 HydrophobicContact CG-CH2 4.12Å; P182-W209 HydrophobicContact CG-CZ3 4.07Å; P182-P240 HydrophobicContact CB-CG 3.67Å; P182-T241 HydrophobicContact CB-CG2 4.34Å; P182-T241 HydrophobicContact CG-CG2 4.01Å; P182-F410 HydrophobicContact CB-CD1 4.45Å; P182-F410 HydrophobicContact CB-CE1 3.86Å; P182-F410 HydrophobicContact CB-CZ 4.03Å; P182-F410 HydrophobicContact CG-CD1 3.83Å; P182-F410 HydrophobicContact CG-CE1 3.29Å; P182-F410 HydrophobicContact CG-CZ 3.95Å; P182-F452 CarbonylContact C-O 3.47Å; P182-F452 WeakPolarHBondContact CA-O 3.37Å; P182-F452 HydrophobicContact CB-CB 4.01Å; P182-G453 WeakPolarHBondContact CA-O 3.46Å; P182-G453 WeakPolarHBondContact CB-O 3.48Å
183	Q	94.1	Very high	97.3	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.056	10%	0.099	C	C	.	.			trans	-107.7	164.7	-178.8	69.6	-177.9	-65	0	0	112.8	I179 S180 S188 N239 F452	I179-Q183 HydrophobicContact CD1-CB 4.34Å; S180-Q183 WeakPolarHBondContact O-CA 3.42Å; S180-Q183 WeakPolarHBondContact O-CB 3.49Å; S180-Q183 PolarHBondContact O-N 3.29Å; S180-Q183 VanDerWaalsContact O-N 3.14Å; Q183-S188 PolarHBondContact NE2-OG 3.15Å; Q183-S188 PolarHBondContact OE1-OG 2.67Å; Q183-N239 CarbonylContact C-O 3.53Å; Q183-F452 WeakPolarHBondContact CG-O 3.39Å; Q183-F452 PolarHBondContact N-O 3.2Å; Q183-F452 VanDerWaalsContact O-CD1 3.25Å; Q183-F452 WeakPolarHBondContact O-CD1 3.17Å
184	Y	96.3	Very high	97.4	Very high	37 Å²	37	15 Å²	15	15%	0.145	8%	0.08	C	C	.	.			trans	-81.7	120.4	152.7	176.7	-132.2	0	0	0	109.7	Y30 L186 Y187 N239	Y30-Y184 PolarHBondContact OH-OH 2.78Å; Y184-L186 HydrophobicContact CD1-CB 3.56Å; Y184-L186 HydrophobicContact CD1-CD2 4.33Å; Y184-L186 HydrophobicContact CE1-CB 3.29Å; Y184-L186 HydrophobicContact CE1-CD2 3.78Å; Y184-L186 HydrophobicContact CE1-CG 4.18Å; Y184-L186 HydrophobicContact CG-CB 4.39Å; Y184-L186 PolarHBondContact O-N 2.84Å; Y184-Y187 HydrophobicContact CD1-CE2 4.4Å; Y184-Y187 WeakPolarHBondContact O-CD2 3.25Å; Y184-Y187 PolarHBondContact O-N 2.78Å; Y184-Y187 VanDerWaalsContact O-N 3.1Å; Y184-N239 VanDerWaalsContact CD2-ND2 3.3Å; Y184-N239 WeakPolarHBondContact CD2-ND2 3.36Å; Y184-N239 PolarHBondContact N-O 3.33Å
185	P	93.5	Very high	97.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-2.8	-167.5	-26.6	37.9	0	0	0	116.4	Y30 V32 Y187 S188 A189 G451 F452	Y30-P185 HydrophobicContact CD2-CB 3.93Å; Y30-P185 HydrophobicContact CE2-CB 4.06Å; V32-P185 HydrophobicContact CG2-CG 4.17Å; P185-Y187 PolarHBondContact O-N 3.34Å; P185-S188 PolarHBondContact O-OG 3.1Å; P185-A189 VanDerWaalsContact O-CB 3.22Å; P185-A189 WeakPolarHBondContact O-CB 3.33Å; P185-A189 PolarHBondContact O-N 3.08Å; P185-G451 WeakPolarHBondContact CG-O 3.46Å; P185-F452 HydrophobicContact CG-CD1 3.85Å; P185-F452 HydrophobicContact CG-CE1 4.12Å
186	L	95.8	Very high	97.3	Very high	24 Å²	24	14.1 Å²	14.1	13%	0.126	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-38.7	169.4	172.7	67.1	0	0	0	110.8	I159 V160 Y184 A190	I159-L186 HydrophobicContact CB-CD2 4.47Å; I159-L186 HydrophobicContact CD1-CD2 3.94Å; I159-L186 HydrophobicContact CG2-CD2 4.35Å; V160-L186 HydrophobicContact CG2-CD1 4.44Å; Y184-L186 HydrophobicContact CD1-CB 3.56Å; Y184-L186 HydrophobicContact CD1-CD2 4.33Å; Y184-L186 HydrophobicContact CE1-CB 3.29Å; Y184-L186 HydrophobicContact CE1-CD2 3.78Å; Y184-L186 HydrophobicContact CE1-CG 4.18Å; Y184-L186 HydrophobicContact CG-CB 4.39Å; Y184-L186 PolarHBondContact O-N 2.84Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.27Å; L186-A190 PolarHBondContact O-N 3.12Å
187	Y	98.1	Very high	97.3	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-59.9	-176.7	-72.4	-84.4	0	0	0	111	I159 I179 Y184 P185 A189 A190 L191 C233 I235 D267	I159-Y187 WeakPolarHBondContact CD1-OH 3.32Å; I159-Y187 HydrophobicContact CG2-CD1 4.22Å; I159-Y187 HydrophobicContact CG2-CE1 3.68Å; I179-Y187 HydrophobicContact CG2-CD1 4.42Å; I179-Y187 HydrophobicContact CG2-CG 4.44Å; Y184-Y187 HydrophobicContact CD1-CE2 4.4Å; Y184-Y187 WeakPolarHBondContact O-CD2 3.25Å; Y184-Y187 PolarHBondContact O-N 2.78Å; Y184-Y187 VanDerWaalsContact O-N 3.1Å; P185-Y187 PolarHBondContact O-N 3.34Å; Y187-A189 VanDerWaalsContact C-N 3.28Å; Y187-A189 PolarHBondContact O-N 3.01Å; Y187-A190 PolarHBondContact O-N 3.32Å; Y187-L191 VanDerWaalsContact O-CG 3.27Å; Y187-L191 WeakPolarHBondContact O-CG 3.5Å; Y187-L191 PolarHBondContact O-N 2.94Å; Y187-C233 HydrophobicContact CD1-CB 4.03Å; Y187-C233 HydrophobicContact CE1-CB 3.79Å; Y187-I235 HydrophobicContact CD2-CD1 4.11Å; Y187-I235 HydrophobicContact CE2-CD1 3.79Å; Y187-I235 HydrophobicContact CE2-CG1 4.05Å; Y187-D267 WeakPolarHBondContact OH-CB 3.48Å; Y187-D267 PolarHBondContact OH-OD2 3.46Å
188	S	97	Very high	97.3	Very high	20 Å²	20	19 Å²	19	14%	0.14	11%	0.11	C	C	.	.	H	α-helix	trans	-52.2	-43.5	174.8	43.1	0	0	0	0	113.6	Q183 P185 A190 L191 A192	Q183-S188 PolarHBondContact NE2-OG 3.15Å; Q183-S188 PolarHBondContact OE1-OG 2.67Å; P185-S188 PolarHBondContact O-OG 3.1Å; S188-A190 PolarHBondContact O-N 3.06Å; S188-L191 PolarHBondContact O-N 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.42Å; S188-A192 PolarHBondContact O-N 2.84Å
189	A	96	Very high	97.3	Very high	10 Å²	10	19.4 Å²	19.4	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-46.8	176.2	0	0	0	0	0	112.3	V28 Y30 P185 Y187 A192 D193	V28-A189 HydrophobicContact CG1-CB 3.88Å; Y30-A189 HydrophobicContact CD2-CB 4.32Å; P185-A189 VanDerWaalsContact O-CB 3.22Å; P185-A189 WeakPolarHBondContact O-CB 3.33Å; P185-A189 PolarHBondContact O-N 3.08Å; Y187-A189 VanDerWaalsContact C-N 3.28Å; Y187-A189 PolarHBondContact O-N 3.01Å; A189-A192 PolarHBondContact O-N 3.38Å; A189-D193 PolarHBondContact O-N 3.46Å; A189-D193 VanDerWaalsContact O-N 3.09Å
190	A	97.6	Very high	97.2	Very high	8 Å²	8	21.9 Å²	21.9	7%	0.066	13%	0.125	C	C	.	.	H	α-helix	trans	-65.9	-39.8	177.8	0	0	0	0	0	112.2	V160 L163 L186 Y187 S188 D193 L194	V160-A190 HydrophobicContact CG2-CB 4.05Å; L163-A190 HydrophobicContact CD1-CB 3.81Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.27Å; L186-A190 PolarHBondContact O-N 3.12Å; Y187-A190 PolarHBondContact O-N 3.32Å; S188-A190 PolarHBondContact O-N 3.06Å; A190-D193 PolarHBondContact O-N 2.92Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 VanDerWaalsContact O-CG 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.43Å; A190-L194 PolarHBondContact O-N 3.03Å
191	L	98.1	Very high	97.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-40.5	176.9	-62.8	-179.6	0	0	0	111.5	L163 V177 I179 Y187 S188 L194 A195 A196 Q198	L163-L191 HydrophobicContact CD1-CD2 4.32Å; L163-L191 HydrophobicContact CD2-CD2 4.07Å; V177-L191 HydrophobicContact CB-CD1 3.89Å; V177-L191 HydrophobicContact CB-CD2 3.55Å; V177-L191 HydrophobicContact CB-CG 4.39Å; V177-L191 HydrophobicContact CG1-CD1 4.15Å; V177-L191 HydrophobicContact CG1-CD2 3.87Å; V177-L191 HydrophobicContact CG2-CD2 3.51Å; I179-L191 HydrophobicContact CD1-CD1 4.32Å; I179-L191 HydrophobicContact CG2-CD1 4.07Å; Y187-L191 VanDerWaalsContact O-CG 3.27Å; Y187-L191 WeakPolarHBondContact O-CG 3.5Å; Y187-L191 PolarHBondContact O-N 2.94Å; S188-L191 PolarHBondContact O-N 3.23Å; L191-L194 PolarHBondContact O-N 3.23Å; L191-A195 WeakPolarHBondContact O-CA 3.49Å; L191-A195 PolarHBondContact O-N 2.76Å; L191-A196 HydrophobicContact CB-CB 4.13Å; L191-A196 HydrophobicContact CD2-CB 3.67Å; L191-A196 HydrophobicContact CG-CB 4.45Å; L191-A196 PolarHBondContact O-N 3.43Å; L191-Q198 HydrophobicContact CD1-CB 3.98Å; L191-Q198 HydrophobicContact CD1-CG 4.05Å
192	A	97	Very high	97.3	Very high	18 Å²	18	25 Å²	25	15%	0.149	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-44.6	175.9	0	0	0	0	0	112.3	N24 R27 V28 S188 A189 A195	N24-A192 WeakPolarHBondContact CB-O 2.9Å; R27-A192 HydrophobicContact CB-CB 4.19Å; R27-A192 PolarHBondContact NH2-O 3.31Å; V28-A192 HydrophobicContact CG2-CB 4.04Å; S188-A192 WeakPolarHBondContact O-CB 3.42Å; S188-A192 PolarHBondContact O-N 2.84Å; A189-A192 PolarHBondContact O-N 3.38Å; A192-A195 PolarHBondContact O-N 2.91Å
193	D	96.9	Very high	97.3	Very high	72 Å²	72	25.4 Å²	25.4	39%	0.385	14%	0.138	S	C	.	.	H	α-helix	trans	-63.2	-43.2	177.8	-173	47	0	0	0	112.1	N24 V28 A189 A190 A195	N24-D193 WeakPolarHBondContact CB-O 3.5Å; N24-D193 PolarHBondContact ND2-O 3.14Å; V28-D193 HydrophobicContact CG2-CB 3.93Å; A189-D193 PolarHBondContact O-N 3.46Å; A189-D193 VanDerWaalsContact O-N 3.09Å; A190-D193 PolarHBondContact O-N 2.92Å; D193-A195 VanDerWaalsContact C-N 3.27Å; D193-A195 PolarHBondContact O-N 2.89Å
194	L	97.4	Very high	97.4	Very high	34 Å²	34	27.3 Å²	27.3	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-81.2	-2.9	179	-64.4	172.2	0	0	0	113.8	L163 K164 V167 A190 L191 A196	L163-L194 HydrophobicContact CB-CD1 3.56Å; K164-L194 HydrophobicContact CB-CD1 4.39Å; K164-L194 HydrophobicContact CB-CD2 4.03Å; K164-L194 HydrophobicContact CG-CD2 4.06Å; V167-L194 HydrophobicContact CB-CB 4.45Å; V167-L194 HydrophobicContact CG1-CB 4.23Å; V167-L194 WeakPolarHBondContact CG1-O 3.25Å; V167-L194 HydrophobicContact CG2-CB 4.36Å; V167-L194 HydrophobicContact CG2-CD1 4.37Å; A190-L194 WeakPolarHBondContact O-CB 3.38Å; A190-L194 VanDerWaalsContact O-CG 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.43Å; A190-L194 PolarHBondContact O-N 3.03Å; L191-L194 PolarHBondContact O-N 3.23Å; L194-A196 PolarHBondContact O-N 3.5Å
195	A	97.1	Very high	97.5	Very high	24 Å²	24	26.8 Å²	26.8	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.3	-172.8	0	0	0	0	0	114	R174 L191 A192 D193	R174-A195 WeakPolarHBondContact CD-O 3.47Å; R174-A195 PolarHBondContact NE-O 3.24Å; L191-A195 WeakPolarHBondContact O-CA 3.49Å; L191-A195 PolarHBondContact O-N 2.76Å; A192-A195 PolarHBondContact O-N 2.91Å; D193-A195 VanDerWaalsContact C-N 3.27Å; D193-A195 PolarHBondContact O-N 2.89Å
196	A	98.2	Very high	97.7	Very high	15 Å²	15	33.6 Å²	33.6	12%	0.124	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-79.2	156.9	170.6	0	0	0	0	0	111	V167 V177 L191 L194	V167-A196 HydrophobicContact CG1-CB 3.96Å; V167-A196 HydrophobicContact CG2-CB 3.64Å; V177-A196 HydrophobicContact CG2-CB 4.4Å; L191-A196 HydrophobicContact CB-CB 4.13Å; L191-A196 HydrophobicContact CD2-CB 3.67Å; L191-A196 HydrophobicContact CG-CB 4.45Å; L191-A196 PolarHBondContact O-N 3.43Å; L194-A196 PolarHBondContact O-N 3.5Å
197	V	98.4	Very high	97.6	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.218	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122	172.4	178	0	0	0	0	109	R174 T175 G176 V177 C227	R174-V197 HydrophobicContact CB-CG2 4.19Å; R174-V197 HydrophobicContact CG-CG2 3.87Å; T175-V197 PolarHBondContact O-N 2.9Å; G176-V197 CarbonylContact C-O 3.58Å; G176-V197 VanDerWaalsContact CA-O 3.29Å; G176-V197 WeakPolarHBondContact CA-O 3.43Å; V177-V197 PolarHBondContact N-O 3.45Å; V197-C227 HydrophobicContact CB-CB 3.75Å; V197-C227 HydrophobicContact CG1-CB 3.81Å; V197-C227 HydrophobicContact CG2-CB 3.73Å
198	Q	98.6	Very high	97.5	Very high	68 Å²	68	39.1 Å²	39.1	32%	0.318	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.7	173.4	-177.1	179.4	-46.4	0	0	109.8	I179 L191 N200	I179-Q198 HydrophobicContact CD1-CG 3.58Å; I179-Q198 HydrophobicContact CG1-CG 3.9Å; L191-Q198 HydrophobicContact CD1-CB 3.98Å; L191-Q198 HydrophobicContact CD1-CG 4.05Å; Q198-N200 WeakPolarHBondContact CG-OD1 3.45Å; Q198-N200 PolarHBondContact NE2-OD1 2.86Å
199	I	98.7	Very high	97.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.1	174.8	-55.5	167.2	0	0	0	107.5	V177 M178 I179 A219 A223 P229	V177-I199 PolarHBondContact O-N 2.84Å; M178-I199 CarbonylContact C-O 3.5Å; M178-I199 VanDerWaalsContact CA-O 3.28Å; M178-I199 WeakPolarHBondContact CA-O 3.28Å; M178-I199 HydrophobicContact CB-CB 4.46Å; M178-I199 HydrophobicContact CG-CB 3.94Å; M178-I199 HydrophobicContact CG-CD1 4.01Å; M178-I199 HydrophobicContact CG-CG2 3.9Å; I179-I199 PolarHBondContact N-O 3.29Å; I199-A219 HydrophobicContact CG2-CB 4.12Å; I199-A223 HydrophobicContact CB-CB 4.29Å; I199-A223 HydrophobicContact CD1-CB 3.49Å; I199-A223 VanDerWaalsContact CD1-CB 3.49Å; I199-A223 HydrophobicContact CG1-CB 3.58Å; I199-A223 HydrophobicContact CG2-CB 3.75Å; I199-P229 HydrophobicContact CD1-CB 3.73Å; I199-P229 HydrophobicContact CD1-CG 3.73Å
200	N	98.5	Very high	97.5	Very high	55 Å²	55	39.4 Å²	39.4	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.7	-178.7	-66.2	-17.3	0	0	0	110.2	I181 Q198 A219	I181-N200 HydrophobicContact CD1-CB 4.39Å; I181-N200 HydrophobicContact CG1-CB 3.66Å; Q198-N200 WeakPolarHBondContact CG-OD1 3.45Å; Q198-N200 PolarHBondContact NE2-OD1 2.86Å; N200-A219 VanDerWaalsContact O-CB 3.26Å; N200-A219 WeakPolarHBondContact O-CB 3.49Å
201	Y	98.5	Very high	97.3	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.9	161	68.5	-99.5	0	0	0	109.4	M178 I179 S180 I181 L203 L211 E215 L216 L232 C233	M178-Y201 HydrophobicContact CB-CD1 4.08Å; M178-Y201 HydrophobicContact CB-CE1 4.35Å; I179-Y201 VanDerWaalsContact C-CD1 3.44Å; I179-Y201 VanDerWaalsContact O-CD1 3.27Å; I179-Y201 WeakPolarHBondContact O-CD1 3.39Å; I179-Y201 PolarHBondContact O-N 3.07Å; I179-Y201 VanDerWaalsContact O-N 3.11Å; S180-Y201 CarbonylContact C-O 2.97Å; S180-Y201 WeakPolarHBondContact CA-O 3.25Å; S180-Y201 VanDerWaalsContact CB-CE2 3.45Å; S180-Y201 WeakPolarHBondContact CB-OH 3.48Å; S180-Y201 VanDerWaalsContact N-CE1 3.27Å; S180-Y201 VanDerWaalsContact N-CZ 3.26Å; S180-Y201 PolarHBondContact N-OH 3.04Å; I181-Y201 PolarHBondContact N-O 2.73Å; Y201-L203 HydrophobicContact CE2-CD2 4Å; Y201-L211 HydrophobicContact CD2-CD2 4.01Å; Y201-L211 HydrophobicContact CE2-CD2 3.19Å; Y201-E215 WeakPolarHBondContact CA-OE1 3.3Å; Y201-L216 HydrophobicContact CD1-CD2 3.62Å; Y201-L216 HydrophobicContact CD2-CD2 3.7Å; Y201-L216 HydrophobicContact CE1-CD2 4.05Å; Y201-L216 HydrophobicContact CE2-CD2 4.17Å; Y201-L216 HydrophobicContact CG-CD2 3.41Å; Y201-L216 VanDerWaalsContact CG-CD2 3.41Å; Y201-L232 HydrophobicContact CD1-CD1 4.17Å; Y201-L232 HydrophobicContact CE1-CD1 3.64Å; Y201-C233 PolarHBondContact OH-O 3.29Å
202	Y	98.6	Very high	97.1	Very high	74 Å²	74	43.1 Å²	43.1	29%	0.29	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.6	-175.7	-67	-92.6	0	0	0	111.5	I181 E215 K455	I181-Y202 HydrophobicContact CB-CD1 3.83Å; I181-Y202 HydrophobicContact CB-CE1 3.96Å; I181-Y202 HydrophobicContact CB-CG 4.43Å; I181-Y202 HydrophobicContact CG1-CE1 4.48Å; I181-Y202 HydrophobicContact CG2-CD1 3.72Å; I181-Y202 HydrophobicContact CG2-CE1 3.59Å; Y202-E215 WeakPolarHBondContact CD2-OE1 3.47Å; Y202-E215 PolarHBondContact N-OE1 2.84Å; Y202-E215 WeakPolarHBondContact O-CG 3.46Å; Y202-K455 HydrophobicContact CD1-CB 4.39Å; Y202-K455 HydrophobicContact CE1-CB 4.47Å
203	L	98.4	Very high	97.1	Very high	12 Å²	12	44 Å²	44	6%	0.063	24%	0.238	C	C	.	.			trans	-75.4	146.8	168	-64.8	174.9	0	0	0	109.6	I181 Y201 E205 W209 L211 T241	I181-L203 PolarHBondContact O-N 3.18Å; Y201-L203 HydrophobicContact CE2-CD2 4Å; L203-E205 PolarHBondContact O-N 3.12Å; L203-W209 HydrophobicContact CB-CB 4.36Å; L203-W209 HydrophobicContact CB-CE3 3.7Å; L203-W209 HydrophobicContact CB-CZ3 4.43Å; L203-L211 HydrophobicContact CD2-CD2 3.54Å; L203-L211 HydrophobicContact CD2-CG 3.86Å; L203-T241 HydrophobicContact CD1-CG2 4.31Å
204	D	97.8	Very high	97.2	Very high	51 Å²	51	43.7 Å²	43.7	27%	0.273	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-84.9	93.9	-176.9	-169.2	-12	0	0	0	110.9	D206 N207 W209 S210	D204-D206 VanDerWaalsContact C-N 3.26Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 PolarHBondContact OD1-N 3.4Å; D204-N207 HydrophobicContact CB-CB 4.23Å; D204-N207 CarbonylContact O-C 3.53Å; D204-N207 VanDerWaalsContact O-C 3.3Å; D204-N207 PolarHBondContact O-N 3.29Å; D204-N207 VanDerWaalsContact O-N 3.15Å; D204-N207 PolarHBondContact OD1-N 2.82Å; D204-W209 WeakPolarHBondContact O-CA 3.45Å; D204-W209 PolarHBondContact O-N 3.45Å; D204-S210 PolarHBondContact N-O 3.01Å
205	E	97.9	Very high	97.2	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.121	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-53.7	-43.3	177.9	-174.1	175.8	-166.8	0	0	112	L203 N207 C208 W209 N401 R412 H460	L203-E205 PolarHBondContact O-N 3.12Å; E205-N207 PolarHBondContact O-N 3.12Å; E205-C208 PolarHBondContact O-N 2.87Å; E205-W209 HydrophobicContact CB-CD2 4.27Å; E205-W209 HydrophobicContact CB-CE3 3.91Å; E205-W209 HydrophobicContact CB-CH2 3.54Å; E205-W209 HydrophobicContact CB-CZ2 3.9Å; E205-W209 HydrophobicContact CB-CZ3 3.55Å; E205-W209 HydrophobicContact CG-CD2 4.43Å; E205-W209 HydrophobicContact CG-CE3 4.48Å; E205-W209 HydrophobicContact CG-CH2 3.57Å; E205-W209 HydrophobicContact CG-CZ2 3.47Å; E205-W209 VanDerWaalsContact CG-CZ2 3.47Å; E205-W209 HydrophobicContact CG-CZ3 4.1Å; E205-N401 PolarHBondContact O-ND2 2.88Å; E205-R412 VanDerWaalsContact OE1-CB 3.27Å; E205-R412 WeakPolarHBondContact OE1-CB 3.33Å; E205-R412 WeakPolarHBondContact OE1-CD 3.4Å; E205-R412 WeakPolarHBondContact OE2-CD 3.27Å; E205-R412 IonicContact OE2-NH1 3.59Å; E205-R412 PolarHBondContact OE2-NH1 2.87Å; E205-R412 VanDerWaalsContact OE2-NH1 3.12Å; E205-H460 IonicContact OE1-NE2 3.6Å; E205-H460 PolarHBondContact OE1-NE2 2.91Å; E205-H460 IonicContact OE2-NE2 3.51Å
206	D	96.3	Very high	97.3	Very high	145 Å²	145	42.5 Å²	42.5	78%	0.775	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-71.4	-16.6	-175.1	-62.5	-40.7	0	0	0	112	D204	D204-D206 VanDerWaalsContact C-N 3.26Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 PolarHBondContact OD1-N 3.4Å
207	N	95.4	Very high	97.3	Very high	97 Å²	97	45.5 Å²	45.5	52%	0.519	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-119.3	52.8	175.8	-166.9	32.7	0	0	0	111.8	D204 E205 W209 S210	D204-N207 HydrophobicContact CB-CB 4.23Å; D204-N207 CarbonylContact O-C 3.53Å; D204-N207 VanDerWaalsContact O-C 3.3Å; D204-N207 PolarHBondContact O-N 3.29Å; D204-N207 VanDerWaalsContact O-N 3.15Å; D204-N207 PolarHBondContact OD1-N 2.82Å; E205-N207 PolarHBondContact O-N 3.12Å; N207-W209 VanDerWaalsContact C-N 3.32Å; N207-W209 PolarHBondContact O-N 3.13Å; N207-S210 PolarHBondContact ND2-OG 3.4Å; N207-S210 VanDerWaalsContact O-CB 3.24Å; N207-S210 WeakPolarHBondContact O-CB 3.33Å; N207-S210 PolarHBondContact O-N 3.4Å; N207-S210 VanDerWaalsContact O-N 3.09Å; N207-S210 PolarHBondContact O-OG 3.21Å
208	C	95.1	Very high	97.3	Very high	45 Å²	45	48.5 Å²	48.5	30%	0.304	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	36.6	173.3	-61.9	0	0	0	0	114.7	E205 S210 Q243	E205-C208 PolarHBondContact O-N 2.87Å; C208-S210 PolarHBondContact O-N 3.16Å; C208-Q243 VanDerWaalsContact O-CB 3.24Å; C208-Q243 WeakPolarHBondContact O-CB 3.34Å
209	W	97.7	Very high	97.3	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.045	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	28.1	-177	-57.8	113.3	0	0	0	114.2	P182 L203 D204 E205 N207 T241 Q243 N401 F410 H460	P182-W209 HydrophobicContact CG-CH2 4.12Å; P182-W209 HydrophobicContact CG-CZ3 4.07Å; L203-W209 HydrophobicContact CB-CB 4.36Å; L203-W209 HydrophobicContact CB-CE3 3.7Å; L203-W209 HydrophobicContact CB-CZ3 4.43Å; D204-W209 WeakPolarHBondContact O-CA 3.45Å; D204-W209 PolarHBondContact O-N 3.45Å; E205-W209 HydrophobicContact CB-CD2 4.27Å; E205-W209 HydrophobicContact CB-CE3 3.91Å; E205-W209 HydrophobicContact CB-CH2 3.54Å; E205-W209 HydrophobicContact CB-CZ2 3.9Å; E205-W209 HydrophobicContact CB-CZ3 3.55Å; E205-W209 HydrophobicContact CG-CD2 4.43Å; E205-W209 HydrophobicContact CG-CE3 4.48Å; E205-W209 HydrophobicContact CG-CH2 3.57Å; E205-W209 HydrophobicContact CG-CZ2 3.47Å; E205-W209 VanDerWaalsContact CG-CZ2 3.47Å; E205-W209 HydrophobicContact CG-CZ3 4.1Å; N207-W209 VanDerWaalsContact C-N 3.32Å; N207-W209 PolarHBondContact O-N 3.13Å; W209-T241 HydrophobicContact CB-CG2 4.1Å; W209-T241 HydrophobicContact CD2-CG2 3.48Å; W209-T241 VanDerWaalsContact CD2-CG2 3.48Å; W209-T241 HydrophobicContact CE3-CG2 3.96Å; W209-T241 HydrophobicContact CG-CG2 3.56Å; W209-T241 HydrophobicContact CZ2-CG2 4.33Å; W209-Q243 HydrophobicContact CB-CB 4.12Å; W209-Q243 HydrophobicContact CB-CG 4.07Å; W209-Q243 WeakPolarHBondContact O-CG 3.41Å; W209-Q243 PolarHBondContact O-NE2 3.33Å; W209-Q243 VanDerWaalsContact O-NE2 3.08Å; W209-N401 PolarHBondContact NE1-ND2 2.97Å; W209-N401 VanDerWaalsContact NE1-ND2 3.17Å; W209-F410 HydrophobicContact CH2-CD1 4.36Å; W209-F410 AromaticContact CZ2-CD1 3.94Å; W209-F410 HydrophobicContact CZ2-CD1 3.94Å; W209-H460 AromaticContact CH2-NE2 3.82Å; W209-H460 AromaticContact CZ2-NE2 3.92Å
210	S	94.7	Very high	97.3	Very high	24 Å²	24	45 Å²	45	17%	0.168	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-64.2	153.6	175.5	56.7	0	0	0	0	111.7	D204 N207 C208	D204-S210 PolarHBondContact N-O 3.01Å; N207-S210 PolarHBondContact ND2-OG 3.4Å; N207-S210 VanDerWaalsContact O-CB 3.24Å; N207-S210 WeakPolarHBondContact O-CB 3.33Å; N207-S210 PolarHBondContact O-N 3.4Å; N207-S210 VanDerWaalsContact O-N 3.09Å; N207-S210 PolarHBondContact O-OG 3.21Å; C208-S210 PolarHBondContact O-N 3.16Å
211	L	94.8	Very high	97.3	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.094	25%	0.246	C	C	.	.			trans	-79.3	143	170.8	-71.1	154.3	0	0	0	109.9	Y201 L203 I234 Q245 V253	Y201-L211 HydrophobicContact CD2-CD2 4.01Å; Y201-L211 HydrophobicContact CE2-CD2 3.19Å; L203-L211 HydrophobicContact CD2-CD2 3.54Å; L203-L211 HydrophobicContact CD2-CG 3.86Å; L211-I234 HydrophobicContact CD1-CD1 4.03Å; L211-I234 HydrophobicContact CD1-CG2 3.87Å; L211-I234 HydrophobicContact CD2-CD1 4.25Å; L211-Q245 HydrophobicContact CD1-CG 3.94Å; L211-V253 HydrophobicContact CB-CG2 4.5Å; L211-V253 HydrophobicContact CD1-CG2 4.19Å
212	N	93.3	Very high	97.3	Very high	69 Å²	69	51.4 Å²	51.4	37%	0.369	27%	0.268	S	S	.	.			trans	-124.7	120.2	177.6	-174.5	-35.4	0	0	0	110.1	A214 E215 L216	N212-A214 VanDerWaalsContact C-N 3.29Å; N212-A214 PolarHBondContact O-N 2.97Å; N212-A214 VanDerWaalsContact OD1-CB 3.27Å; N212-A214 WeakPolarHBondContact OD1-CB 3.41Å; N212-A214 PolarHBondContact OD1-N 3.33Å; N212-E215 HydrophobicContact CB-CB 4.1Å; N212-E215 WeakPolarHBondContact O-CB 3.41Å; N212-E215 PolarHBondContact O-N 2.92Å; N212-E215 VanDerWaalsContact O-N 3.14Å; N212-L216 PolarHBondContact O-N 2.84Å
213	V	97	Very high	97.3	Very high	36 Å²	36	48 Å²	48	22%	0.218	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-31.1	-178.9	175.7	0	0	0	0	112.6	E215 L216 K217 D252 F256	V213-E215 VanDerWaalsContact C-N 3.28Å; V213-E215 PolarHBondContact O-N 3.29Å; V213-L216 PolarHBondContact O-N 2.89Å; V213-K217 HydrophobicContact CG1-CD 4.28Å; V213-K217 HydrophobicContact CG1-CG 4.44Å; V213-K217 WeakPolarHBondContact O-CG 3.45Å; V213-K217 PolarHBondContact O-N 3.4Å; V213-D252 HydrophobicContact CG2-CB 3.75Å; V213-F256 HydrophobicContact CG1-CB 4.11Å; V213-F256 HydrophobicContact CG1-CD2 4.08Å; V213-F256 HydrophobicContact CG1-CG 4.27Å
214	A	98	Very high	97.3	Very high	66 Å²	66	52.3 Å²	52.3	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-37.7	175.2	0	0	0	0	0	111.3	N212 K217 R218	N212-A214 VanDerWaalsContact C-N 3.29Å; N212-A214 PolarHBondContact O-N 2.97Å; N212-A214 VanDerWaalsContact OD1-CB 3.27Å; N212-A214 WeakPolarHBondContact OD1-CB 3.41Å; N212-A214 PolarHBondContact OD1-N 3.33Å; A214-K217 PolarHBondContact O-N 3.5Å; A214-R218 PolarHBondContact O-N 2.94Å
215	E	98.3	Very high	97.2	Very high	33 Å²	33	56.3 Å²	56.3	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-40.8	174.2	171	51.6	-156.9	0	0	111.8	Y201 Y202 N212 V213 K217 R218 A219	Y201-E215 WeakPolarHBondContact CA-OE1 3.3Å; Y202-E215 WeakPolarHBondContact CD2-OE1 3.47Å; Y202-E215 PolarHBondContact N-OE1 2.84Å; Y202-E215 WeakPolarHBondContact O-CG 3.46Å; N212-E215 HydrophobicContact CB-CB 4.1Å; N212-E215 WeakPolarHBondContact O-CB 3.41Å; N212-E215 PolarHBondContact O-N 2.92Å; N212-E215 VanDerWaalsContact O-N 3.14Å; V213-E215 VanDerWaalsContact C-N 3.28Å; V213-E215 PolarHBondContact O-N 3.29Å; E215-K217 VanDerWaalsContact C-N 3.34Å; E215-K217 PolarHBondContact O-N 3.27Å; E215-R218 WeakPolarHBondContact O-CB 3.16Å; E215-R218 PolarHBondContact O-N 3.29Å; E215-R218 IonicContact OE1-CZ 2.93Å; E215-R218 IonicContact OE1-NE 2.76Å; E215-R218 PolarHBondContact OE1-NE 3.05Å; E215-R218 IonicContact OE1-NH2 3.64Å; E215-R218 PolarHBondContact OE1-NH2 2.91Å; E215-R218 IonicContact OE2-CZ 2.79Å; E215-R218 IonicContact OE2-NE 2.76Å; E215-R218 PolarHBondContact OE2-NE 2.75Å; E215-R218 IonicContact OE2-NH2 3.95Å; E215-A219 WeakPolarHBondContact O-CB 3.26Å; E215-A219 PolarHBondContact O-N 2.88Å
216	L	98.6	Very high	97.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-45.4	172.1	-64.5	177.3	0	0	0	111.6	M178 Y201 N212 V213 R218 A219 L220 L232 V253 F256	M178-L216 HydrophobicContact CE-CB 4.29Å; M178-L216 HydrophobicContact CE-CD2 4.06Å; M178-L216 WeakPolarHBondContact CE-O 3.48Å; Y201-L216 HydrophobicContact CD1-CD2 3.62Å; Y201-L216 HydrophobicContact CD2-CD2 3.7Å; Y201-L216 HydrophobicContact CE1-CD2 4.05Å; Y201-L216 HydrophobicContact CE2-CD2 4.17Å; Y201-L216 HydrophobicContact CG-CD2 3.41Å; Y201-L216 VanDerWaalsContact CG-CD2 3.41Å; N212-L216 PolarHBondContact O-N 2.84Å; V213-L216 PolarHBondContact O-N 2.89Å; L216-R218 PolarHBondContact O-N 3.45Å; L216-A219 PolarHBondContact O-N 2.86Å; L216-L220 VanDerWaalsContact O-CB 3.26Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 PolarHBondContact O-N 3.14Å; L216-L232 HydrophobicContact CD1-CD2 4.31Å; L216-L232 HydrophobicContact CD2-CD1 4.01Å; L216-V253 HydrophobicContact CD1-CG2 4.22Å; L216-F256 HydrophobicContact CB-CD1 4.11Å; L216-F256 HydrophobicContact CB-CE1 3.66Å; L216-F256 HydrophobicContact CB-CE2 4.22Å; L216-F256 HydrophobicContact CB-CZ 3.7Å; L216-F256 HydrophobicContact CD1-CD1 3.86Å; L216-F256 HydrophobicContact CD1-CE1 4.1Å; L216-F256 HydrophobicContact CD1-CG 4.46Å; L216-F256 HydrophobicContact CG-CE1 4.4Å
217	K	98.6	Very high	97.3	Very high	79 Å²	79	52.8 Å²	52.8	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.4	-77.1	178.8	177.2	-173.1	0	111.8	V213 A214 E215 N221 F256 E259	V213-K217 HydrophobicContact CG1-CD 4.28Å; V213-K217 HydrophobicContact CG1-CG 4.44Å; V213-K217 WeakPolarHBondContact O-CG 3.45Å; V213-K217 PolarHBondContact O-N 3.4Å; A214-K217 PolarHBondContact O-N 3.5Å; E215-K217 VanDerWaalsContact C-N 3.34Å; E215-K217 PolarHBondContact O-N 3.27Å; K217-N221 WeakPolarHBondContact O-CB 3.44Å; K217-N221 PolarHBondContact O-N 3.15Å; K217-N221 PolarHBondContact O-ND2 3.47Å; K217-N221 VanDerWaalsContact O-ND2 3.13Å; K217-F256 HydrophobicContact CB-CE2 4.4Å; K217-F256 HydrophobicContact CG-CD2 3.87Å; K217-F256 HydrophobicContact CG-CE2 3.49Å; K217-F256 VanDerWaalsContact CG-CE2 3.49Å; K217-E259 IonicContact NZ-OE2 3.46Å
218	R	98.5	Very high	97.4	Very high	98 Å²	98	53.7 Å²	53.7	37%	0.37	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-55.5	175.6	-175.4	-155.2	65.4	70.9	5.8	110.9	A214 E215 L216 L220 N221 E222	A214-R218 PolarHBondContact O-N 2.94Å; E215-R218 WeakPolarHBondContact O-CB 3.16Å; E215-R218 PolarHBondContact O-N 3.29Å; E215-R218 IonicContact OE1-CZ 2.93Å; E215-R218 IonicContact OE1-NE 2.76Å; E215-R218 PolarHBondContact OE1-NE 3.05Å; E215-R218 IonicContact OE1-NH2 3.64Å; E215-R218 PolarHBondContact OE1-NH2 2.91Å; E215-R218 IonicContact OE2-CZ 2.79Å; E215-R218 IonicContact OE2-NE 2.76Å; E215-R218 PolarHBondContact OE2-NE 2.75Å; E215-R218 IonicContact OE2-NH2 3.95Å; L216-R218 PolarHBondContact O-N 3.45Å; R218-L220 VanDerWaalsContact C-N 3.32Å; R218-L220 PolarHBondContact O-N 3.47Å; R218-N221 PolarHBondContact O-N 2.78Å; R218-E222 IonicContact CZ-OE2 3.53Å; R218-E222 IonicContact NH1-OE2 3.61Å; R218-E222 PolarHBondContact NH1-OE2 2.91Å; R218-E222 PolarHBondContact O-N 2.86Å; R218-E222 VanDerWaalsContact O-N 3.08Å
219	A	98.7	Very high	97.6	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-42.5	-178.3	0	0	0	0	0	112.2	M178 I199 N200 E215 L216 A223	M178-A219 HydrophobicContact CE-CB 4.14Å; I199-A219 HydrophobicContact CG2-CB 4.12Å; N200-A219 VanDerWaalsContact O-CB 3.26Å; N200-A219 WeakPolarHBondContact O-CB 3.49Å; E215-A219 WeakPolarHBondContact O-CB 3.26Å; E215-A219 PolarHBondContact O-N 2.88Å; L216-A219 PolarHBondContact O-N 2.86Å; A219-A223 VanDerWaalsContact O-CB 3.25Å; A219-A223 WeakPolarHBondContact O-CB 3.39Å; A219-A223 PolarHBondContact O-N 3.01Å
220	L	98.7	Very high	97.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-47.5	177.3	-173.6	81.3	0	0	0	112.2	M178 L216 R218 A223 K224 P229 F256 E260 L262	M178-L220 HydrophobicContact CE-CB 4.13Å; M178-L220 HydrophobicContact SD-CB 4.36Å; M178-L220 HydrophobicContact SD-CD1 3.68Å; L216-L220 VanDerWaalsContact O-CB 3.26Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 PolarHBondContact O-N 3.14Å; R218-L220 VanDerWaalsContact C-N 3.32Å; R218-L220 PolarHBondContact O-N 3.47Å; L220-A223 PolarHBondContact O-N 2.93Å; L220-K224 WeakPolarHBondContact O-CG 3.48Å; L220-K224 PolarHBondContact O-N 3.35Å; L220-P229 HydrophobicContact CD1-CB 3.31Å; L220-P229 HydrophobicContact CD1-CG 3.66Å; L220-P229 HydrophobicContact CG-CG 4.41Å; L220-F256 HydrophobicContact CB-CZ 4.25Å; L220-F256 HydrophobicContact CD2-CE2 4.21Å; L220-F256 HydrophobicContact CD2-CZ 3.94Å; L220-E260 HydrophobicContact CD2-CB 3.81Å; L220-E260 HydrophobicContact CD2-CG 3.47Å; L220-E260 VanDerWaalsContact CD2-CG 3.47Å; L220-E260 WeakPolarHBondContact CD2-OE2 3.29Å; L220-L262 HydrophobicContact CD1-CD1 4.25Å; L220-L262 HydrophobicContact CD1-CD2 4.17Å
221	N	98.4	Very high	97.9	Very high	89 Å²	89	54.7 Å²	54.7	48%	0.476	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-36.5	-176.5	-73.7	-26.2	0	0	0	112.7	K217 R218	K217-N221 WeakPolarHBondContact O-CB 3.44Å; K217-N221 PolarHBondContact O-N 3.15Å; K217-N221 PolarHBondContact O-ND2 3.47Å; K217-N221 VanDerWaalsContact O-ND2 3.13Å; R218-N221 PolarHBondContact O-N 2.78Å
222	E	98.4	Very high	98	Very high	102 Å²	102	53.9 Å²	53.9	48%	0.477	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-47.8	171	-175.2	178.5	-174	0	0	110.6	R218 K224 Q225	R218-E222 IonicContact CZ-OE2 3.53Å; R218-E222 IonicContact NH1-OE2 3.61Å; R218-E222 PolarHBondContact NH1-OE2 2.91Å; R218-E222 PolarHBondContact O-N 2.86Å; R218-E222 VanDerWaalsContact O-N 3.08Å; E222-K224 PolarHBondContact O-N 2.8Å; E222-Q225 WeakPolarHBondContact O-CB 3.35Å; E222-Q225 WeakPolarHBondContact O-CG 3.5Å; E222-Q225 PolarHBondContact O-N 2.87Å; E222-Q225 VanDerWaalsContact O-N 3.17Å
223	A	98.4	Very high	98.3	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-34.2	-177.4	0	0	0	0	0	114.3	I199 A219 L220 Q225 H226 C227 P229	I199-A223 HydrophobicContact CB-CB 4.29Å; I199-A223 HydrophobicContact CD1-CB 3.49Å; I199-A223 VanDerWaalsContact CD1-CB 3.49Å; I199-A223 HydrophobicContact CG1-CB 3.58Å; I199-A223 HydrophobicContact CG2-CB 3.75Å; A219-A223 VanDerWaalsContact O-CB 3.25Å; A219-A223 WeakPolarHBondContact O-CB 3.39Å; A219-A223 PolarHBondContact O-N 3.01Å; L220-A223 PolarHBondContact O-N 2.93Å; A223-Q225 PolarHBondContact O-N 2.89Å; A223-H226 PolarHBondContact O-N 3.22Å; A223-C227 PolarHBondContact O-N 2.74Å; A223-C227 PolarHBondContact O-SG 3.2Å; A223-P229 HydrophobicContact CB-CG 4.04Å
224	K	97.8	Very high	98.4	Very high	102 Å²	102	49 Å²	49	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.7	175.9	-79.9	173.4	179.2	170.8	0	113	L220 E222 H226 P229 E260	L220-K224 WeakPolarHBondContact O-CG 3.48Å; L220-K224 PolarHBondContact O-N 3.35Å; E222-K224 PolarHBondContact O-N 2.8Å; K224-H226 VanDerWaalsContact C-N 3.35Å; K224-P229 HydrophobicContact CG-CG 4.04Å; K224-E260 IonicContact NZ-OE2 2.72Å; K224-E260 PolarHBondContact NZ-OE2 3.24Å
225	Q	97.1	Very high	98.4	Very high	136 Å²	136	46.4 Å²	46.4	64%	0.636	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-23.1	177.9	-57	-179.8	18.4	0	0	113.3	R172 E222 A223	R172-Q225 PolarHBondContact NE-O 3.47Å; E222-Q225 WeakPolarHBondContact O-CB 3.35Å; E222-Q225 WeakPolarHBondContact O-CG 3.5Å; E222-Q225 PolarHBondContact O-N 2.87Å; E222-Q225 VanDerWaalsContact O-N 3.17Å; A223-Q225 PolarHBondContact O-N 2.89Å
226	H	97.4	Very high	98.4	Very high	93 Å²	93	44.9 Å²	44.9	43%	0.431	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-3.1	-170.5	64.5	75.4	0	0	0	115	A223 K224	A223-H226 PolarHBondContact O-N 3.22Å; K224-H226 VanDerWaalsContact C-N 3.35Å
227	C	98.4	Very high	98.4	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.027	20%	0.204	C	C	.	.	S	Bend	trans	-153.8	177.5	173.2	71.5	0	0	0	0	110.8	R172 R174 V197 A223 P229	R172-C227 CarbonylContact O-C 3.58Å; R172-C227 WeakPolarHBondContact O-CA 3.2Å; R174-C227 WeakPolarHBondContact O-CB 3.3Å; V197-C227 HydrophobicContact CB-CB 3.75Å; V197-C227 HydrophobicContact CG1-CB 3.81Å; V197-C227 HydrophobicContact CG2-CB 3.73Å; A223-C227 PolarHBondContact O-N 2.74Å; A223-C227 PolarHBondContact O-SG 3.2Å; C227-P229 WeakPolarHBondContact O-CD 3.22Å
228	K	98.5	Very high	98.4	Very high	116 Å²	116	41.2 Å²	41.2	50%	0.504	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	97	173	-175.2	170.4	-176.9	172.1	0	109.2	R172 R174 G176 R230	R172-K228 PolarHBondContact O-N 3.21Å; R172-K228 VanDerWaalsContact O-N 3.14Å; R174-K228 PolarHBondContact O-N 3.2Å; G176-K228 PolarHBondContact N-O 2.85Å; K228-R230 HydrophobicContact CG-CG 4.15Å; K228-R230 PolarHBondContact O-N 2.52Å
229	P	98.6	Very high	98.4	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	131.3	174.2	-21.2	32.2	0	0	0	110.4	G176 I199 L220 A223 K224 C227 L262	G176-P229 WeakPolarHBondContact O-CA 3.4Å; I199-P229 HydrophobicContact CD1-CB 3.73Å; I199-P229 HydrophobicContact CD1-CG 3.73Å; L220-P229 HydrophobicContact CD1-CB 3.31Å; L220-P229 HydrophobicContact CD1-CG 3.66Å; L220-P229 HydrophobicContact CG-CG 4.41Å; A223-P229 HydrophobicContact CB-CG 4.04Å; K224-P229 HydrophobicContact CG-CG 4.04Å; C227-P229 WeakPolarHBondContact O-CD 3.22Å; P229-L262 HydrophobicContact CB-CD2 4.26Å
230	R	98.5	Very high	98.3	Very high	83 Å²	83	36.8 Å²	36.8	31%	0.313	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	-14.1	179	-65.3	-174.9	66.2	-159.6	-1.4	114.2	L166 C168 T175 G176 K228 F263	L166-R230 PolarHBondContact O-NH1 3.27Å; C168-R230 PolarHBondContact SG-NH1 2.72Å; C168-R230 VanDerWaalsContact SG-NH1 3.4Å; T175-R230 HydrophobicContact CG2-CB 4.14Å; T175-R230 HydrophobicContact CG2-CG 4.41Å; G176-R230 PolarHBondContact O-N 3.23Å; K228-R230 HydrophobicContact CG-CG 4.15Å; K228-R230 PolarHBondContact O-N 2.52Å; R230-F263 WeakPolarHBondContact O-CB 3.37Å; R230-F263 PolarHBondContact O-N 3.31Å
231	V	98.8	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.7	-167.8	-171.4	0	0	0	0	109.5	L166 V177 M178 F263 M265	L166-V231 HydrophobicContact CB-CG2 4.06Å; L166-V231 HydrophobicContact CD1-CG1 4.26Å; L166-V231 HydrophobicContact CD1-CG2 3.7Å; L166-V231 HydrophobicContact CG-CG2 4.32Å; V177-V231 HydrophobicContact CB-CB 4.29Å; V177-V231 HydrophobicContact CG1-CB 3.96Å; V177-V231 HydrophobicContact CG1-CG1 4.01Å; V177-V231 HydrophobicContact CG2-CB 4.01Å; V177-V231 HydrophobicContact CG2-CG2 4.08Å; M178-V231 WeakPolarHBondContact CB-O 3.27Å; M178-V231 PolarHBondContact N-O 3.16Å; V231-F263 WeakPolarHBondContact CA-O 3.48Å; V231-M265 HydrophobicContact CG1-CG 3.84Å; V231-M265 HydrophobicContact CG1-SD 3.59Å; V231-M265 VanDerWaalsContact CG1-SD 3.59Å
232	L	98.9	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.3	171.2	174.7	60.4	0	0	0	109.7	M178 Y201 L216 I234 V253 F256 L262 F263 L264 M265	M178-L232 HydrophobicContact CB-CD1 3.68Å; M178-L232 HydrophobicContact SD-CD1 4.35Å; Y201-L232 HydrophobicContact CD1-CD1 4.17Å; Y201-L232 HydrophobicContact CE1-CD1 3.64Å; L216-L232 HydrophobicContact CD1-CD2 4.31Å; L216-L232 HydrophobicContact CD2-CD1 4.01Å; L232-I234 HydrophobicContact CD1-CD1 3.89Å; L232-I234 HydrophobicContact CD2-CD1 4.14Å; L232-I234 HydrophobicContact CG-CD1 3.82Å; L232-I234 HydrophobicContact CG-CG1 4.28Å; L232-V253 HydrophobicContact CD2-CG1 3.84Å; L232-F256 HydrophobicContact CD2-CD1 3.97Å; L232-F256 HydrophobicContact CD2-CE1 4.13Å; L232-L262 HydrophobicContact CB-CB 4.38Å; L232-L262 HydrophobicContact CB-CD1 4.2Å; L232-F263 PolarHBondContact N-O 3.05Å; L232-L264 HydrophobicContact CB-CD2 4.16Å; L232-L264 HydrophobicContact CD2-CD2 4Å; L232-L264 HydrophobicContact CG-CD2 4.22Å; L232-M265 PolarHBondContact O-N 3.09Å
233	C	98.9	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.3	176.6	-56.2	0	0	0	0	110.1	V177 M178 I179 Y187 Y201 M265	V177-C233 VanDerWaalsContact CG1-SG 3.57Å; M178-C233 PolarHBondContact O-N 3.17Å; I179-C233 HydrophobicContact CG2-CB 4.18Å; Y187-C233 HydrophobicContact CD1-CB 4.03Å; Y187-C233 HydrophobicContact CE1-CB 3.79Å; Y201-C233 PolarHBondContact OH-O 3.29Å; C233-M265 CarbonylContact C-O 3.6Å; C233-M265 WeakPolarHBondContact CA-O 3.35Å; C233-M265 HydrophobicContact CB-CB 4.33Å
234	I	98.7	Very high	98.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.6	175.4	-52.6	-61.3	0	0	0	109.1	L211 L232 N236 V253 M265 D267 F284	L211-I234 HydrophobicContact CD1-CD1 4.03Å; L211-I234 HydrophobicContact CD1-CG2 3.87Å; L211-I234 HydrophobicContact CD2-CD1 4.25Å; L232-I234 HydrophobicContact CD1-CD1 3.89Å; L232-I234 HydrophobicContact CD2-CD1 4.14Å; L232-I234 HydrophobicContact CG-CD1 3.82Å; L232-I234 HydrophobicContact CG-CG1 4.28Å; I234-N236 HydrophobicContact CG2-CB 4.4Å; I234-V253 HydrophobicContact CD1-CG1 4.01Å; I234-V253 HydrophobicContact CG1-CG1 4.08Å; I234-M265 PolarHBondContact N-O 3.31Å; I234-D267 WeakPolarHBondContact O-CB 3.42Å; I234-D267 PolarHBondContact O-N 3.43Å; I234-F284 HydrophobicContact CB-CE2 4.11Å; I234-F284 HydrophobicContact CB-CZ 3.89Å; I234-F284 HydrophobicContact CG1-CE1 4.28Å; I234-F284 HydrophobicContact CG1-CZ 3.84Å; I234-F284 HydrophobicContact CG2-CE2 3.71Å; I234-F284 HydrophobicContact CG2-CZ 3.65Å
235	I	98.8	Very high	98.1	Very high	12 Å²	12	24 Å²	24	6%	0.062	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113	174.9	-48.4	176.3	0	0	0	108.2	Y187 G238 N239 D267	Y187-I235 HydrophobicContact CD2-CD1 4.11Å; Y187-I235 HydrophobicContact CE2-CD1 3.79Å; Y187-I235 HydrophobicContact CE2-CG1 4.05Å; I235-G238 WeakPolarHBondContact O-CA 3.27Å; I235-N239 HydrophobicContact CG2-CB 4.5Å; I235-D267 HydrophobicContact CB-CB 4.46Å; I235-D267 HydrophobicContact CG1-CB 4.23Å; I235-D267 HydrophobicContact CG2-CB 4.37Å
236	N	98.5	Very high	98.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.103	C	C	.	.	S	Bend	trans	-147.3	116.7	-176.1	-176.8	45.4	0	0	0	112.3	I234 Q245 D267 E268	I234-N236 HydrophobicContact CG2-CB 4.4Å; N236-Q245 HydrophobicContact CB-CG 4.24Å; N236-Q245 PolarHBondContact OD1-N 3.12Å; N236-D267 PolarHBondContact N-O 3.31Å; N236-E268 WeakPolarHBondContact O-CA 3.42Å
237	P	98.5	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	S	Bend	cis	-60.1	147.5	-6.7	-25.6	36	0	0	0	113.8	Q243 V244 Y270 V274 A406	P237-Q243 CarbonylContact C-O 3.59Å; P237-Q243 VanDerWaalsContact CA-O 3.3Å; P237-Q243 WeakPolarHBondContact CA-O 3.21Å; P237-V244 HydrophobicContact CB-CG2 4.01Å; P237-V244 HydrophobicContact CG-CG2 4.03Å; P237-Y270 WeakPolarHBondContact CG-O 3.41Å; P237-V274 HydrophobicContact CG-CG2 4.17Å; P237-A406 HydrophobicContact CB-CB 4.35Å
238	G	98.1	Very high	98.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.118	C	C	.	.			trans	-78.8	151.6	-167.3	0	0	0	0	0	115.7	I235 G242 Q243 A406	I235-G238 WeakPolarHBondContact O-CA 3.27Å; G238-G242 WeakPolarHBondContact O-CA 3.34Å; G238-G242 PolarHBondContact O-N 3.47Å; G238-Q243 VanDerWaalsContact CA-OE1 3.28Å; G238-Q243 PolarHBondContact N-O 3.02Å; G238-A406 WeakPolarHBondContact O-CB 3.28Å
239	N	97.7	Very high	98.1	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.037	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	120.7	172.9	168.4	16	0	0	0	107.7	Q183 Y184 I235 Y270 Y408 R462	Q183-N239 CarbonylContact C-O 3.53Å; Y184-N239 VanDerWaalsContact CD2-ND2 3.3Å; Y184-N239 WeakPolarHBondContact CD2-ND2 3.36Å; Y184-N239 PolarHBondContact N-O 3.33Å; I235-N239 HydrophobicContact CG2-CB 4.5Å; N239-Y270 HydrophobicContact CB-CE2 4.01Å; N239-Y408 HydrophobicContact CB-CD2 4.01Å; N239-Y408 HydrophobicContact CB-CE2 4Å; N239-Y408 WeakPolarHBondContact OD1-CD2 3.14Å; N239-Y408 VanDerWaalsContact OD1-CE2 3.31Å; N239-Y408 WeakPolarHBondContact OD1-CE2 3.37Å; N239-R462 PolarHBondContact OD1-NH1 3.49Å
240	P	97.6	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	-3.4	17.4	37.3	-40	0	0	0	116	P182 Y408 F410 F452 R462	P182-P240 HydrophobicContact CB-CG 3.67Å; P240-Y408 WeakPolarHBondContact O-CB 3.18Å; P240-F410 HydrophobicContact CB-CB 4.34Å; P240-F410 HydrophobicContact CB-CD2 3.58Å; P240-F410 HydrophobicContact CB-CE2 4.06Å; P240-F410 HydrophobicContact CB-CG 4.1Å; P240-F410 HydrophobicContact CG-CB 4.42Å; P240-F410 HydrophobicContact CG-CD1 4.3Å; P240-F410 HydrophobicContact CG-CD2 3.52Å; P240-F410 HydrophobicContact CG-CE1 4.43Å; P240-F410 HydrophobicContact CG-CE2 3.68Å; P240-F410 HydrophobicContact CG-CG 3.83Å; P240-F410 HydrophobicContact CG-CZ 4.12Å; P240-F452 HydrophobicContact CB-CD1 4.03Å; P240-F452 HydrophobicContact CB-CE1 4.13Å; P240-F452 HydrophobicContact CB-CG 4.41Å; P240-F452 HydrophobicContact CG-CB 4.15Å; P240-F452 HydrophobicContact CG-CD1 3.87Å; P240-F452 HydrophobicContact CG-CE1 4.46Å; P240-F452 HydrophobicContact CG-CG 3.96Å; P240-R462 HydrophobicContact CB-CB 4.17Å; P240-R462 HydrophobicContact CB-CG 3.75Å
241	T	97.8	Very high	98.1	Very high	6 Å²	6	16.1 Å²	16.1	4%	0.037	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.6	-160	39.5	0	0	0	0	115.6	P182 L203 W209 Q243 F410	P182-T241 HydrophobicContact CB-CG2 4.34Å; P182-T241 HydrophobicContact CG-CG2 4.01Å; L203-T241 HydrophobicContact CD1-CG2 4.31Å; W209-T241 HydrophobicContact CB-CG2 4.1Å; W209-T241 HydrophobicContact CD2-CG2 3.48Å; W209-T241 VanDerWaalsContact CD2-CG2 3.48Å; W209-T241 HydrophobicContact CE3-CG2 3.96Å; W209-T241 HydrophobicContact CG-CG2 3.56Å; W209-T241 HydrophobicContact CZ2-CG2 4.33Å; T241-Q243 VanDerWaalsContact CB-OE1 3.23Å; T241-Q243 PolarHBondContact O-N 3.07Å; T241-Q243 VanDerWaalsContact OG1-CD 3.23Å; T241-Q243 PolarHBondContact OG1-NE2 3.26Å; T241-Q243 PolarHBondContact OG1-OE1 3.27Å; T241-F410 HydrophobicContact CG2-CB 4.49Å; T241-F410 HydrophobicContact CG2-CD1 4.33Å
242	G	97.2	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.			trans	71.6	8	172.6	0	0	0	0	0	115.6	G238 Q404 G405	G238-G242 WeakPolarHBondContact O-CA 3.34Å; G238-G242 PolarHBondContact O-N 3.47Å; G242-Q404 CarbonylContact O-C 3.49Å; G242-Q404 WeakPolarHBondContact O-CA 3.5Å; G242-Q404 PolarHBondContact O-N 2.78Å; G242-G405 PolarHBondContact O-N 3.1Å
243	Q	97.7	Very high	98.1	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.023	10%	0.097	C	C	.	.			trans	-76.4	156.8	177.4	84	-74.5	28.5	0	0	112.5	C208 W209 P237 G238 T241 Q404	C208-Q243 VanDerWaalsContact O-CB 3.24Å; C208-Q243 WeakPolarHBondContact O-CB 3.34Å; W209-Q243 HydrophobicContact CB-CB 4.12Å; W209-Q243 HydrophobicContact CB-CG 4.07Å; W209-Q243 WeakPolarHBondContact O-CG 3.41Å; W209-Q243 PolarHBondContact O-NE2 3.33Å; W209-Q243 VanDerWaalsContact O-NE2 3.08Å; P237-Q243 CarbonylContact C-O 3.59Å; P237-Q243 VanDerWaalsContact CA-O 3.3Å; P237-Q243 WeakPolarHBondContact CA-O 3.21Å; G238-Q243 VanDerWaalsContact CA-OE1 3.28Å; G238-Q243 PolarHBondContact N-O 3.02Å; T241-Q243 VanDerWaalsContact CB-OE1 3.23Å; T241-Q243 PolarHBondContact O-N 3.07Å; T241-Q243 VanDerWaalsContact OG1-CD 3.23Å; T241-Q243 PolarHBondContact OG1-NE2 3.26Å; T241-Q243 PolarHBondContact OG1-OE1 3.27Å; Q243-Q404 VanDerWaalsContact CA-OE1 3.28Å
244	V	98.3	Very high	98.1	Very high	12 Å²	12	18.6 Å²	18.6	7%	0.073	10%	0.096	C	C	.	.			trans	-121.8	118	173.5	-179.3	0	0	0	0	107.7	P237 V274 C279 Q404	P237-V244 HydrophobicContact CB-CG2 4.01Å; P237-V244 HydrophobicContact CG-CG2 4.03Å; V244-V274 HydrophobicContact CG1-CG2 4.42Å; V244-V274 HydrophobicContact CG2-CG1 4.23Å; V244-V274 HydrophobicContact CG2-CG2 4.13Å; V244-C279 HydrophobicContact CB-CB 4.25Å; V244-C279 HydrophobicContact CG1-CB 4.36Å; V244-Q404 HydrophobicContact CB-CB 4.11Å; V244-Q404 HydrophobicContact CG2-CB 3.72Å; V244-Q404 PolarHBondContact O-OE1 2.75Å
245	Q	97.3	Very high	98.1	Very high	6 Å²	6	22 Å²	22	3%	0.028	11%	0.109	C	C	.	.			trans	-69.9	137.6	-177.6	-58.6	-62.1	-21.3	0	0	110.8	L211 N236 C249 I250	L211-Q245 HydrophobicContact CD1-CG 3.94Å; N236-Q245 HydrophobicContact CB-CG 4.24Å; N236-Q245 PolarHBondContact OD1-N 3.12Å; Q245-C249 PolarHBondContact OE1-SG 3.18Å; Q245-I250 HydrophobicContact CB-CD1 4.39Å; Q245-I250 HydrophobicContact CB-CG1 4.06Å
246	S	97.2	Very high	98.1	Very high	67 Å²	67	21.4 Å²	21.4	47%	0.469	11%	0.106	S	C	.	.			trans	-68.9	157.6	174.4	73.2	0	0	0	0	111.1	Q248 C249 I250	S246-Q248 VanDerWaalsContact C-N 3.26Å; S246-Q248 PolarHBondContact O-N 3.04Å; S246-C249 WeakPolarHBondContact O-CB 3.37Å; S246-C249 PolarHBondContact O-N 3.17Å; S246-C249 WeakPolarHBondContact OG-CB 3.35Å; S246-C249 PolarHBondContact OG-N 3.12Å; S246-I250 WeakPolarHBondContact O-CG1 3.22Å; S246-I250 PolarHBondContact O-N 3.03Å; S246-I250 VanDerWaalsContact O-N 3.09Å
247	R	97.9	Very high	98.1	Very high	82 Å²	82	21.4 Å²	21.4	31%	0.309	11%	0.106	S	C	.	.	H	α-helix	trans	-55.4	-42.6	174.6	-173.9	178.3	175.7	-67.9	-12.9	112	I250 E251 V287 E290	R247-I250 PolarHBondContact O-N 3.13Å; R247-E251 IonicContact CZ-OE1 3.74Å; R247-E251 IonicContact NH1-OE1 2.79Å; R247-E251 PolarHBondContact NH1-OE1 2.94Å; R247-E251 IonicContact NH2-OE1 2.79Å; R247-E251 PolarHBondContact NH2-OE1 3.26Å; R247-E251 PolarHBondContact O-N 2.93Å; R247-V287 HydrophobicContact CG-CG2 4.1Å; R247-E290 IonicContact CZ-OE2 3.75Å; R247-E290 IonicContact NE-OE2 3.96Å; R247-E290 PolarHBondContact NE-OE2 3.46Å; R247-E290 VanDerWaalsContact NE-OE2 3.08Å; R247-E290 IonicContact NH2-OE2 2.77Å; R247-E290 PolarHBondContact NH2-OE2 3.12Å
248	Q	98	Very high	98.1	Very high	100 Å²	100	24 Å²	24	47%	0.467	12%	0.117	S	C	.	.	H	α-helix	trans	-61.8	-45	178.8	-174.5	62.4	53.1	0	0	111.7	S246 I250 E251 D252	S246-Q248 VanDerWaalsContact C-N 3.26Å; S246-Q248 PolarHBondContact O-N 3.04Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 3.41Å; Q248-E251 WeakPolarHBondContact O-CB 3.48Å; Q248-E251 PolarHBondContact O-N 3.09Å; Q248-D252 PolarHBondContact NE2-OD1 3.11Å; Q248-D252 PolarHBondContact O-N 3.47Å
249	C	97.8	Very high	98.1	Very high	14 Å²	14	29.2 Å²	29.2	10%	0.095	14%	0.141	C	C	.	.	H	α-helix	trans	-58.2	-43.8	176.4	176	0	0	0	0	111.6	Q245 S246 E251 D252 V253	Q245-C249 PolarHBondContact OE1-SG 3.18Å; S246-C249 WeakPolarHBondContact O-CB 3.37Å; S246-C249 PolarHBondContact O-N 3.17Å; S246-C249 WeakPolarHBondContact OG-CB 3.35Å; S246-C249 PolarHBondContact OG-N 3.12Å; C249-E251 PolarHBondContact O-N 3.3Å; C249-D252 PolarHBondContact O-N 3.3Å; C249-V253 VanDerWaalsContact O-CG2 3.31Å; C249-V253 WeakPolarHBondContact O-CG2 3.27Å; C249-V253 PolarHBondContact O-N 3.21Å
250	I	98.6	Very high	98.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-43.1	176.9	-64.7	168.9	0	0	0	111	Q245 S246 R247 Q248 D252 V253 I254 H282 F284 V287	Q245-I250 HydrophobicContact CB-CD1 4.39Å; Q245-I250 HydrophobicContact CB-CG1 4.06Å; S246-I250 WeakPolarHBondContact O-CG1 3.22Å; S246-I250 PolarHBondContact O-N 3.03Å; S246-I250 VanDerWaalsContact O-N 3.09Å; R247-I250 PolarHBondContact O-N 3.13Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 3.41Å; I250-D252 PolarHBondContact O-N 3.48Å; I250-V253 PolarHBondContact O-N 3.47Å; I250-I254 HydrophobicContact CG2-CD1 3.82Å; I250-I254 VanDerWaalsContact O-CG1 3.3Å; I250-I254 WeakPolarHBondContact O-CG1 3.28Å; I250-I254 PolarHBondContact O-N 3.28Å; I250-H282 HydrophobicContact CD1-CB 3.83Å; I250-H282 WeakPolarHBondContact CD1-O 3.49Å; I250-F284 HydrophobicContact CB-CZ 4.43Å; I250-F284 HydrophobicContact CD1-CE2 4.45Å; I250-F284 HydrophobicContact CG1-CE2 4.05Å; I250-F284 HydrophobicContact CG1-CZ 4.13Å; I250-F284 HydrophobicContact CG2-CD1 3.82Å; I250-F284 HydrophobicContact CG2-CD2 4.17Å; I250-F284 HydrophobicContact CG2-CE1 3.82Å; I250-F284 HydrophobicContact CG2-CE2 4.16Å; I250-F284 HydrophobicContact CG2-CG 3.99Å; I250-F284 HydrophobicContact CG2-CZ 3.97Å; I250-V287 HydrophobicContact CB-CG1 4.39Å; I250-V287 HydrophobicContact CB-CG2 4.3Å; I250-V287 HydrophobicContact CG2-CB 3.72Å; I250-V287 HydrophobicContact CG2-CG1 3.85Å; I250-V287 HydrophobicContact CG2-CG2 3.79Å
251	E	98.8	Very high	98.2	Very high	22 Å²	22	39.5 Å²	39.5	10%	0.103	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-45.1	174.4	-70.5	-171.7	164.7	0	0	112.1	R247 Q248 C249 V253 I254 R255 V287 M291	R247-E251 IonicContact CZ-OE1 3.74Å; R247-E251 IonicContact NH1-OE1 2.79Å; R247-E251 PolarHBondContact NH1-OE1 2.94Å; R247-E251 IonicContact NH2-OE1 2.79Å; R247-E251 PolarHBondContact NH2-OE1 3.26Å; R247-E251 PolarHBondContact O-N 2.93Å; Q248-E251 WeakPolarHBondContact O-CB 3.48Å; Q248-E251 PolarHBondContact O-N 3.09Å; C249-E251 PolarHBondContact O-N 3.3Å; E251-V253 VanDerWaalsContact C-N 3.29Å; E251-V253 PolarHBondContact O-N 2.8Å; E251-I254 PolarHBondContact O-N 3.23Å; E251-I254 VanDerWaalsContact O-N 3.17Å; E251-R255 WeakPolarHBondContact O-CG 3.06Å; E251-R255 PolarHBondContact O-N 3.07Å; E251-R255 IonicContact OE2-NH2 3.65Å; E251-R255 PolarHBondContact OE2-NH2 3.43Å; E251-V287 HydrophobicContact CB-CG1 4.27Å; E251-V287 HydrophobicContact CG-CG1 3.33Å; E251-M291 HydrophobicContact CB-CE 4.38Å; E251-M291 HydrophobicContact CB-SD 4.05Å; E251-M291 HydrophobicContact CG-CG 4.16Å; E251-M291 HydrophobicContact CG-SD 3.91Å
252	D	98.6	Very high	98.2	Very high	53 Å²	53	39.6 Å²	39.6	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-40	-180	-61.2	-18.8	0	0	0	111.2	V213 Q248 C249 I250 R255 F256	V213-D252 HydrophobicContact CG2-CB 3.75Å; Q248-D252 PolarHBondContact NE2-OD1 3.11Å; Q248-D252 PolarHBondContact O-N 3.47Å; C249-D252 PolarHBondContact O-N 3.3Å; I250-D252 PolarHBondContact O-N 3.48Å; D252-R255 PolarHBondContact O-N 2.98Å; D252-R255 IonicContact OD1-CZ 2.71Å; D252-R255 IonicContact OD1-NH1 3.7Å; D252-R255 PolarHBondContact OD1-NH1 2.87Å; D252-F256 WeakPolarHBondContact O-CB 3.31Å; D252-F256 PolarHBondContact O-N 3.32Å
253	V	98.6	Very high	98.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-41.6	174.2	171.2	0	0	0	0	111.8	L211 L216 L232 I234 C249 I250 E251 F256 A257 L264 F284	L211-V253 HydrophobicContact CB-CG2 4.5Å; L211-V253 HydrophobicContact CD1-CG2 4.19Å; L216-V253 HydrophobicContact CD1-CG2 4.22Å; L232-V253 HydrophobicContact CD2-CG1 3.84Å; I234-V253 HydrophobicContact CD1-CG1 4.01Å; I234-V253 HydrophobicContact CG1-CG1 4.08Å; C249-V253 VanDerWaalsContact O-CG2 3.31Å; C249-V253 WeakPolarHBondContact O-CG2 3.27Å; C249-V253 PolarHBondContact O-N 3.21Å; I250-V253 PolarHBondContact O-N 3.47Å; E251-V253 VanDerWaalsContact C-N 3.29Å; E251-V253 PolarHBondContact O-N 2.8Å; V253-F256 PolarHBondContact O-N 3.01Å; V253-A257 WeakPolarHBondContact O-CB 3.39Å; V253-A257 PolarHBondContact O-N 3.46Å; V253-L264 HydrophobicContact CG1-CD2 4.32Å; V253-F284 HydrophobicContact CB-CE1 4.37Å; V253-F284 HydrophobicContact CG1-CE1 3.88Å; V253-F284 HydrophobicContact CG1-CZ 4.26Å
254	I	98.9	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-42	177	-70.5	163.4	0	0	0	110.7	I250 E251 A257 K258 L264 F284 V287 L288 M291 Y295 V299	I250-I254 HydrophobicContact CG2-CD1 3.82Å; I250-I254 VanDerWaalsContact O-CG1 3.3Å; I250-I254 WeakPolarHBondContact O-CG1 3.28Å; I250-I254 PolarHBondContact O-N 3.28Å; E251-I254 PolarHBondContact O-N 3.23Å; E251-I254 VanDerWaalsContact O-N 3.17Å; I254-A257 PolarHBondContact O-N 3.18Å; I254-K258 PolarHBondContact O-N 3.37Å; I254-L264 HydrophobicContact CG1-CD1 4.02Å; I254-F284 HydrophobicContact CD1-CD1 4.21Å; I254-F284 HydrophobicContact CG1-CD1 4.03Å; I254-F284 HydrophobicContact CG1-CE1 4.29Å; I254-V287 HydrophobicContact CD1-CB 4.01Å; I254-V287 HydrophobicContact CD1-CG1 3.85Å; I254-L288 HydrophobicContact CD1-CB 4.01Å; I254-L288 HydrophobicContact CG2-CD1 3.55Å; I254-M291 HydrophobicContact CB-CE 4.11Å; I254-M291 HydrophobicContact CB-SD 3.83Å; I254-M291 HydrophobicContact CD1-SD 3.91Å; I254-M291 HydrophobicContact CG1-SD 4.49Å; I254-M291 HydrophobicContact CG2-CE 3.77Å; I254-M291 HydrophobicContact CG2-SD 3.62Å; I254-Y295 HydrophobicContact CG2-CD1 3.94Å; I254-Y295 HydrophobicContact CG2-CG 4.5Å; I254-V299 HydrophobicContact CG2-CG2 4.47Å
255	R	98.8	Very high	98.4	Very high	71 Å²	71	39 Å²	39	27%	0.268	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-47.8	174.4	-66.3	-169.4	-149	91.5	6.9	110.9	E251 D252 A257 K258 E259 M291 Y295	E251-R255 WeakPolarHBondContact O-CG 3.06Å; E251-R255 PolarHBondContact O-N 3.07Å; E251-R255 IonicContact OE2-NH2 3.65Å; E251-R255 PolarHBondContact OE2-NH2 3.43Å; D252-R255 PolarHBondContact O-N 2.98Å; D252-R255 IonicContact OD1-CZ 2.71Å; D252-R255 IonicContact OD1-NH1 3.7Å; D252-R255 PolarHBondContact OD1-NH1 2.87Å; R255-A257 PolarHBondContact O-N 3.17Å; R255-K258 PolarHBondContact O-N 2.85Å; R255-E259 WeakPolarHBondContact O-CB 3.37Å; R255-E259 WeakPolarHBondContact O-CG 3.34Å; R255-E259 PolarHBondContact O-N 3.33Å; R255-M291 HydrophobicContact CG-CE 3.56Å; R255-Y295 HydrophobicContact CB-CE1 4.43Å; R255-Y295 HydrophobicContact CG-CE1 3.87Å
256	F	98.8	Very high	98.5	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-46.2	176.5	172.9	-103	0	0	0	112.7	M178 V213 L216 K217 L220 L232 D252 V253 K258 E259 E260 L262	M178-F256 HydrophobicContact CE-CE1 4.4Å; M178-F256 HydrophobicContact CE-CZ 4.43Å; M178-F256 HydrophobicContact SD-CE1 4.39Å; V213-F256 HydrophobicContact CG1-CB 4.11Å; V213-F256 HydrophobicContact CG1-CD2 4.08Å; V213-F256 HydrophobicContact CG1-CG 4.27Å; L216-F256 HydrophobicContact CB-CD1 4.11Å; L216-F256 HydrophobicContact CB-CE1 3.66Å; L216-F256 HydrophobicContact CB-CE2 4.22Å; L216-F256 HydrophobicContact CB-CZ 3.7Å; L216-F256 HydrophobicContact CD1-CD1 3.86Å; L216-F256 HydrophobicContact CD1-CE1 4.1Å; L216-F256 HydrophobicContact CD1-CG 4.46Å; L216-F256 HydrophobicContact CG-CE1 4.4Å; K217-F256 HydrophobicContact CB-CE2 4.4Å; K217-F256 HydrophobicContact CG-CD2 3.87Å; K217-F256 HydrophobicContact CG-CE2 3.49Å; K217-F256 VanDerWaalsContact CG-CE2 3.49Å; L220-F256 HydrophobicContact CB-CZ 4.25Å; L220-F256 HydrophobicContact CD2-CE2 4.21Å; L220-F256 HydrophobicContact CD2-CZ 3.94Å; L232-F256 HydrophobicContact CD2-CD1 3.97Å; L232-F256 HydrophobicContact CD2-CE1 4.13Å; D252-F256 WeakPolarHBondContact O-CB 3.31Å; D252-F256 PolarHBondContact O-N 3.32Å; V253-F256 PolarHBondContact O-N 3.01Å; F256-K258 VanDerWaalsContact C-N 3.33Å; F256-K258 PolarHBondContact O-N 2.95Å; F256-E259 PolarHBondContact O-N 2.96Å; F256-E260 HydrophobicContact CD2-CG 3.97Å; F256-E260 HydrophobicContact CE2-CG 3.61Å; F256-E260 HydrophobicContact CZ-CG 4.06Å; F256-E260 WeakPolarHBondContact O-CB 3.27Å; F256-E260 WeakPolarHBondContact O-CG 3.23Å; F256-E260 PolarHBondContact O-N 3.29Å; F256-L262 HydrophobicContact CD1-CD1 4.26Å; F256-L262 HydrophobicContact CE1-CD1 3.6Å; F256-L262 HydrophobicContact CZ-CD1 4.18Å
257	A	98.8	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-37.3	179.9	0	0	0	0	0	112.6	V253 I254 R255 H261 L262 L264	V253-A257 WeakPolarHBondContact O-CB 3.39Å; V253-A257 PolarHBondContact O-N 3.46Å; I254-A257 PolarHBondContact O-N 3.18Å; R255-A257 PolarHBondContact O-N 3.17Å; A257-H261 WeakPolarHBondContact O-CA 3.3Å; A257-H261 PolarHBondContact O-N 3.3Å; A257-L262 HydrophobicContact CB-CB 4.27Å; A257-L262 PolarHBondContact O-N 3.5Å; A257-L264 HydrophobicContact CB-CD1 3.97Å; A257-L264 HydrophobicContact CB-CD2 3.49Å; A257-L264 VanDerWaalsContact CB-CD2 3.49Å; A257-L264 HydrophobicContact CB-CG 3.65Å
258	K	98.5	Very high	98.6	Very high	55 Å²	55	32.1 Å²	32.1	24%	0.239	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-50	172.5	-174.1	-173	166.6	-149.1	0	111.7	I254 R255 F256 E260 H261 E294 Y295 V299	I254-K258 PolarHBondContact O-N 3.37Å; R255-K258 PolarHBondContact O-N 2.85Å; F256-K258 VanDerWaalsContact C-N 3.33Å; F256-K258 PolarHBondContact O-N 2.95Å; K258-E260 PolarHBondContact O-N 3.28Å; K258-H261 PolarHBondContact O-N 2.96Å; K258-E294 WeakPolarHBondContact CE-O 3.4Å; K258-E294 IonicContact NZ-OE1 2.74Å; K258-E294 PolarHBondContact NZ-OE1 3.41Å; K258-Y295 HydrophobicContact CB-CD1 4.22Å; K258-Y295 HydrophobicContact CB-CE1 4.35Å; K258-Y295 HydrophobicContact CD-CD1 3.39Å; K258-Y295 HydrophobicContact CD-CE1 3.45Å; K258-Y295 VanDerWaalsContact CD-CE1 3.45Å; K258-Y295 HydrophobicContact CD-CG 4.18Å; K258-Y295 HydrophobicContact CG-CD1 4.4Å; K258-V299 HydrophobicContact CB-CG2 3.75Å; K258-V299 HydrophobicContact CG-CG2 4.09Å
259	E	98.4	Very high	98.6	Very high	111 Å²	111	27.9 Å²	27.9	52%	0.519	13%	0.131	S	C	.	.	H	α-helix	trans	-55.9	-39.2	179.8	-77.3	172.7	-167	0	0	111.9	K217 R255 F256	K217-E259 IonicContact NZ-OE2 3.46Å; R255-E259 WeakPolarHBondContact O-CB 3.37Å; R255-E259 WeakPolarHBondContact O-CG 3.34Å; R255-E259 PolarHBondContact O-N 3.33Å; F256-E259 PolarHBondContact O-N 2.96Å
260	E	98.4	Very high	98.7	Very high	52 Å²	52	27.3 Å²	27.3	24%	0.243	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	7.1	-174	-61.2	-69.8	174.1	0	0	113.5	L220 K224 F256 K258 L262	L220-E260 HydrophobicContact CD2-CB 3.81Å; L220-E260 HydrophobicContact CD2-CG 3.47Å; L220-E260 VanDerWaalsContact CD2-CG 3.47Å; L220-E260 WeakPolarHBondContact CD2-OE2 3.29Å; K224-E260 IonicContact NZ-OE2 2.72Å; K224-E260 PolarHBondContact NZ-OE2 3.24Å; F256-E260 HydrophobicContact CD2-CG 3.97Å; F256-E260 HydrophobicContact CE2-CG 3.61Å; F256-E260 HydrophobicContact CZ-CG 4.06Å; F256-E260 WeakPolarHBondContact O-CB 3.27Å; F256-E260 WeakPolarHBondContact O-CG 3.23Å; F256-E260 PolarHBondContact O-N 3.29Å; K258-E260 PolarHBondContact O-N 3.28Å; E260-L262 HydrophobicContact CB-CD1 4Å; E260-L262 HydrophobicContact CB-CG 3.94Å; E260-L262 PolarHBondContact O-N 2.94Å
261	H	97.9	Very high	98.7	Very high	171 Å²	171	27.8 Å²	27.8	79%	0.792	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	51.1	-179.2	-63	-82.4	0	0	0	113.6	A257 K258	A257-H261 WeakPolarHBondContact O-CA 3.3Å; A257-H261 PolarHBondContact O-N 3.3Å; K258-H261 PolarHBondContact O-N 2.96Å
262	L	98.8	Very high	98.5	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-102.5	135	-179.5	-58.4	173.7	0	0	0	111.4	M178 L220 P229 L232 F256 A257 E260 L264	M178-L262 HydrophobicContact SD-CD1 3.92Å; L220-L262 HydrophobicContact CD1-CD1 4.25Å; L220-L262 HydrophobicContact CD1-CD2 4.17Å; P229-L262 HydrophobicContact CB-CD2 4.26Å; L232-L262 HydrophobicContact CB-CB 4.38Å; L232-L262 HydrophobicContact CB-CD1 4.2Å; F256-L262 HydrophobicContact CD1-CD1 4.26Å; F256-L262 HydrophobicContact CE1-CD1 3.6Å; F256-L262 HydrophobicContact CZ-CD1 4.18Å; A257-L262 HydrophobicContact CB-CB 4.27Å; A257-L262 PolarHBondContact O-N 3.5Å; E260-L262 HydrophobicContact CB-CD1 4Å; E260-L262 HydrophobicContact CB-CG 3.94Å; E260-L262 PolarHBondContact O-N 2.94Å; L262-L264 PolarHBondContact O-N 2.99Å
263	F	98.9	Very high	98.4	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.6	168.7	-168.6	-74.8	0	0	0	109.6	I162 L166 R230 V231 L232 M265 E300 A302 M327	I162-F263 HydrophobicContact CG2-CE1 3.85Å; I162-F263 HydrophobicContact CG2-CZ 4.25Å; L166-F263 HydrophobicContact CD1-CB 4.3Å; L166-F263 HydrophobicContact CD1-CD1 3.81Å; L166-F263 HydrophobicContact CD1-CD2 4.4Å; L166-F263 HydrophobicContact CD1-CE1 4.25Å; L166-F263 HydrophobicContact CD1-CG 3.9Å; L166-F263 HydrophobicContact CD2-CB 4.25Å; L166-F263 HydrophobicContact CD2-CD2 3.96Å; L166-F263 HydrophobicContact CD2-CG 4.08Å; R230-F263 WeakPolarHBondContact O-CB 3.37Å; R230-F263 PolarHBondContact O-N 3.31Å; V231-F263 WeakPolarHBondContact CA-O 3.48Å; L232-F263 PolarHBondContact N-O 3.05Å; F263-M265 HydrophobicContact CD1-CG 4.01Å; F263-M265 HydrophobicContact CE1-CG 4.15Å; F263-E300 HydrophobicContact CD2-CB 3.45Å; F263-E300 VanDerWaalsContact CD2-CB 3.45Å; F263-E300 HydrophobicContact CD2-CG 4.41Å; F263-E300 HydrophobicContact CE2-CB 3.71Å; F263-E300 HydrophobicContact CG-CB 4.24Å; F263-A302 HydrophobicContact CE1-CB 3.79Å; F263-A302 HydrophobicContact CZ-CB 4.06Å; F263-M327 HydrophobicContact CE2-CE 3.71Å; F263-M327 HydrophobicContact CZ-CE 3.84Å
264	L	98.9	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.3	178.8	-74.9	179.5	0	0	0	111.6	L232 V253 I254 A257 L262 F284 V299 E300 M301 A302	L232-L264 HydrophobicContact CB-CD2 4.16Å; L232-L264 HydrophobicContact CD2-CD2 4Å; L232-L264 HydrophobicContact CG-CD2 4.22Å; V253-L264 HydrophobicContact CG1-CD2 4.32Å; I254-L264 HydrophobicContact CG1-CD1 4.02Å; A257-L264 HydrophobicContact CB-CD1 3.97Å; A257-L264 HydrophobicContact CB-CD2 3.49Å; A257-L264 VanDerWaalsContact CB-CD2 3.49Å; A257-L264 HydrophobicContact CB-CG 3.65Å; L262-L264 PolarHBondContact O-N 2.99Å; L264-F284 HydrophobicContact CD1-CD1 4.29Å; L264-V299 HydrophobicContact CD1-CG1 3.68Å; L264-V299 HydrophobicContact CG-CG1 4.14Å; L264-E300 PolarHBondContact N-O 2.79Å; L264-M301 HydrophobicContact CB-CB 4.02Å; L264-M301 HydrophobicContact CB-CG 3.78Å; L264-M301 HydrophobicContact CB-SD 4.45Å; L264-M301 CarbonylContact O-C 3.5Å; L264-M301 VanDerWaalsContact O-CA 3.26Å; L264-M301 WeakPolarHBondContact O-CA 3.27Å; L264-A302 PolarHBondContact O-N 3.1Å
265	M	98.9	Very high	97.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	101.2	170.5	-73.6	-173.7	75.4	0	0	109	I159 I162 L163 V231 L232 C233 I234 F263 A302 F304	I159-M265 HydrophobicContact CB-CE 4.34Å; I159-M265 HydrophobicContact CG2-CE 3.95Å; I162-M265 HydrophobicContact CB-CE 4.06Å; I162-M265 HydrophobicContact CG2-CE 3.93Å; I162-M265 HydrophobicContact CG2-CG 4.22Å; I162-M265 HydrophobicContact CG2-SD 3.99Å; L163-M265 HydrophobicContact CD2-CE 4.2Å; L163-M265 HydrophobicContact CD2-SD 3.62Å; L163-M265 HydrophobicContact CG-CE 3.96Å; L163-M265 HydrophobicContact CG-SD 4.05Å; V231-M265 HydrophobicContact CG1-CG 3.84Å; V231-M265 HydrophobicContact CG1-SD 3.59Å; V231-M265 VanDerWaalsContact CG1-SD 3.59Å; L232-M265 PolarHBondContact O-N 3.09Å; C233-M265 CarbonylContact C-O 3.6Å; C233-M265 WeakPolarHBondContact CA-O 3.35Å; C233-M265 HydrophobicContact CB-CB 4.33Å; I234-M265 PolarHBondContact N-O 3.31Å; F263-M265 HydrophobicContact CD1-CG 4.01Å; F263-M265 HydrophobicContact CE1-CG 4.15Å; M265-A302 CarbonylContact C-O 3.44Å; M265-A302 WeakPolarHBondContact CA-O 3.3Å; M265-F304 HydrophobicContact CB-CE2 3.87Å; M265-F304 HydrophobicContact CE-CE1 4.48Å; M265-F304 HydrophobicContact CE-CE2 3.66Å; M265-F304 HydrophobicContact CE-CZ 3.44Å; M265-F304 VanDerWaalsContact CE-CZ 3.44Å; M265-F304 HydrophobicContact CG-CE2 4.18Å; M265-F304 HydrophobicContact CG-CZ 4.38Å
266	A	98.9	Very high	97.4	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.017	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	101.4	-177.2	0	0	0	0	0	111.1	E268 F284 A302 S303 F304	A266-E268 HydrophobicContact CB-CG 4.26Å; A266-E268 PolarHBondContact O-N 2.91Å; A266-F284 HydrophobicContact CB-CB 3.83Å; A266-F284 HydrophobicContact CB-CD2 3.79Å; A266-F284 HydrophobicContact CB-CG 3.82Å; A266-A302 PolarHBondContact N-O 3.23Å; A266-S303 CarbonylContact O-C 3.3Å; A266-S303 WeakPolarHBondContact O-CA 3.34Å; A266-F304 WeakPolarHBondContact O-CD2 3.31Å; A266-F304 PolarHBondContact O-N 3.02Å
267	D	98.9	Very high	96.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	98.1	176.8	-168.6	-18	0	0	0	110.5	Y187 I234 I235 N236 V269	Y187-D267 WeakPolarHBondContact OH-CB 3.48Å; Y187-D267 PolarHBondContact OH-OD2 3.46Å; I234-D267 WeakPolarHBondContact O-CB 3.42Å; I234-D267 PolarHBondContact O-N 3.43Å; I235-D267 HydrophobicContact CB-CB 4.46Å; I235-D267 HydrophobicContact CG1-CB 4.23Å; I235-D267 HydrophobicContact CG2-CB 4.37Å; N236-D267 PolarHBondContact N-O 3.31Å; D267-V269 VanDerWaalsContact OD1-CG1 3.28Å; D267-V269 WeakPolarHBondContact OD1-CG1 3.38Å; D267-V269 WeakPolarHBondContact OD1-CG2 3.47Å
268	E	98.8	Very high	96.5	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.014	22%	0.224	C	C	.	.			trans	-111.4	25.3	-170.9	-60.7	178.3	159.1	0	0	111.9	R138 N236 A266 Y270 Q271 F281 S283 F284 F304	R138-E268 IonicContact NH1-OE2 3.4Å; N236-E268 WeakPolarHBondContact O-CA 3.42Å; A266-E268 HydrophobicContact CB-CG 4.26Å; A266-E268 PolarHBondContact O-N 2.91Å; E268-Y270 PolarHBondContact O-N 2.99Å; E268-Q271 WeakPolarHBondContact O-CB 3.47Å; E268-Q271 PolarHBondContact O-N 3.18Å; E268-Q271 VanDerWaalsContact O-N 3.11Å; E268-Q271 PolarHBondContact O-NE2 2.93Å; E268-F281 HydrophobicContact CB-CE2 4.01Å; E268-F281 HydrophobicContact CB-CZ 3.93Å; E268-F281 HydrophobicContact CG-CE2 4.01Å; E268-F281 HydrophobicContact CG-CZ 3.98Å; E268-S283 VanDerWaalsContact OE1-CA 3.29Å; E268-S283 WeakPolarHBondContact OE1-CA 3.17Å; E268-F284 PolarHBondContact OE1-N 2.86Å; E268-F304 CarbonylContact C-O 3.59Å; E268-F304 PolarHBondContact N-O 3.15Å; E268-F304 VanDerWaalsContact N-O 3.11Å
269	V	98.6	Very high	96.3	Very high	12 Å²	12	40.4 Å²	40.4	7%	0.073	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.8	-176	-62.9	0	0	0	0	114.1	A155 D267 K309	A155-V269 HydrophobicContact CB-CG1 3.45Å; A155-V269 VanDerWaalsContact CB-CG1 3.45Å; D267-V269 VanDerWaalsContact OD1-CG1 3.28Å; D267-V269 WeakPolarHBondContact OD1-CG1 3.38Å; D267-V269 WeakPolarHBondContact OD1-CG2 3.47Å; V269-K309 HydrophobicContact CB-CG 4.21Å; V269-K309 HydrophobicContact CG2-CG 4.22Å; V269-K309 VanDerWaalsContact O-CB 3.27Å; V269-K309 WeakPolarHBondContact O-CB 3.45Å
270	Y	98.4	Very high	96.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	12.3	179.2	-72.6	-70.4	0	0	0	113.9	P237 N239 E268 D272 N273 K309 C310 A406 M407 Y408	P237-Y270 WeakPolarHBondContact CG-O 3.41Å; N239-Y270 HydrophobicContact CB-CE2 4.01Å; E268-Y270 PolarHBondContact O-N 2.99Å; Y270-D272 PolarHBondContact O-N 3.45Å; Y270-D272 VanDerWaalsContact O-N 3.07Å; Y270-N273 PolarHBondContact O-N 2.86Å; Y270-K309 HydrophobicContact CD1-CB 3.98Å; Y270-K309 HydrophobicContact CD1-CG 4.33Å; Y270-K309 HydrophobicContact CE1-CB 3.85Å; Y270-K309 HydrophobicContact CE1-CD 3.77Å; Y270-K309 HydrophobicContact CE1-CG 3.88Å; Y270-K309 WeakPolarHBondContact OH-CD 3.43Å; Y270-K309 WeakPolarHBondContact OH-CE 3.16Å; Y270-K309 PolarHBondContact OH-NZ 3.34Å; Y270-K309 VanDerWaalsContact OH-NZ 3.12Å; Y270-C310 VanDerWaalsContact C-SG 3.56Å; Y270-C310 VanDerWaalsContact CA-SG 3.55Å; Y270-A406 HydrophobicContact CD1-CB 3.76Å; Y270-A406 HydrophobicContact CD2-CB 3.91Å; Y270-A406 HydrophobicContact CE1-CB 4.16Å; Y270-A406 HydrophobicContact CE2-CB 4.36Å; Y270-A406 HydrophobicContact CG-CB 3.62Å; Y270-M407 HydrophobicContact CD1-CG 4.47Å; Y270-M407 HydrophobicContact CE1-CB 4.37Å; Y270-M407 HydrophobicContact CE1-CE 3.67Å; Y270-M407 HydrophobicContact CE1-CG 3.95Å; Y270-Y408 HydrophobicContact CE1-CE2 4.5Å; Y270-Y408 HydrophobicContact CE2-CE2 4.23Å; Y270-Y408 AromaticContact CZ-CE2 3.71Å; Y270-Y408 WeakPolarHBondContact OH-CE2 3.36Å; Y270-Y408 PolarHBondContact OH-OH 2.92Å
271	Q	98.3	Very high	96.2	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.047	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31	-168.6	68.7	-176.3	-80.5	0	0	115.8	Y134 E268 F281 H305	Y134-Q271 PolarHBondContact OH-OE1 3Å; E268-Q271 WeakPolarHBondContact O-CB 3.47Å; E268-Q271 PolarHBondContact O-N 3.18Å; E268-Q271 VanDerWaalsContact O-N 3.11Å; E268-Q271 PolarHBondContact O-NE2 2.93Å; Q271-F281 HydrophobicContact CB-CD1 3.74Å; Q271-F281 HydrophobicContact CB-CD2 3.65Å; Q271-F281 HydrophobicContact CB-CE1 3.6Å; Q271-F281 HydrophobicContact CB-CE2 3.51Å; Q271-F281 HydrophobicContact CB-CG 3.75Å; Q271-F281 HydrophobicContact CB-CZ 3.48Å; Q271-F281 VanDerWaalsContact CB-CZ 3.48Å; Q271-F281 HydrophobicContact CG-CE1 4.39Å; Q271-F281 HydrophobicContact CG-CZ 4.48Å; Q271-H305 PolarHBondContact NE2-CD2 2.93Å; Q271-H305 PolarHBondContact NE2-NE2 3.13Å
272	D	96	Very high	96.3	Very high	35 Å²	35	34.2 Å²	34.2	19%	0.187	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.1	177.3	-72.4	-66.3	0	0	0	113.9	Y270 C310 Y311 M312 L378	Y270-D272 PolarHBondContact O-N 3.45Å; Y270-D272 VanDerWaalsContact O-N 3.07Å; D272-C310 HydrophobicContact CB-CB 3.83Å; D272-Y311 HydrophobicContact CB-CD1 4.06Å; D272-Y311 HydrophobicContact CB-CE1 4.14Å; D272-M312 HydrophobicContact CB-CE 4.38Å; D272-L378 WeakPolarHBondContact O-CD2 3.46Å
273	N	95.4	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.			trans	-102.2	83.6	178.4	-83.4	15.5	0	0	0	110.1	Y270 Y275 C310 L378 G405 A406 M407	Y270-N273 PolarHBondContact O-N 2.86Å; N273-Y275 HydrophobicContact CB-CE1 4.19Å; N273-Y275 WeakPolarHBondContact CB-OH 3.43Å; N273-Y275 PolarHBondContact ND2-OH 3.35Å; N273-C310 HydrophobicContact CB-CB 4.27Å; N273-C310 WeakPolarHBondContact CB-SG 3.47Å; N273-C310 VanDerWaalsContact CG-CA 3.48Å; N273-C310 VanDerWaalsContact CG-CB 3.44Å; N273-C310 PolarHBondContact N-SG 3.48Å; N273-C310 WeakPolarHBondContact ND2-CA 3.39Å; N273-C310 WeakPolarHBondContact OD1-CA 3.35Å; N273-C310 WeakPolarHBondContact OD1-CB 3.46Å; N273-C310 PolarHBondContact OD1-SG 2.57Å; N273-L378 WeakPolarHBondContact OD1-CD2 3.26Å; N273-G405 CarbonylContact O-C 3.51Å; N273-G405 WeakPolarHBondContact O-CA 3.49Å; N273-A406 PolarHBondContact ND2-O 2.92Å; N273-A406 PolarHBondContact O-N 3.35Å; N273-M407 VanDerWaalsContact ND2-CG 3.35Å; N273-M407 WeakPolarHBondContact ND2-CG 3.47Å
274	V	96.5	Very high	96.3	Very high	42 Å²	42	33.8 Å²	33.8	26%	0.255	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-127	124.9	170.9	178.9	0	0	0	0	107.6	P237 V244 C279 F281	P237-V274 HydrophobicContact CG-CG2 4.17Å; V244-V274 HydrophobicContact CG1-CG2 4.42Å; V244-V274 HydrophobicContact CG2-CG1 4.23Å; V244-V274 HydrophobicContact CG2-CG2 4.13Å; V274-C279 HydrophobicContact CG1-CB 3.83Å; V274-C279 WeakPolarHBondContact CG1-O 3.45Å; V274-F281 HydrophobicContact CG2-CB 4.02Å
275	Y	91.3	Very high	96.2	Very high	39 Å²	39	33.8 Å²	33.8	15%	0.153	19%	0.191	C	C	.	.			trans	-119.3	-40.8	-169.8	-45.3	-53.1	0	0	0	113.1	N273 L381 A382 A385 Q404 A406 I465	N273-Y275 HydrophobicContact CB-CE1 4.19Å; N273-Y275 WeakPolarHBondContact CB-OH 3.43Å; N273-Y275 PolarHBondContact ND2-OH 3.35Å; Y275-L381 HydrophobicContact CE1-CB 3.76Å; Y275-L381 WeakPolarHBondContact OH-CB 3.45Å; Y275-A382 HydrophobicContact CD1-CB 3.73Å; Y275-A382 HydrophobicContact CG-CB 4.06Å; Y275-A385 HydrophobicContact CD2-CB 3.88Å; Y275-A385 HydrophobicContact CE2-CB 4.22Å; Y275-Q404 PolarHBondContact N-O 3.06Å; Y275-A406 WeakPolarHBondContact CE2-O 3.36Å; Y275-A406 PolarHBondContact OH-O 2.96Å; Y275-I465 HydrophobicContact CE2-CD1 4.13Å
276	A	88.9	Confident	96.2	Very high	32 Å²	32	35.9 Å²	35.9	26%	0.264	20%	0.2	S	C	.	.	S	Bend	trans	-67.2	138.5	-172.8	0	0	0	0	0	111.3	C279 Q404	A276-C279 HydrophobicContact CB-CB 4.23Å; A276-C279 WeakPolarHBondContact O-CB 3.16Å; A276-C279 PolarHBondContact O-N 2.87Å; A276-C279 VanDerWaalsContact O-N 3.14Å; A276-Q404 HydrophobicContact CB-CB 3.89Å; A276-Q404 HydrophobicContact CB-CG 3.81Å; A276-Q404 PolarHBondContact N-O 3.15Å
277	E	88.3	Confident	96.2	Very high	199 Å²	199	35.8 Å²	35.8	93%	0.93	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	140.2	174.4	-170.4	172	-172.8	0	0	110.6	C279	E277-C279 PolarHBondContact O-N 3.36Å; E277-C279 VanDerWaalsContact O-N 3.13Å
278	G	89.7	Confident	96.2	Very high	85 Å²	85	35.5 Å²	35.5	88%	0.876	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	-11	-176.5	0	0	0	0	0	115.2
279	C	94.4	Very high	96.2	Very high	37 Å²	37	38.6 Å²	38.6	25%	0.25	21%	0.211	C	C	.	.			trans	-85	138.8	172.8	-65.4	0	0	0	0	110.8	V244 V274 A276 E277	V244-C279 HydrophobicContact CB-CB 4.25Å; V244-C279 HydrophobicContact CG1-CB 4.36Å; V274-C279 HydrophobicContact CG1-CB 3.83Å; V274-C279 WeakPolarHBondContact CG1-O 3.45Å; A276-C279 HydrophobicContact CB-CB 4.23Å; A276-C279 WeakPolarHBondContact O-CB 3.16Å; A276-C279 PolarHBondContact O-N 2.87Å; A276-C279 VanDerWaalsContact O-N 3.14Å; E277-C279 PolarHBondContact O-N 3.36Å; E277-C279 VanDerWaalsContact O-N 3.13Å
280	K	96.5	Very high	96.2	Very high	139 Å²	139	42 Å²	42	60%	0.604	23%	0.226	S	C	*	.			trans	-138.7	141.2	173.5	-174.2	177.5	178	177.3	0	109.1	H282	K280-H282 PolarHBondContact O-CD2 2.91Å; K280-H282 PolarHBondContact O-N 3.45Å
281	F	98.4	Very high	96.2	Very high	29 Å²	29	43.4 Å²	43.4	13%	0.127	23%	0.233	C	C	.	.			trans	-68.3	126.9	168.7	175.6	-102.7	0	0	0	110.3	E268 Q271 V274	E268-F281 HydrophobicContact CB-CE2 4.01Å; E268-F281 HydrophobicContact CB-CZ 3.93Å; E268-F281 HydrophobicContact CG-CE2 4.01Å; E268-F281 HydrophobicContact CG-CZ 3.98Å; Q271-F281 HydrophobicContact CB-CD1 3.74Å; Q271-F281 HydrophobicContact CB-CD2 3.65Å; Q271-F281 HydrophobicContact CB-CE1 3.6Å; Q271-F281 HydrophobicContact CB-CE2 3.51Å; Q271-F281 HydrophobicContact CB-CG 3.75Å; Q271-F281 HydrophobicContact CB-CZ 3.48Å; Q271-F281 VanDerWaalsContact CB-CZ 3.48Å; Q271-F281 HydrophobicContact CG-CE1 4.39Å; Q271-F281 HydrophobicContact CG-CZ 4.48Å; V274-F281 HydrophobicContact CG2-CB 4.02Å
282	H	98.5	Very high	96.3	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.162	24%	0.241	C	C	.	.			trans	-120	120.1	168.6	-62.6	-83.7	0	0	0	107	I250 K280 V287	I250-H282 HydrophobicContact CD1-CB 3.83Å; I250-H282 WeakPolarHBondContact CD1-O 3.49Å; K280-H282 PolarHBondContact O-CD2 2.91Å; K280-H282 PolarHBondContact O-N 3.45Å; H282-V287 HydrophobicContact CB-CG2 4.04Å
283	S	98.8	Very high	96.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	26%	0.262	C	S	.	.			trans	-69	144.3	174.1	65.9	0	0	0	0	109.8	R138 D139 E268 K285 K286 V287	R138-S283 VanDerWaalsContact NH2-CB 3.28Å; R138-S283 PolarHBondContact NH2-OG 2.92Å; D139-S283 VanDerWaalsContact CG-OG 3.29Å; D139-S283 PolarHBondContact OD1-OG 2.96Å; D139-S283 PolarHBondContact OD2-OG 2.85Å; E268-S283 VanDerWaalsContact OE1-CA 3.29Å; E268-S283 WeakPolarHBondContact OE1-CA 3.17Å; S283-K285 PolarHBondContact O-N 2.83Å; S283-K286 PolarHBondContact O-N 3.33Å; S283-K286 WeakPolarHBondContact OG-CB 3.5Å; S283-K286 PolarHBondContact OG-N 2.82Å; S283-V287 PolarHBondContact O-N 2.91Å; S283-V287 VanDerWaalsContact O-N 3.17Å
284	F	98.8	Very high	96.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-36.7	171.9	-91.2	-100.7	0	0	0	110.9	I234 I250 V253 I254 L264 A266 E268 V287 L288 M301	I234-F284 HydrophobicContact CB-CE2 4.11Å; I234-F284 HydrophobicContact CB-CZ 3.89Å; I234-F284 HydrophobicContact CG1-CE1 4.28Å; I234-F284 HydrophobicContact CG1-CZ 3.84Å; I234-F284 HydrophobicContact CG2-CE2 3.71Å; I234-F284 HydrophobicContact CG2-CZ 3.65Å; I250-F284 HydrophobicContact CB-CZ 4.43Å; I250-F284 HydrophobicContact CD1-CE2 4.45Å; I250-F284 HydrophobicContact CG1-CE2 4.05Å; I250-F284 HydrophobicContact CG1-CZ 4.13Å; I250-F284 HydrophobicContact CG2-CD1 3.82Å; I250-F284 HydrophobicContact CG2-CD2 4.17Å; I250-F284 HydrophobicContact CG2-CE1 3.82Å; I250-F284 HydrophobicContact CG2-CE2 4.16Å; I250-F284 HydrophobicContact CG2-CG 3.99Å; I250-F284 HydrophobicContact CG2-CZ 3.97Å; V253-F284 HydrophobicContact CB-CE1 4.37Å; V253-F284 HydrophobicContact CG1-CE1 3.88Å; V253-F284 HydrophobicContact CG1-CZ 4.26Å; I254-F284 HydrophobicContact CD1-CD1 4.21Å; I254-F284 HydrophobicContact CG1-CD1 4.03Å; I254-F284 HydrophobicContact CG1-CE1 4.29Å; L264-F284 HydrophobicContact CD1-CD1 4.29Å; A266-F284 HydrophobicContact CB-CB 3.83Å; A266-F284 HydrophobicContact CB-CD2 3.79Å; A266-F284 HydrophobicContact CB-CG 3.82Å; E268-F284 PolarHBondContact OE1-N 2.86Å; F284-V287 PolarHBondContact O-N 2.88Å; F284-L288 WeakPolarHBondContact O-CB 3.4Å; F284-L288 PolarHBondContact O-N 3.34Å; F284-M301 HydrophobicContact CB-CE 4.3Å; F284-M301 HydrophobicContact CB-SD 3.58Å; F284-M301 VanDerWaalsContact CB-SD 3.58Å
285	K	98.8	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-52.1	172.9	174.3	166.6	176.8	-70.6	0	112.1	I135 D139 I142 S143 S283 V287 L288 F289 M301 E323	I135-K285 HydrophobicContact CG2-CD 3.72Å; D139-K285 IonicContact OD2-NZ 3.2Å; I142-K285 PolarHBondContact O-NZ 3.4Å; S143-K285 VanDerWaalsContact O-CE 3.28Å; S143-K285 WeakPolarHBondContact O-CE 3.32Å; S143-K285 PolarHBondContact O-NZ 2.83Å; S283-K285 PolarHBondContact O-N 2.83Å; K285-V287 VanDerWaalsContact C-N 3.34Å; K285-V287 PolarHBondContact O-N 3.33Å; K285-L288 PolarHBondContact O-N 2.79Å; K285-F289 HydrophobicContact CG-CD2 3.88Å; K285-F289 HydrophobicContact CG-CE2 4.01Å; K285-F289 VanDerWaalsContact O-CD2 3.27Å; K285-F289 WeakPolarHBondContact O-CD2 3.46Å; K285-F289 PolarHBondContact O-N 2.78Å; K285-M301 HydrophobicContact CB-CE 3.88Å; K285-E323 WeakPolarHBondContact CD-OE1 3.45Å; K285-E323 WeakPolarHBondContact CD-OE2 3.43Å; K285-E323 VanDerWaalsContact CE-OE1 3.25Å; K285-E323 WeakPolarHBondContact CE-OE1 3.44Å
286	K	98.8	Very high	96.8	Very high	44 Å²	44	51.2 Å²	51.2	19%	0.191	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-50.9	-179.3	176.7	175.6	179.5	56.4	0	111	D139 I142 S283 F289 E290	D139-K286 HydrophobicContact CB-CB 4.03Å; D139-K286 HydrophobicContact CB-CG 4.43Å; D139-K286 PolarHBondContact O-NZ 3.14Å; I142-K286 HydrophobicContact CD1-CB 4.36Å; I142-K286 HydrophobicContact CD1-CG 4.02Å; S283-K286 PolarHBondContact O-N 3.33Å; S283-K286 WeakPolarHBondContact OG-CB 3.5Å; S283-K286 PolarHBondContact OG-N 2.82Å; K286-F289 PolarHBondContact O-N 3.39Å; K286-E290 WeakPolarHBondContact CE-OE1 3.43Å; K286-E290 HydrophobicContact CG-CG 4.44Å; K286-E290 WeakPolarHBondContact CG-OE1 3.33Å; K286-E290 IonicContact NZ-OE1 2.75Å; K286-E290 PolarHBondContact NZ-OE1 2.9Å; K286-E290 WeakPolarHBondContact O-CB 3.46Å; K286-E290 VanDerWaalsContact O-CG 3.29Å; K286-E290 WeakPolarHBondContact O-CG 3.12Å; K286-E290 PolarHBondContact O-N 3.28Å
287	V	98.9	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-44.4	-177.4	-177.5	0	0	0	0	110.9	R247 I250 E251 I254 H282 S283 F284 K285 F289 E290 M291	R247-V287 HydrophobicContact CG-CG2 4.1Å; I250-V287 HydrophobicContact CB-CG1 4.39Å; I250-V287 HydrophobicContact CB-CG2 4.3Å; I250-V287 HydrophobicContact CG2-CB 3.72Å; I250-V287 HydrophobicContact CG2-CG1 3.85Å; I250-V287 HydrophobicContact CG2-CG2 3.79Å; E251-V287 HydrophobicContact CB-CG1 4.27Å; E251-V287 HydrophobicContact CG-CG1 3.33Å; I254-V287 HydrophobicContact CD1-CB 4.01Å; I254-V287 HydrophobicContact CD1-CG1 3.85Å; H282-V287 HydrophobicContact CB-CG2 4.04Å; S283-V287 PolarHBondContact O-N 2.91Å; S283-V287 VanDerWaalsContact O-N 3.17Å; F284-V287 PolarHBondContact O-N 2.88Å; K285-V287 VanDerWaalsContact C-N 3.34Å; K285-V287 PolarHBondContact O-N 3.33Å; V287-F289 VanDerWaalsContact C-N 3.34Å; V287-F289 PolarHBondContact O-N 3.21Å; V287-E290 PolarHBondContact O-N 2.94Å; V287-M291 HydrophobicContact CG1-CG 4.45Å; V287-M291 HydrophobicContact CG1-SD 4.08Å; V287-M291 VanDerWaalsContact O-CG 3.25Å; V287-M291 WeakPolarHBondContact O-CG 3.44Å; V287-M291 PolarHBondContact O-N 2.84Å
288	L	98.8	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.1	-45.6	177.7	178.2	69.2	0	0	0	112.5	I254 F284 K285 M291 V299 M301 I325	I254-L288 HydrophobicContact CD1-CB 4.01Å; I254-L288 HydrophobicContact CG2-CD1 3.55Å; F284-L288 WeakPolarHBondContact O-CB 3.4Å; F284-L288 PolarHBondContact O-N 3.34Å; K285-L288 PolarHBondContact O-N 2.79Å; L288-M291 PolarHBondContact O-N 2.97Å; L288-V299 HydrophobicContact CD1-CB 3.8Å; L288-V299 HydrophobicContact CD1-CG1 4.33Å; L288-V299 HydrophobicContact CD1-CG2 3.99Å; L288-V299 HydrophobicContact CD2-CB 4.49Å; L288-M301 HydrophobicContact CD2-CE 4.27Å; L288-M301 HydrophobicContact CD2-SD 4.45Å; L288-I325 HydrophobicContact CD2-CD1 3.35Å
289	F	98.7	Very high	98.1	Very high	67 Å²	67	43.9 Å²	43.9	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-36.7	179.1	-85.4	-102.4	0	0	0	112.6	I142 K285 K286 V287 M291 G292 I325	I142-F289 HydrophobicContact CD1-CB 3.94Å; I142-F289 HydrophobicContact CG2-CB 3.62Å; I142-F289 HydrophobicContact CG2-CD1 3.63Å; I142-F289 HydrophobicContact CG2-CD2 4.15Å; I142-F289 HydrophobicContact CG2-CE1 4.29Å; I142-F289 HydrophobicContact CG2-CG 3.53Å; K285-F289 HydrophobicContact CG-CD2 3.88Å; K285-F289 HydrophobicContact CG-CE2 4.01Å; K285-F289 VanDerWaalsContact O-CD2 3.27Å; K285-F289 WeakPolarHBondContact O-CD2 3.46Å; K285-F289 PolarHBondContact O-N 2.78Å; K286-F289 PolarHBondContact O-N 3.39Å; V287-F289 VanDerWaalsContact C-N 3.34Å; V287-F289 PolarHBondContact O-N 3.21Å; F289-M291 VanDerWaalsContact C-N 3.28Å; F289-M291 PolarHBondContact O-N 3.11Å; F289-G292 PolarHBondContact O-N 2.95Å; F289-G292 VanDerWaalsContact O-N 3.14Å; F289-I325 HydrophobicContact CE2-CD1 3.97Å
290	E	98.8	Very high	98.3	Very high	83 Å²	83	45.6 Å²	45.6	39%	0.388	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-28	174	-75	176.1	178	0	0	113.2	I142 R247 K286 V287 G292	I142-E290 HydrophobicContact CD1-CG 4.27Å; R247-E290 IonicContact CZ-OE2 3.75Å; R247-E290 IonicContact NE-OE2 3.96Å; R247-E290 PolarHBondContact NE-OE2 3.46Å; R247-E290 VanDerWaalsContact NE-OE2 3.08Å; R247-E290 IonicContact NH2-OE2 2.77Å; R247-E290 PolarHBondContact NH2-OE2 3.12Å; K286-E290 WeakPolarHBondContact CE-OE1 3.43Å; K286-E290 HydrophobicContact CG-CG 4.44Å; K286-E290 WeakPolarHBondContact CG-OE1 3.33Å; K286-E290 IonicContact NZ-OE1 2.75Å; K286-E290 PolarHBondContact NZ-OE1 2.9Å; K286-E290 WeakPolarHBondContact O-CB 3.46Å; K286-E290 VanDerWaalsContact O-CG 3.29Å; K286-E290 WeakPolarHBondContact O-CG 3.12Å; K286-E290 PolarHBondContact O-N 3.28Å; V287-E290 PolarHBondContact O-N 2.94Å; E290-G292 PolarHBondContact O-N 2.86Å
291	M	98.7	Very high	98.4	Very high	32 Å²	32	39 Å²	39	16%	0.158	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.9	174.1	-69.3	170.3	72.8	0	0	113.3	E251 I254 R255 V287 L288 F289 Y295	E251-M291 HydrophobicContact CB-CE 4.38Å; E251-M291 HydrophobicContact CB-SD 4.05Å; E251-M291 HydrophobicContact CG-CG 4.16Å; E251-M291 HydrophobicContact CG-SD 3.91Å; I254-M291 HydrophobicContact CB-CE 4.11Å; I254-M291 HydrophobicContact CB-SD 3.83Å; I254-M291 HydrophobicContact CD1-SD 3.91Å; I254-M291 HydrophobicContact CG1-SD 4.49Å; I254-M291 HydrophobicContact CG2-CE 3.77Å; I254-M291 HydrophobicContact CG2-SD 3.62Å; R255-M291 HydrophobicContact CG-CE 3.56Å; V287-M291 HydrophobicContact CG1-CG 4.45Å; V287-M291 HydrophobicContact CG1-SD 4.08Å; V287-M291 VanDerWaalsContact O-CG 3.25Å; V287-M291 WeakPolarHBondContact O-CG 3.44Å; V287-M291 PolarHBondContact O-N 2.84Å; L288-M291 PolarHBondContact O-N 2.97Å; F289-M291 VanDerWaalsContact C-N 3.28Å; F289-M291 PolarHBondContact O-N 3.11Å; M291-Y295 HydrophobicContact CB-CD2 3.77Å; M291-Y295 HydrophobicContact CB-CE2 4.43Å; M291-Y295 HydrophobicContact CB-CG 4.05Å; M291-Y295 HydrophobicContact CE-CD1 3.72Å; M291-Y295 HydrophobicContact CE-CD2 4.14Å; M291-Y295 HydrophobicContact CE-CE1 3.68Å; M291-Y295 HydrophobicContact CE-CE2 4.11Å; M291-Y295 HydrophobicContact CE-CG 3.96Å; M291-Y295 WeakPolarHBondContact O-CD2 3.26Å
292	G	98.4	Very high	98.4	Very high	19 Å²	19	37.6 Å²	37.6	20%	0.196	20%	0.203	C	C	.	.			trans	91.2	173.2	172.4	0	0	0	0	0	115.1	F289 E290 E294 Y295 S296	F289-G292 PolarHBondContact O-N 2.95Å; F289-G292 VanDerWaalsContact O-N 3.14Å; E290-G292 PolarHBondContact O-N 2.86Å; G292-E294 PolarHBondContact O-N 2.77Å; G292-E294 VanDerWaalsContact O-N 3.1Å; G292-Y295 PolarHBondContact O-N 3.4Å; G292-S296 PolarHBondContact O-N 3.35Å; G292-S296 PolarHBondContact O-OG 3.21Å
293	P	97.4	Very high	98.4	Very high	97 Å²	97	36.1 Å²	36.1	63%	0.63	20%	0.196	S	C	*	.	H	α-helix	trans	-57.9	-29.3	-170.8	-26.4	35.3	0	0	0	114.7	Y295 S296 S297	P293-Y295 PolarHBondContact O-N 3.08Å; P293-Y295 VanDerWaalsContact O-N 3.15Å; P293-S296 WeakPolarHBondContact CA-OG 3.42Å; P293-S297 VanDerWaalsContact O-CB 3.24Å; P293-S297 WeakPolarHBondContact O-CB 3.44Å; P293-S297 PolarHBondContact O-N 3.21Å; P293-S297 PolarHBondContact O-OG 3.09Å
294	E	97.7	Very high	98.4	Very high	124 Å²	124	36.1 Å²	36.1	58%	0.579	20%	0.196	S	C	*	.	H	α-helix	trans	-54.4	-32.2	175.1	171.4	176	-165.3	0	0	112.5	K258 G292 T298	K258-E294 WeakPolarHBondContact CE-O 3.4Å; K258-E294 IonicContact NZ-OE1 2.74Å; K258-E294 PolarHBondContact NZ-OE1 3.41Å; G292-E294 PolarHBondContact O-N 2.77Å; G292-E294 VanDerWaalsContact O-N 3.1Å; E294-T298 PolarHBondContact O-OG1 3.26Å
295	Y	98.5	Very high	98.4	Very high	37 Å²	37	36.1 Å²	36.1	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-104.3	-48.5	176.3	-60.6	-93.3	0	0	0	111	I254 R255 K258 M291 G292 P293 S297 T298 V299	I254-Y295 HydrophobicContact CG2-CD1 3.94Å; I254-Y295 HydrophobicContact CG2-CG 4.5Å; R255-Y295 HydrophobicContact CB-CE1 4.43Å; R255-Y295 HydrophobicContact CG-CE1 3.87Å; K258-Y295 HydrophobicContact CB-CD1 4.22Å; K258-Y295 HydrophobicContact CB-CE1 4.35Å; K258-Y295 HydrophobicContact CD-CD1 3.39Å; K258-Y295 HydrophobicContact CD-CE1 3.45Å; K258-Y295 VanDerWaalsContact CD-CE1 3.45Å; K258-Y295 HydrophobicContact CD-CG 4.18Å; K258-Y295 HydrophobicContact CG-CD1 4.4Å; M291-Y295 HydrophobicContact CB-CD2 3.77Å; M291-Y295 HydrophobicContact CB-CE2 4.43Å; M291-Y295 HydrophobicContact CB-CG 4.05Å; M291-Y295 HydrophobicContact CE-CD1 3.72Å; M291-Y295 HydrophobicContact CE-CD2 4.14Å; M291-Y295 HydrophobicContact CE-CE1 3.68Å; M291-Y295 HydrophobicContact CE-CE2 4.11Å; M291-Y295 HydrophobicContact CE-CG 3.96Å; M291-Y295 WeakPolarHBondContact O-CD2 3.26Å; G292-Y295 PolarHBondContact O-N 3.4Å; P293-Y295 PolarHBondContact O-N 3.08Å; P293-Y295 VanDerWaalsContact O-N 3.15Å; Y295-S297 PolarHBondContact O-N 3.15Å; Y295-T298 PolarHBondContact O-N 2.74Å; Y295-T298 PolarHBondContact O-OG1 3.24Å; Y295-V299 PolarHBondContact O-N 3.33Å
296	S	97.9	Very high	98.4	Very high	13 Å²	13	36.4 Å²	36.4	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-15.9	-171.6	72.2	0	0	0	0	115	G292 P293 N326	G292-S296 PolarHBondContact O-N 3.35Å; G292-S296 PolarHBondContact O-OG 3.21Å; P293-S296 WeakPolarHBondContact CA-OG 3.42Å; S296-N326 PolarHBondContact O-ND2 3.04Å; S296-N326 PolarHBondContact O-OD1 3.04Å
297	S	96.9	Very high	98.4	Very high	80 Å²	80	34.3 Å²	34.3	56%	0.559	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.1	173.9	-52.3	0	0	0	0	113.5	P293 Y295	P293-S297 VanDerWaalsContact O-CB 3.24Å; P293-S297 WeakPolarHBondContact O-CB 3.44Å; P293-S297 PolarHBondContact O-N 3.21Å; P293-S297 PolarHBondContact O-OG 3.09Å; Y295-S297 PolarHBondContact O-N 3.15Å
298	T	97.2	Very high	98.3	Very high	77 Å²	77	34.6 Å²	34.6	47%	0.472	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-38.6	-170.8	61.5	0	0	0	0	113.9	E294 Y295 E300	E294-T298 PolarHBondContact O-OG1 3.26Å; Y295-T298 PolarHBondContact O-N 2.74Å; Y295-T298 PolarHBondContact O-OG1 3.24Å; T298-E300 PolarHBondContact O-N 3.16Å
299	V	98.5	Very high	98.2	Very high	6 Å²	6	36 Å²	36	4%	0.036	20%	0.197	C	C	.	.			trans	-76.9	117	-176.8	-179.7	0	0	0	0	109.6	I254 K258 L264 L288 Y295 N326	I254-V299 HydrophobicContact CG2-CG2 4.47Å; K258-V299 HydrophobicContact CB-CG2 3.75Å; K258-V299 HydrophobicContact CG-CG2 4.09Å; L264-V299 HydrophobicContact CD1-CG1 3.68Å; L264-V299 HydrophobicContact CG-CG1 4.14Å; L288-V299 HydrophobicContact CD1-CB 3.8Å; L288-V299 HydrophobicContact CD1-CG1 4.33Å; L288-V299 HydrophobicContact CD1-CG2 3.99Å; L288-V299 HydrophobicContact CD2-CB 4.49Å; Y295-V299 PolarHBondContact O-N 3.33Å; V299-N326 WeakPolarHBondContact O-CB 3.42Å; V299-N326 PolarHBondContact O-ND2 3.43Å
300	E	98.7	Very high	98	Very high	72 Å²	72	32.9 Å²	32.9	34%	0.336	18%	0.183	S	C	.	.			trans	-72.7	131.4	172.9	-59.4	-175.5	93.3	0	0	110.4	F263 L264 T298	F263-E300 HydrophobicContact CD2-CB 3.45Å; F263-E300 VanDerWaalsContact CD2-CB 3.45Å; F263-E300 HydrophobicContact CD2-CG 4.41Å; F263-E300 HydrophobicContact CE2-CB 3.71Å; F263-E300 HydrophobicContact CG-CB 4.24Å; L264-E300 PolarHBondContact N-O 2.79Å; T298-E300 PolarHBondContact O-N 3.16Å
301	M	98.7	Very high	97.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	144.6	-176.7	-176	178.4	78.8	0	0	112.9	L264 F284 K285 L288 V324 I325	L264-M301 HydrophobicContact CB-CB 4.02Å; L264-M301 HydrophobicContact CB-CG 3.78Å; L264-M301 HydrophobicContact CB-SD 4.45Å; L264-M301 CarbonylContact O-C 3.5Å; L264-M301 VanDerWaalsContact O-CA 3.26Å; L264-M301 WeakPolarHBondContact O-CA 3.27Å; F284-M301 HydrophobicContact CB-CE 4.3Å; F284-M301 HydrophobicContact CB-SD 3.58Å; F284-M301 VanDerWaalsContact CB-SD 3.58Å; K285-M301 HydrophobicContact CB-CE 3.88Å; L288-M301 HydrophobicContact CD2-CE 4.27Å; L288-M301 HydrophobicContact CD2-SD 4.45Å; M301-V324 WeakPolarHBondContact O-CA 3.19Å; M301-I325 HydrophobicContact CB-CD1 4.06Å; M301-I325 HydrophobicContact CB-CG1 3.77Å; M301-I325 HydrophobicContact CE-CD1 3.39Å; M301-I325 HydrophobicContact CE-CG1 4.07Å; M301-I325 PolarHBondContact N-O 3.4Å; M301-I325 PolarHBondContact O-N 3.02Å
302	A	98.9	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.8	163.3	0	0	0	0	0	110.3	I162 F263 L264 M265 A266 F304 E323 V324	I162-A302 HydrophobicContact CD1-CB 4.36Å; I162-A302 HydrophobicContact CG1-CB 4.14Å; I162-A302 HydrophobicContact CG2-CB 4.41Å; F263-A302 HydrophobicContact CE1-CB 3.79Å; F263-A302 HydrophobicContact CZ-CB 4.06Å; L264-A302 PolarHBondContact O-N 3.1Å; M265-A302 CarbonylContact C-O 3.44Å; M265-A302 WeakPolarHBondContact CA-O 3.3Å; A266-A302 PolarHBondContact N-O 3.23Å; A302-F304 HydrophobicContact CB-CE1 4.18Å; A302-F304 HydrophobicContact CB-CE2 4.12Å; A302-F304 HydrophobicContact CB-CZ 3.59Å; A302-F304 WeakPolarHBondContact O-CE2 3.48Å; A302-E323 CarbonylContact C-O 3.17Å; A302-E323 VanDerWaalsContact CA-O 3.3Å; A302-E323 WeakPolarHBondContact CA-O 3.34Å; A302-V324 HydrophobicContact CB-CG2 4.24Å
303	S	98.9	Very high	97.4	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.3	173.1	-70.4	0	0	0	0	110.3	A266 M322 E323	A266-S303 CarbonylContact O-C 3.3Å; A266-S303 WeakPolarHBondContact O-CA 3.34Å; S303-M322 CarbonylContact O-C 3.54Å; S303-M322 WeakPolarHBondContact O-CA 3.48Å; S303-E323 PolarHBondContact N-O 3.03Å; S303-E323 PolarHBondContact O-N 3.24Å
304	F	98.9	Very high	97.4	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.6	-173.9	-53	-79.2	0	0	0	112.5	A155 A158 I159 I162 M265 A266 E268 A302 M322	A155-F304 HydrophobicContact CB-CB 4.27Å; A158-F304 HydrophobicContact CB-CD1 3.64Å; A158-F304 HydrophobicContact CB-CE1 3.89Å; I159-F304 HydrophobicContact CD1-CG 4.48Å; I159-F304 HydrophobicContact CG1-CD1 3.84Å; I159-F304 HydrophobicContact CG1-CD2 3.91Å; I159-F304 HydrophobicContact CG1-CE1 4.02Å; I159-F304 HydrophobicContact CG1-CE2 4.1Å; I159-F304 HydrophobicContact CG1-CG 3.8Å; I159-F304 HydrophobicContact CG1-CZ 4.16Å; I162-F304 HydrophobicContact CB-CZ 4.31Å; I162-F304 HydrophobicContact CG1-CE1 4.06Å; I162-F304 HydrophobicContact CG1-CZ 4.08Å; M265-F304 HydrophobicContact CB-CE2 3.87Å; M265-F304 HydrophobicContact CE-CE1 4.48Å; M265-F304 HydrophobicContact CE-CE2 3.66Å; M265-F304 HydrophobicContact CE-CZ 3.44Å; M265-F304 VanDerWaalsContact CE-CZ 3.44Å; M265-F304 HydrophobicContact CG-CE2 4.18Å; M265-F304 HydrophobicContact CG-CZ 4.38Å; A266-F304 WeakPolarHBondContact O-CD2 3.31Å; A266-F304 PolarHBondContact O-N 3.02Å; E268-F304 CarbonylContact C-O 3.59Å; E268-F304 PolarHBondContact N-O 3.15Å; E268-F304 VanDerWaalsContact N-O 3.11Å; A302-F304 HydrophobicContact CB-CE1 4.18Å; A302-F304 HydrophobicContact CB-CE2 4.12Å; A302-F304 HydrophobicContact CB-CZ 3.59Å; A302-F304 WeakPolarHBondContact O-CE2 3.48Å; F304-M322 HydrophobicContact CD1-CB 3.73Å; F304-M322 HydrophobicContact CE1-CB 3.87Å; F304-M322 HydrophobicContact CE1-SD 4.15Å
305	H	98.8	Very high	97.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.9	173	-163.3	-116.8	0	0	0	112.6	Q271 G320 Y321	Q271-H305 PolarHBondContact NE2-CD2 2.93Å; Q271-H305 PolarHBondContact NE2-NE2 3.13Å; H305-G320 VanDerWaalsContact O-CA 3.26Å; H305-G320 WeakPolarHBondContact O-CA 3.39Å; H305-Y321 HydrophobicContact CB-CD1 3.8Å; H305-Y321 HydrophobicContact CB-CD2 4.41Å; H305-Y321 HydrophobicContact CB-CE1 3.36Å; H305-Y321 HydrophobicContact CB-CE2 3.98Å; H305-Y321 HydrophobicContact CB-CG 4.32Å; H305-Y321 VanDerWaalsContact CB-CZ 3.43Å; H305-Y321 AromaticContact CG-CE1 3.77Å; H305-Y321 PolarHBondContact N-O 2.79Å; H305-Y321 AromaticContact ND1-CE1 3.62Å; H305-Y321 PolarHBondContact O-N 3.21Å; H305-Y321 VanDerWaalsContact O-N 3.12Å
306	S	98.6	Very high	97.2	Very high	7 Å²	7	19.1 Å²	19.1	5%	0.049	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.4	-173.8	-177.5	0	0	0	0	111.9	S308	S306-S308 PolarHBondContact O-N 2.99Å; S306-S308 VanDerWaalsContact OG-CB 3.28Å; S306-S308 WeakPolarHBondContact OG-CB 3.2Å; S306-S308 PolarHBondContact OG-N 3.22Å; S306-S308 VanDerWaalsContact OG-N 3.13Å; S306-S308 PolarHBondContact OG-OG 3.03Å; S306-S308 VanDerWaalsContact OG-OG 3.07Å
307	T	98.3	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.8	171	65.6	0	0	0	0	112.8	K309 M312 E314 G319 L352 L353 V356	T307-K309 PolarHBondContact O-N 3.38Å; T307-M312 VanDerWaalsContact O-CG 3.27Å; T307-M312 WeakPolarHBondContact O-CG 3.3Å; T307-E314 WeakPolarHBondContact O-CB 3.36Å; T307-E314 PolarHBondContact O-N 2.88Å; T307-G319 PolarHBondContact N-O 3Å; T307-G319 WeakPolarHBondContact OG1-CA 3.13Å; T307-G319 PolarHBondContact OG1-N 3.13Å; T307-G319 PolarHBondContact OG1-O 3.33Å; T307-L352 HydrophobicContact CG2-CD2 4.19Å; T307-L352 HydrophobicContact CG2-CG 4.14Å; T307-L353 HydrophobicContact CG2-CB 3.8Å; T307-L353 HydrophobicContact CG2-CD1 3.94Å; T307-V356 HydrophobicContact CG2-CG2 4.12Å
308	S	97.8	Very high	97.3	Very high	5 Å²	5	22 Å²	22	4%	0.035	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-19.5	-169.2	-60.2	0	0	0	0	114.5	S306 G313 C315	S306-S308 PolarHBondContact O-N 2.99Å; S306-S308 VanDerWaalsContact OG-CB 3.28Å; S306-S308 WeakPolarHBondContact OG-CB 3.2Å; S306-S308 PolarHBondContact OG-N 3.22Å; S306-S308 VanDerWaalsContact OG-N 3.13Å; S306-S308 PolarHBondContact OG-OG 3.03Å; S306-S308 VanDerWaalsContact OG-OG 3.07Å; S308-G313 CarbonylContact O-C 3.45Å; S308-G313 WeakPolarHBondContact O-CA 3.26Å; S308-C315 PolarHBondContact O-SG 2.75Å
309	K	96.2	Very high	97.3	Very high	31 Å²	31	18.3 Å²	18.3	14%	0.135	10%	0.104	C	C	.	.	S	Bend	trans	-115.6	179.8	-163.3	-56	-55.2	-178.3	167.3	0	111.6	G64 V269 Y270 T307 M312 G313 M407	G64-K309 PolarHBondContact O-NZ 3.18Å; V269-K309 HydrophobicContact CB-CG 4.21Å; V269-K309 HydrophobicContact CG2-CG 4.22Å; V269-K309 VanDerWaalsContact O-CB 3.27Å; V269-K309 WeakPolarHBondContact O-CB 3.45Å; Y270-K309 HydrophobicContact CD1-CB 3.98Å; Y270-K309 HydrophobicContact CD1-CG 4.33Å; Y270-K309 HydrophobicContact CE1-CB 3.85Å; Y270-K309 HydrophobicContact CE1-CD 3.77Å; Y270-K309 HydrophobicContact CE1-CG 3.88Å; Y270-K309 WeakPolarHBondContact OH-CD 3.43Å; Y270-K309 WeakPolarHBondContact OH-CE 3.16Å; Y270-K309 PolarHBondContact OH-NZ 3.34Å; Y270-K309 VanDerWaalsContact OH-NZ 3.12Å; T307-K309 PolarHBondContact O-N 3.38Å; K309-M312 WeakPolarHBondContact O-CE 3.49Å; K309-M312 VanDerWaalsContact O-CG 3.31Å; K309-M312 WeakPolarHBondContact O-CG 3.42Å; K309-G313 PolarHBondContact O-N 2.99Å; K309-M407 HydrophobicContact CD-CE 3.73Å
310	C	93.6	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	-148.7	175.4	-50.7	0	0	0	0	114.2	Q71 Y270 D272 N273 M312 G313	Q71-C310 PolarHBondContact NE2-O 3.04Å; Y270-C310 VanDerWaalsContact C-SG 3.56Å; Y270-C310 VanDerWaalsContact CA-SG 3.55Å; D272-C310 HydrophobicContact CB-CB 3.83Å; N273-C310 HydrophobicContact CB-CB 4.27Å; N273-C310 WeakPolarHBondContact CB-SG 3.47Å; N273-C310 VanDerWaalsContact CG-CA 3.48Å; N273-C310 VanDerWaalsContact CG-CB 3.44Å; N273-C310 PolarHBondContact N-SG 3.48Å; N273-C310 WeakPolarHBondContact ND2-CA 3.39Å; N273-C310 WeakPolarHBondContact OD1-CA 3.35Å; N273-C310 WeakPolarHBondContact OD1-CB 3.46Å; N273-C310 PolarHBondContact OD1-SG 2.57Å; C310-M312 VanDerWaalsContact C-N 3.27Å; C310-M312 HydrophobicContact CB-CE 3.29Å; C310-M312 PolarHBondContact O-N 3.1Å; C310-G313 PolarHBondContact O-N 3.44Å
311	Y	94.4	Very high	97.3	Very high	8 Å²	8	15 Å²	15	3%	0.031	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.8	-173	74.8	-89.8	0	0	0	114.1	Q71 I74 F77 D272 F370 R374	Q71-Y311 PolarHBondContact NE2-O 2.95Å; I74-Y311 HydrophobicContact CD1-CD2 4.37Å; I74-Y311 HydrophobicContact CG1-CD2 4.42Å; F77-Y311 HydrophobicContact CZ-CE2 4.27Å; D272-Y311 HydrophobicContact CB-CD1 4.06Å; D272-Y311 HydrophobicContact CB-CE1 4.14Å; Y311-F370 HydrophobicContact CE2-CE2 4.14Å; Y311-F370 AromaticContact CE2-CZ 3.75Å; Y311-F370 HydrophobicContact CE2-CZ 3.75Å; Y311-R374 HydrophobicContact CD1-CG 4.09Å; Y311-R374 HydrophobicContact CD2-CB 3.92Å; Y311-R374 HydrophobicContact CD2-CG 3.69Å; Y311-R374 HydrophobicContact CE1-CG 4.35Å; Y311-R374 HydrophobicContact CE2-CB 4.24Å; Y311-R374 HydrophobicContact CE2-CG 3.96Å; Y311-R374 HydrophobicContact CG-CB 4.39Å; Y311-R374 HydrophobicContact CG-CG 3.76Å
312	M	94.4	Very high	97.3	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-49.1	173.8	52.9	-103.7	109.2	0	0	112	F77 D272 T307 K309 C310 E314 V356	F77-M312 HydrophobicContact CD2-CB 4.32Å; F77-M312 HydrophobicContact CE2-CB 3.55Å; F77-M312 HydrophobicContact CZ-CB 4.36Å; D272-M312 HydrophobicContact CB-CE 4.38Å; T307-M312 VanDerWaalsContact O-CG 3.27Å; T307-M312 WeakPolarHBondContact O-CG 3.3Å; K309-M312 WeakPolarHBondContact O-CE 3.49Å; K309-M312 VanDerWaalsContact O-CG 3.31Å; K309-M312 WeakPolarHBondContact O-CG 3.42Å; C310-M312 VanDerWaalsContact C-N 3.27Å; C310-M312 HydrophobicContact CB-CE 3.29Å; C310-M312 PolarHBondContact O-N 3.1Å; M312-E314 HydrophobicContact CB-CG 4.47Å; M312-E314 WeakPolarHBondContact O-CG 3.28Å; M312-E314 PolarHBondContact O-N 2.81Å; M312-V356 HydrophobicContact CB-CG2 4.11Å; M312-V356 HydrophobicContact CG-CG2 3.91Å; M312-V356 HydrophobicContact SD-CB 4.3Å; M312-V356 HydrophobicContact SD-CG1 3.51Å; M312-V356 VanDerWaalsContact SD-CG1 3.51Å; M312-V356 HydrophobicContact SD-CG2 3.78Å
313	G	94.2	Very high	97.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.			trans	62.4	24.3	170.5	0	0	0	0	0	115.6	Q67 S308 K309 C310 C315	Q67-G313 PolarHBondContact NE2-O 3.37Å; S308-G313 CarbonylContact O-C 3.45Å; S308-G313 WeakPolarHBondContact O-CA 3.26Å; K309-G313 PolarHBondContact O-N 2.99Å; C310-G313 PolarHBondContact O-N 3.44Å; G313-C315 VanDerWaalsContact C-N 3.35Å; G313-C315 PolarHBondContact O-N 3.47Å; G313-C315 VanDerWaalsContact O-N 3.13Å
314	E	97.3	Very high	97.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.088	C	C	.	.			trans	-91.9	56.3	-168.2	-69.8	-63.7	172.5	0	0	112.7	Q67 F77 R78 T307 M312 G316 F317 L352	Q67-E314 PolarHBondContact NE2-OE1 3.22Å; Q67-E314 VanDerWaalsContact NE2-OE1 3.13Å; Q67-E314 PolarHBondContact NE2-OE2 2.94Å; F77-E314 HydrophobicContact CD2-CG 4.47Å; R78-E314 IonicContact CZ-OE1 3.59Å; R78-E314 IonicContact CZ-OE2 2.63Å; R78-E314 IonicContact NE-OE1 2.98Å; R78-E314 PolarHBondContact NE-OE1 2.84Å; R78-E314 IonicContact NE-OE2 2.61Å; R78-E314 VanDerWaalsContact NH2-CD 3.31Å; R78-E314 IonicContact NH2-OE1 3.11Å; R78-E314 PolarHBondContact NH2-OE1 2.7Å; R78-E314 IonicContact NH2-OE2 3.95Å; R78-E314 PolarHBondContact NH2-OE2 3.19Å; T307-E314 WeakPolarHBondContact O-CB 3.36Å; T307-E314 PolarHBondContact O-N 2.88Å; M312-E314 HydrophobicContact CB-CG 4.47Å; M312-E314 WeakPolarHBondContact O-CG 3.28Å; M312-E314 PolarHBondContact O-N 2.81Å; E314-G316 VanDerWaalsContact C-N 3.27Å; E314-G316 PolarHBondContact O-N 2.76Å; E314-F317 HydrophobicContact CB-CD2 4.04Å; E314-F317 HydrophobicContact CG-CD2 4.44Å; E314-F317 PolarHBondContact O-N 3.02Å; E314-F317 VanDerWaalsContact OE2-CD2 3.31Å; E314-F317 WeakPolarHBondContact OE2-CD2 3.46Å; E314-F317 VanDerWaalsContact OE2-CE2 3.29Å; E314-F317 WeakPolarHBondContact OE2-CE2 3.39Å; E314-L352 HydrophobicContact CB-CD2 3.32Å; E314-L352 HydrophobicContact CG-CD1 4.1Å; E314-L352 HydrophobicContact CG-CD2 3.67Å; E314-L352 HydrophobicContact CG-CG 4.47Å
315	C	96.2	Very high	97.3	Very high	22 Å²	22	15.3 Å²	15.3	15%	0.149	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-56.4	-35.9	-171.5	-70.1	0	0	0	0	114.4	S308 G313 R318	S308-C315 PolarHBondContact O-SG 2.75Å; G313-C315 VanDerWaalsContact C-N 3.35Å; G313-C315 PolarHBondContact O-N 3.47Å; G313-C315 VanDerWaalsContact O-N 3.13Å; C315-R318 VanDerWaalsContact O-CD 3.29Å; C315-R318 WeakPolarHBondContact O-CD 3.24Å
316	G	97.2	Very high	97.2	Very high	72 Å²	72	18.1 Å²	18.1	74%	0.742	11%	0.105	S	C	*	.	G	3₁₀ helix	trans	-74.7	-23.9	-174.2	0	0	0	0	0	114.6	E314 R318	E314-G316 VanDerWaalsContact C-N 3.27Å; E314-G316 PolarHBondContact O-N 2.76Å; G316-R318 VanDerWaalsContact C-N 3.3Å; G316-R318 PolarHBondContact O-N 3.23Å
317	F	97.6	Very high	97.1	Very high	58 Å²	58	18.5 Å²	18.5	25%	0.254	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-78.4	-14.6	-178.9	-75.9	-79.2	0	0	0	113.8	L81 E314 G319 P348 G349 L352	L81-F317 HydrophobicContact CD1-CD1 4.11Å; L81-F317 HydrophobicContact CD1-CE1 3.63Å; L81-F317 HydrophobicContact CD1-CE2 4.17Å; L81-F317 HydrophobicContact CD1-CZ 3.65Å; E314-F317 HydrophobicContact CB-CD2 4.04Å; E314-F317 HydrophobicContact CG-CD2 4.44Å; E314-F317 PolarHBondContact O-N 3.02Å; E314-F317 VanDerWaalsContact OE2-CD2 3.31Å; E314-F317 WeakPolarHBondContact OE2-CD2 3.46Å; E314-F317 VanDerWaalsContact OE2-CE2 3.29Å; E314-F317 WeakPolarHBondContact OE2-CE2 3.39Å; F317-G319 VanDerWaalsContact C-N 3.3Å; F317-G319 PolarHBondContact O-N 3.38Å; F317-P348 HydrophobicContact CD1-CB 4.49Å; F317-G349 VanDerWaalsContact O-CA 3.27Å; F317-G349 WeakPolarHBondContact O-CA 3.41Å; F317-L352 HydrophobicContact CB-CD2 3.55Å; F317-L352 HydrophobicContact CD2-CD2 3.94Å; F317-L352 HydrophobicContact CG-CD2 3.85Å
318	R	97.9	Very high	97.1	Very high	95 Å²	95	22 Å²	22	36%	0.358	13%	0.125	S	C	.	.			trans	53.7	41.3	174.4	-52.4	-56	-59.7	164.3	2.7	113.7	T153 G154 C315 G316	T153-R318 CarbonylContact C-O 3.5Å; T153-R318 WeakPolarHBondContact CA-O 3.37Å; T153-R318 HydrophobicContact CG2-CB 3.64Å; T153-R318 HydrophobicContact CG2-CG 4.3Å; T153-R318 PolarHBondContact O-NH2 3.18Å; G154-R318 PolarHBondContact N-O 2.87Å; C315-R318 VanDerWaalsContact O-CD 3.29Å; C315-R318 WeakPolarHBondContact O-CD 3.24Å; G316-R318 VanDerWaalsContact C-N 3.3Å; G316-R318 PolarHBondContact O-N 3.23Å
319	G	98.4	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.2	171.9	0	0	0	0	0	112.6	G154 T307 F317 G349	G154-G319 WeakPolarHBondContact CA-O 3.28Å; T307-G319 PolarHBondContact N-O 3Å; T307-G319 WeakPolarHBondContact OG1-CA 3.13Å; T307-G319 PolarHBondContact OG1-N 3.13Å; T307-G319 PolarHBondContact OG1-O 3.33Å; F317-G319 VanDerWaalsContact C-N 3.3Å; F317-G319 PolarHBondContact O-N 3.38Å; G319-G349 WeakPolarHBondContact CA-O 3.16Å
320	G	98.6	Very high	97.1	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	173.1	174.8	0	0	0	0	0	112	L151 S152 H305 L353	L151-G320 WeakPolarHBondContact CA-O 3.46Å; S152-G320 PolarHBondContact N-O 3.09Å; S152-G320 PolarHBondContact O-N 3.11Å; H305-G320 VanDerWaalsContact O-CA 3.26Å; H305-G320 WeakPolarHBondContact O-CA 3.39Å; G320-L353 WeakPolarHBondContact O-CD2 3.35Å
321	Y	98.9	Very high	97.3	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164	171	70.4	-96.4	0	0	0	111.2	V131 I135 Y150 H305 L353 V357	V131-Y321 HydrophobicContact CG1-CD1 3.78Å; V131-Y321 HydrophobicContact CG1-CD2 3.72Å; V131-Y321 HydrophobicContact CG1-CE1 3.72Å; V131-Y321 HydrophobicContact CG1-CE2 3.72Å; V131-Y321 HydrophobicContact CG1-CG 3.78Å; V131-Y321 HydrophobicContact CG2-CD1 4.06Å; V131-Y321 HydrophobicContact CG2-CE1 4.4Å; V131-Y321 HydrophobicContact CG2-CG 4.46Å; I135-Y321 HydrophobicContact CD1-CE2 3.87Å; Y150-Y321 CarbonylContact O-C 3.42Å; Y150-Y321 WeakPolarHBondContact O-CA 3.35Å; H305-Y321 HydrophobicContact CB-CD1 3.8Å; H305-Y321 HydrophobicContact CB-CD2 4.41Å; H305-Y321 HydrophobicContact CB-CE1 3.36Å; H305-Y321 HydrophobicContact CB-CE2 3.98Å; H305-Y321 HydrophobicContact CB-CG 4.32Å; H305-Y321 VanDerWaalsContact CB-CZ 3.43Å; H305-Y321 AromaticContact CG-CE1 3.77Å; H305-Y321 PolarHBondContact N-O 2.79Å; H305-Y321 AromaticContact ND1-CE1 3.62Å; H305-Y321 PolarHBondContact O-N 3.21Å; H305-Y321 VanDerWaalsContact O-N 3.12Å; Y321-L353 HydrophobicContact CD1-CD1 3.76Å; Y321-L353 HydrophobicContact CD1-CD2 3.87Å; Y321-L353 HydrophobicContact CD1-CG 4.35Å; Y321-L353 HydrophobicContact CE1-CD1 4.22Å; Y321-L353 HydrophobicContact CG-CD2 4.44Å; Y321-V357 HydrophobicContact CE1-CG1 4.22Å
322	M	98.8	Very high	97.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142	158	59.5	-173.8	177.1	0	0	110.9	I149 Y150 A158 T161 I162 S303 F304 V324 L335	I149-M322 WeakPolarHBondContact CA-O 3.37Å; Y150-M322 HydrophobicContact CD1-CE 4.31Å; Y150-M322 HydrophobicContact CD2-CE 4.11Å; Y150-M322 HydrophobicContact CD2-CG 4.45Å; Y150-M322 HydrophobicContact CG-CE 3.75Å; Y150-M322 PolarHBondContact N-O 2.75Å; Y150-M322 PolarHBondContact O-N 3.33Å; A158-M322 HydrophobicContact CB-CB 3.96Å; A158-M322 HydrophobicContact CB-CG 4Å; A158-M322 HydrophobicContact CB-SD 3.73Å; T161-M322 HydrophobicContact CG2-CE 4.44Å; I162-M322 HydrophobicContact CD1-CE 4.23Å; I162-M322 HydrophobicContact CD1-SD 3.76Å; I162-M322 HydrophobicContact CG1-CE 4.46Å; I162-M322 HydrophobicContact CG1-SD 3.54Å; I162-M322 VanDerWaalsContact CG1-SD 3.54Å; S303-M322 CarbonylContact O-C 3.54Å; S303-M322 WeakPolarHBondContact O-CA 3.48Å; F304-M322 HydrophobicContact CD1-CB 3.73Å; F304-M322 HydrophobicContact CE1-CB 3.87Å; F304-M322 HydrophobicContact CE1-SD 4.15Å; M322-V324 HydrophobicContact CG-CG2 4.22Å; M322-V324 HydrophobicContact SD-CG2 4.26Å; M322-L335 HydrophobicContact CE-CD1 3.99Å; M322-L335 HydrophobicContact CE-CD2 4.15Å
323	E	98.9	Very high	97.5	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.1	165	-179.1	179.3	-149.1	0	0	108.4	I135 S144 N148 I149 K285 A302 S303 I325	I135-E323 HydrophobicContact CD1-CB 4.31Å; S144-E323 WeakPolarHBondContact CB-OE1 3.48Å; S144-E323 PolarHBondContact OG-OE1 2.98Å; N148-E323 HydrophobicContact CB-CG 4.27Å; N148-E323 WeakPolarHBondContact O-CA 3.47Å; I149-E323 HydrophobicContact CD1-CB 3.64Å; I149-E323 HydrophobicContact CD1-CG 3.72Å; K285-E323 WeakPolarHBondContact CD-OE1 3.45Å; K285-E323 WeakPolarHBondContact CD-OE2 3.43Å; K285-E323 VanDerWaalsContact CE-OE1 3.25Å; K285-E323 WeakPolarHBondContact CE-OE1 3.44Å; A302-E323 CarbonylContact C-O 3.17Å; A302-E323 VanDerWaalsContact CA-O 3.3Å; A302-E323 WeakPolarHBondContact CA-O 3.34Å; S303-E323 PolarHBondContact N-O 3.03Å; S303-E323 PolarHBondContact O-N 3.24Å; E323-I325 HydrophobicContact CG-CG2 4.18Å
324	V	98.6	Very high	97.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.9	-179.5	-176.7	0	0	0	0	109.7	N148 Y150 I162 M301 A302 M322 M327 L335	N148-V324 VanDerWaalsContact CB-O 3.24Å; N148-V324 WeakPolarHBondContact CB-O 3.27Å; N148-V324 VanDerWaalsContact CG-O 3.23Å; N148-V324 PolarHBondContact O-N 3.35Å; Y150-V324 HydrophobicContact CD2-CG2 4.24Å; Y150-V324 HydrophobicContact CE2-CG2 4.32Å; I162-V324 HydrophobicContact CD1-CG2 4.1Å; M301-V324 WeakPolarHBondContact O-CA 3.19Å; A302-V324 HydrophobicContact CB-CG2 4.24Å; M322-V324 HydrophobicContact CG-CG2 4.22Å; M322-V324 HydrophobicContact SD-CG2 4.26Å; V324-M327 HydrophobicContact CG1-CB 3.7Å; V324-M327 HydrophobicContact CG1-CE 3.57Å; V324-M327 HydrophobicContact CG1-CG 4.41Å; V324-M327 HydrophobicContact CG1-SD 3.89Å; V324-L335 HydrophobicContact CG2-CD2 4.22Å
325	I	97.7	Very high	97.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.6	-178.9	62.3	172.1	0	0	0	111.3	L288 F289 M301 E323 M327	L288-I325 HydrophobicContact CD2-CD1 3.35Å; F289-I325 HydrophobicContact CE2-CD1 3.97Å; M301-I325 HydrophobicContact CB-CD1 4.06Å; M301-I325 HydrophobicContact CB-CG1 3.77Å; M301-I325 HydrophobicContact CE-CD1 3.39Å; M301-I325 HydrophobicContact CE-CG1 4.07Å; M301-I325 PolarHBondContact N-O 3.4Å; M301-I325 PolarHBondContact O-N 3.02Å; E323-I325 HydrophobicContact CG-CG2 4.18Å; I325-M327 PolarHBondContact O-N 3.33Å
326	N	98	Very high	97.6	Very high	61 Å²	61	45.5 Å²	45.5	33%	0.326	26%	0.257	S	S	.	.	S	Bend	trans	56.8	7.5	178.3	-56.1	-32.2	0	0	0	116.6	S296 V299 D328	S296-N326 PolarHBondContact O-ND2 3.04Å; S296-N326 PolarHBondContact O-OD1 3.04Å; V299-N326 WeakPolarHBondContact O-CB 3.42Å; V299-N326 PolarHBondContact O-ND2 3.43Å; N326-D328 PolarHBondContact O-N 3.1Å
327	M	97.1	Very high	97.5	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.074	25%	0.249	C	C	.	.			trans	-61.8	137	173.2	-179.3	173.2	-75	0	0	110.4	I162 L165 F263 V324 I325 V331 K332 L335	I162-M327 HydrophobicContact CD1-CE 4.24Å; L165-M327 HydrophobicContact CD2-CE 3.9Å; L165-M327 HydrophobicContact CD2-SD 4.02Å; F263-M327 HydrophobicContact CE2-CE 3.71Å; F263-M327 HydrophobicContact CZ-CE 3.84Å; V324-M327 HydrophobicContact CG1-CB 3.7Å; V324-M327 HydrophobicContact CG1-CE 3.57Å; V324-M327 HydrophobicContact CG1-CG 4.41Å; V324-M327 HydrophobicContact CG1-SD 3.89Å; I325-M327 PolarHBondContact O-N 3.33Å; M327-V331 HydrophobicContact CG-CB 4.13Å; M327-V331 HydrophobicContact CG-CG1 3.95Å; M327-V331 HydrophobicContact SD-CG1 3.88Å; M327-K332 HydrophobicContact CG-CB 4.35Å; M327-K332 HydrophobicContact SD-CB 4.28Å; M327-L335 HydrophobicContact SD-CD2 4.16Å
328	D	96.9	Very high	97.4	Very high	74 Å²	74	47.5 Å²	47.5	40%	0.396	25%	0.247	S	C	.	.			trans	-47.7	131	173.3	176.4	-82.8	0	0	0	111.3	N326 E330 V331 K332	N326-D328 PolarHBondContact O-N 3.1Å; D328-E330 VanDerWaalsContact C-N 3.31Å; D328-E330 PolarHBondContact O-N 3.04Å; D328-E330 WeakPolarHBondContact OD1-CA 3.38Å; D328-E330 WeakPolarHBondContact OD1-CB 3.48Å; D328-E330 PolarHBondContact OD1-N 3.41Å; D328-V331 HydrophobicContact CB-CB 4.03Å; D328-V331 HydrophobicContact CB-CG2 3.84Å; D328-V331 CarbonylContact O-C 3.58Å; D328-V331 WeakPolarHBondContact O-CB 3.31Å; D328-V331 PolarHBondContact O-N 3.36Å; D328-V331 VanDerWaalsContact O-N 3.12Å; D328-V331 PolarHBondContact OD1-N 3.3Å; D328-K332 PolarHBondContact O-N 3.34Å
329	P	96.8	Very high	97.3	Very high	100 Å²	100	44 Å²	44	65%	0.649	24%	0.236	S	C	*	.	H	α-helix	trans	-58.9	-35.9	-175.6	-27.3	35.5	0	0	0	114.7	K332 A333	P329-K332 PolarHBondContact O-N 3.1Å; P329-A333 PolarHBondContact O-N 2.68Å
330	E	97.9	Very high	97	Very high	154 Å²	154	46.4 Å²	46.4	72%	0.72	25%	0.253	S	S	*	.	H	α-helix	trans	-70.9	-38.2	177.8	-58.9	-172.3	173.9	0	0	110.5	D328 A333 Q334	D328-E330 VanDerWaalsContact C-N 3.31Å; D328-E330 PolarHBondContact O-N 3.04Å; D328-E330 WeakPolarHBondContact OD1-CA 3.38Å; D328-E330 WeakPolarHBondContact OD1-CB 3.48Å; D328-E330 PolarHBondContact OD1-N 3.41Å; E330-A333 WeakPolarHBondContact O-CB 3.37Å; E330-A333 PolarHBondContact O-N 3.26Å; E330-Q334 PolarHBondContact O-N 2.9Å; E330-Q334 VanDerWaalsContact O-N 3.12Å
331	V	97.4	Very high	96.7	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.339	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-40.8	172.7	178.7	0	0	0	0	111.1	L165 M327 D328 A333 Q334 L335	L165-V331 HydrophobicContact CD1-CG1 4.18Å; L165-V331 HydrophobicContact CD2-CG1 3.71Å; L165-V331 HydrophobicContact CG-CG1 4.01Å; M327-V331 HydrophobicContact CG-CB 4.13Å; M327-V331 HydrophobicContact CG-CG1 3.95Å; M327-V331 HydrophobicContact SD-CG1 3.88Å; D328-V331 HydrophobicContact CB-CB 4.03Å; D328-V331 HydrophobicContact CB-CG2 3.84Å; D328-V331 CarbonylContact O-C 3.58Å; D328-V331 WeakPolarHBondContact O-CB 3.31Å; D328-V331 PolarHBondContact O-N 3.36Å; D328-V331 VanDerWaalsContact O-N 3.12Å; D328-V331 PolarHBondContact OD1-N 3.3Å; V331-A333 VanDerWaalsContact C-N 3.28Å; V331-A333 PolarHBondContact O-N 2.81Å; V331-Q334 CarbonylContact O-C 3.57Å; V331-Q334 WeakPolarHBondContact O-CA 3.44Å; V331-Q334 WeakPolarHBondContact O-CB 3.36Å; V331-Q334 PolarHBondContact O-N 3.49Å; V331-L335 PolarHBondContact O-N 2.61Å
332	K	96.9	Very high	96.4	Very high	46 Å²	46	57.5 Å²	57.5	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-34.4	174.6	-171.2	178.4	178.1	-177.8	0	112	D147 N148 Y150 M327 D328 P329 L335 T336	D147-K332 WeakPolarHBondContact O-CE 3.27Å; D147-K332 PolarHBondContact O-NZ 2.82Å; N148-K332 PolarHBondContact OD1-NZ 3.09Å; Y150-K332 WeakPolarHBondContact OH-CE 3.35Å; Y150-K332 WeakPolarHBondContact OH-CG 3.46Å; M327-K332 HydrophobicContact CG-CB 4.35Å; M327-K332 HydrophobicContact SD-CB 4.28Å; D328-K332 PolarHBondContact O-N 3.34Å; P329-K332 PolarHBondContact O-N 3.1Å; K332-L335 WeakPolarHBondContact O-CB 3.5Å; K332-L335 PolarHBondContact O-N 2.92Å; K332-T336 PolarHBondContact O-N 2.98Å; K332-T336 PolarHBondContact O-OG1 2.78Å
333	A	96.9	Very high	96.2	Very high	56 Å²	56	61.4 Å²	61.4	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-40.4	171.3	0	0	0	0	0	111.8	P329 E330 V331 L335 T336 K337	P329-A333 PolarHBondContact O-N 2.68Å; E330-A333 WeakPolarHBondContact O-CB 3.37Å; E330-A333 PolarHBondContact O-N 3.26Å; V331-A333 VanDerWaalsContact C-N 3.28Å; V331-A333 PolarHBondContact O-N 2.81Å; A333-L335 VanDerWaalsContact C-N 3.34Å; A333-T336 PolarHBondContact O-N 2.68Å; A333-K337 PolarHBondContact O-N 2.94Å
334	Q	97.8	Very high	96.1	Very high	99 Å²	99	62.4 Å²	62.4	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-36.1	172.8	-59.8	-53.9	-41.4	0	0	112.5	L165 E330 V331 K337 L338	L165-Q334 HydrophobicContact CD1-CB 4.31Å; E330-Q334 PolarHBondContact O-N 2.9Å; E330-Q334 VanDerWaalsContact O-N 3.12Å; V331-Q334 CarbonylContact O-C 3.57Å; V331-Q334 WeakPolarHBondContact O-CA 3.44Å; V331-Q334 WeakPolarHBondContact O-CB 3.36Å; V331-Q334 PolarHBondContact O-N 3.49Å; Q334-K337 PolarHBondContact O-N 3.12Å; Q334-L338 WeakPolarHBondContact O-CB 3.29Å; Q334-L338 PolarHBondContact O-N 3.22Å
335	L	97.3	Very high	96.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-46.8	172.5	176	59.2	0	0	0	111	Y150 T161 I162 L165 M322 V324 M327 V331 K332 A333 K337 L338 V339	Y150-L335 HydrophobicContact CD2-CD2 4.29Å; Y150-L335 HydrophobicContact CE1-CD2 4.06Å; Y150-L335 HydrophobicContact CE1-CG 3.99Å; Y150-L335 HydrophobicContact CE2-CD2 3.79Å; T161-L335 HydrophobicContact CG2-CD1 3.63Å; I162-L335 HydrophobicContact CD1-CD1 4.42Å; I162-L335 HydrophobicContact CD1-CD2 4.21Å; L165-L335 HydrophobicContact CD2-CB 4.01Å; L165-L335 HydrophobicContact CD2-CD1 4.4Å; M322-L335 HydrophobicContact CE-CD1 3.99Å; M322-L335 HydrophobicContact CE-CD2 4.15Å; V324-L335 HydrophobicContact CG2-CD2 4.22Å; M327-L335 HydrophobicContact SD-CD2 4.16Å; V331-L335 PolarHBondContact O-N 2.61Å; K332-L335 WeakPolarHBondContact O-CB 3.5Å; K332-L335 PolarHBondContact O-N 2.92Å; A333-L335 VanDerWaalsContact C-N 3.34Å; L335-K337 VanDerWaalsContact C-N 3.31Å; L335-K337 PolarHBondContact O-N 3.05Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 3.18Å; L335-L338 VanDerWaalsContact O-N 3.09Å; L335-V339 HydrophobicContact CD1-CG1 4.3Å; L335-V339 PolarHBondContact O-N 3.46Å
336	T	94.8	Very high	96.1	Very high	49 Å²	49	65.8 Å²	65.8	30%	0.301	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-41.1	176.9	-62.7	0	0	0	0	111.6	Q122 Y150 K332 A333 V339 S340	Q122-T336 PolarHBondContact NE2-OG1 3.29Å; Y150-T336 PolarHBondContact OH-OG1 2.86Å; K332-T336 PolarHBondContact O-N 2.98Å; K332-T336 PolarHBondContact O-OG1 2.78Å; A333-T336 PolarHBondContact O-N 2.68Å; T336-V339 WeakPolarHBondContact O-CG2 3.29Å; T336-S340 WeakPolarHBondContact O-CB 3.29Å; T336-S340 PolarHBondContact O-N 2.77Å; T336-S340 VanDerWaalsContact O-N 3.1Å
337	K	95.3	Very high	96.1	Very high	131 Å²	131	63.2 Å²	63.2	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-63.4	-42	172.4	179.4	-176.2	173.7	-175.1	0	112.2	A333 Q334 L335 S340 V341	A333-K337 PolarHBondContact O-N 2.94Å; Q334-K337 PolarHBondContact O-N 3.12Å; L335-K337 VanDerWaalsContact C-N 3.31Å; L335-K337 PolarHBondContact O-N 3.05Å; K337-S340 PolarHBondContact O-N 2.76Å; K337-S340 PolarHBondContact O-OG 3.47Å; K337-V341 PolarHBondContact O-N 3.17Å
338	L	95	Very high	96.2	Very high	42 Å²	42	64.6 Å²	64.6	22%	0.22	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-39.5	-179.6	178.5	61.9	0	0	0	111.8	T161 K164 Q334 L335 V341	T161-L338 HydrophobicContact CG2-CD2 3.78Å; T161-L338 HydrophobicContact CG2-CG 4.33Å; K164-L338 HydrophobicContact CD-CD1 4.42Å; Q334-L338 WeakPolarHBondContact O-CB 3.29Å; Q334-L338 PolarHBondContact O-N 3.22Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 3.18Å; L335-L338 VanDerWaalsContact O-N 3.09Å; L338-V341 WeakPolarHBondContact O-CG2 3.18Å
339	V	94.7	Very high	96.3	Very high	21 Å²	21	61.2 Å²	61.2	13%	0.127	34%	0.335	C	S	.	.	H	α-helix	trans	-74	-29.3	176.8	-59.8	0	0	0	0	112.2	Y150 T161 L335 T336 V341 R342	Y150-V339 HydrophobicContact CD1-CG1 4.46Å; Y150-V339 HydrophobicContact CD1-CG2 4.28Å; Y150-V339 HydrophobicContact CE1-CG2 4.45Å; T161-V339 HydrophobicContact CG2-CG1 4.17Å; L335-V339 HydrophobicContact CD1-CG1 4.3Å; L335-V339 PolarHBondContact O-N 3.46Å; T336-V339 WeakPolarHBondContact O-CG2 3.29Å; V339-V341 PolarHBondContact O-N 2.95Å; V339-R342 PolarHBondContact O-N 3.4Å
340	S	93.6	Very high	96.4	Very high	51 Å²	51	56.6 Å²	56.6	36%	0.357	31%	0.305	S	S	.	.	H	α-helix	trans	-71.2	-28.9	-178.7	74.8	0	0	0	0	114.4	S121 T336 K337 R342 L343	S121-S340 WeakPolarHBondContact OG-CA 3.23Å; T336-S340 WeakPolarHBondContact O-CB 3.29Å; T336-S340 PolarHBondContact O-N 2.77Å; T336-S340 VanDerWaalsContact O-N 3.1Å; K337-S340 PolarHBondContact O-N 2.76Å; K337-S340 PolarHBondContact O-OG 3.47Å; S340-R342 PolarHBondContact O-N 3Å; S340-L343 PolarHBondContact O-N 2.89Å
341	V	92.6	Very high	96.4	Very high	109 Å²	109	49.3 Å²	49.3	66%	0.661	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12	174.8	-58.8	0	0	0	0	113.3	K337 L338 V339	K337-V341 PolarHBondContact O-N 3.17Å; L338-V341 WeakPolarHBondContact O-CG2 3.18Å; V339-V341 PolarHBondContact O-N 2.95Å
342	R	91.4	Very high	96.5	Very high	131 Å²	131	46.6 Å²	46.6	49%	0.494	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.4	176.4	-61.8	177.3	66.3	-175.5	-2.7	113	D157 V339 S340 C344	D157-R342 IonicContact OD1-CZ 2.71Å; D157-R342 IonicContact OD1-NH1 3.62Å; D157-R342 PolarHBondContact OD1-NH1 3.36Å; D157-R342 IonicContact OD1-NH2 2.67Å; D157-R342 PolarHBondContact OD1-NH2 3.42Å; D157-R342 IonicContact OD2-CZ 2.7Å; D157-R342 IonicContact OD2-NH1 2.67Å; D157-R342 IonicContact OD2-NH2 3.71Å; V339-R342 PolarHBondContact O-N 3.4Å; S340-R342 PolarHBondContact O-N 3Å; R342-C344 PolarHBondContact O-N 2.98Å
343	L	95.3	Very high	96.6	Very high	84 Å²	84	44.4 Å²	44.4	44%	0.44	25%	0.245	S	C	.	.			trans	68.7	-82.4	-176.4	-51.1	170.6	0	0	0	112	Y118 S121 S340	Y118-L343 HydrophobicContact CD1-CB 3.89Å; Y118-L343 HydrophobicContact CD1-CD1 4.21Å; Y118-L343 HydrophobicContact CE1-CB 3.92Å; Y118-L343 HydrophobicContact CE1-CD1 3.47Å; Y118-L343 VanDerWaalsContact CE1-CD1 3.47Å; Y118-L343 HydrophobicContact CE1-CG 4.31Å; Y118-L343 HydrophobicContact CE2-CD1 3.95Å; Y118-L343 HydrophobicContact CG-CB 4.47Å; Y118-L343 WeakPolarHBondContact OH-CD1 3.44Å; S121-L343 WeakPolarHBondContact CA-O 3.35Å; S121-L343 WeakPolarHBondContact CB-O 3.27Å; S121-L343 PolarHBondContact OG-O 3.41Å; S340-L343 PolarHBondContact O-N 2.89Å
344	C	97.1	Very high	96.6	Very high	24 Å²	24	41.8 Å²	41.8	16%	0.162	22%	0.223	C	C	.	.			trans	-162.5	162.8	175.4	69	0	0	0	0	111.3	S119 R342	S119-C344 PolarHBondContact N-SG 3.44Å; S119-C344 VanDerWaalsContact OG-CB 3.27Å; S119-C344 WeakPolarHBondContact OG-CB 3.26Å; R342-C344 PolarHBondContact O-N 2.98Å
345	P	97.8	Very high	96.7	Very high	10 Å²	10	37.1 Å²	37.1	7%	0.065	20%	0.201	C	C	.	.			trans	-61.3	153.5	165.8	-17.4	29.6	0	0	0	111.3	L151 V347 Q350	L151-P345 HydrophobicContact CB-CG 4.31Å; L151-P345 WeakPolarHBondContact O-CG 3.36Å; P345-V347 PolarHBondContact O-N 2.91Å; P345-Q350 HydrophobicContact CB-CG 4.26Å; P345-Q350 PolarHBondContact O-NE2 3.27Å
346	P	98.1	Very high	96.7	Very high	69 Å²	69	37.2 Å²	37.2	45%	0.448	20%	0.202	S	C	.	.			trans	-55.7	125.8	174.8	-25.7	34.9	0	0	0	112.2	P348 G349 Q350	P346-P348 VanDerWaalsContact C-CD 3.46Å; P346-G349 PolarHBondContact O-N 3.49Å; P346-Q350 PolarHBondContact O-N 3.1Å
347	V	98.5	Very high	96.9	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-37.4	-176.4	176.7	0	0	0	0	113.6	I115 A117 I124 P345 G349 Q350 A351	I115-V347 HydrophobicContact CB-CB 4.29Å; I115-V347 HydrophobicContact CB-CG1 3.74Å; I115-V347 HydrophobicContact CG2-CG1 3.87Å; I115-V347 WeakPolarHBondContact O-CB 3.5Å; A117-V347 WeakPolarHBondContact O-CG2 3.5Å; I124-V347 HydrophobicContact CD1-CG1 3.74Å; P345-V347 PolarHBondContact O-N 2.91Å; V347-G349 PolarHBondContact O-N 3.2Å; V347-Q350 CarbonylContact O-C 3.52Å; V347-Q350 WeakPolarHBondContact O-CA 3.47Å; V347-Q350 WeakPolarHBondContact O-CB 3.36Å; V347-Q350 PolarHBondContact O-N 2.94Å; V347-A351 WeakPolarHBondContact O-CB 3.3Å; V347-A351 PolarHBondContact O-N 3.39Å
348	P	98.4	Very high	97	Very high	45 Å²	45	30.7 Å²	30.7	29%	0.292	17%	0.171	S	C	.	.	H	α-helix	trans	-57.3	-35	174.3	-26.1	33.8	0	0	0	113.9	I115 F317 P346 L352	I115-P348 HydrophobicContact CD1-CG 4.25Å; F317-P348 HydrophobicContact CD1-CB 4.49Å; P346-P348 VanDerWaalsContact C-CD 3.46Å; P348-L352 WeakPolarHBondContact O-CB 3.38Å; P348-L352 PolarHBondContact O-N 2.87Å
349	G	98.5	Very high	97.1	Very high	2 Å²	2	30 Å²	30	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-70.9	-35.2	174.7	0	0	0	0	0	112.7	F317 G319 P346 V347 L353	F317-G349 VanDerWaalsContact O-CA 3.27Å; F317-G349 WeakPolarHBondContact O-CA 3.41Å; G319-G349 WeakPolarHBondContact CA-O 3.16Å; P346-G349 PolarHBondContact O-N 3.49Å; V347-G349 PolarHBondContact O-N 3.2Å; G349-L353 PolarHBondContact O-N 3.42Å; G349-L353 VanDerWaalsContact O-N 3.1Å
350	Q	98.8	Very high	97.2	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-46.4	173.1	-56.5	-176.1	43	0	0	111.2	S119 G123 I127 L151 P345 P346 V347 L352 L353 D354	S119-Q350 PolarHBondContact OG-NE2 3.27Å; S119-Q350 PolarHBondContact OG-OE1 3.47Å; G123-Q350 VanDerWaalsContact CA-OE1 3.26Å; I127-Q350 HydrophobicContact CD1-CB 4.02Å; L151-Q350 HydrophobicContact CB-CG 4.35Å; L151-Q350 HydrophobicContact CD1-CB 3.93Å; L151-Q350 HydrophobicContact CD1-CG 3.87Å; P345-Q350 HydrophobicContact CB-CG 4.26Å; P345-Q350 PolarHBondContact O-NE2 3.27Å; P346-Q350 PolarHBondContact O-N 3.1Å; V347-Q350 CarbonylContact O-C 3.52Å; V347-Q350 WeakPolarHBondContact O-CA 3.47Å; V347-Q350 WeakPolarHBondContact O-CB 3.36Å; V347-Q350 PolarHBondContact O-N 2.94Å; Q350-L352 VanDerWaalsContact C-N 3.34Å; Q350-L352 PolarHBondContact O-N 3.5Å; Q350-L353 WeakPolarHBondContact O-CA 3.48Å; Q350-L353 WeakPolarHBondContact O-CB 3.48Å; Q350-L353 PolarHBondContact O-N 3.32Å; Q350-D354 PolarHBondContact O-N 3.08Å
351	A	98.7	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-45.1	177.1	0	0	0	0	0	111.3	L81 I106 V347 L353 D354 L355	L81-A351 HydrophobicContact CD2-CB 4.06Å; I106-A351 HydrophobicContact CD1-CB 4.07Å; I106-A351 HydrophobicContact CG2-CB 3.96Å; V347-A351 WeakPolarHBondContact O-CB 3.3Å; V347-A351 PolarHBondContact O-N 3.39Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.09Å; A351-D354 VanDerWaalsContact O-CB 3.28Å; A351-D354 WeakPolarHBondContact O-CB 3.35Å; A351-D354 PolarHBondContact O-N 3.23Å; A351-L355 WeakPolarHBondContact O-CG 3.44Å; A351-L355 PolarHBondContact O-N 2.79Å
352	L	98.6	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-39.5	174.6	177.5	65.8	0	0	0	112.3	F77 L81 T307 E314 F317 P348 Q350 D354 L355 V356	F77-L352 HydrophobicContact CB-CD1 3.79Å; F77-L352 HydrophobicContact CD1-CD1 4.46Å; F77-L352 HydrophobicContact CD2-CD1 4Å; F77-L352 HydrophobicContact CG-CD1 3.84Å; L81-L352 HydrophobicContact CD1-CB 4.3Å; L81-L352 HydrophobicContact CD1-CD1 4.12Å; L81-L352 HydrophobicContact CD2-CB 4.42Å; T307-L352 HydrophobicContact CG2-CD2 4.19Å; T307-L352 HydrophobicContact CG2-CG 4.14Å; E314-L352 HydrophobicContact CB-CD2 3.32Å; E314-L352 HydrophobicContact CG-CD1 4.1Å; E314-L352 HydrophobicContact CG-CD2 3.67Å; E314-L352 HydrophobicContact CG-CG 4.47Å; F317-L352 HydrophobicContact CB-CD2 3.55Å; F317-L352 HydrophobicContact CD2-CD2 3.94Å; F317-L352 HydrophobicContact CG-CD2 3.85Å; P348-L352 WeakPolarHBondContact O-CB 3.38Å; P348-L352 PolarHBondContact O-N 2.87Å; Q350-L352 VanDerWaalsContact C-N 3.34Å; Q350-L352 PolarHBondContact O-N 3.5Å; L352-D354 VanDerWaalsContact C-N 3.29Å; L352-D354 PolarHBondContact O-N 3.04Å; L352-L355 PolarHBondContact O-N 3.13Å; L352-L355 VanDerWaalsContact O-N 3.15Å; L352-V356 PolarHBondContact O-N 3.47Å; L352-V356 VanDerWaalsContact O-N 3.12Å
353	L	98.7	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-41.4	177.1	175.4	68.1	0	0	0	111.2	V131 L151 T307 G320 Y321 G349 Q350 A351 L355 V356 V357	V131-L353 HydrophobicContact CG2-CD2 4.05Å; V131-L353 HydrophobicContact CG2-CG 4.36Å; L151-L353 HydrophobicContact CD2-CD2 3.57Å; T307-L353 HydrophobicContact CG2-CB 3.8Å; T307-L353 HydrophobicContact CG2-CD1 3.94Å; G320-L353 WeakPolarHBondContact O-CD2 3.35Å; Y321-L353 HydrophobicContact CD1-CD1 3.76Å; Y321-L353 HydrophobicContact CD1-CD2 3.87Å; Y321-L353 HydrophobicContact CD1-CG 4.35Å; Y321-L353 HydrophobicContact CE1-CD1 4.22Å; Y321-L353 HydrophobicContact CG-CD2 4.44Å; G349-L353 PolarHBondContact O-N 3.42Å; G349-L353 VanDerWaalsContact O-N 3.1Å; Q350-L353 WeakPolarHBondContact O-CA 3.48Å; Q350-L353 WeakPolarHBondContact O-CB 3.48Å; Q350-L353 PolarHBondContact O-N 3.32Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.09Å; L353-L355 PolarHBondContact O-N 3.12Å; L353-V356 WeakPolarHBondContact O-CB 3.4Å; L353-V356 PolarHBondContact O-N 2.95Å; L353-V357 HydrophobicContact CD1-CG1 3.96Å; L353-V357 HydrophobicContact CG-CG1 4.44Å; L353-V357 WeakPolarHBondContact O-CG2 3.3Å; L353-V357 PolarHBondContact O-N 3.24Å
354	D	98.6	Very high	98	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-50.8	-45.2	173.5	-169.9	61.7	0	0	0	111.2	R105 I106 I127 D130 Q350 A351 L352 V356 V357 N358	R105-D354 IonicContact NH1-OD1 3.54Å; R105-D354 IonicContact NH1-OD2 3.52Å; I106-D354 HydrophobicContact CD1-CB 4.49Å; I127-D354 HydrophobicContact CB-CB 4.47Å; I127-D354 HydrophobicContact CD1-CB 4.08Å; I127-D354 HydrophobicContact CG1-CB 3.96Å; I127-D354 HydrophobicContact CG2-CB 3.95Å; D130-D354 VanDerWaalsContact CG-OD1 3.32Å; Q350-D354 PolarHBondContact O-N 3.08Å; A351-D354 VanDerWaalsContact O-CB 3.28Å; A351-D354 WeakPolarHBondContact O-CB 3.35Å; A351-D354 PolarHBondContact O-N 3.23Å; L352-D354 VanDerWaalsContact C-N 3.29Å; L352-D354 PolarHBondContact O-N 3.04Å; D354-V356 PolarHBondContact O-N 2.88Å; D354-V357 WeakPolarHBondContact O-CG2 3.47Å; D354-V357 PolarHBondContact O-N 3.42Å; D354-N358 WeakPolarHBondContact O-CA 3.35Å; D354-N358 VanDerWaalsContact O-CB 3.23Å; D354-N358 WeakPolarHBondContact O-CB 3.41Å; D354-N358 PolarHBondContact O-N 3.36Å
355	L	98.6	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.5	-30.4	-179.6	-49.1	176.4	0	0	0	113.4	F76 F77 V80 R102 I106 A351 L352 L353 N358 P359	F76-L355 HydrophobicContact CE1-CD2 4.14Å; F77-L355 HydrophobicContact CB-CD1 4.35Å; F77-L355 HydrophobicContact CD1-CB 3.54Å; F77-L355 HydrophobicContact CD1-CD1 4Å; F77-L355 HydrophobicContact CD1-CG 4.41Å; F77-L355 HydrophobicContact CE1-CB 3.68Å; V80-L355 HydrophobicContact CB-CD1 3.63Å; V80-L355 HydrophobicContact CB-CD2 4.12Å; V80-L355 HydrophobicContact CG1-CD1 3.94Å; V80-L355 HydrophobicContact CG1-CD2 3.86Å; V80-L355 HydrophobicContact CG1-CG 4.46Å; V80-L355 HydrophobicContact CG2-CD1 4.13Å; V80-L355 HydrophobicContact CG2-CD2 4.02Å; R102-L355 HydrophobicContact CB-CD2 4.1Å; R102-L355 HydrophobicContact CG-CD2 4.19Å; I106-L355 HydrophobicContact CD1-CD2 4.49Å; A351-L355 WeakPolarHBondContact O-CG 3.44Å; A351-L355 PolarHBondContact O-N 2.79Å; L352-L355 PolarHBondContact O-N 3.13Å; L352-L355 VanDerWaalsContact O-N 3.15Å; L353-L355 PolarHBondContact O-N 3.12Å; L355-N358 CarbonylContact O-C 3.52Å; L355-P359 WeakPolarHBondContact O-CA 3.46Å
356	V	98.2	Very high	98.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-41.3	175.4	168.2	0	0	0	0	110.6	F77 T307 M312 L352 L353 D354	F77-V356 HydrophobicContact CE2-CG2 4.41Å; F77-V356 HydrophobicContact CZ-CG2 4.16Å; T307-V356 HydrophobicContact CG2-CG2 4.12Å; M312-V356 HydrophobicContact CB-CG2 4.11Å; M312-V356 HydrophobicContact CG-CG2 3.91Å; M312-V356 HydrophobicContact SD-CB 4.3Å; M312-V356 HydrophobicContact SD-CG1 3.51Å; M312-V356 VanDerWaalsContact SD-CG1 3.51Å; M312-V356 HydrophobicContact SD-CG2 3.78Å; L352-V356 PolarHBondContact O-N 3.47Å; L352-V356 VanDerWaalsContact O-N 3.12Å; L353-V356 WeakPolarHBondContact O-CB 3.4Å; L353-V356 PolarHBondContact O-N 2.95Å; D354-V356 PolarHBondContact O-N 2.88Å
357	V	98.3	Very high	98.1	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.055	17%	0.168	C	C	.	.	H	α-helix	trans	-88.6	-19.5	-177.2	-57.8	0	0	0	0	113	D130 V131 Y134 Y321 L353 D354 P359	D130-V357 HydrophobicContact CB-CG2 3.89Å; V131-V357 HydrophobicContact CG2-CG1 4.18Å; V131-V357 HydrophobicContact CG2-CG2 3.99Å; Y134-V357 WeakPolarHBondContact CB-O 3.32Å; Y134-V357 HydrophobicContact CD1-CB 4.2Å; Y134-V357 HydrophobicContact CD1-CG1 3.98Å; Y134-V357 HydrophobicContact CD2-CB 4Å; Y134-V357 HydrophobicContact CD2-CG1 4.4Å; Y134-V357 WeakPolarHBondContact CD2-O 3.24Å; Y134-V357 HydrophobicContact CE1-CG1 4.44Å; Y134-V357 HydrophobicContact CG-CB 3.68Å; Y134-V357 HydrophobicContact CG-CG1 3.97Å; Y321-V357 HydrophobicContact CE1-CG1 4.22Å; L353-V357 HydrophobicContact CD1-CG1 3.96Å; L353-V357 HydrophobicContact CG-CG1 4.44Å; L353-V357 WeakPolarHBondContact O-CG2 3.3Å; L353-V357 PolarHBondContact O-N 3.24Å; D354-V357 WeakPolarHBondContact O-CG2 3.47Å; D354-V357 PolarHBondContact O-N 3.42Å; V357-P359 VanDerWaalsContact C-CD 3.46Å
358	N	97.2	Very high	98.1	Very high	33 Å²	33	35 Å²	35	18%	0.176	20%	0.199	C	C	.	.	S	Bend	trans	-128.6	65.3	177	-170.9	15.6	0	0	0	111	D130 D354 L355	D130-N358 HydrophobicContact CB-CB 4.4Å; D130-N358 PolarHBondContact OD1-ND2 2.97Å; D354-N358 WeakPolarHBondContact O-CA 3.35Å; D354-N358 VanDerWaalsContact O-CB 3.23Å; D354-N358 WeakPolarHBondContact O-CB 3.41Å; D354-N358 PolarHBondContact O-N 3.36Å; L355-N358 CarbonylContact O-C 3.52Å
359	P	97.1	Very high	98.1	Very high	29 Å²	29	35.4 Å²	35.4	19%	0.188	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-66.5	169.9	178.7	31	-36.9	0	0	0	111.4	L355 V357 Q361 F370	L355-P359 WeakPolarHBondContact O-CA 3.46Å; V357-P359 VanDerWaalsContact C-CD 3.46Å; P359-Q361 PolarHBondContact O-N 3.2Å; P359-Q361 PolarHBondContact O-NE2 3.3Å; P359-F370 HydrophobicContact CB-CD1 4.36Å; P359-F370 HydrophobicContact CB-CE1 3.57Å; P359-F370 HydrophobicContact CB-CE2 4.28Å; P359-F370 HydrophobicContact CB-CZ 3.52Å; P359-F370 HydrophobicContact CG-CE1 4.49Å
360	P	98.2	Very high	98.1	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.026	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-51	140.2	172.3	-28.2	36.5	0	0	0	112.5	F76 E364 Y367 F370	F76-P360 HydrophobicContact CD1-CG 3.62Å; F76-P360 HydrophobicContact CD2-CG 3.89Å; F76-P360 HydrophobicContact CE1-CG 3.65Å; F76-P360 HydrophobicContact CE2-CG 3.89Å; F76-P360 HydrophobicContact CG-CG 3.74Å; F76-P360 HydrophobicContact CZ-CG 3.77Å; P360-E364 WeakPolarHBondContact CA-OE2 3.46Å; P360-Y367 VanDerWaalsContact O-CD2 3.32Å; P360-Y367 WeakPolarHBondContact O-CD2 2.95Å; P360-F370 HydrophobicContact CG-CB 4.02Å; P360-F370 HydrophobicContact CG-CD2 4.4Å; P360-F370 HydrophobicContact CG-CG 4.07Å
361	Q	97.1	Very high	98.1	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.257	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-94.8	158.3	177.6	-59.7	-53.1	-61.8	0	0	111.4	P359 D363 E364 Y367	P359-Q361 PolarHBondContact O-N 3.2Å; P359-Q361 PolarHBondContact O-NE2 3.3Å; Q361-D363 WeakPolarHBondContact CB-OD1 3.36Å; Q361-D363 PolarHBondContact O-N 3.25Å; Q361-E364 HydrophobicContact CB-CG 4.18Å; Q361-E364 PolarHBondContact N-OE2 3.02Å; Q361-E364 WeakPolarHBondContact O-CB 3.29Å; Q361-E364 PolarHBondContact O-N 2.86Å; Q361-Y367 VanDerWaalsContact C-CD2 3.44Å; Q361-Y367 WeakPolarHBondContact O-CB 3.48Å
362	P	97.4	Very high	98	Very high	90 Å²	90	45.2 Å²	45.2	58%	0.584	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.8	-172.6	-30	37	0	0	0	116.9	Y367	P362-Y367 HydrophobicContact CB-CD1 4.45Å; P362-Y367 HydrophobicContact CB-CE1 4.2Å; P362-Y367 HydrophobicContact CB-CE2 4.46Å; P362-Y367 HydrophobicContact CG-CE1 4.43Å; P362-Y367 HydrophobicContact CG-CE2 3.98Å
363	D	96.7	Very high	98	Very high	144 Å²	144	47.7 Å²	47.7	77%	0.77	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.9	179	59.4	-41.8	0	0	0	113.9	Q361	Q361-D363 WeakPolarHBondContact CB-OD1 3.36Å; Q361-D363 PolarHBondContact O-N 3.25Å
364	E	98.1	Very high	98	Very high	33 Å²	33	51 Å²	51	15%	0.154	27%	0.271	C	S	.	.	S	Bend	trans	-94	144.6	-177.3	-64.6	-176.5	131.3	0	0	113.1	D98 R102 P360 Q361 S366 Y367	D98-E364 HydrophobicContact CB-CB 4.12Å; D98-E364 HydrophobicContact CB-CG 4.45Å; R102-E364 IonicContact CZ-OE1 2.68Å; R102-E364 IonicContact CZ-OE2 3.76Å; R102-E364 IonicContact NH1-OE1 3.62Å; R102-E364 PolarHBondContact NH1-OE1 3.08Å; R102-E364 IonicContact NH1-OE2 3.81Å; R102-E364 IonicContact NH2-OE1 3.82Å; R102-E364 PolarHBondContact NH2-OE1 3.06Å; R102-E364 IonicContact NH2-OE2 3.3Å; R102-E364 PolarHBondContact NH2-OE2 3.26Å; P360-E364 WeakPolarHBondContact CA-OE2 3.46Å; Q361-E364 HydrophobicContact CB-CG 4.18Å; Q361-E364 PolarHBondContact N-OE2 3.02Å; Q361-E364 WeakPolarHBondContact O-CB 3.29Å; Q361-E364 PolarHBondContact O-N 2.86Å; E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 3.11Å; E364-S366 VanDerWaalsContact O-N 3.13Å; E364-Y367 VanDerWaalsContact O-CB 3.32Å; E364-Y367 WeakPolarHBondContact O-CB 3.36Å; E364-Y367 PolarHBondContact O-N 3.47Å; E364-Y367 VanDerWaalsContact O-N 3.08Å
365	P	97.5	Very high	97.9	Very high	96 Å²	96	54.8 Å²	54.8	62%	0.623	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.7	-174.9	-28.4	34.1	0	0	0	115.8	P96	P96-P365 HydrophobicContact CB-CB 4.38Å
366	S	98.5	Very high	97.8	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.028	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.2	-176.1	-57	0	0	0	0	113.5	F76 P96 D98 E364 T368 S369 F370	F76-S366 VanDerWaalsContact CD2-CB 3.47Å; P96-S366 VanDerWaalsContact CG-OG 3.26Å; P96-S366 WeakPolarHBondContact CG-OG 3.24Å; D98-S366 VanDerWaalsContact CG-OG 3.27Å; D98-S366 PolarHBondContact OD1-OG 3.3Å; D98-S366 WeakPolarHBondContact OD2-CA 3.37Å; D98-S366 WeakPolarHBondContact OD2-CB 3.44Å; D98-S366 PolarHBondContact OD2-N 2.9Å; D98-S366 PolarHBondContact OD2-OG 2.91Å; E364-S366 VanDerWaalsContact C-N 3.27Å; E364-S366 PolarHBondContact O-N 3.11Å; E364-S366 VanDerWaalsContact O-N 3.13Å; S366-T368 PolarHBondContact O-N 2.86Å; S366-S369 PolarHBondContact O-OG 3.47Å; S366-F370 WeakPolarHBondContact O-CB 3.42Å; S366-F370 PolarHBondContact O-N 3.17Å
367	Y	98.6	Very high	97.7	Very high	70 Å²	70	58.6 Å²	58.6	28%	0.275	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-50	-174.6	178.2	-102.9	0	0	0	113.6	P360 Q361 P362 E364 S369 F370 M371	P360-Y367 VanDerWaalsContact O-CD2 3.32Å; P360-Y367 WeakPolarHBondContact O-CD2 2.95Å; Q361-Y367 VanDerWaalsContact C-CD2 3.44Å; Q361-Y367 WeakPolarHBondContact O-CB 3.48Å; P362-Y367 HydrophobicContact CB-CD1 4.45Å; P362-Y367 HydrophobicContact CB-CE1 4.2Å; P362-Y367 HydrophobicContact CB-CE2 4.46Å; P362-Y367 HydrophobicContact CG-CE1 4.43Å; P362-Y367 HydrophobicContact CG-CE2 3.98Å; E364-Y367 VanDerWaalsContact O-CB 3.32Å; E364-Y367 WeakPolarHBondContact O-CB 3.36Å; E364-Y367 PolarHBondContact O-N 3.47Å; E364-Y367 VanDerWaalsContact O-N 3.08Å; Y367-S369 VanDerWaalsContact C-N 3.35Å; Y367-S369 PolarHBondContact O-N 2.82Å; Y367-F370 PolarHBondContact O-N 2.91Å; Y367-M371 HydrophobicContact CD1-CG 4.33Å; Y367-M371 HydrophobicContact CD2-CG 3.9Å; Y367-M371 HydrophobicContact CE1-CG 3.99Å; Y367-M371 HydrophobicContact CE2-CG 3.51Å; Y367-M371 HydrophobicContact CE2-SD 4.12Å; Y367-M371 HydrophobicContact CG-CG 4.3Å; Y367-M371 WeakPolarHBondContact O-CB 3.37Å; Y367-M371 WeakPolarHBondContact O-CG 3.4Å; Y367-M371 PolarHBondContact O-N 3.28Å
368	T	98.3	Very high	97.5	Very high	113 Å²	113	59.8 Å²	59.8	69%	0.693	33%	0.329	S	S	*	.	H	α-helix	trans	-62.7	-42.6	-176	-55.3	0	0	0	0	111.6	S366 K372	S366-T368 PolarHBondContact O-N 2.86Å; T368-K372 WeakPolarHBondContact O-CB 3.46Å; T368-K372 PolarHBondContact O-N 3.27Å; T368-K372 VanDerWaalsContact O-N 3.08Å
369	S	98.3	Very high	97.5	Very high	54 Å²	54	61 Å²	61	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-69.2	-45.2	177.9	53.7	0	0	0	0	111.5	S366 Y367 M371 K372 E373	S366-S369 PolarHBondContact O-OG 3.47Å; Y367-S369 VanDerWaalsContact C-N 3.35Å; Y367-S369 PolarHBondContact O-N 2.82Å; S369-M371 PolarHBondContact O-N 3.15Å; S369-K372 WeakPolarHBondContact O-CB 3.3Å; S369-K372 PolarHBondContact O-N 3Å; S369-E373 WeakPolarHBondContact O-CG 3.32Å; S369-E373 PolarHBondContact O-N 3.43Å
370	F	98.6	Very high	97.4	Very high	3 Å²	3	61.4 Å²	61.4	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-57.3	-49.3	176.1	174.3	-95	0	0	0	111.9	I74 F76 F77 Y311 P359 P360 S366 Y367 K372 E373 R374	I74-F370 HydrophobicContact CG2-CD2 3.63Å; I74-F370 HydrophobicContact CG2-CE2 3.85Å; F76-F370 HydrophobicContact CB-CD2 4.31Å; F77-F370 AromaticContact CE1-CE2 3.77Å; F77-F370 HydrophobicContact CE1-CE2 3.77Å; F77-F370 AromaticContact CZ-CE2 3.69Å; F77-F370 HydrophobicContact CZ-CE2 3.69Å; F77-F370 HydrophobicContact CZ-CZ 4.35Å; Y311-F370 HydrophobicContact CE2-CE2 4.14Å; Y311-F370 AromaticContact CE2-CZ 3.75Å; Y311-F370 HydrophobicContact CE2-CZ 3.75Å; P359-F370 HydrophobicContact CB-CD1 4.36Å; P359-F370 HydrophobicContact CB-CE1 3.57Å; P359-F370 HydrophobicContact CB-CE2 4.28Å; P359-F370 HydrophobicContact CB-CZ 3.52Å; P359-F370 HydrophobicContact CG-CE1 4.49Å; P360-F370 HydrophobicContact CG-CB 4.02Å; P360-F370 HydrophobicContact CG-CD2 4.4Å; P360-F370 HydrophobicContact CG-CG 4.07Å; S366-F370 WeakPolarHBondContact O-CB 3.42Å; S366-F370 PolarHBondContact O-N 3.17Å; Y367-F370 PolarHBondContact O-N 2.91Å; F370-K372 VanDerWaalsContact C-N 3.32Å; F370-K372 PolarHBondContact O-N 3.45Å; F370-E373 PolarHBondContact O-N 3.4Å; F370-R374 WeakPolarHBondContact O-CB 3.43Å; F370-R374 PolarHBondContact O-N 3.01Å
371	M	98.3	Very high	97.3	Very high	47 Å²	47	61.3 Å²	61.3	23%	0.232	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-36.4	179.8	-74.3	-58.6	-65	0	0	112.1	Y367 S369 T375	Y367-M371 HydrophobicContact CD1-CG 4.33Å; Y367-M371 HydrophobicContact CD2-CG 3.9Å; Y367-M371 HydrophobicContact CE1-CG 3.99Å; Y367-M371 HydrophobicContact CE2-CG 3.51Å; Y367-M371 HydrophobicContact CE2-SD 4.12Å; Y367-M371 HydrophobicContact CG-CG 4.3Å; Y367-M371 WeakPolarHBondContact O-CB 3.37Å; Y367-M371 WeakPolarHBondContact O-CG 3.4Å; Y367-M371 PolarHBondContact O-N 3.28Å; S369-M371 PolarHBondContact O-N 3.15Å; M371-T375 WeakPolarHBondContact O-CB 3.28Å; M371-T375 PolarHBondContact O-N 3.12Å; M371-T375 PolarHBondContact O-OG1 3.3Å
372	K	98.4	Very high	97.2	Very high	162 Å²	162	60.2 Å²	60.2	70%	0.704	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-47.8	173.6	-178.8	179.7	178.3	179.8	0	111.5	T368 S369 F370 A376	T368-K372 WeakPolarHBondContact O-CB 3.46Å; T368-K372 PolarHBondContact O-N 3.27Å; T368-K372 VanDerWaalsContact O-N 3.08Å; S369-K372 WeakPolarHBondContact O-CB 3.3Å; S369-K372 PolarHBondContact O-N 3Å; F370-K372 VanDerWaalsContact C-N 3.32Å; F370-K372 PolarHBondContact O-N 3.45Å; K372-A376 VanDerWaalsContact O-CB 3.25Å; K372-A376 WeakPolarHBondContact O-CB 3.44Å; K372-A376 PolarHBondContact O-N 3.46Å
373	E	98.4	Very high	97.2	Very high	51 Å²	51	60.5 Å²	60.5	24%	0.238	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-51.1	178.2	-70.7	174.6	169.9	0	0	111.5	I74 T75 S369 F370 T375 A376 V377	I74-E373 HydrophobicContact CD1-CB 3.82Å; I74-E373 WeakPolarHBondContact CG2-OE2 3.47Å; T75-E373 VanDerWaalsContact CB-OE1 3.29Å; T75-E373 WeakPolarHBondContact CB-OE1 3.49Å; T75-E373 PolarHBondContact N-OE2 2.97Å; T75-E373 PolarHBondContact OG1-OE1 3.07Å; S369-E373 WeakPolarHBondContact O-CG 3.32Å; S369-E373 PolarHBondContact O-N 3.43Å; F370-E373 PolarHBondContact O-N 3.4Å; E373-T375 PolarHBondContact O-N 3.44Å; E373-A376 PolarHBondContact O-N 3.07Å; E373-V377 WeakPolarHBondContact O-CG2 3.35Å; E373-V377 PolarHBondContact O-N 2.86Å
374	R	97.1	Very high	97.1	Very high	70 Å²	70	54.3 Å²	54.3	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-55.5	-50.8	177.6	173	174.6	176.1	-115	-2	111.8	Y311 F370 A376 V377 L378	Y311-R374 HydrophobicContact CD1-CG 4.09Å; Y311-R374 HydrophobicContact CD2-CB 3.92Å; Y311-R374 HydrophobicContact CD2-CG 3.69Å; Y311-R374 HydrophobicContact CE1-CG 4.35Å; Y311-R374 HydrophobicContact CE2-CB 4.24Å; Y311-R374 HydrophobicContact CE2-CG 3.96Å; Y311-R374 HydrophobicContact CG-CB 4.39Å; Y311-R374 HydrophobicContact CG-CG 3.76Å; F370-R374 WeakPolarHBondContact O-CB 3.43Å; F370-R374 PolarHBondContact O-N 3.01Å; R374-A376 PolarHBondContact O-N 3Å; R374-V377 PolarHBondContact O-N 3.38Å; R374-L378 HydrophobicContact CG-CD1 4.07Å; R374-L378 WeakPolarHBondContact O-CG 3.5Å; R374-L378 PolarHBondContact O-N 3.05Å
375	T	96.4	Very high	97	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-41.3	-177.7	-54.8	0	0	0	0	111.1	M371 E373 V377 L378 A379	M371-T375 WeakPolarHBondContact O-CB 3.28Å; M371-T375 PolarHBondContact O-N 3.12Å; M371-T375 PolarHBondContact O-OG1 3.3Å; E373-T375 PolarHBondContact O-N 3.44Å; T375-V377 PolarHBondContact O-N 2.8Å; T375-L378 PolarHBondContact O-N 3.28Å; T375-A379 VanDerWaalsContact O-CB 3.25Å; T375-A379 WeakPolarHBondContact O-CB 3.46Å; T375-A379 PolarHBondContact O-N 3.14Å
376	A	96.8	Very high	96.9	Very high	59 Å²	59	54.2 Å²	54.2	49%	0.488	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-42.2	177.4	0	0	0	0	0	112.2	K372 E373 R374 A380	K372-A376 VanDerWaalsContact O-CB 3.25Å; K372-A376 WeakPolarHBondContact O-CB 3.44Å; K372-A376 PolarHBondContact O-N 3.46Å; E373-A376 PolarHBondContact O-N 3.07Å; R374-A376 PolarHBondContact O-N 3Å; A376-A380 WeakPolarHBondContact O-CB 2.97Å; A376-A380 PolarHBondContact O-N 2.98Å
377	V	96.4	Very high	96.8	Very high	24 Å²	24	55.2 Å²	55.2	15%	0.145	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-48.6	177.5	173.3	0	0	0	0	111.1	Q71 E373 R374 T375 A380 L381	Q71-V377 HydrophobicContact CG-CG1 4.29Å; Q71-V377 HydrophobicContact CG-CG2 4.38Å; E373-V377 WeakPolarHBondContact O-CG2 3.35Å; E373-V377 PolarHBondContact O-N 2.86Å; R374-V377 PolarHBondContact O-N 3.38Å; T375-V377 PolarHBondContact O-N 2.8Å; V377-A380 PolarHBondContact O-N 2.79Å; V377-L381 HydrophobicContact CG1-CD1 4.07Å; V377-L381 WeakPolarHBondContact O-CG 3.45Å; V377-L381 PolarHBondContact O-N 2.88Å
378	L	95.3	Very high	96.7	Very high	35 Å²	35	51.9 Å²	51.9	18%	0.183	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-42.6	-180	-69.3	174.1	0	0	0	112.1	D272 N273 R374 T375 A380 L381 A382	D272-L378 WeakPolarHBondContact O-CD2 3.46Å; N273-L378 WeakPolarHBondContact OD1-CD2 3.26Å; R374-L378 HydrophobicContact CG-CD1 4.07Å; R374-L378 WeakPolarHBondContact O-CG 3.5Å; R374-L378 PolarHBondContact O-N 3.05Å; T375-L378 PolarHBondContact O-N 3.28Å; L378-A380 PolarHBondContact O-N 3.29Å; L378-L381 PolarHBondContact O-N 3.49Å; L378-A382 PolarHBondContact O-N 3.22Å
379	A	95.3	Very high	96.6	Very high	59 Å²	59	48.8 Å²	48.8	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-44	176.3	0	0	0	0	0	111.8	T375 L381 A382 E383	T375-A379 VanDerWaalsContact O-CB 3.25Å; T375-A379 WeakPolarHBondContact O-CB 3.46Å; T375-A379 PolarHBondContact O-N 3.14Å; A379-L381 VanDerWaalsContact C-N 3.33Å; A379-L381 PolarHBondContact O-N 3.47Å; A379-A382 PolarHBondContact O-N 3.4Å; A379-E383 WeakPolarHBondContact O-CB 3.5Å; A379-E383 PolarHBondContact O-N 3.42Å
380	A	95.8	Very high	96.5	Very high	37 Å²	37	50.6 Å²	50.6	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-36.4	176.9	0	0	0	0	0	112.4	A376 V377 L378 K384	A376-A380 WeakPolarHBondContact O-CB 2.97Å; A376-A380 PolarHBondContact O-N 2.98Å; V377-A380 PolarHBondContact O-N 2.79Å; L378-A380 PolarHBondContact O-N 3.29Å; A380-K384 WeakPolarHBondContact O-CB 3.26Å; A380-K384 VanDerWaalsContact O-CE 3.23Å; A380-K384 WeakPolarHBondContact O-CE 3.29Å; A380-K384 WeakPolarHBondContact O-CG 3.5Å; A380-K384 PolarHBondContact O-N 2.84Å; A380-K384 VanDerWaalsContact O-N 3.11Å
381	L	95.9	Very high	96.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-44.1	174.7	-70.1	172	0	0	0	111.6	Y275 V377 L378 A379 K384 A385 I465 L466	Y275-L381 HydrophobicContact CE1-CB 3.76Å; Y275-L381 WeakPolarHBondContact OH-CB 3.45Å; V377-L381 HydrophobicContact CG1-CD1 4.07Å; V377-L381 WeakPolarHBondContact O-CG 3.45Å; V377-L381 PolarHBondContact O-N 2.88Å; L378-L381 PolarHBondContact O-N 3.49Å; A379-L381 VanDerWaalsContact C-N 3.33Å; A379-L381 PolarHBondContact O-N 3.47Å; L381-K384 PolarHBondContact O-N 3.43Å; L381-A385 WeakPolarHBondContact O-CB 3.31Å; L381-A385 PolarHBondContact O-N 2.99Å; L381-I465 HydrophobicContact CD2-CD1 4.4Å; L381-I465 HydrophobicContact CD2-CG1 4.35Å; L381-L466 HydrophobicContact CD2-CD2 4.07Å
382	A	95.5	Very high	96.4	Very high	32 Å²	32	50.3 Å²	50.3	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-44.1	176.7	0	0	0	0	0	112.2	Y275 L378 A379 K384 A385 R386	Y275-A382 HydrophobicContact CD1-CB 3.73Å; Y275-A382 HydrophobicContact CG-CB 4.06Å; L378-A382 PolarHBondContact O-N 3.22Å; A379-A382 PolarHBondContact O-N 3.4Å; A382-K384 PolarHBondContact O-N 3.09Å; A382-A385 WeakPolarHBondContact O-CB 3.03Å; A382-A385 PolarHBondContact O-N 3.12Å; A382-R386 PolarHBondContact O-N 3.3Å
383	E	96.3	Very high	96.4	Very high	95 Å²	95	46.1 Å²	46.1	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-46.3	176	-175.1	-172.7	174	0	0	111.5	A379 A385 R386 L387	A379-E383 WeakPolarHBondContact O-CB 3.5Å; A379-E383 PolarHBondContact O-N 3.42Å; E383-A385 VanDerWaalsContact C-N 3.35Å; E383-A385 PolarHBondContact O-N 3.06Å; E383-R386 PolarHBondContact O-N 3.02Å; E383-L387 VanDerWaalsContact O-CB 3.27Å; E383-L387 WeakPolarHBondContact O-CB 3.05Å; E383-L387 PolarHBondContact O-N 3.31Å
384	K	96.3	Very high	96.3	Very high	15 Å²	15	48.1 Å²	48.1	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-34.1	179.4	-72.7	-174.7	-64.2	162	0	113	A380 L381 A382 T388 I465 L466 P467 L472	A380-K384 WeakPolarHBondContact O-CB 3.26Å; A380-K384 VanDerWaalsContact O-CE 3.23Å; A380-K384 WeakPolarHBondContact O-CE 3.29Å; A380-K384 WeakPolarHBondContact O-CG 3.5Å; A380-K384 PolarHBondContact O-N 2.84Å; A380-K384 VanDerWaalsContact O-N 3.11Å; L381-K384 PolarHBondContact O-N 3.43Å; A382-K384 PolarHBondContact O-N 3.09Å; K384-T388 WeakPolarHBondContact O-CB 3.45Å; K384-T388 PolarHBondContact O-N 3.5Å; K384-T388 PolarHBondContact O-OG1 3.32Å; K384-I465 HydrophobicContact CB-CB 4.25Å; K384-I465 VanDerWaalsContact CD-O 3.29Å; K384-I465 WeakPolarHBondContact CD-O 3.25Å; K384-I465 WeakPolarHBondContact CE-O 3.26Å; K384-I465 PolarHBondContact NZ-O 2.82Å; K384-L466 PolarHBondContact NZ-O 3.28Å; K384-P467 WeakPolarHBondContact CD-O 3.44Å; K384-P467 PolarHBondContact NZ-O 3.14Å; K384-P467 VanDerWaalsContact NZ-O 3.1Å; K384-L472 HydrophobicContact CB-CD2 3.61Å; K384-L472 HydrophobicContact CD-CD2 3.96Å; K384-L472 HydrophobicContact CG-CD2 3.7Å
385	A	95.9	Very high	96.4	Very high	2 Å²	2	45 Å²	45	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-55.1	173.2	0	0	0	0	0	110.7	Y275 L381 A382 E383 L387 T388 E389 V403 I465	Y275-A385 HydrophobicContact CD2-CB 3.88Å; Y275-A385 HydrophobicContact CE2-CB 4.22Å; L381-A385 WeakPolarHBondContact O-CB 3.31Å; L381-A385 PolarHBondContact O-N 2.99Å; A382-A385 WeakPolarHBondContact O-CB 3.03Å; A382-A385 PolarHBondContact O-N 3.12Å; E383-A385 VanDerWaalsContact C-N 3.35Å; E383-A385 PolarHBondContact O-N 3.06Å; A385-L387 PolarHBondContact O-N 2.94Å; A385-T388 PolarHBondContact O-N 3.06Å; A385-E389 PolarHBondContact O-N 2.93Å; A385-E389 VanDerWaalsContact O-N 3.1Å; A385-V403 HydrophobicContact CB-CB 3.95Å; A385-V403 HydrophobicContact CB-CG1 3.8Å; A385-I465 HydrophobicContact CB-CD1 3.85Å
386	R	95.7	Very high	96.4	Very high	124 Å²	124	45.5 Å²	45.5	47%	0.468	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-47.4	176.9	-173.2	-171.4	65.9	83.1	9.2	112.1	A382 E383 T388 E389 E390	A382-R386 PolarHBondContact O-N 3.3Å; E383-R386 PolarHBondContact O-N 3.02Å; R386-T388 VanDerWaalsContact C-N 3.3Å; R386-T388 PolarHBondContact O-N 3.1Å; R386-E389 PolarHBondContact O-N 3.43Å; R386-E390 HydrophobicContact CG-CG 4.4Å; R386-E390 WeakPolarHBondContact CG-OE1 2.9Å; R386-E390 IonicContact CZ-OE1 3.21Å; R386-E390 IonicContact CZ-OE2 3.08Å; R386-E390 IonicContact NE-OE1 3.51Å; R386-E390 IonicContact NH1-OE1 3.6Å; R386-E390 PolarHBondContact NH1-OE1 3.4Å; R386-E390 IonicContact NH1-OE2 2.86Å; R386-E390 PolarHBondContact NH1-OE2 3.05Å; R386-E390 WeakPolarHBondContact O-CB 3.42Å; R386-E390 WeakPolarHBondContact O-CG 3.37Å; R386-E390 PolarHBondContact O-N 3.3Å
387	L	96.4	Very high	96.5	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-42.1	179.1	178.5	67.4	0	0	0	112.3	E383 A385 I391 T469 L472 K473 L476	E383-L387 VanDerWaalsContact O-CB 3.27Å; E383-L387 WeakPolarHBondContact O-CB 3.05Å; E383-L387 PolarHBondContact O-N 3.31Å; A385-L387 PolarHBondContact O-N 2.94Å; L387-I391 HydrophobicContact CD1-CD1 3.62Å; L387-I391 HydrophobicContact CD1-CG1 4.32Å; L387-I391 HydrophobicContact CG-CD1 3.95Å; L387-I391 WeakPolarHBondContact O-CB 3.27Å; L387-I391 WeakPolarHBondContact O-CG1 3.26Å; L387-I391 PolarHBondContact O-N 2.98Å; L387-I391 VanDerWaalsContact O-N 3.09Å; L387-T469 HydrophobicContact CD2-CG2 4.19Å; L387-L472 HydrophobicContact CD2-CD2 4.48Å; L387-K473 HydrophobicContact CD2-CG 3.91Å; L387-L476 HydrophobicContact CG-CD1 4.35Å
388	T	96.4	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-46.6	-179.6	-61.4	0	0	0	0	111.4	K384 A385 R386 F392 T409 M463 L476	K384-T388 WeakPolarHBondContact O-CB 3.45Å; K384-T388 PolarHBondContact O-N 3.5Å; K384-T388 PolarHBondContact O-OG1 3.32Å; A385-T388 PolarHBondContact O-N 3.06Å; R386-T388 VanDerWaalsContact C-N 3.3Å; R386-T388 PolarHBondContact O-N 3.1Å; T388-F392 HydrophobicContact CG2-CD2 3.6Å; T388-F392 HydrophobicContact CG2-CE2 3.43Å; T388-F392 VanDerWaalsContact CG2-CE2 3.43Å; T388-F392 HydrophobicContact CG2-CZ 4.34Å; T388-F392 WeakPolarHBondContact O-CB 3.27Å; T388-F392 WeakPolarHBondContact O-CD2 3.44Å; T388-F392 PolarHBondContact O-N 3.26Å; T388-T409 HydrophobicContact CG2-CG2 3.39Å; T388-M463 HydrophobicContact CG2-CE 3.4Å; T388-M463 VanDerWaalsContact CG2-CE 3.4Å; T388-L476 HydrophobicContact CG2-CD2 4.09Å
389	E	95.8	Very high	96.7	Very high	49 Å²	49	45.5 Å²	45.5	23%	0.229	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-52	176.7	178.6	-172.2	162	0	0	111.4	A385 R386 I391 F392 N393 P402 V403	A385-E389 PolarHBondContact O-N 2.93Å; A385-E389 VanDerWaalsContact O-N 3.1Å; R386-E389 PolarHBondContact O-N 3.43Å; E389-I391 PolarHBondContact O-N 3.12Å; E389-F392 PolarHBondContact O-N 3.45Å; E389-N393 WeakPolarHBondContact O-CB 3.48Å; E389-N393 PolarHBondContact O-N 3.35Å; E389-N393 PolarHBondContact O-ND2 3.47Å; E389-P402 WeakPolarHBondContact OE2-CA 3.23Å; E389-V403 HydrophobicContact CB-CG2 4.49Å; E389-V403 PolarHBondContact OE2-N 2.74Å
390	E	95.8	Very high	96.8	Very high	92 Å²	92	42.9 Å²	42.9	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-58	-49.2	-179.2	-75.8	174.6	-178.3	0	0	111.4	R386 N393 T394	R386-E390 HydrophobicContact CG-CG 4.4Å; R386-E390 WeakPolarHBondContact CG-OE1 2.9Å; R386-E390 IonicContact CZ-OE1 3.21Å; R386-E390 IonicContact CZ-OE2 3.08Å; R386-E390 IonicContact NE-OE1 3.51Å; R386-E390 IonicContact NH1-OE1 3.6Å; R386-E390 PolarHBondContact NH1-OE1 3.4Å; R386-E390 IonicContact NH1-OE2 2.86Å; R386-E390 PolarHBondContact NH1-OE2 3.05Å; R386-E390 WeakPolarHBondContact O-CB 3.42Å; R386-E390 WeakPolarHBondContact O-CG 3.37Å; R386-E390 PolarHBondContact O-N 3.3Å; E390-N393 PolarHBondContact O-N 2.89Å; E390-T394 VanDerWaalsContact O-CG2 3.26Å; E390-T394 WeakPolarHBondContact O-CG2 3.41Å; E390-T394 PolarHBondContact O-N 3.32Å
391	I	96.6	Very high	96.9	Very high	42 Å²	42	42.7 Å²	42.7	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-47.3	-178.2	-70.3	169.6	0	0	0	111.1	L387 E389 N393 T394 L476	L387-I391 HydrophobicContact CD1-CD1 3.62Å; L387-I391 HydrophobicContact CD1-CG1 4.32Å; L387-I391 HydrophobicContact CG-CD1 3.95Å; L387-I391 WeakPolarHBondContact O-CB 3.27Å; L387-I391 WeakPolarHBondContact O-CG1 3.26Å; L387-I391 PolarHBondContact O-N 2.98Å; L387-I391 VanDerWaalsContact O-N 3.09Å; E389-I391 PolarHBondContact O-N 3.12Å; I391-N393 VanDerWaalsContact C-N 3.29Å; I391-N393 PolarHBondContact O-N 3.49Å; I391-T394 PolarHBondContact O-N 3.11Å; I391-T394 PolarHBondContact O-OG1 3.07Å; I391-L476 HydrophobicContact CB-CD1 4.24Å; I391-L476 HydrophobicContact CD1-CB 4.23Å; I391-L476 HydrophobicContact CD1-CD1 3.56Å; I391-L476 HydrophobicContact CG1-CD1 4.44Å; I391-L476 HydrophobicContact CG2-CB 3.98Å
392	F	97.7	Very high	96.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-38.4	-179.8	-77.2	-32.8	0	0	0	112.6	T388 E389 T394 V395 I398 C400 P411 F461 M463 L476 I479	T388-F392 HydrophobicContact CG2-CD2 3.6Å; T388-F392 HydrophobicContact CG2-CE2 3.43Å; T388-F392 VanDerWaalsContact CG2-CE2 3.43Å; T388-F392 HydrophobicContact CG2-CZ 4.34Å; T388-F392 WeakPolarHBondContact O-CB 3.27Å; T388-F392 WeakPolarHBondContact O-CD2 3.44Å; T388-F392 PolarHBondContact O-N 3.26Å; E389-F392 PolarHBondContact O-N 3.45Å; F392-T394 PolarHBondContact O-N 3.34Å; F392-V395 PolarHBondContact O-N 3.33Å; F392-V395 VanDerWaalsContact O-N 3.07Å; F392-I398 HydrophobicContact CB-CG2 3.91Å; F392-I398 HydrophobicContact CD1-CD1 4.45Å; F392-I398 HydrophobicContact CD1-CG2 4.38Å; F392-I398 HydrophobicContact CG-CG2 4.26Å; F392-C400 HydrophobicContact CB-CB 3.89Å; F392-C400 HydrophobicContact CD2-CB 4.41Å; F392-P411 HydrophobicContact CD2-CB 4.26Å; F392-P411 HydrophobicContact CD2-CG 4.09Å; F392-P411 HydrophobicContact CE2-CG 3.97Å; F392-F461 HydrophobicContact CE1-CZ 4.21Å; F392-F461 HydrophobicContact CE2-CE2 4.29Å; F392-F461 HydrophobicContact CE2-CZ 4.48Å; F392-F461 AromaticContact CZ-CE2 3.93Å; F392-F461 HydrophobicContact CZ-CE2 3.93Å; F392-F461 AromaticContact CZ-CZ 3.96Å; F392-F461 HydrophobicContact CZ-CZ 3.96Å; F392-M463 HydrophobicContact CE2-CE 3.64Å; F392-M463 HydrophobicContact CE2-SD 4.33Å; F392-M463 HydrophobicContact CZ-CE 3.63Å; F392-M463 HydrophobicContact CZ-SD 3.8Å; F392-L476 HydrophobicContact CD1-CD2 4.17Å; F392-L476 HydrophobicContact CE1-CD2 3.58Å; F392-L476 HydrophobicContact CE2-CD2 4.03Å; F392-L476 HydrophobicContact CZ-CD2 3.51Å; F392-I479 HydrophobicContact CE1-CB 4.4Å; F392-I479 HydrophobicContact CE1-CD1 4.32Å; F392-I479 HydrophobicContact CE1-CG2 3.86Å; F392-I479 HydrophobicContact CZ-CD1 4.19Å
393	N	97.9	Very high	96.7	Very high	73 Å²	73	43.6 Å²	43.6	39%	0.39	24%	0.237	S	C	.	.	H	α-helix	trans	-71.4	-8.6	177	-74.1	-36.3	0	0	0	114	E389 E390 I391 C400	E389-N393 WeakPolarHBondContact O-CB 3.48Å; E389-N393 PolarHBondContact O-N 3.35Å; E389-N393 PolarHBondContact O-ND2 3.47Å; E390-N393 PolarHBondContact O-N 2.89Å; I391-N393 VanDerWaalsContact C-N 3.29Å; I391-N393 PolarHBondContact O-N 3.49Å; N393-C400 PolarHBondContact ND2-O 2.9Å; N393-C400 PolarHBondContact OD1-N 3.44Å; N393-C400 PolarHBondContact OD1-O 3.43Å
394	T	97.7	Very high	96.7	Very high	94 Å²	94	40.5 Å²	40.5	58%	0.577	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-11.7	168.8	70.9	0	0	0	0	114	E390 I391 F392 P396	E390-T394 VanDerWaalsContact O-CG2 3.26Å; E390-T394 WeakPolarHBondContact O-CG2 3.41Å; E390-T394 PolarHBondContact O-N 3.32Å; I391-T394 PolarHBondContact O-N 3.11Å; I391-T394 PolarHBondContact O-OG1 3.07Å; F392-T394 PolarHBondContact O-N 3.34Å; T394-P396 WeakPolarHBondContact O-CD 3.35Å
395	V	98	Very high	96.7	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-92.6	117.6	-174.5	-174.4	0	0	0	0	109.7	F392 G397 I398 R480 H483	F392-V395 PolarHBondContact O-N 3.33Å; F392-V395 VanDerWaalsContact O-N 3.07Å; V395-G397 PolarHBondContact O-N 3.32Å; V395-I398 HydrophobicContact CB-CB 4.19Å; V395-I398 HydrophobicContact CB-CD1 4.01Å; V395-I398 HydrophobicContact CB-CG1 4.1Å; V395-I398 HydrophobicContact CG1-CD1 3.8Å; V395-I398 HydrophobicContact CG1-CG1 3.95Å; V395-I398 PolarHBondContact O-N 2.94Å; V395-R480 HydrophobicContact CG1-CG 4.36Å; V395-R480 HydrophobicContact CG2-CB 3.85Å; V395-R480 HydrophobicContact CG2-CG 3.76Å; V395-H483 HydrophobicContact CG1-CB 4.41Å
396	P	97.7	Very high	96.8	Very high	92 Å²	92	39.7 Å²	39.7	60%	0.597	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	129.6	175.4	-25.1	34	0	0	0	111.4	T394 H483	T394-P396 WeakPolarHBondContact O-CD 3.35Å; P396-H483 PolarHBondContact O-CD2 3.36Å; P396-H483 PolarHBondContact O-NE2 2.97Å; P396-H483 VanDerWaalsContact O-NE2 3.12Å
397	G	97.4	Very high	96.8	Very high	31 Å²	31	33.8 Å²	33.8	32%	0.32	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-1.3	-177.6	0	0	0	0	0	114.8	V395 I413 T414	V395-G397 PolarHBondContact O-N 3.32Å; G397-I413 CarbonylContact O-C 3.54Å; G397-I413 WeakPolarHBondContact O-CA 3.24Å; G397-T414 PolarHBondContact O-N 3.36Å
398	I	98.4	Very high	96.8	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.5	171.3	-52.3	-170.8	0	0	0	109.7	F392 V395 P411 R412 I413 H483	F392-I398 HydrophobicContact CB-CG2 3.91Å; F392-I398 HydrophobicContact CD1-CD1 4.45Å; F392-I398 HydrophobicContact CD1-CG2 4.38Å; F392-I398 HydrophobicContact CG-CG2 4.26Å; V395-I398 HydrophobicContact CB-CB 4.19Å; V395-I398 HydrophobicContact CB-CD1 4.01Å; V395-I398 HydrophobicContact CB-CG1 4.1Å; V395-I398 HydrophobicContact CG1-CD1 3.8Å; V395-I398 HydrophobicContact CG1-CG1 3.95Å; V395-I398 PolarHBondContact O-N 2.94Å; I398-P411 HydrophobicContact CG2-CB 3.8Å; I398-R412 WeakPolarHBondContact CA-O 3.21Å; I398-I413 HydrophobicContact CG1-CG2 4.21Å; I398-H483 HydrophobicContact CD1-CB 4.21Å
399	T	98.1	Very high	96.8	Very high	79 Å²	79	32.8 Å²	32.8	49%	0.485	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.6	171.2	-55.2	0	0	0	0	108.8	P411 R412	T399-P411 CarbonylContact O-C 3.55Å; T399-P411 VanDerWaalsContact O-CA 3.3Å; T399-P411 WeakPolarHBondContact O-CA 3.23Å; T399-R412 PolarHBondContact N-O 3.42Å; T399-R412 PolarHBondContact O-N 3.02Å
400	C	97.8	Very high	96.9	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.034	18%	0.181	C	C	.	.			trans	-126.1	120	-178.2	-167.9	0	0	0	0	109.8	F392 N393 P411	F392-C400 HydrophobicContact CB-CB 3.89Å; F392-C400 HydrophobicContact CD2-CB 4.41Å; N393-C400 PolarHBondContact ND2-O 2.9Å; N393-C400 PolarHBondContact OD1-N 3.44Å; N393-C400 PolarHBondContact OD1-O 3.43Å; C400-P411 HydrophobicContact CB-CB 4.1Å
401	N	97	Very high	97.1	Very high	32 Å²	32	26.3 Å²	26.3	17%	0.171	16%	0.161	C	C	.	.			trans	-63.4	158.5	170.9	-84.8	-3.1	0	0	0	112	E205 W209 V403	E205-N401 PolarHBondContact O-ND2 2.88Å; W209-N401 PolarHBondContact NE1-ND2 2.97Å; W209-N401 VanDerWaalsContact NE1-ND2 3.17Å; N401-V403 PolarHBondContact O-N 2.95Å
402	P	95.1	Very high	97.2	Very high	46 Å²	46	28.4 Å²	28.4	30%	0.299	17%	0.166	S	C	.	.			trans	-56.8	134.2	175.7	-25.8	34.9	0	0	0	113.1	E389 Q404	E389-P402 WeakPolarHBondContact OE2-CA 3.23Å; P402-Q404 HydrophobicContact CB-CG 4.37Å; P402-Q404 PolarHBondContact O-N 3.31Å; P402-Q404 VanDerWaalsContact O-N 3.14Å
403	V	93.7	Very high	97.2	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.042	17%	0.166	C	C	.	.			trans	-89.6	81.4	178.9	-173.4	0	0	0	0	108.5	A385 E389 N401 G405 T409	A385-V403 HydrophobicContact CB-CB 3.95Å; A385-V403 HydrophobicContact CB-CG1 3.8Å; E389-V403 HydrophobicContact CB-CG2 4.49Å; E389-V403 PolarHBondContact OE2-N 2.74Å; N401-V403 PolarHBondContact O-N 2.95Å; V403-G405 VanDerWaalsContact C-N 3.29Å; V403-G405 PolarHBondContact O-N 3.29Å; V403-T409 HydrophobicContact CG1-CG2 4.49Å; V403-T409 HydrophobicContact CG2-CG2 3.36Å
404	Q	96.2	Very high	97.2	Very high	30 Å²	30	29.2 Å²	29.2	14%	0.14	17%	0.174	C	C	.	.			trans	-69.9	-25.2	-173.9	-61.7	172.8	-29.5	0	0	113.3	G242 Q243 V244 Y275 A276 P402	G242-Q404 CarbonylContact O-C 3.49Å; G242-Q404 WeakPolarHBondContact O-CA 3.5Å; G242-Q404 PolarHBondContact O-N 2.78Å; Q243-Q404 VanDerWaalsContact CA-OE1 3.28Å; V244-Q404 HydrophobicContact CB-CB 4.11Å; V244-Q404 HydrophobicContact CG2-CB 3.72Å; V244-Q404 PolarHBondContact O-OE1 2.75Å; Y275-Q404 PolarHBondContact N-O 3.06Å; A276-Q404 HydrophobicContact CB-CB 3.89Å; A276-Q404 HydrophobicContact CB-CG 3.81Å; A276-Q404 PolarHBondContact N-O 3.15Å; P402-Q404 HydrophobicContact CB-CG 4.37Å; P402-Q404 PolarHBondContact O-N 3.31Å; P402-Q404 VanDerWaalsContact O-N 3.14Å
405	G	96.3	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-167.8	-160	-178.2	0	0	0	0	0	114.1	G242 N273 V403	G242-G405 PolarHBondContact O-N 3.1Å; N273-G405 CarbonylContact O-C 3.51Å; N273-G405 WeakPolarHBondContact O-CA 3.49Å; V403-G405 VanDerWaalsContact C-N 3.29Å; V403-G405 PolarHBondContact O-N 3.29Å
406	A	96.6	Very high	97.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-139.4	-178.6	0	0	0	0	0	113.7	P237 G238 Y270 N273 Y275	P237-A406 HydrophobicContact CB-CB 4.35Å; G238-A406 WeakPolarHBondContact O-CB 3.28Å; Y270-A406 HydrophobicContact CD1-CB 3.76Å; Y270-A406 HydrophobicContact CD2-CB 3.91Å; Y270-A406 HydrophobicContact CE1-CB 4.16Å; Y270-A406 HydrophobicContact CE2-CB 4.36Å; Y270-A406 HydrophobicContact CG-CB 3.62Å; N273-A406 PolarHBondContact ND2-O 2.92Å; N273-A406 PolarHBondContact O-N 3.35Å; Y275-A406 WeakPolarHBondContact CE2-O 3.36Å; Y275-A406 PolarHBondContact OH-O 2.96Å
407	M	95.4	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	19.7	-176	-62.3	-168.3	-68.9	0	0	113.1	Y270 N273 K309 T464 I465 L466	Y270-M407 HydrophobicContact CD1-CG 4.47Å; Y270-M407 HydrophobicContact CE1-CB 4.37Å; Y270-M407 HydrophobicContact CE1-CE 3.67Å; Y270-M407 HydrophobicContact CE1-CG 3.95Å; N273-M407 VanDerWaalsContact ND2-CG 3.35Å; N273-M407 WeakPolarHBondContact ND2-CG 3.47Å; K309-M407 HydrophobicContact CD-CE 3.73Å; M407-T464 WeakPolarHBondContact O-CA 3.34Å; M407-T464 PolarHBondContact O-OG1 3.25Å; M407-I465 PolarHBondContact O-N 3.38Å; M407-I465 VanDerWaalsContact O-N 3.1Å; M407-L466 HydrophobicContact CE-CD1 4.42Å; M407-L466 HydrophobicContact SD-CD1 4.22Å; M407-L466 HydrophobicContact SD-CD2 3.6Å; M407-L466 HydrophobicContact SD-CG 4.11Å
408	Y	97.1	Very high	97.1	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.9	-168.5	-52.3	-64.4	0	0	0	111.7	G64 N239 P240 Y270 R462 M463	G64-Y408 VanDerWaalsContact CA-OH 3.23Å; G64-Y408 WeakPolarHBondContact CA-OH 3.46Å; G64-Y408 PolarHBondContact N-OH 3.38Å; N239-Y408 HydrophobicContact CB-CD2 4.01Å; N239-Y408 HydrophobicContact CB-CE2 4Å; N239-Y408 WeakPolarHBondContact OD1-CD2 3.14Å; N239-Y408 VanDerWaalsContact OD1-CE2 3.31Å; N239-Y408 WeakPolarHBondContact OD1-CE2 3.37Å; P240-Y408 WeakPolarHBondContact O-CB 3.18Å; Y270-Y408 HydrophobicContact CE1-CE2 4.5Å; Y270-Y408 HydrophobicContact CE2-CE2 4.23Å; Y270-Y408 AromaticContact CZ-CE2 3.71Å; Y270-Y408 WeakPolarHBondContact OH-CE2 3.36Å; Y270-Y408 PolarHBondContact OH-OH 2.92Å; Y408-R462 HydrophobicContact CD1-CG 4.14Å; Y408-R462 HydrophobicContact CG-CG 4.21Å; Y408-M463 VanDerWaalsContact CA-O 3.29Å; Y408-M463 WeakPolarHBondContact CA-O 3.33Å
409	T	96.9	Very high	97.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.4	163.3	67.4	0	0	0	0	108.8	T388 V403 P411 R462 M463 I465	T388-T409 HydrophobicContact CG2-CG2 3.39Å; V403-T409 HydrophobicContact CG1-CG2 4.49Å; V403-T409 HydrophobicContact CG2-CG2 3.36Å; T409-P411 VanDerWaalsContact C-CD 3.41Å; T409-R462 WeakPolarHBondContact O-CA 3.49Å; T409-M463 PolarHBondContact N-O 3.4Å; T409-M463 PolarHBondContact O-N 3.2Å; T409-M463 VanDerWaalsContact O-N 3.09Å; T409-I465 HydrophobicContact CG2-CG2 3.89Å
410	F	98.4	Very high	97.1	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.022	15%	0.148	C	C	.	.			trans	-130.7	62.2	177.7	-159.1	-112.3	0	0	0	110.6	P182 W209 P240 T241 F452 H460 F461 R462	P182-F410 HydrophobicContact CB-CD1 4.45Å; P182-F410 HydrophobicContact CB-CE1 3.86Å; P182-F410 HydrophobicContact CB-CZ 4.03Å; P182-F410 HydrophobicContact CG-CD1 3.83Å; P182-F410 HydrophobicContact CG-CE1 3.29Å; P182-F410 HydrophobicContact CG-CZ 3.95Å; W209-F410 HydrophobicContact CH2-CD1 4.36Å; W209-F410 AromaticContact CZ2-CD1 3.94Å; W209-F410 HydrophobicContact CZ2-CD1 3.94Å; P240-F410 HydrophobicContact CB-CB 4.34Å; P240-F410 HydrophobicContact CB-CD2 3.58Å; P240-F410 HydrophobicContact CB-CE2 4.06Å; P240-F410 HydrophobicContact CB-CG 4.1Å; P240-F410 HydrophobicContact CG-CB 4.42Å; P240-F410 HydrophobicContact CG-CD1 4.3Å; P240-F410 HydrophobicContact CG-CD2 3.52Å; P240-F410 HydrophobicContact CG-CE1 4.43Å; P240-F410 HydrophobicContact CG-CE2 3.68Å; P240-F410 HydrophobicContact CG-CG 3.83Å; P240-F410 HydrophobicContact CG-CZ 4.12Å; T241-F410 HydrophobicContact CG2-CB 4.49Å; T241-F410 HydrophobicContact CG2-CD1 4.33Å; F410-F452 HydrophobicContact CE2-CB 4.34Å; F410-F452 AromaticContact CE2-CD2 3.63Å; F410-F452 HydrophobicContact CE2-CD2 3.63Å; F410-F452 HydrophobicContact CE2-CE2 4.17Å; F410-F452 HydrophobicContact CE2-CG 4.1Å; F410-F452 HydrophobicContact CZ-CB 4.23Å; F410-F452 HydrophobicContact CZ-CD2 4.22Å; F410-F452 HydrophobicContact CZ-CG 4.48Å; F410-H460 HydrophobicContact CD1-CB 3.86Å; F410-H460 AromaticContact CD1-CD2 3.71Å; F410-H460 AromaticContact CD1-CG 3.84Å; F410-H460 HydrophobicContact CD2-CB 4.36Å; F410-H460 HydrophobicContact CE1-CB 3.38Å; F410-H460 AromaticContact CE1-CD2 3.72Å; F410-H460 AromaticContact CE1-CG 3.4Å; F410-H460 VanDerWaalsContact CE1-CG 3.4Å; F410-H460 AromaticContact CE1-ND1 3.91Å; F410-H460 HydrophobicContact CE2-CB 3.96Å; F410-H460 HydrophobicContact CG-CB 4.34Å; F410-H460 HydrophobicContact CZ-CB 3.47Å; F410-H460 VanDerWaalsContact CZ-CB 3.47Å; F410-H460 AromaticContact CZ-CG 3.99Å; F410-F461 WeakPolarHBondContact CA-O 3.33Å; F410-R462 HydrophobicContact CD2-CB 3.92Å; F410-R462 HydrophobicContact CE2-CB 4.26Å
411	P	98.3	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-62.3	141.6	-179.4	26.6	-37.3	0	0	0	111.6	F392 I398 T399 C400 T409 H460 F461	F392-P411 HydrophobicContact CD2-CB 4.26Å; F392-P411 HydrophobicContact CD2-CG 4.09Å; F392-P411 HydrophobicContact CE2-CG 3.97Å; I398-P411 HydrophobicContact CG2-CB 3.8Å; T399-P411 CarbonylContact O-C 3.55Å; T399-P411 VanDerWaalsContact O-CA 3.3Å; T399-P411 WeakPolarHBondContact O-CA 3.23Å; C400-P411 HydrophobicContact CB-CB 4.1Å; T409-P411 VanDerWaalsContact C-CD 3.41Å; P411-H460 VanDerWaalsContact O-CA 3.27Å; P411-H460 WeakPolarHBondContact O-CA 3.32Å; P411-H460 WeakPolarHBondContact O-CB 3.32Å; P411-F461 HydrophobicContact CB-CZ 4.36Å; P411-F461 VanDerWaalsContact CD-O 3.25Å; P411-F461 WeakPolarHBondContact CD-O 3.25Å; P411-F461 HydrophobicContact CG-CD1 4.36Å; P411-F461 HydrophobicContact CG-CD2 3.81Å; P411-F461 HydrophobicContact CG-CE1 3.91Å; P411-F461 HydrophobicContact CG-CE2 3.3Å; P411-F461 HydrophobicContact CG-CG 4.33Å; P411-F461 HydrophobicContact CG-CZ 3.36Å; P411-F461 PolarHBondContact O-N 3.44Å
412	R	98.6	Very high	97.1	Very high	85 Å²	85	35.2 Å²	35.2	32%	0.321	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.6	167	-178	168.4	169.4	179.8	-6.8	110	E205 I398 T399 F459 H460	E205-R412 VanDerWaalsContact OE1-CB 3.27Å; E205-R412 WeakPolarHBondContact OE1-CB 3.33Å; E205-R412 WeakPolarHBondContact OE1-CD 3.4Å; E205-R412 WeakPolarHBondContact OE2-CD 3.27Å; E205-R412 IonicContact OE2-NH1 3.59Å; E205-R412 PolarHBondContact OE2-NH1 2.87Å; E205-R412 VanDerWaalsContact OE2-NH1 3.12Å; I398-R412 WeakPolarHBondContact CA-O 3.21Å; T399-R412 PolarHBondContact N-O 3.42Å; T399-R412 PolarHBondContact O-N 3.02Å; R412-F459 WeakPolarHBondContact CA-O 3.45Å; R412-H460 VanDerWaalsContact CA-CD2 3.43Å; R412-H460 WeakPolarHBondContact CA-CD2 3.41Å
413	I	98.4	Very high	97.2	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.4	175.1	60.9	179.1	0	0	0	110.5	G397 I398 L415 Y434 F459 F461	G397-I413 CarbonylContact O-C 3.54Å; G397-I413 WeakPolarHBondContact O-CA 3.24Å; I398-I413 HydrophobicContact CG1-CG2 4.21Å; I413-L415 HydrophobicContact CD1-CD1 4.31Å; I413-L415 HydrophobicContact CD1-CD2 3.75Å; I413-L415 HydrophobicContact CD1-CG 4.12Å; I413-L415 HydrophobicContact CG1-CD2 4.14Å; I413-L415 HydrophobicContact CG1-CG 4.14Å; I413-Y434 HydrophobicContact CD1-CD1 3.63Å; I413-Y434 HydrophobicContact CD1-CD2 4.15Å; I413-Y434 HydrophobicContact CD1-CE1 3.92Å; I413-Y434 HydrophobicContact CD1-CE2 4.38Å; I413-Y434 HydrophobicContact CD1-CG 3.76Å; I413-F459 HydrophobicContact CG1-CB 3.87Å; I413-F459 WeakPolarHBondContact CG1-O 3.14Å; I413-F459 PolarHBondContact N-O 3.02Å; I413-F461 HydrophobicContact CD1-CD1 4.36Å; I413-F461 HydrophobicContact CG2-CD1 3.9Å; I413-F461 HydrophobicContact CG2-CE1 3.57Å
414	T	97.8	Very high	97.3	Very high	90 Å²	90	39.1 Å²	39.1	55%	0.552	19%	0.194	S	C	*	.			trans	-89.9	109.6	170.1	-61.1	0	0	0	0	108.2	G397	G397-T414 PolarHBondContact O-N 3.36Å
415	L	97.2	Very high	97.3	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.058	22%	0.222	C	C	.	.			trans	-94.1	134.3	178.9	-63.8	179.7	0	0	0	110.6	I413 I420 P430 Y434 F459 F486	I413-L415 HydrophobicContact CD1-CD1 4.31Å; I413-L415 HydrophobicContact CD1-CD2 3.75Å; I413-L415 HydrophobicContact CD1-CG 4.12Å; I413-L415 HydrophobicContact CG1-CD2 4.14Å; I413-L415 HydrophobicContact CG1-CG 4.14Å; L415-I420 HydrophobicContact CB-CD1 4.33Å; L415-I420 HydrophobicContact CB-CG1 4.01Å; L415-P430 HydrophobicContact CD1-CB 3.6Å; L415-Y434 HydrophobicContact CD2-CD2 3.71Å; L415-Y434 HydrophobicContact CD2-CE2 4.31Å; L415-Y434 HydrophobicContact CD2-CG 4.25Å; L415-F459 HydrophobicContact CB-CD2 4.32Å; L415-F459 HydrophobicContact CD1-CB 4.1Å; L415-F459 HydrophobicContact CD1-CD2 3.91Å; L415-F459 HydrophobicContact CD1-CG 3.9Å; L415-F459 HydrophobicContact CG-CB 4.48Å; L415-F459 HydrophobicContact CG-CD2 4.17Å; L415-F459 HydrophobicContact CG-CG 4.48Å; L415-F486 HydrophobicContact CD2-CE1 3.97Å
416	P	97.1	Very high	97.3	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	24%	0.239	C	C	.	.			trans	-60.1	148.4	174.3	-24.3	33.7	0	0	0	112.3	K418 A419 I420 T487 F490	P416-K418 VanDerWaalsContact C-N 3.26Å; P416-K418 PolarHBondContact O-N 2.87Å; P416-A419 WeakPolarHBondContact O-CB 3.39Å; P416-A419 PolarHBondContact O-N 2.99Å; P416-I420 PolarHBondContact O-N 2.84Å; P416-T487 HydrophobicContact CG-CG2 4.27Å; P416-F490 HydrophobicContact CB-CB 3.98Å; P416-F490 WeakPolarHBondContact CB-O 3.19Å; P416-F490 HydrophobicContact CG-CB 4.08Å
417	P	97.2	Very high	97.2	Very high	96 Å²	96	49.1 Å²	49.1	62%	0.623	28%	0.276	S	S	*	.	H	α-helix	trans	-53.3	-40.3	178.8	-28.5	35.7	0	0	0	113.7	A419 I420 D421	P417-A419 VanDerWaalsContact C-N 3.3Å; P417-A419 PolarHBondContact O-N 3.25Å; P417-I420 WeakPolarHBondContact O-CB 3.27Å; P417-I420 PolarHBondContact O-N 3.35Å; P417-I420 VanDerWaalsContact O-N 3.13Å; P417-D421 PolarHBondContact O-N 2.58Å
418	K	97.9	Very high	97.2	Very high	120 Å²	120	53 Å²	53	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-34.1	178.2	-59.2	178.1	-177	163.2	0	112.6	P416 K422 F490 S491	P416-K418 VanDerWaalsContact C-N 3.26Å; P416-K418 PolarHBondContact O-N 2.87Å; K418-K422 WeakPolarHBondContact O-CB 3.15Å; K418-K422 PolarHBondContact O-N 2.91Å; K418-F490 HydrophobicContact CB-CB 4.29Å; K418-F490 HydrophobicContact CB-CD1 4.21Å; K418-F490 WeakPolarHBondContact CB-O 3.45Å; K418-S491 PolarHBondContact NZ-O 2.62Å
419	A	97.8	Very high	97.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-41.1	174.9	0	0	0	0	0	111.1	P416 P417 K422 A423 F486 F490	P416-A419 WeakPolarHBondContact O-CB 3.39Å; P416-A419 PolarHBondContact O-N 2.99Å; P417-A419 VanDerWaalsContact C-N 3.3Å; P417-A419 PolarHBondContact O-N 3.25Å; A419-K422 PolarHBondContact O-N 2.96Å; A419-A423 WeakPolarHBondContact O-CB 3.25Å; A419-A423 PolarHBondContact O-N 2.98Å; A419-F486 HydrophobicContact CB-CE1 3.67Å; A419-F486 HydrophobicContact CB-CZ 3.83Å; A419-F490 HydrophobicContact CB-CB 3.75Å; A419-F490 HydrophobicContact CB-CD1 4Å; A419-F490 HydrophobicContact CB-CD2 3.89Å; A419-F490 HydrophobicContact CB-CG 3.61Å
420	I	97.6	Very high	97.2	Very high	31 Å²	31	56.9 Å²	56.9	16%	0.159	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-46.9	176.9	-63.5	169.2	0	0	0	110.2	L415 P416 P417 A423 K424 P430 F459	L415-I420 HydrophobicContact CB-CD1 4.33Å; L415-I420 HydrophobicContact CB-CG1 4.01Å; P416-I420 PolarHBondContact O-N 2.84Å; P417-I420 WeakPolarHBondContact O-CB 3.27Å; P417-I420 PolarHBondContact O-N 3.35Å; P417-I420 VanDerWaalsContact O-N 3.13Å; I420-A423 PolarHBondContact O-N 3.17Å; I420-K424 HydrophobicContact CG2-CD 4.32Å; I420-K424 WeakPolarHBondContact O-CG 3.48Å; I420-K424 PolarHBondContact O-N 3.41Å; I420-P430 HydrophobicContact CB-CG 4.39Å; I420-P430 HydrophobicContact CG1-CB 4.29Å; I420-P430 HydrophobicContact CG1-CG 4.33Å; I420-P430 HydrophobicContact CG2-CG 3.97Å; I420-F459 HydrophobicContact CD1-CE2 3.77Å; I420-F459 HydrophobicContact CD1-CZ 4.3Å; I420-F459 HydrophobicContact CG1-CE2 4.14Å; I420-F459 HydrophobicContact CG1-CZ 4.4Å
421	D	97.6	Very high	97.1	Very high	94 Å²	94	56.6 Å²	56.6	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-38.8	179.5	-67.8	-22	0	0	0	111.6	P417 K424 A425	P417-D421 PolarHBondContact O-N 2.58Å; D421-K424 PolarHBondContact O-N 3.45Å; D421-A425 WeakPolarHBondContact O-CB 3.49Å; D421-A425 PolarHBondContact O-N 3Å
422	K	97.6	Very high	97.1	Very high	99 Å²	99	58.6 Å²	58.6	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-45.1	173.7	-177.5	62.5	176.3	173	0	111.8	K418 A419 K424 A425 E426 F433 F490	K418-K422 WeakPolarHBondContact O-CB 3.15Å; K418-K422 PolarHBondContact O-N 2.91Å; A419-K422 PolarHBondContact O-N 2.96Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-K424 PolarHBondContact O-N 3.17Å; K422-A425 PolarHBondContact O-N 3.18Å; K422-E426 WeakPolarHBondContact CE-OE1 3.36Å; K422-E426 IonicContact NZ-OE1 2.78Å; K422-E426 PolarHBondContact O-N 3.2Å; K422-E426 VanDerWaalsContact O-N 3.14Å; K422-F433 HydrophobicContact CG-CE1 4.45Å; K422-F433 HydrophobicContact CG-CE2 4.35Å; K422-F433 HydrophobicContact CG-CZ 3.88Å; K422-F490 HydrophobicContact CB-CE1 4Å; K422-F490 HydrophobicContact CG-CE1 4.04Å; K422-F490 HydrophobicContact CG-CZ 4.47Å
423	A	97.2	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-45	176.6	0	0	0	0	0	111.5	A419 I420 A425 E426 G427 K428 P430 F433	A419-A423 WeakPolarHBondContact O-CB 3.25Å; A419-A423 PolarHBondContact O-N 2.98Å; I420-A423 PolarHBondContact O-N 3.17Å; A423-A425 PolarHBondContact O-N 3.19Å; A423-E426 CarbonylContact O-C 3.54Å; A423-E426 PolarHBondContact O-N 3.32Å; A423-E426 VanDerWaalsContact O-N 3.13Å; A423-G427 PolarHBondContact O-N 3.01Å; A423-K428 CarbonylContact C-O 3.53Å; A423-K428 VanDerWaalsContact C-O 3.31Å; A423-K428 PolarHBondContact O-N 3.25Å; A423-K428 VanDerWaalsContact O-O 3.13Å; A423-P430 HydrophobicContact CB-CB 4.32Å; A423-P430 HydrophobicContact CB-CG 4.28Å; A423-F433 HydrophobicContact CB-CB 3.62Å; A423-F433 HydrophobicContact CB-CD1 4.14Å; A423-F433 HydrophobicContact CB-CG 3.86Å
424	K	95.6	Very high	97	Very high	135 Å²	135	54.7 Å²	54.7	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-60.4	-43.5	175.3	-72.2	173	-176.6	170.2	0	112.2	I420 D421 K422 E426 G427	I420-K424 HydrophobicContact CG2-CD 4.32Å; I420-K424 WeakPolarHBondContact O-CG 3.48Å; I420-K424 PolarHBondContact O-N 3.41Å; D421-K424 PolarHBondContact O-N 3.45Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-K424 PolarHBondContact O-N 3.17Å; K424-E426 PolarHBondContact O-N 2.97Å; K424-G427 PolarHBondContact O-N 3.43Å
425	A	97	Very high	97.1	Very high	88 Å²	88	50.4 Å²	50.4	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-62.5	-26	177.1	0	0	0	0	0	112.9	D421 K422 A423	D421-A425 WeakPolarHBondContact O-CB 3.49Å; D421-A425 PolarHBondContact O-N 3Å; K422-A425 PolarHBondContact O-N 3.18Å; A423-A425 PolarHBondContact O-N 3.19Å
426	E	95.9	Very high	97.1	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.36	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.2	173.2	-67.9	-173.7	-164.9	0	0	113.8	K422 A423 K424 K428	K422-E426 WeakPolarHBondContact CE-OE1 3.36Å; K422-E426 IonicContact NZ-OE1 2.78Å; K422-E426 PolarHBondContact O-N 3.2Å; K422-E426 VanDerWaalsContact O-N 3.14Å; A423-E426 CarbonylContact O-C 3.54Å; A423-E426 PolarHBondContact O-N 3.32Å; A423-E426 VanDerWaalsContact O-N 3.13Å; K424-E426 PolarHBondContact O-N 2.97Å; E426-K428 VanDerWaalsContact C-N 3.26Å; E426-K428 HydrophobicContact CB-CD 4.19Å; E426-K428 HydrophobicContact CB-CG 4.33Å; E426-K428 PolarHBondContact O-N 3.13Å; E426-K428 IonicContact OE2-NZ 3.8Å; E426-K428 PolarHBondContact OE2-NZ 3.36Å
427	G	95.1	Very high	97.1	Very high	75 Å²	75	53.7 Å²	53.7	77%	0.773	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	25.6	-176.5	0	0	0	0	0	113.7	A423 K424	A423-G427 PolarHBondContact O-N 3.01Å; K424-G427 PolarHBondContact O-N 3.43Å
428	K	94.3	Very high	97.2	Very high	81 Å²	81	49.1 Å²	49.1	35%	0.352	27%	0.268	S	S	.	.			trans	-111.3	148.5	-178.7	-67.3	172.6	-174.5	161.9	0	111.4	A423 E426 F433	A423-K428 CarbonylContact C-O 3.53Å; A423-K428 VanDerWaalsContact C-O 3.31Å; A423-K428 PolarHBondContact O-N 3.25Å; A423-K428 VanDerWaalsContact O-O 3.13Å; E426-K428 VanDerWaalsContact C-N 3.26Å; E426-K428 HydrophobicContact CB-CD 4.19Å; E426-K428 HydrophobicContact CB-CG 4.33Å; E426-K428 PolarHBondContact O-N 3.13Å; E426-K428 IonicContact OE2-NZ 3.8Å; E426-K428 PolarHBondContact OE2-NZ 3.36Å; K428-F433 HydrophobicContact CB-CB 4.31Å; K428-F433 HydrophobicContact CD-CB 4.44Å; K428-F433 HydrophobicContact CD-CD2 4.15Å
429	V	95.8	Very high	97.2	Very high	73 Å²	73	43.4 Å²	43.4	44%	0.442	24%	0.243	S	C	.	.			trans	-68.3	139.7	166	-169.9	0	0	0	0	108.8	D431 M432 F433	V429-D431 VanDerWaalsContact C-N 3.34Å; V429-D431 VanDerWaalsContact CG1-OD1 3.3Å; V429-D431 WeakPolarHBondContact CG1-OD1 3.25Å; V429-D431 PolarHBondContact O-N 3.43Å; V429-M432 HydrophobicContact CB-CB 4.3Å; V429-M432 WeakPolarHBondContact O-CB 3.14Å; V429-M432 PolarHBondContact O-N 3.32Å; V429-M432 VanDerWaalsContact O-N 3.12Å; V429-F433 PolarHBondContact O-N 3.45Å
430	P	97.9	Very high	97.2	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-39.1	-173.4	-30.6	37.5	0	0	0	115.6	L415 I420 A423 F433 Y434 F459	L415-P430 HydrophobicContact CD1-CB 3.6Å; I420-P430 HydrophobicContact CB-CG 4.39Å; I420-P430 HydrophobicContact CG1-CB 4.29Å; I420-P430 HydrophobicContact CG1-CG 4.33Å; I420-P430 HydrophobicContact CG2-CG 3.97Å; A423-P430 HydrophobicContact CB-CB 4.32Å; A423-P430 HydrophobicContact CB-CG 4.28Å; P430-F433 WeakPolarHBondContact O-CB 3.48Å; P430-F433 PolarHBondContact O-N 3.28Å; P430-Y434 PolarHBondContact O-N 3.02Å; P430-F459 HydrophobicContact CB-CD1 3.91Å; P430-F459 HydrophobicContact CB-CE1 3.61Å; P430-F459 HydrophobicContact CB-CE2 4.43Å; P430-F459 HydrophobicContact CB-CG 4.46Å; P430-F459 HydrophobicContact CB-CZ 3.89Å; P430-F459 HydrophobicContact CG-CD1 4.32Å; P430-F459 HydrophobicContact CG-CE1 3.54Å; P430-F459 HydrophobicContact CG-CZ 3.71Å
431	D	97.8	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71.1	-35.2	176.8	56.4	11.1	0	0	0	113.3	V429 F433 Y434 C435 P448 G449 S450 Q454 F459 H460	V429-D431 VanDerWaalsContact C-N 3.34Å; V429-D431 VanDerWaalsContact CG1-OD1 3.3Å; V429-D431 WeakPolarHBondContact CG1-OD1 3.25Å; V429-D431 PolarHBondContact O-N 3.43Å; D431-F433 VanDerWaalsContact C-N 3.33Å; D431-Y434 PolarHBondContact O-N 3.3Å; D431-C435 WeakPolarHBondContact O-CB 3.28Å; D431-C435 PolarHBondContact O-N 3.46Å; D431-C435 PolarHBondContact O-SG 2.94Å; D431-C435 VanDerWaalsContact O-SG 3.37Å; D431-P448 HydrophobicContact CB-CB 4.09Å; D431-G449 WeakPolarHBondContact OD2-CA 3.4Å; D431-G449 PolarHBondContact OD2-N 3.26Å; D431-S450 VanDerWaalsContact OD1-CB 3.28Å; D431-S450 WeakPolarHBondContact OD1-CB 3.42Å; D431-S450 PolarHBondContact OD1-OG 3.35Å; D431-S450 PolarHBondContact OD2-N 3.39Å; D431-S450 PolarHBondContact OD2-OG 3.25Å; D431-Q454 PolarHBondContact OD2-NE2 3.35Å; D431-F459 HydrophobicContact CB-CB 4.32Å; D431-F459 HydrophobicContact CB-CD1 4.48Å; D431-H460 WeakPolarHBondContact CB-O 3.47Å
432	M	97.1	Very high	97.2	Very high	42 Å²	42	44.2 Å²	44.2	21%	0.207	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-42.9	170.8	175.2	63.3	74.5	0	0	110.6	I36 V429 M436 P448	I36-M432 HydrophobicContact CD1-SD 3.65Å; I36-M432 HydrophobicContact CG1-CE 4.32Å; I36-M432 HydrophobicContact CG1-SD 3.5Å; I36-M432 VanDerWaalsContact CG1-SD 3.5Å; V429-M432 HydrophobicContact CB-CB 4.3Å; V429-M432 WeakPolarHBondContact O-CB 3.14Å; V429-M432 PolarHBondContact O-N 3.32Å; V429-M432 VanDerWaalsContact O-N 3.12Å; M432-M436 VanDerWaalsContact O-CB 3.24Å; M432-M436 WeakPolarHBondContact O-CB 3.45Å; M432-M436 PolarHBondContact O-N 3.4Å; M432-P448 HydrophobicContact CB-CB 4.48Å; M432-P448 HydrophobicContact CB-CG 4.4Å; M432-P448 HydrophobicContact CE-CG 3.7Å; M432-P448 HydrophobicContact SD-CG 4.18Å
433	F	98	Very high	97.2	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-48.8	174.8	176.5	-103.1	0	0	0	111.4	K422 A423 K428 V429 P430 D431 M436 K437 F486 F490	K422-F433 HydrophobicContact CG-CE1 4.45Å; K422-F433 HydrophobicContact CG-CE2 4.35Å; K422-F433 HydrophobicContact CG-CZ 3.88Å; A423-F433 HydrophobicContact CB-CB 3.62Å; A423-F433 HydrophobicContact CB-CD1 4.14Å; A423-F433 HydrophobicContact CB-CG 3.86Å; K428-F433 HydrophobicContact CB-CB 4.31Å; K428-F433 HydrophobicContact CD-CB 4.44Å; K428-F433 HydrophobicContact CD-CD2 4.15Å; V429-F433 PolarHBondContact O-N 3.45Å; P430-F433 WeakPolarHBondContact O-CB 3.48Å; P430-F433 PolarHBondContact O-N 3.28Å; D431-F433 VanDerWaalsContact C-N 3.33Å; F433-M436 PolarHBondContact O-N 3.2Å; F433-K437 HydrophobicContact CE1-CG 4.32Å; F433-K437 HydrophobicContact CE2-CG 4.26Å; F433-K437 HydrophobicContact CZ-CG 4.11Å; F433-K437 WeakPolarHBondContact O-CB 3.49Å; F433-K437 WeakPolarHBondContact O-CG 3.37Å; F433-K437 PolarHBondContact O-N 2.94Å; F433-F486 HydrophobicContact CD1-CE2 4.18Å; F433-F486 AromaticContact CD1-CZ 3.95Å; F433-F486 HydrophobicContact CD1-CZ 3.95Å; F433-F486 AromaticContact CE1-CE2 3.77Å; F433-F486 HydrophobicContact CE1-CE2 3.77Å; F433-F486 AromaticContact CE1-CZ 3.75Å; F433-F486 HydrophobicContact CE1-CZ 3.75Å; F433-F490 HydrophobicContact CE1-CE2 4.18Å; F433-F490 AromaticContact CE1-CZ 3.92Å; F433-F490 HydrophobicContact CE1-CZ 3.92Å; F433-F490 HydrophobicContact CZ-CZ 4.02Å
434	Y	98.5	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-51.7	176.4	179	-90.2	0	0	0	112.3	I413 L415 P430 D431 M436 K437 L438 F461 F482 H483 F486	I413-Y434 HydrophobicContact CD1-CD1 3.63Å; I413-Y434 HydrophobicContact CD1-CD2 4.15Å; I413-Y434 HydrophobicContact CD1-CE1 3.92Å; I413-Y434 HydrophobicContact CD1-CE2 4.38Å; I413-Y434 HydrophobicContact CD1-CG 3.76Å; L415-Y434 HydrophobicContact CD2-CD2 3.71Å; L415-Y434 HydrophobicContact CD2-CE2 4.31Å; L415-Y434 HydrophobicContact CD2-CG 4.25Å; P430-Y434 PolarHBondContact O-N 3.02Å; D431-Y434 PolarHBondContact O-N 3.3Å; Y434-M436 VanDerWaalsContact C-N 3.34Å; Y434-M436 PolarHBondContact O-N 2.63Å; Y434-K437 PolarHBondContact O-N 2.9Å; Y434-L438 PolarHBondContact O-N 3.37Å; Y434-F461 HydrophobicContact CE1-CD1 4.12Å; Y434-F461 HydrophobicContact CE1-CE1 4.18Å; Y434-F482 HydrophobicContact CD1-CE1 4.46Å; Y434-F482 AromaticContact CD2-CE1 3.92Å; Y434-F482 HydrophobicContact CD2-CE1 3.92Å; Y434-F482 HydrophobicContact CE1-CE1 4.08Å; Y434-F482 HydrophobicContact CE2-CD1 4.15Å; Y434-F482 AromaticContact CE2-CE1 3.51Å; Y434-F482 HydrophobicContact CE2-CE1 3.51Å; Y434-F482 HydrophobicContact CE2-CZ 4.47Å; Y434-F482 HydrophobicContact CG-CE1 4.39Å; Y434-F482 AromaticContact CZ-CD1 3.94Å; Y434-F482 AromaticContact CZ-CE1 3.59Å; Y434-H483 AromaticContact CE2-ND1 3.69Å; Y434-H483 AromaticContact CZ-ND1 3.69Å; Y434-H483 WeakPolarHBondContact OH-CB 3.47Å; Y434-H483 PolarHBondContact OH-ND1 2.72Å; Y434-F486 AromaticContact CD2-CD1 3.83Å; Y434-F486 HydrophobicContact CD2-CD1 3.83Å; Y434-F486 HydrophobicContact CD2-CD2 4.38Å; Y434-F486 AromaticContact CD2-CE1 3.8Å; Y434-F486 HydrophobicContact CD2-CE1 3.8Å; Y434-F486 HydrophobicContact CD2-CE2 4.32Å; Y434-F486 HydrophobicContact CD2-CG 4.13Å; Y434-F486 HydrophobicContact CD2-CZ 4.04Å; Y434-F486 HydrophobicContact CE2-CD1 4.02Å; Y434-F486 HydrophobicContact CE2-CE1 4.43Å; Y434-F486 HydrophobicContact CE2-CG 4.22Å
435	C	98.2	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-33.9	-179	-69.9	0	0	0	0	112.8	I36 D431 L439 P448	I36-C435 HydrophobicContact CD1-CB 3.39Å; D431-C435 WeakPolarHBondContact O-CB 3.28Å; D431-C435 PolarHBondContact O-N 3.46Å; D431-C435 PolarHBondContact O-SG 2.94Å; D431-C435 VanDerWaalsContact O-SG 3.37Å; C435-L439 PolarHBondContact O-N 3.39Å; C435-P448 HydrophobicContact CB-CB 4.39Å
436	M	97.9	Very high	97.2	Very high	38 Å²	38	28.9 Å²	28.9	19%	0.187	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-42.8	175.5	-171.3	65	76.1	0	0	111.4	I36 R39 M432 F433 Y434 L439 E440	I36-M436 HydrophobicContact CG1-CE 3.98Å; R39-M436 HydrophobicContact CB-CE 4.41Å; R39-M436 HydrophobicContact CB-SD 4.12Å; R39-M436 HydrophobicContact CG-SD 3.93Å; M432-M436 VanDerWaalsContact O-CB 3.24Å; M432-M436 WeakPolarHBondContact O-CB 3.45Å; M432-M436 PolarHBondContact O-N 3.4Å; F433-M436 PolarHBondContact O-N 3.2Å; Y434-M436 VanDerWaalsContact C-N 3.34Å; Y434-M436 PolarHBondContact O-N 2.63Å; M436-L439 WeakPolarHBondContact O-CB 3.38Å; M436-L439 PolarHBondContact O-N 2.67Å; M436-L439 HydrophobicContact SD-CD2 4.31Å; M436-E440 WeakPolarHBondContact O-CG 3.33Å; M436-E440 PolarHBondContact O-N 3.38Å
437	K	97.9	Very high	97.3	Very high	61 Å²	61	25.3 Å²	25.3	27%	0.265	14%	0.143	S	C	.	.	H	α-helix	trans	-59.6	-46.6	174.1	-80.8	-79.5	-164.1	156.1	0	111.6	F433 Y434 L439 E440 E441 F482 F486	F433-K437 HydrophobicContact CE1-CG 4.32Å; F433-K437 HydrophobicContact CE2-CG 4.26Å; F433-K437 HydrophobicContact CZ-CG 4.11Å; F433-K437 WeakPolarHBondContact O-CB 3.49Å; F433-K437 WeakPolarHBondContact O-CG 3.37Å; F433-K437 PolarHBondContact O-N 2.94Å; Y434-K437 PolarHBondContact O-N 2.9Å; K437-L439 VanDerWaalsContact C-N 3.29Å; K437-L439 PolarHBondContact O-N 3.46Å; K437-E440 PolarHBondContact O-N 3.03Å; K437-E441 WeakPolarHBondContact O-CB 3.47Å; K437-E441 WeakPolarHBondContact O-CG 3.28Å; K437-E441 PolarHBondContact O-N 2.63Å; K437-F482 HydrophobicContact CB-CE2 4.08Å; K437-F482 HydrophobicContact CB-CZ 3.75Å; K437-F486 HydrophobicContact CB-CE2 4.38Å; K437-F486 HydrophobicContact CG-CE2 4.32Å
438	L	98.3	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.5	-42.3	175.3	177.5	68.4	0	0	0	112	Y434 E442 I444 L446 I479 F482	Y434-L438 PolarHBondContact O-N 3.37Å; L438-E442 HydrophobicContact CD1-CB 3.92Å; L438-E442 HydrophobicContact CD1-CG 3.88Å; L438-E442 WeakPolarHBondContact O-CA 3.42Å; L438-E442 WeakPolarHBondContact O-CB 3.44Å; L438-E442 PolarHBondContact O-N 3.38Å; L438-I444 HydrophobicContact CD1-CB 4.45Å; L438-I444 HydrophobicContact CD2-CB 4.22Å; L438-I444 HydrophobicContact CD2-CG2 4.21Å; L438-I444 HydrophobicContact CG-CB 4.12Å; L438-L446 HydrophobicContact CD2-CD1 3.29Å; L438-L446 HydrophobicContact CD2-CG 3.85Å; L438-I479 HydrophobicContact CD1-CG1 4.43Å; L438-I479 HydrophobicContact CD2-CG1 4.2Å; L438-F482 HydrophobicContact CB-CD1 3.97Å; L438-F482 HydrophobicContact CB-CE1 3.65Å; L438-F482 HydrophobicContact CB-CE2 4.32Å; L438-F482 HydrophobicContact CB-CG 4.42Å; L438-F482 HydrophobicContact CB-CZ 3.85Å; L438-F482 HydrophobicContact CD1-CB 3.71Å; L438-F482 HydrophobicContact CD1-CD1 3.45Å; L438-F482 VanDerWaalsContact CD1-CD1 3.45Å; L438-F482 HydrophobicContact CD1-CD2 4.13Å; L438-F482 HydrophobicContact CD1-CE1 4.07Å; L438-F482 HydrophobicContact CD1-CG 3.47Å; L438-F482 VanDerWaalsContact CD1-CG 3.47Å; L438-F482 HydrophobicContact CG-CD1 4.22Å; L438-F482 HydrophobicContact CG-CE1 4.39Å; L438-F482 VanDerWaalsContact N-CZ 3.34Å
439	L	98.3	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-45.9	177.1	173.7	63.5	0	0	0	111.9	I36 R39 A40 I43 V58 C435 M436 K437 E441 G443 I444 C445	I36-L439 HydrophobicContact CG2-CD2 3.74Å; I36-L439 WeakPolarHBondContact O-CD2 3.37Å; R39-L439 HydrophobicContact CB-CD2 3.96Å; R39-L439 HydrophobicContact CG-CD2 3.9Å; A40-L439 HydrophobicContact CB-CD1 4.08Å; A40-L439 HydrophobicContact CB-CD2 4.1Å; I43-L439 HydrophobicContact CD1-CD1 4.15Å; I43-L439 HydrophobicContact CD1-CD2 4.16Å; I43-L439 HydrophobicContact CD1-CG 3.8Å; V58-L439 HydrophobicContact CG1-CD1 4.14Å; C435-L439 PolarHBondContact O-N 3.39Å; M436-L439 WeakPolarHBondContact O-CB 3.38Å; M436-L439 PolarHBondContact O-N 2.67Å; M436-L439 HydrophobicContact SD-CD2 4.31Å; K437-L439 VanDerWaalsContact C-N 3.29Å; K437-L439 PolarHBondContact O-N 3.46Å; L439-E441 VanDerWaalsContact C-N 3.34Å; L439-E441 PolarHBondContact O-N 3.25Å; L439-G443 VanDerWaalsContact O-CA 3.27Å; L439-G443 WeakPolarHBondContact O-CA 3.46Å; L439-G443 PolarHBondContact O-N 3.43Å; L439-I444 WeakPolarHBondContact CA-O 3.39Å; L439-C445 HydrophobicContact CD1-CB 4.19Å
440	E	97.8	Very high	97.5	Very high	62 Å²	62	16.7 Å²	16.7	29%	0.29	9%	0.085	S	C	.	.	H	α-helix	trans	-69.3	-30	-178.1	-68	-71.2	178.1	0	0	113.5	R39 F55 M436 K437	R39-E440 IonicContact CZ-OE1 2.87Å; R39-E440 VanDerWaalsContact CZ-OE1 3.32Å; R39-E440 IonicContact CZ-OE2 3.8Å; R39-E440 IonicContact NE-OE1 2.62Å; R39-E440 PolarHBondContact NE-OE1 3.32Å; R39-E440 IonicContact NE-OE2 3.18Å; R39-E440 IonicContact NH2-OE1 3.56Å; R39-E440 PolarHBondContact NH2-OE1 3.03Å; R39-E440 IonicContact NH2-OE2 3.98Å; R39-E440 PolarHBondContact NH2-OE2 3.24Å; F55-E440 WeakPolarHBondContact CE1-O 3.49Å; M436-E440 WeakPolarHBondContact O-CG 3.33Å; M436-E440 PolarHBondContact O-N 3.38Å; K437-E440 PolarHBondContact O-N 3.03Å
441	E	97.6	Very high	97.3	Very high	58 Å²	58	16.9 Å²	16.9	27%	0.271	9%	0.088	S	C	.	.	H	α-helix	trans	-96.2	-35.8	-175.4	-69.1	178.2	-147.4	0	0	113.1	P54 F55 K437 L439 F482	P54-E441 WeakPolarHBondContact CG-O 3.31Å; F55-E441 WeakPolarHBondContact CD1-O 3.2Å; K437-E441 WeakPolarHBondContact O-CB 3.47Å; K437-E441 WeakPolarHBondContact O-CG 3.28Å; K437-E441 PolarHBondContact O-N 2.63Å; L439-E441 VanDerWaalsContact C-N 3.34Å; L439-E441 PolarHBondContact O-N 3.25Å; E441-F482 HydrophobicContact CB-CD2 4.36Å; E441-F482 HydrophobicContact CB-CE2 4.45Å; E441-F482 WeakPolarHBondContact OE2-CE2 3.2Å
442	E	97.8	Very high	97.3	Very high	23 Å²	23	16.9 Å²	16.9	11%	0.107	9%	0.088	C	C	.	.	H	α-helix	trans	-116.7	-11.1	-172.9	-64.3	-62.2	163.6	0	0	114.3	L438 I444 K478 F482 R485	L438-E442 HydrophobicContact CD1-CB 3.92Å; L438-E442 HydrophobicContact CD1-CG 3.88Å; L438-E442 WeakPolarHBondContact O-CA 3.42Å; L438-E442 WeakPolarHBondContact O-CB 3.44Å; L438-E442 PolarHBondContact O-N 3.38Å; E442-I444 HydrophobicContact CB-CD1 4.1Å; E442-I444 HydrophobicContact CB-CG1 4.04Å; E442-I444 PolarHBondContact O-N 3.44Å; E442-K478 IonicContact OE2-NZ 3.55Å; E442-K478 PolarHBondContact OE2-NZ 2.76Å; E442-F482 HydrophobicContact CG-CB 3.94Å; E442-F482 HydrophobicContact CG-CD2 4.42Å; E442-F482 HydrophobicContact CG-CG 4.45Å; E442-R485 IonicContact OE1-CZ 2.71Å; E442-R485 IonicContact OE1-NH1 3.64Å; E442-R485 IonicContact OE1-NH2 3.76Å; E442-R485 PolarHBondContact OE1-NH2 2.97Å
443	G	97.1	Very high	97.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.			trans	74.3	15.9	-176.2	0	0	0	0	0	112.8	V58 I59 L439	V58-G443 CarbonylContact C-O 3.59Å; V58-G443 VanDerWaalsContact CA-O 3.26Å; V58-G443 WeakPolarHBondContact CA-O 3.3Å; I59-G443 PolarHBondContact N-O 3.34Å; L439-G443 VanDerWaalsContact O-CA 3.27Å; L439-G443 WeakPolarHBondContact O-CA 3.46Å; L439-G443 PolarHBondContact O-N 3.43Å
444	I	97.4	Very high	97.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.7	-176.2	-58.8	177.4	0	0	0	109.6	L438 L439 E442 L446 V475 K478 I479	L438-I444 HydrophobicContact CD1-CB 4.45Å; L438-I444 HydrophobicContact CD2-CB 4.22Å; L438-I444 HydrophobicContact CD2-CG2 4.21Å; L438-I444 HydrophobicContact CG-CB 4.12Å; L439-I444 WeakPolarHBondContact CA-O 3.39Å; E442-I444 HydrophobicContact CB-CD1 4.1Å; E442-I444 HydrophobicContact CB-CG1 4.04Å; E442-I444 PolarHBondContact O-N 3.44Å; I444-L446 HydrophobicContact CG2-CD2 3.88Å; I444-L446 HydrophobicContact CG2-CG 4.02Å; I444-V475 HydrophobicContact CD1-CG1 4.25Å; I444-V475 HydrophobicContact CG2-CG1 4.28Å; I444-K478 HydrophobicContact CD1-CB 3.49Å; I444-K478 VanDerWaalsContact CD1-CB 3.49Å; I444-K478 HydrophobicContact CD1-CD 4.14Å; I444-K478 HydrophobicContact CD1-CG 4.47Å; I444-I479 HydrophobicContact CD1-CG1 3.9Å; I444-I479 HydrophobicContact CG2-CD1 4.35Å; I444-I479 HydrophobicContact CG2-CG1 4.4Å
445	C	96.6	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	108.9	177.8	-172.7	0	0	0	0	110.3	A40 V58 I59 A61 N62 L439	A40-C445 HydrophobicContact CB-CB 4.16Å; V58-C445 HydrophobicContact CG1-CB 4.24Å; I59-C445 PolarHBondContact O-N 3.14Å; A61-C445 CarbonylContact C-O 3.56Å; A61-C445 VanDerWaalsContact C-O 3.26Å; A61-C445 WeakPolarHBondContact CA-O 3.35Å; A61-C445 PolarHBondContact N-O 2.87Å; A61-C445 VanDerWaalsContact N-O 3.1Å; N62-C445 WeakPolarHBondContact CB-O 3.47Å; N62-C445 PolarHBondContact N-O 2.89Å; N62-C445 VanDerWaalsContact N-O 3.15Å; L439-C445 HydrophobicContact CD1-CB 4.19Å
446	L	96.3	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.			trans	-107.9	175.8	172	-56.5	-177.5	0	0	0	110.8	A61 L438 I444 F461 M463 I479	A61-L446 HydrophobicContact CB-CD2 3.91Å; L438-L446 HydrophobicContact CD2-CD1 3.29Å; L438-L446 HydrophobicContact CD2-CG 3.85Å; I444-L446 HydrophobicContact CG2-CD2 3.88Å; I444-L446 HydrophobicContact CG2-CG 4.02Å; L446-F461 HydrophobicContact CD1-CB 4.4Å; L446-F461 HydrophobicContact CD1-CD1 4.42Å; L446-F461 HydrophobicContact CD1-CD2 3.54Å; L446-F461 HydrophobicContact CD1-CE2 3.77Å; L446-F461 HydrophobicContact CD1-CG 3.88Å; L446-F461 HydrophobicContact CD1-CZ 4.31Å; L446-F461 HydrophobicContact CG-CD2 4.49Å; L446-M463 HydrophobicContact CD2-CB 4.01Å; L446-M463 HydrophobicContact CD2-CG 3.73Å; L446-M463 HydrophobicContact CD2-SD 4.39Å; L446-I479 HydrophobicContact CD1-CD1 4.25Å; L446-I479 HydrophobicContact CD2-CD1 4.49Å
447	V	96.8	Very high	96.8	Very high	1 Å²	1	32 Å²	32	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.9	168.8	-169.5	0	0	0	0	108.7	A31 N62 F452 F461 R462	A31-V447 HydrophobicContact CB-CG1 4.38Å; N62-V447 HydrophobicContact CB-CG2 3.66Å; N62-V447 WeakPolarHBondContact O-CG2 3.44Å; V447-F452 HydrophobicContact CB-CE2 3.61Å; V447-F452 HydrophobicContact CB-CZ 3.72Å; V447-F452 HydrophobicContact CG1-CD2 4.35Å; V447-F452 HydrophobicContact CG1-CE2 3.32Å; V447-F452 HydrophobicContact CG1-CZ 3.5Å; V447-F452 HydrophobicContact CG2-CZ 4.38Å; V447-F461 CarbonylContact O-C 3.55Å; V447-F461 WeakPolarHBondContact O-CA 3.46Å; V447-R462 HydrophobicContact CB-CB 4.47Å; V447-R462 PolarHBondContact N-O 2.61Å; V447-R462 PolarHBondContact O-N 2.94Å
448	P	97.5	Very high	96.8	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	152	-177.8	30.1	-34.3	0	0	0	111.1	I36 D431 M432 C435 S450 G451 F452	I36-P448 HydrophobicContact CD1-CG 4.11Å; D431-P448 HydrophobicContact CB-CB 4.09Å; M432-P448 HydrophobicContact CB-CB 4.48Å; M432-P448 HydrophobicContact CB-CG 4.4Å; M432-P448 HydrophobicContact CE-CG 3.7Å; M432-P448 HydrophobicContact SD-CG 4.18Å; C435-P448 HydrophobicContact CB-CB 4.39Å; P448-S450 PolarHBondContact O-N 2.96Å; P448-G451 PolarHBondContact O-N 2.84Å; P448-F452 WeakPolarHBondContact O-CD2 3.23Å
449	G	97.5	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.9	-35	-178.4	0	0	0	0	0	113.5	D431 G451 F452 G453 H460	D431-G449 WeakPolarHBondContact OD2-CA 3.4Å; D431-G449 PolarHBondContact OD2-N 3.26Å; G449-G451 PolarHBondContact O-N 3.22Å; G449-G451 VanDerWaalsContact O-N 3.1Å; G449-F452 WeakPolarHBondContact O-CA 3.37Å; G449-F452 PolarHBondContact O-N 3.16Å; G449-G453 PolarHBondContact O-N 2.86Å; G449-H460 WeakPolarHBondContact CA-O 3.44Å; G449-H460 PolarHBondContact N-O 2.98Å
450	S	95.7	Very high	96.9	Very high	44 Å²	44	31 Å²	31	31%	0.308	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-54.5	-28.2	173.2	49.9	0	0	0	0	113.7	D431 P448 F452 G453	D431-S450 VanDerWaalsContact OD1-CB 3.28Å; D431-S450 WeakPolarHBondContact OD1-CB 3.42Å; D431-S450 PolarHBondContact OD1-OG 3.35Å; D431-S450 PolarHBondContact OD2-N 3.39Å; D431-S450 PolarHBondContact OD2-OG 3.25Å; P448-S450 PolarHBondContact O-N 2.96Å; S450-F452 PolarHBondContact O-N 3.32Å; S450-G453 PolarHBondContact O-N 2.87Å
451	G	94.2	Very high	96.9	Very high	16 Å²	16	28.1 Å²	28.1	17%	0.165	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-70.6	-15.2	173.9	0	0	0	0	0	115.2	P185 P448 G449	P185-G451 WeakPolarHBondContact CG-O 3.46Å; P448-G451 PolarHBondContact O-N 2.84Å; G449-G451 PolarHBondContact O-N 3.22Å; G449-G451 VanDerWaalsContact O-N 3.1Å
452	F	96.8	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-4.6	-180	-53.7	-89	0	0	0	112	V32 P182 Q183 P185 P240 F410 V447 P448 G449 S450 R462	V32-F452 HydrophobicContact CG2-CE1 4.2Å; V32-F452 HydrophobicContact CG2-CZ 4.37Å; P182-F452 CarbonylContact C-O 3.47Å; P182-F452 WeakPolarHBondContact CA-O 3.37Å; P182-F452 HydrophobicContact CB-CB 4.01Å; Q183-F452 WeakPolarHBondContact CG-O 3.39Å; Q183-F452 PolarHBondContact N-O 3.2Å; Q183-F452 VanDerWaalsContact O-CD1 3.25Å; Q183-F452 WeakPolarHBondContact O-CD1 3.17Å; P185-F452 HydrophobicContact CG-CD1 3.85Å; P185-F452 HydrophobicContact CG-CE1 4.12Å; P240-F452 HydrophobicContact CB-CD1 4.03Å; P240-F452 HydrophobicContact CB-CE1 4.13Å; P240-F452 HydrophobicContact CB-CG 4.41Å; P240-F452 HydrophobicContact CG-CB 4.15Å; P240-F452 HydrophobicContact CG-CD1 3.87Å; P240-F452 HydrophobicContact CG-CE1 4.46Å; P240-F452 HydrophobicContact CG-CG 3.96Å; F410-F452 HydrophobicContact CE2-CB 4.34Å; F410-F452 AromaticContact CE2-CD2 3.63Å; F410-F452 HydrophobicContact CE2-CD2 3.63Å; F410-F452 HydrophobicContact CE2-CE2 4.17Å; F410-F452 HydrophobicContact CE2-CG 4.1Å; F410-F452 HydrophobicContact CZ-CB 4.23Å; F410-F452 HydrophobicContact CZ-CD2 4.22Å; F410-F452 HydrophobicContact CZ-CG 4.48Å; V447-F452 HydrophobicContact CB-CE2 3.61Å; V447-F452 HydrophobicContact CB-CZ 3.72Å; V447-F452 HydrophobicContact CG1-CD2 4.35Å; V447-F452 HydrophobicContact CG1-CE2 3.32Å; V447-F452 HydrophobicContact CG1-CZ 3.5Å; V447-F452 HydrophobicContact CG2-CZ 4.38Å; P448-F452 WeakPolarHBondContact O-CD2 3.23Å; G449-F452 WeakPolarHBondContact O-CA 3.37Å; G449-F452 PolarHBondContact O-N 3.16Å; S450-F452 PolarHBondContact O-N 3.32Å; F452-R462 HydrophobicContact CD2-CB 4.48Å; F452-R462 HydrophobicContact CE1-CB 4.48Å; F452-R462 HydrophobicContact CE2-CB 3.55Å; F452-R462 HydrophobicContact CZ-CB 3.57Å; F452-R462 HydrophobicContact CZ-CG 4.19Å
453	G	96.3	Very high	96.8	Very high	22 Å²	22	24.3 Å²	24.3	23%	0.227	15%	0.15	C	C	.	.			trans	68.7	151.3	-163.1	0	0	0	0	0	112	I181 P182 G449 S450	I181-G453 VanDerWaalsContact CG2-C 3.43Å; P182-G453 WeakPolarHBondContact CA-O 3.46Å; P182-G453 WeakPolarHBondContact CB-O 3.48Å; G449-G453 PolarHBondContact O-N 2.86Å; S450-G453 PolarHBondContact O-N 2.87Å
454	Q	96.9	Very high	96.7	Very high	25 Å²	25	24.3 Å²	24.3	12%	0.117	15%	0.15	C	C	.	.			trans	-158.4	171	177.1	63.1	-156.7	-18	0	0	108.9	D431 T458 H460	D431-Q454 PolarHBondContact OD2-NE2 3.35Å; Q454-T458 WeakPolarHBondContact CG-O 3.35Å; Q454-T458 PolarHBondContact NE2-O 3.04Å; Q454-H460 PolarHBondContact OE1-ND1 3Å
455	K	96.4	Very high	96.6	Very high	139 Å²	139	24.3 Å²	24.3	60%	0.604	15%	0.15	S	C	*	.			trans	-67.7	141.1	174.8	-171	173.7	-178.6	176	0	110.2	Y202 G457 T458	Y202-K455 HydrophobicContact CD1-CB 4.39Å; Y202-K455 HydrophobicContact CE1-CB 4.47Å; K455-G457 PolarHBondContact O-N 3.48Å; K455-T458 HydrophobicContact CB-CG2 4.12Å; K455-T458 PolarHBondContact N-OG1 3.44Å; K455-T458 WeakPolarHBondContact O-CB 3.46Å; K455-T458 PolarHBondContact O-N 3.49Å; K455-T458 PolarHBondContact O-OG1 3.31Å
456	D	95.1	Very high	96.5	Very high	150 Å²	150	24.6 Å²	24.6	80%	0.802	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	136.9	178.1	-71.9	-13.5	0	0	0	111.4	T458	D456-T458 VanDerWaalsContact C-N 3.26Å; D456-T458 PolarHBondContact O-N 3Å
457	G	95.4	Very high	96.3	Very high	67 Å²	67	24.7 Å²	24.7	69%	0.691	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0.8	-176.3	0	0	0	0	0	115.1	K455	K455-G457 PolarHBondContact O-N 3.48Å
458	T	97.8	Very high	96.1	Very high	10 Å²	10	27.9 Å²	27.9	6%	0.061	17%	0.173	C	C	.	.			trans	-104.7	151	171.4	71.1	0	0	0	0	110.9	Q454 K455 D456 H460	Q454-T458 WeakPolarHBondContact CG-O 3.35Å; Q454-T458 PolarHBondContact NE2-O 3.04Å; K455-T458 HydrophobicContact CB-CG2 4.12Å; K455-T458 PolarHBondContact N-OG1 3.44Å; K455-T458 WeakPolarHBondContact O-CB 3.46Å; K455-T458 PolarHBondContact O-N 3.49Å; K455-T458 PolarHBondContact O-OG1 3.31Å; D456-T458 VanDerWaalsContact C-N 3.26Å; D456-T458 PolarHBondContact O-N 3Å; T458-H460 PolarHBondContact OG1-CE1 3.49Å; T458-H460 VanDerWaalsContact OG1-CE1 3.29Å
459	F	98.4	Very high	95.9	Very high	29 Å²	29	29 Å²	29	13%	0.127	18%	0.18	C	C	.	.			trans	-136	135.9	-179.4	-56.2	-65.8	0	0	0	109.6	R412 I413 L415 I420 P430 D431	R412-F459 WeakPolarHBondContact CA-O 3.45Å; I413-F459 HydrophobicContact CG1-CB 3.87Å; I413-F459 WeakPolarHBondContact CG1-O 3.14Å; I413-F459 PolarHBondContact N-O 3.02Å; L415-F459 HydrophobicContact CB-CD2 4.32Å; L415-F459 HydrophobicContact CD1-CB 4.1Å; L415-F459 HydrophobicContact CD1-CD2 3.91Å; L415-F459 HydrophobicContact CD1-CG 3.9Å; L415-F459 HydrophobicContact CG-CB 4.48Å; L415-F459 HydrophobicContact CG-CD2 4.17Å; L415-F459 HydrophobicContact CG-CG 4.48Å; I420-F459 HydrophobicContact CD1-CE2 3.77Å; I420-F459 HydrophobicContact CD1-CZ 4.3Å; I420-F459 HydrophobicContact CG1-CE2 4.14Å; I420-F459 HydrophobicContact CG1-CZ 4.4Å; P430-F459 HydrophobicContact CB-CD1 3.91Å; P430-F459 HydrophobicContact CB-CE1 3.61Å; P430-F459 HydrophobicContact CB-CE2 4.43Å; P430-F459 HydrophobicContact CB-CG 4.46Å; P430-F459 HydrophobicContact CB-CZ 3.89Å; P430-F459 HydrophobicContact CG-CD1 4.32Å; P430-F459 HydrophobicContact CG-CE1 3.54Å; P430-F459 HydrophobicContact CG-CZ 3.71Å; D431-F459 HydrophobicContact CB-CB 4.32Å; D431-F459 HydrophobicContact CB-CD1 4.48Å
460	H	98.7	Very high	95.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-139.3	172.5	-176.4	-56.5	81.5	0	0	0	110.8	E205 W209 F410 P411 R412 D431 G449 Q454 T458	E205-H460 IonicContact OE1-NE2 3.6Å; E205-H460 PolarHBondContact OE1-NE2 2.91Å; E205-H460 IonicContact OE2-NE2 3.51Å; W209-H460 AromaticContact CH2-NE2 3.82Å; W209-H460 AromaticContact CZ2-NE2 3.92Å; F410-H460 HydrophobicContact CD1-CB 3.86Å; F410-H460 AromaticContact CD1-CD2 3.71Å; F410-H460 AromaticContact CD1-CG 3.84Å; F410-H460 HydrophobicContact CD2-CB 4.36Å; F410-H460 HydrophobicContact CE1-CB 3.38Å; F410-H460 AromaticContact CE1-CD2 3.72Å; F410-H460 AromaticContact CE1-CG 3.4Å; F410-H460 VanDerWaalsContact CE1-CG 3.4Å; F410-H460 AromaticContact CE1-ND1 3.91Å; F410-H460 HydrophobicContact CE2-CB 3.96Å; F410-H460 HydrophobicContact CG-CB 4.34Å; F410-H460 HydrophobicContact CZ-CB 3.47Å; F410-H460 VanDerWaalsContact CZ-CB 3.47Å; F410-H460 AromaticContact CZ-CG 3.99Å; P411-H460 VanDerWaalsContact O-CA 3.27Å; P411-H460 WeakPolarHBondContact O-CA 3.32Å; P411-H460 WeakPolarHBondContact O-CB 3.32Å; R412-H460 VanDerWaalsContact CA-CD2 3.43Å; R412-H460 WeakPolarHBondContact CA-CD2 3.41Å; D431-H460 WeakPolarHBondContact CB-O 3.47Å; G449-H460 WeakPolarHBondContact CA-O 3.44Å; G449-H460 PolarHBondContact N-O 2.98Å; Q454-H460 PolarHBondContact OE1-ND1 3Å; T458-H460 PolarHBondContact OG1-CE1 3.49Å; T458-H460 VanDerWaalsContact OG1-CE1 3.29Å
461	F	98.3	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.4	158.4	59.9	-100.3	0	0	0	109.4	F392 F410 P411 I413 Y434 L446 V447 M463 I479	F392-F461 HydrophobicContact CE1-CZ 4.21Å; F392-F461 HydrophobicContact CE2-CE2 4.29Å; F392-F461 HydrophobicContact CE2-CZ 4.48Å; F392-F461 AromaticContact CZ-CE2 3.93Å; F392-F461 HydrophobicContact CZ-CE2 3.93Å; F392-F461 AromaticContact CZ-CZ 3.96Å; F392-F461 HydrophobicContact CZ-CZ 3.96Å; F410-F461 WeakPolarHBondContact CA-O 3.33Å; P411-F461 HydrophobicContact CB-CZ 4.36Å; P411-F461 VanDerWaalsContact CD-O 3.25Å; P411-F461 WeakPolarHBondContact CD-O 3.25Å; P411-F461 HydrophobicContact CG-CD1 4.36Å; P411-F461 HydrophobicContact CG-CD2 3.81Å; P411-F461 HydrophobicContact CG-CE1 3.91Å; P411-F461 HydrophobicContact CG-CE2 3.3Å; P411-F461 HydrophobicContact CG-CG 4.33Å; P411-F461 HydrophobicContact CG-CZ 3.36Å; P411-F461 PolarHBondContact O-N 3.44Å; I413-F461 HydrophobicContact CD1-CD1 4.36Å; I413-F461 HydrophobicContact CG2-CD1 3.9Å; I413-F461 HydrophobicContact CG2-CE1 3.57Å; Y434-F461 HydrophobicContact CE1-CD1 4.12Å; Y434-F461 HydrophobicContact CE1-CE1 4.18Å; L446-F461 HydrophobicContact CD1-CB 4.4Å; L446-F461 HydrophobicContact CD1-CD1 4.42Å; L446-F461 HydrophobicContact CD1-CD2 3.54Å; L446-F461 HydrophobicContact CD1-CE2 3.77Å; L446-F461 HydrophobicContact CD1-CG 3.88Å; L446-F461 HydrophobicContact CD1-CZ 4.31Å; L446-F461 HydrophobicContact CG-CD2 4.49Å; V447-F461 CarbonylContact O-C 3.55Å; V447-F461 WeakPolarHBondContact O-CA 3.46Å; F461-M463 HydrophobicContact CD2-CB 4.35Å; F461-M463 HydrophobicContact CE2-CB 4.21Å; F461-I479 HydrophobicContact CZ-CG2 4.25Å
462	R	98.1	Very high	95.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.1	167.3	-168.9	-172.2	72.8	-171.5	-8.6	110.3	N62 N239 P240 Y408 T409 F410 V447 F452	N62-R462 PolarHBondContact O-NH2 2.78Å; N239-R462 PolarHBondContact OD1-NH1 3.49Å; P240-R462 HydrophobicContact CB-CB 4.17Å; P240-R462 HydrophobicContact CB-CG 3.75Å; Y408-R462 HydrophobicContact CD1-CG 4.14Å; Y408-R462 HydrophobicContact CG-CG 4.21Å; T409-R462 WeakPolarHBondContact O-CA 3.49Å; F410-R462 HydrophobicContact CD2-CB 3.92Å; F410-R462 HydrophobicContact CE2-CB 4.26Å; V447-R462 HydrophobicContact CB-CB 4.47Å; V447-R462 PolarHBondContact N-O 2.61Å; V447-R462 PolarHBondContact O-N 2.94Å; F452-R462 HydrophobicContact CD2-CB 4.48Å; F452-R462 HydrophobicContact CE1-CB 4.48Å; F452-R462 HydrophobicContact CE2-CB 3.55Å; F452-R462 HydrophobicContact CZ-CB 3.57Å; F452-R462 HydrophobicContact CZ-CG 4.19Å
463	M	95.4	Very high	95.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.6	167.2	-167.5	-177.8	71	0	0	110.1	A61 T388 F392 Y408 T409 L446 F461 L472 V475 L476 I479	A61-M463 HydrophobicContact CB-CG 3.89Å; T388-M463 HydrophobicContact CG2-CE 3.4Å; T388-M463 VanDerWaalsContact CG2-CE 3.4Å; F392-M463 HydrophobicContact CE2-CE 3.64Å; F392-M463 HydrophobicContact CE2-SD 4.33Å; F392-M463 HydrophobicContact CZ-CE 3.63Å; F392-M463 HydrophobicContact CZ-SD 3.8Å; Y408-M463 VanDerWaalsContact CA-O 3.29Å; Y408-M463 WeakPolarHBondContact CA-O 3.33Å; T409-M463 PolarHBondContact N-O 3.4Å; T409-M463 PolarHBondContact O-N 3.2Å; T409-M463 VanDerWaalsContact O-N 3.09Å; L446-M463 HydrophobicContact CD2-CB 4.01Å; L446-M463 HydrophobicContact CD2-CG 3.73Å; L446-M463 HydrophobicContact CD2-SD 4.39Å; F461-M463 HydrophobicContact CD2-CB 4.35Å; F461-M463 HydrophobicContact CE2-CB 4.21Å; M463-L472 HydrophobicContact CE-CD1 4.1Å; M463-V475 HydrophobicContact SD-CG1 3.97Å; M463-L476 HydrophobicContact CE-CD2 3.7Å; M463-L476 HydrophobicContact SD-CD2 4.35Å; M463-I479 HydrophobicContact SD-CD1 3.6Å
464	T	95.1	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	144.7	168.5	-173.8	0	0	0	0	112.5	A61 M407 L466 P467	A61-T464 HydrophobicContact CB-CG2 4.37Å; A61-T464 PolarHBondContact O-N 2.97Å; A61-T464 VanDerWaalsContact O-N 3.08Å; M407-T464 WeakPolarHBondContact O-CA 3.34Å; M407-T464 PolarHBondContact O-OG1 3.25Å; T464-L466 HydrophobicContact CG2-CB 4.06Å; T464-L466 PolarHBondContact O-N 3.02Å; T464-L466 WeakPolarHBondContact OG1-CB 3.29Å; T464-L466 WeakPolarHBondContact OG1-CD1 3.26Å; T464-L466 WeakPolarHBondContact OG1-CG 3.41Å; T464-L466 PolarHBondContact OG1-N 2.61Å; T464-P467 WeakPolarHBondContact O-CD 3.4Å
465	I	95	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-84.1	4.8	171.9	69.1	178.8	0	0	0	112.6	Y275 L381 K384 A385 M407 T409 P467	Y275-I465 HydrophobicContact CE2-CD1 4.13Å; L381-I465 HydrophobicContact CD2-CD1 4.4Å; L381-I465 HydrophobicContact CD2-CG1 4.35Å; K384-I465 HydrophobicContact CB-CB 4.25Å; K384-I465 VanDerWaalsContact CD-O 3.29Å; K384-I465 WeakPolarHBondContact CD-O 3.25Å; K384-I465 WeakPolarHBondContact CE-O 3.26Å; K384-I465 PolarHBondContact NZ-O 2.82Å; A385-I465 HydrophobicContact CB-CD1 3.85Å; M407-I465 PolarHBondContact O-N 3.38Å; M407-I465 VanDerWaalsContact O-N 3.1Å; T409-I465 HydrophobicContact CG2-CG2 3.89Å; I465-P467 VanDerWaalsContact C-CD 3.43Å
466	L	94.6	Very high	95.6	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	19%	0.194	C	C	.	.			trans	-67.8	-31.5	-173.5	-77.5	174.7	0	0	0	116.7	A66 M69 L381 K384 M407 T464	A66-L466 HydrophobicContact CB-CD1 4.49Å; A66-L466 HydrophobicContact CB-CD2 3.89Å; M69-L466 HydrophobicContact CB-CB 3.72Å; M69-L466 HydrophobicContact CG-CB 3.81Å; M69-L466 HydrophobicContact CG-CD1 4.38Å; L381-L466 HydrophobicContact CD2-CD2 4.07Å; K384-L466 PolarHBondContact NZ-O 3.28Å; M407-L466 HydrophobicContact CE-CD1 4.42Å; M407-L466 HydrophobicContact SD-CD1 4.22Å; M407-L466 HydrophobicContact SD-CD2 3.6Å; M407-L466 HydrophobicContact SD-CG 4.11Å; T464-L466 HydrophobicContact CG2-CB 4.06Å; T464-L466 PolarHBondContact O-N 3.02Å; T464-L466 WeakPolarHBondContact OG1-CB 3.29Å; T464-L466 WeakPolarHBondContact OG1-CD1 3.26Å; T464-L466 WeakPolarHBondContact OG1-CG 3.41Å; T464-L466 PolarHBondContact OG1-N 2.61Å
467	P	93.2	Very high	95.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	17%	0.174	C	C	.	.	S	Bend	trans	-50.5	149.9	178.4	-29	35.9	0	0	0	112.4	K384 T464 I465 K471 L472	K384-P467 WeakPolarHBondContact CD-O 3.44Å; K384-P467 PolarHBondContact NZ-O 3.14Å; K384-P467 VanDerWaalsContact NZ-O 3.1Å; T464-P467 WeakPolarHBondContact O-CD 3.4Å; I465-P467 VanDerWaalsContact C-CD 3.43Å; P467-K471 HydrophobicContact CB-CB 4.47Å; P467-L472 HydrophobicContact CB-CB 4.29Å
468	P	92.3	Very high	95.8	Very high	67 Å²	67	30 Å²	30	44%	0.435	15%	0.151	S	C	.	.			trans	-56.6	146.6	173.5	-23.9	35	0	0	0	110.5	M69 E470 K471 L472	M69-P468 WeakPolarHBondContact O-CD 3.24Å; P468-E470 VanDerWaalsContact C-N 3.29Å; P468-E470 PolarHBondContact O-N 2.97Å; P468-E470 VanDerWaalsContact O-N 3.12Å; P468-K471 CarbonylContact O-C 3.54Å; P468-K471 WeakPolarHBondContact O-CA 3.05Å; P468-K471 WeakPolarHBondContact O-CB 3.29Å; P468-K471 PolarHBondContact O-N 2.61Å; P468-L472 PolarHBondContact O-N 2.63Å
469	T	93.6	Very high	95.8	Very high	29 Å²	29	29.6 Å²	29.6	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-50.3	-44.6	-170.3	-55	0	0	0	0	113.5	L387 L472 K473	L387-T469 HydrophobicContact CD2-CG2 4.19Å; T469-L472 WeakPolarHBondContact O-CB 3.26Å; T469-L472 PolarHBondContact O-N 2.83Å; T469-K473 WeakPolarHBondContact O-CG 3.37Å; T469-K473 PolarHBondContact O-N 3.42Å
470	E	93.4	Very high	95.8	Very high	126 Å²	126	32.9 Å²	32.9	59%	0.589	16%	0.16	S	C	*	.	H	α-helix	trans	-66.7	-39.1	178.6	-61.8	-50.2	119.4	0	0	112.7	P468 K473 V474	P468-E470 VanDerWaalsContact C-N 3.29Å; P468-E470 PolarHBondContact O-N 2.97Å; P468-E470 VanDerWaalsContact O-N 3.12Å; E470-K473 PolarHBondContact O-N 2.98Å; E470-K473 IonicContact OE1-NZ 3.71Å; E470-K473 PolarHBondContact OE1-NZ 2.87Å; E470-K473 IonicContact OE2-NZ 2.61Å; E470-V474 WeakPolarHBondContact O-CG2 3.42Å; E470-V474 PolarHBondContact O-N 3.39Å
471	K	93.2	Very high	95.8	Very high	68 Å²	68	35.6 Å²	35.6	30%	0.296	17%	0.174	S	C	.	.	H	α-helix	trans	-68.7	-36.7	174	-167.4	167.6	-169.9	165.3	0	111.2	E57 P467 P468 V474 V475	E57-K471 WeakPolarHBondContact OE1-CE 3.35Å; E57-K471 IonicContact OE1-NZ 3.45Å; E57-K471 PolarHBondContact OE1-NZ 3.08Å; E57-K471 IonicContact OE2-NZ 3.63Å; E57-K471 PolarHBondContact OE2-NZ 3.4Å; P467-K471 HydrophobicContact CB-CB 4.47Å; P468-K471 CarbonylContact O-C 3.54Å; P468-K471 WeakPolarHBondContact O-CA 3.05Å; P468-K471 WeakPolarHBondContact O-CB 3.29Å; P468-K471 PolarHBondContact O-N 2.61Å; K471-V474 PolarHBondContact O-N 3.25Å; K471-V475 WeakPolarHBondContact O-CG2 3.2Å; K471-V475 PolarHBondContact O-N 2.86Å
472	L	95.6	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-44.1	176.8	-177.8	61.8	0	0	0	111.3	K384 L387 M463 P467 P468 T469 V474 V475 L476	K384-L472 HydrophobicContact CB-CD2 3.61Å; K384-L472 HydrophobicContact CD-CD2 3.96Å; K384-L472 HydrophobicContact CG-CD2 3.7Å; L387-L472 HydrophobicContact CD2-CD2 4.48Å; M463-L472 HydrophobicContact CE-CD1 4.1Å; P467-L472 HydrophobicContact CB-CB 4.29Å; P468-L472 PolarHBondContact O-N 2.63Å; T469-L472 WeakPolarHBondContact O-CB 3.26Å; T469-L472 PolarHBondContact O-N 2.83Å; L472-V474 VanDerWaalsContact C-N 3.3Å; L472-V474 PolarHBondContact O-N 2.91Å; L472-V475 WeakPolarHBondContact O-CB 3.48Å; L472-V475 PolarHBondContact O-N 3.42Å; L472-L476 HydrophobicContact CD1-CD1 4.3Å; L472-L476 HydrophobicContact CD1-CG 4.22Å; L472-L476 HydrophobicContact CG-CD1 3.98Å; L472-L476 HydrophobicContact CG-CG 4.34Å; L472-L476 WeakPolarHBondContact O-CB 3.32Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.24Å; L472-L476 PolarHBondContact O-N 3.15Å
473	K	96.1	Very high	95.8	Very high	86 Å²	86	35.6 Å²	35.6	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-56.3	-43.9	174.2	-71.3	170.9	-176.7	164	0	111.9	L387 T469 E470 L476 Q477	L387-K473 HydrophobicContact CD2-CG 3.91Å; T469-K473 WeakPolarHBondContact O-CG 3.37Å; T469-K473 PolarHBondContact O-N 3.42Å; E470-K473 PolarHBondContact O-N 2.98Å; E470-K473 IonicContact OE1-NZ 3.71Å; E470-K473 PolarHBondContact OE1-NZ 2.87Å; E470-K473 IonicContact OE2-NZ 2.61Å; K473-L476 PolarHBondContact O-N 3.41Å; K473-Q477 WeakPolarHBondContact O-CB 3.28Å; K473-Q477 PolarHBondContact O-N 3.31Å
474	V	95.1	Very high	95.9	Very high	78 Å²	78	38.1 Å²	38.1	47%	0.473	19%	0.187	S	C	.	.	H	α-helix	trans	-64	-44	176.8	174.7	0	0	0	0	111.6	E470 K471 L472 Q477 K478	E470-V474 WeakPolarHBondContact O-CG2 3.42Å; E470-V474 PolarHBondContact O-N 3.39Å; K471-V474 PolarHBondContact O-N 3.25Å; L472-V474 VanDerWaalsContact C-N 3.3Å; L472-V474 PolarHBondContact O-N 2.91Å; V474-Q477 PolarHBondContact O-N 3.45Å; V474-K478 HydrophobicContact CG1-CD 4.18Å; V474-K478 WeakPolarHBondContact O-CB 3.07Å; V474-K478 WeakPolarHBondContact O-CG 3.34Å; V474-K478 PolarHBondContact O-N 3.45Å
475	V	96.3	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-48.6	176.2	168.3	0	0	0	0	110.8	I59 I444 M463 K471 L472 Q477 K478 I479	I59-V475 HydrophobicContact CB-CG2 4.35Å; I59-V475 HydrophobicContact CD1-CG2 3.71Å; I59-V475 HydrophobicContact CG2-CG2 3.66Å; I444-V475 HydrophobicContact CD1-CG1 4.25Å; I444-V475 HydrophobicContact CG2-CG1 4.28Å; M463-V475 HydrophobicContact SD-CG1 3.97Å; K471-V475 WeakPolarHBondContact O-CG2 3.2Å; K471-V475 PolarHBondContact O-N 2.86Å; L472-V475 WeakPolarHBondContact O-CB 3.48Å; L472-V475 PolarHBondContact O-N 3.42Å; V475-Q477 PolarHBondContact O-N 3.41Å; V475-K478 PolarHBondContact O-N 2.84Å; V475-I479 HydrophobicContact CG1-CD1 3.77Å; V475-I479 HydrophobicContact CG1-CG1 4.48Å; V475-I479 VanDerWaalsContact O-CG1 3.3Å; V475-I479 WeakPolarHBondContact O-CG1 3.29Å; V475-I479 PolarHBondContact O-N 2.86Å
476	L	97.5	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-42.8	179.9	-70.2	173.2	0	0	0	111.9	L387 T388 I391 F392 M463 L472 K473 I479 R480	L387-L476 HydrophobicContact CG-CD1 4.35Å; T388-L476 HydrophobicContact CG2-CD2 4.09Å; I391-L476 HydrophobicContact CB-CD1 4.24Å; I391-L476 HydrophobicContact CD1-CB 4.23Å; I391-L476 HydrophobicContact CD1-CD1 3.56Å; I391-L476 HydrophobicContact CG1-CD1 4.44Å; I391-L476 HydrophobicContact CG2-CB 3.98Å; F392-L476 HydrophobicContact CD1-CD2 4.17Å; F392-L476 HydrophobicContact CE1-CD2 3.58Å; F392-L476 HydrophobicContact CE2-CD2 4.03Å; F392-L476 HydrophobicContact CZ-CD2 3.51Å; M463-L476 HydrophobicContact CE-CD2 3.7Å; M463-L476 HydrophobicContact SD-CD2 4.35Å; L472-L476 HydrophobicContact CD1-CD1 4.3Å; L472-L476 HydrophobicContact CD1-CG 4.22Å; L472-L476 HydrophobicContact CG-CD1 3.98Å; L472-L476 HydrophobicContact CG-CG 4.34Å; L472-L476 WeakPolarHBondContact O-CB 3.32Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.24Å; L472-L476 PolarHBondContact O-N 3.15Å; K473-L476 PolarHBondContact O-N 3.41Å; L476-I479 PolarHBondContact O-N 3.47Å; L476-R480 WeakPolarHBondContact O-CB 3.26Å; L476-R480 PolarHBondContact O-N 2.79Å
477	Q	97.1	Very high	96.3	Very high	78 Å²	78	44.4 Å²	44.4	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-45.9	176.5	-175.5	57.5	45.7	0	0	111.7	K473 V474 V475 I479 R480 D481	K473-Q477 WeakPolarHBondContact O-CB 3.28Å; K473-Q477 PolarHBondContact O-N 3.31Å; V474-Q477 PolarHBondContact O-N 3.45Å; V475-Q477 PolarHBondContact O-N 3.41Å; Q477-I479 PolarHBondContact O-N 2.9Å; Q477-R480 WeakPolarHBondContact O-CB 3.01Å; Q477-R480 PolarHBondContact O-N 2.84Å; Q477-D481 PolarHBondContact NE2-OD1 3.32Å; Q477-D481 PolarHBondContact NE2-OD2 2.85Å; Q477-D481 VanDerWaalsContact O-CG 3.3Å; Q477-D481 PolarHBondContact O-N 3.13Å
478	K	97.6	Very high	96.5	Very high	49 Å²	49	50 Å²	50	21%	0.213	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-42	175.9	-81.6	175.9	156.3	-85.7	0	112.6	E442 I444 V474 V475 D481 F482	E442-K478 IonicContact OE2-NZ 3.55Å; E442-K478 PolarHBondContact OE2-NZ 2.76Å; I444-K478 HydrophobicContact CD1-CB 3.49Å; I444-K478 VanDerWaalsContact CD1-CB 3.49Å; I444-K478 HydrophobicContact CD1-CD 4.14Å; I444-K478 HydrophobicContact CD1-CG 4.47Å; V474-K478 HydrophobicContact CG1-CD 4.18Å; V474-K478 WeakPolarHBondContact O-CB 3.07Å; V474-K478 WeakPolarHBondContact O-CG 3.34Å; V474-K478 PolarHBondContact O-N 3.45Å; V475-K478 PolarHBondContact O-N 2.84Å; K478-D481 PolarHBondContact O-N 2.77Å; K478-F482 VanDerWaalsContact O-CB 3.27Å; K478-F482 WeakPolarHBondContact O-CB 3.43Å; K478-F482 PolarHBondContact O-N 3.49Å
479	I	98.1	Very high	96.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-45	175.5	-68.3	167.6	0	0	0	110.4	F392 L438 I444 L446 F461 M463 V475 L476 Q477 H483	F392-I479 HydrophobicContact CE1-CB 4.4Å; F392-I479 HydrophobicContact CE1-CD1 4.32Å; F392-I479 HydrophobicContact CE1-CG2 3.86Å; F392-I479 HydrophobicContact CZ-CD1 4.19Å; L438-I479 HydrophobicContact CD1-CG1 4.43Å; L438-I479 HydrophobicContact CD2-CG1 4.2Å; I444-I479 HydrophobicContact CD1-CG1 3.9Å; I444-I479 HydrophobicContact CG2-CD1 4.35Å; I444-I479 HydrophobicContact CG2-CG1 4.4Å; L446-I479 HydrophobicContact CD1-CD1 4.25Å; L446-I479 HydrophobicContact CD2-CD1 4.49Å; F461-I479 HydrophobicContact CZ-CG2 4.25Å; M463-I479 HydrophobicContact SD-CD1 3.6Å; V475-I479 HydrophobicContact CG1-CD1 3.77Å; V475-I479 HydrophobicContact CG1-CG1 4.48Å; V475-I479 VanDerWaalsContact O-CG1 3.3Å; V475-I479 WeakPolarHBondContact O-CG1 3.29Å; V475-I479 PolarHBondContact O-N 2.86Å; L476-I479 PolarHBondContact O-N 3.47Å; Q477-I479 PolarHBondContact O-N 2.9Å; I479-H483 VanDerWaalsContact O-CB 3.25Å; I479-H483 WeakPolarHBondContact O-CB 3.48Å; I479-H483 PolarHBondContact O-N 2.79Å
480	R	97.9	Very high	96.7	Very high	99 Å²	99	51.9 Å²	51.9	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-57.6	-51.6	176	167.9	-177	165.2	-173.6	0.6	111.3	V395 L476 Q477 F482 H483 L484	V395-R480 HydrophobicContact CG1-CG 4.36Å; V395-R480 HydrophobicContact CG2-CB 3.85Å; V395-R480 HydrophobicContact CG2-CG 3.76Å; L476-R480 WeakPolarHBondContact O-CB 3.26Å; L476-R480 PolarHBondContact O-N 2.79Å; Q477-R480 WeakPolarHBondContact O-CB 3.01Å; Q477-R480 PolarHBondContact O-N 2.84Å; R480-F482 PolarHBondContact O-N 3.47Å; R480-H483 PolarHBondContact O-N 2.71Å; R480-L484 HydrophobicContact CG-CD1 4.15Å; R480-L484 WeakPolarHBondContact O-CG 3.35Å; R480-L484 PolarHBondContact O-N 2.81Å
481	D	97.8	Very high	96.4	Very high	58 Å²	58	51 Å²	51	31%	0.31	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-40.8	-175.8	-66	-26.2	0	0	0	111.3	Q477 K478 R485	Q477-D481 PolarHBondContact NE2-OD1 3.32Å; Q477-D481 PolarHBondContact NE2-OD2 2.85Å; Q477-D481 VanDerWaalsContact O-CG 3.3Å; Q477-D481 PolarHBondContact O-N 3.13Å; K478-D481 PolarHBondContact O-N 2.77Å; D481-R485 WeakPolarHBondContact O-CG 3.19Å; D481-R485 PolarHBondContact O-N 2.95Å; D481-R485 VanDerWaalsContact O-N 3.14Å; D481-R485 PolarHBondContact O-NH1 3.49Å
482	F	98.4	Very high	96.5	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-48.5	171.3	169.8	-96	0	0	0	111.5	Y434 K437 L438 E441 E442 K478 R480 L484 R485 F486	Y434-F482 HydrophobicContact CD1-CE1 4.46Å; Y434-F482 AromaticContact CD2-CE1 3.92Å; Y434-F482 HydrophobicContact CD2-CE1 3.92Å; Y434-F482 HydrophobicContact CE1-CE1 4.08Å; Y434-F482 HydrophobicContact CE2-CD1 4.15Å; Y434-F482 AromaticContact CE2-CE1 3.51Å; Y434-F482 HydrophobicContact CE2-CE1 3.51Å; Y434-F482 HydrophobicContact CE2-CZ 4.47Å; Y434-F482 HydrophobicContact CG-CE1 4.39Å; Y434-F482 AromaticContact CZ-CD1 3.94Å; Y434-F482 AromaticContact CZ-CE1 3.59Å; K437-F482 HydrophobicContact CB-CE2 4.08Å; K437-F482 HydrophobicContact CB-CZ 3.75Å; L438-F482 HydrophobicContact CB-CD1 3.97Å; L438-F482 HydrophobicContact CB-CE1 3.65Å; L438-F482 HydrophobicContact CB-CE2 4.32Å; L438-F482 HydrophobicContact CB-CG 4.42Å; L438-F482 HydrophobicContact CB-CZ 3.85Å; L438-F482 HydrophobicContact CD1-CB 3.71Å; L438-F482 HydrophobicContact CD1-CD1 3.45Å; L438-F482 VanDerWaalsContact CD1-CD1 3.45Å; L438-F482 HydrophobicContact CD1-CD2 4.13Å; L438-F482 HydrophobicContact CD1-CE1 4.07Å; L438-F482 HydrophobicContact CD1-CG 3.47Å; L438-F482 VanDerWaalsContact CD1-CG 3.47Å; L438-F482 HydrophobicContact CG-CD1 4.22Å; L438-F482 HydrophobicContact CG-CE1 4.39Å; L438-F482 VanDerWaalsContact N-CZ 3.34Å; E441-F482 HydrophobicContact CB-CD2 4.36Å; E441-F482 HydrophobicContact CB-CE2 4.45Å; E441-F482 WeakPolarHBondContact OE2-CE2 3.2Å; E442-F482 HydrophobicContact CG-CB 3.94Å; E442-F482 HydrophobicContact CG-CD2 4.42Å; E442-F482 HydrophobicContact CG-CG 4.45Å; K478-F482 VanDerWaalsContact O-CB 3.27Å; K478-F482 WeakPolarHBondContact O-CB 3.43Å; K478-F482 PolarHBondContact O-N 3.49Å; R480-F482 PolarHBondContact O-N 3.47Å; F482-L484 VanDerWaalsContact C-N 3.34Å; F482-L484 PolarHBondContact O-N 3.46Å; F482-R485 PolarHBondContact O-N 3.21Å; F482-F486 HydrophobicContact CE1-CB 4.23Å; F482-F486 HydrophobicContact CE1-CD2 4.29Å; F482-F486 HydrophobicContact CE1-CG 4.37Å; F482-F486 HydrophobicContact CE2-CB 4.48Å; F482-F486 HydrophobicContact CE2-CD2 4.29Å; F482-F486 HydrophobicContact CZ-CB 4.16Å; F482-F486 AromaticContact CZ-CD2 3.68Å; F482-F486 HydrophobicContact CZ-CD2 3.68Å; F482-F486 HydrophobicContact CZ-CE2 4.45Å; F482-F486 HydrophobicContact CZ-CG 4.17Å; F482-F486 VanDerWaalsContact O-CB 3.25Å; F482-F486 WeakPolarHBondContact O-CB 3.48Å; F482-F486 PolarHBondContact O-N 3.42Å
483	H	98.4	Very high	96.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-47.9	-177.9	-175	77.7	0	0	0	111.5	V395 P396 I398 Y434 I479 R480 R485 F486 T487	V395-H483 HydrophobicContact CG1-CB 4.41Å; P396-H483 PolarHBondContact O-CD2 3.36Å; P396-H483 PolarHBondContact O-NE2 2.97Å; P396-H483 VanDerWaalsContact O-NE2 3.12Å; I398-H483 HydrophobicContact CD1-CB 4.21Å; Y434-H483 AromaticContact CE2-ND1 3.69Å; Y434-H483 AromaticContact CZ-ND1 3.69Å; Y434-H483 WeakPolarHBondContact OH-CB 3.47Å; Y434-H483 PolarHBondContact OH-ND1 2.72Å; I479-H483 VanDerWaalsContact O-CB 3.25Å; I479-H483 WeakPolarHBondContact O-CB 3.48Å; I479-H483 PolarHBondContact O-N 2.79Å; R480-H483 PolarHBondContact O-N 2.71Å; H483-R485 PolarHBondContact O-N 2.75Å; H483-F486 PolarHBondContact O-N 3.25Å; H483-T487 WeakPolarHBondContact O-CG2 3.42Å; H483-T487 PolarHBondContact O-N 2.85Å; H483-T487 PolarHBondContact O-OG1 3.14Å
484	L	97.9	Very high	96.6	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-40.4	179.2	-67.8	173.9	0	0	0	112.4	R480 F482 T487 N488	R480-L484 HydrophobicContact CG-CD1 4.15Å; R480-L484 WeakPolarHBondContact O-CG 3.35Å; R480-L484 PolarHBondContact O-N 2.81Å; F482-L484 VanDerWaalsContact C-N 3.34Å; F482-L484 PolarHBondContact O-N 3.46Å; L484-T487 PolarHBondContact O-OG1 3.27Å; L484-N488 WeakPolarHBondContact O-CB 3.36Å; L484-N488 PolarHBondContact O-N 3.41Å; L484-N488 VanDerWaalsContact O-N 3.15Å; L484-N488 PolarHBondContact O-ND2 2.77Å
485	R	97.8	Very high	96.7	Very high	114 Å²	114	49.4 Å²	49.4	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-44.8	175.7	-69.6	-171.3	-45.4	-95.9	2.5	111.7	E442 D481 F482 H483 N488 E489	E442-R485 IonicContact OE1-CZ 2.71Å; E442-R485 IonicContact OE1-NH1 3.64Å; E442-R485 IonicContact OE1-NH2 3.76Å; E442-R485 PolarHBondContact OE1-NH2 2.97Å; D481-R485 WeakPolarHBondContact O-CG 3.19Å; D481-R485 PolarHBondContact O-N 2.95Å; D481-R485 VanDerWaalsContact O-N 3.14Å; D481-R485 PolarHBondContact O-NH1 3.49Å; F482-R485 PolarHBondContact O-N 3.21Å; H483-R485 PolarHBondContact O-N 2.75Å; R485-N488 PolarHBondContact O-N 3.37Å; R485-E489 WeakPolarHBondContact O-CB 3.38Å; R485-E489 PolarHBondContact O-N 2.68Å
486	F	98.2	Very high	96.7	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-48.6	179.3	-178	-83.9	0	0	0	110.8	L415 A419 F433 Y434 K437 F482 H483 N488 E489 F490	L415-F486 HydrophobicContact CD2-CE1 3.97Å; A419-F486 HydrophobicContact CB-CE1 3.67Å; A419-F486 HydrophobicContact CB-CZ 3.83Å; F433-F486 HydrophobicContact CD1-CE2 4.18Å; F433-F486 AromaticContact CD1-CZ 3.95Å; F433-F486 HydrophobicContact CD1-CZ 3.95Å; F433-F486 AromaticContact CE1-CE2 3.77Å; F433-F486 HydrophobicContact CE1-CE2 3.77Å; F433-F486 AromaticContact CE1-CZ 3.75Å; F433-F486 HydrophobicContact CE1-CZ 3.75Å; Y434-F486 AromaticContact CD2-CD1 3.83Å; Y434-F486 HydrophobicContact CD2-CD1 3.83Å; Y434-F486 HydrophobicContact CD2-CD2 4.38Å; Y434-F486 AromaticContact CD2-CE1 3.8Å; Y434-F486 HydrophobicContact CD2-CE1 3.8Å; Y434-F486 HydrophobicContact CD2-CE2 4.32Å; Y434-F486 HydrophobicContact CD2-CG 4.13Å; Y434-F486 HydrophobicContact CD2-CZ 4.04Å; Y434-F486 HydrophobicContact CE2-CD1 4.02Å; Y434-F486 HydrophobicContact CE2-CE1 4.43Å; Y434-F486 HydrophobicContact CE2-CG 4.22Å; K437-F486 HydrophobicContact CB-CE2 4.38Å; K437-F486 HydrophobicContact CG-CE2 4.32Å; F482-F486 HydrophobicContact CE1-CB 4.23Å; F482-F486 HydrophobicContact CE1-CD2 4.29Å; F482-F486 HydrophobicContact CE1-CG 4.37Å; F482-F486 HydrophobicContact CE2-CB 4.48Å; F482-F486 HydrophobicContact CE2-CD2 4.29Å; F482-F486 HydrophobicContact CZ-CB 4.16Å; F482-F486 AromaticContact CZ-CD2 3.68Å; F482-F486 HydrophobicContact CZ-CD2 3.68Å; F482-F486 HydrophobicContact CZ-CE2 4.45Å; F482-F486 HydrophobicContact CZ-CG 4.17Å; F482-F486 VanDerWaalsContact O-CB 3.25Å; F482-F486 WeakPolarHBondContact O-CB 3.48Å; F482-F486 PolarHBondContact O-N 3.42Å; H483-F486 PolarHBondContact O-N 3.25Å; F486-N488 VanDerWaalsContact C-N 3.34Å; F486-N488 PolarHBondContact O-N 3.08Å; F486-E489 PolarHBondContact O-N 2.92Å; F486-F490 HydrophobicContact CD1-CD2 4.02Å; F486-F490 HydrophobicContact CD2-CD2 4.1Å; F486-F490 AromaticContact CD2-CE2 3.82Å; F486-F490 HydrophobicContact CD2-CE2 3.82Å; F486-F490 AromaticContact CE1-CD2 3.77Å; F486-F490 HydrophobicContact CE1-CD2 3.77Å; F486-F490 HydrophobicContact CE1-CE2 4.2Å; F486-F490 AromaticContact CE2-CD2 3.89Å; F486-F490 HydrophobicContact CE2-CD2 3.89Å; F486-F490 AromaticContact CE2-CE2 3.45Å; F486-F490 HydrophobicContact CE2-CE2 3.45Å; F486-F490 VanDerWaalsContact CE2-CE2 3.45Å; F486-F490 HydrophobicContact CE2-CZ 4.44Å; F486-F490 HydrophobicContact CG-CD2 4.17Å; F486-F490 HydrophobicContact CG-CE2 4.35Å; F486-F490 AromaticContact CZ-CD2 3.71Å; F486-F490 HydrophobicContact CZ-CD2 3.71Å; F486-F490 AromaticContact CZ-CE2 3.66Å; F486-F490 HydrophobicContact CZ-CE2 3.66Å; F486-F490 VanDerWaalsContact O-CD2 3.24Å; F486-F490 WeakPolarHBondContact O-CD2 3.32Å; F486-F490 PolarHBondContact O-N 2.96Å
487	T	96.7	Very high	96.6	Very high	22 Å²	22	55.9 Å²	55.9	14%	0.135	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-39.2	179.5	53.1	0	0	0	0	111.7	P416 H483 L484 F490 S491	P416-T487 HydrophobicContact CG-CG2 4.27Å; H483-T487 WeakPolarHBondContact O-CG2 3.42Å; H483-T487 PolarHBondContact O-N 2.85Å; H483-T487 PolarHBondContact O-OG1 3.14Å; L484-T487 PolarHBondContact O-OG1 3.27Å; T487-F490 CarbonylContact O-C 3.26Å; T487-F490 PolarHBondContact O-N 2.86Å; T487-S491 WeakPolarHBondContact O-CB 3.33Å; T487-S491 PolarHBondContact O-N 3.13Å; T487-S491 PolarHBondContact O-OG 3.47Å
488	N	96.7	Very high	96.6	Very high	120 Å²	120	54.4 Å²	54.4	64%	0.642	27%	0.269	S	S	*	.	H	α-helix	trans	-64	-40.3	174.3	-73	-24.5	0	0	0	113	L484 R485 F486 F490 S491	L484-N488 WeakPolarHBondContact O-CB 3.36Å; L484-N488 PolarHBondContact O-N 3.41Å; L484-N488 VanDerWaalsContact O-N 3.15Å; L484-N488 PolarHBondContact O-ND2 2.77Å; R485-N488 PolarHBondContact O-N 3.37Å; F486-N488 VanDerWaalsContact C-N 3.34Å; F486-N488 PolarHBondContact O-N 3.08Å; N488-F490 VanDerWaalsContact C-N 3.26Å; N488-F490 PolarHBondContact O-N 2.99Å; N488-S491 PolarHBondContact O-N 3.08Å
489	E	96.2	Very high	96.5	Very high	116 Å²	116	54.8 Å²	54.8	54%	0.542	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-37.8	176.6	-178.3	-173.7	162.7	0	0	111.7	R485 F486	R485-E489 WeakPolarHBondContact O-CB 3.38Å; R485-E489 PolarHBondContact O-N 2.68Å; F486-E489 PolarHBondContact O-N 2.92Å
490	F	95	Very high	96.4	Very high	19 Å²	19	59.3 Å²	59.3	8%	0.083	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8.2	-176.9	-67.3	-74.2	0	0	0	114.5	P416 K418 A419 K422 F433 F486 T487 N488	P416-F490 HydrophobicContact CB-CB 3.98Å; P416-F490 WeakPolarHBondContact CB-O 3.19Å; P416-F490 HydrophobicContact CG-CB 4.08Å; K418-F490 HydrophobicContact CB-CB 4.29Å; K418-F490 HydrophobicContact CB-CD1 4.21Å; K418-F490 WeakPolarHBondContact CB-O 3.45Å; A419-F490 HydrophobicContact CB-CB 3.75Å; A419-F490 HydrophobicContact CB-CD1 4Å; A419-F490 HydrophobicContact CB-CD2 3.89Å; A419-F490 HydrophobicContact CB-CG 3.61Å; K422-F490 HydrophobicContact CB-CE1 4Å; K422-F490 HydrophobicContact CG-CE1 4.04Å; K422-F490 HydrophobicContact CG-CZ 4.47Å; F433-F490 HydrophobicContact CE1-CE2 4.18Å; F433-F490 AromaticContact CE1-CZ 3.92Å; F433-F490 HydrophobicContact CE1-CZ 3.92Å; F433-F490 HydrophobicContact CZ-CZ 4.02Å; F486-F490 HydrophobicContact CD1-CD2 4.02Å; F486-F490 HydrophobicContact CD2-CD2 4.1Å; F486-F490 AromaticContact CD2-CE2 3.82Å; F486-F490 HydrophobicContact CD2-CE2 3.82Å; F486-F490 AromaticContact CE1-CD2 3.77Å; F486-F490 HydrophobicContact CE1-CD2 3.77Å; F486-F490 HydrophobicContact CE1-CE2 4.2Å; F486-F490 AromaticContact CE2-CD2 3.89Å; F486-F490 HydrophobicContact CE2-CD2 3.89Å; F486-F490 AromaticContact CE2-CE2 3.45Å; F486-F490 HydrophobicContact CE2-CE2 3.45Å; F486-F490 VanDerWaalsContact CE2-CE2 3.45Å; F486-F490 HydrophobicContact CE2-CZ 4.44Å; F486-F490 HydrophobicContact CG-CD2 4.17Å; F486-F490 HydrophobicContact CG-CE2 4.35Å; F486-F490 AromaticContact CZ-CD2 3.71Å; F486-F490 HydrophobicContact CZ-CD2 3.71Å; F486-F490 AromaticContact CZ-CE2 3.66Å; F486-F490 HydrophobicContact CZ-CE2 3.66Å; F486-F490 VanDerWaalsContact O-CD2 3.24Å; F486-F490 WeakPolarHBondContact O-CD2 3.32Å; F486-F490 PolarHBondContact O-N 2.96Å; T487-F490 CarbonylContact O-C 3.26Å; T487-F490 PolarHBondContact O-N 2.86Å; N488-F490 VanDerWaalsContact C-N 3.26Å; N488-F490 PolarHBondContact O-N 2.99Å
491	S	86	Confident	96.3	Very high	107 Å²	107	55.7 Å²	55.7	75%	0.748	29%	0.29	S	S	*	.			trans	-69.2	0	176.6	-72.5	0	0	0	0	112.5	K418 T487 N488	K418-S491 PolarHBondContact NZ-O 2.62Å; T487-S491 WeakPolarHBondContact O-CB 3.33Å; T487-S491 PolarHBondContact O-N 3.13Å; T487-S491 PolarHBondContact O-OG 3.47Å; N488-S491 PolarHBondContact O-N 3.08Å

Retrieved 491 of 491 residues in 162.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).