A0A087YLA2_POEFO Loading...

Alpha-(1,6)-fucosyltransferase

Catalyzes the addition of fucose in alpha 1-6 linkage to the first GlcNAc residue, next to the peptide chains in N-glycans.

AlphaFold DB , UniProt , Accession A0A087YLA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 583 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	57	Low	251 Å²	251	158.6 Å²	158.6	100%	1.236	75%	0.754	S	S	*	*				0	115	0	-71.2	169.5	179.3	0	0	108.2
2	R	43.4	Very low	58.5	Low	244 Å²	244	150 Å²	150	92%	0.921	72%	0.719	S	S	*	*			trans	-121.9	140.5	173.7	-80.3	-175.1	175.6	-174.5	-0.9	108
3	P	49.1	Very low	60	Low	125 Å²	125	146.4 Å²	146.4	81%	0.812	71%	0.705	S	S	*	*			trans	-82.6	142	-169.8	28	-23.3	0	0	0	112.3	A5	P3-A5 PolarHBondContact O-N 2.9Å; P3-A5 VanDerWaalsContact O-N 3.11Å
4	W	44.6	Very low	61.2	Low	245 Å²	245	142.4 Å²	142.4	93%	0.928	69%	0.694	S	S	*	*			trans	-81.1	82	-174.9	-137.7	52.6	0	0	0	110.2	G6	W4-G6 VanDerWaalsContact C-N 3.26Å; W4-G6 PolarHBondContact O-N 2.92Å
5	A	51.9	Low	62.3	Low	99 Å²	99	140.7 Å²	140.7	82%	0.818	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	33.5	-175.9	0	0	0	0	0	114.7	P3	P3-A5 PolarHBondContact O-N 2.9Å; P3-A5 VanDerWaalsContact O-N 3.11Å
6	G	57.3	Low	63.4	Low	48 Å²	48	139.2 Å²	139.2	50%	0.495	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108	-20.6	-173.5	0	0	0	0	0	116.6	W4	W4-G6 VanDerWaalsContact C-N 3.26Å; W4-G6 PolarHBondContact O-N 2.92Å
7	S	60.1	Low	64.2	Low	62 Å²	62	134.4 Å²	134.4	43%	0.434	67%	0.672	S	S	.	*	S	Bend	trans	-95.4	-21	-165.1	-165.8	0	0	0	0	115.2	I11	S7-I11 WeakPolarHBondContact O-CD1 3.35Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å
8	W	65.3	Low	64.7	Low	203 Å²	203	136.1 Å²	136.1	77%	0.769	67%	0.669	S	S	*	*	H	α-helix	trans	-80.6	-27.2	-172	-143.6	60.4	0	0	0	113.4	I11 T12	W8-I11 PolarHBondContact O-N 3.34Å; W8-T12 PolarHBondContact O-N 2.85Å; W8-T12 VanDerWaalsContact O-N 3.07Å; W8-T12 PolarHBondContact O-OG1 3Å
9	R	65.8	Low	65.5	Low	200 Å²	200	130.8 Å²	130.8	76%	0.755	65%	0.654	S	S	*	*	H	α-helix	trans	-67.2	-34.5	176.4	-74.6	-178.4	165	-177.3	-4.9	112.9	T12 L13	R9-T12 WeakPolarHBondContact CA-OG1 3.46Å; R9-T12 PolarHBondContact O-OG1 3.43Å; R9-T12 VanDerWaalsContact O-OG1 3.08Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.09Å
10	W	68.7	Low	65.9	Low	185 Å²	185	129 Å²	129	70%	0.701	65%	0.65	S	S	*	*	H	α-helix	trans	-75.2	-38.7	176.9	-75.8	104.8	0	0	0	112.2	L13 V14	W10-L13 PolarHBondContact O-N 2.94Å; W10-V14 WeakPolarHBondContact O-CG2 3.05Å; W10-V14 PolarHBondContact O-N 3.15Å
11	I	73.7	Confident	66.3	Low	83 Å²	83	127.3 Å²	127.3	43%	0.426	64%	0.642	S	S	.	*	H	α-helix	trans	-65.2	-41.5	176.9	-64.3	167.1	0	0	0	110.8	S7 W8 V14 L15	S7-I11 WeakPolarHBondContact O-CD1 3.35Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å; W8-I11 PolarHBondContact O-N 3.34Å; I11-V14 PolarHBondContact O-N 3.28Å; I11-L15 HydrophobicContact CG2-CD1 3.93Å; I11-L15 HydrophobicContact CG2-CG 4.49Å; I11-L15 WeakPolarHBondContact O-CB 3.11Å; I11-L15 WeakPolarHBondContact O-CG 3.29Å; I11-L15 PolarHBondContact O-N 3.33Å
12	T	75	Confident	67.5	Low	55 Å²	55	120 Å²	120	34%	0.337	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-38	176.3	34.6	0	0	0	0	112.7	W8 R9 L15 L16	W8-T12 PolarHBondContact O-N 2.85Å; W8-T12 VanDerWaalsContact O-N 3.07Å; W8-T12 PolarHBondContact O-OG1 3Å; R9-T12 WeakPolarHBondContact CA-OG1 3.46Å; R9-T12 PolarHBondContact O-OG1 3.43Å; R9-T12 VanDerWaalsContact O-OG1 3.08Å; T12-L15 PolarHBondContact O-N 3.42Å; T12-L16 WeakPolarHBondContact O-CB 3.36Å; T12-L16 WeakPolarHBondContact O-CG 3.38Å; T12-L16 PolarHBondContact O-N 2.68Å
13	L	77.3	Confident	68.9	Low	103 Å²	103	116.8 Å²	116.8	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-65.5	-41.7	174.6	-83.5	166.5	0	0	0	112.7	R9 W10 L16 A17	R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.09Å; W10-L13 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-A17 WeakPolarHBondContact O-CB 3.49Å; L13-A17 PolarHBondContact O-N 2.98Å
14	V	77.4	Confident	70	Confident	91 Å²	91	118.3 Å²	118.3	55%	0.552	59%	0.592	S	S	*	*	H	α-helix	trans	-66.6	-41.9	177.4	173.6	0	0	0	0	110.9	W10 I11 A17 W18	W10-V14 WeakPolarHBondContact O-CG2 3.05Å; W10-V14 PolarHBondContact O-N 3.15Å; I11-V14 PolarHBondContact O-N 3.28Å; V14-A17 PolarHBondContact O-N 3.04Å; V14-W18 WeakPolarHBondContact O-CB 3.36Å; V14-W18 PolarHBondContact O-N 3.17Å
15	L	77.4	Confident	71.2	Confident	117 Å²	117	110.8 Å²	110.8	61%	0.613	57%	0.568	S	S	*	*	H	α-helix	trans	-66.1	-36.9	176.5	-73.3	170.9	0	0	0	112.5	I11 T12 W18 G19	I11-L15 HydrophobicContact CG2-CD1 3.93Å; I11-L15 HydrophobicContact CG2-CG 4.49Å; I11-L15 WeakPolarHBondContact O-CB 3.11Å; I11-L15 WeakPolarHBondContact O-CG 3.29Å; I11-L15 PolarHBondContact O-N 3.33Å; T12-L15 PolarHBondContact O-N 3.42Å; L15-W18 PolarHBondContact O-N 3.4Å; L15-G19 PolarHBondContact O-N 3.42Å
16	L	79.5	Confident	71.5	Confident	116 Å²	116	107.7 Å²	107.7	61%	0.607	55%	0.546	S	S	*	.	H	α-helix	trans	-65.8	-44.3	173.5	-84.5	164	0	0	0	111.7	T12 L13 W18 G19 T20	T12-L16 WeakPolarHBondContact O-CB 3.36Å; T12-L16 WeakPolarHBondContact O-CG 3.38Å; T12-L16 PolarHBondContact O-N 2.68Å; L13-L16 PolarHBondContact O-N 3.48Å; L16-W18 VanDerWaalsContact C-N 3.33Å; L16-W18 PolarHBondContact O-N 2.93Å; L16-G19 PolarHBondContact O-N 3.21Å; L16-T20 WeakPolarHBondContact O-CG2 3.2Å; L16-T20 PolarHBondContact O-N 2.82Å; L16-T20 PolarHBondContact O-OG1 3.25Å; L16-T20 VanDerWaalsContact O-OG1 3.14Å
17	A	77.6	Confident	71.4	Confident	58 Å²	58	107 Å²	107	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-61.7	-42	176.2	0	0	0	0	0	111.7	L13 V14 T20 L21	L13-A17 WeakPolarHBondContact O-CB 3.49Å; L13-A17 PolarHBondContact O-N 2.98Å; V14-A17 PolarHBondContact O-N 3.04Å; A17-T20 WeakPolarHBondContact CA-OG1 3.46Å; A17-T20 PolarHBondContact O-N 3.15Å; A17-T20 PolarHBondContact O-OG1 3Å; A17-L21 WeakPolarHBondContact O-CB 3.25Å; A17-L21 PolarHBondContact O-N 3.02Å
18	W	74.1	Confident	71.1	Confident	164 Å²	164	109.4 Å²	109.4	62%	0.621	54%	0.543	S	S	*	.	H	α-helix	trans	-67.1	-39.8	176	-127	76.5	0	0	0	112.4	V14 L15 L16 L21 L22	V14-W18 WeakPolarHBondContact O-CB 3.36Å; V14-W18 PolarHBondContact O-N 3.17Å; L15-W18 PolarHBondContact O-N 3.4Å; L16-W18 VanDerWaalsContact C-N 3.33Å; L16-W18 PolarHBondContact O-N 2.93Å; W18-L21 PolarHBondContact O-N 3.03Å; W18-L22 HydrophobicContact CE3-CD1 3.58Å; W18-L22 HydrophobicContact CE3-CG 4Å; W18-L22 HydrophobicContact CZ3-CD1 3.69Å; W18-L22 HydrophobicContact CZ3-CD2 4.24Å; W18-L22 HydrophobicContact CZ3-CG 4.11Å; W18-L22 WeakPolarHBondContact O-CG 3.5Å; W18-L22 PolarHBondContact O-N 2.82Å
19	G	78.2	Confident	70.3	Confident	37 Å²	37	106 Å²	106	38%	0.381	54%	0.539	S	S	.	.	H	α-helix	trans	-62.3	-42.5	174	0	0	0	0	0	112.5	L15 L16 L22 F23	L15-G19 PolarHBondContact O-N 3.42Å; L16-G19 PolarHBondContact O-N 3.21Å; G19-L22 PolarHBondContact O-N 2.89Å; G19-F23 WeakPolarHBondContact O-CB 3.48Å; G19-F23 PolarHBondContact O-N 3.28Å
20	T	75	Confident	69.5	Low	94 Å²	94	101.3 Å²	101.3	58%	0.577	53%	0.533	S	S	*	.	H	α-helix	trans	-67.4	-34.6	175.6	50.8	0	0	0	0	112.8	L16 A17 F23 Y24	L16-T20 WeakPolarHBondContact O-CG2 3.2Å; L16-T20 PolarHBondContact O-N 2.82Å; L16-T20 PolarHBondContact O-OG1 3.25Å; L16-T20 VanDerWaalsContact O-OG1 3.14Å; A17-T20 WeakPolarHBondContact CA-OG1 3.46Å; A17-T20 PolarHBondContact O-N 3.15Å; A17-T20 PolarHBondContact O-OG1 3Å; T20-F23 PolarHBondContact O-N 2.86Å; T20-Y24 VanDerWaalsContact O-CB 3.27Å; T20-Y24 WeakPolarHBondContact O-CB 3.5Å; T20-Y24 PolarHBondContact O-N 3.04Å
21	L	74.1	Confident	68.2	Low	93 Å²	93	103 Å²	103	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-67.4	-44.5	175.4	-168.9	80	0	0	0	111.1	A17 W18 F23 Y24 I25	A17-L21 WeakPolarHBondContact O-CB 3.25Å; A17-L21 PolarHBondContact O-N 3.02Å; W18-L21 PolarHBondContact O-N 3.03Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-Y24 PolarHBondContact O-N 2.8Å; L21-I25 HydrophobicContact CD2-CD1 4.41Å; L21-I25 HydrophobicContact CG-CD1 3.99Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.27Å; L21-I25 PolarHBondContact O-N 3.49Å
22	L	72.6	Confident	66.6	Low	98 Å²	98	105.8 Å²	105.8	51%	0.513	56%	0.555	S	S	.	*	H	α-helix	trans	-64.7	-37.7	175.2	-75.3	174.8	0	0	0	112.1	W18 G19 G26	W18-L22 HydrophobicContact CE3-CD1 3.58Å; W18-L22 HydrophobicContact CE3-CG 4Å; W18-L22 HydrophobicContact CZ3-CD1 3.69Å; W18-L22 HydrophobicContact CZ3-CD2 4.24Å; W18-L22 HydrophobicContact CZ3-CG 4.11Å; W18-L22 WeakPolarHBondContact O-CG 3.5Å; W18-L22 PolarHBondContact O-N 2.82Å; G19-L22 PolarHBondContact O-N 2.89Å; L22-G26 WeakPolarHBondContact O-CA 3.49Å; L22-G26 PolarHBondContact O-N 3.1Å
23	F	72.6	Confident	64.8	Low	176 Å²	176	106.7 Å²	106.7	77%	0.772	56%	0.563	S	S	*	*	H	α-helix	trans	-70.8	-34.2	176	-155	-88.2	0	0	0	112	G19 T20 L21 G27	G19-F23 WeakPolarHBondContact O-CB 3.48Å; G19-F23 PolarHBondContact O-N 3.28Å; T20-F23 PolarHBondContact O-N 2.86Å; L21-F23 VanDerWaalsContact C-N 3.34Å; F23-G27 WeakPolarHBondContact O-CA 3.48Å; F23-G27 PolarHBondContact O-N 2.84Å
24	Y	72.1	Confident	63.1	Low	158 Å²	158	109.5 Å²	109.5	62%	0.62	57%	0.574	S	S	*	*	H	α-helix	trans	-68.8	-45.1	174.4	-173.7	-96.5	0	0	0	111.6	T20 L21 G27 H28	T20-Y24 VanDerWaalsContact O-CB 3.27Å; T20-Y24 WeakPolarHBondContact O-CB 3.5Å; T20-Y24 PolarHBondContact O-N 3.04Å; L21-Y24 PolarHBondContact O-N 2.8Å; Y24-G27 PolarHBondContact O-N 3.23Å; Y24-H28 WeakPolarHBondContact O-CB 3.36Å; Y24-H28 PolarHBondContact O-N 2.9Å
25	I	69.2	Low	61.7	Low	86 Å²	86	114 Å²	114	44%	0.441	59%	0.589	S	S	.	*	H	α-helix	trans	-68.2	-44.6	177.4	-65.9	168.6	0	0	0	110.7	L21 H28 L29	L21-I25 HydrophobicContact CD2-CD1 4.41Å; L21-I25 HydrophobicContact CG-CD1 3.99Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.27Å; L21-I25 PolarHBondContact O-N 3.49Å; I25-H28 PolarHBondContact O-N 3.49Å; I25-L29 HydrophobicContact CG2-CD1 4.07Å; I25-L29 PolarHBondContact O-N 3.37Å; I25-L29 VanDerWaalsContact O-N 3.08Å
26	G	58.3	Low	60.1	Low	34 Å²	34	112.4 Å²	112.4	35%	0.351	59%	0.585	S	S	.	*	H	α-helix	trans	-66	-37.7	175.7	0	0	0	0	0	112.9	L22 L29 V30	L22-G26 WeakPolarHBondContact O-CA 3.49Å; L22-G26 PolarHBondContact O-N 3.1Å; G26-L29 PolarHBondContact O-N 2.95Å; G26-V30 WeakPolarHBondContact O-CB 3.33Å; G26-V30 VanDerWaalsContact O-CG2 3.3Å; G26-V30 WeakPolarHBondContact O-CG2 3.35Å; G26-V30 PolarHBondContact O-N 3.17Å
27	G	55.3	Low	58.3	Low	34 Å²	34	114.9 Å²	114.9	35%	0.351	59%	0.594	S	S	.	*	H	α-helix	trans	-67.8	-34.8	175.6	0	0	0	0	0	113.2	F23 Y24 R31	F23-G27 WeakPolarHBondContact O-CA 3.48Å; F23-G27 PolarHBondContact O-N 2.84Å; Y24-G27 PolarHBondContact O-N 3.23Å; G27-R31 WeakPolarHBondContact O-CB 3.3Å; G27-R31 PolarHBondContact O-N 3.23Å
28	H	53.9	Low	56.7	Low	112 Å²	112	122.9 Å²	122.9	52%	0.519	61%	0.611	S	S	.	*	H	α-helix	trans	-75	-29.7	174.5	-124.3	-71.9	0	0	0	112.9	Y24 I25	Y24-H28 WeakPolarHBondContact O-CB 3.36Å; Y24-H28 PolarHBondContact O-N 2.9Å; I25-H28 PolarHBondContact O-N 3.49Å
29	L	49.4	Very low	55.7	Low	131 Å²	131	118.8 Å²	118.8	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-76.3	-29.7	175.5	-98.5	144.2	0	0	0	113.6	I25 G26	I25-L29 HydrophobicContact CG2-CD1 4.07Å; I25-L29 PolarHBondContact O-N 3.37Å; I25-L29 VanDerWaalsContact O-N 3.08Å; G26-L29 PolarHBondContact O-N 2.95Å
30	V	48.2	Very low	54.5	Low	102 Å²	102	120.1 Å²	120.1	62%	0.618	61%	0.611	S	S	*	*	H	α-helix	trans	-86.7	-27.7	179.4	174.3	0	0	0	0	111.8	G26 D32 S33	G26-V30 WeakPolarHBondContact O-CB 3.33Å; G26-V30 VanDerWaalsContact O-CG2 3.3Å; G26-V30 WeakPolarHBondContact O-CG2 3.35Å; G26-V30 PolarHBondContact O-N 3.17Å; V30-D32 PolarHBondContact O-N 3.11Å; V30-S33 PolarHBondContact O-N 3.19Å; V30-S33 PolarHBondContact O-OG 2.99Å
31	R	41.5	Very low	53.5	Low	220 Å²	220	124 Å²	124	83%	0.83	62%	0.616	S	S	*	*	H	α-helix	trans	-81.8	-11.9	-175.2	-154.6	168.5	175.6	175.1	-2.5	115	G27	G27-R31 WeakPolarHBondContact O-CB 3.3Å; G27-R31 PolarHBondContact O-N 3.23Å
32	D	39.8	Very low	52.5	Low	143 Å²	143	124.5 Å²	124.5	77%	0.765	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	1.1	170.1	-85.5	-18	0	0	0	113.8	V30	V30-D32 PolarHBondContact O-N 3.11Å
33	S	38.1	Very low	51.6	Low	73 Å²	73	124.5 Å²	124.5	51%	0.51	62%	0.615	S	S	.	*	S	Bend	trans	-99.4	0.7	-178	67.8	0	0	0	0	116.1	V30 H35	V30-S33 PolarHBondContact O-N 3.19Å; V30-S33 PolarHBondContact O-OG 2.99Å; S33-H35 PolarHBondContact O-N 3Å
34	E	41.3	Very low	50.9	Low	163 Å²	163	119.1 Å²	119.1	76%	0.762	60%	0.6	S	S	*	*			trans	-102.5	57.6	-179.4	-74.3	-168.1	156.8	0	0	113.7
35	H	47.9	Very low	50.4	Low	186 Å²	186	116.7 Å²	116.7	86%	0.861	59%	0.592	S	S	*	*			trans	-147.8	63.6	151.4	-98.6	-0.5	0	0	0	112.9	S33	S33-H35 PolarHBondContact O-N 3Å
36	P	42.7	Very low	50	Low	83 Å²	83	116.9 Å²	116.9	54%	0.539	59%	0.593	S	S	.	*			trans	-87.4	-16.1	-180	-0.6	21	0	0	0	114.1	S40	P36-S40 WeakPolarHBondContact O-CB 3.22Å; P36-S40 PolarHBondContact O-N 3.32Å; P36-S40 PolarHBondContact O-OG 2.92Å
37	E	42.6	Very low	50.3	Low	168 Å²	168	120 Å²	120	79%	0.785	60%	0.601	S	S	*	*	H	α-helix	trans	-85	-19.3	-163.5	-67.8	-157.2	157.8	0	0	116
38	R	44.5	Very low	50.9	Low	225 Å²	225	121 Å²	121	85%	0.849	61%	0.607	S	S	*	*	H	α-helix	trans	-87.1	-34.1	175.6	-124.9	177	-176	179.3	0.9	112.5	E42	R38-E42 WeakPolarHBondContact O-CG 3.28Å; R38-E42 PolarHBondContact O-N 2.99Å
39	S	52.4	Low	51.4	Low	79 Å²	79	122.9 Å²	122.9	55%	0.552	61%	0.613	S	S	*	*	H	α-helix	trans	-69.3	-46.9	175.9	155.7	0	0	0	0	111.5	R41 E42 L43	S39-R41 VanDerWaalsContact C-N 3.3Å; S39-R41 PolarHBondContact O-N 3.29Å; S39-E42 PolarHBondContact O-N 3.5Å; S39-L43 VanDerWaalsContact O-CB 3.26Å; S39-L43 WeakPolarHBondContact O-CB 3.37Å; S39-L43 PolarHBondContact O-N 3.09Å
40	S	53	Low	52	Low	65 Å²	65	121.6 Å²	121.6	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-64.2	-34	-179.2	66.1	0	0	0	0	113.1	P36 S44	P36-S40 WeakPolarHBondContact O-CB 3.22Å; P36-S40 PolarHBondContact O-N 3.32Å; P36-S40 PolarHBondContact O-OG 2.92Å; S40-S44 VanDerWaalsContact O-CB 3.26Å; S40-S44 WeakPolarHBondContact O-CB 3.39Å; S40-S44 PolarHBondContact O-N 2.87Å; S40-S44 PolarHBondContact O-OG 3.26Å
41	R	53.7	Low	52.9	Low	176 Å²	176	123 Å²	123	66%	0.664	61%	0.607	S	S	*	*	H	α-helix	trans	-75.6	-32.1	178.1	-158.8	171.3	162.8	-165.7	-4.9	112.9	S39 S44 K45	S39-R41 VanDerWaalsContact C-N 3.3Å; S39-R41 PolarHBondContact O-N 3.29Å; R41-S44 VanDerWaalsContact CA-OG 3.26Å; R41-S44 WeakPolarHBondContact CA-OG 3.47Å; R41-S44 PolarHBondContact O-OG 3.43Å; R41-K45 WeakPolarHBondContact O-CG 3.36Å; R41-K45 PolarHBondContact O-N 3.21Å
42	E	53.7	Low	54.1	Low	102 Å²	102	121.1 Å²	121.1	48%	0.477	60%	0.599	S	S	.	*	H	α-helix	trans	-73.3	-42.6	169.4	-74.1	-73.3	118.3	0	0	110.8	R38 S39 S44 K45 I46	R38-E42 WeakPolarHBondContact O-CG 3.28Å; R38-E42 PolarHBondContact O-N 2.99Å; S39-E42 PolarHBondContact O-N 3.5Å; E42-S44 PolarHBondContact O-N 3.02Å; E42-K45 WeakPolarHBondContact O-CB 3.43Å; E42-K45 PolarHBondContact O-N 2.93Å; E42-K45 IonicContact OE1-NZ 3.49Å; E42-K45 PolarHBondContact OE1-NZ 3.19Å; E42-I46 WeakPolarHBondContact O-CB 3.2Å; E42-I46 WeakPolarHBondContact O-CD1 3.43Å; E42-I46 WeakPolarHBondContact O-CG1 3.48Å; E42-I46 PolarHBondContact O-N 2.89Å
43	L	52.9	Low	55.1	Low	99 Å²	99	119.3 Å²	119.3	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-63.6	-41	177.7	-154	91.5	0	0	0	111.5	S39 I46 L47	S39-L43 VanDerWaalsContact O-CB 3.26Å; S39-L43 WeakPolarHBondContact O-CB 3.37Å; S39-L43 PolarHBondContact O-N 3.09Å; L43-I46 PolarHBondContact O-N 2.87Å; L43-L47 HydrophobicContact CD2-CD1 4.28Å; L43-L47 HydrophobicContact CG-CD1 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.46Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.24Å; L43-L47 PolarHBondContact O-N 3.38Å
44	S	57.5	Low	56.6	Low	63 Å²	63	122.2 Å²	122.2	44%	0.441	59%	0.592	S	S	.	*	H	α-helix	trans	-68.6	-36.2	175.1	48.4	0	0	0	0	112.4	S40 R41 E42 I46 A48	S40-S44 VanDerWaalsContact O-CB 3.26Å; S40-S44 WeakPolarHBondContact O-CB 3.39Å; S40-S44 PolarHBondContact O-N 2.87Å; S40-S44 PolarHBondContact O-OG 3.26Å; R41-S44 VanDerWaalsContact CA-OG 3.26Å; R41-S44 WeakPolarHBondContact CA-OG 3.47Å; R41-S44 PolarHBondContact O-OG 3.43Å; E42-S44 PolarHBondContact O-N 3.02Å; S44-I46 VanDerWaalsContact C-N 3.33Å; S44-A48 VanDerWaalsContact O-CB 3.22Å; S44-A48 WeakPolarHBondContact O-CB 3.38Å; S44-A48 PolarHBondContact O-N 3.01Å
45	K	62.8	Low	58.1	Low	106 Å²	106	119.7 Å²	119.7	46%	0.461	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-37.8	170.1	-74.6	171.8	-167.7	169.3	0	112.1	R41 E42 K49	R41-K45 WeakPolarHBondContact O-CG 3.36Å; R41-K45 PolarHBondContact O-N 3.21Å; E42-K45 WeakPolarHBondContact O-CB 3.43Å; E42-K45 PolarHBondContact O-N 2.93Å; E42-K45 IonicContact OE1-NZ 3.49Å; E42-K45 PolarHBondContact OE1-NZ 3.19Å; K45-K49 WeakPolarHBondContact O-CB 3.46Å; K45-K49 WeakPolarHBondContact O-CG 3.29Å; K45-K49 PolarHBondContact O-N 2.89Å
46	I	61.3	Low	58.9	Low	90 Å²	90	115.6 Å²	115.6	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-69.3	-44.7	177.6	-70.5	164	0	0	0	110.3	E42 L43 S44 K49 L50	E42-I46 WeakPolarHBondContact O-CB 3.2Å; E42-I46 WeakPolarHBondContact O-CD1 3.43Å; E42-I46 WeakPolarHBondContact O-CG1 3.48Å; E42-I46 PolarHBondContact O-N 2.89Å; L43-I46 PolarHBondContact O-N 2.87Å; S44-I46 VanDerWaalsContact C-N 3.33Å; I46-K49 PolarHBondContact O-N 3.36Å; I46-L50 HydrophobicContact CG2-CD1 4.28Å; I46-L50 WeakPolarHBondContact O-CB 3.46Å; I46-L50 PolarHBondContact O-N 2.87Å
47	L	63.3	Low	60	Low	99 Å²	99	115.4 Å²	115.4	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-44.7	174.4	-76.2	166.9	0	0	0	111.2	L43 K49 L50 E51	L43-L47 HydrophobicContact CD2-CD1 4.28Å; L43-L47 HydrophobicContact CG-CD1 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.46Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.24Å; L43-L47 PolarHBondContact O-N 3.38Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.04Å; L47-L50 WeakPolarHBondContact O-CB 3.12Å; L47-L50 PolarHBondContact O-N 2.88Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L47-E51 WeakPolarHBondContact O-CB 3.31Å; L47-E51 PolarHBondContact O-N 2.85Å
48	A	68.4	Low	61.3	Low	57 Å²	57	111.2 Å²	111.2	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-36.2	175.2	0	0	0	0	0	112.5	S44 R52	S44-A48 VanDerWaalsContact O-CB 3.22Å; S44-A48 WeakPolarHBondContact O-CB 3.38Å; S44-A48 PolarHBondContact O-N 3.01Å; A48-R52 VanDerWaalsContact O-CB 3.26Å; A48-R52 WeakPolarHBondContact O-CB 3.41Å; A48-R52 PolarHBondContact O-N 2.94Å
49	K	64.4	Low	62.4	Low	151 Å²	151	103.6 Å²	103.6	66%	0.657	51%	0.513	S	S	*	.	H	α-helix	trans	-68.4	-41	172.3	-83.1	-178.1	176.8	-178.6	0	112.1	K45 I46 L47 R52 L53	K45-K49 WeakPolarHBondContact O-CB 3.46Å; K45-K49 WeakPolarHBondContact O-CG 3.29Å; K45-K49 PolarHBondContact O-N 2.89Å; I46-K49 PolarHBondContact O-N 3.36Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.04Å; K49-R52 PolarHBondContact O-N 3.33Å; K49-L53 WeakPolarHBondContact O-CB 3.44Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.38Å; K49-L53 PolarHBondContact O-N 2.88Å
50	L	62	Low	62.8	Low	104 Å²	104	104.9 Å²	104.9	55%	0.545	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-42	176.7	-106.1	158.9	0	0	0	111.6	I46 L47 L53 K54	I46-L50 HydrophobicContact CG2-CD1 4.28Å; I46-L50 WeakPolarHBondContact O-CB 3.46Å; I46-L50 PolarHBondContact O-N 2.87Å; L47-L50 WeakPolarHBondContact O-CB 3.12Å; L47-L50 PolarHBondContact O-N 2.88Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L50-L53 PolarHBondContact O-N 2.88Å; L50-K54 WeakPolarHBondContact O-CB 3.41Å; L50-K54 PolarHBondContact O-N 2.87Å
51	E	67.4	Low	63.3	Low	132 Å²	132	109.5 Å²	109.5	62%	0.617	52%	0.52	S	S	*	.	H	α-helix	trans	-68.9	-41.3	177.9	-164	156.6	-147.8	0	0	110.9	L47 L53 K54 Q55	L47-E51 WeakPolarHBondContact O-CB 3.31Å; L47-E51 PolarHBondContact O-N 2.85Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 2.52Å; E51-K54 WeakPolarHBondContact O-CB 3.48Å; E51-K54 PolarHBondContact O-N 2.88Å; E51-Q55 WeakPolarHBondContact O-CB 3.38Å; E51-Q55 PolarHBondContact O-N 2.81Å
52	R	66.9	Low	64	Low	180 Å²	180	108.6 Å²	108.6	68%	0.679	52%	0.517	S	S	*	.	H	α-helix	trans	-61.7	-39.5	171.8	-170.9	173.4	-177.4	172.7	0.5	112.5	A48 K49 Q55 Q56	A48-R52 VanDerWaalsContact O-CB 3.26Å; A48-R52 WeakPolarHBondContact O-CB 3.41Å; A48-R52 PolarHBondContact O-N 2.94Å; K49-R52 PolarHBondContact O-N 3.33Å; R52-Q55 PolarHBondContact O-N 2.88Å; R52-Q56 WeakPolarHBondContact O-CB 3.46Å; R52-Q56 WeakPolarHBondContact O-CG 3.35Å; R52-Q56 PolarHBondContact O-N 3.5Å
53	L	60.7	Low	64.3	Low	104 Å²	104	108.9 Å²	108.9	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-39.3	175.1	-79.4	165.1	0	0	0	111.8	K49 L50 E51 Q55 Q56 N57	K49-L53 WeakPolarHBondContact O-CB 3.44Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.38Å; K49-L53 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 2.88Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 2.52Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; L53-Q56 PolarHBondContact O-N 3.32Å; L53-N57 WeakPolarHBondContact O-CB 3.46Å; L53-N57 PolarHBondContact O-N 3.47Å
54	K	68.6	Low	64.6	Low	134 Å²	134	107.2 Å²	107.2	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-43.3	174.4	-171.7	-176.2	174.9	-170	0	110.8	L50 E51 N57 E58	L50-K54 WeakPolarHBondContact O-CB 3.41Å; L50-K54 PolarHBondContact O-N 2.87Å; E51-K54 WeakPolarHBondContact O-CB 3.48Å; E51-K54 PolarHBondContact O-N 2.88Å; K54-N57 WeakPolarHBondContact O-CB 3.39Å; K54-N57 PolarHBondContact O-N 3.1Å; K54-N57 VanDerWaalsContact O-N 3.16Å; K54-E58 PolarHBondContact O-N 3.31Å
55	Q	73.1	Confident	64.7	Low	111 Å²	111	110.4 Å²	110.4	52%	0.519	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-46.3	175.4	-162.7	112.5	15.4	0	0	111.4	E51 R52 L53 N57 E58 D59	E51-Q55 WeakPolarHBondContact O-CB 3.38Å; E51-Q55 PolarHBondContact O-N 2.81Å; R52-Q55 PolarHBondContact O-N 2.88Å; L53-Q55 VanDerWaalsContact C-N 3.34Å; Q55-N57 PolarHBondContact O-N 3.2Å; Q55-E58 PolarHBondContact O-N 3.08Å; Q55-D59 WeakPolarHBondContact O-CB 3.46Å; Q55-D59 PolarHBondContact O-N 3.48Å
56	Q	64.9	Low	64.3	Low	100 Å²	100	109.8 Å²	109.8	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-60	-34.7	174.3	-77	178.9	-35.9	0	0	112.4	R52 L53 L60	R52-Q56 WeakPolarHBondContact O-CB 3.46Å; R52-Q56 WeakPolarHBondContact O-CG 3.35Å; R52-Q56 PolarHBondContact O-N 3.5Å; L53-Q56 PolarHBondContact O-N 3.32Å; Q56-L60 WeakPolarHBondContact O-CB 3.46Å; Q56-L60 VanDerWaalsContact O-CG 3.3Å; Q56-L60 WeakPolarHBondContact O-CG 3.36Å; Q56-L60 PolarHBondContact O-N 3.08Å
57	N	66.5	Low	63.8	Low	79 Å²	79	111.9 Å²	111.9	42%	0.422	55%	0.549	S	S	.	.	H	α-helix	trans	-73.7	-37.1	177.8	-151.8	-5.9	0	0	0	112	L53 K54 Q55 R61	L53-N57 WeakPolarHBondContact O-CB 3.46Å; L53-N57 PolarHBondContact O-N 3.47Å; K54-N57 WeakPolarHBondContact O-CB 3.39Å; K54-N57 PolarHBondContact O-N 3.1Å; K54-N57 VanDerWaalsContact O-N 3.16Å; Q55-N57 PolarHBondContact O-N 3.2Å; N57-R61 WeakPolarHBondContact O-CB 3.21Å; N57-R61 WeakPolarHBondContact O-CG 3.4Å; N57-R61 PolarHBondContact O-N 2.84Å
58	E	70.1	Confident	63.1	Low	79 Å²	79	117.3 Å²	117.3	37%	0.369	56%	0.562	S	S	.	*	H	α-helix	trans	-68.4	-39.8	171.8	-76.6	179.9	-169.4	0	0	111.9	K54 Q55 R61 R62	K54-E58 PolarHBondContact O-N 3.31Å; Q55-E58 PolarHBondContact O-N 3.08Å; E58-R61 WeakPolarHBondContact O-CB 3.46Å; E58-R61 PolarHBondContact O-N 2.85Å; E58-R62 WeakPolarHBondContact O-CB 3.47Å; E58-R62 WeakPolarHBondContact O-CG 3.2Å; E58-R62 PolarHBondContact O-N 2.87Å
59	D	66.9	Low	62.1	Low	65 Å²	65	121.5 Å²	121.5	35%	0.348	58%	0.575	S	S	.	*	H	α-helix	trans	-66.5	-38.6	175.2	-76.4	-19.7	0	0	0	111.8	Q55 R62 M63	Q55-D59 WeakPolarHBondContact O-CB 3.46Å; Q55-D59 PolarHBondContact O-N 3.48Å; D59-R62 PolarHBondContact O-N 2.93Å; D59-M63 HydrophobicContact CB-CE 4.3Å; D59-M63 WeakPolarHBondContact O-CB 3.46Å; D59-M63 WeakPolarHBondContact O-CG 3.42Å; D59-M63 PolarHBondContact O-N 3.01Å
60	L	61.4	Low	61.2	Low	107 Å²	107	119.7 Å²	119.7	56%	0.56	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-39.9	171.6	-82.1	165.5	0	0	0	112	Q56 M63 A64	Q56-L60 WeakPolarHBondContact O-CB 3.46Å; Q56-L60 VanDerWaalsContact O-CG 3.3Å; Q56-L60 WeakPolarHBondContact O-CG 3.36Å; Q56-L60 PolarHBondContact O-N 3.08Å; L60-M63 PolarHBondContact O-N 3.01Å; L60-A64 WeakPolarHBondContact O-CB 3.5Å; L60-A64 PolarHBondContact O-N 3.35Å
61	R	63.6	Low	60.5	Low	161 Å²	161	124.6 Å²	124.6	61%	0.608	60%	0.599	S	S	*	*	H	α-helix	trans	-64.7	-42.4	173.5	-82.3	179.2	168.5	178.8	-5.2	112.1	N57 E58 A64 E65	N57-R61 WeakPolarHBondContact O-CB 3.21Å; N57-R61 WeakPolarHBondContact O-CG 3.4Å; N57-R61 PolarHBondContact O-N 2.84Å; E58-R61 WeakPolarHBondContact O-CB 3.46Å; E58-R61 PolarHBondContact O-N 2.85Å; R61-A64 CarbonylContact O-C 3.57Å; R61-A64 WeakPolarHBondContact O-CB 3.29Å; R61-A64 PolarHBondContact O-N 3.39Å; R61-E65 WeakPolarHBondContact O-CB 3.28Å; R61-E65 WeakPolarHBondContact O-CG 3.46Å; R61-E65 PolarHBondContact O-N 2.96Å
62	R	68.1	Low	59.6	Low	157 Å²	157	121.3 Å²	121.3	59%	0.592	60%	0.6	S	S	*	*	H	α-helix	trans	-65.3	-38.8	175.2	-74.5	178	-179.6	180	2.2	111.9	E58 D59 E65 S66	E58-R62 WeakPolarHBondContact O-CB 3.47Å; E58-R62 WeakPolarHBondContact O-CG 3.2Å; E58-R62 PolarHBondContact O-N 2.87Å; D59-R62 PolarHBondContact O-N 2.93Å; R62-E65 PolarHBondContact O-N 2.88Å; R62-S66 VanDerWaalsContact O-CB 3.32Å; R62-S66 WeakPolarHBondContact O-CB 3.29Å; R62-S66 PolarHBondContact O-N 3.25Å; R62-S66 PolarHBondContact O-OG 3.06Å
63	M	60.1	Low	58.3	Low	109 Å²	109	121.8 Å²	121.8	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-63.4	-42.2	171.9	-80	-175.5	-118.6	0	0	111.3	D59 L60 S66 L67	D59-M63 HydrophobicContact CB-CE 4.3Å; D59-M63 WeakPolarHBondContact O-CB 3.46Å; D59-M63 WeakPolarHBondContact O-CG 3.42Å; D59-M63 PolarHBondContact O-N 3.01Å; L60-M63 PolarHBondContact O-N 3.01Å; M63-S66 WeakPolarHBondContact CA-OG 3.43Å; M63-S66 PolarHBondContact O-N 3.23Å; M63-S66 PolarHBondContact O-OG 3.38Å; M63-L67 WeakPolarHBondContact O-CG 3.44Å; M63-L67 PolarHBondContact O-N 2.87Å
64	A	59.1	Low	57.5	Low	63 Å²	63	122 Å²	122	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-64.8	-37.7	175.1	0	0	0	0	0	112.7	L60 R61 L67	L60-A64 WeakPolarHBondContact O-CB 3.5Å; L60-A64 PolarHBondContact O-N 3.35Å; R61-A64 CarbonylContact O-C 3.57Å; R61-A64 WeakPolarHBondContact O-CB 3.29Å; R61-A64 PolarHBondContact O-N 3.39Å; A64-L67 PolarHBondContact O-N 3.45Å
65	E	59.5	Low	56.4	Low	130 Å²	130	125 Å²	125	61%	0.607	64%	0.643	S	S	*	*	H	α-helix	trans	-70.9	-35.7	173.9	-78.2	174.7	165.7	0	0	112.3	R61 R62 L67 R68	R61-E65 WeakPolarHBondContact O-CB 3.28Å; R61-E65 WeakPolarHBondContact O-CG 3.46Å; R61-E65 PolarHBondContact O-N 2.96Å; R62-E65 PolarHBondContact O-N 2.88Å; E65-L67 PolarHBondContact O-N 3.13Å; E65-R68 WeakPolarHBondContact O-CB 3.36Å; E65-R68 PolarHBondContact O-N 2.91Å; E65-R68 VanDerWaalsContact O-N 3.17Å
66	S	53.6	Low	55.2	Low	94 Å²	94	123.2 Å²	123.2	66%	0.657	65%	0.648	S	S	*	*	H	α-helix	trans	-69.3	-15.7	175.9	74.7	0	0	0	0	113.9	R62 M63	R62-S66 VanDerWaalsContact O-CB 3.32Å; R62-S66 WeakPolarHBondContact O-CB 3.29Å; R62-S66 PolarHBondContact O-N 3.25Å; R62-S66 PolarHBondContact O-OG 3.06Å; M63-S66 WeakPolarHBondContact CA-OG 3.43Å; M63-S66 PolarHBondContact O-N 3.23Å; M63-S66 PolarHBondContact O-OG 3.38Å
67	L	51.7	Low	54.5	Low	134 Å²	134	121.1 Å²	121.1	70%	0.702	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	2.9	175	-76	163.5	0	0	0	112.9	M63 A64 E65 I69	M63-L67 WeakPolarHBondContact O-CG 3.44Å; M63-L67 PolarHBondContact O-N 2.87Å; A64-L67 PolarHBondContact O-N 3.45Å; E65-L67 PolarHBondContact O-N 3.13Å; L67-I69 VanDerWaalsContact C-N 3.35Å; L67-I69 PolarHBondContact O-N 2.92Å
68	R	48.2	Very low	53.9	Low	213 Å²	213	122.4 Å²	122.4	80%	0.804	67%	0.668	S	S	*	*			trans	-71.2	91.4	166.2	-98	178.3	158.2	164.5	-5.8	109.5	E65	E65-R68 WeakPolarHBondContact O-CB 3.36Å; E65-R68 PolarHBondContact O-N 2.91Å; E65-R68 VanDerWaalsContact O-N 3.17Å
69	I	47.8	Very low	53	Low	145 Å²	145	124.8 Å²	124.8	74%	0.744	68%	0.682	S	S	*	*			trans	-63.5	134.1	168	-56.9	176.4	0	0	0	108.5	L67	L67-I69 VanDerWaalsContact C-N 3.35Å; L67-I69 PolarHBondContact O-N 2.92Å
70	P	45.3	Very low	52.4	Low	112 Å²	112	124.6 Å²	124.6	73%	0.727	69%	0.69	S	S	*	*			trans	-59.6	141.9	171.1	-18.4	30.1	0	0	0	111.2	G72	P70-G72 PolarHBondContact O-N 2.77Å
71	E	47.3	Very low	52.3	Low	207 Å²	207	121.8 Å²	121.8	97%	0.967	68%	0.682	S	S	*	*	S	Bend	trans	-52.6	111	178.8	-71.7	179.2	154.2	0	0	111.7
72	G	48.2	Very low	52.4	Low	63 Å²	63	116.2 Å²	116.2	65%	0.649	68%	0.675	S	S	*	*			trans	153.1	66	172.6	0	0	0	0	0	114.7	P70	P70-G72 PolarHBondContact O-N 2.77Å
73	Q	40.2	Very low	52.2	Low	190 Å²	190	117.4 Å²	117.4	89%	0.888	68%	0.679	S	S	*	*			trans	-177.6	99.7	146.9	-101.4	165.1	22.9	0	0	109.4	E75	Q73-E75 PolarHBondContact O-N 3.37Å
74	A	44.5	Very low	52.4	Low	108 Å²	108	117.4 Å²	117.4	89%	0.893	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	83.3	178.2	0	0	0	0	0	110.1
75	E	45.1	Very low	53	Low	197 Å²	197	123 Å²	123	92%	0.921	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.2	-4.2	155.9	-111.6	170.4	-157.1	0	0	114.8	Q73	Q73-E75 PolarHBondContact O-N 3.37Å
76	A	48.3	Very low	53.4	Low	75 Å²	75	119.6 Å²	119.6	62%	0.62	68%	0.679	S	S	*	*	S	Bend	trans	-99.2	14.5	176.9	0	0	0	0	0	115.1
77	G	49.9	Very low	54.1	Low	56 Å²	56	120 Å²	120	58%	0.577	67%	0.674	S	S	*	*	H	α-helix	trans	-76.4	-29.8	-166.8	0	0	0	0	0	116.7	A81	G77-A81 WeakPolarHBondContact O-CB 3.37Å; G77-A81 PolarHBondContact O-N 2.8Å
78	S	52.5	Low	54.9	Low	105 Å²	105	118.7 Å²	118.7	73%	0.734	66%	0.664	S	S	*	*	H	α-helix	trans	-82.4	-35.2	-173.2	82.9	0	0	0	0	113.4	G82	S78-G82 PolarHBondContact O-N 2.66Å
79	L	51.1	Low	56.1	Low	129 Å²	129	113.2 Å²	113.2	68%	0.675	65%	0.651	S	S	*	*	H	α-helix	trans	-74.5	-37.4	-178.7	-135.3	92.5	0	0	0	112.2	R83	L79-R83 PolarHBondContact O-N 3.18Å
80	A	55.4	Low	57.1	Low	61 Å²	61	111.9 Å²	111.9	50%	0.504	64%	0.641	S	S	.	*	H	α-helix	trans	-70.3	-41.8	177.8	0	0	0	0	0	111.7	G82 R83 L84	A80-G82 VanDerWaalsContact C-N 3.34Å; A80-G82 PolarHBondContact O-N 3.19Å; A80-R83 PolarHBondContact O-N 2.96Å; A80-L84 WeakPolarHBondContact O-CB 3.38Å; A80-L84 PolarHBondContact O-N 3.3Å
81	A	58.1	Low	58	Low	49 Å²	49	110.2 Å²	110.2	41%	0.405	63%	0.626	S	S	.	*	H	α-helix	trans	-64.2	-36.5	175.8	0	0	0	0	0	112.7	G77 L84 R85	G77-A81 WeakPolarHBondContact O-CB 3.37Å; G77-A81 PolarHBondContact O-N 2.8Å; A81-L84 PolarHBondContact O-N 3.36Å; A81-R85 PolarHBondContact O-N 2.73Å
82	G	66.6	Low	59.2	Low	44 Å²	44	103.8 Å²	103.8	45%	0.454	60%	0.601	S	S	.	*	H	α-helix	trans	-65.9	-42.2	175.5	0	0	0	0	0	113.3	S78 A80 S86	S78-G82 PolarHBondContact O-N 2.66Å; A80-G82 VanDerWaalsContact C-N 3.34Å; A80-G82 PolarHBondContact O-N 3.19Å; G82-S86 WeakPolarHBondContact O-CB 3.4Å; G82-S86 PolarHBondContact O-N 3.37Å; G82-S86 VanDerWaalsContact O-N 3.08Å
83	R	64.8	Low	60.2	Low	181 Å²	181	108.7 Å²	108.7	68%	0.683	60%	0.599	S	S	*	*	H	α-helix	trans	-67.2	-38.1	173.9	-83.1	-179.2	176.3	170.6	-0.2	112.5	L79 A80 S86 L87	L79-R83 PolarHBondContact O-N 3.18Å; A80-R83 PolarHBondContact O-N 2.96Å; R83-S86 PolarHBondContact O-N 3.27Å; R83-L87 WeakPolarHBondContact O-CB 3.2Å; R83-L87 WeakPolarHBondContact O-CG 3.45Å; R83-L87 PolarHBondContact O-N 3.02Å
84	L	64.1	Low	61.5	Low	110 Å²	110	101.8 Å²	101.8	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-63.8	-45.5	178.1	-144.6	105.5	0	0	0	111.4	A80 A81 S86 L87 E88	A80-L84 WeakPolarHBondContact O-CB 3.38Å; A80-L84 PolarHBondContact O-N 3.3Å; A81-L84 PolarHBondContact O-N 3.36Å; L84-S86 PolarHBondContact O-N 2.84Å; L84-L87 PolarHBondContact O-N 2.96Å; L84-E88 WeakPolarHBondContact O-CG 3.41Å; L84-E88 PolarHBondContact O-N 2.85Å
85	R	70.1	Confident	62.4	Low	181 Å²	181	102.5 Å²	102.5	68%	0.683	56%	0.558	S	S	*	*	H	α-helix	trans	-61.8	-41.6	174.3	-77.9	-179.9	-179.8	169.9	0.7	112.6	A81 L87 E88 D89	A81-R85 PolarHBondContact O-N 2.73Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.26Å; R85-E88 PolarHBondContact O-N 3.47Å; R85-D89 WeakPolarHBondContact O-CB 3.33Å; R85-D89 PolarHBondContact O-N 2.92Å
86	S	69.6	Low	63.3	Low	57 Å²	57	99.2 Å²	99.2	40%	0.399	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.2	179.1	0	0	0	0	112.2	G82 R83 L84 Q90	G82-S86 WeakPolarHBondContact O-CB 3.4Å; G82-S86 PolarHBondContact O-N 3.37Å; G82-S86 VanDerWaalsContact O-N 3.08Å; R83-S86 PolarHBondContact O-N 3.27Å; L84-S86 PolarHBondContact O-N 2.84Å; S86-Q90 WeakPolarHBondContact O-CB 3.39Å; S86-Q90 VanDerWaalsContact O-CG 3.26Å; S86-Q90 WeakPolarHBondContact O-CG 3.44Å; S86-Q90 PolarHBondContact O-N 3.26Å
87	L	66.8	Low	63.8	Low	104 Å²	104	101.1 Å²	101.1	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-69.7	-37.9	176	-79.3	161.7	0	0	0	112.2	R83 L84 R85 Q90 L91	R83-L87 WeakPolarHBondContact O-CB 3.2Å; R83-L87 WeakPolarHBondContact O-CG 3.45Å; R83-L87 PolarHBondContact O-N 3.02Å; L84-L87 PolarHBondContact O-N 2.96Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.26Å; L87-Q90 PolarHBondContact O-N 2.87Å; L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 PolarHBondContact O-N 3.2Å
88	E	68.8	Low	64.2	Low	105 Å²	105	103.2 Å²	103.2	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-42.7	172.9	-79.6	180	154.7	0	0	112	L84 R85 L91 T92	L84-E88 WeakPolarHBondContact O-CG 3.41Å; L84-E88 PolarHBondContact O-N 2.85Å; R85-E88 PolarHBondContact O-N 3.47Å; E88-L91 PolarHBondContact O-N 3.36Å; E88-T92 WeakPolarHBondContact O-CB 3.44Å; E88-T92 PolarHBondContact O-N 3.46Å; E88-T92 PolarHBondContact O-OG1 3.14Å
89	D	72.8	Confident	64.3	Low	99 Å²	99	103.9 Å²	103.9	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175	-83.1	-17.1	0	0	0	111.5	R85 T92 R93	R85-D89 WeakPolarHBondContact O-CB 3.33Å; R85-D89 PolarHBondContact O-N 2.92Å; D89-T92 PolarHBondContact O-N 3.17Å; D89-R93 WeakPolarHBondContact O-CB 3.41Å; D89-R93 VanDerWaalsContact O-CG 3.28Å; D89-R93 WeakPolarHBondContact O-CG 3.44Å; D89-R93 PolarHBondContact O-N 3.41Å
90	Q	69.3	Low	64.4	Low	116 Å²	116	98.8 Å²	98.8	54%	0.542	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175.4	-75.4	178	7.6	0	0	111.9	S86 L87 T92 R93 A94	S86-Q90 WeakPolarHBondContact O-CB 3.39Å; S86-Q90 VanDerWaalsContact O-CG 3.26Å; S86-Q90 WeakPolarHBondContact O-CG 3.44Å; S86-Q90 PolarHBondContact O-N 3.26Å; L87-Q90 PolarHBondContact O-N 2.87Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; Q90-R93 PolarHBondContact O-N 3.4Å; Q90-A94 VanDerWaalsContact O-CB 3.3Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 2.72Å
91	L	64.4	Low	64.3	Low	78 Å²	78	101.3 Å²	101.3	41%	0.408	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-39.7	176.8	-173.4	74	0	0	0	111.4	L87 E88 A94 K95	L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 PolarHBondContact O-N 3.2Å; E88-L91 PolarHBondContact O-N 3.36Å; L91-A94 PolarHBondContact O-N 3.03Å; L91-K95 WeakPolarHBondContact O-CB 3.48Å; L91-K95 WeakPolarHBondContact O-CG 3.42Å; L91-K95 PolarHBondContact O-N 3.41Å
92	T	71.8	Confident	63.9	Low	71 Å²	71	104.9 Å²	104.9	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-44.2	179	-54.5	0	0	0	0	110.7	E88 D89 Q90 A94 K95 Q96	E88-T92 WeakPolarHBondContact O-CB 3.44Å; E88-T92 PolarHBondContact O-N 3.46Å; E88-T92 PolarHBondContact O-OG1 3.14Å; D89-T92 PolarHBondContact O-N 3.17Å; Q90-T92 VanDerWaalsContact C-N 3.34Å; T92-A94 PolarHBondContact O-N 3.07Å; T92-K95 PolarHBondContact O-N 3.42Å; T92-Q96 WeakPolarHBondContact O-CG 3.28Å; T92-Q96 PolarHBondContact O-N 2.94Å
93	R	70.2	Confident	63.2	Low	166 Å²	166	106.1 Å²	106.1	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-63.1	-40.7	173.2	-70.6	176.4	-172.2	-143.1	3.4	112.2	D89 Q90 Q96 K97	D89-R93 WeakPolarHBondContact O-CB 3.41Å; D89-R93 VanDerWaalsContact O-CG 3.28Å; D89-R93 WeakPolarHBondContact O-CG 3.44Å; D89-R93 PolarHBondContact O-N 3.41Å; Q90-R93 PolarHBondContact O-N 3.4Å; R93-Q96 PolarHBondContact O-N 2.95Å; R93-K97 WeakPolarHBondContact O-CG 3.36Å; R93-K97 PolarHBondContact O-N 3.49Å
94	A	66.5	Low	62.7	Low	45 Å²	45	101.9 Å²	101.9	37%	0.372	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-42.3	176.8	0	0	0	0	0	111.8	Q90 L91 T92 K97 I98	Q90-A94 VanDerWaalsContact O-CB 3.3Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 2.72Å; L91-A94 PolarHBondContact O-N 3.03Å; T92-A94 PolarHBondContact O-N 3.07Å; A94-K97 PolarHBondContact O-N 2.98Å; A94-I98 VanDerWaalsContact O-CG1 3.29Å; A94-I98 WeakPolarHBondContact O-CG1 3.17Å; A94-I98 PolarHBondContact O-N 3.35Å
95	K	63.3	Low	62	Low	124 Å²	124	102.2 Å²	102.2	54%	0.539	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-42.8	174.2	-78.9	178.6	178.1	177.9	0	112.4	L91 T92 K97 I98 H99	L91-K95 WeakPolarHBondContact O-CB 3.48Å; L91-K95 WeakPolarHBondContact O-CG 3.42Å; L91-K95 PolarHBondContact O-N 3.41Å; T92-K95 PolarHBondContact O-N 3.42Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K95-I98 PolarHBondContact O-N 3.46Å; K95-H99 WeakPolarHBondContact O-CB 3.25Å; K95-H99 PolarHBondContact O-N 2.7Å
96	Q	65.7	Low	61.3	Low	128 Å²	128	96.6 Å²	96.6	60%	0.598	50%	0.497	S	S	*	.	H	α-helix	trans	-61.8	-42.3	175.7	-78.5	176.1	-24.1	0	0	111.8	T92 R93 H99 S100	T92-Q96 WeakPolarHBondContact O-CG 3.28Å; T92-Q96 PolarHBondContact O-N 2.94Å; R93-Q96 PolarHBondContact O-N 2.95Å; Q96-H99 PolarHBondContact O-N 3.18Å; Q96-S100 PolarHBondContact O-N 2.87Å; Q96-S100 PolarHBondContact O-OG 3.38Å
97	K	58.5	Low	61	Low	114 Å²	114	101.2 Å²	101.2	50%	0.496	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-44.2	174.1	-75.4	-177.6	177.3	-173.4	0	112.4	R93 A94 K95 H99 S100 F101	R93-K97 WeakPolarHBondContact O-CG 3.36Å; R93-K97 PolarHBondContact O-N 3.49Å; A94-K97 PolarHBondContact O-N 2.98Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K97-H99 VanDerWaalsContact C-N 3.3Å; K97-H99 PolarHBondContact O-N 2.92Å; K97-S100 PolarHBondContact O-N 3.35Å; K97-S100 PolarHBondContact O-OG 2.68Å; K97-F101 WeakPolarHBondContact O-CD2 3.41Å; K97-F101 PolarHBondContact O-N 3.32Å
98	I	57	Low	61.2	Low	100 Å²	100	98.8 Å²	98.8	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-42	177.6	-69.8	165.5	0	0	0	110.6	A94 K95 F101 Q102	A94-I98 VanDerWaalsContact O-CG1 3.29Å; A94-I98 WeakPolarHBondContact O-CG1 3.17Å; A94-I98 PolarHBondContact O-N 3.35Å; K95-I98 PolarHBondContact O-N 3.46Å; I98-F101 PolarHBondContact O-N 2.86Å; I98-Q102 WeakPolarHBondContact O-CG 3.44Å; I98-Q102 PolarHBondContact O-N 3.31Å
99	H	54.9	Low	61.9	Low	119 Å²	119	97.8 Å²	97.8	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-68	-36.7	178.6	-166.8	-66.8	0	0	0	112.3	K95 Q96 K97 Q102 K103	K95-H99 WeakPolarHBondContact O-CB 3.25Å; K95-H99 PolarHBondContact O-N 2.7Å; Q96-H99 PolarHBondContact O-N 3.18Å; K97-H99 VanDerWaalsContact C-N 3.3Å; K97-H99 PolarHBondContact O-N 2.92Å; H99-Q102 PolarHBondContact O-N 3Å; H99-K103 WeakPolarHBondContact O-CB 3.24Å; H99-K103 PolarHBondContact O-N 2.8Å; H99-K103 VanDerWaalsContact O-N 3.1Å
100	S	54.7	Low	62.6	Low	22 Å²	22	93.4 Å²	93.4	15%	0.154	50%	0.498	C	S	.	.	H	α-helix	trans	-66.6	-40.5	174.2	66.4	0	0	0	0	111.6	Q96 K97 K103 L104	Q96-S100 PolarHBondContact O-N 2.87Å; Q96-S100 PolarHBondContact O-OG 3.38Å; K97-S100 PolarHBondContact O-N 3.35Å; K97-S100 PolarHBondContact O-OG 2.68Å; S100-K103 PolarHBondContact O-N 2.96Å; S100-L104 PolarHBondContact O-N 3.4Å
101	F	52.3	Low	63.7	Low	114 Å²	114	91.6 Å²	91.6	50%	0.5	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-39.3	173.8	-82	-64.5	0	0	0	113.2	K97 I98 K103 L104	K97-F101 WeakPolarHBondContact O-CD2 3.41Å; K97-F101 PolarHBondContact O-N 3.32Å; I98-F101 PolarHBondContact O-N 2.86Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-L104 PolarHBondContact O-N 3.18Å
102	Q	49.8	Very low	65.1	Low	125 Å²	125	91 Å²	91	58%	0.584	50%	0.496	S	S	*	.	H	α-helix	trans	-64.4	-38.3	175.6	-79	176.2	-34.9	0	0	112.1	I98 H99 L104 T105	I98-Q102 WeakPolarHBondContact O-CG 3.44Å; I98-Q102 PolarHBondContact O-N 3.31Å; H99-Q102 PolarHBondContact O-N 3Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 2.83Å; Q102-T105 PolarHBondContact O-N 3.36Å; Q102-T105 VanDerWaalsContact O-N 3.13Å; Q102-T105 PolarHBondContact O-OG1 2.74Å
103	K	52	Low	66.2	Low	70 Å²	70	91 Å²	91	30%	0.304	49%	0.491	S	S	.	.	H	α-helix	trans	-65.9	-32.6	-179.6	-139.5	-179.9	-176.8	-176.1	0	113.1	H99 S100 F101 T105 D175	H99-K103 WeakPolarHBondContact O-CB 3.24Å; H99-K103 PolarHBondContact O-N 2.8Å; H99-K103 VanDerWaalsContact O-N 3.1Å; S100-K103 PolarHBondContact O-N 2.96Å; F101-K103 VanDerWaalsContact C-N 3.34Å; K103-T105 PolarHBondContact O-N 3.18Å; K103-D175 IonicContact NZ-OD1 3.45Å; K103-D175 PolarHBondContact NZ-OD1 3.3Å
104	L	53.9	Low	67.4	Low	91 Å²	91	85.4 Å²	85.4	48%	0.476	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.6	174.7	-86.7	150	0	0	0	113.7	S100 F101 Q102	S100-L104 PolarHBondContact O-N 3.4Å; F101-L104 PolarHBondContact O-N 3.18Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 2.83Å
105	T	50.8	Low	68.8	Low	118 Å²	118	89.2 Å²	89.2	72%	0.724	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	7.6	-167.6	52.6	0	0	0	0	116.7	Q102 K103	Q102-T105 PolarHBondContact O-N 3.36Å; Q102-T105 VanDerWaalsContact O-N 3.13Å; Q102-T105 PolarHBondContact O-OG1 2.74Å; K103-T105 PolarHBondContact O-N 3.18Å
106	G	54.6	Low	70.4	Confident	63 Å²	63	84.2 Å²	84.2	65%	0.649	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171.9	-23.8	177.6	0	0	0	0	0	122.1
107	D	63.3	Low	72	Confident	153 Å²	153	82.8 Å²	82.8	82%	0.818	45%	0.45	S	S	*	.	S	Bend	trans	-109.5	25.1	-163.2	-73.2	-23.2	0	0	0	115.6
108	G	70.8	Confident	73.9	Confident	54 Å²	54	83.4 Å²	83.4	56%	0.557	45%	0.45	S	S	*	.			trans	78.7	-169.5	179.1	0	0	0	0	0	114.2
109	P	83.7	Confident	75.8	Confident	84 Å²	84	83.7 Å²	83.7	55%	0.545	45%	0.447	S	S	.	.	S	Bend	trans	-68	147.3	-176	28.8	-34.2	0	0	0	111.7	E114	P109-E114 HydrophobicContact CB-CG 4.08Å; P109-E114 HydrophobicContact CG-CG 3.99Å
110	G	87.8	Confident	77.9	Confident	6 Å²	6	79 Å²	79	6%	0.062	43%	0.427	C	S	.	.			trans	-68	150.6	-179.7	0	0	0	0	0	113.2	T112 Q113 E114 D175	G110-T112 PolarHBondContact O-N 2.74Å; G110-Q113 WeakPolarHBondContact O-CB 3.4Å; G110-Q113 PolarHBondContact O-N 2.62Å; G110-E114 PolarHBondContact O-N 3.15Å; G110-D175 WeakPolarHBondContact CA-OD2 3.17Å
111	P	91.8	Very high	80	Confident	79 Å²	79	81.8 Å²	81.8	51%	0.513	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-40.1	-178.6	26.4	-33	0	0	0	112.5	E114 E115	P111-E114 PolarHBondContact O-N 3.45Å; P111-E115 WeakPolarHBondContact O-CB 3.5Å; P111-E115 PolarHBondContact O-N 3.36Å
112	T	94.2	Very high	82.2	Confident	65 Å²	65	80.4 Å²	80.4	40%	0.399	44%	0.435	S	S	.	.	H	α-helix	trans	-67.7	-41.4	179	-53.3	0	0	0	0	110.7	G110 E114 E115 L116 A174 D175	G110-T112 PolarHBondContact O-N 2.74Å; T112-E114 PolarHBondContact O-N 2.87Å; T112-E115 PolarHBondContact O-N 3.31Å; T112-L116 HydrophobicContact CG2-CD1 3.86Å; T112-L116 WeakPolarHBondContact O-CB 3.3Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 3.48Å; T112-A174 HydrophobicContact CG2-CB 4.09Å; T112-D175 WeakPolarHBondContact CB-OD2 3.24Å; T112-D175 PolarHBondContact N-OD2 2.76Å
113	Q	93.8	Very high	84.5	Confident	70 Å²	70	75.5 Å²	75.5	33%	0.327	42%	0.418	S	S	.	.	H	α-helix	trans	-57.1	-48.9	174	-174.1	-178	4.8	0	0	111.5	G110 L116 R117 L171 A174 D175	G110-Q113 WeakPolarHBondContact O-CB 3.4Å; G110-Q113 PolarHBondContact O-N 2.62Å; Q113-L116 PolarHBondContact O-N 3.12Å; Q113-R117 VanDerWaalsContact O-CB 3.32Å; Q113-R117 WeakPolarHBondContact O-CB 3.47Å; Q113-R117 PolarHBondContact O-N 3.46Å; Q113-L171 HydrophobicContact CB-CD1 4.35Å; Q113-L171 HydrophobicContact CG-CD1 3.68Å; Q113-L171 VanDerWaalsContact O-CD1 3.27Å; Q113-L171 WeakPolarHBondContact O-CD1 3.47Å; Q113-A174 HydrophobicContact CB-CB 4.34Å; Q113-D175 PolarHBondContact N-OD2 2.95Å
114	E	95.4	Very high	86.7	Confident	50 Å²	50	75.9 Å²	75.9	23%	0.234	43%	0.426	C	S	.	.	H	α-helix	trans	-69.1	-33.8	-179.5	-83.1	-54.5	115	0	0	113.6	P109 G110 P111 T112 R117 R118	P109-E114 HydrophobicContact CB-CG 4.08Å; P109-E114 HydrophobicContact CG-CG 3.99Å; G110-E114 PolarHBondContact O-N 3.15Å; P111-E114 PolarHBondContact O-N 3.45Å; T112-E114 PolarHBondContact O-N 2.87Å; E114-R117 IonicContact OE1-NE 3.94Å; E114-R117 PolarHBondContact OE1-NE 3.2Å; E114-R117 IonicContact OE2-CZ 2.68Å; E114-R117 IonicContact OE2-NE 2.74Å; E114-R117 PolarHBondContact OE2-NE 2.98Å; E114-R117 IonicContact OE2-NH2 3.32Å; E114-R117 PolarHBondContact OE2-NH2 3.45Å; E114-R118 WeakPolarHBondContact O-CG 3.32Å; E114-R118 VanDerWaalsContact O-CZ 3.24Å; E114-R118 PolarHBondContact O-N 3Å; E114-R118 VanDerWaalsContact O-N 3.15Å; E114-R118 PolarHBondContact O-NH1 3.03Å; E114-R118 IonicContact OE2-NH1 3Å
115	E	97.1	Very high	88.8	Confident	125 Å²	125	75.7 Å²	75.7	58%	0.584	42%	0.421	S	S	*	.	H	α-helix	trans	-62.5	-52	172.3	-175.4	-176.9	159.8	0	0	111.3	P111 T112 R117 R118 K119	P111-E115 WeakPolarHBondContact O-CB 3.5Å; P111-E115 PolarHBondContact O-N 3.36Å; T112-E115 PolarHBondContact O-N 3.31Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 3.02Å; E115-R118 PolarHBondContact O-N 3.19Å; E115-K119 WeakPolarHBondContact O-CB 3.49Å; E115-K119 PolarHBondContact O-N 3.2Å
116	L	97.6	Very high	91.1	Very high	19 Å²	19	74.7 Å²	74.7	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-64	-38.4	179.7	-72	166.2	0	0	0	111.7	T112 Q113 R118 K119 V120 L171 A174	T112-L116 HydrophobicContact CG2-CD1 3.86Å; T112-L116 WeakPolarHBondContact O-CB 3.3Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 3.48Å; Q113-L116 PolarHBondContact O-N 3.12Å; L116-R118 PolarHBondContact O-N 2.93Å; L116-K119 WeakPolarHBondContact O-CB 3.39Å; L116-K119 PolarHBondContact O-N 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.33Å; L116-V120 PolarHBondContact O-N 3.32Å; L116-L171 HydrophobicContact CB-CB 4.06Å; L116-L171 HydrophobicContact CB-CD1 3.91Å; L116-L171 HydrophobicContact CD1-CB 4.48Å; L116-A174 HydrophobicContact CD1-CB 4.11Å
117	R	97.8	Very high	93.1	Very high	97 Å²	97	74.7 Å²	74.7	37%	0.366	39%	0.391	S	S	.	.	H	α-helix	trans	-57.2	-48.9	174.1	-172	-159.5	65.7	68.6	-5	111.5	Q113 E114 E115 K119 E121	Q113-R117 VanDerWaalsContact O-CB 3.32Å; Q113-R117 WeakPolarHBondContact O-CB 3.47Å; Q113-R117 PolarHBondContact O-N 3.46Å; E114-R117 IonicContact OE1-NE 3.94Å; E114-R117 PolarHBondContact OE1-NE 3.2Å; E114-R117 IonicContact OE2-CZ 2.68Å; E114-R117 IonicContact OE2-NE 2.74Å; E114-R117 PolarHBondContact OE2-NE 2.98Å; E114-R117 IonicContact OE2-NH2 3.32Å; E114-R117 PolarHBondContact OE2-NH2 3.45Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 3.02Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-E121 IonicContact CZ-OE2 3.28Å; R117-E121 IonicContact NH1-OE2 3.82Å; R117-E121 PolarHBondContact NH1-OE2 2.74Å; R117-E121 WeakPolarHBondContact O-CB 3.45Å; R117-E121 PolarHBondContact O-N 3.04Å
118	R	98.2	Very high	94.8	Very high	128 Å²	128	74.7 Å²	74.7	48%	0.483	38%	0.379	S	S	.	.	H	α-helix	trans	-66	-36.1	176.7	-74.8	-174.3	-68.3	-84.6	-1.2	112.1	E114 E115 L116 E121 N122	E114-R118 WeakPolarHBondContact O-CG 3.32Å; E114-R118 VanDerWaalsContact O-CZ 3.24Å; E114-R118 PolarHBondContact O-N 3Å; E114-R118 VanDerWaalsContact O-N 3.15Å; E114-R118 PolarHBondContact O-NH1 3.03Å; E114-R118 IonicContact OE2-NH1 3Å; E115-R118 PolarHBondContact O-N 3.19Å; L116-R118 PolarHBondContact O-N 2.93Å; R118-E121 PolarHBondContact O-N 2.54Å; R118-N122 WeakPolarHBondContact O-CB 3.12Å; R118-N122 PolarHBondContact O-N 3.33Å
119	K	97.9	Very high	96.1	Very high	105 Å²	105	77.4 Å²	77.4	46%	0.457	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-45.5	177.6	-168.1	-178.2	177.5	-157.3	0	111.7	E115 L116 R117 N122 G123 D167	E115-K119 WeakPolarHBondContact O-CB 3.49Å; E115-K119 PolarHBondContact O-N 3.2Å; L116-K119 WeakPolarHBondContact O-CB 3.39Å; L116-K119 PolarHBondContact O-N 3.28Å; R117-K119 VanDerWaalsContact C-N 3.33Å; K119-N122 PolarHBondContact O-N 3.38Å; K119-G123 PolarHBondContact O-N 3.02Å; K119-D167 WeakPolarHBondContact CD-OD2 3.44Å; K119-D167 WeakPolarHBondContact CE-OD2 3.41Å; K119-D167 WeakPolarHBondContact CG-OD2 3.39Å; K119-D167 VanDerWaalsContact NZ-CG 3.32Å; K119-D167 IonicContact NZ-OD1 3.57Å; K119-D167 PolarHBondContact NZ-OD1 3.49Å; K119-D167 IonicContact NZ-OD2 2.89Å; K119-D167 PolarHBondContact NZ-OD2 3.39Å; K119-D167 VanDerWaalsContact NZ-OD2 3.14Å
120	V	98.5	Very high	96.8	Very high	21 Å²	21	75.6 Å²	75.6	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-47.5	172.8	169.3	0	0	0	0	110.5	L116 N122 G123 V124 I164 D167 L168	L116-V120 WeakPolarHBondContact O-CG2 3.33Å; L116-V120 PolarHBondContact O-N 3.32Å; V120-N122 VanDerWaalsContact C-N 3.32Å; V120-N122 PolarHBondContact O-N 3.18Å; V120-G123 PolarHBondContact O-N 2.97Å; V120-V124 WeakPolarHBondContact O-CG2 3.37Å; V120-V124 PolarHBondContact O-N 3.39Å; V120-I164 HydrophobicContact CG1-CG2 4.21Å; V120-D167 HydrophobicContact CG2-CB 3.78Å; V120-L168 HydrophobicContact CG1-CD2 3.94Å; V120-L168 HydrophobicContact CG1-CG 4.19Å; V120-L168 HydrophobicContact CG2-CD2 4.05Å; V120-L168 HydrophobicContact CG2-CG 4.02Å
121	E	98.5	Very high	97.2	Very high	80 Å²	80	76.6 Å²	76.6	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-57.6	-45.1	178.1	-172.1	-170.3	151.5	0	0	111.9	R117 R118 K125	R117-E121 IonicContact CZ-OE2 3.28Å; R117-E121 IonicContact NH1-OE2 3.82Å; R117-E121 PolarHBondContact NH1-OE2 2.74Å; R117-E121 WeakPolarHBondContact O-CB 3.45Å; R117-E121 PolarHBondContact O-N 3.04Å; R118-E121 PolarHBondContact O-N 2.54Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.39Å; E121-K125 WeakPolarHBondContact OE1-CE 3.23Å; E121-K125 IonicContact OE1-NZ 3.82Å; E121-K125 PolarHBondContact OE1-NZ 2.91Å
122	N	98.4	Very high	97.5	Very high	86 Å²	86	78.4 Å²	78.4	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-41.5	176.4	-166.9	70.7	0	0	0	112	R118 K119 V120 V124 K125 E126	R118-N122 WeakPolarHBondContact O-CB 3.12Å; R118-N122 PolarHBondContact O-N 3.33Å; K119-N122 PolarHBondContact O-N 3.38Å; V120-N122 VanDerWaalsContact C-N 3.32Å; V120-N122 PolarHBondContact O-N 3.18Å; N122-V124 VanDerWaalsContact C-N 3.32Å; N122-V124 PolarHBondContact O-N 3.09Å; N122-K125 WeakPolarHBondContact O-CB 3.3Å; N122-K125 PolarHBondContact O-N 3.45Å; N122-K125 VanDerWaalsContact O-N 3.13Å; N122-E126 WeakPolarHBondContact O-CG 3.11Å; N122-E126 PolarHBondContact O-N 2.96Å
123	G	98.3	Very high	97.6	Very high	21 Å²	21	77.5 Å²	77.5	22%	0.216	36%	0.355	C	S	.	.	H	α-helix	trans	-57.3	-44.1	176.4	0	0	0	0	0	112.3	K119 V120 E126 F127	K119-G123 PolarHBondContact O-N 3.02Å; V120-G123 PolarHBondContact O-N 2.97Å; G123-E126 PolarHBondContact O-N 3.36Å; G123-F127 VanDerWaalsContact O-CB 3.24Å; G123-F127 WeakPolarHBondContact O-CB 3.41Å; G123-F127 PolarHBondContact O-N 3.3Å
124	V	98.4	Very high	97.7	Very high	78 Å²	78	75.1 Å²	75.1	47%	0.473	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175.7	174.6	0	0	0	0	111.9	V120 N122 W128 I164	V120-V124 WeakPolarHBondContact O-CG2 3.37Å; V120-V124 PolarHBondContact O-N 3.39Å; N122-V124 VanDerWaalsContact C-N 3.32Å; N122-V124 PolarHBondContact O-N 3.09Å; V124-W128 PolarHBondContact O-N 3.16Å; V124-I164 HydrophobicContact CG2-CD1 4.22Å; V124-I164 HydrophobicContact CG2-CG2 4.23Å
125	K	98.4	Very high	97.6	Very high	88 Å²	88	76.7 Å²	76.7	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-48.8	175.6	-72.7	171.6	-173.3	168.3	0	111.6	E121 N122 W128 Y129	E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.39Å; E121-K125 WeakPolarHBondContact OE1-CE 3.23Å; E121-K125 IonicContact OE1-NZ 3.82Å; E121-K125 PolarHBondContact OE1-NZ 2.91Å; N122-K125 WeakPolarHBondContact O-CB 3.3Å; N122-K125 PolarHBondContact O-N 3.45Å; N122-K125 VanDerWaalsContact O-N 3.13Å; K125-W128 PolarHBondContact O-N 3.18Å; K125-Y129 HydrophobicContact CB-CE2 4.46Å; K125-Y129 VanDerWaalsContact O-CG 3.27Å; K125-Y129 PolarHBondContact O-N 3.49Å
126	E	98.4	Very high	97.5	Very high	97 Å²	97	77.2 Å²	77.2	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-40.6	178.5	-68.2	-54.8	146.7	0	0	111.8	N122 G123 W128 Y129 F130	N122-E126 WeakPolarHBondContact O-CG 3.11Å; N122-E126 PolarHBondContact O-N 2.96Å; G123-E126 PolarHBondContact O-N 3.36Å; E126-W128 VanDerWaalsContact C-N 3.3Å; E126-W128 PolarHBondContact O-N 2.65Å; E126-Y129 PolarHBondContact O-N 2.81Å; E126-F130 WeakPolarHBondContact O-CB 3.11Å; E126-F130 PolarHBondContact O-N 3.14Å
127	F	98	Very high	97.3	Very high	62 Å²	62	83 Å²	83	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-55.4	-47	172.2	-179.1	-93.9	0	0	0	111.2	G123 F130 V131 L157 Q160 I164	G123-F127 VanDerWaalsContact O-CB 3.24Å; G123-F127 WeakPolarHBondContact O-CB 3.41Å; G123-F127 PolarHBondContact O-N 3.3Å; F127-F130 PolarHBondContact O-N 3.42Å; F127-V131 HydrophobicContact CD1-CG2 4.07Å; F127-V131 HydrophobicContact CE1-CG2 3.73Å; F127-V131 HydrophobicContact CE2-CG2 4.46Å; F127-V131 HydrophobicContact CZ-CG2 3.95Å; F127-V131 VanDerWaalsContact O-CG2 3.28Å; F127-V131 WeakPolarHBondContact O-CG2 3.32Å; F127-V131 PolarHBondContact O-N 3.01Å; F127-L157 HydrophobicContact CD2-CD2 4.18Å; F127-L157 HydrophobicContact CE2-CB 4.27Å; F127-L157 HydrophobicContact CE2-CD2 3.55Å; F127-L157 HydrophobicContact CZ-CD2 3.88Å; F127-Q160 HydrophobicContact CD2-CB 3.85Å; F127-Q160 HydrophobicContact CE2-CB 4.44Å; F127-I164 HydrophobicContact CB-CD1 4.12Å; F127-I164 HydrophobicContact CG-CD1 4.49Å
128	W	98.3	Very high	97	Very high	154 Å²	154	80.7 Å²	80.7	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-67.2	-39	177.7	180	-122.1	0	0	0	113.4	V124 K125 E126 F130 V131 R132	V124-W128 PolarHBondContact O-N 3.16Å; K125-W128 PolarHBondContact O-N 3.18Å; E126-W128 VanDerWaalsContact C-N 3.3Å; E126-W128 PolarHBondContact O-N 2.65Å; W128-F130 VanDerWaalsContact C-N 3.32Å; W128-F130 PolarHBondContact O-N 2.72Å; W128-V131 HydrophobicContact CE3-CB 4.32Å; W128-V131 HydrophobicContact CE3-CG1 4.25Å; W128-V131 HydrophobicContact CZ3-CG1 4.07Å; W128-R132 VanDerWaalsContact O-CB 3.24Å; W128-R132 WeakPolarHBondContact O-CB 3.16Å; W128-R132 PolarHBondContact O-N 2.86Å
129	Y	98.3	Very high	96.6	Very high	111 Å²	111	78.8 Å²	78.8	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-43.9	174.2	-65.5	-22.5	0	0	0	111.7	K125 E126 S133	K125-Y129 HydrophobicContact CB-CE2 4.46Å; K125-Y129 VanDerWaalsContact O-CG 3.27Å; K125-Y129 PolarHBondContact O-N 3.49Å; E126-Y129 PolarHBondContact O-N 2.81Å; Y129-S133 WeakPolarHBondContact O-CB 3.38Å; Y129-S133 PolarHBondContact O-N 2.86Å
130	F	98	Very high	96.3	Very high	45 Å²	45	80.3 Å²	80.3	20%	0.197	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-54.3	177.3	-176.8	-108.6	0	0	0	111.6	E126 F127 W128 R132 S133 E134 L153 D156 L157	E126-F130 WeakPolarHBondContact O-CB 3.11Å; E126-F130 PolarHBondContact O-N 3.14Å; F127-F130 PolarHBondContact O-N 3.42Å; W128-F130 VanDerWaalsContact C-N 3.32Å; W128-F130 PolarHBondContact O-N 2.72Å; F130-R132 VanDerWaalsContact C-N 3.29Å; F130-R132 PolarHBondContact O-N 3.31Å; F130-S133 WeakPolarHBondContact O-CB 3.43Å; F130-S133 PolarHBondContact O-N 3.45Å; F130-E134 HydrophobicContact CD1-CG 4.4Å; F130-E134 HydrophobicContact CD2-CG 3.91Å; F130-E134 HydrophobicContact CE1-CG 4.1Å; F130-E134 HydrophobicContact CE2-CG 3.55Å; F130-E134 HydrophobicContact CG-CG 4.32Å; F130-E134 HydrophobicContact CZ-CG 3.66Å; F130-E134 WeakPolarHBondContact O-CG 3.5Å; F130-E134 PolarHBondContact O-N 2.89Å; F130-L153 HydrophobicContact CD1-CD1 4.47Å; F130-L153 HydrophobicContact CE1-CD1 3.64Å; F130-L153 HydrophobicContact CZ-CD1 4.01Å; F130-D156 HydrophobicContact CE1-CB 3.87Å; F130-D156 HydrophobicContact CZ-CB 3.8Å; F130-L157 HydrophobicContact CD1-CD2 3.71Å; F130-L157 HydrophobicContact CD1-CG 4.48Å; F130-L157 HydrophobicContact CE1-CD2 3.95Å; F130-L157 HydrophobicContact CE1-CG 4.22Å
131	V	97	Very high	95.9	Very high	28 Å²	28	80.3 Å²	80.3	17%	0.17	39%	0.392	C	S	.	.	H	α-helix	trans	-51.7	-49.4	176.6	169.2	0	0	0	0	111	F127 W128 S133 E134 V135 L157	F127-V131 HydrophobicContact CD1-CG2 4.07Å; F127-V131 HydrophobicContact CE1-CG2 3.73Å; F127-V131 HydrophobicContact CE2-CG2 4.46Å; F127-V131 HydrophobicContact CZ-CG2 3.95Å; F127-V131 VanDerWaalsContact O-CG2 3.28Å; F127-V131 WeakPolarHBondContact O-CG2 3.32Å; F127-V131 PolarHBondContact O-N 3.01Å; W128-V131 HydrophobicContact CE3-CB 4.32Å; W128-V131 HydrophobicContact CE3-CG1 4.25Å; W128-V131 HydrophobicContact CZ3-CG1 4.07Å; V131-S133 VanDerWaalsContact C-N 3.31Å; V131-S133 PolarHBondContact O-N 2.91Å; V131-E134 PolarHBondContact O-N 3.28Å; V131-V135 HydrophobicContact CG1-CG2 4.13Å; V131-V135 VanDerWaalsContact O-CB 3.29Å; V131-V135 WeakPolarHBondContact O-CB 3.32Å; V131-V135 WeakPolarHBondContact O-CG2 3.23Å; V131-V135 PolarHBondContact O-N 2.95Å; V131-L157 HydrophobicContact CG2-CD2 3.37Å
132	R	96.8	Very high	95.7	Very high	117 Å²	117	82.7 Å²	82.7	44%	0.442	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-35.8	-179.2	-175.5	-178.4	64.6	-176.9	-4.5	112.6	W128 F130 K136	W128-R132 VanDerWaalsContact O-CB 3.24Å; W128-R132 WeakPolarHBondContact O-CB 3.16Å; W128-R132 PolarHBondContact O-N 2.86Å; F130-R132 VanDerWaalsContact C-N 3.29Å; F130-R132 PolarHBondContact O-N 3.31Å; R132-K136 WeakPolarHBondContact O-CD 3.5Å; R132-K136 VanDerWaalsContact O-CG 3.25Å; R132-K136 WeakPolarHBondContact O-CG 3.28Å
133	S	96.9	Very high	95.3	Very high	45 Å²	45	83.2 Å²	83.2	32%	0.315	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-53.2	176.2	175.5	0	0	0	0	110.9	Y129 F130 V131 K136 R137	Y129-S133 WeakPolarHBondContact O-CB 3.38Å; Y129-S133 PolarHBondContact O-N 2.86Å; F130-S133 WeakPolarHBondContact O-CB 3.43Å; F130-S133 PolarHBondContact O-N 3.45Å; V131-S133 VanDerWaalsContact C-N 3.31Å; V131-S133 PolarHBondContact O-N 2.91Å; S133-K136 WeakPolarHBondContact O-CB 3.47Å; S133-K136 PolarHBondContact O-N 3.31Å; S133-R137 WeakPolarHBondContact O-CG 3.47Å; S133-R137 PolarHBondContact O-N 3.4Å
134	E	95.9	Very high	94.9	Very high	20 Å²	20	88.1 Å²	88.1	9%	0.093	43%	0.434	C	S	.	.	H	α-helix	trans	-72.7	-35.5	-172.1	-60.4	-53	106.8	0	0	112.4	F130 V131 K136 R137 L138 Y149 L153	F130-E134 HydrophobicContact CD1-CG 4.4Å; F130-E134 HydrophobicContact CD2-CG 3.91Å; F130-E134 HydrophobicContact CE1-CG 4.1Å; F130-E134 HydrophobicContact CE2-CG 3.55Å; F130-E134 HydrophobicContact CG-CG 4.32Å; F130-E134 HydrophobicContact CZ-CG 3.66Å; F130-E134 WeakPolarHBondContact O-CG 3.5Å; F130-E134 PolarHBondContact O-N 2.89Å; V131-E134 PolarHBondContact O-N 3.28Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.04Å; E134-R137 WeakPolarHBondContact O-CB 3.49Å; E134-R137 PolarHBondContact O-N 2.98Å; E134-R137 VanDerWaalsContact O-N 3.1Å; E134-R137 WeakPolarHBondContact OE1-CD 3.48Å; E134-R137 IonicContact OE1-CZ 3.87Å; E134-R137 IonicContact OE1-NE 3.7Å; E134-R137 IonicContact OE1-NH1 2.94Å; E134-R137 PolarHBondContact OE1-NH1 3.49Å; E134-R137 IonicContact OE2-NH1 3.12Å; E134-L138 WeakPolarHBondContact O-CB 3.47Å; E134-L138 PolarHBondContact O-N 3.36Å; E134-Y149 PolarHBondContact OE2-OH 3.33Å; E134-L153 HydrophobicContact CB-CD1 3.48Å; E134-L153 VanDerWaalsContact CB-CD1 3.48Å; E134-L153 HydrophobicContact CB-CD2 3.96Å; E134-L153 HydrophobicContact CB-CG 4.36Å; E134-L153 HydrophobicContact CG-CD1 3.77Å
135	V	94	Very high	94.7	Very high	83 Å²	83	89.8 Å²	89.8	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-62.6	-36.5	172.9	171	0	0	0	0	111.6	V131 L138	V131-V135 HydrophobicContact CG1-CG2 4.13Å; V131-V135 VanDerWaalsContact O-CB 3.29Å; V131-V135 WeakPolarHBondContact O-CB 3.32Å; V131-V135 WeakPolarHBondContact O-CG2 3.23Å; V131-V135 PolarHBondContact O-N 2.95Å; V135-L138 WeakPolarHBondContact O-CB 3.27Å; V135-L138 PolarHBondContact O-N 3.47Å
136	K	94.4	Very high	94.4	Very high	136 Å²	136	90.4 Å²	90.4	59%	0.591	44%	0.437	S	S	*	.	H	α-helix	trans	-70.8	-31.5	173.9	-74.3	177.9	-179.6	-173.1	0	112.6	R132 S133 E134 S139	R132-K136 WeakPolarHBondContact O-CD 3.5Å; R132-K136 VanDerWaalsContact O-CG 3.25Å; R132-K136 WeakPolarHBondContact O-CG 3.28Å; S133-K136 WeakPolarHBondContact O-CB 3.47Å; S133-K136 PolarHBondContact O-N 3.31Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.04Å; K136-S139 PolarHBondContact O-OG 3.24Å
137	R	93.2	Very high	94.2	Very high	141 Å²	141	91.9 Å²	91.9	53%	0.532	44%	0.444	S	S	.	.	H	α-helix	trans	-72.2	-36.9	175	-74.6	173.1	173.5	-176.7	-7.7	111.4	S133 E134 S139 N140 V141 Y149	S133-R137 WeakPolarHBondContact O-CG 3.47Å; S133-R137 PolarHBondContact O-N 3.4Å; E134-R137 WeakPolarHBondContact O-CB 3.49Å; E134-R137 PolarHBondContact O-N 2.98Å; E134-R137 VanDerWaalsContact O-N 3.1Å; E134-R137 WeakPolarHBondContact OE1-CD 3.48Å; E134-R137 IonicContact OE1-CZ 3.87Å; E134-R137 IonicContact OE1-NE 3.7Å; E134-R137 IonicContact OE1-NH1 2.94Å; E134-R137 PolarHBondContact OE1-NH1 3.49Å; E134-R137 IonicContact OE2-NH1 3.12Å; R137-S139 PolarHBondContact O-N 3.2Å; R137-S139 VanDerWaalsContact O-N 3.15Å; R137-N140 WeakPolarHBondContact O-CA 3.49Å; R137-N140 WeakPolarHBondContact O-CB 2.99Å; R137-N140 PolarHBondContact O-N 3.14Å; R137-V141 PolarHBondContact O-N 3.13Å; R137-Y149 WeakPolarHBondContact CB-OH 3.44Å
138	L	92.3	Very high	93.9	Very high	49 Å²	49	96.4 Å²	96.4	26%	0.257	46%	0.463	S	S	.	.	H	α-helix	trans	-54.2	-34.9	-179.4	-171.5	69.3	0	0	0	113.1	E134 V135 N140 V141 R146 Y149	E134-L138 WeakPolarHBondContact O-CB 3.47Å; E134-L138 PolarHBondContact O-N 3.36Å; V135-L138 WeakPolarHBondContact O-CB 3.27Å; V135-L138 PolarHBondContact O-N 3.47Å; L138-N140 PolarHBondContact O-N 3.26Å; L138-V141 PolarHBondContact O-N 2.91Å; L138-R146 HydrophobicContact CD1-CG 3.88Å; L138-Y149 HydrophobicContact CB-CE1 4.24Å; L138-Y149 HydrophobicContact CD1-CD1 3.48Å; L138-Y149 VanDerWaalsContact CD1-CD1 3.48Å; L138-Y149 HydrophobicContact CD1-CE1 3.86Å
139	S	87.9	Confident	93.8	Very high	88 Å²	88	91.7 Å²	91.7	62%	0.615	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.4	176.4	63.8	0	0	0	0	113.8	K136 R137	K136-S139 PolarHBondContact O-OG 3.24Å; R137-S139 PolarHBondContact O-N 3.2Å; R137-S139 VanDerWaalsContact O-N 3.15Å
140	N	92	Very high	93.6	Very high	136 Å²	136	87.7 Å²	87.7	73%	0.727	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-3.4	-177.5	-56	-23.6	0	0	0	112.5	R137 L138	R137-N140 WeakPolarHBondContact O-CA 3.49Å; R137-N140 WeakPolarHBondContact O-CB 2.99Å; R137-N140 PolarHBondContact O-N 3.14Å; L138-N140 PolarHBondContact O-N 3.26Å
141	V	91.8	Very high	93.4	Very high	22 Å²	22	88.8 Å²	88.8	13%	0.133	44%	0.444	C	S	.	.	S	Bend	trans	-76.1	134.4	177	-179.1	0	0	0	0	109.7	R137 L138 E145 R146 Y149	R137-V141 PolarHBondContact O-N 3.13Å; L138-V141 PolarHBondContact O-N 2.91Å; V141-E145 HydrophobicContact CG1-CB 3.94Å; V141-R146 HydrophobicContact CG1-CB 4.32Å; V141-R146 PolarHBondContact O-NH2 3Å; V141-Y149 HydrophobicContact CG1-CG 4.48Å; V141-Y149 HydrophobicContact CG2-CD1 3.94Å; V141-Y149 HydrophobicContact CG2-CD2 4.3Å; V141-Y149 HydrophobicContact CG2-CE1 4.1Å; V141-Y149 HydrophobicContact CG2-CE2 4.5Å; V141-Y149 HydrophobicContact CG2-CG 4Å
142	E	92.7	Very high	93.3	Very high	130 Å²	130	90.4 Å²	90.4	61%	0.607	45%	0.454	S	S	*	.			trans	-56	144.1	175.7	-62.8	-166	167.9	0	0	111.2	N144 E145 R146	E142-N144 WeakPolarHBondContact CB-OD1 3.22Å; E142-N144 PolarHBondContact O-N 2.94Å; E142-N144 PolarHBondContact OE2-OD1 3.04Å; E142-E145 PolarHBondContact O-N 3.17Å; E142-R146 PolarHBondContact O-N 3.39Å
143	S	89.8	Confident	93.2	Very high	96 Å²	96	85.7 Å²	85.7	67%	0.671	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.6	-172.2	-61.7	0	0	0	0	113.8	R146	S143-R146 PolarHBondContact OG-NH2 2.71Å
144	N	91.6	Very high	93.2	Very high	124 Å²	124	89 Å²	89	66%	0.663	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.1	176.2	57.6	-14.9	0	0	0	113.4	E142	E142-N144 WeakPolarHBondContact CB-OD1 3.22Å; E142-N144 PolarHBondContact O-N 2.94Å; E142-N144 PolarHBondContact OE2-OD1 3.04Å
145	E	93.1	Very high	93.1	Very high	114 Å²	114	93.9 Å²	93.9	53%	0.533	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-14.9	-179.9	-63.5	-163.6	147	0	0	113.4	V141 E142 Q147 K148 Y149	V141-E145 HydrophobicContact CG1-CB 3.94Å; E142-E145 PolarHBondContact O-N 3.17Å; E145-Q147 VanDerWaalsContact C-N 3.31Å; E145-Q147 PolarHBondContact O-N 3.36Å; E145-K148 PolarHBondContact O-N 3.19Å; E145-Y149 PolarHBondContact O-N 3.04Å
146	R	92.8	Very high	93.3	Very high	100 Å²	100	93.2 Å²	93.2	38%	0.377	47%	0.467	S	S	.	.	H	α-helix	trans	-55.8	-41.4	-172.5	-168.1	176.9	-63.9	140.7	9.9	113.6	L138 V141 E142 S143 Y149 A150	L138-R146 HydrophobicContact CD1-CG 3.88Å; V141-R146 HydrophobicContact CG1-CB 4.32Å; V141-R146 PolarHBondContact O-NH2 3Å; E142-R146 PolarHBondContact O-N 3.39Å; S143-R146 PolarHBondContact OG-NH2 2.71Å; R146-Y149 PolarHBondContact O-N 3.31Å; R146-A150 WeakPolarHBondContact O-CB 3.27Å; R146-A150 PolarHBondContact O-N 3.41Å
147	Q	92.7	Very high	93.4	Very high	128 Å²	128	88.1 Å²	88.1	60%	0.598	45%	0.446	S	S	*	.	H	α-helix	trans	-64.7	-50.5	179	-175.4	60.5	41.8	0	0	111.3	E145 Y149 A150 D151	E145-Q147 VanDerWaalsContact C-N 3.31Å; E145-Q147 PolarHBondContact O-N 3.36Å; Q147-Y149 VanDerWaalsContact C-N 3.26Å; Q147-Y149 PolarHBondContact O-N 2.74Å; Q147-A150 WeakPolarHBondContact O-CB 3.06Å; Q147-A150 PolarHBondContact O-N 2.74Å; Q147-A150 VanDerWaalsContact O-N 3.1Å; Q147-D151 PolarHBondContact NE2-OD1 3.21Å; Q147-D151 VanDerWaalsContact O-CG 3.22Å; Q147-D151 PolarHBondContact O-N 3.43Å
148	K	93.6	Very high	93.6	Very high	157 Å²	157	82.1 Å²	82.1	68%	0.683	43%	0.428	S	S	*	.	H	α-helix	trans	-58.9	-40.5	178.7	-177.9	-177.3	176.7	-173.9	0	111.8	E145 T152	E145-K148 PolarHBondContact O-N 3.19Å; K148-T152 PolarHBondContact O-N 3.14Å; K148-T152 VanDerWaalsContact O-N 3.08Å; K148-T152 PolarHBondContact O-OG1 3.02Å
149	Y	94.3	Very high	93.8	Very high	56 Å²	56	85 Å²	85	22%	0.22	44%	0.439	C	S	.	.	H	α-helix	trans	-66.3	-43.2	175.7	-179.3	-91.4	0	0	0	111.7	E134 R137 L138 V141 E145 R146 Q147 D151 T152 L153	E134-Y149 PolarHBondContact OE2-OH 3.33Å; R137-Y149 WeakPolarHBondContact CB-OH 3.44Å; L138-Y149 HydrophobicContact CB-CE1 4.24Å; L138-Y149 HydrophobicContact CD1-CD1 3.48Å; L138-Y149 VanDerWaalsContact CD1-CD1 3.48Å; L138-Y149 HydrophobicContact CD1-CE1 3.86Å; V141-Y149 HydrophobicContact CG1-CG 4.48Å; V141-Y149 HydrophobicContact CG2-CD1 3.94Å; V141-Y149 HydrophobicContact CG2-CD2 4.3Å; V141-Y149 HydrophobicContact CG2-CE1 4.1Å; V141-Y149 HydrophobicContact CG2-CE2 4.5Å; V141-Y149 HydrophobicContact CG2-CG 4Å; E145-Y149 PolarHBondContact O-N 3.04Å; R146-Y149 PolarHBondContact O-N 3.31Å; Q147-Y149 VanDerWaalsContact C-N 3.26Å; Q147-Y149 PolarHBondContact O-N 2.74Å; Y149-D151 VanDerWaalsContact C-N 3.35Å; Y149-D151 PolarHBondContact O-N 3.38Å; Y149-T152 PolarHBondContact O-N 3.37Å; Y149-L153 WeakPolarHBondContact O-CB 3.28Å; Y149-L153 PolarHBondContact O-N 3.2Å
150	A	94.4	Very high	94.2	Very high	26 Å²	26	83.4 Å²	83.4	22%	0.215	42%	0.422	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.3	0	0	0	0	0	112.4	R146 Q147 T152 L153 L154	R146-A150 WeakPolarHBondContact O-CB 3.27Å; R146-A150 PolarHBondContact O-N 3.41Å; Q147-A150 WeakPolarHBondContact O-CB 3.06Å; Q147-A150 PolarHBondContact O-N 2.74Å; Q147-A150 VanDerWaalsContact O-N 3.1Å; A150-T152 PolarHBondContact O-N 2.82Å; A150-L153 PolarHBondContact O-N 3.09Å; A150-L154 WeakPolarHBondContact O-CG 3.48Å; A150-L154 PolarHBondContact O-N 3.4Å
151	D	94.1	Very high	94.5	Very high	69 Å²	69	81 Å²	81	37%	0.369	41%	0.407	S	S	.	.	H	α-helix	trans	-64.1	-41.5	177.5	-63.3	-26.6	0	0	0	111.4	Q147 Y149 L154 Q155	Q147-D151 PolarHBondContact NE2-OD1 3.21Å; Q147-D151 VanDerWaalsContact O-CG 3.22Å; Q147-D151 PolarHBondContact O-N 3.43Å; Y149-D151 VanDerWaalsContact C-N 3.35Å; Y149-D151 PolarHBondContact O-N 3.38Å; D151-L154 PolarHBondContact O-N 3.29Å; D151-Q155 WeakPolarHBondContact O-CG 3.46Å; D151-Q155 PolarHBondContact O-N 2.64Å; D151-Q155 VanDerWaalsContact O-N 3.14Å
152	T	94.9	Very high	94.8	Very high	62 Å²	62	81 Å²	81	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-43.2	176.1	-55.1	0	0	0	0	110.9	K148 Y149 A150 L154 Q155 D156	K148-T152 PolarHBondContact O-N 3.14Å; K148-T152 VanDerWaalsContact O-N 3.08Å; K148-T152 PolarHBondContact O-OG1 3.02Å; Y149-T152 PolarHBondContact O-N 3.37Å; A150-T152 PolarHBondContact O-N 2.82Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 2.89Å; T152-Q155 WeakPolarHBondContact O-CB 3.5Å; T152-Q155 PolarHBondContact O-N 3.49Å; T152-D156 PolarHBondContact O-N 3.18Å
153	L	95.5	Very high	95.1	Very high	17 Å²	17	76.5 Å²	76.5	9%	0.089	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-43.7	175.5	175.6	57.7	0	0	0	111.7	F130 E134 Y149 A150 Q155 D156 L157	F130-L153 HydrophobicContact CD1-CD1 4.47Å; F130-L153 HydrophobicContact CE1-CD1 3.64Å; F130-L153 HydrophobicContact CZ-CD1 4.01Å; E134-L153 HydrophobicContact CB-CD1 3.48Å; E134-L153 VanDerWaalsContact CB-CD1 3.48Å; E134-L153 HydrophobicContact CB-CD2 3.96Å; E134-L153 HydrophobicContact CB-CG 4.36Å; E134-L153 HydrophobicContact CG-CD1 3.77Å; Y149-L153 WeakPolarHBondContact O-CB 3.28Å; Y149-L153 PolarHBondContact O-N 3.2Å; A150-L153 PolarHBondContact O-N 3.09Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 3.38Å; L153-D156 PolarHBondContact O-N 3.23Å; L153-L157 HydrophobicContact CD1-CD1 3.96Å; L153-L157 HydrophobicContact CD1-CG 3.98Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.2Å; L153-L157 WeakPolarHBondContact O-CG 3.22Å; L153-L157 PolarHBondContact O-N 3.43Å
154	L	95.4	Very high	95.5	Very high	116 Å²	116	72.8 Å²	72.8	61%	0.607	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-37.4	177.1	-74.5	173.2	0	0	0	112.4	A150 D151 T152 G158	A150-L154 WeakPolarHBondContact O-CG 3.48Å; A150-L154 PolarHBondContact O-N 3.4Å; D151-L154 PolarHBondContact O-N 3.29Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 2.89Å; L154-G158 PolarHBondContact O-N 2.86Å
155	Q	95.5	Very high	95.8	Very high	121 Å²	121	70.9 Å²	70.9	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-62.5	-49.5	174.5	-70.5	174.4	1.4	0	0	111.4	D151 T152 L153 L157 G158 H159	D151-Q155 WeakPolarHBondContact O-CG 3.46Å; D151-Q155 PolarHBondContact O-N 2.64Å; D151-Q155 VanDerWaalsContact O-N 3.14Å; T152-Q155 WeakPolarHBondContact O-CB 3.5Å; T152-Q155 PolarHBondContact O-N 3.49Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 3.38Å; Q155-L157 PolarHBondContact O-N 3.2Å; Q155-G158 PolarHBondContact O-N 3.07Å; Q155-H159 PolarHBondContact O-CD2 2.89Å; Q155-H159 PolarHBondContact O-N 3.09Å
156	D	96.6	Very high	96	Very high	69 Å²	69	65.5 Å²	65.5	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-44.6	178.9	-72.6	-18.5	0	0	0	111.9	F130 T152 L153 G158 H159 Q160	F130-D156 HydrophobicContact CE1-CB 3.87Å; F130-D156 HydrophobicContact CZ-CB 3.8Å; T152-D156 PolarHBondContact O-N 3.18Å; L153-D156 PolarHBondContact O-N 3.23Å; D156-G158 VanDerWaalsContact C-N 3.32Å; D156-G158 PolarHBondContact O-N 3.25Å; D156-H159 PolarHBondContact O-N 3.02Å; D156-Q160 WeakPolarHBondContact O-CG 3.19Å; D156-Q160 PolarHBondContact O-N 3.18Å
157	L	97.3	Very high	96.3	Very high	30 Å²	30	61.3 Å²	61.3	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-42.4	175.3	-71.3	172.6	0	0	0	111.6	F127 F130 V131 L153 Q155 H159 Q160 E161	F127-L157 HydrophobicContact CD2-CD2 4.18Å; F127-L157 HydrophobicContact CE2-CB 4.27Å; F127-L157 HydrophobicContact CE2-CD2 3.55Å; F127-L157 HydrophobicContact CZ-CD2 3.88Å; F130-L157 HydrophobicContact CD1-CD2 3.71Å; F130-L157 HydrophobicContact CD1-CG 4.48Å; F130-L157 HydrophobicContact CE1-CD2 3.95Å; F130-L157 HydrophobicContact CE1-CG 4.22Å; V131-L157 HydrophobicContact CG2-CD2 3.37Å; L153-L157 HydrophobicContact CD1-CD1 3.96Å; L153-L157 HydrophobicContact CD1-CG 3.98Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.2Å; L153-L157 WeakPolarHBondContact O-CG 3.22Å; L153-L157 PolarHBondContact O-N 3.43Å; Q155-L157 PolarHBondContact O-N 3.2Å; L157-H159 VanDerWaalsContact C-N 3.34Å; L157-H159 PolarHBondContact O-N 2.83Å; L157-Q160 PolarHBondContact O-N 3.08Å; L157-E161 VanDerWaalsContact O-CB 3.3Å; L157-E161 WeakPolarHBondContact O-CB 3.17Å; L157-E161 PolarHBondContact O-N 2.92Å
158	G	96.9	Very high	96.5	Very high	14 Å²	14	58.6 Å²	58.6	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-41.6	175.1	0	0	0	0	0	112.4	L154 Q155 D156 R162	L154-G158 PolarHBondContact O-N 2.86Å; Q155-G158 PolarHBondContact O-N 3.07Å; D156-G158 VanDerWaalsContact C-N 3.32Å; D156-G158 PolarHBondContact O-N 3.25Å; G158-R162 WeakPolarHBondContact O-CB 3.42Å; G158-R162 WeakPolarHBondContact O-CG 3.47Å; G158-R162 PolarHBondContact O-N 3.32Å; G158-R162 PolarHBondContact O-NE 2.93Å; G158-R162 PolarHBondContact O-NH1 3.42Å; G158-R162 PolarHBondContact O-NH2 3.09Å
159	H	96.8	Very high	96.7	Very high	109 Å²	109	55 Å²	55	51%	0.505	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-41.6	177.1	-71.7	-62.4	0	0	0	112.4	Q155 D156 L157 R162 S163	Q155-H159 PolarHBondContact O-CD2 2.89Å; Q155-H159 PolarHBondContact O-N 3.09Å; D156-H159 PolarHBondContact O-N 3.02Å; L157-H159 VanDerWaalsContact C-N 3.34Å; L157-H159 PolarHBondContact O-N 2.83Å; H159-R162 PolarHBondContact ND1-NH2 2.88Å; H159-S163 PolarHBondContact O-N 3.34Å; H159-S163 VanDerWaalsContact O-N 3.14Å
160	Q	97.4	Very high	96.8	Very high	55 Å²	55	56.8 Å²	56.8	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-66.7	-46.3	177	-69.2	-177.9	11.7	0	0	111.6	F127 D156 L157 R162 S163 I164	F127-Q160 HydrophobicContact CD2-CB 3.85Å; F127-Q160 HydrophobicContact CE2-CB 4.44Å; D156-Q160 WeakPolarHBondContact O-CG 3.19Å; D156-Q160 PolarHBondContact O-N 3.18Å; L157-Q160 PolarHBondContact O-N 3.08Å; Q160-R162 PolarHBondContact O-N 2.78Å; Q160-S163 WeakPolarHBondContact O-CB 3.44Å; Q160-S163 PolarHBondContact O-N 2.65Å; Q160-S163 VanDerWaalsContact O-N 3.12Å; Q160-S163 PolarHBondContact O-OG 3.27Å; Q160-I164 PolarHBondContact O-N 3.23Å; Q160-I164 VanDerWaalsContact O-N 3.15Å
161	E	97.8	Very high	97	Very high	85 Å²	85	57.4 Å²	57.4	40%	0.397	29%	0.286	S	S	.	.	H	α-helix	trans	-56.2	-50.6	176.6	-175.6	-79	159.9	0	0	111	L157 S163 I164 M165	L157-E161 VanDerWaalsContact O-CB 3.3Å; L157-E161 WeakPolarHBondContact O-CB 3.17Å; L157-E161 PolarHBondContact O-N 2.92Å; E161-S163 PolarHBondContact O-N 3.36Å; E161-I164 WeakPolarHBondContact O-CB 3.46Å; E161-I164 PolarHBondContact O-N 2.9Å; E161-M165 WeakPolarHBondContact O-CG 3.2Å; E161-M165 PolarHBondContact O-N 2.81Å; E161-M165 WeakPolarHBondContact OE1-CG 3.32Å
162	R	97.9	Very high	97	Very high	23 Å²	23	55.7 Å²	55.7	9%	0.087	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-29.2	178.8	-72.8	-177.4	-70.5	-87	4.5	112.9	G158 H159 Q160 T166 Q392 L393	G158-R162 WeakPolarHBondContact O-CB 3.42Å; G158-R162 WeakPolarHBondContact O-CG 3.47Å; G158-R162 PolarHBondContact O-N 3.32Å; G158-R162 PolarHBondContact O-NE 2.93Å; G158-R162 PolarHBondContact O-NH1 3.42Å; G158-R162 PolarHBondContact O-NH2 3.09Å; H159-R162 PolarHBondContact ND1-NH2 2.88Å; Q160-R162 PolarHBondContact O-N 2.78Å; R162-T166 WeakPolarHBondContact O-CB 3.44Å; R162-T166 PolarHBondContact O-N 2.98Å; R162-T166 PolarHBondContact O-OG1 2.79Å; R162-Q392 VanDerWaalsContact NH2-OE1 3.11Å; R162-L393 HydrophobicContact CB-CD1 4.06Å; R162-L393 HydrophobicContact CG-CB 4.38Å; R162-L393 HydrophobicContact CG-CD1 4.24Å
163	S	97.9	Very high	97	Very high	35 Å²	35	56.5 Å²	56.5	25%	0.245	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-44.2	174.6	81.4	0	0	0	0	111.5	H159 Q160 E161 T166 D167	H159-S163 PolarHBondContact O-N 3.34Å; H159-S163 VanDerWaalsContact O-N 3.14Å; Q160-S163 WeakPolarHBondContact O-CB 3.44Å; Q160-S163 PolarHBondContact O-N 2.65Å; Q160-S163 VanDerWaalsContact O-N 3.12Å; Q160-S163 PolarHBondContact O-OG 3.27Å; E161-S163 PolarHBondContact O-N 3.36Å; S163-T166 WeakPolarHBondContact O-CB 3.49Å; S163-T166 PolarHBondContact O-N 3.32Å; S163-D167 PolarHBondContact O-N 3.09Å
164	I	98.4	Very high	96.9	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.097	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-45.2	176.8	-62.9	166	0	0	0	109.9	V120 V124 F127 Q160 E161 T166 D167 L168	V120-I164 HydrophobicContact CG1-CG2 4.21Å; V124-I164 HydrophobicContact CG2-CD1 4.22Å; V124-I164 HydrophobicContact CG2-CG2 4.23Å; F127-I164 HydrophobicContact CB-CD1 4.12Å; F127-I164 HydrophobicContact CG-CD1 4.49Å; Q160-I164 PolarHBondContact O-N 3.23Å; Q160-I164 VanDerWaalsContact O-N 3.15Å; E161-I164 WeakPolarHBondContact O-CB 3.46Å; E161-I164 PolarHBondContact O-N 2.9Å; I164-T166 VanDerWaalsContact C-N 3.3Å; I164-T166 PolarHBondContact O-N 3.43Å; I164-D167 PolarHBondContact O-N 2.78Å; I164-L168 HydrophobicContact CG2-CD1 4.3Å; I164-L168 PolarHBondContact O-N 3.39Å
165	M	98.2	Very high	96.7	Very high	83 Å²	83	52.4 Å²	52.4	41%	0.409	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-35.5	177.7	-67.6	-54.3	-72.2	0	0	112.9	E161 L168 Y169 L393	E161-M165 WeakPolarHBondContact O-CG 3.2Å; E161-M165 PolarHBondContact O-N 2.81Å; E161-M165 WeakPolarHBondContact OE1-CG 3.32Å; M165-L168 PolarHBondContact O-N 2.97Å; M165-L168 HydrophobicContact SD-CD1 3.86Å; M165-Y169 PolarHBondContact O-N 2.89Å; M165-L393 HydrophobicContact CB-CD1 4.06Å
166	T	98.1	Very high	96.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-42.6	173.5	-60.1	0	0	0	0	111.7	R162 S163 I164 L168 Y169 Y170 R396 R397	R162-T166 WeakPolarHBondContact O-CB 3.44Å; R162-T166 PolarHBondContact O-N 2.98Å; R162-T166 PolarHBondContact O-OG1 2.79Å; S163-T166 WeakPolarHBondContact O-CB 3.49Å; S163-T166 PolarHBondContact O-N 3.32Å; I164-T166 VanDerWaalsContact C-N 3.3Å; I164-T166 PolarHBondContact O-N 3.43Å; T166-L168 VanDerWaalsContact C-N 3.34Å; T166-Y169 WeakPolarHBondContact O-CB 3.38Å; T166-Y169 PolarHBondContact O-N 3.43Å; T166-Y170 HydrophobicContact CG2-CD2 3.87Å; T166-Y170 HydrophobicContact CG2-CE2 3.37Å; T166-Y170 WeakPolarHBondContact O-CD2 3.28Å; T166-Y170 PolarHBondContact O-N 3.44Å; T166-R396 HydrophobicContact CG2-CB 4.42Å; T166-R396 PolarHBondContact OG1-NH1 3.4Å; T166-R397 HydrophobicContact CG2-CG 3.57Å
167	D	98.3	Very high	96.1	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-36.3	178	-71	-25.1	0	0	0	111.6	K119 V120 S163 I164 Y170 L171	K119-D167 WeakPolarHBondContact CD-OD2 3.44Å; K119-D167 WeakPolarHBondContact CE-OD2 3.41Å; K119-D167 WeakPolarHBondContact CG-OD2 3.39Å; K119-D167 VanDerWaalsContact NZ-CG 3.32Å; K119-D167 IonicContact NZ-OD1 3.57Å; K119-D167 PolarHBondContact NZ-OD1 3.49Å; K119-D167 IonicContact NZ-OD2 2.89Å; K119-D167 PolarHBondContact NZ-OD2 3.39Å; K119-D167 VanDerWaalsContact NZ-OD2 3.14Å; V120-D167 HydrophobicContact CG2-CB 3.78Å; S163-D167 PolarHBondContact O-N 3.09Å; I164-D167 PolarHBondContact O-N 2.78Å; D167-Y170 PolarHBondContact O-N 3.08Å; D167-L171 WeakPolarHBondContact O-CB 3.33Å; D167-L171 PolarHBondContact O-N 3.05Å
168	L	98.1	Very high	95.9	Very high	71 Å²	71	44.7 Å²	44.7	37%	0.372	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-40.6	170.4	-78.2	171.2	0	0	0	112.2	V120 I164 M165 T166 L171 S172	V120-L168 HydrophobicContact CG1-CD2 3.94Å; V120-L168 HydrophobicContact CG1-CG 4.19Å; V120-L168 HydrophobicContact CG2-CD2 4.05Å; V120-L168 HydrophobicContact CG2-CG 4.02Å; I164-L168 HydrophobicContact CG2-CD1 4.3Å; I164-L168 PolarHBondContact O-N 3.39Å; M165-L168 PolarHBondContact O-N 2.97Å; M165-L168 HydrophobicContact SD-CD1 3.86Å; T166-L168 VanDerWaalsContact C-N 3.34Å; L168-L171 HydrophobicContact CD2-CD2 4.35Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.39Å; L168-S172 PolarHBondContact O-N 3.15Å
169	Y	96.9	Very high	95.8	Very high	80 Å²	80	49.2 Å²	49.2	31%	0.314	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-48.7	172.8	168.1	-99.5	0	0	0	111.5	M165 T166 L171 S172 Q173 R397	M165-Y169 PolarHBondContact O-N 2.89Å; T166-Y169 WeakPolarHBondContact O-CB 3.38Å; T166-Y169 PolarHBondContact O-N 3.43Å; Y169-L171 VanDerWaalsContact C-N 3.27Å; Y169-L171 PolarHBondContact O-N 2.89Å; Y169-S172 WeakPolarHBondContact O-CB 3.49Å; Y169-S172 PolarHBondContact O-N 2.89Å; Y169-S172 VanDerWaalsContact O-N 3.08Å; Y169-S172 PolarHBondContact O-OG 3.37Å; Y169-Q173 HydrophobicContact CE1-CG 4.31Å; Y169-Q173 HydrophobicContact CE2-CG 4.19Å; Y169-Q173 PolarHBondContact O-N 2.93Å; Y169-R397 VanDerWaalsContact CD1-NH1 3.27Å; Y169-R397 VanDerWaalsContact CE2-NH1 3.26Å
170	Y	97.4	Very high	95.7	Very high	95 Å²	95	47.8 Å²	47.8	37%	0.373	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-36.2	177.7	-66.9	-45.9	0	0	0	112.1	T166 D167 S172 Q173 A174 R397	T166-Y170 HydrophobicContact CG2-CD2 3.87Å; T166-Y170 HydrophobicContact CG2-CE2 3.37Å; T166-Y170 WeakPolarHBondContact O-CD2 3.28Å; T166-Y170 PolarHBondContact O-N 3.44Å; D167-Y170 PolarHBondContact O-N 3.08Å; Y170-S172 PolarHBondContact O-N 3.02Å; Y170-Q173 PolarHBondContact O-N 3.33Å; Y170-A174 PolarHBondContact O-N 3.48Å; Y170-R397 HydrophobicContact CE1-CG 4.48Å
171	L	96.8	Very high	95.7	Very high	39 Å²	39	47.4 Å²	47.4	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-39	174.3	179.4	62.2	0	0	0	110.7	Q113 L116 D167 L168 Y169 Q173 A174	Q113-L171 HydrophobicContact CB-CD1 4.35Å; Q113-L171 HydrophobicContact CG-CD1 3.68Å; Q113-L171 VanDerWaalsContact O-CD1 3.27Å; Q113-L171 WeakPolarHBondContact O-CD1 3.47Å; L116-L171 HydrophobicContact CB-CB 4.06Å; L116-L171 HydrophobicContact CB-CD1 3.91Å; L116-L171 HydrophobicContact CD1-CB 4.48Å; D167-L171 WeakPolarHBondContact O-CB 3.33Å; D167-L171 PolarHBondContact O-N 3.05Å; L168-L171 HydrophobicContact CD2-CD2 4.35Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.39Å; Y169-L171 VanDerWaalsContact C-N 3.27Å; Y169-L171 PolarHBondContact O-N 2.89Å; L171-Q173 PolarHBondContact O-N 2.98Å; L171-A174 PolarHBondContact O-N 2.9Å
172	S	94.9	Very high	95.7	Very high	33 Å²	33	47.3 Å²	47.3	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-34.9	174.4	86	0	0	0	0	111.4	L168 Y169 Y170 R181	L168-S172 PolarHBondContact O-N 3.15Å; Y169-S172 WeakPolarHBondContact O-CB 3.49Å; Y169-S172 PolarHBondContact O-N 2.89Å; Y169-S172 VanDerWaalsContact O-N 3.08Å; Y169-S172 PolarHBondContact O-OG 3.37Å; Y170-S172 PolarHBondContact O-N 3.02Å; S172-R181 VanDerWaalsContact CA-NH2 3.32Å; S172-R181 PolarHBondContact O-NH1 2.57Å; S172-R181 PolarHBondContact O-NH2 2.91Å
173	Q	94.3	Very high	95.6	Very high	79 Å²	79	51.5 Å²	51.5	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-90.4	-14.4	-175.7	-57.7	-54.7	-54.9	0	0	114	Y169 Y170 L171 G178	Y169-Q173 HydrophobicContact CE1-CG 4.31Å; Y169-Q173 HydrophobicContact CE2-CG 4.19Å; Y169-Q173 PolarHBondContact O-N 2.93Å; Y170-Q173 PolarHBondContact O-N 3.33Å; L171-Q173 PolarHBondContact O-N 2.98Å; Q173-G178 VanDerWaalsContact OE1-CA 3.29Å
174	A	93.3	Very high	95.6	Very high	9 Å²	9	50.7 Å²	50.7	7%	0.074	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59.4	151.9	-170.4	0	0	0	0	0	113.9	T112 Q113 L116 Y170 L171 G176 V177	T112-A174 HydrophobicContact CG2-CB 4.09Å; Q113-A174 HydrophobicContact CB-CB 4.34Å; L116-A174 HydrophobicContact CD1-CB 4.11Å; Y170-A174 PolarHBondContact O-N 3.48Å; L171-A174 PolarHBondContact O-N 2.9Å; A174-G176 PolarHBondContact O-N 3.07Å; A174-V177 WeakPolarHBondContact O-CB 3.36Å; A174-V177 VanDerWaalsContact O-CG2 3.23Å; A174-V177 WeakPolarHBondContact O-CG2 3.33Å; A174-V177 PolarHBondContact O-N 3.31Å
175	D	91.7	Very high	95.6	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.203	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	50.1	37.1	168.4	-69.4	-70.4	0	0	0	115.2	K103 G110 T112 Q113 V177	K103-D175 IonicContact NZ-OD1 3.45Å; K103-D175 PolarHBondContact NZ-OD1 3.3Å; G110-D175 WeakPolarHBondContact CA-OD2 3.17Å; T112-D175 WeakPolarHBondContact CB-OD2 3.24Å; T112-D175 PolarHBondContact N-OD2 2.76Å; Q113-D175 PolarHBondContact N-OD2 2.95Å; D175-V177 VanDerWaalsContact C-N 3.31Å; D175-V177 PolarHBondContact O-N 2.83Å
176	G	89.3	Confident	95.6	Very high	16 Å²	16	52.5 Å²	52.5	17%	0.165	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	83.4	-0.2	176.5	0	0	0	0	0	114.9	A174 G178 E179 W180	A174-G176 PolarHBondContact O-N 3.07Å; G176-G178 VanDerWaalsContact C-N 3.31Å; G176-G178 PolarHBondContact O-N 3.32Å; G176-E179 PolarHBondContact O-N 3.23Å; G176-W180 PolarHBondContact O-N 2.87Å
177	V	91	Very high	95.5	Very high	37 Å²	37	55.6 Å²	55.6	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-36.2	178.6	-178.4	0	0	0	0	111.4	A174 D175 W180 R181	A174-V177 WeakPolarHBondContact O-CB 3.36Å; A174-V177 VanDerWaalsContact O-CG2 3.23Å; A174-V177 WeakPolarHBondContact O-CG2 3.33Å; A174-V177 PolarHBondContact O-N 3.31Å; D175-V177 VanDerWaalsContact C-N 3.31Å; D175-V177 PolarHBondContact O-N 2.83Å; V177-W180 PolarHBondContact O-N 2.79Å; V177-R181 PolarHBondContact O-N 3.2Å
178	G	93.2	Very high	95.5	Very high	5 Å²	5	55 Å²	55	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-43.4	174.8	0	0	0	0	0	113.7	Q173 G176 R181 T182	Q173-G178 VanDerWaalsContact OE1-CA 3.29Å; G176-G178 VanDerWaalsContact C-N 3.31Å; G176-G178 PolarHBondContact O-N 3.32Å; G178-R181 PolarHBondContact O-N 3.4Å; G178-T182 PolarHBondContact O-N 3.34Å; G178-T182 VanDerWaalsContact O-N 3.12Å; G178-T182 PolarHBondContact O-OG1 2.95Å; G178-T182 VanDerWaalsContact O-OG1 3.04Å
179	E	94.3	Very high	95.6	Very high	108 Å²	108	52 Å²	52	51%	0.505	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-41.4	175.5	-61.5	-172.6	154.2	0	0	111	G176 T182 K183	G176-E179 PolarHBondContact O-N 3.23Å; E179-T182 PolarHBondContact O-N 3.23Å; E179-K183 PolarHBondContact O-N 2.98Å
180	W	95.7	Very high	95.6	Very high	79 Å²	79	51.8 Å²	51.8	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-47	175.4	174.8	83.9	0	0	0	112	G176 V177 T182 K183 E184 R319	G176-W180 PolarHBondContact O-N 2.87Å; V177-W180 PolarHBondContact O-N 2.79Å; W180-T182 PolarHBondContact O-N 3.29Å; W180-K183 PolarHBondContact O-N 3.39Å; W180-E184 HydrophobicContact CH2-CG 4.26Å; W180-E184 HydrophobicContact CZ2-CB 4.19Å; W180-E184 HydrophobicContact CZ2-CG 4Å; W180-E184 WeakPolarHBondContact O-CB 3.39Å; W180-E184 PolarHBondContact O-N 2.8Å; W180-R319 HydrophobicContact CH2-CB 4.11Å
181	R	96.4	Very high	95.6	Very high	47 Å²	47	48.4 Å²	48.4	18%	0.177	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-45.5	177.9	-73.4	-161.5	-149.4	80.2	7.7	111.9	S172 V177 G178 K183 E184 A185 L320 P485	S172-R181 VanDerWaalsContact CA-NH2 3.32Å; S172-R181 PolarHBondContact O-NH1 2.57Å; S172-R181 PolarHBondContact O-NH2 2.91Å; V177-R181 PolarHBondContact O-N 3.2Å; G178-R181 PolarHBondContact O-N 3.4Å; R181-K183 VanDerWaalsContact C-N 3.28Å; R181-K183 PolarHBondContact O-N 3.38Å; R181-E184 PolarHBondContact O-N 3.46Å; R181-A185 VanDerWaalsContact O-CB 3.25Å; R181-A185 WeakPolarHBondContact O-CB 3.32Å; R181-A185 PolarHBondContact O-N 2.81Å; R181-L320 HydrophobicContact CB-CD1 3.81Å; R181-L320 HydrophobicContact CG-CD1 3.96Å; R181-L320 WeakPolarHBondContact O-CD1 3.5Å; R181-P485 HydrophobicContact CB-CB 3.95Å
182	T	97.1	Very high	95.7	Very high	83 Å²	83	46.6 Å²	46.6	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-43.8	178.3	-57.4	0	0	0	0	111.4	G178 E179 W180 K186	G178-T182 PolarHBondContact O-N 3.34Å; G178-T182 VanDerWaalsContact O-N 3.12Å; G178-T182 PolarHBondContact O-OG1 2.95Å; G178-T182 VanDerWaalsContact O-OG1 3.04Å; E179-T182 PolarHBondContact O-N 3.23Å; W180-T182 PolarHBondContact O-N 3.29Å; T182-K186 PolarHBondContact O-N 2.72Å
183	K	97	Very high	95.8	Very high	111 Å²	111	46.3 Å²	46.3	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-51	177	-175.8	-174.6	173.2	-169.9	0	111.8	E179 W180 R181 A185 K186 D187	E179-K183 PolarHBondContact O-N 2.98Å; W180-K183 PolarHBondContact O-N 3.39Å; R181-K183 VanDerWaalsContact C-N 3.28Å; R181-K183 PolarHBondContact O-N 3.38Å; K183-A185 VanDerWaalsContact C-N 3.33Å; K183-A185 PolarHBondContact O-N 3.25Å; K183-K186 PolarHBondContact O-N 2.67Å; K183-D187 WeakPolarHBondContact CE-OD2 3.12Å; K183-D187 WeakPolarHBondContact O-CB 3.46Å; K183-D187 VanDerWaalsContact O-CG 3.27Å; K183-D187 PolarHBondContact O-N 3.02Å
184	E	97.9	Very high	96	Very high	18 Å²	18	44.1 Å²	44.1	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-39.1	-177.1	179.4	66.8	174.5	0	0	112	W180 R181 D187 L188 R316 L320	W180-E184 HydrophobicContact CH2-CG 4.26Å; W180-E184 HydrophobicContact CZ2-CB 4.19Å; W180-E184 HydrophobicContact CZ2-CG 4Å; W180-E184 WeakPolarHBondContact O-CB 3.39Å; W180-E184 PolarHBondContact O-N 2.8Å; R181-E184 PolarHBondContact O-N 3.46Å; E184-D187 PolarHBondContact O-N 3.09Å; E184-L188 HydrophobicContact CG-CD1 4.09Å; E184-L188 WeakPolarHBondContact O-CB 3.44Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 3.35Å; E184-R316 IonicContact OE1-CZ 3.45Å; E184-R316 VanDerWaalsContact OE1-CZ 3.26Å; E184-R316 IonicContact OE1-NE 3.7Å; E184-R316 PolarHBondContact OE1-NE 2.86Å; E184-R316 IonicContact OE1-NH2 2.69Å; E184-R316 PolarHBondContact OE1-NH2 2.97Å; E184-R316 IonicContact OE2-CZ 3.71Å; E184-R316 IonicContact OE2-NE 3.32Å; E184-R316 IonicContact OE2-NH2 2.7Å; E184-R316 PolarHBondContact OE2-NH2 3.21Å; E184-L320 HydrophobicContact CB-CD1 4.38Å; E184-L320 HydrophobicContact CG-CD1 4.46Å; E184-L320 HydrophobicContact CG-CD2 4.25Å
185	A	98.1	Very high	96.2	Very high	13 Å²	13	44.3 Å²	44.3	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-44.1	174.9	0	0	0	0	0	112.2	R181 K183 S189 L320 P485	R181-A185 VanDerWaalsContact O-CB 3.25Å; R181-A185 WeakPolarHBondContact O-CB 3.32Å; R181-A185 PolarHBondContact O-N 2.81Å; K183-A185 VanDerWaalsContact C-N 3.33Å; K183-A185 PolarHBondContact O-N 3.25Å; A185-S189 WeakPolarHBondContact O-CB 3.47Å; A185-S189 PolarHBondContact O-N 3.02Å; A185-L320 VanDerWaalsContact CA-CD2 3.46Å; A185-L320 HydrophobicContact CB-CD1 4.22Å; A185-L320 HydrophobicContact CB-CD2 3.75Å; A185-P485 HydrophobicContact CB-CB 4.03Å
186	K	97.7	Very high	96.6	Very high	128 Å²	128	42.5 Å²	42.5	56%	0.557	21%	0.212	S	C	*	.	H	α-helix	trans	-63.1	-50.8	174.8	-176.7	180	176.9	-176.9	0	111.1	T182 K183 L188 S189 D190	T182-K186 PolarHBondContact O-N 2.72Å; K183-K186 PolarHBondContact O-N 2.67Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 2.92Å; K186-S189 PolarHBondContact O-N 3.26Å; K186-S189 VanDerWaalsContact O-N 3.16Å; K186-D190 WeakPolarHBondContact CE-OD2 3.36Å; K186-D190 WeakPolarHBondContact CG-OD2 3.36Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 VanDerWaalsContact O-CG 3.31Å; K186-D190 PolarHBondContact O-N 3.17Å
187	D	97.3	Very high	97	Very high	65 Å²	65	44.4 Å²	44.4	35%	0.348	22%	0.221	S	C	.	.	H	α-helix	trans	-59	-38.8	-178.5	-70.3	-9.1	0	0	0	111.5	K183 E184 L191	K183-D187 WeakPolarHBondContact CE-OD2 3.12Å; K183-D187 WeakPolarHBondContact O-CB 3.46Å; K183-D187 VanDerWaalsContact O-CG 3.27Å; K183-D187 PolarHBondContact O-N 3.02Å; E184-D187 PolarHBondContact O-N 3.09Å; D187-L191 VanDerWaalsContact O-CB 3.28Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3Å; D187-L191 VanDerWaalsContact O-N 3.07Å
188	L	98.3	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.4	-42.5	175.3	-79.1	170	0	0	0	113	E184 K186 L191 V192 L313 R316 L317 L320 W327	E184-L188 HydrophobicContact CG-CD1 4.09Å; E184-L188 WeakPolarHBondContact O-CB 3.44Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 3.35Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 2.92Å; L188-L191 PolarHBondContact O-N 2.97Å; L188-V192 WeakPolarHBondContact O-CG2 2.97Å; L188-V192 PolarHBondContact O-N 3.27Å; L188-V192 VanDerWaalsContact O-N 3.09Å; L188-L313 HydrophobicContact CD2-CD2 4.12Å; L188-R316 HydrophobicContact CD1-CB 4.09Å; L188-R316 HydrophobicContact CD2-CB 4.06Å; L188-R316 VanDerWaalsContact CD2-CZ 3.41Å; L188-L317 HydrophobicContact CD1-CD2 3.95Å; L188-L320 HydrophobicContact CD1-CD2 3.69Å; L188-W327 HydrophobicContact CB-CH2 3.89Å; L188-W327 HydrophobicContact CB-CZ2 3.65Å
189	S	98.3	Very high	97.6	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-46.1	177	-168.6	0	0	0	0	110.6	A185 K186 L191 V192 Q193 Q331 K334	A185-S189 WeakPolarHBondContact O-CB 3.47Å; A185-S189 PolarHBondContact O-N 3.02Å; K186-S189 PolarHBondContact O-N 3.26Å; K186-S189 VanDerWaalsContact O-N 3.16Å; S189-L191 VanDerWaalsContact C-N 3.31Å; S189-L191 PolarHBondContact O-N 3.41Å; S189-V192 PolarHBondContact O-N 2.87Å; S189-Q193 WeakPolarHBondContact O-CB 3.43Å; S189-Q193 VanDerWaalsContact O-CG 3.22Å; S189-Q193 WeakPolarHBondContact O-CG 2.96Å; S189-Q193 PolarHBondContact O-N 3.17Å; S189-Q331 PolarHBondContact OG-OE1 3.41Å; S189-K334 PolarHBondContact OG-NZ 3.06Å
190	D	97.6	Very high	97.8	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-41.3	178.2	-70.6	-11.3	0	0	0	111.3	K186 N194	K186-D190 WeakPolarHBondContact CE-OD2 3.36Å; K186-D190 WeakPolarHBondContact CG-OD2 3.36Å; K186-D190 WeakPolarHBondContact O-CB 3.46Å; K186-D190 VanDerWaalsContact O-CG 3.31Å; K186-D190 PolarHBondContact O-N 3.17Å; D190-N194 VanDerWaalsContact O-CB 3.23Å; D190-N194 WeakPolarHBondContact O-CB 3.26Å; D190-N194 PolarHBondContact O-N 3.35Å
191	L	97.6	Very high	97.9	Very high	25 Å²	25	40 Å²	40	13%	0.131	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-53.9	173.4	176.4	65.6	0	0	0	111.7	D187 L188 S189 N194 R195 L313 D575	D187-L191 VanDerWaalsContact O-CB 3.28Å; D187-L191 WeakPolarHBondContact O-CB 3.49Å; D187-L191 PolarHBondContact O-N 3Å; D187-L191 VanDerWaalsContact O-N 3.07Å; L188-L191 PolarHBondContact O-N 2.97Å; S189-L191 VanDerWaalsContact C-N 3.31Å; S189-L191 PolarHBondContact O-N 3.41Å; L191-N194 PolarHBondContact O-N 3.02Å; L191-R195 WeakPolarHBondContact O-CG 3.32Å; L191-R195 PolarHBondContact O-N 3.27Å; L191-R195 VanDerWaalsContact O-N 3.07Å; L191-L313 HydrophobicContact CD2-CD2 3.97Å; L191-D575 WeakPolarHBondContact CD1-OD1 3.48Å
192	V	98.4	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-43.4	-177.2	174.8	0	0	0	0	111.5	L188 S189 N194 R195 I196 L313 W327 W328 Q331	L188-V192 WeakPolarHBondContact O-CG2 2.97Å; L188-V192 PolarHBondContact O-N 3.27Å; L188-V192 VanDerWaalsContact O-N 3.09Å; S189-V192 PolarHBondContact O-N 2.87Å; V192-N194 PolarHBondContact O-N 3.41Å; V192-R195 PolarHBondContact O-N 3.44Å; V192-R195 VanDerWaalsContact O-N 3.15Å; V192-I196 HydrophobicContact CG1-CD1 3.76Å; V192-I196 HydrophobicContact CG1-CG1 4.22Å; V192-I196 WeakPolarHBondContact O-CG1 3.45Å; V192-I196 PolarHBondContact O-N 2.7Å; V192-L313 HydrophobicContact CG2-CD1 3.65Å; V192-W327 HydrophobicContact CG2-CH2 3.83Å; V192-W327 HydrophobicContact CG2-CZ3 4.17Å; V192-W328 HydrophobicContact CG1-CE3 4.5Å; V192-W328 HydrophobicContact CG1-CH2 4.37Å; V192-W328 HydrophobicContact CG1-CZ3 3.66Å; V192-W328 HydrophobicContact CG2-CZ3 4.01Å; V192-Q331 HydrophobicContact CB-CB 4.5Å; V192-Q331 HydrophobicContact CB-CG 4.21Å; V192-Q331 HydrophobicContact CG1-CB 3.68Å; V192-Q331 HydrophobicContact CG1-CG 3.85Å
193	Q	98.4	Very high	97.9	Very high	28 Å²	28	41.7 Å²	41.7	13%	0.131	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-36.7	177.4	-68.3	-54.9	-55.3	0	0	111.7	S189 T197 Q331 K334	S189-Q193 WeakPolarHBondContact O-CB 3.43Å; S189-Q193 VanDerWaalsContact O-CG 3.22Å; S189-Q193 WeakPolarHBondContact O-CG 2.96Å; S189-Q193 PolarHBondContact O-N 3.17Å; Q193-T197 VanDerWaalsContact O-CB 3.32Å; Q193-T197 WeakPolarHBondContact O-CB 3.43Å; Q193-T197 PolarHBondContact O-N 3.26Å; Q193-T197 PolarHBondContact O-OG1 3.33Å; Q193-Q331 PolarHBondContact NE2-O 3Å; Q193-K334 HydrophobicContact CG-CD 4.29Å
194	N	97.8	Very high	97.9	Very high	32 Å²	32	39.1 Å²	39.1	17%	0.171	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-44.4	174	-179.6	61.7	0	0	0	112.4	D190 L191 V192 I196 T197 Y198 A574 L578	D190-N194 VanDerWaalsContact O-CB 3.23Å; D190-N194 WeakPolarHBondContact O-CB 3.26Å; D190-N194 PolarHBondContact O-N 3.35Å; L191-N194 PolarHBondContact O-N 3.02Å; V192-N194 PolarHBondContact O-N 3.41Å; N194-I196 PolarHBondContact O-N 2.03Å; N194-T197 PolarHBondContact O-N 3.25Å; N194-Y198 WeakPolarHBondContact O-CB 3.33Å; N194-Y198 PolarHBondContact O-N 1.99Å; N194-A574 VanDerWaalsContact ND2-CB 3.34Å; N194-A574 WeakPolarHBondContact ND2-CB 3.32Å; N194-A574 PolarHBondContact ND2-O 2.82Å; N194-L578 HydrophobicContact CB-CD1 3.65Å; N194-L578 HydrophobicContact CB-CD2 4.4Å; N194-L578 HydrophobicContact CB-CG 4.13Å; N194-L578 VanDerWaalsContact CG-CD1 3.4Å; N194-L578 VanDerWaalsContact CG-CG 3.48Å; N194-L578 WeakPolarHBondContact ND2-CD1 3.27Å; N194-L578 VanDerWaalsContact ND2-CG 3.33Å; N194-L578 WeakPolarHBondContact ND2-CG 3.36Å
195	R	98.3	Very high	97.9	Very high	13 Å²	13	39.3 Å²	39.3	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-44	175.3	-66.4	176.7	179	-175.4	-8.7	111.9	L191 V192 Y198 L199 Y236 D312 L570 Y571 A574 D575	L191-R195 WeakPolarHBondContact O-CG 3.32Å; L191-R195 PolarHBondContact O-N 3.27Å; L191-R195 VanDerWaalsContact O-N 3.07Å; V192-R195 PolarHBondContact O-N 3.44Å; V192-R195 VanDerWaalsContact O-N 3.15Å; R195-Y198 PolarHBondContact O-N 2.92Å; R195-L199 PolarHBondContact O-N 2.87Å; R195-Y236 HydrophobicContact CB-CE2 4Å; R195-Y236 WeakPolarHBondContact CD-OH 2.98Å; R195-D312 IonicContact CZ-OD2 3.6Å; R195-D312 IonicContact NH1-OD2 2.83Å; R195-D312 PolarHBondContact NH1-OD2 2.92Å; R195-D312 IonicContact NH2-OD2 3.51Å; R195-L570 WeakPolarHBondContact CD-O 3.47Å; R195-L570 PolarHBondContact NE-O 2.96Å; R195-L570 PolarHBondContact NH2-O 3.45Å; R195-Y571 HydrophobicContact CB-CD2 4.1Å; R195-Y571 HydrophobicContact CB-CG 4.42Å; R195-A574 HydrophobicContact CG-CB 4.44Å; R195-D575 IonicContact NE-OD1 2.81Å; R195-D575 IonicContact NE-OD2 2.64Å; R195-D575 IonicContact NH2-OD2 3Å; R195-D575 PolarHBondContact NH2-OD2 2.75Å
196	I	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-46.5	175.1	-66.7	170.9	0	0	0	110.6	V192 N194 Y198 L199 Q200 F232 Y236 Q331 F332 Y335	V192-I196 HydrophobicContact CG1-CD1 3.76Å; V192-I196 HydrophobicContact CG1-CG1 4.22Å; V192-I196 WeakPolarHBondContact O-CG1 3.45Å; V192-I196 PolarHBondContact O-N 2.7Å; N194-I196 PolarHBondContact O-N 2.03Å; I196-Y198 VanDerWaalsContact C-N 3.33Å; I196-Y198 PolarHBondContact O-N 3.49Å; I196-L199 PolarHBondContact O-N 3.05Å; I196-Q200 HydrophobicContact CG2-CG 4.32Å; I196-Q200 WeakPolarHBondContact O-CB 3.38Å; I196-Q200 WeakPolarHBondContact O-CG 3.38Å; I196-Q200 PolarHBondContact O-N 2.96Å; I196-F232 HydrophobicContact CG2-CE1 4.06Å; I196-F232 HydrophobicContact CG2-CE2 3.93Å; I196-F232 HydrophobicContact CG2-CZ 3.33Å; I196-Y236 HydrophobicContact CG1-CD2 3.99Å; I196-Y236 HydrophobicContact CG1-CE2 4.06Å; I196-Q331 HydrophobicContact CD1-CB 4.47Å; I196-F332 HydrophobicContact CD1-CD1 4.13Å; I196-F332 HydrophobicContact CD1-CE1 4.15Å; I196-F332 HydrophobicContact CG1-CE1 4.39Å; I196-Y335 HydrophobicContact CB-CD2 4.22Å; I196-Y335 HydrophobicContact CB-CE2 4.49Å; I196-Y335 HydrophobicContact CG2-CD1 4Å; I196-Y335 HydrophobicContact CG2-CD2 3.46Å; I196-Y335 VanDerWaalsContact CG2-CD2 3.46Å; I196-Y335 HydrophobicContact CG2-CE1 4.18Å; I196-Y335 HydrophobicContact CG2-CE2 3.7Å; I196-Y335 HydrophobicContact CG2-CG 3.61Å
197	T	98.4	Very high	97.9	Very high	57 Å²	57	43.2 Å²	43.2	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-42.5	179.3	-59.4	0	0	0	0	111.4	Q193 N194 Q200 N201	Q193-T197 VanDerWaalsContact O-CB 3.32Å; Q193-T197 WeakPolarHBondContact O-CB 3.43Å; Q193-T197 PolarHBondContact O-N 3.26Å; Q193-T197 PolarHBondContact O-OG1 3.33Å; N194-T197 PolarHBondContact O-N 3.25Å; T197-Q200 PolarHBondContact O-N 2.79Å; T197-N201 WeakPolarHBondContact O-CB 3.3Å; T197-N201 PolarHBondContact O-N 2.98Å; T197-N201 VanDerWaalsContact O-N 3.12Å; T197-N201 PolarHBondContact O-ND2 3.22Å
198	Y	98.3	Very high	97.9	Very high	91 Å²	91	40.7 Å²	40.7	36%	0.357	22%	0.222	S	C	.	.	H	α-helix	trans	-60.2	-51	175.4	173.7	-94.8	0	0	0	111.8	N194 R195 I196 Q200 N201 Y571 E573 A574 L577	N194-Y198 WeakPolarHBondContact O-CB 3.33Å; N194-Y198 PolarHBondContact O-N 1.99Å; R195-Y198 PolarHBondContact O-N 2.92Å; I196-Y198 VanDerWaalsContact C-N 3.33Å; I196-Y198 PolarHBondContact O-N 3.49Å; Y198-Q200 VanDerWaalsContact C-N 3.29Å; Y198-Q200 PolarHBondContact O-N 3.41Å; Y198-N201 PolarHBondContact O-N 3.25Å; Y198-Y571 AromaticContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CG 4.47Å; Y198-Y571 HydrophobicContact CE1-CD1 4.07Å; Y198-E573 HydrophobicContact CE1-CB 4.28Å; Y198-E573 HydrophobicContact CE2-CB 3.83Å; Y198-E573 WeakPolarHBondContact OH-CB 3.35Å; Y198-A574 HydrophobicContact CD1-CB 4.24Å; Y198-A574 HydrophobicContact CD2-CB 4.2Å; Y198-A574 HydrophobicContact CG-CB 3.74Å; Y198-L577 HydrophobicContact CD2-CD1 4.22Å
199	L	98.6	Very high	97.9	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-42.8	177.4	173	66.1	0	0	0	112.3	R195 I196 N201 Y236 T241 Y571	R195-L199 PolarHBondContact O-N 2.87Å; I196-L199 PolarHBondContact O-N 3.05Å; L199-N201 VanDerWaalsContact C-N 3.27Å; L199-N201 PolarHBondContact O-N 2.81Å; L199-Y236 HydrophobicContact CD2-CD2 4.03Å; L199-Y236 HydrophobicContact CD2-CG 4.35Å; L199-T241 PolarHBondContact O-OG1 3.37Å; L199-Y571 HydrophobicContact CB-CE1 4.18Å; L199-Y571 HydrophobicContact CD1-CE1 3.93Å
200	Q	98.6	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.9	-18.1	-177.1	-76	-55.4	103.5	0	0	113.3	I196 T197 Y198 P202 F232 L242 V263 S264 Y335	I196-Q200 HydrophobicContact CG2-CG 4.32Å; I196-Q200 WeakPolarHBondContact O-CB 3.38Å; I196-Q200 WeakPolarHBondContact O-CG 3.38Å; I196-Q200 PolarHBondContact O-N 2.96Å; T197-Q200 PolarHBondContact O-N 2.79Å; Y198-Q200 VanDerWaalsContact C-N 3.29Å; Y198-Q200 PolarHBondContact O-N 3.41Å; Q200-P202 VanDerWaalsContact O-CD 3.23Å; Q200-P202 WeakPolarHBondContact O-CD 3.34Å; Q200-F232 HydrophobicContact CG-CE2 3.76Å; Q200-F232 HydrophobicContact CG-CZ 3.57Å; Q200-L242 PolarHBondContact NE2-O 3.05Å; Q200-V263 WeakPolarHBondContact CB-O 3.37Å; Q200-V263 WeakPolarHBondContact CG-O 3.5Å; Q200-V263 PolarHBondContact NE2-O 3.18Å; Q200-S264 WeakPolarHBondContact O-CB 3.3Å; Q200-S264 PolarHBondContact O-OG 3.42Å; Q200-Y335 HydrophobicContact CG-CE1 4.04Å
201	N	98.1	Very high	98	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.182	22%	0.219	C	C	.	.			trans	-121.3	66.2	-173.2	-63.9	-81.1	0	0	0	113.1	T197 Y198 L199 S264 N265 T266	T197-N201 WeakPolarHBondContact O-CB 3.3Å; T197-N201 PolarHBondContact O-N 2.98Å; T197-N201 VanDerWaalsContact O-N 3.12Å; T197-N201 PolarHBondContact O-ND2 3.22Å; Y198-N201 PolarHBondContact O-N 3.25Å; L199-N201 VanDerWaalsContact C-N 3.27Å; L199-N201 PolarHBondContact O-N 2.81Å; N201-S264 PolarHBondContact OD1-OG 3.2Å; N201-N265 WeakPolarHBondContact OD1-CB 3.32Å; N201-N265 PolarHBondContact OD1-N 2.65Å; N201-T266 WeakPolarHBondContact CA-OG1 3.38Å; N201-T266 HydrophobicContact CB-CG2 4.37Å; N201-T266 WeakPolarHBondContact CB-OG1 3.45Å; N201-T266 PolarHBondContact OD1-N 3.19Å; N201-T266 PolarHBondContact OD1-OG1 3.02Å
202	P	97.6	Very high	98.1	Very high	20 Å²	20	40.8 Å²	40.8	13%	0.13	21%	0.214	C	C	.	.			trans	-66	145.4	177.2	30.3	-35.4	0	0	0	110.8	Q200 D204 A208 T266 C267	Q200-P202 VanDerWaalsContact O-CD 3.23Å; Q200-P202 WeakPolarHBondContact O-CD 3.34Å; P202-D204 VanDerWaalsContact C-N 3.26Å; P202-D204 PolarHBondContact O-N 2.78Å; P202-A208 HydrophobicContact CB-CB 3.86Å; P202-A208 HydrophobicContact CG-CB 3.61Å; P202-T266 PolarHBondContact O-OG1 2.69Å; P202-C267 HydrophobicContact CG-CB 3.66Å
203	P	96.1	Very high	98.1	Very high	144 Å²	144	40.8 Å²	40.8	94%	0.935	21%	0.214	S	C	*	.	S	Bend	trans	-66.4	-27.1	-179.6	26.3	-34.7	0	0	0	113.5
204	D	97.1	Very high	98.1	Very high	57 Å²	57	42.6 Å²	42.6	31%	0.305	23%	0.225	S	C	.	.			trans	-131.6	97.4	178.3	-175.6	-10.4	0	0	0	109.6	P202 S206 K207 A208	P202-D204 VanDerWaalsContact C-N 3.26Å; P202-D204 PolarHBondContact O-N 2.78Å; D204-S206 PolarHBondContact O-N 3.08Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 2.64Å; D204-S206 VanDerWaalsContact OD1-N 3.07Å; D204-S206 PolarHBondContact OD1-OG 2.79Å; D204-K207 PolarHBondContact O-N 2.94Å; D204-K207 VanDerWaalsContact OD2-CD 3.27Å; D204-K207 WeakPolarHBondContact OD2-CD 3.15Å; D204-K207 VanDerWaalsContact OD2-CE 3.25Å; D204-K207 WeakPolarHBondContact OD2-CE 3.31Å; D204-K207 IonicContact OD2-NZ 2.79Å; D204-K207 PolarHBondContact OD2-NZ 3.06Å; D204-A208 PolarHBondContact O-N 2.54Å; D204-A208 VanDerWaalsContact O-N 3.16Å
205	C	97.8	Very high	98	Very high	23 Å²	23	41.1 Å²	41.1	16%	0.155	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.6	-179.3	-175	0	0	0	0	113	K207 A208 K210 C267	C205-K207 PolarHBondContact O-N 3.28Å; C205-A208 PolarHBondContact O-N 3.37Å; C205-K210 WeakPolarHBondContact O-CE 3.28Å; C205-K210 PolarHBondContact O-NZ 3.17Å; C205-K210 PolarHBondContact SG-NZ 3.12Å; C205-C267 WeakPolarHBondContact CA-SG 3.47Å; C205-C267 HydrophobicContact CB-CB 3.49Å; C205-C267 VanDerWaalsContact CB-CB 3.49Å; C205-C267 WeakPolarHBondContact CB-SG 3.47Å; C205-C267 WeakPolarHBondContact SG-CA 3.38Å; C205-C267 WeakPolarHBondContact SG-CB 3.37Å; C205-C267 CovalentContact SG-SG 2.04Å; C205-C267 PolarHBondContact SG-SG 2.04Å
206	S	97.4	Very high	97.9	Very high	68 Å²	68	42.9 Å²	42.9	48%	0.476	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.6	-178.5	74.8	0	0	0	0	112.7	D204 Q288	D204-S206 PolarHBondContact O-N 3.08Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 2.64Å; D204-S206 VanDerWaalsContact OD1-N 3.07Å; D204-S206 PolarHBondContact OD1-OG 2.79Å; S206-Q288 PolarHBondContact O-NE2 2.98Å
207	K	97.2	Very high	97.7	Very high	155 Å²	155	44.7 Å²	44.7	67%	0.674	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-9.7	179.8	-63.7	179.6	-167.7	134.3	0	113.6	D204 C205	D204-K207 PolarHBondContact O-N 2.94Å; D204-K207 VanDerWaalsContact OD2-CD 3.27Å; D204-K207 WeakPolarHBondContact OD2-CD 3.15Å; D204-K207 VanDerWaalsContact OD2-CE 3.25Å; D204-K207 WeakPolarHBondContact OD2-CE 3.31Å; D204-K207 IonicContact OD2-NZ 2.79Å; D204-K207 PolarHBondContact OD2-NZ 3.06Å; C205-K207 PolarHBondContact O-N 3.28Å
208	A	98	Very high	97.5	Very high	11 Å²	11	45.4 Å²	45.4	9%	0.091	25%	0.254	C	S	.	.	S	Bend	trans	-61.1	143.8	178.5	0	0	0	0	0	110.9	P202 D204 C205 Q288	P202-A208 HydrophobicContact CB-CB 3.86Å; P202-A208 HydrophobicContact CG-CB 3.61Å; D204-A208 PolarHBondContact O-N 2.54Å; D204-A208 VanDerWaalsContact O-N 3.16Å; C205-A208 PolarHBondContact O-N 3.37Å; A208-Q288 WeakPolarHBondContact O-CG 3.38Å; A208-Q288 PolarHBondContact O-NE2 3.41Å
209	R	98.4	Very high	97.2	Very high	107 Å²	107	42.3 Å²	42.3	40%	0.404	25%	0.246	S	C	.	.			trans	-78.7	133.3	166.5	-65.3	-178.3	171.3	-143.2	-13.3	108.2	R240 T241 K285 Q288	R209-R240 HydrophobicContact CB-CG 4.05Å; R209-R240 CarbonylContact O-C 3.52Å; R209-R240 WeakPolarHBondContact O-CA 3.46Å; R209-T241 PolarHBondContact O-N 3Å; R209-K285 PolarHBondContact NH1-O 2.89Å; R209-K285 PolarHBondContact NH2-O 3.45Å; R209-Q288 CarbonylContact C-O 3.53Å; R209-Q288 WeakPolarHBondContact CA-O 3.25Å
210	K	98.8	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.7	-169.8	-57.4	175.9	-170.9	-178	0	110.6	C205 R240 T241 I243 D269 S271 Q288 V289 V290	C205-K210 WeakPolarHBondContact O-CE 3.28Å; C205-K210 PolarHBondContact O-NZ 3.17Å; C205-K210 PolarHBondContact SG-NZ 3.12Å; K210-R240 PolarHBondContact O-NH1 3.28Å; K210-T241 WeakPolarHBondContact CA-O 3.11Å; K210-I243 HydrophobicContact CB-CG1 3.94Å; K210-I243 HydrophobicContact CD-CD1 4.3Å; K210-I243 HydrophobicContact CD-CG1 4.07Å; K210-I243 HydrophobicContact CG-CD1 4.48Å; K210-I243 HydrophobicContact CG-CG1 4.14Å; K210-D269 WeakPolarHBondContact CD-O 3.38Å; K210-D269 WeakPolarHBondContact CE-O 3.32Å; K210-D269 PolarHBondContact NZ-O 3.1Å; K210-D269 IonicContact NZ-OD1 3.78Å; K210-S271 WeakPolarHBondContact CE-O 3.27Å; K210-S271 PolarHBondContact NZ-O 3.24Å; K210-Q288 PolarHBondContact N-O 2.99Å; K210-V289 HydrophobicContact CB-CG1 4.24Å; K210-V289 HydrophobicContact CB-CG2 4.22Å; K210-V289 HydrophobicContact CD-CG2 4.16Å; K210-V290 PolarHBondContact O-N 3.44Å
211	L	98.8	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.4	167.8	-173.9	150.3	0	0	0	107.7	C231 I234 A235 R240 T241 L242 I243 V290 L292	L211-C231 HydrophobicContact CD2-CB 4.26Å; L211-I234 HydrophobicContact CD1-CB 4.38Å; L211-I234 HydrophobicContact CD1-CG2 3.73Å; L211-A235 HydrophobicContact CB-CB 4.08Å; L211-A235 HydrophobicContact CD1-CB 4.26Å; L211-A235 HydrophobicContact CD2-CB 4.35Å; L211-A235 HydrophobicContact CG-CB 4.47Å; L211-R240 HydrophobicContact CB-CB 3.81Å; L211-T241 PolarHBondContact N-O 3.08Å; L211-L242 HydrophobicContact CD2-CD1 4.04Å; L211-L242 WeakPolarHBondContact O-CA 3.31Å; L211-I243 PolarHBondContact O-N 3.29Å; L211-V290 CarbonylContact C-O 3.53Å; L211-V290 WeakPolarHBondContact CA-O 3.35Å; L211-L292 HydrophobicContact CD1-CB 4.42Å; L211-L292 HydrophobicContact CD1-CD1 4.49Å; L211-L292 HydrophobicContact CD1-CD2 4.25Å; L211-L292 HydrophobicContact CD2-CB 3.77Å; L211-L292 HydrophobicContact CD2-CD2 3.92Å; L211-L292 HydrophobicContact CD2-CG 4.46Å; L211-L292 HydrophobicContact CG-CB 4.15Å
212	V	98.8	Very high	96.7	Very high	5 Å²	5	42 Å²	42	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.3	-178.6	-177.6	0	0	0	0	109	I243 E245 R270 V289 V290 E291 L292	V212-I243 WeakPolarHBondContact CA-O 3.19Å; V212-I243 HydrophobicContact CG2-CB 4.32Å; V212-E245 HydrophobicContact CG1-CG 3.85Å; V212-R270 HydrophobicContact CG2-CB 4.24Å; V212-V289 HydrophobicContact CG2-CG1 3.5Å; V212-V289 VanDerWaalsContact CG2-CG1 3.5Å; V212-V290 PolarHBondContact N-O 2.84Å; V212-E291 HydrophobicContact CB-CG 4.24Å; V212-L292 PolarHBondContact O-N 2.95Å
213	C	98.6	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131	176.3	-174.1	0	0	0	0	109.5	C231 L242 I243 E245	C213-C231 HydrophobicContact CB-CB 3.43Å; C213-C231 VanDerWaalsContact CB-CB 3.43Å; C213-C231 WeakPolarHBondContact CB-SG 3.37Å; C213-C231 WeakPolarHBondContact SG-CB 3.5Å; C213-C231 CovalentContact SG-SG 2.04Å; C213-C231 PolarHBondContact SG-SG 3.18Å; C213-L242 HydrophobicContact CB-CD1 3.67Å; C213-I243 PolarHBondContact N-O 3.21Å; C213-E245 PolarHBondContact O-N 3.38Å
214	N	97.9	Very high	96.7	Very high	66 Å²	66	35.2 Å²	35.2	35%	0.353	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.4	178.8	-167.5	-58.6	0	0	0	110.4	N216 H227 E245	N214-N216 PolarHBondContact O-N 3.24Å; N214-N216 VanDerWaalsContact O-N 3.16Å; N214-N216 VanDerWaalsContact OD1-CB 3.26Å; N214-N216 WeakPolarHBondContact OD1-CB 3.41Å; N214-N216 PolarHBondContact OD1-N 3.28Å; N214-N216 PolarHBondContact OD1-ND2 2.85Å; N214-H227 PolarHBondContact O-CD2 3.46Å; N214-H227 VanDerWaalsContact O-CD2 3.23Å; N214-H227 PolarHBondContact O-NE2 3.03Å; N214-E245 PolarHBondContact ND2-OE2 2.91Å
215	I	97.3	Very high	96.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.192	C	C	.	.	S	Bend	trans	-66.6	-19.1	-175	-162.8	167.7	0	0	0	113.6	K217 Q224 V228 L244 E245 W249 W256	I215-K217 PolarHBondContact O-N 3.4Å; I215-Q224 HydrophobicContact CG1-CB 4.3Å; I215-V228 HydrophobicContact CB-CG2 4.46Å; I215-V228 HydrophobicContact CD1-CG2 4.32Å; I215-V228 HydrophobicContact CG1-CG2 3.97Å; I215-L244 HydrophobicContact CB-CD1 4.21Å; I215-E245 PolarHBondContact N-O 3.31Å; I215-W249 HydrophobicContact CD1-CD2 4.12Å; I215-W249 HydrophobicContact CD1-CG 4.49Å; I215-W249 HydrophobicContact CD1-CH2 4.45Å; I215-W249 HydrophobicContact CD1-CZ2 3.95Å; I215-W249 HydrophobicContact CG2-CB 4.1Å; I215-W249 HydrophobicContact CG2-CG 3.95Å; I215-W256 HydrophobicContact CD1-CE3 3.66Å; I215-W256 HydrophobicContact CD1-CZ3 4.02Å
216	N	95.6	Very high	96.9	Very high	49 Å²	49	32 Å²	32	26%	0.262	19%	0.187	S	C	.	.			trans	-77.3	36.3	-166.5	-68.4	-54	0	0	0	115.2	N214 H247 N248 W249	N214-N216 PolarHBondContact O-N 3.24Å; N214-N216 VanDerWaalsContact O-N 3.16Å; N214-N216 VanDerWaalsContact OD1-CB 3.26Å; N214-N216 WeakPolarHBondContact OD1-CB 3.41Å; N214-N216 PolarHBondContact OD1-N 3.28Å; N214-N216 PolarHBondContact OD1-ND2 2.85Å; N216-H247 PolarHBondContact ND2-O 3.37Å; N216-H247 VanDerWaalsContact ND2-O 3.07Å; N216-N248 PolarHBondContact OD1-O 2.97Å; N216-W249 VanDerWaalsContact OD1-CA 3.29Å; N216-W249 WeakPolarHBondContact OD1-CA 3.34Å
217	K	94.7	Very high	96.9	Very high	38 Å²	38	29.1 Å²	29.1	17%	0.165	17%	0.166	C	C	.	.			trans	-56.5	141.1	168.8	-172.6	173	-173.4	179.4	0	110.4	I215 C219 Q224 H227 R250 I294 D296	I215-K217 PolarHBondContact O-N 3.4Å; K217-C219 PolarHBondContact O-N 3.03Å; K217-Q224 HydrophobicContact CB-CG 4.49Å; K217-Q224 PolarHBondContact O-NE2 3.15Å; K217-H227 HydrophobicContact CB-CB 4.48Å; K217-H227 HydrophobicContact CD-CB 4.05Å; K217-R250 VanDerWaalsContact O-CZ 3.32Å; K217-R250 PolarHBondContact O-NH2 3.27Å; K217-I294 HydrophobicContact CB-CG2 4.25Å; K217-I294 HydrophobicContact CD-CB 4.38Å; K217-I294 HydrophobicContact CD-CG2 3.94Å; K217-I294 HydrophobicContact CG-CG2 3.91Å; K217-D296 WeakPolarHBondContact CE-OD2 3.38Å; K217-D296 IonicContact NZ-OD2 2.65Å; K217-D296 PolarHBondContact NZ-OD2 3.1Å
218	G	93.3	Very high	97	Very high	73 Å²	73	21.8 Å²	21.8	75%	0.753	13%	0.134	S	C	*	.	S	Bend	trans	-64.7	49	-178.8	0	0	0	0	0	116.5
219	C	92.6	Very high	97	Very high	26 Å²	26	21.2 Å²	21.2	18%	0.176	13%	0.129	C	C	.	.	S	Bend	trans	-151.5	-176	-177.4	58.2	0	0	0	0	112.7	K217 C223 R250	K217-C219 PolarHBondContact O-N 3.03Å; C219-C223 HydrophobicContact CB-CB 3.6Å; C219-C223 WeakPolarHBondContact CB-SG 2.97Å; C219-C223 WeakPolarHBondContact SG-CB 3.37Å; C219-C223 CovalentContact SG-SG 2.03Å; C219-C223 PolarHBondContact SG-SG 2.94Å; C219-R250 PolarHBondContact O-NH1 3.42Å
220	G	92.6	Very high	97	Very high	24 Å²	24	16.2 Å²	16.2	25%	0.247	11%	0.11	C	C	.	.			trans	-78.6	175.2	177.9	0	0	0	0	0	114.1	G222 C223 Q224 Y251	G220-G222 PolarHBondContact O-N 2.92Å; G220-C223 PolarHBondContact O-N 3.47Å; G220-C223 VanDerWaalsContact O-N 3.14Å; G220-Q224 PolarHBondContact O-N 3.27Å; G220-Y251 VanDerWaalsContact CA-OH 3.28Å; G220-Y251 WeakPolarHBondContact CA-OH 3.21Å
221	Y	95.8	Very high	97	Very high	11 Å²	11	16.2 Å²	16.2	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-50.2	-54.4	-172.9	171.7	-103.9	0	0	0	113.8	C223 Q224 L225 W249 Y251 F260 L448 V451 I452 I455	Y221-C223 VanDerWaalsContact C-N 3.29Å; Y221-C223 PolarHBondContact O-N 2.62Å; Y221-Q224 PolarHBondContact O-N 3.39Å; Y221-L225 HydrophobicContact CE1-CD2 4.41Å; Y221-L225 PolarHBondContact O-N 3.5Å; Y221-W249 HydrophobicContact CD2-CH2 4.3Å; Y221-W249 AromaticContact CD2-CZ2 3.99Å; Y221-W249 HydrophobicContact CD2-CZ2 3.99Å; Y221-W249 HydrophobicContact CE2-CH2 4.25Å; Y221-W249 HydrophobicContact CE2-CZ2 4.32Å; Y221-Y251 PolarHBondContact N-OH 3.12Å; Y221-F260 HydrophobicContact CE2-CE2 4.4Å; Y221-F260 WeakPolarHBondContact OH-CE2 3.38Å; Y221-F260 WeakPolarHBondContact OH-CZ 3.47Å; Y221-L448 HydrophobicContact CD2-CD1 3.5Å; Y221-L448 HydrophobicContact CE2-CD1 3.79Å; Y221-L448 HydrophobicContact CG-CD1 4.25Å; Y221-V451 HydrophobicContact CD1-CG1 3.91Å; Y221-V451 HydrophobicContact CD1-CG2 4.21Å; Y221-V451 HydrophobicContact CG-CG1 4Å; Y221-I452 HydrophobicContact CE1-CG1 4.37Å; Y221-I452 HydrophobicContact CE2-CG1 4.36Å; Y221-I455 HydrophobicContact CD1-CD1 3.8Å; Y221-I455 HydrophobicContact CE1-CD1 3.58Å
222	G	96.5	Very high	97	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-39.3	-178.5	0	0	0	0	0	113	G220 L225 H226	G220-G222 PolarHBondContact O-N 2.92Å; G222-L225 PolarHBondContact O-N 3.18Å; G222-H226 PolarHBondContact O-N 3.07Å
223	C	96.6	Very high	97	Very high	22 Å²	22	16 Å²	16	15%	0.149	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-37.2	174.9	165	0	0	0	0	112.8	C219 G220 Y221 H227 Q471	C219-C223 HydrophobicContact CB-CB 3.6Å; C219-C223 WeakPolarHBondContact CB-SG 2.97Å; C219-C223 WeakPolarHBondContact SG-CB 3.37Å; C219-C223 CovalentContact SG-SG 2.03Å; C219-C223 PolarHBondContact SG-SG 2.94Å; G220-C223 PolarHBondContact O-N 3.47Å; G220-C223 VanDerWaalsContact O-N 3.14Å; Y221-C223 VanDerWaalsContact C-N 3.29Å; Y221-C223 PolarHBondContact O-N 2.62Å; C223-H227 PolarHBondContact O-N 3.26Å; C223-Q471 HydrophobicContact CB-CG 4.12Å
224	Q	98	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-40.7	174.6	-70	-179.6	-31.3	0	0	111.8	I215 K217 G220 Y221 H227 V228 R250	I215-Q224 HydrophobicContact CG1-CB 4.3Å; K217-Q224 HydrophobicContact CB-CG 4.49Å; K217-Q224 PolarHBondContact O-NE2 3.15Å; G220-Q224 PolarHBondContact O-N 3.27Å; Y221-Q224 PolarHBondContact O-N 3.39Å; Q224-H227 WeakPolarHBondContact O-CB 3.45Å; Q224-H227 PolarHBondContact O-N 3.37Å; Q224-H227 VanDerWaalsContact O-N 3.15Å; Q224-V228 WeakPolarHBondContact O-CG2 3.39Å; Q224-V228 PolarHBondContact O-N 2.91Å; Q224-R250 VanDerWaalsContact NE2-NE 3.12Å
225	L	98.6	Very high	97.1	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-45.9	173.9	-179.4	61.7	0	0	0	111.1	Y221 G222 H227 V228 V229 W256 V333 L336 V337 V475	Y221-L225 HydrophobicContact CE1-CD2 4.41Å; Y221-L225 PolarHBondContact O-N 3.5Å; G222-L225 PolarHBondContact O-N 3.18Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 3.03Å; L225-V228 PolarHBondContact O-N 3.48Å; L225-V228 VanDerWaalsContact O-N 3.1Å; L225-V229 WeakPolarHBondContact O-CG2 3.17Å; L225-V229 PolarHBondContact O-N 3.38Å; L225-W256 HydrophobicContact CD1-CH2 3.87Å; L225-W256 HydrophobicContact CD1-CZ3 4.41Å; L225-V333 HydrophobicContact CD2-CG1 4.49Å; L225-L336 HydrophobicContact CD1-CB 4.38Å; L225-L336 HydrophobicContact CD1-CD1 4.28Å; L225-V337 HydrophobicContact CD1-CG1 4.23Å; L225-V337 HydrophobicContact CD2-CG1 4.08Å; L225-V475 HydrophobicContact CD2-CG1 3.59Å; L225-V475 HydrophobicContact CD2-CG2 4.05Å
226	H	98.7	Very high	97.2	Very high	11 Å²	11	12.9 Å²	12.9	5%	0.051	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-34.9	173.5	-73.6	159.9	0	0	0	112.7	G222 V229 Y230 E478 F500	G222-H226 PolarHBondContact O-N 3.07Å; H226-V229 PolarHBondContact O-N 2.86Å; H226-Y230 WeakPolarHBondContact O-CB 3.12Å; H226-Y230 PolarHBondContact O-N 2.99Å; H226-E478 IonicContact CD2-OE1 2.88Å; H226-E478 IonicContact CD2-OE2 3.75Å; H226-E478 IonicContact CE1-OE1 3.7Å; H226-E478 IonicContact CE1-OE2 2.97Å; H226-E478 VanDerWaalsContact NE2-CD 3.28Å; H226-E478 IonicContact NE2-OE1 3.53Å; H226-E478 PolarHBondContact NE2-OE1 3.4Å; H226-E478 IonicContact NE2-OE2 3.33Å; H226-E478 PolarHBondContact NE2-OE2 3.09Å; H226-F500 HydrophobicContact CB-CE2 4.04Å; H226-F500 HydrophobicContact CB-CZ 4.05Å; H226-F500 AromaticContact CD2-CE2 3.74Å; H226-F500 AromaticContact CG-CE2 3.99Å; H226-F500 VanDerWaalsContact O-CZ 3.29Å; H226-F500 WeakPolarHBondContact O-CZ 3.32Å
227	H	98.6	Very high	97.3	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-44.7	171.9	176.7	45.8	0	0	0	112	N214 K217 C223 Q224 L225 Y230 C231	N214-H227 PolarHBondContact O-CD2 3.46Å; N214-H227 VanDerWaalsContact O-CD2 3.23Å; N214-H227 PolarHBondContact O-NE2 3.03Å; K217-H227 HydrophobicContact CB-CB 4.48Å; K217-H227 HydrophobicContact CD-CB 4.05Å; C223-H227 PolarHBondContact O-N 3.26Å; Q224-H227 WeakPolarHBondContact O-CB 3.45Å; Q224-H227 PolarHBondContact O-N 3.37Å; Q224-H227 VanDerWaalsContact O-N 3.15Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 3.03Å; H227-Y230 AromaticContact ND1-CD1 3.71Å; H227-Y230 WeakPolarHBondContact O-CB 3.39Å; H227-Y230 WeakPolarHBondContact O-CD1 3.25Å; H227-Y230 PolarHBondContact O-N 2.93Å; H227-C231 PolarHBondContact O-N 2.98Å; H227-C231 PolarHBondContact O-SG 3.28Å; H227-C231 VanDerWaalsContact O-SG 3.41Å
228	V	98.8	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.7	-40.1	176.9	-177	0	0	0	0	111.3	I215 Q224 L225 Y230 C231 F232 L242 L244 L336	I215-V228 HydrophobicContact CB-CG2 4.46Å; I215-V228 HydrophobicContact CD1-CG2 4.32Å; I215-V228 HydrophobicContact CG1-CG2 3.97Å; Q224-V228 WeakPolarHBondContact O-CG2 3.39Å; Q224-V228 PolarHBondContact O-N 2.91Å; L225-V228 PolarHBondContact O-N 3.48Å; L225-V228 VanDerWaalsContact O-N 3.1Å; V228-Y230 PolarHBondContact O-N 3.41Å; V228-C231 WeakPolarHBondContact O-CB 3.08Å; V228-C231 PolarHBondContact O-N 3.19Å; V228-F232 WeakPolarHBondContact O-CB 3.35Å; V228-F232 PolarHBondContact O-N 2.96Å; V228-L242 HydrophobicContact CG1-CD2 4.34Å; V228-L244 HydrophobicContact CG1-CD1 4Å; V228-L244 HydrophobicContact CG1-CD2 4.34Å; V228-L244 HydrophobicContact CG2-CD1 3.77Å; V228-L336 HydrophobicContact CB-CD1 4.24Å; V228-L336 HydrophobicContact CG1-CD1 3.77Å; V228-L336 HydrophobicContact CG1-CD2 3.7Å; V228-L336 HydrophobicContact CG1-CG 4.4Å
229	V	98.9	Very high	97.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.9	-46.4	174.3	170.4	0	0	0	0	111.3	L225 H226 C231 F232 M233 V329 F332 V333 L336 F500	L225-V229 WeakPolarHBondContact O-CG2 3.17Å; L225-V229 PolarHBondContact O-N 3.38Å; H226-V229 PolarHBondContact O-N 2.86Å; V229-C231 PolarHBondContact O-N 3.1Å; V229-F232 WeakPolarHBondContact O-CB 3.46Å; V229-F232 PolarHBondContact O-N 3.27Å; V229-F232 VanDerWaalsContact O-N 3.12Å; V229-M233 HydrophobicContact CG1-CG 4.45Å; V229-M233 HydrophobicContact CG1-SD 4.17Å; V229-M233 WeakPolarHBondContact O-CG 3.38Å; V229-M233 PolarHBondContact O-N 3.39Å; V229-V329 HydrophobicContact CG1-CG1 4.05Å; V229-F332 HydrophobicContact CG1-CB 4.02Å; V229-V333 HydrophobicContact CG2-CG2 3.67Å; V229-L336 HydrophobicContact CG2-CD1 3.68Å; V229-F500 HydrophobicContact CB-CE2 4.34Å; V229-F500 HydrophobicContact CB-CZ 4.35Å; V229-F500 HydrophobicContact CG1-CE2 3.93Å; V229-F500 HydrophobicContact CG1-CZ 4.14Å
230	Y	98.6	Very high	98	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-56.3	-47.8	174.9	148.6	-93.9	0	0	0	111.9	H226 H227 V228 F232 M233 I234 L292 P293 V295 L298 L305	H226-Y230 WeakPolarHBondContact O-CB 3.12Å; H226-Y230 PolarHBondContact O-N 2.99Å; H227-Y230 AromaticContact ND1-CD1 3.71Å; H227-Y230 WeakPolarHBondContact O-CB 3.39Å; H227-Y230 WeakPolarHBondContact O-CD1 3.25Å; H227-Y230 PolarHBondContact O-N 2.93Å; V228-Y230 PolarHBondContact O-N 3.41Å; Y230-F232 VanDerWaalsContact C-N 3.26Å; Y230-F232 PolarHBondContact O-N 3.31Å; Y230-M233 PolarHBondContact O-N 2.9Å; Y230-I234 HydrophobicContact CD2-CD1 3.92Å; Y230-I234 HydrophobicContact CE1-CD1 4.35Å; Y230-I234 HydrophobicContact CE2-CD1 3.24Å; Y230-I234 HydrophobicContact CE2-CG1 4.41Å; Y230-I234 VanDerWaalsContact CZ-CD1 3.48Å; Y230-I234 PolarHBondContact O-N 2.97Å; Y230-L292 HydrophobicContact CD1-CD2 4.33Å; Y230-L292 HydrophobicContact CE1-CD2 3.53Å; Y230-L292 HydrophobicContact CE1-CG 4.13Å; Y230-P293 WeakPolarHBondContact CE1-O 3.33Å; Y230-V295 HydrophobicContact CD1-CB 4.48Å; Y230-V295 HydrophobicContact CD2-CB 4.04Å; Y230-V295 HydrophobicContact CD2-CG2 4Å; Y230-V295 HydrophobicContact CE1-CB 4.31Å; Y230-V295 HydrophobicContact CE2-CB 3.81Å; Y230-V295 HydrophobicContact CE2-CG2 3.73Å; Y230-V295 HydrophobicContact CG-CB 4.37Å; Y230-L298 HydrophobicContact CE2-CD2 3.67Å; Y230-L298 WeakPolarHBondContact OH-CD1 3.39Å; Y230-L298 WeakPolarHBondContact OH-CD2 3.29Å; Y230-L298 WeakPolarHBondContact OH-CG 3.42Å; Y230-L305 HydrophobicContact CD2-CD2 3.57Å; Y230-L305 HydrophobicContact CE2-CD2 3.54Å
231	C	98.8	Very high	98.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.2	-42.1	176.1	-69.4	0	0	0	0	111.3	L211 C213 H227 V228 V229 I234 A235 L242 L292	L211-C231 HydrophobicContact CD2-CB 4.26Å; C213-C231 HydrophobicContact CB-CB 3.43Å; C213-C231 VanDerWaalsContact CB-CB 3.43Å; C213-C231 WeakPolarHBondContact CB-SG 3.37Å; C213-C231 WeakPolarHBondContact SG-CB 3.5Å; C213-C231 CovalentContact SG-SG 2.04Å; C213-C231 PolarHBondContact SG-SG 3.18Å; H227-C231 PolarHBondContact O-N 2.98Å; H227-C231 PolarHBondContact O-SG 3.28Å; H227-C231 VanDerWaalsContact O-SG 3.41Å; V228-C231 WeakPolarHBondContact O-CB 3.08Å; V228-C231 PolarHBondContact O-N 3.19Å; V229-C231 PolarHBondContact O-N 3.1Å; C231-I234 PolarHBondContact O-N 3.34Å; C231-A235 WeakPolarHBondContact O-CB 3.48Å; C231-A235 PolarHBondContact O-N 3.05Å; C231-L242 HydrophobicContact CB-CD1 4.01Å; C231-L292 HydrophobicContact CB-CD2 4.11Å
232	F	98.9	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.3	-39	-177.2	-151.2	170.1	0	0	0	112.5	I196 Q200 V228 V229 Y230 I234 A235 Y236 L242 V263 F332 Y335 L336	I196-F232 HydrophobicContact CG2-CE1 4.06Å; I196-F232 HydrophobicContact CG2-CE2 3.93Å; I196-F232 HydrophobicContact CG2-CZ 3.33Å; Q200-F232 HydrophobicContact CG-CE2 3.76Å; Q200-F232 HydrophobicContact CG-CZ 3.57Å; V228-F232 WeakPolarHBondContact O-CB 3.35Å; V228-F232 PolarHBondContact O-N 2.96Å; V229-F232 WeakPolarHBondContact O-CB 3.46Å; V229-F232 PolarHBondContact O-N 3.27Å; V229-F232 VanDerWaalsContact O-N 3.12Å; Y230-F232 VanDerWaalsContact C-N 3.26Å; Y230-F232 PolarHBondContact O-N 3.31Å; F232-I234 VanDerWaalsContact C-N 3.32Å; F232-I234 PolarHBondContact O-N 2.92Å; F232-A235 PolarHBondContact O-N 3.37Å; F232-Y236 VanDerWaalsContact O-CB 3.3Å; F232-Y236 WeakPolarHBondContact O-CB 3.36Å; F232-Y236 PolarHBondContact O-N 2.81Å; F232-L242 HydrophobicContact CB-CD2 3.69Å; F232-L242 HydrophobicContact CD1-CD2 3.87Å; F232-L242 HydrophobicContact CD2-CB 4.03Å; F232-L242 HydrophobicContact CD2-CD2 3.79Å; F232-L242 HydrophobicContact CE1-CD2 4.42Å; F232-L242 HydrophobicContact CE2-CB 4.2Å; F232-L242 HydrophobicContact CE2-CD2 4.34Å; F232-L242 HydrophobicContact CG-CD2 3.51Å; F232-V263 HydrophobicContact CE1-CG1 4.02Å; F232-V263 HydrophobicContact CZ-CG1 4.1Å; F232-F332 HydrophobicContact CB-CD1 3.82Å; F232-F332 HydrophobicContact CB-CE1 4.48Å; F232-F332 HydrophobicContact CD1-CB 4.33Å; F232-F332 AromaticContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD2-CD1 4.07Å; F232-F332 HydrophobicContact CD2-CE1 4.29Å; F232-F332 HydrophobicContact CE1-CD1 4.41Å; F232-F332 AromaticContact CG-CD1 3.62Å; F232-F332 HydrophobicContact CG-CD1 3.62Å; F232-F332 HydrophobicContact CG-CE1 4.26Å; F232-Y335 AromaticContact CE1-CD1 3.52Å; F232-Y335 HydrophobicContact CE1-CD1 3.52Å; F232-Y335 HydrophobicContact CE1-CE1 4.16Å; F232-Y335 HydrophobicContact CE1-CG 4.14Å; F232-Y335 AromaticContact CZ-CD1 3.75Å; F232-Y335 HydrophobicContact CZ-CD1 3.75Å; F232-Y335 AromaticContact CZ-CE1 3.98Å; F232-Y335 HydrophobicContact CZ-CE1 3.98Å; F232-Y335 HydrophobicContact CZ-CG 4.37Å; F232-L336 HydrophobicContact CD1-CD1 4.14Å; F232-L336 HydrophobicContact CD1-CD2 3.85Å; F232-L336 HydrophobicContact CD1-CG 3.88Å; F232-L336 HydrophobicContact CE1-CD2 4.01Å; F232-L336 HydrophobicContact CE1-CG 4.16Å
233	M	98.8	Very high	98.6	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-61.7	-40.6	174.9	-71.1	179.3	67.7	0	0	111.9	V229 Y230 G237 P306 V329 F332	V229-M233 HydrophobicContact CG1-CG 4.45Å; V229-M233 HydrophobicContact CG1-SD 4.17Å; V229-M233 WeakPolarHBondContact O-CG 3.38Å; V229-M233 PolarHBondContact O-N 3.39Å; Y230-M233 PolarHBondContact O-N 2.9Å; M233-G237 PolarHBondContact O-N 3.44Å; M233-P306 HydrophobicContact CE-CG 3.69Å; M233-P306 HydrophobicContact SD-CG 3.72Å; M233-V329 HydrophobicContact SD-CG2 4.31Å; M233-F332 HydrophobicContact CG-CD1 4.39Å; M233-F332 HydrophobicContact CG-CD2 3.6Å; M233-F332 HydrophobicContact CG-CE1 4.32Å; M233-F332 HydrophobicContact CG-CE2 3.55Å; M233-F332 HydrophobicContact CG-CG 4.03Å; M233-F332 HydrophobicContact CG-CZ 3.92Å; M233-F332 HydrophobicContact SD-CD2 4.4Å
234	I	98.8	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-70.6	-42.2	175.5	-67.2	170	0	0	0	111	L211 Y230 C231 F232 Y236 G237 T238 W278 L292 L298 P302 L305	L211-I234 HydrophobicContact CD1-CB 4.38Å; L211-I234 HydrophobicContact CD1-CG2 3.73Å; Y230-I234 HydrophobicContact CD2-CD1 3.92Å; Y230-I234 HydrophobicContact CE1-CD1 4.35Å; Y230-I234 HydrophobicContact CE2-CD1 3.24Å; Y230-I234 HydrophobicContact CE2-CG1 4.41Å; Y230-I234 VanDerWaalsContact CZ-CD1 3.48Å; Y230-I234 PolarHBondContact O-N 2.97Å; C231-I234 PolarHBondContact O-N 3.34Å; F232-I234 VanDerWaalsContact C-N 3.32Å; F232-I234 PolarHBondContact O-N 2.92Å; I234-Y236 VanDerWaalsContact C-N 3.27Å; I234-Y236 PolarHBondContact O-N 2.73Å; I234-G237 PolarHBondContact O-N 2.65Å; I234-G237 VanDerWaalsContact O-N 3.17Å; I234-T238 HydrophobicContact CG2-CG2 4.18Å; I234-T238 WeakPolarHBondContact O-CB 3.06Å; I234-T238 WeakPolarHBondContact O-CG2 3.32Å; I234-T238 PolarHBondContact O-N 3.24Å; I234-T238 PolarHBondContact O-OG1 3.08Å; I234-W278 HydrophobicContact CG2-CH2 4.43Å; I234-W278 HydrophobicContact CG2-CZ3 4.2Å; I234-L292 HydrophobicContact CB-CD2 4.25Å; I234-L292 HydrophobicContact CD1-CD1 4.24Å; I234-L292 HydrophobicContact CD1-CD2 3.78Å; I234-L292 HydrophobicContact CG2-CD1 4.38Å; I234-L292 HydrophobicContact CG2-CD2 4.4Å; I234-L298 HydrophobicContact CD1-CD2 4.12Å; I234-P302 HydrophobicContact CD1-CG 3.68Å; I234-P302 HydrophobicContact CG1-CG 3.81Å; I234-P302 HydrophobicContact CG2-CG 4.28Å; I234-L305 HydrophobicContact CD1-CD2 3.97Å; I234-L305 HydrophobicContact CG1-CD2 4.25Å
235	A	98.8	Very high	98.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.5	-43.7	175.4	0	0	0	0	0	110.9	L211 C231 F232 T238 Q239 R240 L242	L211-A235 HydrophobicContact CB-CB 4.08Å; L211-A235 HydrophobicContact CD1-CB 4.26Å; L211-A235 HydrophobicContact CD2-CB 4.35Å; L211-A235 HydrophobicContact CG-CB 4.47Å; C231-A235 WeakPolarHBondContact O-CB 3.48Å; C231-A235 PolarHBondContact O-N 3.05Å; F232-A235 PolarHBondContact O-N 3.37Å; A235-T238 PolarHBondContact O-N 2.99Å; A235-T238 PolarHBondContact O-OG1 3.38Å; A235-Q239 PolarHBondContact O-N 3.38Å; A235-R240 CarbonylContact C-O 3.58Å; A235-R240 WeakPolarHBondContact CB-O 3.41Å; A235-R240 PolarHBondContact O-N 3.48Å; A235-L242 HydrophobicContact CB-CB 4.08Å
236	Y	98.9	Very high	98.6	Very high	1 Å²	1	12.1 Å²	12.1	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-64.9	-41.4	174.5	-175.3	-78.6	0	0	0	112.9	R195 I196 L199 F232 I234 W328 F332 Y568 P569 Y571	R195-Y236 HydrophobicContact CB-CE2 4Å; R195-Y236 WeakPolarHBondContact CD-OH 2.98Å; I196-Y236 HydrophobicContact CG1-CD2 3.99Å; I196-Y236 HydrophobicContact CG1-CE2 4.06Å; L199-Y236 HydrophobicContact CD2-CD2 4.03Å; L199-Y236 HydrophobicContact CD2-CG 4.35Å; F232-Y236 VanDerWaalsContact O-CB 3.3Å; F232-Y236 WeakPolarHBondContact O-CB 3.36Å; F232-Y236 PolarHBondContact O-N 2.81Å; I234-Y236 VanDerWaalsContact C-N 3.27Å; I234-Y236 PolarHBondContact O-N 2.73Å; Y236-W328 HydrophobicContact CD1-CH2 4.09Å; Y236-W328 HydrophobicContact CD1-CZ2 4.08Å; Y236-W328 AromaticContact CE1-CH2 3.74Å; Y236-W328 HydrophobicContact CE1-CH2 3.74Å; Y236-W328 HydrophobicContact CE1-CZ2 4.08Å; Y236-W328 AromaticContact CZ-CH2 3.99Å; Y236-F332 HydrophobicContact CD1-CZ 4.44Å; Y236-F332 HydrophobicContact CD2-CE1 4.23Å; Y236-F332 HydrophobicContact CD2-CZ 4.37Å; Y236-F332 HydrophobicContact CG-CE1 4.08Å; Y236-F332 HydrophobicContact CG-CZ 4.04Å; Y236-Y568 AromaticContact CD1-CD1 3.58Å; Y236-Y568 HydrophobicContact CD1-CD1 3.58Å; Y236-Y568 HydrophobicContact CD1-CE1 4.07Å; Y236-Y568 AromaticContact CE1-CD1 3.89Å; Y236-Y568 HydrophobicContact CE1-CD1 3.89Å; Y236-Y568 HydrophobicContact CE1-CG 4.45Å; Y236-P569 WeakPolarHBondContact O-CG 3.48Å; Y236-P569 PolarHBondContact OH-O 3.08Å; Y236-Y571 HydrophobicContact CD1-CE2 4.12Å; Y236-Y571 AromaticContact CD2-CE2 3.89Å; Y236-Y571 HydrophobicContact CD2-CE2 3.89Å; Y236-Y571 HydrophobicContact CE1-CD2 4.34Å; Y236-Y571 AromaticContact CE1-CE2 3.72Å; Y236-Y571 HydrophobicContact CE1-CE2 3.72Å; Y236-Y571 AromaticContact CE2-CD2 3.87Å; Y236-Y571 HydrophobicContact CE2-CD2 3.87Å; Y236-Y571 AromaticContact CE2-CE2 3.49Å; Y236-Y571 HydrophobicContact CE2-CE2 3.49Å; Y236-Y571 VanDerWaalsContact CE2-CE2 3.49Å; Y236-Y571 HydrophobicContact CG-CE2 4.18Å; Y236-Y571 AromaticContact CZ-CD2 3.66Å; Y236-Y571 AromaticContact CZ-CE2 3.38Å; Y236-Y571 PolarHBondContact O-OH 3.22Å; Y236-Y571 WeakPolarHBondContact OH-CD2 3.47Å
237	G	98.5	Very high	98.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-37.7	175.8	0	0	0	0	0	113.7	M233 I234 Y304 P569	M233-G237 PolarHBondContact O-N 3.44Å; I234-G237 PolarHBondContact O-N 2.65Å; I234-G237 VanDerWaalsContact O-N 3.17Å; G237-Y304 PolarHBondContact O-OH 2.8Å; G237-P569 WeakPolarHBondContact O-CD 2.93Å; G237-P569 WeakPolarHBondContact O-CG 3.49Å
238	T	98.5	Very high	98.1	Very high	14 Å²	14	24.8 Å²	24.8	9%	0.086	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	5	-174.7	58.1	0	0	0	0	114.1	I234 A235 R240 W278 E281 Y304	I234-T238 HydrophobicContact CG2-CG2 4.18Å; I234-T238 WeakPolarHBondContact O-CB 3.06Å; I234-T238 WeakPolarHBondContact O-CG2 3.32Å; I234-T238 PolarHBondContact O-N 3.24Å; I234-T238 PolarHBondContact O-OG1 3.08Å; A235-T238 PolarHBondContact O-N 2.99Å; A235-T238 PolarHBondContact O-OG1 3.38Å; T238-R240 VanDerWaalsContact C-N 3.31Å; T238-R240 PolarHBondContact O-N 2.59Å; T238-W278 HydrophobicContact CG2-CH2 4.49Å; T238-W278 HydrophobicContact CG2-CZ3 4.36Å; T238-E281 HydrophobicContact CG2-CG 4.22Å; T238-Y304 HydrophobicContact CG2-CD2 4.2Å; T238-Y304 HydrophobicContact CG2-CE2 3.99Å
239	Q	98.6	Very high	98	Very high	118 Å²	118	24.9 Å²	24.9	55%	0.551	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	43.3	-178.6	-53.4	174.9	46.5	0	0	112.8	A235 P569 Y571	A235-Q239 PolarHBondContact O-N 3.38Å; Q239-P569 HydrophobicContact CG-CB 3.75Å; Q239-P569 HydrophobicContact CG-CG 3.45Å; Q239-P569 VanDerWaalsContact CG-CG 3.45Å; Q239-Y571 WeakPolarHBondContact CA-OH 3.44Å; Q239-Y571 HydrophobicContact CG-CE1 4.2Å
240	R	98.7	Very high	97.7	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.03	14%	0.137	C	C	.	.			trans	-114.9	133.7	177.7	-66.4	-179.8	175.1	-82.3	-3.2	109.8	R209 K210 L211 A235 T238 L242 D284 V287 Q288 V290	R209-R240 HydrophobicContact CB-CG 4.05Å; R209-R240 CarbonylContact O-C 3.52Å; R209-R240 WeakPolarHBondContact O-CA 3.46Å; K210-R240 PolarHBondContact O-NH1 3.28Å; L211-R240 HydrophobicContact CB-CB 3.81Å; A235-R240 CarbonylContact C-O 3.58Å; A235-R240 WeakPolarHBondContact CB-O 3.41Å; A235-R240 PolarHBondContact O-N 3.48Å; T238-R240 VanDerWaalsContact C-N 3.31Å; T238-R240 PolarHBondContact O-N 2.59Å; R240-L242 PolarHBondContact O-N 3.01Å; R240-D284 PolarHBondContact NH2-O 3.4Å; R240-V287 VanDerWaalsContact CZ-O 3.3Å; R240-V287 PolarHBondContact NH1-O 3.15Å; R240-V287 PolarHBondContact NH2-O 2.96Å; R240-Q288 PolarHBondContact NH1-O 2.61Å; R240-V290 VanDerWaalsContact CZ-CG2 3.47Å
241	T	98.8	Very high	97.5	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.9	170.3	-59	0	0	0	0	108.8	L199 R209 K210 L211 I243 C267	L199-T241 PolarHBondContact O-OG1 3.37Å; R209-T241 PolarHBondContact O-N 3Å; K210-T241 WeakPolarHBondContact CA-O 3.11Å; L211-T241 PolarHBondContact N-O 3.08Å; T241-I243 HydrophobicContact CG2-CD1 4.29Å; T241-I243 PolarHBondContact O-N 2.86Å; T241-C267 HydrophobicContact CG2-CB 4.24Å
242	L	98.9	Very high	97.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.4	175.5	176.1	64.6	0	0	0	109.6	Q200 L211 C213 V228 C231 F232 A235 R240 V263	Q200-L242 PolarHBondContact NE2-O 3.05Å; L211-L242 HydrophobicContact CD2-CD1 4.04Å; L211-L242 WeakPolarHBondContact O-CA 3.31Å; C213-L242 HydrophobicContact CB-CD1 3.67Å; V228-L242 HydrophobicContact CG1-CD2 4.34Å; C231-L242 HydrophobicContact CB-CD1 4.01Å; F232-L242 HydrophobicContact CB-CD2 3.69Å; F232-L242 HydrophobicContact CD1-CD2 3.87Å; F232-L242 HydrophobicContact CD2-CB 4.03Å; F232-L242 HydrophobicContact CD2-CD2 3.79Å; F232-L242 HydrophobicContact CE1-CD2 4.42Å; F232-L242 HydrophobicContact CE2-CB 4.2Å; F232-L242 HydrophobicContact CE2-CD2 4.34Å; F232-L242 HydrophobicContact CG-CD2 3.51Å; A235-L242 HydrophobicContact CB-CB 4.08Å; R240-L242 PolarHBondContact O-N 3.01Å; L242-V263 HydrophobicContact CD2-CG1 4.06Å
243	I	98.8	Very high	97.1	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.6	169.4	-54	-59.6	0	0	0	107.5	K210 L211 V212 C213 T241 C267 R270	K210-I243 HydrophobicContact CB-CG1 3.94Å; K210-I243 HydrophobicContact CD-CD1 4.3Å; K210-I243 HydrophobicContact CD-CG1 4.07Å; K210-I243 HydrophobicContact CG-CD1 4.48Å; K210-I243 HydrophobicContact CG-CG1 4.14Å; L211-I243 PolarHBondContact O-N 3.29Å; V212-I243 WeakPolarHBondContact CA-O 3.19Å; V212-I243 HydrophobicContact CG2-CB 4.32Å; C213-I243 PolarHBondContact N-O 3.21Å; T241-I243 HydrophobicContact CG2-CD1 4.29Å; T241-I243 PolarHBondContact O-N 2.86Å; I243-C267 VanDerWaalsContact CD1-O 3.28Å; I243-C267 WeakPolarHBondContact CD1-O 2.96Å; I243-R270 HydrophobicContact CG2-CB 4.16Å
244	L	98.6	Very high	96.9	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.6	-179.1	-178.7	61.6	0	0	0	110	I215 V228 W256 V263	I215-L244 HydrophobicContact CB-CD1 4.21Å; V228-L244 HydrophobicContact CG1-CD1 4Å; V228-L244 HydrophobicContact CG1-CD2 4.34Å; V228-L244 HydrophobicContact CG2-CD1 3.77Å; L244-W256 HydrophobicContact CD2-CB 3.88Å; L244-W256 HydrophobicContact CD2-CD2 3.63Å; L244-W256 HydrophobicContact CD2-CE3 4.02Å; L244-W256 HydrophobicContact CD2-CG 3.58Å; L244-V263 HydrophobicContact CB-CG2 3.83Å; L244-V263 HydrophobicContact CD2-CG2 3.78Å; L244-V263 HydrophobicContact CG-CG2 4.48Å
245	E	97.9	Very high	96.8	Very high	52 Å²	52	35.6 Å²	35.6	24%	0.243	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.2	170	-70.7	-173.3	159.4	0	0	109.8	V212 C213 N214 I215 R270	V212-E245 HydrophobicContact CG1-CG 3.85Å; C213-E245 PolarHBondContact O-N 3.38Å; N214-E245 PolarHBondContact ND2-OE2 2.91Å; I215-E245 PolarHBondContact N-O 3.31Å; E245-R270 WeakPolarHBondContact OE1-CD 3.38Å; E245-R270 IonicContact OE1-CZ 2.69Å; E245-R270 IonicContact OE1-NE 3.08Å; E245-R270 IonicContact OE1-NH1 2.78Å; E245-R270 PolarHBondContact OE1-NH1 3.41Å; E245-R270 IonicContact OE2-NH1 3.45Å
246	S	97.1	Very high	96.7	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.042	19%	0.19	C	C	.	.			trans	-121.9	6.4	-177.6	55.1	0	0	0	0	115.2	W249 G255 W256	S246-W249 VanDerWaalsContact O-CB 3.23Å; S246-W249 WeakPolarHBondContact O-CB 3.35Å; S246-W249 PolarHBondContact O-N 3.44Å; S246-G255 VanDerWaalsContact O-CA 3.22Å; S246-G255 WeakPolarHBondContact O-CA 3.36Å; S246-W256 VanDerWaalsContact CB-N 3.29Å; S246-W256 WeakPolarHBondContact OG-CB 3.37Å; S246-W256 PolarHBondContact OG-N 2.94Å
247	H	92.9	Very high	96.6	Very high	147 Å²	147	39.1 Å²	39.1	68%	0.681	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	146.5	174.5	-70.3	-57.6	0	0	0	111.5	N216 W249	N216-H247 PolarHBondContact ND2-O 3.37Å; N216-H247 VanDerWaalsContact ND2-O 3.07Å; H247-W249 PolarHBondContact O-N 3.14Å
248	N	93.6	Very high	96.6	Very high	138 Å²	138	40.8 Å²	40.8	74%	0.738	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.1	-176.4	-56.7	-42.8	0	0	0	113.3	N216 R250 P253	N216-N248 PolarHBondContact OD1-O 2.97Å; N248-R250 PolarHBondContact O-N 3.05Å; N248-P253 PolarHBondContact N-O 3.12Å
249	W	96.6	Very high	96.5	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.214	C	C	.	.			trans	-64.3	125.7	176	-178.8	40.7	0	0	0	111.1	I215 N216 Y221 S246 H247 Y251 A252 V259 L448	I215-W249 HydrophobicContact CD1-CD2 4.12Å; I215-W249 HydrophobicContact CD1-CG 4.49Å; I215-W249 HydrophobicContact CD1-CH2 4.45Å; I215-W249 HydrophobicContact CD1-CZ2 3.95Å; I215-W249 HydrophobicContact CG2-CB 4.1Å; I215-W249 HydrophobicContact CG2-CG 3.95Å; N216-W249 VanDerWaalsContact OD1-CA 3.29Å; N216-W249 WeakPolarHBondContact OD1-CA 3.34Å; Y221-W249 HydrophobicContact CD2-CH2 4.3Å; Y221-W249 AromaticContact CD2-CZ2 3.99Å; Y221-W249 HydrophobicContact CD2-CZ2 3.99Å; Y221-W249 HydrophobicContact CE2-CH2 4.25Å; Y221-W249 HydrophobicContact CE2-CZ2 4.32Å; S246-W249 VanDerWaalsContact O-CB 3.23Å; S246-W249 WeakPolarHBondContact O-CB 3.35Å; S246-W249 PolarHBondContact O-N 3.44Å; H247-W249 PolarHBondContact O-N 3.14Å; W249-Y251 AromaticContact CE2-CD2 3.85Å; W249-Y251 AromaticContact CZ2-CD2 3.99Å; W249-Y251 HydrophobicContact CZ2-CD2 3.99Å; W249-Y251 HydrophobicContact CZ2-CG 4.26Å; W249-Y251 AromaticContact NE1-CD2 3.6Å; W249-Y251 PolarHBondContact O-N 3.39Å; W249-A252 WeakPolarHBondContact CB-O 3.4Å; W249-A252 HydrophobicContact CE3-CB 3.86Å; W249-A252 HydrophobicContact CZ3-CB 4.2Å; W249-A252 CarbonylContact O-C 3.5Å; W249-A252 PolarHBondContact O-N 3.41Å; W249-V259 HydrophobicContact CZ3-CG2 4.2Å; W249-L448 HydrophobicContact CE3-CD2 4.35Å; W249-L448 HydrophobicContact CH2-CD1 3.62Å; W249-L448 HydrophobicContact CH2-CD2 3.56Å; W249-L448 HydrophobicContact CH2-CG 4.24Å; W249-L448 HydrophobicContact CZ2-CD1 4.04Å; W249-L448 HydrophobicContact CZ2-CD2 4.46Å; W249-L448 HydrophobicContact CZ3-CD1 4.43Å; W249-L448 HydrophobicContact CZ3-CD2 3.49Å; W249-L448 VanDerWaalsContact CZ3-CD2 3.49Å
250	R	93.1	Very high	96.5	Very high	80 Å²	80	34.9 Å²	34.9	30%	0.302	19%	0.188	S	C	.	.	S	Bend	trans	-54.5	-27.2	-174.6	69.4	-175.8	64.3	-172.7	-7.2	114.6	K217 C219 Q224 N248 Y443	K217-R250 VanDerWaalsContact O-CZ 3.32Å; K217-R250 PolarHBondContact O-NH2 3.27Å; C219-R250 PolarHBondContact O-NH1 3.42Å; Q224-R250 VanDerWaalsContact NE2-NE 3.12Å; N248-R250 PolarHBondContact O-N 3.05Å; R250-Y443 HydrophobicContact CB-CD1 4.42Å; R250-Y443 HydrophobicContact CG-CD1 3.81Å; R250-Y443 HydrophobicContact CG-CE1 4.33Å; R250-Y443 CarbonylContact O-C 3.53Å
251	Y	94.3	Very high	96.5	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.043	20%	0.201	C	C	.	.	S	Bend	trans	-88.1	-35.5	179.5	-77.7	-79.8	0	0	0	112.5	G220 Y221 W249 R442 Y443 T444 E445 L448	G220-Y251 VanDerWaalsContact CA-OH 3.28Å; G220-Y251 WeakPolarHBondContact CA-OH 3.21Å; Y221-Y251 PolarHBondContact N-OH 3.12Å; W249-Y251 AromaticContact CE2-CD2 3.85Å; W249-Y251 AromaticContact CZ2-CD2 3.99Å; W249-Y251 HydrophobicContact CZ2-CD2 3.99Å; W249-Y251 HydrophobicContact CZ2-CG 4.26Å; W249-Y251 AromaticContact NE1-CD2 3.6Å; W249-Y251 PolarHBondContact O-N 3.39Å; Y251-R442 WeakPolarHBondContact CE1-O 3.33Å; Y251-Y443 HydrophobicContact CD1-CD1 4.42Å; Y251-Y443 HydrophobicContact CD2-CD1 4.46Å; Y251-Y443 AromaticContact CE1-CD1 3.96Å; Y251-Y443 HydrophobicContact CE1-CD1 3.96Å; Y251-Y443 HydrophobicContact CE1-CE1 4.42Å; Y251-Y443 AromaticContact CE2-CD1 3.98Å; Y251-Y443 HydrophobicContact CE2-CD1 3.98Å; Y251-Y443 HydrophobicContact CE2-CE1 4.08Å; Y251-Y443 AromaticContact CZ-CD1 3.71Å; Y251-Y443 AromaticContact CZ-CE1 3.79Å; Y251-T444 CarbonylContact O-C 3.52Å; Y251-E445 VanDerWaalsContact O-CA 3.32Å; Y251-E445 WeakPolarHBondContact O-CA 3.39Å; Y251-E445 WeakPolarHBondContact O-CG 3.29Å; Y251-E445 PolarHBondContact O-N 3.04Å; Y251-L448 HydrophobicContact CD1-CB 4.04Å; Y251-L448 HydrophobicContact CD1-CD1 4.21Å; Y251-L448 HydrophobicContact CG-CB 4.43Å; Y251-L448 HydrophobicContact CG-CD1 4.14Å
252	A	95.8	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.			trans	-148.2	101.5	179.5	0	0	0	0	0	108.8	W249 G254 G255 T258 E445 L448	W249-A252 WeakPolarHBondContact CB-O 3.4Å; W249-A252 HydrophobicContact CE3-CB 3.86Å; W249-A252 HydrophobicContact CZ3-CB 4.2Å; W249-A252 CarbonylContact O-C 3.5Å; W249-A252 PolarHBondContact O-N 3.41Å; A252-G254 PolarHBondContact O-N 3.14Å; A252-G255 PolarHBondContact O-N 3.01Å; A252-T258 HydrophobicContact CB-CG2 4.11Å; A252-E445 HydrophobicContact CB-CG 3.8Å; A252-L448 HydrophobicContact CB-CD2 3.97Å
253	P	94	Very high	96.4	Very high	86 Å²	86	38.7 Å²	38.7	56%	0.558	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27	-175.9	-27.8	35.6	0	0	0	114.1	N248 G255	N248-P253 PolarHBondContact N-O 3.12Å; P253-G255 PolarHBondContact O-N 3.49Å
254	G	93.3	Very high	96.4	Very high	51 Å²	51	38.6 Å²	38.6	53%	0.526	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	173.5	0	0	0	0	0	114.9	A252	A252-G254 PolarHBondContact O-N 3.14Å
255	G	96.5	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.			trans	102.6	-165.8	174.4	0	0	0	0	0	114.9	S246 A252 P253 E257 T258	S246-G255 VanDerWaalsContact O-CA 3.22Å; S246-G255 WeakPolarHBondContact O-CA 3.36Å; A252-G255 PolarHBondContact O-N 3.01Å; P253-G255 PolarHBondContact O-N 3.49Å; G255-E257 VanDerWaalsContact C-N 3.31Å; G255-E257 PolarHBondContact O-N 3.46Å; G255-T258 WeakPolarHBondContact O-CB 3.45Å; G255-T258 PolarHBondContact O-N 3.17Å; G255-T258 PolarHBondContact O-OG1 2.92Å
256	W	97.8	Very high	96.3	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.6	-41.3	-174.9	177.8	-99.9	0	0	0	111.7	I215 L225 L244 S246 T258 V259 F260 L261 L336	I215-W256 HydrophobicContact CD1-CE3 3.66Å; I215-W256 HydrophobicContact CD1-CZ3 4.02Å; L225-W256 HydrophobicContact CD1-CH2 3.87Å; L225-W256 HydrophobicContact CD1-CZ3 4.41Å; L244-W256 HydrophobicContact CD2-CB 3.88Å; L244-W256 HydrophobicContact CD2-CD2 3.63Å; L244-W256 HydrophobicContact CD2-CE3 4.02Å; L244-W256 HydrophobicContact CD2-CG 3.58Å; S246-W256 VanDerWaalsContact CB-N 3.29Å; S246-W256 WeakPolarHBondContact OG-CB 3.37Å; S246-W256 PolarHBondContact OG-N 2.94Å; W256-T258 PolarHBondContact O-N 3.45Å; W256-T258 VanDerWaalsContact O-N 3.09Å; W256-V259 PolarHBondContact O-N 3.39Å; W256-V259 VanDerWaalsContact O-N 3.09Å; W256-F260 HydrophobicContact CD2-CB 4.22Å; W256-F260 AromaticContact CD2-CD2 3.99Å; W256-F260 HydrophobicContact CD2-CD2 3.99Å; W256-F260 AromaticContact CE2-CD2 3.68Å; W256-F260 AromaticContact CE2-CG 3.98Å; W256-F260 AromaticContact CE3-CD2 3.98Å; W256-F260 HydrophobicContact CE3-CD2 3.98Å; W256-F260 AromaticContact CH2-CD2 3.4Å; W256-F260 HydrophobicContact CH2-CD2 3.4Å; W256-F260 VanDerWaalsContact CH2-CD2 3.4Å; W256-F260 AromaticContact CH2-CE2 3.81Å; W256-F260 HydrophobicContact CH2-CE2 3.81Å; W256-F260 HydrophobicContact CH2-CG 4.24Å; W256-F260 HydrophobicContact CZ2-CB 3.79Å; W256-F260 AromaticContact CZ2-CD2 3.4Å; W256-F260 HydrophobicContact CZ2-CD2 3.4Å; W256-F260 HydrophobicContact CZ2-CE2 4.22Å; W256-F260 AromaticContact CZ2-CG 3.8Å; W256-F260 HydrophobicContact CZ2-CG 3.8Å; W256-F260 AromaticContact CZ3-CD2 3.71Å; W256-F260 HydrophobicContact CZ3-CD2 3.71Å; W256-F260 HydrophobicContact CZ3-CE2 4.05Å; W256-F260 PolarHBondContact O-N 2.9Å; W256-L261 PolarHBondContact NE1-O 3.24Å; W256-L336 HydrophobicContact CH2-CB 4.18Å; W256-L336 HydrophobicContact CZ2-CB 3.9Å; W256-L336 HydrophobicContact CZ2-CD2 4.33Å; W256-L336 VanDerWaalsContact CZ2-O 3.29Å; W256-L336 WeakPolarHBondContact CZ2-O 3.29Å
257	E	97.3	Very high	96.4	Very high	74 Å²	74	44.1 Å²	44.1	35%	0.346	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-66.1	-11.7	-177.1	-66	83.7	173	0	0	113.5	G255 V259 F260 P262 Q340	G255-E257 VanDerWaalsContact C-N 3.31Å; G255-E257 PolarHBondContact O-N 3.46Å; E257-V259 PolarHBondContact O-N 3.38Å; E257-F260 VanDerWaalsContact CA-O 3.29Å; E257-F260 WeakPolarHBondContact CA-O 3.34Å; E257-P262 HydrophobicContact CG-CB 4.09Å; E257-Q340 PolarHBondContact O-NE2 2.8Å
258	T	97	Very high	96.5	Very high	37 Å²	37	41.4 Å²	41.4	23%	0.227	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-55.6	-43.3	169.1	-60.5	0	0	0	0	110.3	A252 G255 W256 W342	A252-T258 HydrophobicContact CB-CG2 4.11Å; G255-T258 WeakPolarHBondContact O-CB 3.45Å; G255-T258 PolarHBondContact O-N 3.17Å; G255-T258 PolarHBondContact O-OG1 2.92Å; W256-T258 PolarHBondContact O-N 3.45Å; W256-T258 VanDerWaalsContact O-N 3.09Å; T258-W342 VanDerWaalsContact O-CE2 3.22Å; T258-W342 WeakPolarHBondContact O-CZ2 3.45Å; T258-W342 PolarHBondContact O-NE1 3.35Å
259	V	97.5	Very high	96.6	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-33.4	-172.5	-70.9	0	0	0	0	114.5	W249 W256 E257 Q340 W342 L343 L448 I452	W249-V259 HydrophobicContact CZ3-CG2 4.2Å; W256-V259 PolarHBondContact O-N 3.39Å; W256-V259 VanDerWaalsContact O-N 3.09Å; E257-V259 PolarHBondContact O-N 3.38Å; V259-Q340 PolarHBondContact O-N 3.13Å; V259-W342 HydrophobicContact CB-CZ2 4.32Å; V259-W342 HydrophobicContact CG1-CH2 3.98Å; V259-W342 HydrophobicContact CG1-CZ2 3.77Å; V259-L343 HydrophobicContact CB-CD2 4.24Å; V259-L343 VanDerWaalsContact O-CD2 3.24Å; V259-L343 WeakPolarHBondContact O-CD2 3.43Å; V259-L448 HydrophobicContact CG1-CD2 3.83Å; V259-L448 HydrophobicContact CG1-CG 4.42Å; V259-L448 HydrophobicContact CG2-CD2 4.07Å; V259-I452 HydrophobicContact CB-CD1 4.05Å; V259-I452 HydrophobicContact CG1-CD1 4.09Å; V259-I452 HydrophobicContact CG2-CD1 4.06Å
260	F	98.6	Very high	96.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-118.4	161.9	-174.9	-64.4	-57.1	0	0	0	111.8	Y221 W256 E257 V337 R338 Q340 L343 I452	Y221-F260 HydrophobicContact CE2-CE2 4.4Å; Y221-F260 WeakPolarHBondContact OH-CE2 3.38Å; Y221-F260 WeakPolarHBondContact OH-CZ 3.47Å; W256-F260 HydrophobicContact CD2-CB 4.22Å; W256-F260 AromaticContact CD2-CD2 3.99Å; W256-F260 HydrophobicContact CD2-CD2 3.99Å; W256-F260 AromaticContact CE2-CD2 3.68Å; W256-F260 AromaticContact CE2-CG 3.98Å; W256-F260 AromaticContact CE3-CD2 3.98Å; W256-F260 HydrophobicContact CE3-CD2 3.98Å; W256-F260 AromaticContact CH2-CD2 3.4Å; W256-F260 HydrophobicContact CH2-CD2 3.4Å; W256-F260 VanDerWaalsContact CH2-CD2 3.4Å; W256-F260 AromaticContact CH2-CE2 3.81Å; W256-F260 HydrophobicContact CH2-CE2 3.81Å; W256-F260 HydrophobicContact CH2-CG 4.24Å; W256-F260 HydrophobicContact CZ2-CB 3.79Å; W256-F260 AromaticContact CZ2-CD2 3.4Å; W256-F260 HydrophobicContact CZ2-CD2 3.4Å; W256-F260 HydrophobicContact CZ2-CE2 4.22Å; W256-F260 AromaticContact CZ2-CG 3.8Å; W256-F260 HydrophobicContact CZ2-CG 3.8Å; W256-F260 AromaticContact CZ3-CD2 3.71Å; W256-F260 HydrophobicContact CZ3-CD2 3.71Å; W256-F260 HydrophobicContact CZ3-CE2 4.05Å; W256-F260 PolarHBondContact O-N 2.9Å; E257-F260 VanDerWaalsContact CA-O 3.29Å; E257-F260 WeakPolarHBondContact CA-O 3.34Å; F260-V337 HydrophobicContact CD1-CB 4.32Å; F260-V337 HydrophobicContact CE1-CB 3.81Å; F260-V337 HydrophobicContact CE1-CG1 4.36Å; F260-V337 HydrophobicContact CZ-CB 4.14Å; F260-V337 HydrophobicContact CZ-CG1 4.19Å; F260-R338 CarbonylContact C-O 3.59Å; F260-R338 WeakPolarHBondContact CA-O 3.26Å; F260-Q340 PolarHBondContact O-NE2 3.12Å; F260-L343 HydrophobicContact CD1-CD2 4.38Å; F260-L343 HydrophobicContact CE1-CD2 4.1Å; F260-I452 HydrophobicContact CE2-CD1 4.04Å; F260-I452 HydrophobicContact CZ-CD1 3.76Å; F260-I452 HydrophobicContact CZ-CG1 4.09Å; F260-I452 HydrophobicContact CZ-CG2 4.34Å
261	L	98.6	Very high	96.7	Very high	57 Å²	57	41.8 Å²	41.8	30%	0.298	25%	0.245	S	C	.	.			trans	-64.9	150.9	171.8	-64.4	-176.5	0	0	0	110.6	W256 R338	W256-L261 PolarHBondContact NE1-O 3.24Å; L261-R338 HydrophobicContact CB-CB 4.25Å; L261-R338 HydrophobicContact CD1-CB 3.92Å; L261-R338 HydrophobicContact CG-CB 4.17Å; L261-R338 PolarHBondContact N-O 3.45Å
262	P	97.9	Very high	96.7	Very high	32 Å²	32	42.7 Å²	42.7	21%	0.208	26%	0.258	C	S	.	.			trans	-58.4	148.1	172.7	27.2	-35.7	0	0	0	110.4	E257 S264 T268 R338	E257-P262 HydrophobicContact CG-CB 4.09Å; P262-S264 PolarHBondContact O-N 3.39Å; P262-T268 HydrophobicContact CB-CG2 4.4Å; P262-R338 PolarHBondContact O-NH2 2.87Å; P262-R338 VanDerWaalsContact O-NH2 3.15Å
263	V	97.8	Very high	96.8	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	30%	0.298	C	S	.	.	S	Bend	trans	-70	-13.9	-177.2	-157.6	0	0	0	0	111.7	Q200 F232 L242 L244 Y335 L336	Q200-V263 WeakPolarHBondContact CB-O 3.37Å; Q200-V263 WeakPolarHBondContact CG-O 3.5Å; Q200-V263 PolarHBondContact NE2-O 3.18Å; F232-V263 HydrophobicContact CE1-CG1 4.02Å; F232-V263 HydrophobicContact CZ-CG1 4.1Å; L242-V263 HydrophobicContact CD2-CG1 4.06Å; L244-V263 HydrophobicContact CB-CG2 3.83Å; L244-V263 HydrophobicContact CD2-CG2 3.78Å; L244-V263 HydrophobicContact CG-CG2 4.48Å; V263-Y335 HydrophobicContact CG1-CD1 4.41Å; V263-Y335 HydrophobicContact CG1-CE1 4.08Å; V263-Y335 WeakPolarHBondContact O-CE1 3.17Å; V263-Y335 PolarHBondContact O-OH 3.12Å; V263-L336 HydrophobicContact CG1-CD2 3.97Å; V263-L336 HydrophobicContact CG2-CD2 4.27Å
264	S	98.4	Very high	96.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	29%	0.286	C	S	.	.			trans	-143.2	145.4	172.8	179	0	0	0	0	110.2	Q200 N201 P262 T266 C267 T268	Q200-S264 WeakPolarHBondContact O-CB 3.3Å; Q200-S264 PolarHBondContact O-OG 3.42Å; N201-S264 PolarHBondContact OD1-OG 3.2Å; P262-S264 PolarHBondContact O-N 3.39Å; S264-T266 PolarHBondContact OG-N 2.9Å; S264-T266 VanDerWaalsContact OG-N 3.17Å; S264-C267 WeakPolarHBondContact CB-O 3.5Å; S264-C267 PolarHBondContact OG-N 2.92Å; S264-C267 PolarHBondContact OG-O 2.91Å; S264-T268 WeakPolarHBondContact O-CG2 3.5Å
265	N	97.2	Very high	97.2	Very high	119 Å²	119	46.5 Å²	46.5	64%	0.636	28%	0.281	S	S	*	.	S	Bend	trans	-90.8	-16.4	172.4	-63.3	-30.3	0	0	0	112.7	N201	N201-N265 WeakPolarHBondContact OD1-CB 3.32Å; N201-N265 PolarHBondContact OD1-N 2.65Å
266	T	97.9	Very high	97.2	Very high	76 Å²	76	47.5 Å²	47.5	47%	0.466	29%	0.292	S	S	.	.	S	Bend	trans	-124.4	-16.4	-170.4	54.9	0	0	0	0	113.3	N201 P202 S264	N201-T266 WeakPolarHBondContact CA-OG1 3.38Å; N201-T266 HydrophobicContact CB-CG2 4.37Å; N201-T266 WeakPolarHBondContact CB-OG1 3.45Å; N201-T266 PolarHBondContact OD1-N 3.19Å; N201-T266 PolarHBondContact OD1-OG1 3.02Å; P202-T266 PolarHBondContact O-OG1 2.69Å; S264-T266 PolarHBondContact OG-N 2.9Å; S264-T266 VanDerWaalsContact OG-N 3.17Å
267	C	97.8	Very high	97.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	32%	0.323	C	S	.	.			trans	-147	89.6	-176.5	-165.4	0	0	0	0	112.5	P202 C205 T241 I243 S264	P202-C267 HydrophobicContact CG-CB 3.66Å; C205-C267 WeakPolarHBondContact CA-SG 3.47Å; C205-C267 HydrophobicContact CB-CB 3.49Å; C205-C267 VanDerWaalsContact CB-CB 3.49Å; C205-C267 WeakPolarHBondContact CB-SG 3.47Å; C205-C267 WeakPolarHBondContact SG-CA 3.38Å; C205-C267 WeakPolarHBondContact SG-CB 3.37Å; C205-C267 CovalentContact SG-SG 2.04Å; C205-C267 PolarHBondContact SG-SG 2.04Å; T241-C267 HydrophobicContact CG2-CB 4.24Å; I243-C267 VanDerWaalsContact CD1-O 3.28Å; I243-C267 WeakPolarHBondContact CD1-O 2.96Å; S264-C267 WeakPolarHBondContact CB-O 3.5Å; S264-C267 PolarHBondContact OG-N 2.92Å; S264-C267 PolarHBondContact OG-O 2.91Å
268	T	96.6	Very high	97.3	Very high	90 Å²	90	51.6 Å²	51.6	55%	0.552	31%	0.31	S	S	*	.			trans	-110.2	-9.3	175.7	53.1	0	0	0	0	112.8	P262 S264	P262-T268 HydrophobicContact CB-CG2 4.4Å; S264-T268 WeakPolarHBondContact O-CG2 3.5Å
269	D	94.4	Very high	97.3	Very high	79 Å²	79	52.3 Å²	52.3	42%	0.422	32%	0.317	S	S	.	.			trans	-86.9	139.1	-177.8	170.9	-97.5	0	0	0	112	K210 S271	K210-D269 WeakPolarHBondContact CD-O 3.38Å; K210-D269 WeakPolarHBondContact CE-O 3.32Å; K210-D269 PolarHBondContact NZ-O 3.1Å; K210-D269 IonicContact NZ-OD1 3.78Å; D269-S271 WeakPolarHBondContact OD1-CA 3.23Å; D269-S271 WeakPolarHBondContact OD1-CB 3.32Å; D269-S271 PolarHBondContact OD1-N 3.03Å; D269-S271 PolarHBondContact OD1-OG 3.33Å
270	R	95.9	Very high	97.2	Very high	85 Å²	85	52.4 Å²	52.4	32%	0.321	32%	0.318	S	S	.	.			trans	-88.1	1	-178.3	67.2	169.6	-76.4	170	-2.7	115	V212 I243 E245 E291	V212-R270 HydrophobicContact CG2-CB 4.24Å; I243-R270 HydrophobicContact CG2-CB 4.16Å; E245-R270 WeakPolarHBondContact OE1-CD 3.38Å; E245-R270 IonicContact OE1-CZ 2.69Å; E245-R270 IonicContact OE1-NE 3.08Å; E245-R270 IonicContact OE1-NH1 2.78Å; E245-R270 PolarHBondContact OE1-NH1 3.41Å; E245-R270 IonicContact OE2-NH1 3.45Å; R270-E291 IonicContact CZ-OE1 3.37Å; R270-E291 IonicContact NH1-OE1 3.8Å; R270-E291 IonicContact NH2-OE1 3.97Å; R270-E291 PolarHBondContact NH2-OE1 3.14Å
271	S	95.9	Very high	97.1	Very high	62 Å²	62	56.1 Å²	56.1	43%	0.434	34%	0.336	S	S	.	.			trans	-64.1	152	-177.4	72.2	0	0	0	0	112.2	K210 D269	K210-S271 WeakPolarHBondContact CE-O 3.27Å; K210-S271 PolarHBondContact NZ-O 3.24Å; D269-S271 WeakPolarHBondContact OD1-CA 3.23Å; D269-S271 WeakPolarHBondContact OD1-CB 3.32Å; D269-S271 PolarHBondContact OD1-N 3.03Å; D269-S271 PolarHBondContact OD1-OG 3.33Å
272	G	95.4	Very high	96.9	Very high	31 Å²	31	57.6 Å²	57.6	32%	0.32	36%	0.356	S	S	.	.			trans	-175.6	164.4	175.9	0	0	0	0	0	110.6	S274 Q288	G272-S274 VanDerWaalsContact C-N 3.28Å; G272-S274 PolarHBondContact O-N 2.92Å; G272-Q288 VanDerWaalsContact CA-OE1 3.24Å
273	A	96.4	Very high	96.8	Very high	101 Å²	101	63 Å²	63	84%	0.835	38%	0.378	S	S	*	.	S	Bend	trans	-67	-28.5	179.5	0	0	0	0	0	112.9
274	S	97.6	Very high	96.7	Very high	44 Å²	44	62.9 Å²	62.9	31%	0.308	38%	0.377	S	S	.	.			trans	-141.2	136.9	177.4	57.5	0	0	0	0	111.2	G272 D286 V287 Q288 V289	G272-S274 VanDerWaalsContact C-N 3.28Å; G272-S274 PolarHBondContact O-N 2.92Å; S274-D286 PolarHBondContact OG-O 3.07Å; S274-V287 WeakPolarHBondContact OG-CA 3.19Å; S274-Q288 PolarHBondContact O-N 3.06Å; S274-Q288 PolarHBondContact OG-N 3.05Å; S274-V289 PolarHBondContact O-N 3.47Å
275	T	98.1	Very high	96.6	Very high	71 Å²	71	69.1 Å²	69.1	44%	0.436	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.2	179.1	-55	0	0	0	0	109.4	V289	T275-V289 VanDerWaalsContact CA-O 3.28Å; T275-V289 WeakPolarHBondContact CA-O 3.43Å; T275-V289 HydrophobicContact CG2-CB 4.24Å; T275-V289 HydrophobicContact CG2-CG1 4.25Å
276	G	97.4	Very high	96.5	Very high	22 Å²	22	69.9 Å²	69.9	23%	0.227	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162	176.1	0	0	0	0	0	112.3	V289 V290 E291	G276-V289 PolarHBondContact N-O 3.1Å; G276-V290 CarbonylContact O-C 3.09Å; G276-V290 WeakPolarHBondContact O-CA 3.48Å; G276-E291 PolarHBondContact O-N 3.29Å
277	H	97.8	Very high	96.5	Very high	141 Å²	141	67.7 Å²	67.7	65%	0.653	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	152.8	169.7	-61.1	-62.6	0	0	0	110.4	S279 E291	H277-S279 PolarHBondContact O-N 2.78Å; H277-E291 IonicContact CE1-OE2 3.86Å; H277-E291 PolarHBondContact CE1-OE2 2.9Å; H277-E291 IonicContact ND1-OE2 2.65Å; H277-E291 PolarHBondContact ND1-OE2 3.37Å
278	W	98.3	Very high	96.6	Very high	20 Å²	20	69 Å²	69	8%	0.076	40%	0.4	C	S	.	.			trans	-50.1	121.9	173.6	175.6	-92.6	0	0	0	111.7	I234 T238 E281 V290 E291 L292 L298 P300 P302	I234-W278 HydrophobicContact CG2-CH2 4.43Å; I234-W278 HydrophobicContact CG2-CZ3 4.2Å; T238-W278 HydrophobicContact CG2-CH2 4.49Å; T238-W278 HydrophobicContact CG2-CZ3 4.36Å; W278-E281 HydrophobicContact CH2-CB 4.21Å; W278-V290 HydrophobicContact CB-CG1 4.16Å; W278-V290 HydrophobicContact CE3-CG1 4.06Å; W278-E291 PolarHBondContact N-O 3.36Å; W278-L292 HydrophobicContact CB-CD1 4.08Å; W278-L292 HydrophobicContact CD2-CD1 3.86Å; W278-L292 HydrophobicContact CE3-CD1 3.86Å; W278-L292 HydrophobicContact CG-CD1 3.96Å; W278-L298 VanDerWaalsContact CD1-CD1 3.48Å; W278-L298 HydrophobicContact CD2-CD1 4.26Å; W278-L298 HydrophobicContact CG-CD1 3.94Å; W278-P300 PolarHBondContact NE1-O 2.85Å; W278-P302 HydrophobicContact CH2-CB 3.88Å; W278-P302 HydrophobicContact CH2-CG 4.04Å; W278-P302 HydrophobicContact CZ2-CB 3.82Å; W278-P302 HydrophobicContact CZ2-CG 3.82Å
279	S	97.2	Very high	96.7	Very high	52 Å²	52	64.7 Å²	64.7	36%	0.364	37%	0.374	S	S	.	.			trans	-127.6	3.8	175.5	75	0	0	0	0	112.8	H277 H283 D284 P300	H277-S279 PolarHBondContact O-N 2.78Å; S279-H283 PolarHBondContact O-ND1 2.86Å; S279-H283 VanDerWaalsContact OG-CB 3.27Å; S279-H283 WeakPolarHBondContact OG-CB 3.48Å; S279-D284 PolarHBondContact N-OD1 2.95Å; S279-D284 PolarHBondContact N-OD2 3.37Å; S279-D284 PolarHBondContact OG-OD1 3.02Å; S279-P300 WeakPolarHBondContact O-CD 3.38Å
280	G	96.5	Very high	96.9	Very high	4 Å²	4	61 Å²	61	4%	0.041	35%	0.354	C	S	.	.			trans	111.7	142.1	178.6	0	0	0	0	0	111.2	A282 H283 D284	G280-A282 PolarHBondContact O-N 3.33Å; G280-H283 PolarHBondContact O-N 3.46Å; G280-D284 PolarHBondContact N-OD2 3.29Å; G280-D284 PolarHBondContact O-N 2.95Å
281	E	95.1	Very high	97	Very high	83 Å²	83	59.4 Å²	59.4	39%	0.388	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-40.6	-172.7	-176.7	179.7	-174.2	0	0	114.3	T238 W278 K285	T238-E281 HydrophobicContact CG2-CG 4.22Å; W278-E281 HydrophobicContact CH2-CB 4.21Å; E281-K285 PolarHBondContact O-N 2.85Å
282	A	95.4	Very high	97.1	Very high	87 Å²	87	57 Å²	57	72%	0.719	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.2	179.2	0	0	0	0	0	113	G280	G280-A282 PolarHBondContact O-N 3.33Å
283	H	95.9	Very high	97.2	Very high	147 Å²	147	57.6 Å²	57.6	68%	0.681	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-77	-34.7	178.7	-60.2	134.1	0	0	0	111.6	S279 G280 K285	S279-H283 PolarHBondContact O-ND1 2.86Å; S279-H283 VanDerWaalsContact OG-CB 3.27Å; S279-H283 WeakPolarHBondContact OG-CB 3.48Å; G280-H283 PolarHBondContact O-N 3.46Å; H283-K285 PolarHBondContact O-N 3.37Å
284	D	96.5	Very high	97.2	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-83.6	7.7	-177.1	-60.5	-32.1	0	0	0	112.8	R240 S279 G280 D286 V287 V290	R240-D284 PolarHBondContact NH2-O 3.4Å; S279-D284 PolarHBondContact N-OD1 2.95Å; S279-D284 PolarHBondContact N-OD2 3.37Å; S279-D284 PolarHBondContact OG-OD1 3.02Å; G280-D284 PolarHBondContact N-OD2 3.29Å; G280-D284 PolarHBondContact O-N 2.95Å; D284-D286 VanDerWaalsContact C-N 3.27Å; D284-D286 PolarHBondContact O-N 3.04Å; D284-V287 PolarHBondContact O-N 3.23Å; D284-V287 VanDerWaalsContact O-N 3.13Å; D284-V290 HydrophobicContact CB-CG2 3.92Å
285	K	94.9	Very high	97.1	Very high	132 Å²	132	54.2 Å²	54.2	57%	0.574	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-57.9	-35.9	-172.6	-173.5	-177.8	176.6	-172.8	0	113.5	R209 E281 H283	R209-K285 PolarHBondContact NH1-O 2.89Å; R209-K285 PolarHBondContact NH2-O 3.45Å; E281-K285 PolarHBondContact O-N 2.85Å; H283-K285 PolarHBondContact O-N 3.37Å
286	D	96.2	Very high	97	Very high	135 Å²	135	56 Å²	56	72%	0.722	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-102.7	0.7	-178.2	-59.6	-38.9	0	0	0	113	S274 D284	S274-D286 PolarHBondContact OG-O 3.07Å; D284-D286 VanDerWaalsContact C-N 3.27Å; D284-D286 PolarHBondContact O-N 3.04Å
287	V	98.1	Very high	96.9	Very high	31 Å²	31	58.1 Å²	58.1	19%	0.188	31%	0.313	C	S	.	.			trans	-82.8	121.5	174.2	-176.8	0	0	0	0	109	R240 S274 D284 V289 V290	R240-V287 VanDerWaalsContact CZ-O 3.3Å; R240-V287 PolarHBondContact NH1-O 3.15Å; R240-V287 PolarHBondContact NH2-O 2.96Å; S274-V287 WeakPolarHBondContact OG-CA 3.19Å; D284-V287 PolarHBondContact O-N 3.23Å; D284-V287 VanDerWaalsContact O-N 3.13Å; V287-V289 VanDerWaalsContact CG1-O 3.29Å; V287-V289 WeakPolarHBondContact CG1-O 3.46Å; V287-V290 HydrophobicContact CB-CG2 4.11Å; V287-V290 HydrophobicContact CG1-CG2 3.92Å
288	Q	98.3	Very high	96.8	Very high	28 Å²	28	51.4 Å²	51.4	13%	0.131	28%	0.282	C	S	.	.	S	Bend	trans	-71.7	-44.3	-177.4	-173.5	179.2	0.8	0	0	111.6	S206 A208 R209 K210 R240 G272 S274	S206-Q288 PolarHBondContact O-NE2 2.98Å; A208-Q288 WeakPolarHBondContact O-CG 3.38Å; A208-Q288 PolarHBondContact O-NE2 3.41Å; R209-Q288 CarbonylContact C-O 3.53Å; R209-Q288 WeakPolarHBondContact CA-O 3.25Å; K210-Q288 PolarHBondContact N-O 2.99Å; R240-Q288 PolarHBondContact NH1-O 2.61Å; G272-Q288 VanDerWaalsContact CA-OE1 3.24Å; S274-Q288 PolarHBondContact O-N 3.06Å; S274-Q288 PolarHBondContact OG-N 3.05Å
289	V	98.8	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.1	-176.4	-173.3	0	0	0	0	109.6	K210 V212 S274 T275 G276 V287	K210-V289 HydrophobicContact CB-CG1 4.24Å; K210-V289 HydrophobicContact CB-CG2 4.22Å; K210-V289 HydrophobicContact CD-CG2 4.16Å; V212-V289 HydrophobicContact CG2-CG1 3.5Å; V212-V289 VanDerWaalsContact CG2-CG1 3.5Å; S274-V289 PolarHBondContact O-N 3.47Å; T275-V289 VanDerWaalsContact CA-O 3.28Å; T275-V289 WeakPolarHBondContact CA-O 3.43Å; T275-V289 HydrophobicContact CG2-CB 4.24Å; T275-V289 HydrophobicContact CG2-CG1 4.25Å; G276-V289 PolarHBondContact N-O 3.1Å; V287-V289 VanDerWaalsContact CG1-O 3.29Å; V287-V289 WeakPolarHBondContact CG1-O 3.46Å
290	V	98.7	Very high	96.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.6	-179	179.7	0	0	0	0	110.1	K210 L211 V212 R240 G276 W278 D284 V287	K210-V290 PolarHBondContact O-N 3.44Å; L211-V290 CarbonylContact C-O 3.53Å; L211-V290 WeakPolarHBondContact CA-O 3.35Å; V212-V290 PolarHBondContact N-O 2.84Å; R240-V290 VanDerWaalsContact CZ-CG2 3.47Å; G276-V290 CarbonylContact O-C 3.09Å; G276-V290 WeakPolarHBondContact O-CA 3.48Å; W278-V290 HydrophobicContact CB-CG1 4.16Å; W278-V290 HydrophobicContact CE3-CG1 4.06Å; D284-V290 HydrophobicContact CB-CG2 3.92Å; V287-V290 HydrophobicContact CB-CG2 4.11Å; V287-V290 HydrophobicContact CG1-CG2 3.92Å
291	E	98.4	Very high	96.7	Very high	53 Å²	53	62 Å²	62	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.4	174.2	-63	-177.4	-173.1	0	0	110.4	V212 R270 G276 H277 W278	V212-E291 HydrophobicContact CB-CG 4.24Å; R270-E291 IonicContact CZ-OE1 3.37Å; R270-E291 IonicContact NH1-OE1 3.8Å; R270-E291 IonicContact NH2-OE1 3.97Å; R270-E291 PolarHBondContact NH2-OE1 3.14Å; G276-E291 PolarHBondContact O-N 3.29Å; H277-E291 IonicContact CE1-OE2 3.86Å; H277-E291 PolarHBondContact CE1-OE2 2.9Å; H277-E291 IonicContact ND1-OE2 2.65Å; H277-E291 PolarHBondContact ND1-OE2 3.37Å; W278-E291 PolarHBondContact N-O 3.36Å
292	L	98.4	Very high	96.8	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.063	31%	0.312	C	S	.	.			trans	-96.6	127.5	-177.4	-166.8	74.7	0	0	0	110.6	L211 V212 Y230 C231 I234 W278 L298	L211-L292 HydrophobicContact CD1-CB 4.42Å; L211-L292 HydrophobicContact CD1-CD1 4.49Å; L211-L292 HydrophobicContact CD1-CD2 4.25Å; L211-L292 HydrophobicContact CD2-CB 3.77Å; L211-L292 HydrophobicContact CD2-CD2 3.92Å; L211-L292 HydrophobicContact CD2-CG 4.46Å; L211-L292 HydrophobicContact CG-CB 4.15Å; V212-L292 PolarHBondContact O-N 2.95Å; Y230-L292 HydrophobicContact CD1-CD2 4.33Å; Y230-L292 HydrophobicContact CE1-CD2 3.53Å; Y230-L292 HydrophobicContact CE1-CG 4.13Å; C231-L292 HydrophobicContact CB-CD2 4.11Å; I234-L292 HydrophobicContact CB-CD2 4.25Å; I234-L292 HydrophobicContact CD1-CD1 4.24Å; I234-L292 HydrophobicContact CD1-CD2 3.78Å; I234-L292 HydrophobicContact CG2-CD1 4.38Å; I234-L292 HydrophobicContact CG2-CD2 4.4Å; W278-L292 HydrophobicContact CB-CD1 4.08Å; W278-L292 HydrophobicContact CD2-CD1 3.86Å; W278-L292 HydrophobicContact CE3-CD1 3.86Å; W278-L292 HydrophobicContact CG-CD1 3.96Å; L292-L298 HydrophobicContact CD1-CD1 3.75Å
293	P	97.6	Very high	96.9	Very high	42 Å²	42	57.3 Å²	57.3	27%	0.273	30%	0.297	S	S	.	.			trans	-75.9	178.4	176.8	33.8	-36.9	0	0	0	111.7	Y230 L298	Y230-P293 WeakPolarHBondContact CE1-O 3.33Å; P293-L298 HydrophobicContact CG-CD1 4.12Å
294	I	97.2	Very high	97	Very high	62 Å²	62	51.2 Å²	51.2	32%	0.318	27%	0.268	S	S	.	.			trans	-63.1	150.4	166.7	62.4	173.4	0	0	0	110.3	K217 D296 S297 L298	K217-I294 HydrophobicContact CB-CG2 4.25Å; K217-I294 HydrophobicContact CD-CB 4.38Å; K217-I294 HydrophobicContact CD-CG2 3.94Å; K217-I294 HydrophobicContact CG-CG2 3.91Å; I294-D296 HydrophobicContact CD1-CB 3.92Å; I294-D296 HydrophobicContact CG1-CB 4.13Å; I294-D296 PolarHBondContact O-N 3.17Å; I294-S297 WeakPolarHBondContact CG1-OG 3.46Å; I294-S297 PolarHBondContact O-N 3.33Å; I294-S297 PolarHBondContact O-OG 3.38Å; I294-L298 PolarHBondContact O-N 2.75Å
295	V	95.5	Very high	97.1	Very high	12 Å²	12	51.1 Å²	51.1	7%	0.073	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.9	-29	-178.1	67.9	0	0	0	0	113.4	Y230 S297 L298	Y230-V295 HydrophobicContact CD1-CB 4.48Å; Y230-V295 HydrophobicContact CD2-CB 4.04Å; Y230-V295 HydrophobicContact CD2-CG2 4Å; Y230-V295 HydrophobicContact CE1-CB 4.31Å; Y230-V295 HydrophobicContact CE2-CB 3.81Å; Y230-V295 HydrophobicContact CE2-CG2 3.73Å; Y230-V295 HydrophobicContact CG-CB 4.37Å; V295-S297 VanDerWaalsContact C-N 3.27Å; V295-S297 PolarHBondContact O-N 3.26Å; V295-L298 WeakPolarHBondContact O-CB 3.04Å; V295-L298 PolarHBondContact O-N 3.47Å
296	D	94.3	Very high	97.2	Very high	110 Å²	110	44.9 Å²	44.9	59%	0.588	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-64.8	-27.4	179.4	-48.4	-111.4	0	0	0	113.1	K217 I294	K217-D296 WeakPolarHBondContact CE-OD2 3.38Å; K217-D296 IonicContact NZ-OD2 2.65Å; K217-D296 PolarHBondContact NZ-OD2 3.1Å; I294-D296 HydrophobicContact CD1-CB 3.92Å; I294-D296 HydrophobicContact CG1-CB 4.13Å; I294-D296 PolarHBondContact O-N 3.17Å
297	S	95.4	Very high	97.3	Very high	66 Å²	66	39.8 Å²	39.8	46%	0.462	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-115.9	13.4	178.7	57.3	0	0	0	0	113.1	I294 V295 H299	I294-S297 WeakPolarHBondContact CG1-OG 3.46Å; I294-S297 PolarHBondContact O-N 3.33Å; I294-S297 PolarHBondContact O-OG 3.38Å; V295-S297 VanDerWaalsContact C-N 3.27Å; V295-S297 PolarHBondContact O-N 3.26Å; S297-H299 PolarHBondContact O-N 3.1Å
298	L	96.8	Very high	97.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.			trans	-75.7	108.7	-178.8	180	69.3	0	0	0	111.7	Y230 I234 W278 L292 P293 I294 V295 R301 P302 L305	Y230-L298 HydrophobicContact CE2-CD2 3.67Å; Y230-L298 WeakPolarHBondContact OH-CD1 3.39Å; Y230-L298 WeakPolarHBondContact OH-CD2 3.29Å; Y230-L298 WeakPolarHBondContact OH-CG 3.42Å; I234-L298 HydrophobicContact CD1-CD2 4.12Å; W278-L298 VanDerWaalsContact CD1-CD1 3.48Å; W278-L298 HydrophobicContact CD2-CD1 4.26Å; W278-L298 HydrophobicContact CG-CD1 3.94Å; L292-L298 HydrophobicContact CD1-CD1 3.75Å; P293-L298 HydrophobicContact CG-CD1 4.12Å; I294-L298 PolarHBondContact O-N 2.75Å; V295-L298 WeakPolarHBondContact O-CB 3.04Å; V295-L298 PolarHBondContact O-N 3.47Å; L298-R301 HydrophobicContact CD2-CG 4.33Å; L298-R301 HydrophobicContact CG-CG 4.48Å; L298-R301 VanDerWaalsContact O-CG 3.28Å; L298-R301 WeakPolarHBondContact O-CG 3.41Å; L298-P302 VanDerWaalsContact CD2-CD 3.46Å; L298-P302 HydrophobicContact CD2-CG 4.32Å; L298-L305 HydrophobicContact CD2-CD1 4.47Å
299	H	94.9	Very high	97.3	Very high	136 Å²	136	37.2 Å²	37.2	63%	0.63	20%	0.2	S	C	*	.	S	Bend	trans	-141.1	133.5	173.3	-64.9	-73	0	0	0	111.6	S297	S297-H299 PolarHBondContact O-N 3.1Å
300	P	97.2	Very high	97.3	Very high	69 Å²	69	37.3 Å²	37.3	45%	0.448	20%	0.2	S	C	.	.	S	Bend	cis	-68.7	155.2	-10	31.4	-35.3	0	0	0	111.7	W278 S279	W278-P300 PolarHBondContact NE1-O 2.85Å; S279-P300 WeakPolarHBondContact O-CD 3.38Å
301	R	97.3	Very high	97.2	Very high	93 Å²	93	41.8 Å²	41.8	35%	0.351	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-79.9	122.3	177.3	-67.8	174.3	59.7	95.6	-4.8	110	L298 L305 G502 N504	L298-R301 HydrophobicContact CD2-CG 4.33Å; L298-R301 HydrophobicContact CG-CG 4.48Å; L298-R301 VanDerWaalsContact O-CG 3.28Å; L298-R301 WeakPolarHBondContact O-CG 3.41Å; R301-L305 HydrophobicContact CB-CD1 4.23Å; R301-L305 VanDerWaalsContact NH2-CD1 3.35Å; R301-G502 PolarHBondContact NH1-O 3.25Å; R301-G502 PolarHBondContact NH2-O 2.77Å; R301-N504 PolarHBondContact NH2-OD1 2.98Å; R301-N504 VanDerWaalsContact NH2-OD1 3.13Å
302	P	97	Very high	97.2	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.065	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-72.2	164	174.8	31.4	-32.9	0	0	0	111.1	I234 W278 L298 Y304	I234-P302 HydrophobicContact CD1-CG 3.68Å; I234-P302 HydrophobicContact CG1-CG 3.81Å; I234-P302 HydrophobicContact CG2-CG 4.28Å; W278-P302 HydrophobicContact CH2-CB 3.88Å; W278-P302 HydrophobicContact CH2-CG 4.04Å; W278-P302 HydrophobicContact CZ2-CB 3.82Å; W278-P302 HydrophobicContact CZ2-CG 3.82Å; L298-P302 VanDerWaalsContact CD2-CD 3.46Å; L298-P302 HydrophobicContact CD2-CG 4.32Å; P302-Y304 HydrophobicContact CB-CD2 4.06Å; P302-Y304 PolarHBondContact O-N 3.04Å
303	P	97.5	Very high	97.2	Very high	62 Å²	62	41.4 Å²	41.4	40%	0.403	22%	0.221	S	C	.	.	S	Bend	trans	-71.7	-16.3	178.9	30.9	-36.4	0	0	0	113.2	L305 V566	P303-L305 PolarHBondContact O-N 2.94Å; P303-V566 HydrophobicContact CB-CG1 3.86Å; P303-V566 HydrophobicContact CB-CG2 4.19Å; P303-V566 HydrophobicContact CG-CG1 4.19Å; P303-V566 WeakPolarHBondContact O-CG2 3.36Å
304	Y	98.1	Very high	97.2	Very high	19 Å²	19	39.7 Å²	39.7	8%	0.075	21%	0.21	C	C	.	.			trans	-78.8	50.3	-172.6	-48.5	-62.2	0	0	0	114.1	G237 T238 P302 V566 Y568	G237-Y304 PolarHBondContact O-OH 2.8Å; T238-Y304 HydrophobicContact CG2-CD2 4.2Å; T238-Y304 HydrophobicContact CG2-CE2 3.99Å; P302-Y304 HydrophobicContact CB-CD2 4.06Å; P302-Y304 PolarHBondContact O-N 3.04Å; Y304-V566 HydrophobicContact CD1-CG1 3.75Å; Y304-V566 HydrophobicContact CE1-CG1 3.86Å; Y304-Y568 VanDerWaalsContact C-OH 3.24Å; Y304-Y568 WeakPolarHBondContact CA-OH 3.41Å; Y304-Y568 WeakPolarHBondContact CB-OH 3.19Å; Y304-Y568 AromaticContact CD1-CD1 3.65Å; Y304-Y568 HydrophobicContact CD1-CD1 3.65Å; Y304-Y568 HydrophobicContact CD1-CD2 4.16Å; Y304-Y568 AromaticContact CD1-CE1 3.45Å; Y304-Y568 HydrophobicContact CD1-CE1 3.45Å; Y304-Y568 VanDerWaalsContact CD1-CE1 3.45Å; Y304-Y568 AromaticContact CD1-CE2 3.97Å; Y304-Y568 HydrophobicContact CD1-CE2 3.97Å; Y304-Y568 HydrophobicContact CD1-CG 4.06Å; Y304-Y568 AromaticContact CD1-CZ 3.64Å; Y304-Y568 HydrophobicContact CE1-CD1 4.15Å; Y304-Y568 HydrophobicContact CE1-CE1 4.38Å; Y304-Y568 HydrophobicContact CE1-CG 4.34Å; Y304-Y568 HydrophobicContact CG-CD1 4.5Å; Y304-Y568 AromaticContact CG-CE1 3.96Å; Y304-Y568 HydrophobicContact CG-CE1 3.96Å; Y304-Y568 PolarHBondContact O-OH 3.35Å
305	L	97.8	Very high	97.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.219	C	C	.	.			trans	-124.5	148	-176.7	-61.3	175.6	0	0	0	111	Y230 I234 L298 R301 P303 A308	Y230-L305 HydrophobicContact CD2-CD2 3.57Å; Y230-L305 HydrophobicContact CE2-CD2 3.54Å; I234-L305 HydrophobicContact CD1-CD2 3.97Å; I234-L305 HydrophobicContact CG1-CD2 4.25Å; L298-L305 HydrophobicContact CD2-CD1 4.47Å; R301-L305 HydrophobicContact CB-CD1 4.23Å; R301-L305 VanDerWaalsContact NH2-CD1 3.35Å; P303-L305 PolarHBondContact O-N 2.94Å; L305-A308 PolarHBondContact O-N 2.91Å
306	P	97.8	Very high	97.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	152.2	168	-24.3	36.1	0	0	0	111.1	M233 A308 V329 F500 Q503 N504	M233-P306 HydrophobicContact CE-CG 3.69Å; M233-P306 HydrophobicContact SD-CG 3.72Å; P306-A308 VanDerWaalsContact C-N 3.32Å; P306-V329 HydrophobicContact CB-CG2 4.32Å; P306-V329 HydrophobicContact CG-CG2 3.92Å; P306-F500 HydrophobicContact CB-CB 3.87Å; P306-F500 HydrophobicContact CB-CD1 4.23Å; P306-F500 HydrophobicContact CB-CG 4.07Å; P306-F500 HydrophobicContact CG-CB 4.12Å; P306-F500 HydrophobicContact CG-CD1 3.71Å; P306-F500 HydrophobicContact CG-CD2 4.23Å; P306-F500 HydrophobicContact CG-CE1 4.13Å; P306-F500 HydrophobicContact CG-CG 3.75Å; P306-Q503 HydrophobicContact CB-CB 4.26Å; P306-Q503 CarbonylContact O-C 3.58Å; P306-Q503 VanDerWaalsContact O-CA 3.25Å; P306-Q503 WeakPolarHBondContact O-CA 3.43Å; P306-Q503 VanDerWaalsContact O-CB 3.31Å; P306-Q503 WeakPolarHBondContact O-CB 3.38Å; P306-N504 PolarHBondContact O-N 3.07Å
307	L	97.6	Very high	97.6	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.147	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.4	20.6	3.3	-61.1	172.8	0	0	0	113.4	S325 Y498 Q503 H506	L307-S325 WeakPolarHBondContact CA-OG 3.42Å; L307-S325 VanDerWaalsContact CB-OG 3.27Å; L307-S325 WeakPolarHBondContact CB-OG 3.21Å; L307-S325 WeakPolarHBondContact CD2-OG 3.16Å; L307-S325 WeakPolarHBondContact O-CB 3.44Å; L307-S325 PolarHBondContact O-OG 3.36Å; L307-Y498 HydrophobicContact CD2-CD1 4.48Å; L307-Y498 HydrophobicContact CD2-CE1 4.1Å; L307-Q503 HydrophobicContact CG-CB 4.43Å; L307-H506 HydrophobicContact CD1-CB 3.98Å
308	A	97.8	Very high	97.6	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	20%	0.202	C	C	.	.			trans	-76.4	146.5	-178.9	0	0	0	0	0	112.2	L305 P306 E564 V566	L305-A308 PolarHBondContact O-N 2.91Å; P306-A308 VanDerWaalsContact C-N 3.32Å; A308-E564 WeakPolarHBondContact CA-O 3.47Å; A308-E564 HydrophobicContact CB-CB 4.05Å; A308-V566 HydrophobicContact CB-CB 4.4Å; A308-V566 HydrophobicContact CB-CG2 3.57Å
309	I	98.5	Very high	97.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	161.2	177.9	66.5	178.1	0	0	0	111.8	E311 A314 L317 P324 W328 I563 E564 T565 V566	I309-E311 PolarHBondContact O-N 2.93Å; I309-A314 HydrophobicContact CD1-CB 3.63Å; I309-A314 HydrophobicContact CG1-CB 4.05Å; I309-L317 HydrophobicContact CD1-CD1 4.33Å; I309-P324 HydrophobicContact CD1-CB 3.64Å; I309-P324 HydrophobicContact CD1-CG 4.49Å; I309-P324 HydrophobicContact CG2-CB 4.03Å; I309-P324 WeakPolarHBondContact CG2-O 3.34Å; I309-W328 HydrophobicContact CG2-CB 4.06Å; I309-I563 HydrophobicContact CD1-CG2 3.61Å; I309-I563 HydrophobicContact CG1-CG2 4.1Å; I309-E564 PolarHBondContact N-O 3Å; I309-T565 HydrophobicContact CG1-CG2 4.05Å; I309-T565 CarbonylContact O-C 3.54Å; I309-T565 VanDerWaalsContact O-CA 3.3Å; I309-T565 WeakPolarHBondContact O-CA 3.45Å; I309-V566 PolarHBondContact O-N 3.26Å
310	P	98.6	Very high	97.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	128.6	173.1	-25.3	36.3	0	0	0	113	D312 L313 A314 W328 V566 Y568	P310-D312 WeakPolarHBondContact CB-OD1 3.35Å; P310-D312 PolarHBondContact O-N 2.8Å; P310-L313 HydrophobicContact CB-CB 4.26Å; P310-L313 HydrophobicContact CB-CD1 4.24Å; P310-L313 HydrophobicContact CB-CG 4.12Å; P310-L313 HydrophobicContact CG-CD1 4.21Å; P310-L313 PolarHBondContact O-N 2.8Å; P310-L313 VanDerWaalsContact O-N 3.1Å; P310-A314 PolarHBondContact O-N 2.9Å; P310-W328 HydrophobicContact CG-CD2 3.77Å; P310-W328 HydrophobicContact CG-CE3 3.85Å; P310-W328 HydrophobicContact CG-CH2 3.58Å; P310-W328 HydrophobicContact CG-CZ2 3.45Å; P310-W328 VanDerWaalsContact CG-CZ2 3.45Å; P310-W328 HydrophobicContact CG-CZ3 3.76Å; P310-V566 WeakPolarHBondContact CA-O 3.49Å; P310-Y568 HydrophobicContact CB-CD2 4.09Å; P310-Y568 HydrophobicContact CB-CG 4.34Å; P310-Y568 HydrophobicContact CG-CD2 3.88Å; P310-Y568 HydrophobicContact CG-CE2 4.37Å; P310-Y568 HydrophobicContact CG-CG 4.12Å
311	E	98.5	Very high	97.8	Very high	94 Å²	94	38.1 Å²	38.1	44%	0.439	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.1	-179.4	-172.5	-179	163	0	0	112.5	I309 L313 V566 K567	I309-E311 PolarHBondContact O-N 2.93Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 2.91Å; E311-V566 PolarHBondContact N-O 3.48Å; E311-K567 WeakPolarHBondContact OE2-CE 3.49Å; E311-K567 WeakPolarHBondContact OE2-CG 3.42Å
312	D	97.9	Very high	97.8	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.294	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.1	178.7	66.2	-54.3	0	0	0	113.4	R195 P310 L570	R195-D312 IonicContact CZ-OD2 3.6Å; R195-D312 IonicContact NH1-OD2 2.83Å; R195-D312 PolarHBondContact NH1-OD2 2.92Å; R195-D312 IonicContact NH2-OD2 3.51Å; P310-D312 WeakPolarHBondContact CB-OD1 3.35Å; P310-D312 PolarHBondContact O-N 2.8Å; D312-L570 HydrophobicContact CB-CD2 3.52Å; D312-L570 VanDerWaalsContact OD2-CD2 3.3Å; D312-L570 WeakPolarHBondContact OD2-CD2 3.39Å
313	L	98	Very high	97.9	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-21	-179.4	-58.4	-174.7	0	0	0	112.6	L188 L191 V192 P310 E311 R316 L317 W327 W328	L188-L313 HydrophobicContact CD2-CD2 4.12Å; L191-L313 HydrophobicContact CD2-CD2 3.97Å; V192-L313 HydrophobicContact CG2-CD1 3.65Å; P310-L313 HydrophobicContact CB-CB 4.26Å; P310-L313 HydrophobicContact CB-CD1 4.24Å; P310-L313 HydrophobicContact CB-CG 4.12Å; P310-L313 HydrophobicContact CG-CD1 4.21Å; P310-L313 PolarHBondContact O-N 2.8Å; P310-L313 VanDerWaalsContact O-N 3.1Å; E311-L313 VanDerWaalsContact C-N 3.34Å; E311-L313 PolarHBondContact O-N 2.91Å; L313-R316 PolarHBondContact O-N 3.34Å; L313-L317 HydrophobicContact CB-CD1 3.89Å; L313-L317 HydrophobicContact CB-CG 4.28Å; L313-L317 PolarHBondContact O-N 2.89Å; L313-W327 HydrophobicContact CD1-CZ3 4.39Å; L313-W328 HydrophobicContact CD1-CZ3 4.26Å
314	A	98.1	Very high	97.9	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-52.2	-46.5	-173.8	0	0	0	0	0	114.2	I309 P310 R316 L317 Q318 T565	I309-A314 HydrophobicContact CD1-CB 3.63Å; I309-A314 HydrophobicContact CG1-CB 4.05Å; P310-A314 PolarHBondContact O-N 2.9Å; A314-R316 VanDerWaalsContact C-N 3.28Å; A314-R316 PolarHBondContact O-N 3.27Å; A314-L317 PolarHBondContact O-N 2.76Å; A314-Q318 WeakPolarHBondContact O-CB 3.28Å; A314-Q318 VanDerWaalsContact O-CG 3.26Å; A314-Q318 WeakPolarHBondContact O-CG 3.31Å; A314-Q318 PolarHBondContact O-N 2.9Å; A314-T565 HydrophobicContact CB-CG2 3.58Å
315	P	97.6	Very high	97.9	Very high	79 Å²	79	34.9 Å²	34.9	51%	0.513	18%	0.183	S	C	.	.	H	α-helix	trans	-67	-26	178.7	-20.8	34	0	0	0	114	R319	P315-R319 WeakPolarHBondContact O-CG 3.47Å; P315-R319 PolarHBondContact O-NE 3.46Å
316	R	98.1	Very high	98	Very high	68 Å²	68	34.8 Å²	34.8	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-80.7	-45.4	176.7	-63.4	-178.4	67.1	-168.8	-0.2	110.3	E184 L188 L313 A314 R319 L320	E184-R316 IonicContact OE1-CZ 3.45Å; E184-R316 VanDerWaalsContact OE1-CZ 3.26Å; E184-R316 IonicContact OE1-NE 3.7Å; E184-R316 PolarHBondContact OE1-NE 2.86Å; E184-R316 IonicContact OE1-NH2 2.69Å; E184-R316 PolarHBondContact OE1-NH2 2.97Å; E184-R316 IonicContact OE2-CZ 3.71Å; E184-R316 IonicContact OE2-NE 3.32Å; E184-R316 IonicContact OE2-NH2 2.7Å; E184-R316 PolarHBondContact OE2-NH2 3.21Å; L188-R316 HydrophobicContact CD1-CB 4.09Å; L188-R316 HydrophobicContact CD2-CB 4.06Å; L188-R316 VanDerWaalsContact CD2-CZ 3.41Å; L313-R316 PolarHBondContact O-N 3.34Å; A314-R316 VanDerWaalsContact C-N 3.28Å; A314-R316 PolarHBondContact O-N 3.27Å; R316-R319 PolarHBondContact O-N 3.04Å; R316-L320 PolarHBondContact O-N 3.39Å
317	L	98.2	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-42.2	178.7	-68.3	172.9	0	0	0	112.6	L188 I309 L313 A314 R319 L320 H321 P324 W327	L188-L317 HydrophobicContact CD1-CD2 3.95Å; I309-L317 HydrophobicContact CD1-CD1 4.33Å; L313-L317 HydrophobicContact CB-CD1 3.89Å; L313-L317 HydrophobicContact CB-CG 4.28Å; L313-L317 PolarHBondContact O-N 2.89Å; A314-L317 PolarHBondContact O-N 2.76Å; L317-R319 PolarHBondContact O-N 3Å; L317-L320 PolarHBondContact O-N 3.45Å; L317-H321 PolarHBondContact O-N 3.08Å; L317-P324 HydrophobicContact CB-CB 3.95Å; L317-P324 HydrophobicContact CB-CG 4.23Å; L317-P324 HydrophobicContact CD1-CB 4.41Å; L317-W327 HydrophobicContact CD1-CE3 3.7Å; L317-W327 HydrophobicContact CD1-CZ3 3.93Å; L317-W327 HydrophobicContact CD2-CD2 3.39Å; L317-W327 HydrophobicContact CD2-CE3 3.3Å; L317-W327 HydrophobicContact CD2-CG 3.99Å; L317-W327 HydrophobicContact CD2-CH2 4.02Å; L317-W327 HydrophobicContact CD2-CZ2 4.09Å; L317-W327 HydrophobicContact CD2-CZ3 3.64Å; L317-W327 HydrophobicContact CG-CE3 4.14Å; L317-W327 HydrophobicContact CG-CZ3 4.34Å
318	Q	96.6	Very high	98.1	Very high	108 Å²	108	33.7 Å²	33.7	51%	0.505	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-23	176.7	-74.5	178	41.9	0	0	113.8	A314 P324 I563	A314-Q318 WeakPolarHBondContact O-CB 3.28Å; A314-Q318 VanDerWaalsContact O-CG 3.26Å; A314-Q318 WeakPolarHBondContact O-CG 3.31Å; A314-Q318 PolarHBondContact O-N 2.9Å; Q318-P324 HydrophobicContact CG-CG 4.48Å; Q318-I563 HydrophobicContact CG-CD1 3.49Å; Q318-I563 VanDerWaalsContact CG-CD1 3.49Å
319	R	96.2	Very high	98.1	Very high	156 Å²	156	33.5 Å²	33.5	59%	0.589	18%	0.175	S	C	*	.	H	α-helix	trans	-84.8	-19.5	174	-70.5	-175.3	-65.5	161.7	5.8	112.9	W180 P315 R316 L317	W180-R319 HydrophobicContact CH2-CB 4.11Å; P315-R319 WeakPolarHBondContact O-CG 3.47Å; P315-R319 PolarHBondContact O-NE 3.46Å; R316-R319 PolarHBondContact O-N 3.04Å; L317-R319 PolarHBondContact O-N 3Å
320	L	97.5	Very high	98.1	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-106.8	-46.9	-170.6	176.1	67	0	0	0	113.2	R181 E184 A185 L188 R316 L317	R181-L320 HydrophobicContact CB-CD1 3.81Å; R181-L320 HydrophobicContact CG-CD1 3.96Å; R181-L320 WeakPolarHBondContact O-CD1 3.5Å; E184-L320 HydrophobicContact CB-CD1 4.38Å; E184-L320 HydrophobicContact CG-CD1 4.46Å; E184-L320 HydrophobicContact CG-CD2 4.25Å; A185-L320 VanDerWaalsContact CA-CD2 3.46Å; A185-L320 HydrophobicContact CB-CD1 4.22Å; A185-L320 HydrophobicContact CB-CD2 3.75Å; L188-L320 HydrophobicContact CD1-CD2 3.69Å; R316-L320 PolarHBondContact O-N 3.39Å; L317-L320 PolarHBondContact O-N 3.45Å
321	H	98.4	Very high	98.1	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.032	17%	0.174	C	C	.	.			trans	-124.8	130	-160.7	-155.1	-85.6	0	0	0	111.6	L317 D323 W327 Q481 P485 D486	L317-H321 PolarHBondContact O-N 3.08Å; H321-D323 VanDerWaalsContact C-N 3.29Å; H321-D323 PolarHBondContact CE1-O 3.3Å; H321-D323 VanDerWaalsContact ND1-C 3.35Å; H321-D323 PolarHBondContact ND1-N 3.2Å; H321-D323 PolarHBondContact ND1-O 3.49Å; H321-D323 PolarHBondContact O-N 3.45Å; H321-W327 AromaticContact CD2-CD1 3.54Å; H321-W327 AromaticContact NE2-CD1 3.84Å; H321-Q481 PolarHBondContact CE1-OE1 3.34Å; H321-Q481 PolarHBondContact NE2-OE1 3.08Å; H321-Q481 VanDerWaalsContact NE2-OE1 3.14Å; H321-P485 PolarHBondContact CD2-O 3.01Å; H321-D486 IonicContact CD2-OD1 3.92Å; H321-D486 IonicContact CE1-OD1 3.49Å; H321-D486 IonicContact CG-OD1 2.78Å; H321-D486 IonicContact ND1-OD1 3.14Å; H321-D486 IonicContact NE2-OD1 2.98Å
322	G	98	Very high	98.2	Very high	57 Å²	57	29 Å²	29	59%	0.588	15%	0.153	S	C	*	.	S	Bend	trans	-66.8	-25	-178	0	0	0	0	0	115	D486 S488	G322-D486 PolarHBondContact N-OD1 3.31Å; G322-D486 PolarHBondContact N-OD2 3.44Å; G322-S488 VanDerWaalsContact CA-OG 3.32Å; G322-S488 WeakPolarHBondContact CA-OG 3.46Å; G322-S488 PolarHBondContact N-OG 3.36Å
323	D	98.4	Very high	98.2	Very high	43 Å²	43	26.3 Å²	26.3	23%	0.23	14%	0.139	C	C	.	.			trans	-131.4	93.1	169.6	-177.1	-17	0	0	0	110.3	H321 S325 V326 W327	H321-D323 VanDerWaalsContact C-N 3.29Å; H321-D323 PolarHBondContact CE1-O 3.3Å; H321-D323 VanDerWaalsContact ND1-C 3.35Å; H321-D323 PolarHBondContact ND1-N 3.2Å; H321-D323 PolarHBondContact ND1-O 3.49Å; H321-D323 PolarHBondContact O-N 3.45Å; D323-S325 PolarHBondContact O-N 3.27Å; D323-S325 WeakPolarHBondContact OD1-CB 3.28Å; D323-S325 PolarHBondContact OD1-N 3.18Å; D323-V326 HydrophobicContact CB-CG1 3.7Å; D323-V326 VanDerWaalsContact O-CG1 3.28Å; D323-V326 WeakPolarHBondContact O-CG1 3.25Å; D323-V326 PolarHBondContact OD1-N 3.36Å; D323-W327 PolarHBondContact O-N 3.39Å
324	P	98.5	Very high	98.2	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.052	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-24.8	179	-30.7	40.2	0	0	0	114.8	I309 L317 Q318 W328 I563	I309-P324 HydrophobicContact CD1-CB 3.64Å; I309-P324 HydrophobicContact CD1-CG 4.49Å; I309-P324 HydrophobicContact CG2-CB 4.03Å; I309-P324 WeakPolarHBondContact CG2-O 3.34Å; L317-P324 HydrophobicContact CB-CB 3.95Å; L317-P324 HydrophobicContact CB-CG 4.23Å; L317-P324 HydrophobicContact CD1-CB 4.41Å; Q318-P324 HydrophobicContact CG-CG 4.48Å; P324-W328 PolarHBondContact O-N 3.48Å; P324-I563 HydrophobicContact CG-CD1 4.23Å
325	S	98.3	Very high	98.3	Very high	7 Å²	7	29.3 Å²	29.3	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-70.9	-49	-176.9	176.7	0	0	0	0	110.8	L307 D323 W327 W328 V329	L307-S325 WeakPolarHBondContact CA-OG 3.42Å; L307-S325 VanDerWaalsContact CB-OG 3.27Å; L307-S325 WeakPolarHBondContact CB-OG 3.21Å; L307-S325 WeakPolarHBondContact CD2-OG 3.16Å; L307-S325 WeakPolarHBondContact O-CB 3.44Å; L307-S325 PolarHBondContact O-OG 3.36Å; D323-S325 PolarHBondContact O-N 3.27Å; D323-S325 WeakPolarHBondContact OD1-CB 3.28Å; D323-S325 PolarHBondContact OD1-N 3.18Å; S325-W327 VanDerWaalsContact C-N 3.26Å; S325-W327 PolarHBondContact O-N 2.8Å; S325-W328 PolarHBondContact O-N 3.31Å; S325-W328 VanDerWaalsContact O-N 3.14Å; S325-V329 WeakPolarHBondContact O-CG2 3.49Å; S325-V329 PolarHBondContact O-N 3.49Å
326	V	98.7	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-35.3	176	67.2	0	0	0	0	111.4	D323 W328 V329 S330 Y477 E478 Q481 Y498	D323-V326 HydrophobicContact CB-CG1 3.7Å; D323-V326 VanDerWaalsContact O-CG1 3.28Å; D323-V326 WeakPolarHBondContact O-CG1 3.25Å; D323-V326 PolarHBondContact OD1-N 3.36Å; V326-W328 VanDerWaalsContact C-N 3.31Å; V326-W328 PolarHBondContact O-N 3.46Å; V326-V329 PolarHBondContact O-N 2.71Å; V326-S330 WeakPolarHBondContact O-CB 3.33Å; V326-S330 PolarHBondContact O-N 3Å; V326-Y477 HydrophobicContact CB-CE1 4.23Å; V326-Y477 HydrophobicContact CG1-CE1 4.2Å; V326-Y477 HydrophobicContact CG2-CD1 3.93Å; V326-Y477 HydrophobicContact CG2-CE1 3.67Å; V326-E478 HydrophobicContact CG2-CB 4.49Å; V326-E478 HydrophobicContact CG2-CG 3.78Å; V326-Q481 HydrophobicContact CG1-CG 3.97Å; V326-Q481 HydrophobicContact CG2-CG 3.84Å; V326-Y498 HydrophobicContact CB-CD1 4.24Å; V326-Y498 HydrophobicContact CB-CE1 3.85Å; V326-Y498 HydrophobicContact CG2-CD2 4.47Å; V326-Y498 HydrophobicContact CG2-CE1 4.13Å; V326-Y498 HydrophobicContact CG2-CE2 3.96Å
327	W	98.8	Very high	98.4	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-40.3	174.1	-175.7	94.2	0	0	0	112.1	L188 V192 L313 L317 H321 D323 S325 S330 Q331	L188-W327 HydrophobicContact CB-CH2 3.89Å; L188-W327 HydrophobicContact CB-CZ2 3.65Å; V192-W327 HydrophobicContact CG2-CH2 3.83Å; V192-W327 HydrophobicContact CG2-CZ3 4.17Å; L313-W327 HydrophobicContact CD1-CZ3 4.39Å; L317-W327 HydrophobicContact CD1-CE3 3.7Å; L317-W327 HydrophobicContact CD1-CZ3 3.93Å; L317-W327 HydrophobicContact CD2-CD2 3.39Å; L317-W327 HydrophobicContact CD2-CE3 3.3Å; L317-W327 HydrophobicContact CD2-CG 3.99Å; L317-W327 HydrophobicContact CD2-CH2 4.02Å; L317-W327 HydrophobicContact CD2-CZ2 4.09Å; L317-W327 HydrophobicContact CD2-CZ3 3.64Å; L317-W327 HydrophobicContact CG-CE3 4.14Å; L317-W327 HydrophobicContact CG-CZ3 4.34Å; H321-W327 AromaticContact CD2-CD1 3.54Å; H321-W327 AromaticContact NE2-CD1 3.84Å; D323-W327 PolarHBondContact O-N 3.39Å; S325-W327 VanDerWaalsContact C-N 3.26Å; S325-W327 PolarHBondContact O-N 2.8Å; W327-S330 PolarHBondContact O-N 3.13Å; W327-S330 PolarHBondContact O-OG 3.18Å; W327-Q331 HydrophobicContact CD2-CG 4.45Å; W327-Q331 HydrophobicContact CE3-CG 4.12Å; W327-Q331 HydrophobicContact CH2-CG 3.83Å; W327-Q331 HydrophobicContact CZ2-CG 4.17Å; W327-Q331 HydrophobicContact CZ3-CG 3.8Å; W327-Q331 WeakPolarHBondContact O-CG 3.35Å; W327-Q331 PolarHBondContact O-N 3.42Å; W327-Q331 PolarHBondContact O-NE2 3.29Å
328	W	98.9	Very high	98.4	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-46.2	178.1	179.3	-128.3	0	0	0	111.7	V192 Y236 I309 P310 L313 P324 S325 V326 S330 Q331 F332 Y568	V192-W328 HydrophobicContact CG1-CE3 4.5Å; V192-W328 HydrophobicContact CG1-CH2 4.37Å; V192-W328 HydrophobicContact CG1-CZ3 3.66Å; V192-W328 HydrophobicContact CG2-CZ3 4.01Å; Y236-W328 HydrophobicContact CD1-CH2 4.09Å; Y236-W328 HydrophobicContact CD1-CZ2 4.08Å; Y236-W328 AromaticContact CE1-CH2 3.74Å; Y236-W328 HydrophobicContact CE1-CH2 3.74Å; Y236-W328 HydrophobicContact CE1-CZ2 4.08Å; Y236-W328 AromaticContact CZ-CH2 3.99Å; I309-W328 HydrophobicContact CG2-CB 4.06Å; P310-W328 HydrophobicContact CG-CD2 3.77Å; P310-W328 HydrophobicContact CG-CE3 3.85Å; P310-W328 HydrophobicContact CG-CH2 3.58Å; P310-W328 HydrophobicContact CG-CZ2 3.45Å; P310-W328 VanDerWaalsContact CG-CZ2 3.45Å; P310-W328 HydrophobicContact CG-CZ3 3.76Å; L313-W328 HydrophobicContact CD1-CZ3 4.26Å; P324-W328 PolarHBondContact O-N 3.48Å; S325-W328 PolarHBondContact O-N 3.31Å; S325-W328 VanDerWaalsContact O-N 3.14Å; V326-W328 VanDerWaalsContact C-N 3.31Å; V326-W328 PolarHBondContact O-N 3.46Å; W328-S330 VanDerWaalsContact C-N 3.28Å; W328-S330 PolarHBondContact O-N 2.89Å; W328-Q331 PolarHBondContact O-N 2.81Å; W328-F332 AromaticContact CD2-CE2 3.89Å; W328-F332 HydrophobicContact CD2-CE2 3.89Å; W328-F332 AromaticContact CE2-CE2 3.51Å; W328-F332 AromaticContact CE2-CZ 3.98Å; W328-F332 HydrophobicContact CE3-CE2 4.23Å; W328-F332 AromaticContact CH2-CE2 3.87Å; W328-F332 HydrophobicContact CH2-CE2 3.87Å; W328-F332 AromaticContact CH2-CZ 3.73Å; W328-F332 HydrophobicContact CH2-CZ 3.73Å; W328-F332 AromaticContact CZ2-CE2 3.51Å; W328-F332 HydrophobicContact CZ2-CE2 3.51Å; W328-F332 AromaticContact CZ2-CZ 3.47Å; W328-F332 HydrophobicContact CZ2-CZ 3.47Å; W328-F332 VanDerWaalsContact CZ2-CZ 3.47Å; W328-F332 HydrophobicContact CZ3-CE2 4.23Å; W328-F332 HydrophobicContact CZ3-CZ 4.44Å; W328-F332 AromaticContact NE1-CE2 3.99Å; W328-F332 WeakPolarHBondContact O-CD2 3.31Å; W328-Y568 HydrophobicContact CZ2-CD1 4.19Å; W328-Y568 AromaticContact CZ2-CE1 4Å; W328-Y568 HydrophobicContact CZ2-CE1 4Å; W328-Y568 AromaticContact NE1-CZ 3.75Å
329	V	98.9	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-43	174.6	172.5	0	0	0	0	110.9	V229 M233 P306 S325 V326 Q331 F332 V333 E478 F500	V229-V329 HydrophobicContact CG1-CG1 4.05Å; M233-V329 HydrophobicContact SD-CG2 4.31Å; P306-V329 HydrophobicContact CB-CG2 4.32Å; P306-V329 HydrophobicContact CG-CG2 3.92Å; S325-V329 WeakPolarHBondContact O-CG2 3.49Å; S325-V329 PolarHBondContact O-N 3.49Å; V326-V329 PolarHBondContact O-N 2.71Å; V329-Q331 VanDerWaalsContact C-N 3.26Å; V329-Q331 PolarHBondContact O-N 2.93Å; V329-F332 PolarHBondContact O-N 3.01Å; V329-F332 VanDerWaalsContact O-N 3.15Å; V329-V333 HydrophobicContact CG1-CG2 4.41Å; V329-V333 PolarHBondContact O-N 3.39Å; V329-E478 HydrophobicContact CG1-CG 4.16Å; V329-F500 HydrophobicContact CG1-CD2 3.99Å; V329-F500 HydrophobicContact CG1-CE2 4.01Å; V329-F500 HydrophobicContact CG2-CD2 4.31Å
330	S	98.8	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-25.3	-176.5	76.5	0	0	0	0	114	V326 W327 W328 F332 V333 K334 E478	V326-S330 WeakPolarHBondContact O-CB 3.33Å; V326-S330 PolarHBondContact O-N 3Å; W327-S330 PolarHBondContact O-N 3.13Å; W327-S330 PolarHBondContact O-OG 3.18Å; W328-S330 VanDerWaalsContact C-N 3.28Å; W328-S330 PolarHBondContact O-N 2.89Å; S330-F332 VanDerWaalsContact C-N 3.3Å; S330-F332 PolarHBondContact O-N 3.06Å; S330-V333 PolarHBondContact O-N 2.87Å; S330-K334 VanDerWaalsContact O-CB 3.28Å; S330-K334 WeakPolarHBondContact O-CB 3.35Å; S330-K334 PolarHBondContact O-N 3.33Å; S330-E478 WeakPolarHBondContact CB-O 3.45Å
331	Q	98.9	Very high	98.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-35.4	176	-60.3	-45	-61.3	0	0	112.2	S189 V192 Q193 I196 W327 W328 V329 Y335	S189-Q331 PolarHBondContact OG-OE1 3.41Å; V192-Q331 HydrophobicContact CB-CB 4.5Å; V192-Q331 HydrophobicContact CB-CG 4.21Å; V192-Q331 HydrophobicContact CG1-CB 3.68Å; V192-Q331 HydrophobicContact CG1-CG 3.85Å; Q193-Q331 PolarHBondContact NE2-O 3Å; I196-Q331 HydrophobicContact CD1-CB 4.47Å; W327-Q331 HydrophobicContact CD2-CG 4.45Å; W327-Q331 HydrophobicContact CE3-CG 4.12Å; W327-Q331 HydrophobicContact CH2-CG 3.83Å; W327-Q331 HydrophobicContact CZ2-CG 4.17Å; W327-Q331 HydrophobicContact CZ3-CG 3.8Å; W327-Q331 WeakPolarHBondContact O-CG 3.35Å; W327-Q331 PolarHBondContact O-N 3.42Å; W327-Q331 PolarHBondContact O-NE2 3.29Å; W328-Q331 PolarHBondContact O-N 2.81Å; V329-Q331 VanDerWaalsContact C-N 3.26Å; V329-Q331 PolarHBondContact O-N 2.93Å; Q331-Y335 PolarHBondContact O-N 3.41Å
332	F	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-75.1	-41	175.6	-62.6	-83.8	0	0	0	111.2	I196 V229 F232 M233 Y236 W328 V329 S330 K334 Y335 L336	I196-F332 HydrophobicContact CD1-CD1 4.13Å; I196-F332 HydrophobicContact CD1-CE1 4.15Å; I196-F332 HydrophobicContact CG1-CE1 4.39Å; V229-F332 HydrophobicContact CG1-CB 4.02Å; F232-F332 HydrophobicContact CB-CD1 3.82Å; F232-F332 HydrophobicContact CB-CE1 4.48Å; F232-F332 HydrophobicContact CD1-CB 4.33Å; F232-F332 AromaticContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD1-CD1 3.81Å; F232-F332 HydrophobicContact CD2-CD1 4.07Å; F232-F332 HydrophobicContact CD2-CE1 4.29Å; F232-F332 HydrophobicContact CE1-CD1 4.41Å; F232-F332 AromaticContact CG-CD1 3.62Å; F232-F332 HydrophobicContact CG-CD1 3.62Å; F232-F332 HydrophobicContact CG-CE1 4.26Å; M233-F332 HydrophobicContact CG-CD1 4.39Å; M233-F332 HydrophobicContact CG-CD2 3.6Å; M233-F332 HydrophobicContact CG-CE1 4.32Å; M233-F332 HydrophobicContact CG-CE2 3.55Å; M233-F332 HydrophobicContact CG-CG 4.03Å; M233-F332 HydrophobicContact CG-CZ 3.92Å; M233-F332 HydrophobicContact SD-CD2 4.4Å; Y236-F332 HydrophobicContact CD1-CZ 4.44Å; Y236-F332 HydrophobicContact CD2-CE1 4.23Å; Y236-F332 HydrophobicContact CD2-CZ 4.37Å; Y236-F332 HydrophobicContact CG-CE1 4.08Å; Y236-F332 HydrophobicContact CG-CZ 4.04Å; W328-F332 AromaticContact CD2-CE2 3.89Å; W328-F332 HydrophobicContact CD2-CE2 3.89Å; W328-F332 AromaticContact CE2-CE2 3.51Å; W328-F332 AromaticContact CE2-CZ 3.98Å; W328-F332 HydrophobicContact CE3-CE2 4.23Å; W328-F332 AromaticContact CH2-CE2 3.87Å; W328-F332 HydrophobicContact CH2-CE2 3.87Å; W328-F332 AromaticContact CH2-CZ 3.73Å; W328-F332 HydrophobicContact CH2-CZ 3.73Å; W328-F332 AromaticContact CZ2-CE2 3.51Å; W328-F332 HydrophobicContact CZ2-CE2 3.51Å; W328-F332 AromaticContact CZ2-CZ 3.47Å; W328-F332 HydrophobicContact CZ2-CZ 3.47Å; W328-F332 VanDerWaalsContact CZ2-CZ 3.47Å; W328-F332 HydrophobicContact CZ3-CE2 4.23Å; W328-F332 HydrophobicContact CZ3-CZ 4.44Å; W328-F332 AromaticContact NE1-CE2 3.99Å; W328-F332 WeakPolarHBondContact O-CD2 3.31Å; V329-F332 PolarHBondContact O-N 3.01Å; V329-F332 VanDerWaalsContact O-N 3.15Å; S330-F332 VanDerWaalsContact C-N 3.3Å; S330-F332 PolarHBondContact O-N 3.06Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.21Å; F332-Y335 PolarHBondContact O-N 2.75Å; F332-L336 WeakPolarHBondContact O-CB 3.24Å; F332-L336 VanDerWaalsContact O-CG 3.28Å; F332-L336 WeakPolarHBondContact O-CG 3.33Å; F332-L336 PolarHBondContact O-N 2.88Å
333	V	98.9	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.5	-49.9	173.3	179	0	0	0	0	109.9	L225 V229 V329 S330 Y335 L336 V337 E478 I479	L225-V333 HydrophobicContact CD2-CG1 4.49Å; V229-V333 HydrophobicContact CG2-CG2 3.67Å; V329-V333 HydrophobicContact CG1-CG2 4.41Å; V329-V333 PolarHBondContact O-N 3.39Å; S330-V333 PolarHBondContact O-N 2.87Å; V333-Y335 VanDerWaalsContact C-N 3.3Å; V333-Y335 PolarHBondContact O-N 3.34Å; V333-L336 PolarHBondContact O-N 3.41Å; V333-L336 VanDerWaalsContact O-N 3.11Å; V333-V337 HydrophobicContact CG1-CG1 4.16Å; V333-V337 HydrophobicContact CG1-CG2 4.45Å; V333-V337 VanDerWaalsContact O-CG2 3.29Å; V333-V337 WeakPolarHBondContact O-CG2 3.48Å; V333-V337 PolarHBondContact O-N 3.04Å; V333-E478 HydrophobicContact CG2-CB 4.37Å; V333-I479 HydrophobicContact CG1-CD1 4.19Å; V333-I479 HydrophobicContact CG1-CG1 3.57Å
334	K	98.8	Very high	98.5	Very high	69 Å²	69	26.1 Å²	26.1	30%	0.3	13%	0.134	S	C	.	.	H	α-helix	trans	-52.2	-45	177.3	-175	176.1	177.8	173.8	0	112.8	S189 Q193 S330 F332 T482	S189-K334 PolarHBondContact OG-NZ 3.06Å; Q193-K334 HydrophobicContact CG-CD 4.29Å; S330-K334 VanDerWaalsContact O-CB 3.28Å; S330-K334 WeakPolarHBondContact O-CB 3.35Å; S330-K334 PolarHBondContact O-N 3.33Å; F332-K334 VanDerWaalsContact C-N 3.33Å; F332-K334 PolarHBondContact O-N 3.21Å; K334-T482 HydrophobicContact CB-CG2 4.06Å; K334-T482 HydrophobicContact CD-CG2 4.17Å; K334-T482 HydrophobicContact CG-CG2 4.46Å
335	Y	98.9	Very high	98.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-40.1	179.8	-169.8	-84.7	0	0	0	112	I196 Q200 F232 V263 Q331 F332 V333 R338	I196-Y335 HydrophobicContact CB-CD2 4.22Å; I196-Y335 HydrophobicContact CB-CE2 4.49Å; I196-Y335 HydrophobicContact CG2-CD1 4Å; I196-Y335 HydrophobicContact CG2-CD2 3.46Å; I196-Y335 VanDerWaalsContact CG2-CD2 3.46Å; I196-Y335 HydrophobicContact CG2-CE1 4.18Å; I196-Y335 HydrophobicContact CG2-CE2 3.7Å; I196-Y335 HydrophobicContact CG2-CG 3.61Å; Q200-Y335 HydrophobicContact CG-CE1 4.04Å; F232-Y335 AromaticContact CE1-CD1 3.52Å; F232-Y335 HydrophobicContact CE1-CD1 3.52Å; F232-Y335 HydrophobicContact CE1-CE1 4.16Å; F232-Y335 HydrophobicContact CE1-CG 4.14Å; F232-Y335 AromaticContact CZ-CD1 3.75Å; F232-Y335 HydrophobicContact CZ-CD1 3.75Å; F232-Y335 AromaticContact CZ-CE1 3.98Å; F232-Y335 HydrophobicContact CZ-CE1 3.98Å; F232-Y335 HydrophobicContact CZ-CG 4.37Å; V263-Y335 HydrophobicContact CG1-CD1 4.41Å; V263-Y335 HydrophobicContact CG1-CE1 4.08Å; V263-Y335 WeakPolarHBondContact O-CE1 3.17Å; V263-Y335 PolarHBondContact O-OH 3.12Å; Q331-Y335 PolarHBondContact O-N 3.41Å; F332-Y335 PolarHBondContact O-N 2.75Å; V333-Y335 VanDerWaalsContact C-N 3.3Å; V333-Y335 PolarHBondContact O-N 3.34Å; Y335-R338 WeakPolarHBondContact O-CG 3.32Å; Y335-R338 PolarHBondContact O-NE 3.38Å
336	L	98.8	Very high	98.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-50.7	-178.9	-70.8	168.7	0	0	0	110.8	L225 V228 V229 F232 W256 V263 F332 V333 R338	L225-L336 HydrophobicContact CD1-CB 4.38Å; L225-L336 HydrophobicContact CD1-CD1 4.28Å; V228-L336 HydrophobicContact CB-CD1 4.24Å; V228-L336 HydrophobicContact CG1-CD1 3.77Å; V228-L336 HydrophobicContact CG1-CD2 3.7Å; V228-L336 HydrophobicContact CG1-CG 4.4Å; V229-L336 HydrophobicContact CG2-CD1 3.68Å; F232-L336 HydrophobicContact CD1-CD1 4.14Å; F232-L336 HydrophobicContact CD1-CD2 3.85Å; F232-L336 HydrophobicContact CD1-CG 3.88Å; F232-L336 HydrophobicContact CE1-CD2 4.01Å; F232-L336 HydrophobicContact CE1-CG 4.16Å; W256-L336 HydrophobicContact CH2-CB 4.18Å; W256-L336 HydrophobicContact CZ2-CB 3.9Å; W256-L336 HydrophobicContact CZ2-CD2 4.33Å; W256-L336 VanDerWaalsContact CZ2-O 3.29Å; W256-L336 WeakPolarHBondContact CZ2-O 3.29Å; V263-L336 HydrophobicContact CG1-CD2 3.97Å; V263-L336 HydrophobicContact CG2-CD2 4.27Å; F332-L336 WeakPolarHBondContact O-CB 3.24Å; F332-L336 VanDerWaalsContact O-CG 3.28Å; F332-L336 WeakPolarHBondContact O-CG 3.33Å; F332-L336 PolarHBondContact O-N 2.88Å; V333-L336 PolarHBondContact O-N 3.41Å; V333-L336 VanDerWaalsContact O-N 3.11Å; L336-R338 PolarHBondContact O-N 3.42Å
337	V	98.3	Very high	98.3	Very high	30 Å²	30	34.2 Å²	34.2	18%	0.182	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	23	-170.6	-53.8	0	0	0	0	114.6	L225 F260 V333 P339 I479	L225-V337 HydrophobicContact CD1-CG1 4.23Å; L225-V337 HydrophobicContact CD2-CG1 4.08Å; F260-V337 HydrophobicContact CD1-CB 4.32Å; F260-V337 HydrophobicContact CE1-CB 3.81Å; F260-V337 HydrophobicContact CE1-CG1 4.36Å; F260-V337 HydrophobicContact CZ-CB 4.14Å; F260-V337 HydrophobicContact CZ-CG1 4.19Å; V333-V337 HydrophobicContact CG1-CG1 4.16Å; V333-V337 HydrophobicContact CG1-CG2 4.45Å; V333-V337 VanDerWaalsContact O-CG2 3.29Å; V333-V337 WeakPolarHBondContact O-CG2 3.48Å; V333-V337 PolarHBondContact O-N 3.04Å; V337-P339 VanDerWaalsContact O-CD 3.3Å; V337-P339 WeakPolarHBondContact O-CD 3.45Å; V337-P339 VanDerWaalsContact O-N 3.16Å; V337-I479 HydrophobicContact CG2-CD1 4.47Å
338	R	98.4	Very high	98.2	Very high	60 Å²	60	39.5 Å²	39.5	23%	0.226	19%	0.194	C	C	.	.			trans	-63.3	114.1	172.8	-70.1	174.8	-64.6	153.5	13	108.5	F260 L261 P262 Y335 L336	F260-R338 CarbonylContact C-O 3.59Å; F260-R338 WeakPolarHBondContact CA-O 3.26Å; L261-R338 HydrophobicContact CB-CB 4.25Å; L261-R338 HydrophobicContact CD1-CB 3.92Å; L261-R338 HydrophobicContact CG-CB 4.17Å; L261-R338 PolarHBondContact N-O 3.45Å; P262-R338 PolarHBondContact O-NH2 2.87Å; P262-R338 VanDerWaalsContact O-NH2 3.15Å; Y335-R338 WeakPolarHBondContact O-CG 3.32Å; Y335-R338 PolarHBondContact O-NE 3.38Å; L336-R338 PolarHBondContact O-N 3.42Å
339	P	98.3	Very high	98.1	Very high	40 Å²	40	44.9 Å²	44.9	26%	0.26	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-72.9	151.8	-170.7	30.6	-35.9	0	0	0	111.6	V337 L343 E344	V337-P339 VanDerWaalsContact O-CD 3.3Å; V337-P339 WeakPolarHBondContact O-CD 3.45Å; V337-P339 VanDerWaalsContact O-N 3.16Å; P339-L343 HydrophobicContact CB-CB 4.1Å; P339-L343 HydrophobicContact CB-CD2 3.83Å; P339-L343 HydrophobicContact CB-CG 4Å; P339-E344 HydrophobicContact CB-CB 4.4Å; P339-E344 HydrophobicContact CG-CB 4.06Å
340	Q	98.3	Very high	97.9	Very high	47 Å²	47	45.5 Å²	45.5	22%	0.22	22%	0.223	C	C	.	.			trans	-64.3	155.7	160	-70.4	-72.2	11.5	0	0	110.5	E257 V259 F260 W342 L343 E344	E257-Q340 PolarHBondContact O-NE2 2.8Å; V259-Q340 PolarHBondContact O-N 3.13Å; F260-Q340 PolarHBondContact O-NE2 3.12Å; Q340-W342 HydrophobicContact CB-CG 4.42Å; Q340-W342 PolarHBondContact O-N 2.89Å; Q340-W342 VanDerWaalsContact O-N 3.13Å; Q340-L343 PolarHBondContact O-N 2.77Å; Q340-E344 PolarHBondContact O-N 3.41Å
341	A	98.2	Very high	97.8	Very high	77 Å²	77	47.6 Å²	47.6	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-56.6	-34.4	-177.5	0	0	0	0	0	113.6	K345	A341-K345 WeakPolarHBondContact O-CB 3.38Å; A341-K345 PolarHBondContact O-N 2.75Å; A341-K345 VanDerWaalsContact O-N 3.11Å
342	W	97.6	Very high	97.7	Very high	102 Å²	102	51.3 Å²	51.3	39%	0.386	27%	0.267	S	S	.	.	H	α-helix	trans	-69.5	-37.8	177.4	73.1	-100.5	0	0	0	112.1	T258 V259 Q340 K345 E346 R449	T258-W342 VanDerWaalsContact O-CE2 3.22Å; T258-W342 WeakPolarHBondContact O-CZ2 3.45Å; T258-W342 PolarHBondContact O-NE1 3.35Å; V259-W342 HydrophobicContact CB-CZ2 4.32Å; V259-W342 HydrophobicContact CG1-CH2 3.98Å; V259-W342 HydrophobicContact CG1-CZ2 3.77Å; Q340-W342 HydrophobicContact CB-CG 4.42Å; Q340-W342 PolarHBondContact O-N 2.89Å; Q340-W342 VanDerWaalsContact O-N 3.13Å; W342-K345 PolarHBondContact O-N 3.4Å; W342-E346 WeakPolarHBondContact CZ3-OE2 3.46Å; W342-E346 PolarHBondContact O-N 2.87Å; W342-R449 HydrophobicContact CH2-CG 3.87Å; W342-R449 HydrophobicContact CZ3-CG 4.3Å
343	L	97.6	Very high	97.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-72.2	-39.7	179.1	176.5	63.1	0	0	0	110.3	V259 F260 P339 Q340 K345 E346 I347 I452	V259-L343 HydrophobicContact CB-CD2 4.24Å; V259-L343 VanDerWaalsContact O-CD2 3.24Å; V259-L343 WeakPolarHBondContact O-CD2 3.43Å; F260-L343 HydrophobicContact CD1-CD2 4.38Å; F260-L343 HydrophobicContact CE1-CD2 4.1Å; P339-L343 HydrophobicContact CB-CB 4.1Å; P339-L343 HydrophobicContact CB-CD2 3.83Å; P339-L343 HydrophobicContact CB-CG 4Å; Q340-L343 PolarHBondContact O-N 2.77Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 2.9Å; L343-E346 PolarHBondContact O-N 3.29Å; L343-I347 HydrophobicContact CG-CD1 4.18Å; L343-I347 WeakPolarHBondContact O-CG1 3.4Å; L343-I347 PolarHBondContact O-N 3.17Å; L343-I452 HydrophobicContact CD1-CG2 4.36Å; L343-I452 HydrophobicContact CD2-CG2 4.11Å
344	E	97.8	Very high	97.3	Very high	98 Å²	98	60 Å²	60	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-58.7	-44.3	172.8	-174.3	176.4	-172.5	0	0	111.4	P339 Q340 E346 I347 Q348	P339-E344 HydrophobicContact CB-CB 4.4Å; P339-E344 HydrophobicContact CG-CB 4.06Å; Q340-E344 PolarHBondContact O-N 3.41Å; E344-E346 PolarHBondContact O-N 3.06Å; E344-I347 PolarHBondContact O-N 3.39Å; E344-Q348 WeakPolarHBondContact O-CG 3.32Å; E344-Q348 PolarHBondContact O-N 3.47Å
345	K	97.9	Very high	97.1	Very high	126 Å²	126	58.5 Å²	58.5	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-41.9	174.6	-175.2	178.7	176.7	-179.6	0	111.9	A341 W342 L343 Q348 Q349	A341-K345 WeakPolarHBondContact O-CB 3.38Å; A341-K345 PolarHBondContact O-N 2.75Å; A341-K345 VanDerWaalsContact O-N 3.11Å; W342-K345 PolarHBondContact O-N 3.4Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 2.9Å; K345-Q348 PolarHBondContact O-N 2.92Å; K345-Q349 HydrophobicContact CG-CG 4.47Å; K345-Q349 WeakPolarHBondContact O-CB 3.3Å; K345-Q349 VanDerWaalsContact O-CG 3.24Å; K345-Q349 WeakPolarHBondContact O-CG 3.18Å; K345-Q349 PolarHBondContact O-N 3.39Å
346	E	96.5	Very high	97	Very high	36 Å²	36	59.7 Å²	59.7	17%	0.168	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-42.8	176.1	174.4	164.1	-131.1	0	0	112.2	W342 L343 E344 Q348 Q349 T350 R449 L453	W342-E346 WeakPolarHBondContact CZ3-OE2 3.46Å; W342-E346 PolarHBondContact O-N 2.87Å; L343-E346 PolarHBondContact O-N 3.29Å; E344-E346 PolarHBondContact O-N 3.06Å; E346-Q348 PolarHBondContact O-N 3.3Å; E346-Q349 PolarHBondContact O-N 3.42Å; E346-T350 VanDerWaalsContact O-CB 3.29Å; E346-T350 WeakPolarHBondContact O-CB 3.15Å; E346-T350 PolarHBondContact O-N 3.46Å; E346-T350 PolarHBondContact O-OG1 3.01Å; E346-R449 IonicContact OE1-CZ 3.77Å; E346-R449 IonicContact OE1-NE 3.38Å; E346-R449 PolarHBondContact OE1-NE 2.85Å; E346-R449 IonicContact OE1-NH2 2.64Å; E346-R449 PolarHBondContact OE1-NH2 3.01Å; E346-R449 IonicContact OE2-CZ 3.89Å; E346-R449 IonicContact OE2-NE 3.84Å; E346-R449 PolarHBondContact OE2-NE 3.05Å; E346-R449 IonicContact OE2-NH2 3.47Å; E346-R449 PolarHBondContact OE2-NH2 2.99Å; E346-L453 HydrophobicContact CG-CD1 4.35Å; E346-L453 HydrophobicContact CG-CD2 4.46Å
347	I	97.1	Very high	96.9	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-56.5	-52.7	174.3	-72.3	164.3	0	0	0	109.4	L343 E344 Q349 T350 T351 L453 H456	L343-I347 HydrophobicContact CG-CD1 4.18Å; L343-I347 WeakPolarHBondContact O-CG1 3.4Å; L343-I347 PolarHBondContact O-N 3.17Å; E344-I347 PolarHBondContact O-N 3.39Å; I347-Q349 VanDerWaalsContact C-N 3.35Å; I347-Q349 PolarHBondContact O-N 2.84Å; I347-T350 PolarHBondContact O-N 2.83Å; I347-T350 VanDerWaalsContact O-N 3.15Å; I347-T351 PolarHBondContact O-N 3Å; I347-T351 PolarHBondContact O-OG1 2.87Å; I347-L453 HydrophobicContact CB-CD2 4.49Å; I347-L453 HydrophobicContact CG1-CD2 3.67Å; I347-H456 VanDerWaalsContact CG2-NE2 3.3Å; I347-H456 WeakPolarHBondContact CG2-NE2 3.43Å
348	Q	96.8	Very high	96.8	Very high	116 Å²	116	67 Å²	67	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-43.5	-179.7	-69.6	172	4.5	0	0	112.7	E344 K345 E346 A352	E344-Q348 WeakPolarHBondContact O-CG 3.32Å; E344-Q348 PolarHBondContact O-N 3.47Å; K345-Q348 PolarHBondContact O-N 2.92Å; E346-Q348 PolarHBondContact O-N 3.3Å; Q348-A352 PolarHBondContact O-N 3.3Å
349	Q	96.6	Very high	96.7	Very high	113 Å²	113	65.1 Å²	65.1	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-40.7	177	-73.5	176.8	-20	0	0	111.9	K345 E346 I347 A352 K353	K345-Q349 HydrophobicContact CG-CG 4.47Å; K345-Q349 WeakPolarHBondContact O-CB 3.3Å; K345-Q349 VanDerWaalsContact O-CG 3.24Å; K345-Q349 WeakPolarHBondContact O-CG 3.18Å; K345-Q349 PolarHBondContact O-N 3.39Å; E346-Q349 PolarHBondContact O-N 3.42Å; I347-Q349 VanDerWaalsContact C-N 3.35Å; I347-Q349 PolarHBondContact O-N 2.84Å; Q349-A352 PolarHBondContact O-N 3.3Å; Q349-K353 VanDerWaalsContact O-CB 3.32Å; Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 3.35Å
350	T	95.4	Very high	96.7	Very high	14 Å²	14	63.2 Å²	63.2	9%	0.086	33%	0.328	C	S	.	.	H	α-helix	trans	-68.8	-40.9	179	-54.8	0	0	0	0	111	E346 I347 A352 K353 L354 L453 F457	E346-T350 VanDerWaalsContact O-CB 3.29Å; E346-T350 WeakPolarHBondContact O-CB 3.15Å; E346-T350 PolarHBondContact O-N 3.46Å; E346-T350 PolarHBondContact O-OG1 3.01Å; I347-T350 PolarHBondContact O-N 2.83Å; I347-T350 VanDerWaalsContact O-N 3.15Å; T350-A352 VanDerWaalsContact C-N 3.31Å; T350-A352 PolarHBondContact O-N 2.9Å; T350-K353 PolarHBondContact O-N 3.26Å; T350-L354 HydrophobicContact CG2-CD1 3.71Å; T350-L354 HydrophobicContact CG2-CG 4Å; T350-L354 WeakPolarHBondContact O-CB 3.34Å; T350-L354 WeakPolarHBondContact O-CG 3.48Å; T350-L354 PolarHBondContact O-N 2.98Å; T350-L453 HydrophobicContact CG2-CD1 4.48Å; T350-F457 HydrophobicContact CG2-CE2 3.6Å; T350-F457 HydrophobicContact CG2-CZ 3.85Å
351	T	95.9	Very high	96.7	Very high	44 Å²	44	61 Å²	61	27%	0.27	32%	0.318	S	S	.	.	H	α-helix	trans	-54.3	-48.1	173.2	-57.8	0	0	0	0	111	I347 G355 F356 F457	I347-T351 PolarHBondContact O-N 3Å; I347-T351 PolarHBondContact O-OG1 2.87Å; T351-G355 PolarHBondContact O-N 2.82Å; T351-F356 HydrophobicContact CG2-CB 4.12Å; T351-F356 PolarHBondContact O-N 3.42Å; T351-F356 VanDerWaalsContact O-N 3.14Å; T351-F457 VanDerWaalsContact OG1-CE1 3.32Å; T351-F457 WeakPolarHBondContact OG1-CE1 3.33Å
352	A	96	Very high	96.8	Very high	79 Å²	79	57.3 Å²	57.3	65%	0.653	29%	0.288	S	S	*	.	H	α-helix	trans	-66.6	-44.4	177.9	0	0	0	0	0	112.4	Q348 Q349 T350 L354 G355	Q348-A352 PolarHBondContact O-N 3.3Å; Q349-A352 PolarHBondContact O-N 3.3Å; T350-A352 VanDerWaalsContact C-N 3.31Å; T350-A352 PolarHBondContact O-N 2.9Å; A352-L354 PolarHBondContact O-N 3.26Å; A352-G355 PolarHBondContact O-N 3.46Å
353	K	95.6	Very high	96.8	Very high	153 Å²	153	52.5 Å²	52.5	67%	0.665	27%	0.269	S	S	*	.	H	α-helix	trans	-62.1	-42.5	179.6	180	-170.2	171.9	-159.6	0	112.4	Q349 T350 G355 D430	Q349-K353 VanDerWaalsContact O-CB 3.32Å; Q349-K353 WeakPolarHBondContact O-CB 3.49Å; Q349-K353 PolarHBondContact O-N 3.35Å; T350-K353 PolarHBondContact O-N 3.26Å; K353-G355 VanDerWaalsContact C-N 3.27Å; K353-D430 IonicContact NZ-OD2 2.84Å; K353-D430 PolarHBondContact NZ-OD2 2.91Å
354	L	94.6	Very high	96.9	Very high	30 Å²	30	52.8 Å²	52.8	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-78.1	-12.8	-179.9	-69.5	-177.7	0	0	0	112.9	T350 A352 F356 Y406 I428 D430 F457	T350-L354 HydrophobicContact CG2-CD1 3.71Å; T350-L354 HydrophobicContact CG2-CG 4Å; T350-L354 WeakPolarHBondContact O-CB 3.34Å; T350-L354 WeakPolarHBondContact O-CG 3.48Å; T350-L354 PolarHBondContact O-N 2.98Å; A352-L354 PolarHBondContact O-N 3.26Å; L354-F356 PolarHBondContact O-N 3.15Å; L354-Y406 HydrophobicContact CD1-CE2 4.12Å; L354-I428 HydrophobicContact CB-CG2 3.74Å; L354-I428 HydrophobicContact CD1-CG2 4.26Å; L354-I428 HydrophobicContact CD2-CG2 4.37Å; L354-I428 HydrophobicContact CG-CG2 4.35Å; L354-D430 HydrophobicContact CD2-CB 4.47Å; L354-F457 HydrophobicContact CD1-CD2 4.32Å; L354-F457 HydrophobicContact CD1-CE2 4Å; L354-F457 HydrophobicContact CD1-CZ 4.33Å
355	G	95.7	Very high	96.8	Very high	36 Å²	36	48.1 Å²	48.1	37%	0.371	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	33.4	-173.1	0	0	0	0	0	112.3	T351 A352 K353 K357	T351-G355 PolarHBondContact O-N 2.82Å; A352-G355 PolarHBondContact O-N 3.46Å; K353-G355 VanDerWaalsContact C-N 3.27Å; G355-K357 WeakPolarHBondContact O-CG 3.32Å; G355-K357 PolarHBondContact O-N 3.23Å
356	F	96.8	Very high	96.2	Very high	28 Å²	28	44 Å²	44	12%	0.123	23%	0.23	C	C	.	.			trans	-61.6	118.4	-176.6	-174.1	-81.8	0	0	0	110.1	T351 L354 I360 Y406 F457 Q460 T461	T351-F356 HydrophobicContact CG2-CB 4.12Å; T351-F356 PolarHBondContact O-N 3.42Å; T351-F356 VanDerWaalsContact O-N 3.14Å; L354-F356 PolarHBondContact O-N 3.15Å; F356-I360 HydrophobicContact CD2-CD1 3.94Å; F356-I360 HydrophobicContact CE1-CG2 4.17Å; F356-I360 HydrophobicContact CE2-CD1 3.76Å; F356-I360 HydrophobicContact CE2-CG2 4.31Å; F356-I360 HydrophobicContact CZ-CD1 4.33Å; F356-I360 HydrophobicContact CZ-CG2 3.81Å; F356-Y406 HydrophobicContact CD2-CD2 4.17Å; F356-Y406 HydrophobicContact CE2-CD2 4.18Å; F356-Y406 HydrophobicContact CE2-CG 4.32Å; F356-F457 HydrophobicContact CB-CD1 4.5Å; F356-F457 HydrophobicContact CB-CE1 4.34Å; F356-F457 HydrophobicContact CD1-CD1 4.46Å; F356-F457 HydrophobicContact CD2-CB 4.36Å; F356-F457 AromaticContact CD2-CD1 3.54Å; F356-F457 HydrophobicContact CD2-CD1 3.54Å; F356-F457 HydrophobicContact CD2-CE1 4.2Å; F356-F457 HydrophobicContact CD2-CG 4.21Å; F356-F457 HydrophobicContact CE2-CB 3.95Å; F356-F457 AromaticContact CE2-CD1 3.75Å; F356-F457 HydrophobicContact CE2-CD1 3.75Å; F356-F457 HydrophobicContact CE2-CG 4.25Å; F356-F457 AromaticContact CG-CD1 3.93Å; F356-F457 HydrophobicContact CG-CD1 3.93Å; F356-F457 HydrophobicContact CG-CE1 4.2Å; F356-F457 HydrophobicContact CZ-CD1 4.32Å; F356-Q460 HydrophobicContact CE1-CB 4.05Å; F356-Q460 HydrophobicContact CZ-CB 3.9Å; F356-T461 HydrophobicContact CE2-CG2 4.33Å; F356-T461 HydrophobicContact CZ-CG2 4.17Å
357	K	95.9	Very high	95.4	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.387	23%	0.227	S	C	.	.			trans	-150	148.3	-176.8	60.6	177.5	149.7	159.2	0	111.9	G355 I360 R404	G355-K357 WeakPolarHBondContact O-CG 3.32Å; G355-K357 PolarHBondContact O-N 3.23Å; K357-I360 WeakPolarHBondContact O-CB 3.47Å; K357-R404 VanDerWaalsContact CD-CZ 3.46Å
358	H	96.3	Very high	94.2	Very high	95 Å²	95	45.1 Å²	45.1	44%	0.44	24%	0.237	S	C	.	.	S	Bend	trans	-82.7	153.7	175.3	-63.3	-98	0	0	0	111.5	Q460 D462	H358-Q460 PolarHBondContact CE1-O 2.82Å; H358-D462 IonicContact CE1-OD1 3.98Å; H358-D462 IonicContact CG-OD1 3.76Å; H358-D462 IonicContact CG-OD2 3.59Å; H358-D462 VanDerWaalsContact ND1-CG 3.28Å; H358-D462 IonicContact ND1-OD1 2.72Å; H358-D462 PolarHBondContact ND1-OD1 2.97Å; H358-D462 IonicContact ND1-OD2 2.82Å; H358-D462 PolarHBondContact ND1-OD2 2.95Å
359	P	96.5	Very high	92.5	Very high	21 Å²	21	41.8 Å²	41.8	14%	0.136	22%	0.223	C	C	.	.	S	Bend	cis	-75	139.4	-5.7	28.6	-31.2	0	0	0	112.3	L400 D462	P359-L400 HydrophobicContact CB-CD2 4.17Å; P359-L400 HydrophobicContact CG-CD2 3.46Å; P359-L400 VanDerWaalsContact CG-CD2 3.46Å; P359-D462 WeakPolarHBondContact CA-OD2 3.26Å
360	I	98.3	Very high	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	137.8	-177.5	-172.6	164.6	0	0	0	111.2	F356 K357 R404 I428 T461 D462	F356-I360 HydrophobicContact CD2-CD1 3.94Å; F356-I360 HydrophobicContact CE1-CG2 4.17Å; F356-I360 HydrophobicContact CE2-CD1 3.76Å; F356-I360 HydrophobicContact CE2-CG2 4.31Å; F356-I360 HydrophobicContact CZ-CD1 4.33Å; F356-I360 HydrophobicContact CZ-CG2 3.81Å; K357-I360 WeakPolarHBondContact O-CB 3.47Å; I360-R404 WeakPolarHBondContact CA-O 3.48Å; I360-R404 HydrophobicContact CB-CB 4.02Å; I360-R404 HydrophobicContact CD1-CB 4.15Å; I360-R404 HydrophobicContact CG1-CB 3.83Å; I360-I428 HydrophobicContact CD1-CD1 3.79Å; I360-I428 HydrophobicContact CD1-CG1 4.47Å; I360-T461 HydrophobicContact CG1-CG2 4.44Å; I360-T461 HydrophobicContact CG2-CG2 4.14Å; I360-T461 WeakPolarHBondContact O-CB 3.49Å; I360-D462 PolarHBondContact N-OD2 3.16Å; I360-D462 PolarHBondContact O-N 3.15Å
361	I	98.8	Very high	89.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.7	175.7	-63.7	-178.9	0	0	0	109	V387 Q390 F391 R404 V405 Y406 F463 V465	I361-V387 HydrophobicContact CB-CG1 4.35Å; I361-V387 HydrophobicContact CD1-CG1 4.11Å; I361-V387 WeakPolarHBondContact CD1-O 3.44Å; I361-V387 HydrophobicContact CG2-CB 4.5Å; I361-V387 HydrophobicContact CG2-CG1 4.28Å; I361-V387 HydrophobicContact CG2-CG2 3.98Å; I361-Q390 HydrophobicContact CD1-CB 3.67Å; I361-Q390 HydrophobicContact CD1-CG 3.6Å; I361-Q390 HydrophobicContact CG1-CG 4.42Å; I361-F391 HydrophobicContact CB-CE2 4.3Å; I361-F391 HydrophobicContact CB-CZ 4.38Å; I361-F391 HydrophobicContact CD1-CD1 4.33Å; I361-F391 HydrophobicContact CD1-CD2 3.66Å; I361-F391 HydrophobicContact CD1-CE1 4.3Å; I361-F391 HydrophobicContact CD1-CE2 3.63Å; I361-F391 HydrophobicContact CD1-CG 4.01Å; I361-F391 HydrophobicContact CD1-CZ 3.95Å; I361-F391 HydrophobicContact CG1-CD2 4.47Å; I361-F391 HydrophobicContact CG1-CE1 4.35Å; I361-F391 HydrophobicContact CG1-CE2 3.96Å; I361-F391 HydrophobicContact CG1-CZ 3.88Å; I361-R404 PolarHBondContact N-O 2.68Å; I361-V405 CarbonylContact O-C 3.54Å; I361-V405 VanDerWaalsContact O-CA 3.31Å; I361-V405 WeakPolarHBondContact O-CA 3.39Å; I361-Y406 PolarHBondContact O-N 3.47Å; I361-F463 HydrophobicContact CG1-CB 4.31Å; I361-F463 HydrophobicContact CG2-CB 4.46Å; I361-F463 WeakPolarHBondContact CG2-O 3.37Å; I361-V465 HydrophobicContact CG2-CG2 4.1Å
362	G	98.8	Very high	88.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.7	175.9	0	0	0	0	0	110.4	T461 F463 V465	G362-T461 VanDerWaalsContact CA-CG2 3.47Å; G362-T461 VanDerWaalsContact N-CB 3.32Å; G362-T461 PolarHBondContact N-OG1 2.99Å; G362-F463 PolarHBondContact N-O 2.86Å; G362-V465 PolarHBondContact O-N 3.19Å
363	V	98.8	Very high	86.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.6	175.1	-179.9	0	0	0	0	108.5	V365 Y383 V387 V405 Y406 L407 A408 V465	V363-V365 HydrophobicContact CG1-CG2 3.74Å; V363-Y383 HydrophobicContact CG1-CD1 3.93Å; V363-Y383 HydrophobicContact CG1-CG 4.15Å; V363-V387 HydrophobicContact CG2-CG2 3.48Å; V363-V387 VanDerWaalsContact CG2-CG2 3.48Å; V363-V405 HydrophobicContact CB-CG1 3.94Å; V363-V405 HydrophobicContact CG2-CG1 3.54Å; V363-Y406 PolarHBondContact N-O 2.95Å; V363-L407 HydrophobicContact CB-CD1 4.23Å; V363-L407 HydrophobicContact CG1-CD1 4.03Å; V363-A408 PolarHBondContact O-N 2.92Å; V363-V465 VanDerWaalsContact CA-O 3.32Å; V363-V465 WeakPolarHBondContact CA-O 3.4Å; V363-V465 HydrophobicContact CG2-CB 4.44Å
364	H	98.1	Very high	85.3	Confident	8 Å²	8	41 Å²	41	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.6	171.9	178.3	52.8	0	0	0	110.4	Y383 A408 L458 V465 C466 S470	H364-Y383 WeakPolarHBondContact O-CE1 3.37Å; H364-A408 WeakPolarHBondContact CA-O 3.46Å; H364-A408 PolarHBondContact ND1-O 3.07Å; H364-L458 HydrophobicContact CB-CD1 3.91Å; H364-L458 HydrophobicContact CB-CD2 4.18Å; H364-V465 PolarHBondContact N-O 3.12Å; H364-C466 HydrophobicContact CB-CB 3.89Å; H364-S470 PolarHBondContact NE2-OG 2.73Å
365	V	95.6	Very high	84.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.1	177.4	-172.1	0	0	0	0	109.2	V363 R367 I380 Y383 L407 A408 T409 L414	V363-V365 HydrophobicContact CG1-CG2 3.74Å; V365-R367 HydrophobicContact CG1-CG 4Å; V365-I380 HydrophobicContact CG2-CD1 4.15Å; V365-Y383 HydrophobicContact CG1-CE2 3.97Å; V365-Y383 HydrophobicContact CG2-CD1 4.12Å; V365-Y383 HydrophobicContact CG2-CD2 4.15Å; V365-Y383 HydrophobicContact CG2-CE1 4Å; V365-Y383 HydrophobicContact CG2-CE2 4.03Å; V365-Y383 HydrophobicContact CG2-CG 4.2Å; V365-L407 HydrophobicContact CG2-CD1 4.03Å; V365-A408 PolarHBondContact N-O 3.17Å; V365-T409 WeakPolarHBondContact O-CA 3.25Å; V365-T409 PolarHBondContact O-OG1 3.19Å; V365-L414 HydrophobicContact CB-CD2 3.51Å; V365-L414 HydrophobicContact CG1-CD2 3.6Å; V365-L414 HydrophobicContact CG2-CD2 3.74Å
366	R	85.3	Confident	83.4	Confident	40 Å²	40	41.6 Å²	41.6	15%	0.151	24%	0.24	C	C	.	.			trans	-110.1	115.3	178.9	-175.4	67.4	-178.9	173.6	-0.4	109.9	D369 K370 D410 R442	R366-D369 IonicContact CZ-OD1 3.78Å; R366-D369 IonicContact NE-OD1 3.97Å; R366-D369 IonicContact NH2-OD1 2.98Å; R366-D369 PolarHBondContact NH2-OD1 2.91Å; R366-D369 IonicContact NH2-OD2 2.99Å; R366-K370 HydrophobicContact CG-CB 4.31Å; R366-K370 HydrophobicContact CG-CG 4.38Å; R366-D410 WeakPolarHBondContact CD-OD2 3.48Å; R366-D410 IonicContact CZ-OD2 2.65Å; R366-D410 IonicContact NE-OD2 3.4Å; R366-D410 PolarHBondContact NE-OD2 3.35Å; R366-D410 IonicContact NH1-OD2 3.66Å; R366-D410 PolarHBondContact NH1-OD2 3.4Å; R366-D410 IonicContact NH2-OD2 2.72Å; R366-R442 VanDerWaalsContact NH2-NH2 3.13Å
367	R	80.4	Confident	83	Confident	27 Å²	27	45.4 Å²	45.4	10%	0.102	26%	0.257	C	S	.	.			trans	-123.2	-24.5	-173.3	-78.9	178.1	176.1	-171.9	0.6	116.2	V365 V371 F377 D410 D411 L414 E417	V365-R367 HydrophobicContact CG1-CG 4Å; R367-V371 WeakPolarHBondContact O-CG2 3.43Å; R367-F377 HydrophobicContact CG-CD2 4.25Å; R367-F377 HydrophobicContact CG-CE2 4Å; R367-D410 PolarHBondContact N-OD1 3.06Å; R367-D411 HydrophobicContact CB-CB 4.06Å; R367-D411 WeakPolarHBondContact CD-OD2 3.49Å; R367-D411 HydrophobicContact CG-CB 4.49Å; R367-D411 IonicContact CZ-OD2 2.71Å; R367-D411 IonicContact NE-OD2 3.26Å; R367-D411 IonicContact NH1-OD2 3.93Å; R367-D411 PolarHBondContact NH1-OD2 2.92Å; R367-L414 VanDerWaalsContact NH2-CD1 3.34Å; R367-E417 IonicContact CZ-OE2 3.51Å; R367-E417 IonicContact NH1-OE2 3.78Å; R367-E417 PolarHBondContact NH1-OE2 2.65Å; R367-E417 VanDerWaalsContact NH1-OE2 3.09Å; R367-E417 IonicContact NH2-OE1 3.98Å; R367-E417 IonicContact NH2-OE2 3.85Å; R367-E417 PolarHBondContact NH2-OE2 2.86Å
368	T	71.1	Confident	82.7	Confident	54 Å²	54	42.3 Å²	42.3	33%	0.331	24%	0.244	S	C	.	.	S	Bend	trans	-76.8	-94.8	-165.4	63.6	0	0	0	0	114.5	K370 D410 R442	T368-K370 VanDerWaalsContact C-N 3.31Å; T368-K370 PolarHBondContact O-N 2.99Å; T368-D410 VanDerWaalsContact CB-OD2 3.29Å; T368-D410 WeakPolarHBondContact CB-OD2 3.38Å; T368-D410 HydrophobicContact CG2-CB 4.09Å; T368-D410 WeakPolarHBondContact CG2-O 3.28Å; T368-D410 WeakPolarHBondContact CG2-OD2 3.31Å; T368-D410 PolarHBondContact N-OD2 2.85Å; T368-D410 PolarHBondContact OG1-OD2 3.34Å; T368-R442 PolarHBondContact OG1-NH2 3.26Å; T368-R442 VanDerWaalsContact OG1-NH2 3.08Å
369	D	62.1	Low	82.7	Confident	46 Å²	46	39.6 Å²	39.6	25%	0.246	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.7	-169.1	61.9	-53.9	0	0	0	115.1	R366 T373 L439 R442	R366-D369 IonicContact CZ-OD1 3.78Å; R366-D369 IonicContact NE-OD1 3.97Å; R366-D369 IonicContact NH2-OD1 2.98Å; R366-D369 PolarHBondContact NH2-OD1 2.91Å; R366-D369 IonicContact NH2-OD2 2.99Å; D369-T373 PolarHBondContact O-OG1 3.43Å; D369-L439 HydrophobicContact CB-CD1 4.48Å; D369-L439 HydrophobicContact CB-CD2 4.05Å; D369-R442 IonicContact OD1-CZ 3.93Å; D369-R442 IonicContact OD1-NH1 3.55Å; D369-R442 PolarHBondContact OD1-NH1 2.72Å; D369-R442 VanDerWaalsContact OD1-NH1 3.08Å; D369-R442 IonicContact OD1-NH2 2.76Å; D369-R442 PolarHBondContact OD1-NH2 3Å; D369-R442 IonicContact OD2-CZ 3.68Å; D369-R442 IonicContact OD2-NH1 3.7Å; D369-R442 PolarHBondContact OD2-NH1 3.06Å; D369-R442 IonicContact OD2-NH2 3.79Å
370	K	62.5	Low	82.7	Confident	45 Å²	45	38.6 Å²	38.6	20%	0.196	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-16.3	-172.6	-59.2	-53.3	-171	171.3	0	113.6	R366 T368 G372 T373 E374 A375	R366-K370 HydrophobicContact CG-CB 4.31Å; R366-K370 HydrophobicContact CG-CG 4.38Å; T368-K370 VanDerWaalsContact C-N 3.31Å; T368-K370 PolarHBondContact O-N 2.99Å; K370-G372 PolarHBondContact O-N 2.75Å; K370-T373 PolarHBondContact O-N 2.98Å; K370-T373 PolarHBondContact O-OG1 3.04Å; K370-E374 HydrophobicContact CB-CB 4.47Å; K370-E374 HydrophobicContact CD-CB 4.16Å; K370-E374 HydrophobicContact CD-CG 4.26Å; K370-E374 VanDerWaalsContact CD-OE2 3.24Å; K370-E374 WeakPolarHBondContact CD-OE2 3.3Å; K370-E374 WeakPolarHBondContact CE-OE2 3.45Å; K370-E374 IonicContact NZ-OE1 2.81Å; K370-E374 PolarHBondContact NZ-OE1 2.84Å; K370-E374 IonicContact NZ-OE2 3.68Å; K370-E374 PolarHBondContact NZ-OE2 3.22Å; K370-E374 PolarHBondContact O-N 3.16Å; K370-E374 VanDerWaalsContact O-N 3.09Å; K370-A375 PolarHBondContact O-N 2.92Å; K370-A375 VanDerWaalsContact O-O 3.12Å
371	V	69.1	Low	82.7	Confident	55 Å²	55	42.2 Å²	42.2	33%	0.333	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-68.4	119.8	174.3	172.6	0	0	0	0	109.1	R367 A375 F377	R367-V371 WeakPolarHBondContact O-CG2 3.43Å; V371-A375 WeakPolarHBondContact CA-O 3.32Å; V371-F377 HydrophobicContact CG1-CB 3.78Å; V371-F377 HydrophobicContact CG2-CB 4.2Å; V371-F377 HydrophobicContact CG2-CD2 4.43Å
372	G	63.7	Low	82.6	Confident	74 Å²	74	46.1 Å²	46.1	76%	0.763	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-0.8	178.9	0	0	0	0	0	115.5	K370 A375	K370-G372 PolarHBondContact O-N 2.75Å; G372-A375 PolarHBondContact N-O 3.43Å
373	T	69.8	Low	82.6	Confident	106 Å²	106	46.2 Å²	46.2	65%	0.65	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-54.5	173.7	54.9	0	0	0	0	112	D369 K370	D369-T373 PolarHBondContact O-OG1 3.43Å; K370-T373 PolarHBondContact O-N 2.98Å; K370-T373 PolarHBondContact O-OG1 3.04Å
374	E	62.5	Low	82.6	Confident	107 Å²	107	46.3 Å²	46.3	50%	0.5	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-19.6	-174.9	-69.5	176.3	-158.3	0	0	113.2	K370	K370-E374 HydrophobicContact CB-CB 4.47Å; K370-E374 HydrophobicContact CD-CB 4.16Å; K370-E374 HydrophobicContact CD-CG 4.26Å; K370-E374 VanDerWaalsContact CD-OE2 3.24Å; K370-E374 WeakPolarHBondContact CD-OE2 3.3Å; K370-E374 WeakPolarHBondContact CE-OE2 3.45Å; K370-E374 IonicContact NZ-OE1 2.81Å; K370-E374 PolarHBondContact NZ-OE1 2.84Å; K370-E374 IonicContact NZ-OE2 3.68Å; K370-E374 PolarHBondContact NZ-OE2 3.22Å; K370-E374 PolarHBondContact O-N 3.16Å; K370-E374 VanDerWaalsContact O-N 3.09Å
375	A	70.8	Confident	82.6	Confident	21 Å²	21	51.9 Å²	51.9	17%	0.174	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-148.5	165	179.3	0	0	0	0	0	112	K370 V371 G372	K370-A375 PolarHBondContact O-N 2.92Å; K370-A375 VanDerWaalsContact O-O 3.12Å; V371-A375 WeakPolarHBondContact CA-O 3.32Å; G372-A375 PolarHBondContact N-O 3.43Å
376	A	80.1	Confident	82.7	Confident	57 Å²	57	52.7 Å²	52.7	47%	0.471	29%	0.292	S	S	.	.			trans	-85.6	158.6	172.1	0	0	0	0	0	111.4	H378	A376-H378 PolarHBondContact O-CD2 3.38Å
377	F	87.7	Confident	83.3	Confident	109 Å²	109	50.8 Å²	50.8	48%	0.478	28%	0.284	S	S	.	.			trans	-74.5	127	167.2	177.3	-90.4	0	0	0	109.1	R367 V371 P379	R367-F377 HydrophobicContact CG-CD2 4.25Å; R367-F377 HydrophobicContact CG-CE2 4Å; V371-F377 HydrophobicContact CG1-CB 3.78Å; V371-F377 HydrophobicContact CG2-CB 4.2Å; V371-F377 HydrophobicContact CG2-CD2 4.43Å; F377-P379 HydrophobicContact CE1-CB 4.22Å
378	H	91.4	Very high	84.2	Confident	24 Å²	24	52.1 Å²	52.1	11%	0.111	29%	0.292	C	S	.	.			trans	-116	123.2	172.9	-66.6	-84.7	0	0	0	109.9	A376 E382 Y383 L494	A376-H378 PolarHBondContact O-CD2 3.38Å; H378-E382 IonicContact CE1-OE2 3.95Å; H378-E382 IonicContact CG-OE2 3.02Å; H378-E382 IonicContact ND1-OE2 2.78Å; H378-E382 PolarHBondContact ND1-OE2 3.15Å; H378-Y383 HydrophobicContact CB-CE2 3.52Å; H378-L494 HydrophobicContact CB-CD1 3.88Å
379	P	94.3	Very high	85.4	Confident	37 Å²	37	53.3 Å²	53.3	24%	0.24	29%	0.294	C	S	.	.			trans	-66.7	156.6	172.6	31.9	-36.3	0	0	0	110.8	F377 E381 E382 Y383	F377-P379 HydrophobicContact CE1-CB 4.22Å; P379-E381 WeakPolarHBondContact CB-OE2 3.43Å; P379-E381 PolarHBondContact O-N 2.96Å; P379-E382 WeakPolarHBondContact CD-OE1 3.5Å; P379-E382 HydrophobicContact CG-CG 4Å; P379-E382 WeakPolarHBondContact CG-OE1 3.28Å; P379-E382 PolarHBondContact O-N 2.66Å; P379-Y383 WeakPolarHBondContact O-CD2 2.99Å
380	I	97	Very high	87.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-27.3	-174.5	-172.8	58.2	0	0	0	112.6	V365 E382 Y383 M384 L414 E417 A418 K421 Y422	V365-I380 HydrophobicContact CG2-CD1 4.15Å; I380-E382 VanDerWaalsContact C-N 3.29Å; I380-E382 PolarHBondContact O-N 3.49Å; I380-Y383 PolarHBondContact O-N 3.43Å; I380-M384 HydrophobicContact CD1-CG 4.16Å; I380-M384 HydrophobicContact CG1-CG 3.89Å; I380-M384 WeakPolarHBondContact O-CB 3.42Å; I380-M384 VanDerWaalsContact O-CG 3.32Å; I380-M384 WeakPolarHBondContact O-CG 2.96Å; I380-M384 PolarHBondContact O-N 3.49Å; I380-L414 HydrophobicContact CB-CD1 3.95Å; I380-L414 HydrophobicContact CD1-CD1 4.25Å; I380-L414 HydrophobicContact CG1-CD1 4.17Å; I380-E417 WeakPolarHBondContact CG2-OE1 3.29Å; I380-A418 HydrophobicContact CG1-CB 4.34Å; I380-K421 HydrophobicContact CG2-CD 4.01Å; I380-Y422 HydrophobicContact CG1-CE2 4.33Å; I380-Y422 HydrophobicContact CG2-CE2 4.17Å
381	E	98	Very high	88.8	Confident	76 Å²	76	50.1 Å²	50.1	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-56.4	-38.9	175.9	-68.1	78.9	175.7	0	0	113.3	P379 M384 K385 K421 Y422	P379-E381 WeakPolarHBondContact CB-OE2 3.43Å; P379-E381 PolarHBondContact O-N 2.96Å; E381-M384 PolarHBondContact O-N 3.3Å; E381-K385 PolarHBondContact O-N 3.14Å; E381-K421 VanDerWaalsContact OE1-CD 3.32Å; E381-K421 WeakPolarHBondContact OE1-CD 3.33Å; E381-K421 VanDerWaalsContact OE1-CE 3.23Å; E381-K421 WeakPolarHBondContact OE1-CE 3.32Å; E381-K421 IonicContact OE1-NZ 2.86Å; E381-K421 PolarHBondContact OE1-NZ 3.16Å; E381-K421 IonicContact OE2-NZ 3.04Å; E381-Y422 VanDerWaalsContact CA-OH 3.32Å; E381-Y422 WeakPolarHBondContact CA-OH 3.28Å; E381-Y422 WeakPolarHBondContact CG-OH 3.33Å
382	E	97.6	Very high	90.1	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-41.5	178.8	-72.8	179.5	-146.9	0	0	111.2	H378 P379 I380 H386 L494	H378-E382 IonicContact CE1-OE2 3.95Å; H378-E382 IonicContact CG-OE2 3.02Å; H378-E382 IonicContact ND1-OE2 2.78Å; H378-E382 PolarHBondContact ND1-OE2 3.15Å; P379-E382 WeakPolarHBondContact CD-OE1 3.5Å; P379-E382 HydrophobicContact CG-CG 4Å; P379-E382 WeakPolarHBondContact CG-OE1 3.28Å; P379-E382 PolarHBondContact O-N 2.66Å; I380-E382 VanDerWaalsContact C-N 3.29Å; I380-E382 PolarHBondContact O-N 3.49Å; E382-H386 PolarHBondContact O-CD2 3.45Å; E382-H386 VanDerWaalsContact O-CD2 3.25Å; E382-L494 HydrophobicContact CB-CD1 4.04Å
383	Y	98.4	Very high	91.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-48.6	174.4	-59.4	-99.2	0	0	0	110.9	V363 H364 V365 H378 P379 I380 K385 H386 V387 V465 L494	V363-Y383 HydrophobicContact CG1-CD1 3.93Å; V363-Y383 HydrophobicContact CG1-CG 4.15Å; H364-Y383 WeakPolarHBondContact O-CE1 3.37Å; V365-Y383 HydrophobicContact CG1-CE2 3.97Å; V365-Y383 HydrophobicContact CG2-CD1 4.12Å; V365-Y383 HydrophobicContact CG2-CD2 4.15Å; V365-Y383 HydrophobicContact CG2-CE1 4Å; V365-Y383 HydrophobicContact CG2-CE2 4.03Å; V365-Y383 HydrophobicContact CG2-CG 4.2Å; H378-Y383 HydrophobicContact CB-CE2 3.52Å; P379-Y383 WeakPolarHBondContact O-CD2 2.99Å; I380-Y383 PolarHBondContact O-N 3.43Å; Y383-K385 PolarHBondContact O-N 2.89Å; Y383-H386 PolarHBondContact O-N 3.33Å; Y383-H386 VanDerWaalsContact O-N 3.09Å; Y383-V387 WeakPolarHBondContact O-CG2 3.28Å; Y383-V387 PolarHBondContact O-N 3.46Å; Y383-V387 VanDerWaalsContact O-N 3.09Å; Y383-V465 HydrophobicContact CD1-CG1 4.09Å; Y383-L494 HydrophobicContact CD1-CD1 3.74Å; Y383-L494 HydrophobicContact CD1-CG 4.4Å; Y383-L494 HydrophobicContact CD2-CD1 3.74Å; Y383-L494 HydrophobicContact CE1-CD1 3.55Å; Y383-L494 HydrophobicContact CE1-CG 4.3Å; Y383-L494 HydrophobicContact CE2-CD1 3.56Å; Y383-L494 HydrophobicContact CG-CD1 3.82Å; Y383-L494 VanDerWaalsContact CZ-CD1 3.45Å
384	M	98.5	Very high	93	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-23.7	-172.1	-70.6	-59.8	-59.2	0	0	113.4	I380 E381 V387 E388 V405 Y422 Y425 F427	I380-M384 HydrophobicContact CD1-CG 4.16Å; I380-M384 HydrophobicContact CG1-CG 3.89Å; I380-M384 WeakPolarHBondContact O-CB 3.42Å; I380-M384 VanDerWaalsContact O-CG 3.32Å; I380-M384 WeakPolarHBondContact O-CG 2.96Å; I380-M384 PolarHBondContact O-N 3.49Å; E381-M384 PolarHBondContact O-N 3.3Å; M384-V387 HydrophobicContact CE-CB 4.29Å; M384-V387 HydrophobicContact CE-CG1 3.97Å; M384-V387 PolarHBondContact O-N 3.28Å; M384-V387 HydrophobicContact SD-CB 4.17Å; M384-V387 HydrophobicContact SD-CG1 4.24Å; M384-V387 HydrophobicContact SD-CG2 4.02Å; M384-E388 WeakPolarHBondContact O-CB 3.27Å; M384-E388 PolarHBondContact O-N 3.01Å; M384-V405 HydrophobicContact CE-CG2 4.36Å; M384-V405 HydrophobicContact SD-CG2 4.49Å; M384-Y422 HydrophobicContact CB-CD1 4.39Å; M384-Y422 HydrophobicContact CB-CE1 3.68Å; M384-Y422 HydrophobicContact CB-CE2 4.02Å; M384-Y422 VanDerWaalsContact CB-CZ 3.47Å; M384-Y422 HydrophobicContact CE-CD1 3.99Å; M384-Y422 HydrophobicContact CE-CD2 4.4Å; M384-Y422 HydrophobicContact CE-CE1 4.39Å; M384-Y422 HydrophobicContact CE-CG 4.01Å; M384-Y422 HydrophobicContact CG-CD1 4.45Å; M384-Y422 HydrophobicContact CG-CD2 4.02Å; M384-Y422 HydrophobicContact CG-CE1 4.06Å; M384-Y422 HydrophobicContact CG-CE2 3.61Å; M384-Y422 HydrophobicContact CG-CG 4.44Å; M384-Y425 HydrophobicContact CE-CD1 3.85Å; M384-Y425 HydrophobicContact CE-CD2 4.16Å; M384-Y425 HydrophobicContact CE-CE1 3.65Å; M384-Y425 HydrophobicContact CE-CE2 3.97Å; M384-Y425 HydrophobicContact CE-CG 4.07Å; M384-F427 HydrophobicContact CE-CZ 4.09Å; M384-F427 HydrophobicContact SD-CE1 4.19Å; M384-F427 HydrophobicContact SD-CZ 4.21Å
385	K	97.8	Very high	94.6	Very high	125 Å²	125	41.7 Å²	41.7	54%	0.543	22%	0.219	S	C	.	.	H	α-helix	trans	-54.8	-52.4	168	-179.4	-173.4	172.3	-169.9	0	111.2	E381 Y383 E388 E389	E381-K385 PolarHBondContact O-N 3.14Å; Y383-K385 PolarHBondContact O-N 2.89Å; K385-E388 PolarHBondContact O-N 3.01Å; K385-E389 VanDerWaalsContact CE-OE1 3.3Å; K385-E389 WeakPolarHBondContact CE-OE1 3.43Å; K385-E389 WeakPolarHBondContact O-CG 3.39Å; K385-E389 PolarHBondContact O-N 2.76Å
386	H	98.3	Very high	95.8	Very high	16 Å²	16	46.2 Å²	46.2	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-73.3	-30.3	-178.3	-61.3	-58	0	0	0	112.5	E382 Y383 E389 Q390 V465 Y492	E382-H386 PolarHBondContact O-CD2 3.45Å; E382-H386 VanDerWaalsContact O-CD2 3.25Å; Y383-H386 PolarHBondContact O-N 3.33Å; Y383-H386 VanDerWaalsContact O-N 3.09Å; H386-E389 IonicContact CE1-OE2 3.19Å; H386-E389 IonicContact CG-OE2 3.88Å; H386-E389 IonicContact ND1-OE2 3.51Å; H386-E389 PolarHBondContact ND1-OE2 2.99Å; H386-Q390 WeakPolarHBondContact O-CB 3.35Å; H386-Q390 PolarHBondContact O-N 2.94Å; H386-V465 HydrophobicContact CB-CG1 4.14Å; H386-V465 HydrophobicContact CB-CG2 4.25Å; H386-Y492 HydrophobicContact CB-CD1 4.28Å; H386-Y492 HydrophobicContact CB-CG 4.19Å; H386-Y492 AromaticContact CD2-CD1 3.44Å; H386-Y492 VanDerWaalsContact CD2-CD1 3.44Å; H386-Y492 WeakPolarHBondContact CD2-CD1 3.41Å; H386-Y492 AromaticContact CD2-CE1 3.37Å; H386-Y492 WeakPolarHBondContact CD2-CE1 3.44Å; H386-Y492 AromaticContact CD2-CZ 3.97Å; H386-Y492 AromaticContact CE1-CE1 3.41Å; H386-Y492 VanDerWaalsContact CE1-CE1 3.41Å; H386-Y492 WeakPolarHBondContact CE1-CE1 3.41Å; H386-Y492 AromaticContact CE1-CE2 3.62Å; H386-Y492 AromaticContact CE1-CZ 3.16Å; H386-Y492 PolarHBondContact CE1-OH 3Å; H386-Y492 VanDerWaalsContact CE1-OH 3.28Å; H386-Y492 AromaticContact CG-CD1 3.63Å; H386-Y492 AromaticContact CG-CE1 3.82Å; H386-Y492 AromaticContact CG-CG 3.82Å; H386-Y492 AromaticContact ND1-CD2 3.92Å; H386-Y492 AromaticContact ND1-CE1 3.86Å; H386-Y492 AromaticContact ND1-CE2 3.73Å; H386-Y492 AromaticContact ND1-CZ 3.69Å; H386-Y492 AromaticContact NE2-CD1 3.73Å; H386-Y492 AromaticContact NE2-CE1 3.11Å; H386-Y492 WeakPolarHBondContact NE2-CE1 3.02Å; H386-Y492 AromaticContact NE2-CZ 3.37Å
387	V	98.6	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-46.6	170.3	174.5	0	0	0	0	110.8	I361 V363 Y383 M384 Q390 F391 V405 Y425 V465	I361-V387 HydrophobicContact CB-CG1 4.35Å; I361-V387 HydrophobicContact CD1-CG1 4.11Å; I361-V387 WeakPolarHBondContact CD1-O 3.44Å; I361-V387 HydrophobicContact CG2-CB 4.5Å; I361-V387 HydrophobicContact CG2-CG1 4.28Å; I361-V387 HydrophobicContact CG2-CG2 3.98Å; V363-V387 HydrophobicContact CG2-CG2 3.48Å; V363-V387 VanDerWaalsContact CG2-CG2 3.48Å; Y383-V387 WeakPolarHBondContact O-CG2 3.28Å; Y383-V387 PolarHBondContact O-N 3.46Å; Y383-V387 VanDerWaalsContact O-N 3.09Å; M384-V387 HydrophobicContact CE-CB 4.29Å; M384-V387 HydrophobicContact CE-CG1 3.97Å; M384-V387 PolarHBondContact O-N 3.28Å; M384-V387 HydrophobicContact SD-CB 4.17Å; M384-V387 HydrophobicContact SD-CG1 4.24Å; M384-V387 HydrophobicContact SD-CG2 4.02Å; V387-Q390 PolarHBondContact O-N 2.92Å; V387-F391 HydrophobicContact CG1-CD2 3.79Å; V387-F391 HydrophobicContact CG1-CE2 3.7Å; V387-F391 VanDerWaalsContact O-CD2 3.31Å; V387-F391 WeakPolarHBondContact O-CD2 3.36Å; V387-F391 PolarHBondContact O-N 3.07Å; V387-V405 HydrophobicContact CG1-CG2 3.77Å; V387-Y425 HydrophobicContact CG1-CE1 3.9Å; V387-V465 HydrophobicContact CG2-CB 4.36Å; V387-V465 HydrophobicContact CG2-CG2 3.98Å
388	E	98.1	Very high	96.6	Very high	55 Å²	55	44 Å²	44	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-66.1	-45.2	177.8	177.9	56	-162.1	0	0	112	M384 K385 Q390 F391 Q392 K403 Y425	M384-E388 WeakPolarHBondContact O-CB 3.27Å; M384-E388 PolarHBondContact O-N 3.01Å; K385-E388 PolarHBondContact O-N 3.01Å; E388-Q390 PolarHBondContact O-N 3.38Å; E388-F391 PolarHBondContact O-N 3.31Å; E388-Q392 WeakPolarHBondContact O-CG 3.49Å; E388-Q392 PolarHBondContact O-N 2.69Å; E388-Q392 WeakPolarHBondContact OE1-CG 3.29Å; E388-Q392 PolarHBondContact OE1-NE2 3.41Å; E388-K403 IonicContact OE1-NZ 3.71Å; E388-K403 IonicContact OE2-NZ 2.74Å; E388-K403 PolarHBondContact OE2-NZ 3.32Å; E388-Y425 WeakPolarHBondContact CB-OH 3.2Å; E388-Y425 PolarHBondContact OE2-OH 2.83Å
389	E	97.1	Very high	96.6	Very high	79 Å²	79	50 Å²	50	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-53.7	-43.1	175	-74.7	170.7	176.5	0	0	111.4	K385 H386 Q392 L393	K385-E389 VanDerWaalsContact CE-OE1 3.3Å; K385-E389 WeakPolarHBondContact CE-OE1 3.43Å; K385-E389 WeakPolarHBondContact O-CG 3.39Å; K385-E389 PolarHBondContact O-N 2.76Å; H386-E389 IonicContact CE1-OE2 3.19Å; H386-E389 IonicContact CG-OE2 3.88Å; H386-E389 IonicContact ND1-OE2 3.51Å; H386-E389 PolarHBondContact ND1-OE2 2.99Å; E389-Q392 WeakPolarHBondContact O-CB 3.5Å; E389-Q392 PolarHBondContact O-N 3.47Å; E389-L393 PolarHBondContact O-N 3.47Å; E389-L393 VanDerWaalsContact O-N 3.09Å
390	Q	97.8	Very high	96.5	Very high	23 Å²	23	50.2 Å²	50.2	11%	0.107	25%	0.25	C	S	.	.	H	α-helix	trans	-73.2	-37.7	179.7	-178.3	65.2	-5.5	0	0	113	I361 H386 V387 E388 Q392 L393 L394 F463	I361-Q390 HydrophobicContact CD1-CB 3.67Å; I361-Q390 HydrophobicContact CD1-CG 3.6Å; I361-Q390 HydrophobicContact CG1-CG 4.42Å; H386-Q390 WeakPolarHBondContact O-CB 3.35Å; H386-Q390 PolarHBondContact O-N 2.94Å; V387-Q390 PolarHBondContact O-N 2.92Å; E388-Q390 PolarHBondContact O-N 3.38Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 3.29Å; Q390-L393 PolarHBondContact O-N 3.01Å; Q390-L393 VanDerWaalsContact O-N 3.17Å; Q390-L394 HydrophobicContact CG-CD1 4.3Å; Q390-L394 HydrophobicContact CG-CG 4.49Å; Q390-L394 WeakPolarHBondContact O-CG 3.4Å; Q390-L394 PolarHBondContact O-N 2.94Å; Q390-F463 HydrophobicContact CB-CD1 4.19Å; Q390-F463 HydrophobicContact CB-CE1 4.48Å; Q390-F463 HydrophobicContact CB-CG 4.5Å; Q390-F463 HydrophobicContact CG-CB 3.74Å; Q390-F463 HydrophobicContact CG-CD1 3.81Å; Q390-F463 HydrophobicContact CG-CD2 4.1Å; Q390-F463 HydrophobicContact CG-CE1 4.39Å; Q390-F463 HydrophobicContact CG-CG 3.63Å; Q390-F463 VanDerWaalsContact NE2-CD2 3.26Å
391	F	98.2	Very high	96.4	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-38.9	171.6	-87.6	-58.6	0	0	0	111.9	I361 V387 E388 L393 L394 A395 L400 K403 R404 V405 Y425	I361-F391 HydrophobicContact CB-CE2 4.3Å; I361-F391 HydrophobicContact CB-CZ 4.38Å; I361-F391 HydrophobicContact CD1-CD1 4.33Å; I361-F391 HydrophobicContact CD1-CD2 3.66Å; I361-F391 HydrophobicContact CD1-CE1 4.3Å; I361-F391 HydrophobicContact CD1-CE2 3.63Å; I361-F391 HydrophobicContact CD1-CG 4.01Å; I361-F391 HydrophobicContact CD1-CZ 3.95Å; I361-F391 HydrophobicContact CG1-CD2 4.47Å; I361-F391 HydrophobicContact CG1-CE1 4.35Å; I361-F391 HydrophobicContact CG1-CE2 3.96Å; I361-F391 HydrophobicContact CG1-CZ 3.88Å; V387-F391 HydrophobicContact CG1-CD2 3.79Å; V387-F391 HydrophobicContact CG1-CE2 3.7Å; V387-F391 VanDerWaalsContact O-CD2 3.31Å; V387-F391 WeakPolarHBondContact O-CD2 3.36Å; V387-F391 PolarHBondContact O-N 3.07Å; E388-F391 PolarHBondContact O-N 3.31Å; F391-L393 VanDerWaalsContact C-N 3.29Å; F391-L393 PolarHBondContact O-N 3.04Å; F391-L394 HydrophobicContact CD1-CD1 4.39Å; F391-L394 PolarHBondContact O-N 3.44Å; F391-A395 WeakPolarHBondContact O-CB 3.2Å; F391-A395 PolarHBondContact O-N 2.83Å; F391-L400 HydrophobicContact CB-CD1 4.39Å; F391-L400 HydrophobicContact CD1-CD1 3.87Å; F391-L400 HydrophobicContact CD1-CD2 4.49Å; F391-K403 HydrophobicContact CB-CD 4.05Å; F391-K403 HydrophobicContact CB-CG 4.44Å; F391-K403 HydrophobicContact CD1-CB 4.41Å; F391-K403 HydrophobicContact CD1-CG 4.11Å; F391-K403 HydrophobicContact CD2-CB 3.99Å; F391-K403 HydrophobicContact CD2-CD 4.04Å; F391-K403 HydrophobicContact CD2-CG 4.09Å; F391-K403 HydrophobicContact CE1-CB 4.27Å; F391-K403 HydrophobicContact CE1-CG 4.43Å; F391-K403 HydrophobicContact CE2-CB 3.83Å; F391-K403 HydrophobicContact CE2-CG 4.4Å; F391-K403 HydrophobicContact CG-CB 4.29Å; F391-K403 HydrophobicContact CG-CD 3.99Å; F391-K403 HydrophobicContact CG-CG 3.95Å; F391-K403 HydrophobicContact CZ-CB 3.99Å; F391-R404 VanDerWaalsContact CZ-O 3.25Å; F391-R404 WeakPolarHBondContact CZ-O 3.28Å; F391-V405 HydrophobicContact CE2-CG2 4.42Å; F391-Y425 AromaticContact CD2-CE1 3.78Å; F391-Y425 HydrophobicContact CD2-CE1 3.78Å; F391-Y425 HydrophobicContact CE2-CD1 4.23Å; F391-Y425 AromaticContact CE2-CE1 3.84Å; F391-Y425 HydrophobicContact CE2-CE1 3.84Å
392	Q	97.4	Very high	96.3	Very high	64 Å²	64	54.9 Å²	54.9	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-36.9	174.1	-69.2	175.5	5	0	0	112	R162 E388 E389 Q390 R396	R162-Q392 VanDerWaalsContact NH2-OE1 3.11Å; E388-Q392 WeakPolarHBondContact O-CG 3.49Å; E388-Q392 PolarHBondContact O-N 2.69Å; E388-Q392 WeakPolarHBondContact OE1-CG 3.29Å; E388-Q392 PolarHBondContact OE1-NE2 3.41Å; E389-Q392 WeakPolarHBondContact O-CB 3.5Å; E389-Q392 PolarHBondContact O-N 3.47Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 3.29Å; Q392-R396 WeakPolarHBondContact O-CG 3.26Å
393	L	97.3	Very high	96.3	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	27%	0.266	C	S	.	.	H	α-helix	trans	-69.4	-42.9	174	-178.5	62.1	0	0	0	112.2	R162 M165 E389 Q390 F391 R396	R162-L393 HydrophobicContact CB-CD1 4.06Å; R162-L393 HydrophobicContact CG-CB 4.38Å; R162-L393 HydrophobicContact CG-CD1 4.24Å; M165-L393 HydrophobicContact CB-CD1 4.06Å; E389-L393 PolarHBondContact O-N 3.47Å; E389-L393 VanDerWaalsContact O-N 3.09Å; Q390-L393 PolarHBondContact O-N 3.01Å; Q390-L393 VanDerWaalsContact O-N 3.17Å; F391-L393 VanDerWaalsContact C-N 3.29Å; F391-L393 PolarHBondContact O-N 3.04Å; L393-R396 PolarHBondContact O-N 3.39Å
394	L	95.8	Very high	96.3	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-40	178.4	-72.4	172.7	0	0	0	112.2	Q390 F391 R396 R397 A398 L400	Q390-L394 HydrophobicContact CG-CD1 4.3Å; Q390-L394 HydrophobicContact CG-CG 4.49Å; Q390-L394 WeakPolarHBondContact O-CG 3.4Å; Q390-L394 PolarHBondContact O-N 2.94Å; F391-L394 HydrophobicContact CD1-CD1 4.39Å; F391-L394 PolarHBondContact O-N 3.44Å; L394-R396 PolarHBondContact O-N 3.39Å; L394-R397 PolarHBondContact O-N 2.91Å; L394-A398 PolarHBondContact O-N 3.29Å; L394-L400 HydrophobicContact CB-CD2 4.24Å
395	A	96.4	Very high	96.3	Very high	56 Å²	56	53.2 Å²	53.2	46%	0.463	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.4	178	0	0	0	0	0	113.6	F391 R397 L400	F391-A395 WeakPolarHBondContact O-CB 3.2Å; F391-A395 PolarHBondContact O-N 2.83Å; A395-R397 VanDerWaalsContact C-N 3.3Å; A395-L400 HydrophobicContact CB-CD1 3.65Å; A395-L400 HydrophobicContact CB-CG 4.13Å
396	R	95.9	Very high	96.3	Very high	115 Å²	115	47.3 Å²	47.3	43%	0.434	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.4	177	-55	-165.7	77	-88.4	-4.6	114.3	T166 Q392 L393 L394	T166-R396 HydrophobicContact CG2-CB 4.42Å; T166-R396 PolarHBondContact OG1-NH1 3.4Å; Q392-R396 WeakPolarHBondContact O-CG 3.26Å; L393-R396 PolarHBondContact O-N 3.39Å; L394-R396 PolarHBondContact O-N 3.39Å
397	R	93.6	Very high	96.3	Very high	70 Å²	70	46.6 Å²	46.6	26%	0.264	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-21.3	-171.8	-61.3	-176.6	-75.2	159.6	-0.7	113.1	T166 Y169 Y170 L394 A395	T166-R397 HydrophobicContact CG2-CG 3.57Å; Y169-R397 VanDerWaalsContact CD1-NH1 3.27Å; Y169-R397 VanDerWaalsContact CE2-NH1 3.26Å; Y170-R397 HydrophobicContact CE1-CG 4.48Å; L394-R397 PolarHBondContact O-N 2.91Å; A395-R397 VanDerWaalsContact C-N 3.3Å
398	A	91.5	Very high	96.3	Very high	50 Å²	50	46.6 Å²	46.6	41%	0.413	24%	0.236	S	C	.	.	S	Bend	trans	-138.5	147.9	-179.3	0	0	0	0	0	110.5	L394 L400	L394-A398 PolarHBondContact O-N 3.29Å; A398-L400 PolarHBondContact O-N 2.61Å
399	N	91.3	Very high	96.1	Very high	150 Å²	150	44.2 Å²	44.2	80%	0.802	23%	0.225	S	C	*	.			trans	-72.3	123.8	170	-175.5	44.3	0	0	0	109.3
400	L	93	Very high	95.7	Very high	42 Å²	42	40.6 Å²	40.6	22%	0.22	21%	0.209	C	C	.	.			trans	-97.6	106.1	177.9	-55.2	-175.2	0	0	0	109.2	P359 F391 L394 A395 A398	P359-L400 HydrophobicContact CB-CD2 4.17Å; P359-L400 HydrophobicContact CG-CD2 3.46Å; P359-L400 VanDerWaalsContact CG-CD2 3.46Å; F391-L400 HydrophobicContact CB-CD1 4.39Å; F391-L400 HydrophobicContact CD1-CD1 3.87Å; F391-L400 HydrophobicContact CD1-CD2 4.49Å; L394-L400 HydrophobicContact CB-CD2 4.24Å; A395-L400 HydrophobicContact CB-CD1 3.65Å; A395-L400 HydrophobicContact CB-CG 4.13Å; A398-L400 PolarHBondContact O-N 2.61Å
401	D	93.6	Very high	95.4	Very high	98 Å²	98	40.9 Å²	40.9	52%	0.524	21%	0.211	S	C	.	.	S	Bend	trans	-73.7	-34	173.2	69	-39.8	0	0	0	111.7	R404	D401-R404 IonicContact OD1-CZ 3.05Å; D401-R404 IonicContact OD1-NH1 3.09Å; D401-R404 PolarHBondContact OD1-NH1 3.38Å; D401-R404 IonicContact OD1-NH2 3.69Å; D401-R404 PolarHBondContact OD1-NH2 2.75Å; D401-R404 IonicContact OD2-CZ 2.76Å; D401-R404 IonicContact OD2-NH1 3.54Å; D401-R404 PolarHBondContact OD2-NH1 3.16Å; D401-R404 IonicContact OD2-NH2 3.91Å; D401-R404 PolarHBondContact OD2-NH2 2.72Å
402	K	95.6	Very high	94.9	Very high	76 Å²	76	42.3 Å²	42.3	33%	0.33	22%	0.22	S	C	.	.			trans	-155.6	147.1	175.1	-166.6	63.5	170.6	164.8	0	110.7	R404 D424 E426	K402-R404 HydrophobicContact CB-CG 4.46Å; K402-R404 VanDerWaalsContact CB-NH2 3.34Å; K402-R404 PolarHBondContact O-N 3.17Å; K402-D424 WeakPolarHBondContact CE-O 3.35Å; K402-D424 PolarHBondContact NZ-O 3.4Å; K402-E426 HydrophobicContact CD-CB 4.49Å; K402-E426 HydrophobicContact CG-CB 3.71Å; K402-E426 WeakPolarHBondContact CG-OE2 3.42Å
403	K	97.9	Very high	94.7	Very high	48 Å²	48	42.6 Å²	42.6	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	100.9	171	-62.7	-168.5	-65.1	-176.5	0	109.8	E388 F391 Y425 E426	E388-K403 IonicContact OE1-NZ 3.71Å; E388-K403 IonicContact OE2-NZ 2.74Å; E388-K403 PolarHBondContact OE2-NZ 3.32Å; F391-K403 HydrophobicContact CB-CD 4.05Å; F391-K403 HydrophobicContact CB-CG 4.44Å; F391-K403 HydrophobicContact CD1-CB 4.41Å; F391-K403 HydrophobicContact CD1-CG 4.11Å; F391-K403 HydrophobicContact CD2-CB 3.99Å; F391-K403 HydrophobicContact CD2-CD 4.04Å; F391-K403 HydrophobicContact CD2-CG 4.09Å; F391-K403 HydrophobicContact CE1-CB 4.27Å; F391-K403 HydrophobicContact CE1-CG 4.43Å; F391-K403 HydrophobicContact CE2-CB 3.83Å; F391-K403 HydrophobicContact CE2-CG 4.4Å; F391-K403 HydrophobicContact CG-CB 4.29Å; F391-K403 HydrophobicContact CG-CD 3.99Å; F391-K403 HydrophobicContact CG-CG 3.95Å; F391-K403 HydrophobicContact CZ-CB 3.99Å; K403-Y425 HydrophobicContact CB-CD1 3.49Å; K403-Y425 VanDerWaalsContact CB-CD1 3.49Å; K403-Y425 HydrophobicContact CB-CE1 3.67Å; K403-Y425 HydrophobicContact CB-CG 4.16Å; K403-Y425 HydrophobicContact CD-CD1 4.49Å; K403-Y425 HydrophobicContact CD-CE1 3.89Å; K403-Y425 VanDerWaalsContact CE-CZ 3.48Å; K403-Y425 HydrophobicContact CG-CE1 4.37Å; K403-Y425 PolarHBondContact NZ-OH 3.21Å; K403-Y425 WeakPolarHBondContact O-CA 3.28Å; K403-E426 PolarHBondContact O-N 3.27Å
404	R	98.3	Very high	94.6	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.5	-177.2	-67.8	175.1	-173.5	101.9	10.2	112.5	K357 I360 I361 F391 D401 K402 E426	K357-R404 VanDerWaalsContact CD-CZ 3.46Å; I360-R404 WeakPolarHBondContact CA-O 3.48Å; I360-R404 HydrophobicContact CB-CB 4.02Å; I360-R404 HydrophobicContact CD1-CB 4.15Å; I360-R404 HydrophobicContact CG1-CB 3.83Å; I361-R404 PolarHBondContact N-O 2.68Å; F391-R404 VanDerWaalsContact CZ-O 3.25Å; F391-R404 WeakPolarHBondContact CZ-O 3.28Å; D401-R404 IonicContact OD1-CZ 3.05Å; D401-R404 IonicContact OD1-NH1 3.09Å; D401-R404 PolarHBondContact OD1-NH1 3.38Å; D401-R404 IonicContact OD1-NH2 3.69Å; D401-R404 PolarHBondContact OD1-NH2 2.75Å; D401-R404 IonicContact OD2-CZ 2.76Å; D401-R404 IonicContact OD2-NH1 3.54Å; D401-R404 PolarHBondContact OD2-NH1 3.16Å; D401-R404 IonicContact OD2-NH2 3.91Å; D401-R404 PolarHBondContact OD2-NH2 2.72Å; K402-R404 HydrophobicContact CB-CG 4.46Å; K402-R404 VanDerWaalsContact CB-NH2 3.34Å; K402-R404 PolarHBondContact O-N 3.17Å; R404-E426 WeakPolarHBondContact CA-O 3.12Å; R404-E426 HydrophobicContact CG-CB 4.05Å; R404-E426 HydrophobicContact CG-CG 4.29Å; R404-E426 WeakPolarHBondContact CG-OE2 3.36Å; R404-E426 IonicContact CZ-OE2 3.81Å; R404-E426 IonicContact NE-OE2 3.4Å; R404-E426 PolarHBondContact NE-OE2 3.22Å; R404-E426 IonicContact NH2-OE2 3.33Å
405	V	98.8	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122	175.3	174.3	0	0	0	0	109.1	I361 V363 M384 V387 F391 L407 Y425 E426 F427 I428	I361-V405 CarbonylContact O-C 3.54Å; I361-V405 VanDerWaalsContact O-CA 3.31Å; I361-V405 WeakPolarHBondContact O-CA 3.39Å; V363-V405 HydrophobicContact CB-CG1 3.94Å; V363-V405 HydrophobicContact CG2-CG1 3.54Å; M384-V405 HydrophobicContact CE-CG2 4.36Å; M384-V405 HydrophobicContact SD-CG2 4.49Å; V387-V405 HydrophobicContact CG1-CG2 3.77Å; F391-V405 HydrophobicContact CE2-CG2 4.42Å; V405-L407 HydrophobicContact CG1-CB 4.49Å; V405-Y425 HydrophobicContact CG2-CD1 3.86Å; V405-Y425 HydrophobicContact CG2-CE1 4.41Å; V405-E426 PolarHBondContact N-O 3.01Å; V405-F427 HydrophobicContact CB-CD1 3.77Å; V405-F427 HydrophobicContact CB-CE1 3.85Å; V405-F427 HydrophobicContact CG1-CD1 3.85Å; V405-F427 HydrophobicContact CG1-CE1 3.83Å; V405-F427 HydrophobicContact CG2-CE1 4.27Å; V405-F427 WeakPolarHBondContact O-CA 3.42Å; V405-I428 PolarHBondContact O-N 3.1Å
406	Y	98.6	Very high	94.5	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.6	164	-175.3	-97.6	0	0	0	108.5	L354 F356 I361 V363 A408 I428 D454 F457 L458	L354-Y406 HydrophobicContact CD1-CE2 4.12Å; F356-Y406 HydrophobicContact CD2-CD2 4.17Å; F356-Y406 HydrophobicContact CE2-CD2 4.18Å; F356-Y406 HydrophobicContact CE2-CG 4.32Å; I361-Y406 PolarHBondContact O-N 3.47Å; V363-Y406 PolarHBondContact N-O 2.95Å; Y406-A408 HydrophobicContact CE1-CB 4Å; Y406-I428 CarbonylContact C-O 3.46Å; Y406-I428 WeakPolarHBondContact CA-O 3.43Å; Y406-I428 HydrophobicContact CD2-CB 4.34Å; Y406-I428 HydrophobicContact CD2-CG2 4.05Å; Y406-D454 PolarHBondContact OH-OD1 3.32Å; Y406-F457 HydrophobicContact CD1-CB 3.82Å; Y406-F457 HydrophobicContact CD2-CB 3.84Å; Y406-F457 HydrophobicContact CD2-CG 4.37Å; Y406-F457 HydrophobicContact CE1-CB 3.5Å; Y406-F457 VanDerWaalsContact CE1-CB 3.5Å; Y406-F457 HydrophobicContact CE2-CB 3.5Å; Y406-F457 VanDerWaalsContact CE2-CB 3.5Å; Y406-F457 AromaticContact CE2-CD2 3.87Å; Y406-F457 HydrophobicContact CE2-CD2 3.87Å; Y406-F457 AromaticContact CE2-CG 3.8Å; Y406-F457 HydrophobicContact CE2-CG 3.8Å; Y406-F457 HydrophobicContact CG-CB 4Å; Y406-F457 AromaticContact CZ-CD2 3.82Å; Y406-F457 AromaticContact CZ-CG 3.91Å; Y406-L458 HydrophobicContact CD1-CD2 3.94Å; Y406-L458 HydrophobicContact CD1-CG 4.08Å; Y406-L458 HydrophobicContact CE1-CD2 4.43Å; Y406-L458 HydrophobicContact CE1-CG 4.15Å
407	L	98.4	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.5	-177.2	178.7	65.5	0	0	0	110.7	V363 V365 V405 T409 L414 L415 A418 F427 I428 S429	V363-L407 HydrophobicContact CB-CD1 4.23Å; V363-L407 HydrophobicContact CG1-CD1 4.03Å; V365-L407 HydrophobicContact CG2-CD1 4.03Å; V405-L407 HydrophobicContact CG1-CB 4.49Å; L407-T409 HydrophobicContact CG-CG2 4.44Å; L407-L414 HydrophobicContact CD1-CD2 4.28Å; L407-L414 HydrophobicContact CD2-CG 4.26Å; L407-L415 HydrophobicContact CD2-CB 4.44Å; L407-L415 HydrophobicContact CD2-CD1 4.09Å; L407-A418 HydrophobicContact CD2-CB 4.28Å; L407-F427 HydrophobicContact CB-CD1 4.36Å; L407-F427 HydrophobicContact CD2-CD1 4.42Å; L407-I428 PolarHBondContact N-O 3.06Å; L407-S429 VanDerWaalsContact O-CB 3.29Å; L407-S429 WeakPolarHBondContact O-CB 3.16Å; L407-S429 PolarHBondContact O-OG 3.03Å
408	A	97.5	Very high	94.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.1	172.3	0	0	0	0	0	110.2	V363 H364 V365 Y406 D454 L458	V363-A408 PolarHBondContact O-N 2.92Å; H364-A408 WeakPolarHBondContact CA-O 3.46Å; H364-A408 PolarHBondContact ND1-O 3.07Å; V365-A408 PolarHBondContact N-O 3.17Å; Y406-A408 HydrophobicContact CE1-CB 4Å; A408-D454 HydrophobicContact CB-CB 3.95Å; A408-L458 HydrophobicContact CB-CD1 3.78Å; A408-L458 HydrophobicContact CB-CD2 4.09Å; A408-L458 HydrophobicContact CB-CG 4.03Å
409	T	94.3	Very high	95	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.9	-174.5	179.1	0	0	0	0	111.7	V365 L407 D411 L414 S434	V365-T409 WeakPolarHBondContact O-CA 3.25Å; V365-T409 PolarHBondContact O-OG1 3.19Å; L407-T409 HydrophobicContact CG-CG2 4.44Å; T409-D411 VanDerWaalsContact CG2-O 3.26Å; T409-D411 WeakPolarHBondContact CG2-O 3.31Å; T409-D411 PolarHBondContact OG1-N 2.56Å; T409-D411 PolarHBondContact OG1-O 3.48Å; T409-L414 HydrophobicContact CG2-CB 4.3Å; T409-L414 HydrophobicContact CG2-CD2 4.28Å; T409-S434 WeakPolarHBondContact O-CA 3.25Å; T409-S434 VanDerWaalsContact O-CB 3.32Å; T409-S434 WeakPolarHBondContact O-CB 3.32Å; T409-S434 PolarHBondContact O-OG 3.05Å
410	D	89.6	Confident	95.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-92.8	0.7	168.8	63.3	-22.1	0	0	0	113.2	R366 R367 T368 A437	R366-D410 WeakPolarHBondContact CD-OD2 3.48Å; R366-D410 IonicContact CZ-OD2 2.65Å; R366-D410 IonicContact NE-OD2 3.4Å; R366-D410 PolarHBondContact NE-OD2 3.35Å; R366-D410 IonicContact NH1-OD2 3.66Å; R366-D410 PolarHBondContact NH1-OD2 3.4Å; R366-D410 IonicContact NH2-OD2 2.72Å; R367-D410 PolarHBondContact N-OD1 3.06Å; T368-D410 VanDerWaalsContact CB-OD2 3.29Å; T368-D410 WeakPolarHBondContact CB-OD2 3.38Å; T368-D410 HydrophobicContact CG2-CB 4.09Å; T368-D410 WeakPolarHBondContact CG2-O 3.28Å; T368-D410 WeakPolarHBondContact CG2-OD2 3.31Å; T368-D410 PolarHBondContact N-OD2 2.85Å; T368-D410 PolarHBondContact OG1-OD2 3.34Å; D410-A437 HydrophobicContact CB-CB 4.09Å
411	D	90.2	Very high	95.6	Very high	29 Å²	29	40.4 Å²	40.4	16%	0.155	21%	0.206	C	C	.	.			trans	-104.8	106.7	173.5	177.3	-0.9	0	0	0	110.4	R367 T409 S413 L414	R367-D411 HydrophobicContact CB-CB 4.06Å; R367-D411 WeakPolarHBondContact CD-OD2 3.49Å; R367-D411 HydrophobicContact CG-CB 4.49Å; R367-D411 IonicContact CZ-OD2 2.71Å; R367-D411 IonicContact NE-OD2 3.26Å; R367-D411 IonicContact NH1-OD2 3.93Å; R367-D411 PolarHBondContact NH1-OD2 2.92Å; T409-D411 VanDerWaalsContact CG2-O 3.26Å; T409-D411 WeakPolarHBondContact CG2-O 3.31Å; T409-D411 PolarHBondContact OG1-N 2.56Å; T409-D411 PolarHBondContact OG1-O 3.48Å; D411-S413 PolarHBondContact O-N 3.1Å; D411-S413 WeakPolarHBondContact OD1-CB 3.44Å; D411-S413 PolarHBondContact OD1-N 3Å; D411-S413 PolarHBondContact OD1-OG 2.88Å; D411-S413 PolarHBondContact OD2-OG 3.46Å; D411-L414 HydrophobicContact CB-CB 4.34Å; D411-L414 WeakPolarHBondContact O-CB 3.18Å; D411-L414 PolarHBondContact O-N 3.45Å
412	P	88.8	Confident	95.8	Very high	32 Å²	32	38 Å²	38	21%	0.208	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.9	-176.9	28.4	-34.8	0	0	0	114.1	N431 W435	P412-N431 PolarHBondContact O-ND2 3.36Å; P412-N431 PolarHBondContact O-OD1 2.84Å; P412-W435 HydrophobicContact CB-CD2 3.82Å; P412-W435 HydrophobicContact CB-CE3 4.48Å; P412-W435 HydrophobicContact CB-CG 4.01Å; P412-W435 HydrophobicContact CB-CZ2 4.02Å; P412-W435 HydrophobicContact CG-CD2 3.94Å; P412-W435 HydrophobicContact CG-CE3 4.1Å; P412-W435 HydrophobicContact CG-CH2 4.21Å; P412-W435 HydrophobicContact CG-CZ2 4.04Å; P412-W435 HydrophobicContact CG-CZ3 4.23Å
413	S	92.1	Very high	95.9	Very high	69 Å²	69	38.9 Å²	38.9	48%	0.483	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.1	178.1	73.3	0	0	0	0	112.8	D411 L415 Q416 E417	D411-S413 PolarHBondContact O-N 3.1Å; D411-S413 WeakPolarHBondContact OD1-CB 3.44Å; D411-S413 PolarHBondContact OD1-N 3Å; D411-S413 PolarHBondContact OD1-OG 2.88Å; D411-S413 PolarHBondContact OD2-OG 3.46Å; S413-L415 VanDerWaalsContact C-N 3.33Å; S413-L415 PolarHBondContact O-N 2.96Å; S413-Q416 PolarHBondContact O-N 3.4Å; S413-E417 PolarHBondContact O-N 2.82Å
414	L	94.4	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-33.2	-172.6	179	56.2	0	0	0	113.6	V365 R367 I380 L407 T409 D411 Q416 E417 A418	V365-L414 HydrophobicContact CB-CD2 3.51Å; V365-L414 HydrophobicContact CG1-CD2 3.6Å; V365-L414 HydrophobicContact CG2-CD2 3.74Å; R367-L414 VanDerWaalsContact NH2-CD1 3.34Å; I380-L414 HydrophobicContact CB-CD1 3.95Å; I380-L414 HydrophobicContact CD1-CD1 4.25Å; I380-L414 HydrophobicContact CG1-CD1 4.17Å; L407-L414 HydrophobicContact CD1-CD2 4.28Å; L407-L414 HydrophobicContact CD2-CG 4.26Å; T409-L414 HydrophobicContact CG2-CB 4.3Å; T409-L414 HydrophobicContact CG2-CD2 4.28Å; D411-L414 HydrophobicContact CB-CB 4.34Å; D411-L414 WeakPolarHBondContact O-CB 3.18Å; D411-L414 PolarHBondContact O-N 3.45Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 3.37Å; L414-E417 HydrophobicContact CD1-CB 4.4Å; L414-E417 WeakPolarHBondContact CD1-OE2 3.35Å; L414-E417 WeakPolarHBondContact O-CB 3.41Å; L414-E417 PolarHBondContact O-N 2.9Å; L414-A418 WeakPolarHBondContact O-CB 3.45Å; L414-A418 PolarHBondContact O-N 3.34Å
415	L	95.8	Very high	95.9	Very high	18 Å²	18	43 Å²	43	9%	0.094	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-41.1	179.2	179.2	61.3	0	0	0	111.7	L407 S413 K419 F427 N431	L407-L415 HydrophobicContact CD2-CB 4.44Å; L407-L415 HydrophobicContact CD2-CD1 4.09Å; S413-L415 VanDerWaalsContact C-N 3.33Å; S413-L415 PolarHBondContact O-N 2.96Å; L415-K419 HydrophobicContact CD1-CD 4.45Å; L415-K419 WeakPolarHBondContact O-CG 3.48Å; L415-K419 PolarHBondContact O-N 3.46Å; L415-K419 VanDerWaalsContact O-N 3.12Å; L415-F427 HydrophobicContact CD1-CB 3.93Å; L415-N431 HydrophobicContact CD2-CB 3.92Å
416	Q	96.1	Very high	95.8	Very high	124 Å²	124	46 Å²	46	58%	0.579	24%	0.241	S	C	*	.	H	α-helix	trans	-70.4	-42.1	178.1	-174.5	58	44.9	0	0	110.7	S413 L414 A418 K419 T420	S413-Q416 PolarHBondContact O-N 3.4Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 3.37Å; Q416-A418 PolarHBondContact O-N 2.86Å; Q416-K419 PolarHBondContact O-N 2.61Å; Q416-T420 PolarHBondContact NE2-OG1 3.48Å; Q416-T420 WeakPolarHBondContact O-CB 3.28Å; Q416-T420 PolarHBondContact O-N 3.07Å; Q416-T420 PolarHBondContact O-OG1 3.21Å
417	E	96.4	Very high	95.8	Very high	51 Å²	51	46.8 Å²	46.8	24%	0.238	24%	0.244	C	C	.	.	H	α-helix	trans	-55.1	-50.3	174.2	-174	-166.8	163.1	0	0	111.4	R367 I380 S413 L414 T420 K421	R367-E417 IonicContact CZ-OE2 3.51Å; R367-E417 IonicContact NH1-OE2 3.78Å; R367-E417 PolarHBondContact NH1-OE2 2.65Å; R367-E417 VanDerWaalsContact NH1-OE2 3.09Å; R367-E417 IonicContact NH2-OE1 3.98Å; R367-E417 IonicContact NH2-OE2 3.85Å; R367-E417 PolarHBondContact NH2-OE2 2.86Å; I380-E417 WeakPolarHBondContact CG2-OE1 3.29Å; S413-E417 PolarHBondContact O-N 2.82Å; L414-E417 HydrophobicContact CD1-CB 4.4Å; L414-E417 WeakPolarHBondContact CD1-OE2 3.35Å; L414-E417 WeakPolarHBondContact O-CB 3.41Å; L414-E417 PolarHBondContact O-N 2.9Å; E417-T420 PolarHBondContact O-N 3.38Å; E417-K421 HydrophobicContact CG-CD 4.12Å; E417-K421 PolarHBondContact O-N 3.37Å; E417-K421 IonicContact OE1-NZ 2.7Å; E417-K421 PolarHBondContact OE1-NZ 2.99Å
418	A	97.5	Very high	95.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-44.4	-178.4	0	0	0	0	0	112.1	I380 L407 L414 Q416 T420 K421 Y422 F427	I380-A418 HydrophobicContact CG1-CB 4.34Å; L407-A418 HydrophobicContact CD2-CB 4.28Å; L414-A418 WeakPolarHBondContact O-CB 3.45Å; L414-A418 PolarHBondContact O-N 3.34Å; Q416-A418 PolarHBondContact O-N 2.86Å; A418-T420 VanDerWaalsContact C-N 3.3Å; A418-T420 PolarHBondContact O-N 3.09Å; A418-K421 PolarHBondContact O-N 3.07Å; A418-Y422 WeakPolarHBondContact O-CB 3.46Å; A418-Y422 WeakPolarHBondContact O-CD2 3.32Å; A418-Y422 PolarHBondContact O-N 3.26Å; A418-F427 HydrophobicContact CB-CD1 4.17Å; A418-F427 HydrophobicContact CB-CD2 4.49Å; A418-F427 HydrophobicContact CB-CE1 3.75Å; A418-F427 HydrophobicContact CB-CE2 4.1Å; A418-F427 HydrophobicContact CB-CZ 3.71Å; A418-F427 WeakPolarHBondContact O-CE2 3.34Å
419	K	97.7	Very high	95.6	Very high	98 Å²	98	48 Å²	48	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-36.8	176	-76.3	-179.7	176.3	-178.1	0	112.8	L415 Q416 F427	L415-K419 HydrophobicContact CD1-CD 4.45Å; L415-K419 WeakPolarHBondContact O-CG 3.48Å; L415-K419 PolarHBondContact O-N 3.46Å; L415-K419 VanDerWaalsContact O-N 3.12Å; Q416-K419 PolarHBondContact O-N 2.61Å; K419-F427 HydrophobicContact CG-CB 4.23Å; K419-F427 HydrophobicContact CG-CD2 3.89Å; K419-F427 HydrophobicContact CG-CG 4.37Å
420	T	97.9	Very high	95.5	Very high	100 Å²	100	49.1 Å²	49.1	61%	0.613	26%	0.258	S	S	*	.	H	α-helix	trans	-71.9	-41.8	178.1	-66.2	0	0	0	0	111.9	Q416 E417 A418	Q416-T420 PolarHBondContact NE2-OG1 3.48Å; Q416-T420 WeakPolarHBondContact O-CB 3.28Å; Q416-T420 PolarHBondContact O-N 3.07Å; Q416-T420 PolarHBondContact O-OG1 3.21Å; E417-T420 PolarHBondContact O-N 3.38Å; A418-T420 VanDerWaalsContact C-N 3.3Å; A418-T420 PolarHBondContact O-N 3.09Å
421	K	98.3	Very high	95.4	Very high	92 Å²	92	51.2 Å²	51.2	40%	0.4	27%	0.269	S	S	.	.	H	α-helix	trans	-76.9	-28.9	-178.8	-71.4	179.5	176.3	176.6	0	113.7	I380 E381 E417 A418 P423	I380-K421 HydrophobicContact CG2-CD 4.01Å; E381-K421 VanDerWaalsContact OE1-CD 3.32Å; E381-K421 WeakPolarHBondContact OE1-CD 3.33Å; E381-K421 VanDerWaalsContact OE1-CE 3.23Å; E381-K421 WeakPolarHBondContact OE1-CE 3.32Å; E381-K421 IonicContact OE1-NZ 2.86Å; E381-K421 PolarHBondContact OE1-NZ 3.16Å; E381-K421 IonicContact OE2-NZ 3.04Å; E417-K421 HydrophobicContact CG-CD 4.12Å; E417-K421 PolarHBondContact O-N 3.37Å; E417-K421 IonicContact OE1-NZ 2.7Å; E417-K421 PolarHBondContact OE1-NZ 2.99Å; A418-K421 PolarHBondContact O-N 3.07Å; K421-P423 VanDerWaalsContact C-CD 3.48Å; K421-P423 WeakPolarHBondContact O-CD 3.4Å
422	Y	98.3	Very high	95	Very high	47 Å²	47	53.4 Å²	53.4	18%	0.184	29%	0.286	C	S	.	.			trans	-127.5	65.5	-173	-58.8	-82.7	0	0	0	112	I380 E381 M384 A418 D424 Y425 F427	I380-Y422 HydrophobicContact CG1-CE2 4.33Å; I380-Y422 HydrophobicContact CG2-CE2 4.17Å; E381-Y422 VanDerWaalsContact CA-OH 3.32Å; E381-Y422 WeakPolarHBondContact CA-OH 3.28Å; E381-Y422 WeakPolarHBondContact CG-OH 3.33Å; M384-Y422 HydrophobicContact CB-CD1 4.39Å; M384-Y422 HydrophobicContact CB-CE1 3.68Å; M384-Y422 HydrophobicContact CB-CE2 4.02Å; M384-Y422 VanDerWaalsContact CB-CZ 3.47Å; M384-Y422 HydrophobicContact CE-CD1 3.99Å; M384-Y422 HydrophobicContact CE-CD2 4.4Å; M384-Y422 HydrophobicContact CE-CE1 4.39Å; M384-Y422 HydrophobicContact CE-CG 4.01Å; M384-Y422 HydrophobicContact CG-CD1 4.45Å; M384-Y422 HydrophobicContact CG-CD2 4.02Å; M384-Y422 HydrophobicContact CG-CE1 4.06Å; M384-Y422 HydrophobicContact CG-CE2 3.61Å; M384-Y422 HydrophobicContact CG-CG 4.44Å; A418-Y422 WeakPolarHBondContact O-CB 3.46Å; A418-Y422 WeakPolarHBondContact O-CD2 3.32Å; A418-Y422 PolarHBondContact O-N 3.26Å; Y422-D424 PolarHBondContact O-N 2.92Å; Y422-D424 VanDerWaalsContact O-N 3.17Å; Y422-Y425 HydrophobicContact CD1-CD2 4.43Å; Y422-Y425 HydrophobicContact CD1-CE2 4.2Å; Y422-Y425 PolarHBondContact O-N 3.3Å; Y422-Y425 VanDerWaalsContact O-N 3.12Å; Y422-F427 HydrophobicContact CD2-CZ 4.31Å; Y422-F427 HydrophobicContact CG-CZ 4.41Å
423	P	97.6	Very high	94.8	Very high	94 Å²	94	52.5 Å²	52.5	61%	0.61	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.9	-174.4	27.1	-36.2	0	0	0	114.1	K421 Y425	K421-P423 VanDerWaalsContact C-CD 3.48Å; K421-P423 WeakPolarHBondContact O-CD 3.4Å; P423-Y425 PolarHBondContact O-N 2.86Å
424	D	97.1	Very high	94.3	Very high	115 Å²	115	49.3 Å²	49.3	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15.9	178.6	-64.6	-34.6	0	0	0	113.2	K402 Y422	K402-D424 WeakPolarHBondContact CE-O 3.35Å; K402-D424 PolarHBondContact NZ-O 3.4Å; Y422-D424 PolarHBondContact O-N 2.92Å; Y422-D424 VanDerWaalsContact O-N 3.17Å
425	Y	98.2	Very high	93.5	Very high	24 Å²	24	57.3 Å²	57.3	9%	0.094	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	149.2	-178.3	-69.7	-104.4	0	0	0	112.3	M384 V387 E388 F391 K403 V405 Y422 P423	M384-Y425 HydrophobicContact CE-CD1 3.85Å; M384-Y425 HydrophobicContact CE-CD2 4.16Å; M384-Y425 HydrophobicContact CE-CE1 3.65Å; M384-Y425 HydrophobicContact CE-CE2 3.97Å; M384-Y425 HydrophobicContact CE-CG 4.07Å; V387-Y425 HydrophobicContact CG1-CE1 3.9Å; E388-Y425 WeakPolarHBondContact CB-OH 3.2Å; E388-Y425 PolarHBondContact OE2-OH 2.83Å; F391-Y425 AromaticContact CD2-CE1 3.78Å; F391-Y425 HydrophobicContact CD2-CE1 3.78Å; F391-Y425 HydrophobicContact CE2-CD1 4.23Å; F391-Y425 AromaticContact CE2-CE1 3.84Å; F391-Y425 HydrophobicContact CE2-CE1 3.84Å; K403-Y425 HydrophobicContact CB-CD1 3.49Å; K403-Y425 VanDerWaalsContact CB-CD1 3.49Å; K403-Y425 HydrophobicContact CB-CE1 3.67Å; K403-Y425 HydrophobicContact CB-CG 4.16Å; K403-Y425 HydrophobicContact CD-CD1 4.49Å; K403-Y425 HydrophobicContact CD-CE1 3.89Å; K403-Y425 VanDerWaalsContact CE-CZ 3.48Å; K403-Y425 HydrophobicContact CG-CE1 4.37Å; K403-Y425 PolarHBondContact NZ-OH 3.21Å; K403-Y425 WeakPolarHBondContact O-CA 3.28Å; V405-Y425 HydrophobicContact CG2-CD1 3.86Å; V405-Y425 HydrophobicContact CG2-CE1 4.41Å; Y422-Y425 HydrophobicContact CD1-CD2 4.43Å; Y422-Y425 HydrophobicContact CD1-CE2 4.2Å; Y422-Y425 PolarHBondContact O-N 3.3Å; Y422-Y425 VanDerWaalsContact O-N 3.12Å; P423-Y425 PolarHBondContact O-N 2.86Å
426	E	98.1	Very high	92.8	Very high	64 Å²	64	57.4 Å²	57.4	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	103.1	169.9	178.2	-179.2	-172.4	0	0	108.7	K402 K403 R404 V405	K402-E426 HydrophobicContact CD-CB 4.49Å; K402-E426 HydrophobicContact CG-CB 3.71Å; K402-E426 WeakPolarHBondContact CG-OE2 3.42Å; K403-E426 PolarHBondContact O-N 3.27Å; R404-E426 WeakPolarHBondContact CA-O 3.12Å; R404-E426 HydrophobicContact CG-CB 4.05Å; R404-E426 HydrophobicContact CG-CG 4.29Å; R404-E426 WeakPolarHBondContact CG-OE2 3.36Å; R404-E426 IonicContact CZ-OE2 3.81Å; R404-E426 IonicContact NE-OE2 3.4Å; R404-E426 PolarHBondContact NE-OE2 3.22Å; R404-E426 IonicContact NH2-OE2 3.33Å; V405-E426 PolarHBondContact N-O 3.01Å
427	F	98.1	Very high	91.8	Very high	16 Å²	16	52.4 Å²	52.4	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.6	175.7	-69.7	-85.9	0	0	0	111.1	M384 V405 L407 L415 A418 K419 Y422	M384-F427 HydrophobicContact CE-CZ 4.09Å; M384-F427 HydrophobicContact SD-CE1 4.19Å; M384-F427 HydrophobicContact SD-CZ 4.21Å; V405-F427 HydrophobicContact CB-CD1 3.77Å; V405-F427 HydrophobicContact CB-CE1 3.85Å; V405-F427 HydrophobicContact CG1-CD1 3.85Å; V405-F427 HydrophobicContact CG1-CE1 3.83Å; V405-F427 HydrophobicContact CG2-CE1 4.27Å; V405-F427 WeakPolarHBondContact O-CA 3.42Å; L407-F427 HydrophobicContact CB-CD1 4.36Å; L407-F427 HydrophobicContact CD2-CD1 4.42Å; L415-F427 HydrophobicContact CD1-CB 3.93Å; A418-F427 HydrophobicContact CB-CD1 4.17Å; A418-F427 HydrophobicContact CB-CD2 4.49Å; A418-F427 HydrophobicContact CB-CE1 3.75Å; A418-F427 HydrophobicContact CB-CE2 4.1Å; A418-F427 HydrophobicContact CB-CZ 3.71Å; A418-F427 WeakPolarHBondContact O-CE2 3.34Å; K419-F427 HydrophobicContact CG-CB 4.23Å; K419-F427 HydrophobicContact CG-CD2 3.89Å; K419-F427 HydrophobicContact CG-CG 4.37Å; Y422-F427 HydrophobicContact CD2-CZ 4.31Å; Y422-F427 HydrophobicContact CG-CZ 4.41Å
428	I	97.3	Very high	90.8	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.6	172.5	-53.9	-174.2	0	0	0	107.7	L354 I360 V405 Y406 L407	L354-I428 HydrophobicContact CB-CG2 3.74Å; L354-I428 HydrophobicContact CD1-CG2 4.26Å; L354-I428 HydrophobicContact CD2-CG2 4.37Å; L354-I428 HydrophobicContact CG-CG2 4.35Å; I360-I428 HydrophobicContact CD1-CD1 3.79Å; I360-I428 HydrophobicContact CD1-CG1 4.47Å; V405-I428 PolarHBondContact O-N 3.1Å; Y406-I428 CarbonylContact C-O 3.46Å; Y406-I428 WeakPolarHBondContact CA-O 3.43Å; Y406-I428 HydrophobicContact CD2-CB 4.34Å; Y406-I428 HydrophobicContact CD2-CG2 4.05Å; L407-I428 PolarHBondContact N-O 3.06Å
429	S	95	Very high	89.8	Confident	19 Å²	19	56 Å²	56	13%	0.133	29%	0.294	C	S	.	.			trans	-165.2	145	-179.2	-175.4	0	0	0	0	109.2	L407	L407-S429 VanDerWaalsContact O-CB 3.29Å; L407-S429 WeakPolarHBondContact O-CB 3.16Å; L407-S429 PolarHBondContact O-OG 3.03Å
430	D	90.6	Very high	88.8	Confident	27 Å²	27	60.1 Å²	60.1	14%	0.144	32%	0.315	C	S	.	.			trans	-99.6	96.8	166.7	-165.5	-35.7	0	0	0	109.3	K353 L354 S432 I433	K353-D430 IonicContact NZ-OD2 2.84Å; K353-D430 PolarHBondContact NZ-OD2 2.91Å; L354-D430 HydrophobicContact CD2-CB 4.47Å; D430-S432 PolarHBondContact O-N 3.37Å; D430-S432 VanDerWaalsContact OD1-CB 3.31Å; D430-S432 WeakPolarHBondContact OD1-CB 3.22Å; D430-S432 PolarHBondContact OD1-N 3.01Å; D430-S432 PolarHBondContact OD1-OG 3.37Å; D430-I433 HydrophobicContact CB-CD1 3.81Å; D430-I433 HydrophobicContact CB-CG1 3.98Å; D430-I433 VanDerWaalsContact O-CB 3.31Å; D430-I433 WeakPolarHBondContact O-CB 3.37Å; D430-I433 PolarHBondContact O-N 3.41Å
431	N	87.3	Confident	88	Confident	48 Å²	48	59.7 Å²	59.7	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-18.9	-175.3	-153.5	31.6	0	0	0	113	P412 L415 I433 S434 W435	P412-N431 PolarHBondContact O-ND2 3.36Å; P412-N431 PolarHBondContact O-OD1 2.84Å; L415-N431 HydrophobicContact CD2-CB 3.92Å; N431-I433 VanDerWaalsContact C-N 3.25Å; N431-I433 PolarHBondContact O-N 2.88Å; N431-S434 WeakPolarHBondContact O-CB 3.33Å; N431-S434 PolarHBondContact O-N 3.47Å; N431-S434 PolarHBondContact OD1-OG 2.77Å; N431-W435 PolarHBondContact O-N 2.82Å
432	S	83.7	Confident	87.2	Confident	75 Å²	75	56 Å²	56	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-67	-30	174.5	74.4	0	0	0	0	112	D430 W435 S436	D430-S432 PolarHBondContact O-N 3.37Å; D430-S432 VanDerWaalsContact OD1-CB 3.31Å; D430-S432 WeakPolarHBondContact OD1-CB 3.22Å; D430-S432 PolarHBondContact OD1-N 3.01Å; D430-S432 PolarHBondContact OD1-OG 3.37Å; S432-W435 PolarHBondContact O-N 2.85Å; S432-S436 PolarHBondContact O-N 3.45Å; S432-S436 VanDerWaalsContact O-N 3.1Å
433	I	83.9	Confident	86.7	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-46.2	172.7	-62.7	177.9	0	0	0	109.7	D430 N431 W435 S436 A437 L453 D454	D430-I433 HydrophobicContact CB-CD1 3.81Å; D430-I433 HydrophobicContact CB-CG1 3.98Å; D430-I433 VanDerWaalsContact O-CB 3.31Å; D430-I433 WeakPolarHBondContact O-CB 3.37Å; D430-I433 PolarHBondContact O-N 3.41Å; N431-I433 VanDerWaalsContact C-N 3.25Å; N431-I433 PolarHBondContact O-N 2.88Å; I433-W435 VanDerWaalsContact C-N 3.3Å; I433-W435 PolarHBondContact O-N 2.91Å; I433-S436 PolarHBondContact O-N 2.82Å; I433-S436 PolarHBondContact O-OG 3.42Å; I433-A437 PolarHBondContact O-N 2.94Å; I433-L453 HydrophobicContact CD1-CB 4.19Å; I433-L453 HydrophobicContact CD1-CD1 4.37Å; I433-D454 VanDerWaalsContact CG2-OD2 3.24Å; I433-D454 WeakPolarHBondContact CG2-OD2 3.35Å
434	S	81	Confident	86.4	Confident	2 Å²	2	57 Å²	57	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-43.6	176.9	-43.7	0	0	0	0	112.2	T409 N431 S436 A437	T409-S434 WeakPolarHBondContact O-CA 3.25Å; T409-S434 VanDerWaalsContact O-CB 3.32Å; T409-S434 WeakPolarHBondContact O-CB 3.32Å; T409-S434 PolarHBondContact O-OG 3.05Å; N431-S434 WeakPolarHBondContact O-CB 3.33Å; N431-S434 PolarHBondContact O-N 3.47Å; N431-S434 PolarHBondContact OD1-OG 2.77Å; S434-S436 PolarHBondContact O-N 3.32Å; S434-A437 PolarHBondContact O-N 3.03Å
435	W	77.9	Confident	86.1	Confident	169 Å²	169	55.7 Å²	55.7	64%	0.64	28%	0.281	S	S	*	.	H	α-helix	trans	-62.7	-40.5	174.7	-79.1	105.3	0	0	0	112.9	P412 N431 S432 I433 A437 G438	P412-W435 HydrophobicContact CB-CD2 3.82Å; P412-W435 HydrophobicContact CB-CE3 4.48Å; P412-W435 HydrophobicContact CB-CG 4.01Å; P412-W435 HydrophobicContact CB-CZ2 4.02Å; P412-W435 HydrophobicContact CG-CD2 3.94Å; P412-W435 HydrophobicContact CG-CE3 4.1Å; P412-W435 HydrophobicContact CG-CH2 4.21Å; P412-W435 HydrophobicContact CG-CZ2 4.04Å; P412-W435 HydrophobicContact CG-CZ3 4.23Å; N431-W435 PolarHBondContact O-N 2.82Å; S432-W435 PolarHBondContact O-N 2.85Å; I433-W435 VanDerWaalsContact C-N 3.3Å; I433-W435 PolarHBondContact O-N 2.91Å; W435-A437 VanDerWaalsContact C-N 3.29Å; W435-A437 PolarHBondContact O-N 3.26Å; W435-G438 PolarHBondContact O-N 3.28Å
436	S	80.8	Confident	85.8	Confident	20 Å²	20	59.9 Å²	59.9	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-25.1	179.4	79.2	0	0	0	0	113.3	S432 I433 S434 G438 N441 S447	S432-S436 PolarHBondContact O-N 3.45Å; S432-S436 VanDerWaalsContact O-N 3.1Å; I433-S436 PolarHBondContact O-N 2.82Å; I433-S436 PolarHBondContact O-OG 3.42Å; S434-S436 PolarHBondContact O-N 3.32Å; S436-G438 VanDerWaalsContact C-N 3.28Å; S436-G438 PolarHBondContact O-N 2.85Å; S436-N441 CarbonylContact O-C 3.49Å; S436-S447 WeakPolarHBondContact O-CB 3.5Å; S436-S447 PolarHBondContact O-OG 2.92Å; S436-S447 VanDerWaalsContact O-OG 3.08Å
437	A	75	Confident	85.5	Confident	18 Å²	18	57.1 Å²	57.1	15%	0.149	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.6	-179.9	0	0	0	0	0	113.9	D410 I433 S434 W435 R442	D410-A437 HydrophobicContact CB-CB 4.09Å; I433-A437 PolarHBondContact O-N 2.94Å; S434-A437 PolarHBondContact O-N 3.03Å; W435-A437 VanDerWaalsContact C-N 3.29Å; W435-A437 PolarHBondContact O-N 3.26Å; A437-R442 PolarHBondContact O-NE 2.72Å; A437-R442 VanDerWaalsContact O-NE 3.1Å
438	G	75.9	Confident	85.3	Confident	20 Å²	20	56.4 Å²	56.4	21%	0.206	29%	0.289	C	S	.	.	S	Bend	trans	-59.5	151.5	174.7	0	0	0	0	0	112.7	W435 S436 H440 N441 R442	W435-G438 PolarHBondContact O-N 3.28Å; S436-G438 VanDerWaalsContact C-N 3.28Å; S436-G438 PolarHBondContact O-N 2.85Å; G438-H440 PolarHBondContact O-N 2.84Å; G438-N441 PolarHBondContact O-N 2.94Å; G438-R442 WeakPolarHBondContact O-CB 3.43Å; G438-R442 PolarHBondContact O-N 2.93Å; G438-R442 VanDerWaalsContact O-N 3.08Å
439	L	76.4	Confident	85.2	Confident	106 Å²	106	59.9 Å²	59.9	56%	0.555	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.7	-170.3	-74.5	169.7	0	0	0	114.7	D369	D369-L439 HydrophobicContact CB-CD1 4.48Å; D369-L439 HydrophobicContact CB-CD2 4.05Å
440	H	76	Confident	85.2	Confident	185 Å²	185	59.1 Å²	59.1	86%	0.856	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-28	-178.2	-62.2	-65.6	0	0	0	114.3	G438	G438-H440 PolarHBondContact O-N 2.84Å
441	N	80.8	Confident	85.5	Confident	91 Å²	91	59 Å²	59	49%	0.487	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-0.4	-173.5	-66.1	-42.3	0	0	0	113.7	S436 G438 Y443 T444 S447	S436-N441 CarbonylContact O-C 3.49Å; G438-N441 PolarHBondContact O-N 2.94Å; N441-Y443 VanDerWaalsContact C-N 3.3Å; N441-Y443 PolarHBondContact O-N 2.94Å; N441-T444 VanDerWaalsContact O-CG2 3.32Å; N441-T444 WeakPolarHBondContact O-CG2 3.2Å; N441-T444 PolarHBondContact O-OG1 3.17Å; N441-S447 WeakPolarHBondContact O-CB 3.29Å
442	R	82.1	Confident	86	Confident	16 Å²	16	57.2 Å²	57.2	6%	0.06	29%	0.288	C	S	.	.	S	Bend	trans	-57.7	-35.5	-170.3	-174.7	179.6	-68.9	-173	-2.4	114.6	Y251 R366 T368 D369 A437 G438 T444 S447	Y251-R442 WeakPolarHBondContact CE1-O 3.33Å; R366-R442 VanDerWaalsContact NH2-NH2 3.13Å; T368-R442 PolarHBondContact OG1-NH2 3.26Å; T368-R442 VanDerWaalsContact OG1-NH2 3.08Å; D369-R442 IonicContact OD1-CZ 3.93Å; D369-R442 IonicContact OD1-NH1 3.55Å; D369-R442 PolarHBondContact OD1-NH1 2.72Å; D369-R442 VanDerWaalsContact OD1-NH1 3.08Å; D369-R442 IonicContact OD1-NH2 2.76Å; D369-R442 PolarHBondContact OD1-NH2 3Å; D369-R442 IonicContact OD2-CZ 3.68Å; D369-R442 IonicContact OD2-NH1 3.7Å; D369-R442 PolarHBondContact OD2-NH1 3.06Å; D369-R442 IonicContact OD2-NH2 3.79Å; A437-R442 PolarHBondContact O-NE 2.72Å; A437-R442 VanDerWaalsContact O-NE 3.1Å; G438-R442 WeakPolarHBondContact O-CB 3.43Å; G438-R442 PolarHBondContact O-N 2.93Å; G438-R442 VanDerWaalsContact O-N 3.08Å; R442-T444 PolarHBondContact O-N 3.28Å; R442-S447 VanDerWaalsContact O-CB 3.28Å; R442-S447 WeakPolarHBondContact O-CB 3.29Å; R442-S447 PolarHBondContact O-OG 3.11Å
443	Y	88.4	Confident	86.6	Confident	107 Å²	107	54.1 Å²	54.1	42%	0.42	27%	0.265	S	S	.	.	S	Bend	trans	-101	62.8	-176.5	-58.7	-60.7	0	0	0	110.4	R250 Y251 N441	R250-Y443 HydrophobicContact CB-CD1 4.42Å; R250-Y443 HydrophobicContact CG-CD1 3.81Å; R250-Y443 HydrophobicContact CG-CE1 4.33Å; R250-Y443 CarbonylContact O-C 3.53Å; Y251-Y443 HydrophobicContact CD1-CD1 4.42Å; Y251-Y443 HydrophobicContact CD2-CD1 4.46Å; Y251-Y443 AromaticContact CE1-CD1 3.96Å; Y251-Y443 HydrophobicContact CE1-CD1 3.96Å; Y251-Y443 HydrophobicContact CE1-CE1 4.42Å; Y251-Y443 AromaticContact CE2-CD1 3.98Å; Y251-Y443 HydrophobicContact CE2-CD1 3.98Å; Y251-Y443 HydrophobicContact CE2-CE1 4.08Å; Y251-Y443 AromaticContact CZ-CD1 3.71Å; Y251-Y443 AromaticContact CZ-CE1 3.79Å; N441-Y443 VanDerWaalsContact C-N 3.3Å; N441-Y443 PolarHBondContact O-N 2.94Å
444	T	91.1	Very high	87.3	Confident	54 Å²	54	54.1 Å²	54.1	33%	0.331	27%	0.266	S	S	.	.	S	Bend	trans	-139	159.2	178.2	63.4	0	0	0	0	110.3	Y251 N441 R442 N446 S447 L448	Y251-T444 CarbonylContact O-C 3.52Å; N441-T444 VanDerWaalsContact O-CG2 3.32Å; N441-T444 WeakPolarHBondContact O-CG2 3.2Å; N441-T444 PolarHBondContact O-OG1 3.17Å; R442-T444 PolarHBondContact O-N 3.28Å; T444-N446 PolarHBondContact O-N 3.33Å; T444-S447 PolarHBondContact O-N 3.47Å; T444-S447 PolarHBondContact OG1-N 2.97Å; T444-L448 PolarHBondContact O-N 3.2Å
445	E	91	Very high	88.1	Confident	88 Å²	88	54.2 Å²	54.2	41%	0.411	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-33.6	178.9	-67.3	-173.1	176.3	0	0	112.2	Y251 A252 L448 R449	Y251-E445 VanDerWaalsContact O-CA 3.32Å; Y251-E445 WeakPolarHBondContact O-CA 3.39Å; Y251-E445 WeakPolarHBondContact O-CG 3.29Å; Y251-E445 PolarHBondContact O-N 3.04Å; A252-E445 HydrophobicContact CB-CG 3.8Å; E445-L448 WeakPolarHBondContact O-CB 3.41Å; E445-L448 PolarHBondContact O-N 3.41Å; E445-R449 WeakPolarHBondContact O-CG 3.3Å; E445-R449 PolarHBondContact O-N 3.39Å
446	N	91.1	Very high	89.1	Confident	112 Å²	112	48.3 Å²	48.3	60%	0.599	25%	0.245	S	C	*	.	H	α-helix	trans	-66.4	-42.9	175.8	-73.8	-12.8	0	0	0	111.8	T444 L448 R449 G450	T444-N446 PolarHBondContact O-N 3.33Å; N446-L448 VanDerWaalsContact C-N 3.34Å; N446-R449 PolarHBondContact O-N 3.35Å; N446-G450 PolarHBondContact O-N 2.93Å
447	S	92.2	Very high	89.9	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-36.6	175.5	-172.2	0	0	0	0	111.7	S436 N441 R442 T444 G450 V451	S436-S447 WeakPolarHBondContact O-CB 3.5Å; S436-S447 PolarHBondContact O-OG 2.92Å; S436-S447 VanDerWaalsContact O-OG 3.08Å; N441-S447 WeakPolarHBondContact O-CB 3.29Å; R442-S447 VanDerWaalsContact O-CB 3.28Å; R442-S447 WeakPolarHBondContact O-CB 3.29Å; R442-S447 PolarHBondContact O-OG 3.11Å; T444-S447 PolarHBondContact O-N 3.47Å; T444-S447 PolarHBondContact OG1-N 2.97Å; S447-G450 PolarHBondContact O-N 3.24Å; S447-V451 PolarHBondContact O-N 3.41Å
448	L	94.4	Very high	91.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-49.4	172.8	179.1	62	0	0	0	111.6	Y221 W249 Y251 A252 V259 T444 E445 N446 G450 V451 I452	Y221-L448 HydrophobicContact CD2-CD1 3.5Å; Y221-L448 HydrophobicContact CE2-CD1 3.79Å; Y221-L448 HydrophobicContact CG-CD1 4.25Å; W249-L448 HydrophobicContact CE3-CD2 4.35Å; W249-L448 HydrophobicContact CH2-CD1 3.62Å; W249-L448 HydrophobicContact CH2-CD2 3.56Å; W249-L448 HydrophobicContact CH2-CG 4.24Å; W249-L448 HydrophobicContact CZ2-CD1 4.04Å; W249-L448 HydrophobicContact CZ2-CD2 4.46Å; W249-L448 HydrophobicContact CZ3-CD1 4.43Å; W249-L448 HydrophobicContact CZ3-CD2 3.49Å; W249-L448 VanDerWaalsContact CZ3-CD2 3.49Å; Y251-L448 HydrophobicContact CD1-CB 4.04Å; Y251-L448 HydrophobicContact CD1-CD1 4.21Å; Y251-L448 HydrophobicContact CG-CB 4.43Å; Y251-L448 HydrophobicContact CG-CD1 4.14Å; A252-L448 HydrophobicContact CB-CD2 3.97Å; V259-L448 HydrophobicContact CG1-CD2 3.83Å; V259-L448 HydrophobicContact CG1-CG 4.42Å; V259-L448 HydrophobicContact CG2-CD2 4.07Å; T444-L448 PolarHBondContact O-N 3.2Å; E445-L448 WeakPolarHBondContact O-CB 3.41Å; E445-L448 PolarHBondContact O-N 3.41Å; N446-L448 VanDerWaalsContact C-N 3.34Å; L448-G450 VanDerWaalsContact C-N 3.3Å; L448-G450 PolarHBondContact O-N 3.14Å; L448-V451 HydrophobicContact CD1-CG1 4.45Å; L448-V451 VanDerWaalsContact O-CG1 3.25Å; L448-V451 WeakPolarHBondContact O-CG1 3.43Å; L448-V451 PolarHBondContact O-N 2.85Å; L448-I452 HydrophobicContact CD1-CD1 3.86Å; L448-I452 HydrophobicContact CD1-CG1 4.26Å; L448-I452 HydrophobicContact CG-CD1 3.81Å; L448-I452 WeakPolarHBondContact O-CB 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.3Å; L448-I452 PolarHBondContact O-N 3.5Å
449	R	94.6	Very high	92.2	Very high	81 Å²	81	45.6 Å²	45.6	31%	0.306	22%	0.222	S	C	.	.	H	α-helix	trans	-58	-45.7	175.6	-73.7	168	69.6	-174.7	6.3	111.2	W342 E346 E445 N446 I452 L453	W342-R449 HydrophobicContact CH2-CG 3.87Å; W342-R449 HydrophobicContact CZ3-CG 4.3Å; E346-R449 IonicContact OE1-CZ 3.77Å; E346-R449 IonicContact OE1-NE 3.38Å; E346-R449 PolarHBondContact OE1-NE 2.85Å; E346-R449 IonicContact OE1-NH2 2.64Å; E346-R449 PolarHBondContact OE1-NH2 3.01Å; E346-R449 IonicContact OE2-CZ 3.89Å; E346-R449 IonicContact OE2-NE 3.84Å; E346-R449 PolarHBondContact OE2-NE 3.05Å; E346-R449 IonicContact OE2-NH2 3.47Å; E346-R449 PolarHBondContact OE2-NH2 2.99Å; E445-R449 WeakPolarHBondContact O-CG 3.3Å; E445-R449 PolarHBondContact O-N 3.39Å; N446-R449 PolarHBondContact O-N 3.35Å; R449-I452 PolarHBondContact O-N 3.24Å; R449-L453 WeakPolarHBondContact O-CG 3.22Å; R449-L453 PolarHBondContact O-N 3.21Å
450	G	95.1	Very high	93.2	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-56	-52.3	177.1	0	0	0	0	0	113.1	N446 S447 L448 I452 L453 D454	N446-G450 PolarHBondContact O-N 2.93Å; S447-G450 PolarHBondContact O-N 3.24Å; L448-G450 VanDerWaalsContact C-N 3.3Å; L448-G450 PolarHBondContact O-N 3.14Å; G450-I452 VanDerWaalsContact C-N 3.33Å; G450-I452 PolarHBondContact O-N 3.45Å; G450-L453 PolarHBondContact O-N 3.25Å; G450-D454 PolarHBondContact O-N 3.27Å
451	V	96.1	Very high	94.3	Very high	25 Å²	25	34.4 Å²	34.4	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-32.7	-179.8	69.4	0	0	0	0	112.8	Y221 S447 L448 I455 V472	Y221-V451 HydrophobicContact CD1-CG1 3.91Å; Y221-V451 HydrophobicContact CD1-CG2 4.21Å; Y221-V451 HydrophobicContact CG-CG1 4Å; S447-V451 PolarHBondContact O-N 3.41Å; L448-V451 HydrophobicContact CD1-CG1 4.45Å; L448-V451 VanDerWaalsContact O-CG1 3.25Å; L448-V451 WeakPolarHBondContact O-CG1 3.43Å; L448-V451 PolarHBondContact O-N 2.85Å; V451-I455 HydrophobicContact CG2-CD1 3.97Å; V451-I455 HydrophobicContact CG2-CG1 4.45Å; V451-I455 WeakPolarHBondContact O-CB 3.24Å; V451-I455 VanDerWaalsContact O-CG1 3.28Å; V451-I455 WeakPolarHBondContact O-CG1 3.32Å; V451-I455 PolarHBondContact O-N 2.77Å; V451-V472 HydrophobicContact CG2-CG2 4.12Å
452	I	97.8	Very high	95.1	Very high	10 Å²	10	32 Å²	32	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-44.8	173.9	-70.8	168.7	0	0	0	110.5	Y221 V259 F260 L343 L448 R449 G450 I455 H456	Y221-I452 HydrophobicContact CE1-CG1 4.37Å; Y221-I452 HydrophobicContact CE2-CG1 4.36Å; V259-I452 HydrophobicContact CB-CD1 4.05Å; V259-I452 HydrophobicContact CG1-CD1 4.09Å; V259-I452 HydrophobicContact CG2-CD1 4.06Å; F260-I452 HydrophobicContact CE2-CD1 4.04Å; F260-I452 HydrophobicContact CZ-CD1 3.76Å; F260-I452 HydrophobicContact CZ-CG1 4.09Å; F260-I452 HydrophobicContact CZ-CG2 4.34Å; L343-I452 HydrophobicContact CD1-CG2 4.36Å; L343-I452 HydrophobicContact CD2-CG2 4.11Å; L448-I452 HydrophobicContact CD1-CD1 3.86Å; L448-I452 HydrophobicContact CD1-CG1 4.26Å; L448-I452 HydrophobicContact CG-CD1 3.81Å; L448-I452 WeakPolarHBondContact O-CB 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.3Å; L448-I452 PolarHBondContact O-N 3.5Å; R449-I452 PolarHBondContact O-N 3.24Å; G450-I452 VanDerWaalsContact C-N 3.33Å; G450-I452 PolarHBondContact O-N 3.45Å; I452-I455 PolarHBondContact O-N 3.05Å; I452-H456 WeakPolarHBondContact O-CB 3.49Å; I452-H456 PolarHBondContact O-N 3.32Å
453	L	97.6	Very high	95.9	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.047	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-44.5	177.1	-69.9	174	0	0	0	111.6	E346 I347 T350 I433 R449 G450 I455 H456 F457	E346-L453 HydrophobicContact CG-CD1 4.35Å; E346-L453 HydrophobicContact CG-CD2 4.46Å; I347-L453 HydrophobicContact CB-CD2 4.49Å; I347-L453 HydrophobicContact CG1-CD2 3.67Å; T350-L453 HydrophobicContact CG2-CD1 4.48Å; I433-L453 HydrophobicContact CD1-CB 4.19Å; I433-L453 HydrophobicContact CD1-CD1 4.37Å; R449-L453 WeakPolarHBondContact O-CG 3.22Å; R449-L453 PolarHBondContact O-N 3.21Å; G450-L453 PolarHBondContact O-N 3.25Å; L453-I455 PolarHBondContact O-N 3.37Å; L453-H456 WeakPolarHBondContact O-CB 3.46Å; L453-H456 PolarHBondContact O-N 3.44Å; L453-F457 HydrophobicContact CB-CD2 4.49Å; L453-F457 HydrophobicContact CB-CE2 4.35Å; L453-F457 HydrophobicContact CD2-CE2 4.37Å; L453-F457 WeakPolarHBondContact O-CD2 3.23Å; L453-F457 PolarHBondContact O-N 3.24Å
454	D	97.8	Very high	96.4	Very high	13 Å²	13	27 Å²	27	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-48.1	176.1	-87	-20.1	0	0	0	112	Y406 A408 I433 G450 H456 F457 L458	Y406-D454 PolarHBondContact OH-OD1 3.32Å; A408-D454 HydrophobicContact CB-CB 3.95Å; I433-D454 VanDerWaalsContact CG2-OD2 3.24Å; I433-D454 WeakPolarHBondContact CG2-OD2 3.35Å; G450-D454 PolarHBondContact O-N 3.27Å; D454-H456 VanDerWaalsContact C-N 3.31Å; D454-H456 PolarHBondContact O-N 3.37Å; D454-F457 PolarHBondContact O-N 2.91Å; D454-L458 VanDerWaalsContact O-CB 3.31Å; D454-L458 WeakPolarHBondContact O-CB 3.35Å; D454-L458 WeakPolarHBondContact O-CD1 3.33Å; D454-L458 WeakPolarHBondContact O-CG 3.36Å; D454-L458 PolarHBondContact O-N 2.94Å
455	I	98.5	Very high	96.8	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.9	-74.2	169.4	0	0	0	110.9	Y221 V451 I452 L453 S459 V472 V475 A476 I479	Y221-I455 HydrophobicContact CD1-CD1 3.8Å; Y221-I455 HydrophobicContact CE1-CD1 3.58Å; V451-I455 HydrophobicContact CG2-CD1 3.97Å; V451-I455 HydrophobicContact CG2-CG1 4.45Å; V451-I455 WeakPolarHBondContact O-CB 3.24Å; V451-I455 VanDerWaalsContact O-CG1 3.28Å; V451-I455 WeakPolarHBondContact O-CG1 3.32Å; V451-I455 PolarHBondContact O-N 2.77Å; I452-I455 PolarHBondContact O-N 3.05Å; L453-I455 PolarHBondContact O-N 3.37Å; I455-S459 WeakPolarHBondContact O-CB 3.49Å; I455-S459 PolarHBondContact O-N 2.88Å; I455-S459 PolarHBondContact O-OG 2.93Å; I455-V472 HydrophobicContact CD1-CG1 4.13Å; I455-V472 HydrophobicContact CG1-CG1 3.68Å; I455-V475 HydrophobicContact CD1-CB 4.4Å; I455-V475 HydrophobicContact CD1-CG1 4.2Å; I455-V475 HydrophobicContact CG2-CB 4.45Å; I455-V475 HydrophobicContact CG2-CG1 3.7Å; I455-A476 HydrophobicContact CG2-CB 4.38Å; I455-I479 HydrophobicContact CG2-CD1 3.57Å
456	H	98.4	Very high	97.1	Very high	45 Å²	45	20.3 Å²	20.3	21%	0.208	10%	0.1	C	C	.	.	H	α-helix	trans	-57.9	-56.1	176.6	176.4	79.7	0	0	0	110.7	I347 I452 L453 D454 L458 S459 Q460	I347-H456 VanDerWaalsContact CG2-NE2 3.3Å; I347-H456 WeakPolarHBondContact CG2-NE2 3.43Å; I452-H456 WeakPolarHBondContact O-CB 3.49Å; I452-H456 PolarHBondContact O-N 3.32Å; L453-H456 WeakPolarHBondContact O-CB 3.46Å; L453-H456 PolarHBondContact O-N 3.44Å; D454-H456 VanDerWaalsContact C-N 3.31Å; D454-H456 PolarHBondContact O-N 3.37Å; H456-L458 PolarHBondContact O-N 2.96Å; H456-S459 PolarHBondContact O-N 3.49Å; H456-S459 VanDerWaalsContact O-N 3.15Å; H456-S459 PolarHBondContact O-OG 3.23Å; H456-Q460 VanDerWaalsContact O-CG 3.28Å; H456-Q460 WeakPolarHBondContact O-CG 3.45Å; H456-Q460 PolarHBondContact O-N 3.39Å; H456-Q460 VanDerWaalsContact O-N 3.14Å
457	F	98.6	Very high	97.3	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-66.9	-36	-177.1	-71.5	-58.9	0	0	0	113.3	T350 T351 L354 F356 Y406 L453 D454 S459 Q460 T461	T350-F457 HydrophobicContact CG2-CE2 3.6Å; T350-F457 HydrophobicContact CG2-CZ 3.85Å; T351-F457 VanDerWaalsContact OG1-CE1 3.32Å; T351-F457 WeakPolarHBondContact OG1-CE1 3.33Å; L354-F457 HydrophobicContact CD1-CD2 4.32Å; L354-F457 HydrophobicContact CD1-CE2 4Å; L354-F457 HydrophobicContact CD1-CZ 4.33Å; F356-F457 HydrophobicContact CB-CD1 4.5Å; F356-F457 HydrophobicContact CB-CE1 4.34Å; F356-F457 HydrophobicContact CD1-CD1 4.46Å; F356-F457 HydrophobicContact CD2-CB 4.36Å; F356-F457 AromaticContact CD2-CD1 3.54Å; F356-F457 HydrophobicContact CD2-CD1 3.54Å; F356-F457 HydrophobicContact CD2-CE1 4.2Å; F356-F457 HydrophobicContact CD2-CG 4.21Å; F356-F457 HydrophobicContact CE2-CB 3.95Å; F356-F457 AromaticContact CE2-CD1 3.75Å; F356-F457 HydrophobicContact CE2-CD1 3.75Å; F356-F457 HydrophobicContact CE2-CG 4.25Å; F356-F457 AromaticContact CG-CD1 3.93Å; F356-F457 HydrophobicContact CG-CD1 3.93Å; F356-F457 HydrophobicContact CG-CE1 4.2Å; F356-F457 HydrophobicContact CZ-CD1 4.32Å; Y406-F457 HydrophobicContact CD1-CB 3.82Å; Y406-F457 HydrophobicContact CD2-CB 3.84Å; Y406-F457 HydrophobicContact CD2-CG 4.37Å; Y406-F457 HydrophobicContact CE1-CB 3.5Å; Y406-F457 VanDerWaalsContact CE1-CB 3.5Å; Y406-F457 HydrophobicContact CE2-CB 3.5Å; Y406-F457 VanDerWaalsContact CE2-CB 3.5Å; Y406-F457 AromaticContact CE2-CD2 3.87Å; Y406-F457 HydrophobicContact CE2-CD2 3.87Å; Y406-F457 AromaticContact CE2-CG 3.8Å; Y406-F457 HydrophobicContact CE2-CG 3.8Å; Y406-F457 HydrophobicContact CG-CB 4Å; Y406-F457 AromaticContact CZ-CD2 3.82Å; Y406-F457 AromaticContact CZ-CG 3.91Å; L453-F457 HydrophobicContact CB-CD2 4.49Å; L453-F457 HydrophobicContact CB-CE2 4.35Å; L453-F457 HydrophobicContact CD2-CE2 4.37Å; L453-F457 WeakPolarHBondContact O-CD2 3.23Å; L453-F457 PolarHBondContact O-N 3.24Å; D454-F457 PolarHBondContact O-N 2.91Å; F457-S459 VanDerWaalsContact C-N 3.33Å; F457-S459 PolarHBondContact O-N 3.26Å; F457-Q460 PolarHBondContact O-N 2.86Å; F457-T461 WeakPolarHBondContact O-CG2 3.32Å; F457-T461 PolarHBondContact O-N 3.42Å
458	L	98.8	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.1	-45.1	171.3	-72.8	168.9	0	0	0	111.2	H364 Y406 A408 D454 H456 Q460 T461 L464 A476	H364-L458 HydrophobicContact CB-CD1 3.91Å; H364-L458 HydrophobicContact CB-CD2 4.18Å; Y406-L458 HydrophobicContact CD1-CD2 3.94Å; Y406-L458 HydrophobicContact CD1-CG 4.08Å; Y406-L458 HydrophobicContact CE1-CD2 4.43Å; Y406-L458 HydrophobicContact CE1-CG 4.15Å; A408-L458 HydrophobicContact CB-CD1 3.78Å; A408-L458 HydrophobicContact CB-CD2 4.09Å; A408-L458 HydrophobicContact CB-CG 4.03Å; D454-L458 VanDerWaalsContact O-CB 3.31Å; D454-L458 WeakPolarHBondContact O-CB 3.35Å; D454-L458 WeakPolarHBondContact O-CD1 3.33Å; D454-L458 WeakPolarHBondContact O-CG 3.36Å; D454-L458 PolarHBondContact O-N 2.94Å; H456-L458 PolarHBondContact O-N 2.96Å; L458-Q460 VanDerWaalsContact C-N 3.25Å; L458-Q460 PolarHBondContact O-N 3.06Å; L458-T461 PolarHBondContact O-N 3.19Å; L458-T461 PolarHBondContact O-OG1 3.4Å; L458-L464 HydrophobicContact CB-CD1 4.13Å; L458-L464 HydrophobicContact CD2-CD1 3.81Å; L458-L464 HydrophobicContact CG-CD1 4.47Å; L458-A476 HydrophobicContact CB-CB 3.64Å; L458-A476 HydrophobicContact CD1-CB 4.33Å
459	S	98.6	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-27.4	-179.6	74.6	0	0	0	0	113.6	I455 H456 F457 T461 A476 I479 L483	I455-S459 WeakPolarHBondContact O-CB 3.49Å; I455-S459 PolarHBondContact O-N 2.88Å; I455-S459 PolarHBondContact O-OG 2.93Å; H456-S459 PolarHBondContact O-N 3.49Å; H456-S459 VanDerWaalsContact O-N 3.15Å; H456-S459 PolarHBondContact O-OG 3.23Å; F457-S459 VanDerWaalsContact C-N 3.33Å; F457-S459 PolarHBondContact O-N 3.26Å; S459-T461 VanDerWaalsContact C-N 3.32Å; S459-A476 WeakPolarHBondContact CB-O 3.44Å; S459-I479 WeakPolarHBondContact OG-CG2 3.49Å; S459-L483 VanDerWaalsContact O-CD1 3.27Å; S459-L483 WeakPolarHBondContact O-CD1 3.32Å
460	Q	98.4	Very high	97.6	Very high	57 Å²	57	11.9 Å²	11.9	27%	0.266	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.9	-179.9	-63.9	-69.6	-29.1	0	0	113.2	F356 H358 H456 F457 L458 L483	F356-Q460 HydrophobicContact CE1-CB 4.05Å; F356-Q460 HydrophobicContact CZ-CB 3.9Å; H358-Q460 PolarHBondContact CE1-O 2.82Å; H456-Q460 VanDerWaalsContact O-CG 3.28Å; H456-Q460 WeakPolarHBondContact O-CG 3.45Å; H456-Q460 PolarHBondContact O-N 3.39Å; H456-Q460 VanDerWaalsContact O-N 3.14Å; F457-Q460 PolarHBondContact O-N 2.86Å; L458-Q460 VanDerWaalsContact C-N 3.25Å; L458-Q460 PolarHBondContact O-N 3.06Å; Q460-L483 HydrophobicContact CG-CD1 4.39Å; Q460-L483 VanDerWaalsContact NE2-CD1 3.31Å
461	T	98.5	Very high	97.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-79.2	159.5	-179.1	62.1	0	0	0	0	112.7	F356 I360 G362 F457 L458 S459 F463 M480	F356-T461 HydrophobicContact CE2-CG2 4.33Å; F356-T461 HydrophobicContact CZ-CG2 4.17Å; I360-T461 HydrophobicContact CG1-CG2 4.44Å; I360-T461 HydrophobicContact CG2-CG2 4.14Å; I360-T461 WeakPolarHBondContact O-CB 3.49Å; G362-T461 VanDerWaalsContact CA-CG2 3.47Å; G362-T461 VanDerWaalsContact N-CB 3.32Å; G362-T461 PolarHBondContact N-OG1 2.99Å; F457-T461 WeakPolarHBondContact O-CG2 3.32Å; F457-T461 PolarHBondContact O-N 3.42Å; L458-T461 PolarHBondContact O-N 3.19Å; L458-T461 PolarHBondContact O-OG1 3.4Å; S459-T461 VanDerWaalsContact C-N 3.32Å; T461-F463 PolarHBondContact O-N 3.44Å; T461-F463 PolarHBondContact OG1-O 3.42Å; T461-F463 VanDerWaalsContact OG1-O 3.1Å; T461-M480 WeakPolarHBondContact O-CE 3.23Å
462	D	98	Very high	97.7	Very high	39 Å²	39	13.6 Å²	13.6	21%	0.209	7%	0.069	C	C	.	.	S	Bend	trans	-73.7	-16.3	-180	-58	-73.8	0	0	0	113	H358 P359 I360	H358-D462 IonicContact CE1-OD1 3.98Å; H358-D462 IonicContact CG-OD1 3.76Å; H358-D462 IonicContact CG-OD2 3.59Å; H358-D462 VanDerWaalsContact ND1-CG 3.28Å; H358-D462 IonicContact ND1-OD1 2.72Å; H358-D462 PolarHBondContact ND1-OD1 2.97Å; H358-D462 IonicContact ND1-OD2 2.82Å; H358-D462 PolarHBondContact ND1-OD2 2.95Å; P359-D462 WeakPolarHBondContact CA-OD2 3.26Å; I360-D462 PolarHBondContact N-OD2 3.16Å; I360-D462 PolarHBondContact O-N 3.15Å
463	F	98.7	Very high	97.7	Very high	20 Å²	20	13.1 Å²	13.1	9%	0.088	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	146.6	177.4	-162	-102.2	0	0	0	110.2	I361 G362 Q390 T461 V465 S489 Y490 F491	I361-F463 HydrophobicContact CG1-CB 4.31Å; I361-F463 HydrophobicContact CG2-CB 4.46Å; I361-F463 WeakPolarHBondContact CG2-O 3.37Å; G362-F463 PolarHBondContact N-O 2.86Å; Q390-F463 HydrophobicContact CB-CD1 4.19Å; Q390-F463 HydrophobicContact CB-CE1 4.48Å; Q390-F463 HydrophobicContact CB-CG 4.5Å; Q390-F463 HydrophobicContact CG-CB 3.74Å; Q390-F463 HydrophobicContact CG-CD1 3.81Å; Q390-F463 HydrophobicContact CG-CD2 4.1Å; Q390-F463 HydrophobicContact CG-CE1 4.39Å; Q390-F463 HydrophobicContact CG-CG 3.63Å; Q390-F463 VanDerWaalsContact NE2-CD2 3.26Å; T461-F463 PolarHBondContact O-N 3.44Å; T461-F463 PolarHBondContact OG1-O 3.42Å; T461-F463 VanDerWaalsContact OG1-O 3.1Å; F463-V465 HydrophobicContact CD1-CG2 3.96Å; F463-V465 HydrophobicContact CE1-CG2 4.1Å; F463-S489 WeakPolarHBondContact CE2-O 2.95Å; F463-Y490 VanDerWaalsContact CD2-C 3.41Å; F463-Y490 VanDerWaalsContact CE2-C 3.46Å; F463-F491 VanDerWaalsContact CE2-N 3.33Å; F463-F491 WeakPolarHBondContact CZ-O 3.03Å
464	L	98.9	Very high	97.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121	-175.9	-175.8	61	0	0	0	112.4	L458 C473 A476 M480 Y490 F491 Y492	L458-L464 HydrophobicContact CB-CD1 4.13Å; L458-L464 HydrophobicContact CD2-CD1 3.81Å; L458-L464 HydrophobicContact CG-CD1 4.47Å; L464-C473 WeakPolarHBondContact CD2-SG 3.08Å; L464-A476 HydrophobicContact CD2-CB 4.28Å; L464-M480 HydrophobicContact CB-CE 3.97Å; L464-Y490 PolarHBondContact N-O 3.37Å; L464-F491 HydrophobicContact CB-CB 4.35Å; L464-F491 CarbonylContact O-C 3.08Å; L464-F491 WeakPolarHBondContact O-CA 3.43Å; L464-F491 WeakPolarHBondContact O-CB 3.39Å; L464-Y492 PolarHBondContact O-N 3.41Å
465	V	98.8	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.2	173.6	-172.6	0	0	0	0	109.5	I361 G362 V363 H364 Y383 H386 V387 F463 Y492	I361-V465 HydrophobicContact CG2-CG2 4.1Å; G362-V465 PolarHBondContact O-N 3.19Å; V363-V465 VanDerWaalsContact CA-O 3.32Å; V363-V465 WeakPolarHBondContact CA-O 3.4Å; V363-V465 HydrophobicContact CG2-CB 4.44Å; H364-V465 PolarHBondContact N-O 3.12Å; Y383-V465 HydrophobicContact CD1-CG1 4.09Å; H386-V465 HydrophobicContact CB-CG1 4.14Å; H386-V465 HydrophobicContact CB-CG2 4.25Å; V387-V465 HydrophobicContact CG2-CB 4.36Å; V387-V465 HydrophobicContact CG2-CG2 3.98Å; F463-V465 HydrophobicContact CD1-CG2 3.96Å; F463-V465 HydrophobicContact CE1-CG2 4.1Å; V465-Y492 WeakPolarHBondContact CA-O 3.13Å
466	C	98	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-167.2	-174.9	73.2	0	0	0	0	112.9	H364 F468 C473 Y492 S493 L494	H364-C466 HydrophobicContact CB-CB 3.89Å; C466-F468 VanDerWaalsContact SG-CD1 3.55Å; C466-C473 HydrophobicContact CB-CB 3.62Å; C466-C473 WeakPolarHBondContact CB-SG 3.37Å; C466-C473 WeakPolarHBondContact SG-CB 3.41Å; C466-C473 CovalentContact SG-SG 1.99Å; C466-C473 PolarHBondContact SG-SG 2.79Å; C466-Y492 PolarHBondContact N-O 3.19Å; C466-S493 CarbonylContact O-C 3.56Å; C466-S493 VanDerWaalsContact O-CA 3.28Å; C466-S493 WeakPolarHBondContact O-CA 3.42Å; C466-L494 PolarHBondContact O-N 2.84Å
467	T	96.5	Very high	97.8	Very high	3 Å²	3	10 Å²	10	2%	0.018	5%	0.051	C	C	.	.			trans	-107.9	124.8	161.6	48.8	0	0	0	0	110.5	S469 S470 L494 D495	T467-S469 PolarHBondContact O-N 3.36Å; T467-S470 WeakPolarHBondContact O-CB 3.47Å; T467-S470 PolarHBondContact O-N 2.91Å; T467-L494 HydrophobicContact CG2-CB 4.08Å; T467-D495 VanDerWaalsContact C-OD1 3.31Å; T467-D495 WeakPolarHBondContact CA-OD1 3.37Å; T467-D495 WeakPolarHBondContact CB-OD1 3.29Å; T467-D495 VanDerWaalsContact CB-OD2 3.23Å; T467-D495 WeakPolarHBondContact CB-OD2 3.33Å; T467-D495 WeakPolarHBondContact CG2-OD2 3.07Å
468	F	97.3	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.8	174.9	-82.1	-9.1	0	0	0	113.5	C466 S470 C473 R474 Y477 F491 S493 D495 D496 Y499	C466-F468 VanDerWaalsContact SG-CD1 3.55Å; F468-S470 PolarHBondContact O-N 3.31Å; F468-C473 HydrophobicContact CD1-CB 4.32Å; F468-R474 HydrophobicContact CB-CG 4.3Å; F468-R474 HydrophobicContact CD1-CG 4.12Å; F468-R474 HydrophobicContact CG-CG 4.32Å; F468-R474 VanDerWaalsContact O-CD 3.25Å; F468-R474 WeakPolarHBondContact O-CD 3.49Å; F468-R474 WeakPolarHBondContact O-CG 3.2Å; F468-R474 PolarHBondContact O-NH1 3.47Å; F468-Y477 HydrophobicContact CE1-CD1 4.35Å; F468-Y477 HydrophobicContact CE1-CG 4.11Å; F468-Y477 HydrophobicContact CE2-CD1 4.4Å; F468-Y477 HydrophobicContact CE2-CE1 4.44Å; F468-Y477 AromaticContact CZ-CD1 3.73Å; F468-Y477 HydrophobicContact CZ-CD1 3.73Å; F468-Y477 HydrophobicContact CZ-CD2 4.06Å; F468-Y477 HydrophobicContact CZ-CE1 4.11Å; F468-Y477 HydrophobicContact CZ-CE2 4.42Å; F468-Y477 AromaticContact CZ-CG 3.69Å; F468-Y477 HydrophobicContact CZ-CG 3.69Å; F468-F491 HydrophobicContact CD2-CD2 4.21Å; F468-F491 AromaticContact CD2-CE2 3.93Å; F468-F491 HydrophobicContact CD2-CE2 3.93Å; F468-F491 HydrophobicContact CE1-CD2 4.19Å; F468-F491 HydrophobicContact CE1-CG 4.49Å; F468-F491 HydrophobicContact CE2-CD1 4.31Å; F468-F491 AromaticContact CE2-CD2 3.34Å; F468-F491 HydrophobicContact CE2-CD2 3.34Å; F468-F491 HydrophobicContact CE2-CE1 4.18Å; F468-F491 AromaticContact CE2-CE2 3.21Å; F468-F491 HydrophobicContact CE2-CE2 3.21Å; F468-F491 AromaticContact CE2-CG 3.93Å; F468-F491 HydrophobicContact CE2-CG 3.93Å; F468-F491 AromaticContact CE2-CZ 3.66Å; F468-F491 HydrophobicContact CE2-CZ 3.66Å; F468-F491 HydrophobicContact CZ-CB 4.07Å; F468-F491 HydrophobicContact CZ-CD1 4.12Å; F468-F491 AromaticContact CZ-CD2 3.33Å; F468-F491 HydrophobicContact CZ-CD2 3.33Å; F468-F491 HydrophobicContact CZ-CE1 4.43Å; F468-F491 AromaticContact CZ-CE2 3.74Å; F468-F491 HydrophobicContact CZ-CE2 3.74Å; F468-F491 AromaticContact CZ-CG 3.55Å; F468-F491 HydrophobicContact CZ-CG 3.55Å; F468-F491 HydrophobicContact CZ-CZ 4.27Å; F468-S493 WeakPolarHBondContact CB-OG 3.28Å; F468-S493 PolarHBondContact N-OG 2.64Å; F468-S493 VanDerWaalsContact N-OG 3.08Å; F468-D495 PolarHBondContact N-OD1 2.84Å; F468-D496 HydrophobicContact CB-CB 4.13Å; F468-D496 WeakPolarHBondContact CB-O 3.34Å; F468-Y499 WeakPolarHBondContact O-CE1 3.26Å
469	S	94.2	Very high	97.9	Very high	10 Å²	10	11 Å²	11	7%	0.07	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31	160.5	59	0	0	0	0	112.1	T467 R474 D495 D496	T467-S469 PolarHBondContact O-N 3.36Å; S469-R474 VanDerWaalsContact C-NH1 3.29Å; S469-R474 PolarHBondContact O-NH1 2.77Å; S469-D495 WeakPolarHBondContact CB-OD2 3.24Å; S469-D495 PolarHBondContact N-OD1 3.41Å; S469-D495 PolarHBondContact OG-OD2 2.9Å; S469-D496 WeakPolarHBondContact CA-OD2 3.29Å; S469-D496 WeakPolarHBondContact CB-OD2 3.32Å
470	S	95.6	Very high	97.9	Very high	9 Å²	9	11 Å²	11	6%	0.063	6%	0.056	C	C	.	.	S	Bend	trans	-77.6	122.4	177.5	-179.4	0	0	0	0	112.7	H364 T467 F468 V472 C473 R474	H364-S470 PolarHBondContact NE2-OG 2.73Å; T467-S470 WeakPolarHBondContact O-CB 3.47Å; T467-S470 PolarHBondContact O-N 2.91Å; F468-S470 PolarHBondContact O-N 3.31Å; S470-V472 PolarHBondContact O-N 3.42Å; S470-V472 PolarHBondContact OG-N 3.26Å; S470-C473 PolarHBondContact O-N 2.87Å; S470-R474 PolarHBondContact O-N 2.8Å; S470-R474 PolarHBondContact O-NH1 2.97Å
471	Q	96.1	Very high	97.9	Very high	44 Å²	44	8.3 Å²	8.3	21%	0.206	4%	0.044	C	C	.	.	H	α-helix	trans	-63.1	-29	175.6	-56.9	80.4	22.4	0	0	112.1	C223 C473 R474 V475	C223-Q471 HydrophobicContact CB-CG 4.12Å; Q471-C473 VanDerWaalsContact C-N 3.34Å; Q471-C473 PolarHBondContact O-N 2.89Å; Q471-R474 PolarHBondContact O-N 2.73Å; Q471-V475 VanDerWaalsContact O-CG2 3.28Å; Q471-V475 WeakPolarHBondContact O-CG2 3.41Å; Q471-V475 PolarHBondContact O-N 2.04Å
472	V	96.7	Very high	97.9	Very high	21 Å²	21	10 Å²	10	13%	0.127	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-46.2	177.4	173.5	0	0	0	0	110.3	V451 I455 S470 V475 A476	V451-V472 HydrophobicContact CG2-CG2 4.12Å; I455-V472 HydrophobicContact CD1-CG1 4.13Å; I455-V472 HydrophobicContact CG1-CG1 3.68Å; S470-V472 PolarHBondContact O-N 3.42Å; S470-V472 PolarHBondContact OG-N 3.26Å; V472-V475 PolarHBondContact O-N 2.55Å; V472-A476 PolarHBondContact O-N 3.33Å; V472-A476 VanDerWaalsContact O-N 3.1Å
473	C	98	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.5	-42.7	178	-170.9	0	0	0	0	111.9	L464 C466 F468 S470 Q471 V475 A476 Y477	L464-C473 WeakPolarHBondContact CD2-SG 3.08Å; C466-C473 HydrophobicContact CB-CB 3.62Å; C466-C473 WeakPolarHBondContact CB-SG 3.37Å; C466-C473 WeakPolarHBondContact SG-CB 3.41Å; C466-C473 CovalentContact SG-SG 1.99Å; C466-C473 PolarHBondContact SG-SG 2.79Å; F468-C473 HydrophobicContact CD1-CB 4.32Å; S470-C473 PolarHBondContact O-N 2.87Å; Q471-C473 VanDerWaalsContact C-N 3.34Å; Q471-C473 PolarHBondContact O-N 2.89Å; C473-V475 VanDerWaalsContact C-N 3.32Å; C473-V475 PolarHBondContact O-N 2.86Å; C473-A476 PolarHBondContact O-N 3.48Å; C473-Y477 WeakPolarHBondContact O-CB 3.42Å; C473-Y477 PolarHBondContact O-N 2.82Å
474	R	98.7	Very high	97.8	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.015	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-40.2	179	-62.3	-160.9	-57.9	-84.6	18	112.3	F468 S469 S470 Q471 Y477 E478 Y498 Y499	F468-R474 HydrophobicContact CB-CG 4.3Å; F468-R474 HydrophobicContact CD1-CG 4.12Å; F468-R474 HydrophobicContact CG-CG 4.32Å; F468-R474 VanDerWaalsContact O-CD 3.25Å; F468-R474 WeakPolarHBondContact O-CD 3.49Å; F468-R474 WeakPolarHBondContact O-CG 3.2Å; F468-R474 PolarHBondContact O-NH1 3.47Å; S469-R474 VanDerWaalsContact C-NH1 3.29Å; S469-R474 PolarHBondContact O-NH1 2.77Å; S470-R474 PolarHBondContact O-N 2.8Å; S470-R474 PolarHBondContact O-NH1 2.97Å; Q471-R474 PolarHBondContact O-N 2.73Å; R474-Y477 PolarHBondContact O-N 3.18Å; R474-E478 WeakPolarHBondContact O-CB 3.23Å; R474-E478 VanDerWaalsContact O-CD 3.3Å; R474-E478 WeakPolarHBondContact O-CG 3.34Å; R474-E478 PolarHBondContact O-N 2.98Å; R474-Y498 HydrophobicContact CB-CE2 4.43Å; R474-Y499 WeakPolarHBondContact CD-O 3.21Å; R474-Y499 VanDerWaalsContact CZ-CZ 3.44Å; R474-Y499 PolarHBondContact NE-O 2.82Å; R474-Y499 PolarHBondContact NH1-OH 3.23Å; R474-Y499 VanDerWaalsContact NH2-CE2 3.35Å; R474-Y499 PolarHBondContact NH2-OH 2.85Å
475	V	98.8	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.6	-43.7	174.6	173.9	0	0	0	0	111.4	L225 I455 Q471 V472 C473 Y477 E478 I479	L225-V475 HydrophobicContact CD2-CG1 3.59Å; L225-V475 HydrophobicContact CD2-CG2 4.05Å; I455-V475 HydrophobicContact CD1-CB 4.4Å; I455-V475 HydrophobicContact CD1-CG1 4.2Å; I455-V475 HydrophobicContact CG2-CB 4.45Å; I455-V475 HydrophobicContact CG2-CG1 3.7Å; Q471-V475 VanDerWaalsContact O-CG2 3.28Å; Q471-V475 WeakPolarHBondContact O-CG2 3.41Å; Q471-V475 PolarHBondContact O-N 2.04Å; V472-V475 PolarHBondContact O-N 2.55Å; C473-V475 VanDerWaalsContact C-N 3.32Å; C473-V475 PolarHBondContact O-N 2.86Å; V475-Y477 VanDerWaalsContact C-N 3.32Å; V475-Y477 PolarHBondContact O-N 3.15Å; V475-E478 PolarHBondContact O-N 3.09Å; V475-I479 HydrophobicContact CG1-CD1 3.92Å; V475-I479 HydrophobicContact CG1-CG1 4.48Å; V475-I479 WeakPolarHBondContact O-CG1 3.27Å; V475-I479 PolarHBondContact O-N 3.17Å
476	A	98.8	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-42.6	176.2	0	0	0	0	0	111.7	I455 L458 S459 L464 V472 C473 I479 M480	I455-A476 HydrophobicContact CG2-CB 4.38Å; L458-A476 HydrophobicContact CB-CB 3.64Å; L458-A476 HydrophobicContact CD1-CB 4.33Å; S459-A476 WeakPolarHBondContact CB-O 3.44Å; L464-A476 HydrophobicContact CD2-CB 4.28Å; V472-A476 PolarHBondContact O-N 3.33Å; V472-A476 VanDerWaalsContact O-N 3.1Å; C473-A476 PolarHBondContact O-N 3.48Å; A476-I479 PolarHBondContact O-N 3.38Å; A476-M480 WeakPolarHBondContact O-CB 3.34Å; A476-M480 PolarHBondContact O-N 2.49Å
477	Y	98.9	Very high	97.7	Very high	2 Å²	2	17 Å²	17	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-63.1	-41.6	174.9	175.2	-114.9	0	0	0	112.5	V326 F468 C473 R474 V475 M480 Q481 S488 F491 Y498	V326-Y477 HydrophobicContact CB-CE1 4.23Å; V326-Y477 HydrophobicContact CG1-CE1 4.2Å; V326-Y477 HydrophobicContact CG2-CD1 3.93Å; V326-Y477 HydrophobicContact CG2-CE1 3.67Å; F468-Y477 HydrophobicContact CE1-CD1 4.35Å; F468-Y477 HydrophobicContact CE1-CG 4.11Å; F468-Y477 HydrophobicContact CE2-CD1 4.4Å; F468-Y477 HydrophobicContact CE2-CE1 4.44Å; F468-Y477 AromaticContact CZ-CD1 3.73Å; F468-Y477 HydrophobicContact CZ-CD1 3.73Å; F468-Y477 HydrophobicContact CZ-CD2 4.06Å; F468-Y477 HydrophobicContact CZ-CE1 4.11Å; F468-Y477 HydrophobicContact CZ-CE2 4.42Å; F468-Y477 AromaticContact CZ-CG 3.69Å; F468-Y477 HydrophobicContact CZ-CG 3.69Å; C473-Y477 WeakPolarHBondContact O-CB 3.42Å; C473-Y477 PolarHBondContact O-N 2.82Å; R474-Y477 PolarHBondContact O-N 3.18Å; V475-Y477 VanDerWaalsContact C-N 3.32Å; V475-Y477 PolarHBondContact O-N 3.15Å; Y477-M480 WeakPolarHBondContact O-CB 3.33Å; Y477-M480 PolarHBondContact O-N 2.82Å; Y477-Q481 WeakPolarHBondContact O-CG 3.42Å; Y477-Q481 PolarHBondContact O-N 2.86Å; Y477-Q481 PolarHBondContact O-NE2 3.49Å; Y477-S488 WeakPolarHBondContact OH-CA 3.08Å; Y477-S488 PolarHBondContact OH-O 3.18Å; Y477-F491 HydrophobicContact CD2-CB 4.2Å; Y477-F491 HydrophobicContact CD2-CD1 4.18Å; Y477-F491 HydrophobicContact CD2-CG 4.39Å; Y477-F491 HydrophobicContact CE2-CB 4.27Å; Y477-F491 AromaticContact CE2-CD1 3.46Å; Y477-F491 HydrophobicContact CE2-CD1 3.46Å; Y477-F491 VanDerWaalsContact CE2-CD1 3.46Å; Y477-F491 HydrophobicContact CE2-CE1 4.13Å; Y477-F491 HydrophobicContact CE2-CG 4.1Å; Y477-F491 AromaticContact CZ-CD1 3.81Å; Y477-Y498 AromaticContact CD1-CD2 3.7Å; Y477-Y498 HydrophobicContact CD1-CD2 3.7Å; Y477-Y498 HydrophobicContact CD1-CE2 4.12Å; Y477-Y498 HydrophobicContact CD1-CG 4.43Å; Y477-Y498 AromaticContact CE1-CD2 3.79Å; Y477-Y498 HydrophobicContact CE1-CD2 3.79Å; Y477-Y498 HydrophobicContact CE1-CE2 4.39Å; Y477-Y498 HydrophobicContact CE1-CG 4.06Å
478	E	98.9	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-46.9	175.1	-74.4	155.7	-175.7	0	0	111.2	H226 V326 V329 S330 V333 R474 V475 M480 Q481 Y498	H226-E478 IonicContact CD2-OE1 2.88Å; H226-E478 IonicContact CD2-OE2 3.75Å; H226-E478 IonicContact CE1-OE1 3.7Å; H226-E478 IonicContact CE1-OE2 2.97Å; H226-E478 VanDerWaalsContact NE2-CD 3.28Å; H226-E478 IonicContact NE2-OE1 3.53Å; H226-E478 PolarHBondContact NE2-OE1 3.4Å; H226-E478 IonicContact NE2-OE2 3.33Å; H226-E478 PolarHBondContact NE2-OE2 3.09Å; V326-E478 HydrophobicContact CG2-CB 4.49Å; V326-E478 HydrophobicContact CG2-CG 3.78Å; V329-E478 HydrophobicContact CG1-CG 4.16Å; S330-E478 WeakPolarHBondContact CB-O 3.45Å; V333-E478 HydrophobicContact CG2-CB 4.37Å; R474-E478 WeakPolarHBondContact O-CB 3.23Å; R474-E478 VanDerWaalsContact O-CD 3.3Å; R474-E478 WeakPolarHBondContact O-CG 3.34Å; R474-E478 PolarHBondContact O-N 2.98Å; V475-E478 PolarHBondContact O-N 3.09Å; E478-M480 VanDerWaalsContact C-N 3.29Å; E478-M480 PolarHBondContact O-N 3.06Å; E478-Q481 WeakPolarHBondContact O-CB 3.42Å; E478-Q481 PolarHBondContact O-N 3.34Å; E478-Y498 HydrophobicContact CG-CE2 4.05Å; E478-Y498 WeakPolarHBondContact OE1-CE2 3.26Å; E478-Y498 PolarHBondContact OE1-OH 2.68Å
479	I	98.8	Very high	97.8	Very high	22 Å²	22	21.4 Å²	21.4	11%	0.113	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-39.8	176.9	-65.9	167.6	0	0	0	110.7	V333 V337 I455 S459 V475 A476 Q481 T482	V333-I479 HydrophobicContact CG1-CD1 4.19Å; V333-I479 HydrophobicContact CG1-CG1 3.57Å; V337-I479 HydrophobicContact CG2-CD1 4.47Å; I455-I479 HydrophobicContact CG2-CD1 3.57Å; S459-I479 WeakPolarHBondContact OG-CG2 3.49Å; V475-I479 HydrophobicContact CG1-CD1 3.92Å; V475-I479 HydrophobicContact CG1-CG1 4.48Å; V475-I479 WeakPolarHBondContact O-CG1 3.27Å; V475-I479 PolarHBondContact O-N 3.17Å; A476-I479 PolarHBondContact O-N 3.38Å; I479-Q481 PolarHBondContact O-N 2.85Å; I479-T482 WeakPolarHBondContact O-CB 3.4Å; I479-T482 PolarHBondContact O-N 3.03Å; I479-T482 PolarHBondContact O-OG1 3.18Å
480	M	98.8	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.5	-34	177.4	-177.2	-176.7	-75.3	0	0	112.5	T461 L464 A476 Y477 E478 T482 L483 A487	T461-M480 WeakPolarHBondContact O-CE 3.23Å; L464-M480 HydrophobicContact CB-CE 3.97Å; A476-M480 WeakPolarHBondContact O-CB 3.34Å; A476-M480 PolarHBondContact O-N 2.49Å; Y477-M480 WeakPolarHBondContact O-CB 3.33Å; Y477-M480 PolarHBondContact O-N 2.82Å; E478-M480 VanDerWaalsContact C-N 3.29Å; E478-M480 PolarHBondContact O-N 3.06Å; M480-T482 PolarHBondContact O-N 2.97Å; M480-L483 PolarHBondContact O-N 3.44Å; M480-A487 HydrophobicContact CG-CB 3.82Å; M480-A487 HydrophobicContact SD-CB 4.2Å
481	Q	98.7	Very high	98.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.2	176.9	-50.2	-45.2	-56.1	0	0	113.7	H321 V326 Y477 E478 I479 A487 S488	H321-Q481 PolarHBondContact CE1-OE1 3.34Å; H321-Q481 PolarHBondContact NE2-OE1 3.08Å; H321-Q481 VanDerWaalsContact NE2-OE1 3.14Å; V326-Q481 HydrophobicContact CG1-CG 3.97Å; V326-Q481 HydrophobicContact CG2-CG 3.84Å; Y477-Q481 WeakPolarHBondContact O-CG 3.42Å; Y477-Q481 PolarHBondContact O-N 2.86Å; Y477-Q481 PolarHBondContact O-NE2 3.49Å; E478-Q481 WeakPolarHBondContact O-CB 3.42Å; E478-Q481 PolarHBondContact O-N 3.34Å; I479-Q481 PolarHBondContact O-N 2.85Å; Q481-A487 PolarHBondContact NE2-O 3.36Å; Q481-A487 PolarHBondContact OE1-O 2.94Å; Q481-S488 VanDerWaalsContact OE1-N 3.08Å
482	T	98.1	Very high	98.3	Very high	35 Å²	35	26.2 Å²	26.2	22%	0.215	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.7	179.3	76.2	0	0	0	0	113	K334 I479 M480	K334-T482 HydrophobicContact CB-CG2 4.06Å; K334-T482 HydrophobicContact CD-CG2 4.17Å; K334-T482 HydrophobicContact CG-CG2 4.46Å; I479-T482 WeakPolarHBondContact O-CB 3.4Å; I479-T482 PolarHBondContact O-N 3.03Å; I479-T482 PolarHBondContact O-OG1 3.18Å; M480-T482 PolarHBondContact O-N 2.97Å
483	L	97.8	Very high	98.3	Very high	69 Å²	69	25.2 Å²	25.2	36%	0.361	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-19.5	-175.4	-55	177.3	0	0	0	112.4	S459 Q460 M480	S459-L483 VanDerWaalsContact O-CD1 3.27Å; S459-L483 WeakPolarHBondContact O-CD1 3.32Å; Q460-L483 HydrophobicContact CG-CD1 4.39Å; Q460-L483 VanDerWaalsContact NE2-CD1 3.31Å; M480-L483 PolarHBondContact O-N 3.44Å
484	H	97.1	Very high	98.3	Very high	55 Å²	55	26.3 Å²	26.3	26%	0.255	14%	0.138	S	C	.	.	S	Bend	trans	-128.3	158.4	-179.7	-56.8	-76.8	0	0	0	111.2	D486 A487	H484-D486 VanDerWaalsContact C-N 3.32Å; H484-D486 PolarHBondContact O-N 2.92Å; H484-A487 HydrophobicContact CB-CB 3.9Å
485	P	97.4	Very high	98	Very high	38 Å²	38	27.8 Å²	27.8	25%	0.247	15%	0.147	C	C	.	.	S	Bend	trans	-63.6	-37.9	176.8	-22	33.7	0	0	0	113.6	R181 A185 H321	R181-P485 HydrophobicContact CB-CB 3.95Å; A185-P485 HydrophobicContact CB-CB 4.03Å; H321-P485 PolarHBondContact CD2-O 3.01Å
486	D	98.3	Very high	97.9	Very high	45 Å²	45	30.5 Å²	30.5	24%	0.241	16%	0.161	C	C	.	.			trans	-153	104	173.7	-175.8	-0.3	0	0	0	108.3	H321 G322 H484 S488	H321-D486 IonicContact CD2-OD1 3.92Å; H321-D486 IonicContact CE1-OD1 3.49Å; H321-D486 IonicContact CG-OD1 2.78Å; H321-D486 IonicContact ND1-OD1 3.14Å; H321-D486 IonicContact NE2-OD1 2.98Å; G322-D486 PolarHBondContact N-OD1 3.31Å; G322-D486 PolarHBondContact N-OD2 3.44Å; H484-D486 VanDerWaalsContact C-N 3.32Å; H484-D486 PolarHBondContact O-N 2.92Å; D486-S488 WeakPolarHBondContact OD1-CB 3.42Å; D486-S488 PolarHBondContact OD1-N 2.85Å; D486-S488 PolarHBondContact OD1-OG 3.18Å
487	A	98.3	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.			trans	-109.2	20	174	0	0	0	0	0	111.3	M480 Q481 H484 S489 Y490	M480-A487 HydrophobicContact CG-CB 3.82Å; M480-A487 HydrophobicContact SD-CB 4.2Å; Q481-A487 PolarHBondContact NE2-O 3.36Å; Q481-A487 PolarHBondContact OE1-O 2.94Å; H484-A487 HydrophobicContact CB-CB 3.9Å; A487-S489 PolarHBondContact O-N 3.38Å; A487-S489 VanDerWaalsContact O-N 3.17Å; A487-Y490 HydrophobicContact CB-CD2 3.78Å; A487-Y490 HydrophobicContact CB-CE2 4.4Å; A487-Y490 HydrophobicContact CB-CG 3.99Å; A487-Y490 PolarHBondContact O-N 3.15Å
488	S	98.4	Very high	97.8	Very high	14 Å²	14	32.4 Å²	32.4	10%	0.098	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.6	-175.7	57.8	0	0	0	0	112.1	G322 Y477 Q481 D486 F491	G322-S488 VanDerWaalsContact CA-OG 3.32Å; G322-S488 WeakPolarHBondContact CA-OG 3.46Å; G322-S488 PolarHBondContact N-OG 3.36Å; Y477-S488 WeakPolarHBondContact OH-CA 3.08Å; Y477-S488 PolarHBondContact OH-O 3.18Å; Q481-S488 VanDerWaalsContact OE1-N 3.08Å; D486-S488 WeakPolarHBondContact OD1-CB 3.42Å; D486-S488 PolarHBondContact OD1-N 2.85Å; D486-S488 PolarHBondContact OD1-OG 3.18Å; S488-F491 VanDerWaalsContact O-CD1 3.32Å; S488-F491 WeakPolarHBondContact O-CD1 3.04Å; S488-F491 WeakPolarHBondContact O-CE1 3.18Å
489	S	97.9	Very high	97.8	Very high	81 Å²	81	35.4 Å²	35.4	57%	0.566	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	9	177.8	74.4	0	0	0	0	114.4	F463 A487 F491	F463-S489 WeakPolarHBondContact CE2-O 2.95Å; A487-S489 PolarHBondContact O-N 3.38Å; A487-S489 VanDerWaalsContact O-N 3.17Å; S489-F491 PolarHBondContact O-N 3.5Å; S489-F491 VanDerWaalsContact O-N 3.09Å
490	Y	98.3	Very high	97.8	Very high	66 Å²	66	34.6 Å²	34.6	26%	0.259	18%	0.177	S	C	.	.	S	Bend	trans	-88.1	41	-173.4	-72	11.8	0	0	0	112.3	F463 L464 A487	F463-Y490 VanDerWaalsContact CD2-C 3.41Å; F463-Y490 VanDerWaalsContact CE2-C 3.46Å; L464-Y490 PolarHBondContact N-O 3.37Å; A487-Y490 HydrophobicContact CB-CD2 3.78Å; A487-Y490 HydrophobicContact CB-CE2 4.4Å; A487-Y490 HydrophobicContact CB-CG 3.99Å; A487-Y490 PolarHBondContact O-N 3.15Å
491	F	98.6	Very high	97.7	Very high	39 Å²	39	36.1 Å²	36.1	17%	0.171	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	161.2	179	78.5	-82.9	0	0	0	112.4	F463 L464 F468 Y477 S488 S489 W537	F463-F491 VanDerWaalsContact CE2-N 3.33Å; F463-F491 WeakPolarHBondContact CZ-O 3.03Å; L464-F491 HydrophobicContact CB-CB 4.35Å; L464-F491 CarbonylContact O-C 3.08Å; L464-F491 WeakPolarHBondContact O-CA 3.43Å; L464-F491 WeakPolarHBondContact O-CB 3.39Å; F468-F491 HydrophobicContact CD2-CD2 4.21Å; F468-F491 AromaticContact CD2-CE2 3.93Å; F468-F491 HydrophobicContact CD2-CE2 3.93Å; F468-F491 HydrophobicContact CE1-CD2 4.19Å; F468-F491 HydrophobicContact CE1-CG 4.49Å; F468-F491 HydrophobicContact CE2-CD1 4.31Å; F468-F491 AromaticContact CE2-CD2 3.34Å; F468-F491 HydrophobicContact CE2-CD2 3.34Å; F468-F491 HydrophobicContact CE2-CE1 4.18Å; F468-F491 AromaticContact CE2-CE2 3.21Å; F468-F491 HydrophobicContact CE2-CE2 3.21Å; F468-F491 AromaticContact CE2-CG 3.93Å; F468-F491 HydrophobicContact CE2-CG 3.93Å; F468-F491 AromaticContact CE2-CZ 3.66Å; F468-F491 HydrophobicContact CE2-CZ 3.66Å; F468-F491 HydrophobicContact CZ-CB 4.07Å; F468-F491 HydrophobicContact CZ-CD1 4.12Å; F468-F491 AromaticContact CZ-CD2 3.33Å; F468-F491 HydrophobicContact CZ-CD2 3.33Å; F468-F491 HydrophobicContact CZ-CE1 4.43Å; F468-F491 AromaticContact CZ-CE2 3.74Å; F468-F491 HydrophobicContact CZ-CE2 3.74Å; F468-F491 AromaticContact CZ-CG 3.55Å; F468-F491 HydrophobicContact CZ-CG 3.55Å; F468-F491 HydrophobicContact CZ-CZ 4.27Å; Y477-F491 HydrophobicContact CD2-CB 4.2Å; Y477-F491 HydrophobicContact CD2-CD1 4.18Å; Y477-F491 HydrophobicContact CD2-CG 4.39Å; Y477-F491 HydrophobicContact CE2-CB 4.27Å; Y477-F491 AromaticContact CE2-CD1 3.46Å; Y477-F491 HydrophobicContact CE2-CD1 3.46Å; Y477-F491 VanDerWaalsContact CE2-CD1 3.46Å; Y477-F491 HydrophobicContact CE2-CE1 4.13Å; Y477-F491 HydrophobicContact CE2-CG 4.1Å; Y477-F491 AromaticContact CZ-CD1 3.81Å; S488-F491 VanDerWaalsContact O-CD1 3.32Å; S488-F491 WeakPolarHBondContact O-CD1 3.04Å; S488-F491 WeakPolarHBondContact O-CE1 3.18Å; S489-F491 PolarHBondContact O-N 3.5Å; S489-F491 VanDerWaalsContact O-N 3.09Å; F491-W537 HydrophobicContact CE2-CH2 4.32Å
492	Y	98.6	Very high	97.5	Very high	58 Å²	58	37.7 Å²	37.7	23%	0.227	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.9	158.3	-166.7	-79	0	0	0	108.9	H386 L464 V465 C466 L494 W537	H386-Y492 HydrophobicContact CB-CD1 4.28Å; H386-Y492 HydrophobicContact CB-CG 4.19Å; H386-Y492 AromaticContact CD2-CD1 3.44Å; H386-Y492 VanDerWaalsContact CD2-CD1 3.44Å; H386-Y492 WeakPolarHBondContact CD2-CD1 3.41Å; H386-Y492 AromaticContact CD2-CE1 3.37Å; H386-Y492 WeakPolarHBondContact CD2-CE1 3.44Å; H386-Y492 AromaticContact CD2-CZ 3.97Å; H386-Y492 AromaticContact CE1-CE1 3.41Å; H386-Y492 VanDerWaalsContact CE1-CE1 3.41Å; H386-Y492 WeakPolarHBondContact CE1-CE1 3.41Å; H386-Y492 AromaticContact CE1-CE2 3.62Å; H386-Y492 AromaticContact CE1-CZ 3.16Å; H386-Y492 PolarHBondContact CE1-OH 3Å; H386-Y492 VanDerWaalsContact CE1-OH 3.28Å; H386-Y492 AromaticContact CG-CD1 3.63Å; H386-Y492 AromaticContact CG-CE1 3.82Å; H386-Y492 AromaticContact CG-CG 3.82Å; H386-Y492 AromaticContact ND1-CD2 3.92Å; H386-Y492 AromaticContact ND1-CE1 3.86Å; H386-Y492 AromaticContact ND1-CE2 3.73Å; H386-Y492 AromaticContact ND1-CZ 3.69Å; H386-Y492 AromaticContact NE2-CD1 3.73Å; H386-Y492 AromaticContact NE2-CE1 3.11Å; H386-Y492 WeakPolarHBondContact NE2-CE1 3.02Å; H386-Y492 AromaticContact NE2-CZ 3.37Å; L464-Y492 PolarHBondContact O-N 3.41Å; V465-Y492 WeakPolarHBondContact CA-O 3.13Å; C466-Y492 PolarHBondContact N-O 3.19Å; Y492-L494 HydrophobicContact CD1-CD2 4.1Å; Y492-L494 HydrophobicContact CE1-CD2 3.99Å; Y492-W537 VanDerWaalsContact OH-CB 3.32Å; Y492-W537 WeakPolarHBondContact OH-CB 3.09Å
493	S	98	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.8	175.9	-179.2	0	0	0	0	109.4	C466 F468 D495 D496 W537	C466-S493 CarbonylContact O-C 3.56Å; C466-S493 VanDerWaalsContact O-CA 3.28Å; C466-S493 WeakPolarHBondContact O-CA 3.42Å; F468-S493 WeakPolarHBondContact CB-OG 3.28Å; F468-S493 PolarHBondContact N-OG 2.64Å; F468-S493 VanDerWaalsContact N-OG 3.08Å; S493-D495 VanDerWaalsContact C-N 3.26Å; S493-D495 PolarHBondContact OG-N 3.49Å; S493-D495 PolarHBondContact OG-OD1 3.22Å; S493-D496 WeakPolarHBondContact CB-O 3.33Å; S493-D496 PolarHBondContact OG-O 3.14Å; S493-W537 PolarHBondContact O-NE1 3.31Å
494	L	96.7	Very high	97.3	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.126	21%	0.207	C	C	.	.	S	Bend	trans	-76.9	-13.2	175.7	-59.9	-174.4	0	0	0	113.2	H378 E382 Y383 C466 T467 Y492	H378-L494 HydrophobicContact CB-CD1 3.88Å; E382-L494 HydrophobicContact CB-CD1 4.04Å; Y383-L494 HydrophobicContact CD1-CD1 3.74Å; Y383-L494 HydrophobicContact CD1-CG 4.4Å; Y383-L494 HydrophobicContact CD2-CD1 3.74Å; Y383-L494 HydrophobicContact CE1-CD1 3.55Å; Y383-L494 HydrophobicContact CE1-CG 4.3Å; Y383-L494 HydrophobicContact CE2-CD1 3.56Å; Y383-L494 HydrophobicContact CG-CD1 3.82Å; Y383-L494 VanDerWaalsContact CZ-CD1 3.45Å; C466-L494 PolarHBondContact O-N 2.84Å; T467-L494 HydrophobicContact CG2-CB 4.08Å; Y492-L494 HydrophobicContact CD1-CD2 4.1Å; Y492-L494 HydrophobicContact CE1-CD2 3.99Å
495	D	93.8	Very high	97.3	Very high	35 Å²	35	37.7 Å²	37.7	19%	0.187	22%	0.218	C	C	.	.	S	Bend	trans	-133.3	-99.7	-176	57.5	7.7	0	0	0	112.6	T467 F468 S469 S493 W537	T467-D495 VanDerWaalsContact C-OD1 3.31Å; T467-D495 WeakPolarHBondContact CA-OD1 3.37Å; T467-D495 WeakPolarHBondContact CB-OD1 3.29Å; T467-D495 VanDerWaalsContact CB-OD2 3.23Å; T467-D495 WeakPolarHBondContact CB-OD2 3.33Å; T467-D495 WeakPolarHBondContact CG2-OD2 3.07Å; F468-D495 PolarHBondContact N-OD1 2.84Å; S469-D495 WeakPolarHBondContact CB-OD2 3.24Å; S469-D495 PolarHBondContact N-OD1 3.41Å; S469-D495 PolarHBondContact OG-OD2 2.9Å; S493-D495 VanDerWaalsContact C-N 3.26Å; S493-D495 PolarHBondContact OG-N 3.49Å; S493-D495 PolarHBondContact OG-OD1 3.22Å; D495-W537 PolarHBondContact O-NE1 2.75Å
496	D	95.9	Very high	97.3	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-70.7	155	-171.6	-72.5	-41.5	0	0	0	111.8	F468 S469 S493 Y499	F468-D496 HydrophobicContact CB-CB 4.13Å; F468-D496 WeakPolarHBondContact CB-O 3.34Å; S469-D496 WeakPolarHBondContact CA-OD2 3.29Å; S469-D496 WeakPolarHBondContact CB-OD2 3.32Å; S493-D496 WeakPolarHBondContact CB-O 3.33Å; S493-D496 PolarHBondContact OG-O 3.14Å; D496-Y499 HydrophobicContact CB-CD1 4.15Å; D496-Y499 HydrophobicContact CB-CE1 4.01Å; D496-Y499 WeakPolarHBondContact OD2-CE1 3.22Å
497	I	97.2	Very high	97.3	Very high	30 Å²	30	36.1 Å²	36.1	15%	0.154	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-71.8	170.2	158.1	60.2	175.1	0	0	0	109.8	Y499 V532 N535 W537	I497-Y499 PolarHBondContact O-N 3.24Å; I497-V532 HydrophobicContact CD1-CG1 4.01Å; I497-V532 HydrophobicContact CD1-CG2 3.97Å; I497-N535 HydrophobicContact CG2-CB 3.56Å; I497-W537 HydrophobicContact CG2-CH2 4.01Å; I497-W537 HydrophobicContact CG2-CZ2 4.03Å
498	Y	98.4	Very high	97.4	Very high	11 Å²	11	36.9 Å²	36.9	4%	0.043	21%	0.209	C	C	.	.	S	Bend	trans	-60.2	134.4	174.6	176.1	-101.7	0	0	0	110.4	L307 V326 R474 Y477 E478	L307-Y498 HydrophobicContact CD2-CD1 4.48Å; L307-Y498 HydrophobicContact CD2-CE1 4.1Å; V326-Y498 HydrophobicContact CB-CD1 4.24Å; V326-Y498 HydrophobicContact CB-CE1 3.85Å; V326-Y498 HydrophobicContact CG2-CD2 4.47Å; V326-Y498 HydrophobicContact CG2-CE1 4.13Å; V326-Y498 HydrophobicContact CG2-CE2 3.96Å; R474-Y498 HydrophobicContact CB-CE2 4.43Å; Y477-Y498 AromaticContact CD1-CD2 3.7Å; Y477-Y498 HydrophobicContact CD1-CD2 3.7Å; Y477-Y498 HydrophobicContact CD1-CE2 4.12Å; Y477-Y498 HydrophobicContact CD1-CG 4.43Å; Y477-Y498 AromaticContact CE1-CD2 3.79Å; Y477-Y498 HydrophobicContact CE1-CD2 3.79Å; Y477-Y498 HydrophobicContact CE1-CE2 4.39Å; Y477-Y498 HydrophobicContact CE1-CG 4.06Å; E478-Y498 HydrophobicContact CG-CE2 4.05Å; E478-Y498 WeakPolarHBondContact OE1-CE2 3.26Å; E478-Y498 PolarHBondContact OE1-OH 2.68Å
499	Y	98.3	Very high	97.4	Very high	64 Å²	64	38.3 Å²	38.3	25%	0.251	22%	0.215	S	C	.	.			trans	-150.2	154.7	171.9	74.2	-85.7	0	0	0	111.2	F468 R474 D496 I497	F468-Y499 WeakPolarHBondContact O-CE1 3.26Å; R474-Y499 WeakPolarHBondContact CD-O 3.21Å; R474-Y499 VanDerWaalsContact CZ-CZ 3.44Å; R474-Y499 PolarHBondContact NE-O 2.82Å; R474-Y499 PolarHBondContact NH1-OH 3.23Å; R474-Y499 VanDerWaalsContact NH2-CE2 3.35Å; R474-Y499 PolarHBondContact NH2-OH 2.85Å; D496-Y499 HydrophobicContact CB-CD1 4.15Å; D496-Y499 HydrophobicContact CB-CE1 4.01Å; D496-Y499 WeakPolarHBondContact OD2-CE1 3.22Å; I497-Y499 PolarHBondContact O-N 3.24Å
500	F	98.3	Very high	97.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	19%	0.189	C	C	.	.			trans	-109.3	128.9	171.4	-169.9	-82.8	0	0	0	109.9	H226 V229 P306 V329 G502 Q503	H226-F500 HydrophobicContact CB-CE2 4.04Å; H226-F500 HydrophobicContact CB-CZ 4.05Å; H226-F500 AromaticContact CD2-CE2 3.74Å; H226-F500 AromaticContact CG-CE2 3.99Å; H226-F500 VanDerWaalsContact O-CZ 3.29Å; H226-F500 WeakPolarHBondContact O-CZ 3.32Å; V229-F500 HydrophobicContact CB-CE2 4.34Å; V229-F500 HydrophobicContact CB-CZ 4.35Å; V229-F500 HydrophobicContact CG1-CE2 3.93Å; V229-F500 HydrophobicContact CG1-CZ 4.14Å; P306-F500 HydrophobicContact CB-CB 3.87Å; P306-F500 HydrophobicContact CB-CD1 4.23Å; P306-F500 HydrophobicContact CB-CG 4.07Å; P306-F500 HydrophobicContact CG-CB 4.12Å; P306-F500 HydrophobicContact CG-CD1 3.71Å; P306-F500 HydrophobicContact CG-CD2 4.23Å; P306-F500 HydrophobicContact CG-CE1 4.13Å; P306-F500 HydrophobicContact CG-CG 3.75Å; V329-F500 HydrophobicContact CG1-CD2 3.99Å; V329-F500 HydrophobicContact CG1-CE2 4.01Å; V329-F500 HydrophobicContact CG2-CD2 4.31Å; F500-G502 PolarHBondContact O-N 3.47Å; F500-Q503 HydrophobicContact CB-CB 4.38Å; F500-Q503 WeakPolarHBondContact O-CB 3.29Å; F500-Q503 WeakPolarHBondContact O-CG 3.35Å; F500-Q503 PolarHBondContact O-N 3.26Å; F500-Q503 PolarHBondContact O-OE1 2.86Å
501	G	96.9	Very high	97.4	Very high	33 Å²	33	34.4 Å²	34.4	34%	0.34	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	121.3	-177.2	0	0	0	0	0	111.9
502	G	94.8	Very high	97.4	Very high	33 Å²	33	38.6 Å²	38.6	34%	0.34	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	16.2	-176.3	0	0	0	0	0	114.5	R301 F500	R301-G502 PolarHBondContact NH1-O 3.25Å; R301-G502 PolarHBondContact NH2-O 2.77Å; F500-G502 PolarHBondContact O-N 3.47Å
503	Q	96.9	Very high	97.4	Very high	41 Å²	41	39.8 Å²	39.8	19%	0.192	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-58.6	161.3	170.2	64.9	-178.4	46.8	0	0	113.2	P306 L307 F500	P306-Q503 HydrophobicContact CB-CB 4.26Å; P306-Q503 CarbonylContact O-C 3.58Å; P306-Q503 VanDerWaalsContact O-CA 3.25Å; P306-Q503 WeakPolarHBondContact O-CA 3.43Å; P306-Q503 VanDerWaalsContact O-CB 3.31Å; P306-Q503 WeakPolarHBondContact O-CB 3.38Å; L307-Q503 HydrophobicContact CG-CB 4.43Å; F500-Q503 HydrophobicContact CB-CB 4.38Å; F500-Q503 WeakPolarHBondContact O-CB 3.29Å; F500-Q503 WeakPolarHBondContact O-CG 3.35Å; F500-Q503 PolarHBondContact O-N 3.26Å; F500-Q503 PolarHBondContact O-OE1 2.86Å
504	N	96.1	Very high	97.4	Very high	61 Å²	61	40.2 Å²	40.2	33%	0.326	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-69.5	167.5	163.9	-67.7	-29.4	0	0	0	110.7	R301 P306 H506	R301-N504 PolarHBondContact NH2-OD1 2.98Å; R301-N504 VanDerWaalsContact NH2-OD1 3.13Å; P306-N504 PolarHBondContact O-N 3.07Å; N504-H506 PolarHBondContact O-N 2.83Å
505	A	96.5	Very high	97.4	Very high	58 Å²	58	47.3 Å²	47.3	48%	0.479	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-54.7	122.3	-177.4	0	0	0	0	0	112.5	N507	A505-N507 PolarHBondContact O-N 2.88Å; A505-N507 PolarHBondContact O-ND2 3.35Å
506	H	98.1	Very high	97.5	Very high	34 Å²	34	48.1 Å²	48.1	16%	0.157	26%	0.264	C	S	.	.			trans	-75.8	115	172.4	-167.8	166.7	0	0	0	109	L307 N504 G531 V532 E561	L307-H506 HydrophobicContact CD1-CB 3.98Å; N504-H506 PolarHBondContact O-N 2.83Å; H506-G531 WeakPolarHBondContact O-CA 3.41Å; H506-V532 HydrophobicContact CB-CG1 3.86Å; H506-V532 PolarHBondContact O-N 3.31Å; H506-E561 IonicContact CD2-OE2 3.94Å; H506-E561 IonicContact CE1-OE2 3.83Å; H506-E561 IonicContact NE2-OE1 2.81Å; H506-E561 IonicContact NE2-OE2 3.53Å; H506-E561 PolarHBondContact NE2-OE2 3.23Å
507	N	98.3	Very high	97.4	Very high	16 Å²	16	55.3 Å²	55.3	9%	0.086	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.7	-177.8	-64.1	-50.6	0	0	0	111.6	A505 V529 I530 R546 K562	A505-N507 PolarHBondContact O-N 2.88Å; A505-N507 PolarHBondContact O-ND2 3.35Å; N507-V529 HydrophobicContact CB-CG1 3.93Å; N507-I530 CarbonylContact C-O 3.58Å; N507-I530 VanDerWaalsContact CA-O 3.29Å; N507-I530 WeakPolarHBondContact CA-O 3.27Å; N507-R546 VanDerWaalsContact OD1-CZ 3.26Å; N507-R546 PolarHBondContact OD1-NE 2.98Å; N507-R546 PolarHBondContact OD1-NH2 3.45Å; N507-K562 HydrophobicContact CB-CB 4.08Å; N507-K562 HydrophobicContact CB-CD 3.96Å; N507-K562 WeakPolarHBondContact O-CB 3.49Å; N507-K562 PolarHBondContact O-N 2.95Å
508	Q	98.6	Very high	97.3	Very high	15 Å²	15	57.7 Å²	57.7	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	162.1	168.6	-63.8	174.5	-36.7	0	0	109	V529 I530 V532 Y554 V559 K560 E561	Q508-V529 WeakPolarHBondContact O-CA 3.28Å; Q508-I530 PolarHBondContact N-O 2.81Å; Q508-I530 PolarHBondContact O-N 2.86Å; Q508-V532 HydrophobicContact CG-CB 4.38Å; Q508-V532 HydrophobicContact CG-CG1 4.3Å; Q508-Y554 PolarHBondContact OE1-OH 2.9Å; Q508-V559 HydrophobicContact CB-CB 4.04Å; Q508-V559 HydrophobicContact CB-CG2 4.38Å; Q508-K560 CarbonylContact C-O 3.39Å; Q508-K560 VanDerWaalsContact CA-O 3.25Å; Q508-K560 WeakPolarHBondContact CA-O 3.48Å; Q508-K560 WeakPolarHBondContact CB-O 3.42Å; Q508-E561 PolarHBondContact NE2-OE1 3.3Å
509	I	98.6	Very high	97	Very high	44 Å²	44	62.7 Å²	62.7	23%	0.226	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.9	174.9	-62.5	168.1	0	0	0	108.2	I511 D528 V559 K560 K562	I509-I511 PolarHBondContact O-N 3.28Å; I509-D528 WeakPolarHBondContact CA-O 3.36Å; I509-V559 CarbonylContact O-C 3.49Å; I509-V559 VanDerWaalsContact O-CA 3.29Å; I509-V559 WeakPolarHBondContact O-CA 3.36Å; I509-K560 HydrophobicContact CB-CG 4.16Å; I509-K560 PolarHBondContact N-O 3.35Å; I509-K560 PolarHBondContact O-N 3.38Å; I509-K562 HydrophobicContact CD1-CB 4.24Å; I509-K562 HydrophobicContact CD1-CD 4.45Å; I509-K562 HydrophobicContact CD1-CG 3.99Å; I509-K562 HydrophobicContact CG1-CB 4.11Å; I509-K562 HydrophobicContact CG1-CD 4.43Å; I509-K562 HydrophobicContact CG1-CG 4.22Å
510	A	98.6	Very high	96.8	Very high	2 Å²	2	65.6 Å²	65.6	2%	0.017	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	128.2	171.1	0	0	0	0	0	110.4	L524 E525 P526 G527 D528	A510-L524 HydrophobicContact CB-CB 4.18Å; A510-L524 HydrophobicContact CB-CD1 4.5Å; A510-E525 VanDerWaalsContact CB-O 3.28Å; A510-E525 WeakPolarHBondContact CB-O 3.43Å; A510-P526 CarbonylContact O-C 3.41Å; A510-P526 WeakPolarHBondContact O-CA 3.48Å; A510-G527 PolarHBondContact O-N 3.45Å; A510-D528 HydrophobicContact CB-CB 4.16Å; A510-D528 PolarHBondContact N-O 2.7Å
511	I	98.4	Very high	96.7	Very high	63 Å²	63	65.6 Å²	65.6	32%	0.323	35%	0.353	S	S	.	.			trans	-109.7	-21.3	177.9	54.3	168.2	0	0	0	112.4	I509 K558 K560	I509-I511 PolarHBondContact O-N 3.28Å; I511-K558 WeakPolarHBondContact CG1-O 3.45Å; I511-K558 PolarHBondContact N-O 3.33Å; I511-K560 HydrophobicContact CG2-CB 4.14Å; I511-K560 HydrophobicContact CG2-CD 3.67Å; I511-K560 HydrophobicContact CG2-CG 3.67Å
512	Y	98.1	Very high	96.7	Very high	128 Å²	128	64 Å²	64	50%	0.502	34%	0.337	S	S	.	.	S	Bend	trans	-128.6	146.6	175.1	-61.9	-61.4	0	0	0	110.7	Y557 K558	Y512-Y557 HydrophobicContact CD2-CE2 4.38Å; Y512-K558 PolarHBondContact N-O 2.74Å
513	P	98.2	Very high	96.9	Very high	82 Å²	82	64 Å²	64	53%	0.532	33%	0.331	S	S	.	.			trans	-67.9	151.7	176	29	-34.4	0	0	0	111.6	L524 K558	P513-L524 CarbonylContact C-O 3.55Å; P513-L524 VanDerWaalsContact CA-O 3.22Å; P513-L524 WeakPolarHBondContact CA-O 3.43Å; P513-K558 PolarHBondContact O-NZ 3.17Å
514	H	98.2	Very high	96.9	Very high	9 Å²	9	62.3 Å²	62.3	4%	0.042	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-137.6	122.9	172	-179.1	34.9	0	0	0	110.5	D521 I522 P523 L524 P555 K558	H514-D521 IonicContact CE1-OD2 3.76Å; H514-D521 IonicContact NE2-OD2 3.64Å; H514-I522 PolarHBondContact CD2-O 3.4Å; H514-P523 VanDerWaalsContact O-CA 3.29Å; H514-P523 WeakPolarHBondContact O-CA 3.37Å; H514-L524 HydrophobicContact CB-CB 3.84Å; H514-L524 HydrophobicContact CB-CD1 4.01Å; H514-L524 HydrophobicContact CB-CG 3.9Å; H514-L524 PolarHBondContact N-O 3.35Å; H514-L524 PolarHBondContact O-N 3.4Å; H514-P555 WeakPolarHBondContact CD2-CD 3.45Å; H514-P555 WeakPolarHBondContact NE2-CD 3.42Å; H514-K558 HydrophobicContact CB-CD 3.88Å
515	Q	97.4	Very high	97	Very high	174 Å²	174	64.7 Å²	64.7	81%	0.813	33%	0.332	S	S	*	.			trans	-92.4	124.9	164.6	-68.2	-179.4	-2.4	0	0	108.6
516	P	96.1	Very high	97.1	Very high	52 Å²	52	65.8 Å²	65.8	34%	0.338	33%	0.334	S	S	.	.			trans	-53.5	134.2	175	-31.1	39.2	0	0	0	111.8	D521 P523	P516-D521 HydrophobicContact CB-CB 3.66Å; P516-D521 HydrophobicContact CG-CB 4.34Å; P516-P523 HydrophobicContact CG-CB 3.97Å; P516-P523 HydrophobicContact CG-CG 4.34Å
517	R	93.9	Very high	97.1	Very high	207 Å²	207	66.6 Å²	66.6	78%	0.781	35%	0.352	S	S	*	.	S	Bend	trans	-90.6	-24.9	173.4	-68.1	-177.9	177.9	175.4	0.9	112.6	D521	R517-D521 PolarHBondContact N-OD2 3.22Å
518	N	93.8	Very high	97.2	Very high	81 Å²	81	66.4 Å²	66.4	43%	0.433	35%	0.351	S	S	.	.	S	Bend	trans	-141.5	-177	178.7	61.3	39.6	0	0	0	109.8	E520 D521	N518-E520 VanDerWaalsContact C-N 3.26Å; N518-E520 PolarHBondContact O-N 3.06Å; N518-E520 WeakPolarHBondContact OD1-CA 3.45Å; N518-E520 WeakPolarHBondContact OD1-CB 3.45Å; N518-E520 PolarHBondContact OD1-N 3.32Å; N518-D521 PolarHBondContact OD1-N 3.37Å; N518-D521 VanDerWaalsContact OD1-N 3.09Å
519	S	93.1	Very high	97.2	Very high	116 Å²	116	67.9 Å²	67.9	81%	0.811	36%	0.361	S	S	*	.	S	Bend	trans	-73.7	-14.3	180	51.1	0	0	0	0	114.6
520	E	94.3	Very high	97.2	Very high	124 Å²	124	65.8 Å²	65.8	58%	0.579	35%	0.35	S	S	*	.	S	Bend	trans	-82.7	-26.4	179.9	-54.8	-174.4	159.5	0	0	111.7	N518 G552 L553	N518-E520 VanDerWaalsContact C-N 3.26Å; N518-E520 PolarHBondContact O-N 3.06Å; N518-E520 WeakPolarHBondContact OD1-CA 3.45Å; N518-E520 WeakPolarHBondContact OD1-CB 3.45Å; N518-E520 PolarHBondContact OD1-N 3.32Å; E520-G552 CarbonylContact O-C 3.52Å; E520-G552 WeakPolarHBondContact O-CA 3.35Å; E520-L553 HydrophobicContact CB-CD1 4.33Å; E520-L553 PolarHBondContact O-N 3.32Å
521	D	95.9	Very high	97.1	Very high	4 Å²	4	66 Å²	66	2%	0.021	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-76	149	179.1	-69.4	-7	0	0	0	113.1	H514 P516 R517 N518 L553	H514-D521 IonicContact CE1-OD2 3.76Å; H514-D521 IonicContact NE2-OD2 3.64Å; P516-D521 HydrophobicContact CB-CB 3.66Å; P516-D521 HydrophobicContact CG-CB 4.34Å; R517-D521 PolarHBondContact N-OD2 3.22Å; N518-D521 PolarHBondContact OD1-N 3.37Å; N518-D521 VanDerWaalsContact OD1-N 3.09Å; D521-L553 CarbonylContact C-O 3.5Å; D521-L553 VanDerWaalsContact CA-O 3.27Å; D521-L553 WeakPolarHBondContact CA-O 3.26Å
522	I	97.4	Very high	97.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.342	C	S	.	.			trans	-106.2	142.8	170.4	59.4	177.5	0	0	0	112.2	H514 L524 N545 R550 T551 G552 L553 Y554	H514-I522 PolarHBondContact CD2-O 3.4Å; I522-L524 HydrophobicContact CD1-CD2 4.29Å; I522-L524 HydrophobicContact CG1-CD2 4.29Å; I522-N545 HydrophobicContact CD1-CB 4.17Å; I522-R550 HydrophobicContact CG2-CB 4.23Å; I522-T551 VanDerWaalsContact CG2-C 3.48Å; I522-G552 VanDerWaalsContact CG2-N 3.34Å; I522-L553 WeakPolarHBondContact CG1-O 3.29Å; I522-L553 PolarHBondContact N-O 3.31Å; I522-Y554 HydrophobicContact CD1-CD1 3.78Å; I522-Y554 HydrophobicContact CD1-CE1 4.48Å; I522-Y554 HydrophobicContact CG1-CD1 4.18Å
523	P	97.9	Very high	97.1	Very high	34 Å²	34	61 Å²	61	22%	0.221	35%	0.346	C	S	.	.			trans	-71.8	144	173.2	29.8	-32.9	0	0	0	110.7	H514 P516 N545 L548	H514-P523 VanDerWaalsContact O-CA 3.29Å; H514-P523 WeakPolarHBondContact O-CA 3.37Å; P516-P523 HydrophobicContact CG-CB 3.97Å; P516-P523 HydrophobicContact CG-CG 4.34Å; P523-N545 PolarHBondContact O-ND2 3.44Å; P523-L548 HydrophobicContact CG-CD1 3.57Å
524	L	98.4	Very high	97	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-125.6	136.2	175	-56.4	-179.7	0	0	0	110.4	A510 P513 H514 I522 I530 Y554 K558 V559	A510-L524 HydrophobicContact CB-CB 4.18Å; A510-L524 HydrophobicContact CB-CD1 4.5Å; P513-L524 CarbonylContact C-O 3.55Å; P513-L524 VanDerWaalsContact CA-O 3.22Å; P513-L524 WeakPolarHBondContact CA-O 3.43Å; H514-L524 HydrophobicContact CB-CB 3.84Å; H514-L524 HydrophobicContact CB-CD1 4.01Å; H514-L524 HydrophobicContact CB-CG 3.9Å; H514-L524 PolarHBondContact N-O 3.35Å; H514-L524 PolarHBondContact O-N 3.4Å; I522-L524 HydrophobicContact CD1-CD2 4.29Å; I522-L524 HydrophobicContact CG1-CD2 4.29Å; L524-I530 HydrophobicContact CD2-CD1 3.43Å; L524-I530 VanDerWaalsContact CD2-CD1 3.43Å; L524-I530 HydrophobicContact CD2-CG1 3.96Å; L524-Y554 HydrophobicContact CD1-CD2 4.3Å; L524-Y554 HydrophobicContact CD1-CG 4.33Å; L524-K558 HydrophobicContact CD1-CB 4.24Å; L524-V559 HydrophobicContact CD1-CG1 4.37Å
525	E	98.3	Very high	96.9	Very high	110 Å²	110	59 Å²	59	51%	0.514	33%	0.333	S	S	.	.			trans	-114.1	143.3	163.2	-64.7	-177.9	154.3	0	0	110.1	A510 G527 D528 K547	A510-E525 VanDerWaalsContact CB-O 3.28Å; A510-E525 WeakPolarHBondContact CB-O 3.43Å; E525-G527 PolarHBondContact O-N 2.87Å; E525-D528 PolarHBondContact N-OD2 3.49Å; E525-D528 VanDerWaalsContact O-CB 3.3Å; E525-D528 WeakPolarHBondContact O-CB 3.3Å; E525-D528 VanDerWaalsContact O-CG 3.29Å; E525-D528 PolarHBondContact O-N 2.98Å; E525-K547 IonicContact OE2-NZ 2.68Å; E525-K547 PolarHBondContact OE2-NZ 2.83Å
526	P	98.6	Very high	96.8	Very high	81 Å²	81	54.9 Å²	54.9	53%	0.526	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	127.5	175.2	-26.9	35.6	0	0	0	112	A510	A510-P526 CarbonylContact O-C 3.41Å; A510-P526 WeakPolarHBondContact O-CA 3.48Å
527	G	98.1	Very high	96.8	Very high	51 Å²	51	56.1 Å²	56.1	53%	0.526	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-13.4	-175.2	0	0	0	0	0	114.9	A510 E525	A510-G527 PolarHBondContact O-N 3.45Å; E525-G527 PolarHBondContact O-N 2.87Å
528	D	98.6	Very high	96.9	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.064	30%	0.301	C	S	.	.			trans	-60.9	138.6	174.5	-74.4	-10.4	0	0	0	111.2	I509 A510 E525 I530 N545 K547	I509-D528 WeakPolarHBondContact CA-O 3.36Å; A510-D528 HydrophobicContact CB-CB 4.16Å; A510-D528 PolarHBondContact N-O 2.7Å; E525-D528 PolarHBondContact N-OD2 3.49Å; E525-D528 VanDerWaalsContact O-CB 3.3Å; E525-D528 WeakPolarHBondContact O-CB 3.3Å; E525-D528 VanDerWaalsContact O-CG 3.29Å; E525-D528 PolarHBondContact O-N 2.98Å; D528-I530 HydrophobicContact CB-CD1 4.11Å; D528-N545 PolarHBondContact OD2-ND2 3.11Å; D528-K547 WeakPolarHBondContact OD1-CD 3.37Å; D528-K547 IonicContact OD1-NZ 3.42Å; D528-K547 PolarHBondContact OD1-NZ 3.22Å
529	V	98.6	Very high	97.1	Very high	46 Å²	46	49.4 Å²	49.4	28%	0.279	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121	175.9	-177.1	0	0	0	0	109.4	N507 Q508 R546	N507-V529 HydrophobicContact CB-CG1 3.93Å; Q508-V529 WeakPolarHBondContact O-CA 3.28Å; V529-R546 WeakPolarHBondContact O-CB 3.33Å; V529-R546 WeakPolarHBondContact O-CG 3.25Å; V529-R546 PolarHBondContact O-N 3.39Å
530	I	98.6	Very high	97.3	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.7	-177.6	-47.7	-53.8	0	0	0	108.9	N507 Q508 L524 D528 V532 I544 N545 Y554 V559	N507-I530 CarbonylContact C-O 3.58Å; N507-I530 VanDerWaalsContact CA-O 3.29Å; N507-I530 WeakPolarHBondContact CA-O 3.27Å; Q508-I530 PolarHBondContact N-O 2.81Å; Q508-I530 PolarHBondContact O-N 2.86Å; L524-I530 HydrophobicContact CD2-CD1 3.43Å; L524-I530 VanDerWaalsContact CD2-CD1 3.43Å; L524-I530 HydrophobicContact CD2-CG1 3.96Å; D528-I530 HydrophobicContact CB-CD1 4.11Å; I530-V532 PolarHBondContact O-N 3.25Å; I530-I544 CarbonylContact C-O 3.48Å; I530-I544 WeakPolarHBondContact CA-O 3.42Å; I530-N545 HydrophobicContact CD1-CB 3.79Å; I530-Y554 HydrophobicContact CG2-CD1 4.29Å; I530-Y554 HydrophobicContact CG2-CE1 3.61Å; I530-Y554 HydrophobicContact CG2-CE2 4.46Å; I530-V559 HydrophobicContact CG1-CG1 4.38Å
531	G	98.4	Very high	97.5	Very high	6 Å²	6	41.2 Å²	41.2	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	104.4	168.7	0	0	0	0	0	109	H506 G543 I544	H506-G531 WeakPolarHBondContact O-CA 3.41Å; G531-G543 CarbonylContact O-C 3.57Å; G531-G543 WeakPolarHBondContact O-CA 3.24Å; G531-I544 PolarHBondContact N-O 3.43Å; G531-I544 PolarHBondContact O-N 2.97Å
532	V	98.1	Very high	97.6	Very high	18 Å²	18	45.8 Å²	45.8	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	138	-178.6	62	0	0	0	0	110.1	I497 H506 Q508 I530 Y554	I497-V532 HydrophobicContact CD1-CG1 4.01Å; I497-V532 HydrophobicContact CD1-CG2 3.97Å; H506-V532 HydrophobicContact CB-CG1 3.86Å; H506-V532 PolarHBondContact O-N 3.31Å; Q508-V532 HydrophobicContact CG-CB 4.38Å; Q508-V532 HydrophobicContact CG-CG1 4.3Å; I530-V532 PolarHBondContact O-N 3.25Å; V532-Y554 WeakPolarHBondContact CG2-OH 3.4Å
533	A	96.6	Very high	97.6	Very high	70 Å²	70	45.9 Å²	45.9	58%	0.579	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	-35.7	172.4	0	0	0	0	0	111.5	K542	A533-K542 WeakPolarHBondContact CB-O 3.48Å; A533-K542 PolarHBondContact N-O 2.97Å
534	G	96.1	Very high	97.6	Very high	10 Å²	10	46.9 Å²	46.9	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	170.9	178.3	0	0	0	0	0	113	S541 K542	G534-S541 WeakPolarHBondContact O-CA 3.4Å; G534-S541 WeakPolarHBondContact O-CB 3.36Å; G534-K542 PolarHBondContact N-O 3.13Å; G534-K542 PolarHBondContact O-N 2.92Å
535	N	96.9	Very high	97.6	Very high	37 Å²	37	46.6 Å²	46.6	20%	0.198	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.8	173.5	-169.3	-23.8	0	0	0	108.2	I497 W537 Y540	I497-N535 HydrophobicContact CG2-CB 3.56Å; N535-W537 VanDerWaalsContact C-N 3.3Å; N535-W537 HydrophobicContact CB-CD2 4.18Å; N535-W537 HydrophobicContact CB-CE3 4.13Å; N535-W537 HydrophobicContact CB-CH2 4.07Å; N535-W537 HydrophobicContact CB-CZ2 4.09Å; N535-W537 HydrophobicContact CB-CZ3 4.08Å; N535-W537 PolarHBondContact O-NE1 2.59Å; N535-W537 PolarHBondContact OD1-N 3.07Å; N535-Y540 PolarHBondContact OD1-O 3.36Å
536	H	95.9	Very high	97.6	Very high	89 Å²	89	47 Å²	47	41%	0.412	27%	0.267	S	S	.	.			trans	-87.6	-4.3	178.5	-69.7	-170.9	0	0	0	112.8	D538 Y540 L553	H536-D538 WeakPolarHBondContact CB-OD1 3.42Å; H536-D538 PolarHBondContact O-N 3.26Å; H536-Y540 PolarHBondContact N-O 3.46Å; H536-L553 VanDerWaalsContact CE1-CD2 3.44Å; H536-L553 WeakPolarHBondContact CE1-CD2 3.46Å
537	W	95.7	Very high	97.6	Very high	78 Å²	78	49.2 Å²	49.2	30%	0.295	27%	0.269	S	S	.	.	S	Bend	trans	62	22.3	179.6	-41.7	107.8	0	0	0	113.9	F491 Y492 S493 D495 I497 N535	F491-W537 HydrophobicContact CE2-CH2 4.32Å; Y492-W537 VanDerWaalsContact OH-CB 3.32Å; Y492-W537 WeakPolarHBondContact OH-CB 3.09Å; S493-W537 PolarHBondContact O-NE1 3.31Å; D495-W537 PolarHBondContact O-NE1 2.75Å; I497-W537 HydrophobicContact CG2-CH2 4.01Å; I497-W537 HydrophobicContact CG2-CZ2 4.03Å; N535-W537 VanDerWaalsContact C-N 3.3Å; N535-W537 HydrophobicContact CB-CD2 4.18Å; N535-W537 HydrophobicContact CB-CE3 4.13Å; N535-W537 HydrophobicContact CB-CH2 4.07Å; N535-W537 HydrophobicContact CB-CZ2 4.09Å; N535-W537 HydrophobicContact CB-CZ3 4.08Å; N535-W537 PolarHBondContact O-NE1 2.59Å; N535-W537 PolarHBondContact OD1-N 3.07Å
538	D	96.2	Very high	97.5	Very high	104 Å²	104	50.9 Å²	50.9	56%	0.556	27%	0.265	S	S	*	.	S	Bend	trans	-117.8	8.6	178.3	65.1	3.9	0	0	0	112.8	H536 Y540	H536-D538 WeakPolarHBondContact CB-OD1 3.42Å; H536-D538 PolarHBondContact O-N 3.26Å; D538-Y540 WeakPolarHBondContact OD1-CB 3.26Å; D538-Y540 PolarHBondContact OD1-N 3.38Å
539	G	96.8	Very high	97.4	Very high	43 Å²	43	52.8 Å²	52.8	44%	0.443	29%	0.288	S	S	.	.	S	Bend	trans	97	-5.2	-174	0	0	0	0	0	114.5	P555 S556	G539-P555 WeakPolarHBondContact O-CA 3.32Å; G539-S556 PolarHBondContact O-N 3.46Å; G539-S556 PolarHBondContact O-OG 2.82Å
540	Y	97.9	Very high	97.3	Very high	64 Å²	64	56.4 Å²	56.4	25%	0.251	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.4	174.2	-68.4	-102	0	0	0	112.4	N535 H536 D538 L553 Y554 P555	N535-Y540 PolarHBondContact OD1-O 3.36Å; H536-Y540 PolarHBondContact N-O 3.46Å; D538-Y540 WeakPolarHBondContact OD1-CB 3.26Å; D538-Y540 PolarHBondContact OD1-N 3.38Å; Y540-L553 HydrophobicContact CD1-CB 4.26Å; Y540-Y554 WeakPolarHBondContact CA-O 3.49Å; Y540-P555 HydrophobicContact CD1-CG 4.33Å; Y540-P555 HydrophobicContact CE1-CG 3.87Å
541	S	98.3	Very high	97.3	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.028	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	157.5	170.4	-62.5	0	0	0	0	109.4	G534 L553 Y554 S556	G534-S541 WeakPolarHBondContact O-CA 3.4Å; G534-S541 WeakPolarHBondContact O-CB 3.36Å; S541-L553 CarbonylContact O-C 3.58Å; S541-L553 VanDerWaalsContact O-CA 3.31Å; S541-L553 WeakPolarHBondContact O-CA 3.5Å; S541-Y554 PolarHBondContact N-O 2.99Å; S541-Y554 WeakPolarHBondContact O-CD1 3.38Å; S541-Y554 PolarHBondContact O-N 3.39Å; S541-S556 PolarHBondContact N-OG 3.48Å; S541-S556 WeakPolarHBondContact OG-CB 3.49Å; S541-S556 PolarHBondContact OG-OG 2.88Å
542	K	98.1	Very high	97.2	Very high	99 Å²	99	60.9 Å²	60.9	43%	0.43	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139	174.3	-171.9	176	-178.3	177.5	0	110	A533 G534 G552 L553	A533-K542 WeakPolarHBondContact CB-O 3.48Å; A533-K542 PolarHBondContact N-O 2.97Å; G534-K542 PolarHBondContact N-O 3.13Å; G534-K542 PolarHBondContact O-N 2.92Å; K542-G552 WeakPolarHBondContact CA-O 3.26Å; K542-L553 HydrophobicContact CB-CD2 3.92Å; K542-L553 HydrophobicContact CG-CD2 4.23Å
543	G	97.9	Very high	97.2	Very high	2 Å²	2	61.3 Å²	61.3	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-175.3	178.2	0	0	0	0	0	113.3	G531 T551 G552	G531-G543 CarbonylContact O-C 3.57Å; G531-G543 WeakPolarHBondContact O-CA 3.24Å; G543-T551 VanDerWaalsContact O-CA 3.28Å; G543-T551 WeakPolarHBondContact O-CA 3.4Å; G543-G552 PolarHBondContact N-O 2.88Å; G543-G552 PolarHBondContact O-N 2.84Å
544	I	98.3	Very high	97.3	Very high	55 Å²	55	58 Å²	58	28%	0.282	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.5	179.1	-175.2	170.1	0	0	0	110.5	I530 G531 R546 R550	I530-I544 CarbonylContact C-O 3.48Å; I530-I544 WeakPolarHBondContact CA-O 3.42Å; G531-I544 PolarHBondContact N-O 3.43Å; G531-I544 PolarHBondContact O-N 2.97Å; I544-R546 PolarHBondContact O-N 3.39Å; I544-R550 CarbonylContact C-O 3.6Å; I544-R550 WeakPolarHBondContact CA-O 3.31Å
545	N	98.3	Very high	97.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	108.4	165.8	-176.2	-30.6	0	0	0	108.1	I522 P523 D528 I530 K547 L548 G549 R550	I522-N545 HydrophobicContact CD1-CB 4.17Å; P523-N545 PolarHBondContact O-ND2 3.44Å; D528-N545 PolarHBondContact OD2-ND2 3.11Å; I530-N545 HydrophobicContact CD1-CB 3.79Å; N545-K547 VanDerWaalsContact C-N 3.27Å; N545-K547 PolarHBondContact O-N 2.8Å; N545-K547 WeakPolarHBondContact OD1-CB 3.26Å; N545-K547 PolarHBondContact OD1-N 3.15Å; N545-K547 VanDerWaalsContact OD1-N 3.09Å; N545-L548 HydrophobicContact CB-CB 4.41Å; N545-L548 PolarHBondContact OD1-N 2.9Å; N545-L548 PolarHBondContact O-N 3.34Å; N545-G549 WeakPolarHBondContact O-CA 3.5Å; N545-G549 PolarHBondContact O-N 2.95Å; N545-R550 PolarHBondContact N-O 3.34Å
546	R	97.9	Very high	97.5	Very high	118 Å²	118	57.6 Å²	57.6	45%	0.445	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.7	-172.6	-64.6	-169.3	-179.3	-75.5	-6.9	113.4	N507 V529 I544	N507-R546 VanDerWaalsContact OD1-CZ 3.26Å; N507-R546 PolarHBondContact OD1-NE 2.98Å; N507-R546 PolarHBondContact OD1-NH2 3.45Å; V529-R546 WeakPolarHBondContact O-CB 3.33Å; V529-R546 WeakPolarHBondContact O-CG 3.25Å; V529-R546 PolarHBondContact O-N 3.39Å; I544-R546 PolarHBondContact O-N 3.39Å
547	K	97.5	Very high	97.6	Very high	128 Å²	128	60.9 Å²	60.9	56%	0.557	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-38.7	176.7	-179.8	-174.6	178.5	-176.3	0	111.2	E525 D528 N545	E525-K547 IonicContact OE2-NZ 2.68Å; E525-K547 PolarHBondContact OE2-NZ 2.83Å; D528-K547 WeakPolarHBondContact OD1-CD 3.37Å; D528-K547 IonicContact OD1-NZ 3.42Å; D528-K547 PolarHBondContact OD1-NZ 3.22Å; N545-K547 VanDerWaalsContact C-N 3.27Å; N545-K547 PolarHBondContact O-N 2.8Å; N545-K547 WeakPolarHBondContact OD1-CB 3.26Å; N545-K547 PolarHBondContact OD1-N 3.15Å; N545-K547 VanDerWaalsContact OD1-N 3.09Å
548	L	96.1	Very high	97.7	Very high	85 Å²	85	58.4 Å²	58.4	45%	0.445	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.1	-175	-58	179.1	0	0	0	113.7	P523 N545 R550	P523-L548 HydrophobicContact CG-CD1 3.57Å; N545-L548 HydrophobicContact CB-CB 4.41Å; N545-L548 PolarHBondContact OD1-N 2.9Å; N545-L548 PolarHBondContact O-N 3.34Å; L548-R550 HydrophobicContact CB-CB 4.41Å; L548-R550 HydrophobicContact CB-CG 4.31Å; L548-R550 PolarHBondContact O-N 3.4Å
549	G	96.8	Very high	97.8	Very high	53 Å²	53	54.2 Å²	54.2	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	19.4	-173.1	0	0	0	0	0	113.8	N545	N545-G549 WeakPolarHBondContact O-CA 3.5Å; N545-G549 PolarHBondContact O-N 2.95Å
550	R	96.6	Very high	97.9	Very high	121 Å²	121	57.6 Å²	57.6	46%	0.457	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.6	-177.7	-70.6	-172.4	65.7	-170.1	-4.7	111.4	I522 I544 N545 L548	I522-R550 HydrophobicContact CG2-CB 4.23Å; I544-R550 CarbonylContact C-O 3.6Å; I544-R550 WeakPolarHBondContact CA-O 3.31Å; N545-R550 PolarHBondContact N-O 3.34Å; L548-R550 HydrophobicContact CB-CB 4.41Å; L548-R550 HydrophobicContact CB-CG 4.31Å; L548-R550 PolarHBondContact O-N 3.4Å
551	T	98	Very high	97.9	Very high	92 Å²	92	59.1 Å²	59.1	56%	0.564	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.3	176.5	-57.1	0	0	0	0	110.5	I522 G543	I522-T551 VanDerWaalsContact CG2-C 3.48Å; G543-T551 VanDerWaalsContact O-CA 3.28Å; G543-T551 WeakPolarHBondContact O-CA 3.4Å
552	G	97.8	Very high	97.9	Very high	9 Å²	9	62.4 Å²	62.4	9%	0.093	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-161.9	176	0	0	0	0	0	111.9	E520 I522 K542 G543	E520-G552 CarbonylContact O-C 3.52Å; E520-G552 WeakPolarHBondContact O-CA 3.35Å; I522-G552 VanDerWaalsContact CG2-N 3.34Å; K542-G552 WeakPolarHBondContact CA-O 3.26Å; G543-G552 PolarHBondContact N-O 2.88Å; G543-G552 PolarHBondContact O-N 2.84Å
553	L	98.3	Very high	97.8	Very high	27 Å²	27	60.8 Å²	60.8	14%	0.141	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149.6	-176.5	-57.8	-179	0	0	0	112	E520 D521 I522 H536 Y540 S541 K542	E520-L553 HydrophobicContact CB-CD1 4.33Å; E520-L553 PolarHBondContact O-N 3.32Å; D521-L553 CarbonylContact C-O 3.5Å; D521-L553 VanDerWaalsContact CA-O 3.27Å; D521-L553 WeakPolarHBondContact CA-O 3.26Å; I522-L553 WeakPolarHBondContact CG1-O 3.29Å; I522-L553 PolarHBondContact N-O 3.31Å; H536-L553 VanDerWaalsContact CE1-CD2 3.44Å; H536-L553 WeakPolarHBondContact CE1-CD2 3.46Å; Y540-L553 HydrophobicContact CD1-CB 4.26Å; S541-L553 CarbonylContact O-C 3.58Å; S541-L553 VanDerWaalsContact O-CA 3.31Å; S541-L553 WeakPolarHBondContact O-CA 3.5Å; K542-L553 HydrophobicContact CB-CD2 3.92Å; K542-L553 HydrophobicContact CG-CD2 4.23Å
554	Y	98.2	Very high	97.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150	170.5	58.9	-85.7	0	0	0	110.9	Q508 I522 L524 I530 V532 Y540 S541 S556 V559	Q508-Y554 PolarHBondContact OE1-OH 2.9Å; I522-Y554 HydrophobicContact CD1-CD1 3.78Å; I522-Y554 HydrophobicContact CD1-CE1 4.48Å; I522-Y554 HydrophobicContact CG1-CD1 4.18Å; L524-Y554 HydrophobicContact CD1-CD2 4.3Å; L524-Y554 HydrophobicContact CD1-CG 4.33Å; I530-Y554 HydrophobicContact CG2-CD1 4.29Å; I530-Y554 HydrophobicContact CG2-CE1 3.61Å; I530-Y554 HydrophobicContact CG2-CE2 4.46Å; V532-Y554 WeakPolarHBondContact CG2-OH 3.4Å; Y540-Y554 WeakPolarHBondContact CA-O 3.49Å; S541-Y554 PolarHBondContact N-O 2.99Å; S541-Y554 WeakPolarHBondContact O-CD1 3.38Å; S541-Y554 PolarHBondContact O-N 3.39Å; Y554-S556 PolarHBondContact O-N 3.43Å; Y554-V559 HydrophobicContact CE2-CB 4.45Å; Y554-V559 HydrophobicContact CE2-CG1 3.74Å; Y554-V559 HydrophobicContact CE2-CG2 3.85Å; Y554-V559 HydrophobicContact CD2-CG1 3.97Å
555	P	98.3	Very high	97.8	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.071	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	124.7	177.6	-21.8	31.7	0	0	0	111.6	H514 G539 Y540 Y557 K558	H514-P555 WeakPolarHBondContact CD2-CD 3.45Å; H514-P555 WeakPolarHBondContact NE2-CD 3.42Å; G539-P555 WeakPolarHBondContact O-CA 3.32Å; Y540-P555 HydrophobicContact CD1-CG 4.33Å; Y540-P555 HydrophobicContact CE1-CG 3.87Å; P555-Y557 HydrophobicContact CB-CD1 3.77Å; P555-Y557 HydrophobicContact CB-CE1 3.63Å; P555-Y557 PolarHBondContact O-N 3.16Å; P555-K558 HydrophobicContact CG-CD 4.09Å; P555-K558 PolarHBondContact O-N 2.88Å; P555-K558 WeakPolarHBondContact O-CB 3.3Å; P555-K558 HydrophobicContact CB-CG 4.13Å; P555-K558 HydrophobicContact CB-CD 4.15Å
556	S	98.3	Very high	97.8	Very high	28 Å²	28	65.3 Å²	65.3	20%	0.196	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28.9	-171.3	-48.6	0	0	0	0	113.4	G539 S541 Y554 K558 V559	G539-S556 PolarHBondContact O-N 3.46Å; G539-S556 PolarHBondContact O-OG 2.82Å; S541-S556 PolarHBondContact N-OG 3.48Å; S541-S556 WeakPolarHBondContact OG-CB 3.49Å; S541-S556 PolarHBondContact OG-OG 2.88Å; Y554-S556 PolarHBondContact O-N 3.43Å; S556-K558 PolarHBondContact O-N 2.93Å; S556-V559 WeakPolarHBondContact O-CG2 3.46Å
557	Y	98.2	Very high	97.8	Very high	157 Å²	157	67 Å²	67	62%	0.616	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-72.6	-9.5	179.3	83.9	-83	0	0	0	114	Y512 P555 V559	Y512-Y557 HydrophobicContact CD2-CE2 4.38Å; P555-Y557 HydrophobicContact CB-CD1 3.77Å; P555-Y557 HydrophobicContact CB-CE1 3.63Å; P555-Y557 PolarHBondContact O-N 3.16Å; Y557-V559 VanDerWaalsContact C-N 3.33Å
558	K	98.6	Very high	97.8	Very high	26 Å²	26	61.5 Å²	61.5	11%	0.113	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-89.4	3.3	-175.9	-67.6	-170.3	175.7	-171.2	0	114.9	I511 Y512 P513 H514 L524 P555 S556	I511-K558 WeakPolarHBondContact CG1-O 3.45Å; I511-K558 PolarHBondContact N-O 3.33Å; Y512-K558 PolarHBondContact N-O 2.74Å; P513-K558 PolarHBondContact O-NZ 3.17Å; H514-K558 HydrophobicContact CB-CD 3.88Å; L524-K558 HydrophobicContact CD1-CB 4.24Å; P555-K558 HydrophobicContact CG-CD 4.09Å; P555-K558 PolarHBondContact O-N 2.88Å; P555-K558 WeakPolarHBondContact O-CB 3.3Å; P555-K558 HydrophobicContact CB-CG 4.13Å; P555-K558 HydrophobicContact CB-CD 4.15Å; S556-K558 PolarHBondContact O-N 2.93Å
559	V	98.6	Very high	97.9	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.097	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.8	-177.7	-66	0	0	0	0	110.3	Q508 I509 L524 I530 Y554 S556 Y557	Q508-V559 HydrophobicContact CB-CB 4.04Å; Q508-V559 HydrophobicContact CB-CG2 4.38Å; I509-V559 CarbonylContact O-C 3.49Å; I509-V559 VanDerWaalsContact O-CA 3.29Å; I509-V559 WeakPolarHBondContact O-CA 3.36Å; L524-V559 HydrophobicContact CD1-CG1 4.37Å; I530-V559 HydrophobicContact CG1-CG1 4.38Å; Y554-V559 HydrophobicContact CE2-CB 4.45Å; Y554-V559 HydrophobicContact CE2-CG1 3.74Å; Y554-V559 HydrophobicContact CE2-CG2 3.85Å; Y554-V559 HydrophobicContact CD2-CG1 3.97Å; S556-V559 WeakPolarHBondContact O-CG2 3.46Å; Y557-V559 VanDerWaalsContact C-N 3.33Å
560	K	97.7	Very high	97.9	Very high	114 Å²	114	60 Å²	60	50%	0.496	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.9	166	67.9	178.4	176.9	177.1	0	109.8	Q508 I509 I511	Q508-K560 CarbonylContact C-O 3.39Å; Q508-K560 VanDerWaalsContact CA-O 3.25Å; Q508-K560 WeakPolarHBondContact CA-O 3.48Å; Q508-K560 WeakPolarHBondContact CB-O 3.42Å; I509-K560 HydrophobicContact CB-CG 4.16Å; I509-K560 PolarHBondContact N-O 3.35Å; I509-K560 PolarHBondContact O-N 3.38Å; I511-K560 HydrophobicContact CG2-CB 4.14Å; I511-K560 HydrophobicContact CG2-CD 3.67Å; I511-K560 HydrophobicContact CG2-CG 3.67Å
561	E	97.8	Very high	97.9	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	137.5	175	-67.1	-55.8	140.8	0	0	111.9	H506 Q508	H506-E561 IonicContact CD2-OE2 3.94Å; H506-E561 IonicContact CE1-OE2 3.83Å; H506-E561 IonicContact NE2-OE1 2.81Å; H506-E561 IonicContact NE2-OE2 3.53Å; H506-E561 PolarHBondContact NE2-OE2 3.23Å; Q508-E561 PolarHBondContact NE2-OE1 3.3Å
562	K	97.8	Very high	97.7	Very high	73 Å²	73	53.5 Å²	53.5	32%	0.317	26%	0.263	S	S	.	.			trans	-94.5	100.7	171.6	-171.8	-174.5	175.8	-140.5	0	108.8	N507 I509 E564	N507-K562 HydrophobicContact CB-CB 4.08Å; N507-K562 HydrophobicContact CB-CD 3.96Å; N507-K562 WeakPolarHBondContact O-CB 3.49Å; N507-K562 PolarHBondContact O-N 2.95Å; I509-K562 HydrophobicContact CD1-CB 4.24Å; I509-K562 HydrophobicContact CD1-CD 4.45Å; I509-K562 HydrophobicContact CD1-CG 3.99Å; I509-K562 HydrophobicContact CG1-CB 4.11Å; I509-K562 HydrophobicContact CG1-CD 4.43Å; I509-K562 HydrophobicContact CG1-CG 4.22Å; K562-E564 PolarHBondContact O-N 3.21Å; K562-E564 PolarHBondContact NZ-OE2 2.83Å; K562-E564 IonicContact NZ-OE2 3.78Å; K562-E564 PolarHBondContact NZ-OE1 3.24Å; K562-E564 WeakPolarHBondContact CE-OE1 3.47Å; K562-E564 IonicContact NZ-OE1 3.89Å; K562-E564 WeakPolarHBondContact CD-OE1 3.47Å; K562-E564 VanDerWaalsContact CE-OE1 3.28Å
563	I	97.2	Very high	97.5	Very high	66 Å²	66	57.3 Å²	57.3	34%	0.338	28%	0.278	S	S	.	.			trans	-74.3	112.5	177.4	-58.1	174.8	0	0	0	109.2	I309 Q318 P324 T565	I309-I563 HydrophobicContact CD1-CG2 3.61Å; I309-I563 HydrophobicContact CG1-CG2 4.1Å; Q318-I563 HydrophobicContact CG-CD1 3.49Å; Q318-I563 VanDerWaalsContact CG-CD1 3.49Å; P324-I563 HydrophobicContact CG-CD1 4.23Å; I563-T565 HydrophobicContact CG2-CG2 4.46Å
564	E	97.3	Very high	97.2	Very high	65 Å²	65	56 Å²	56	30%	0.304	27%	0.271	S	S	.	.			trans	-85.4	137.9	174.2	-56.4	-68.4	-176.9	0	0	109.6	A308 I309 K562	A308-E564 WeakPolarHBondContact CA-O 3.47Å; A308-E564 HydrophobicContact CB-CB 4.05Å; I309-E564 PolarHBondContact N-O 3Å; K562-E564 PolarHBondContact O-N 3.21Å; K562-E564 PolarHBondContact NZ-OE2 2.83Å; K562-E564 IonicContact NZ-OE2 3.78Å; K562-E564 PolarHBondContact NZ-OE1 3.24Å; K562-E564 WeakPolarHBondContact CE-OE1 3.47Å; K562-E564 IonicContact NZ-OE1 3.89Å; K562-E564 WeakPolarHBondContact CD-OE1 3.47Å; K562-E564 VanDerWaalsContact CE-OE1 3.28Å
565	T	98.1	Very high	96.3	Very high	65 Å²	65	57.8 Å²	57.8	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.1	179.1	60.1	0	0	0	0	110.9	I309 A314 I563	I309-T565 HydrophobicContact CG1-CG2 4.05Å; I309-T565 CarbonylContact O-C 3.54Å; I309-T565 VanDerWaalsContact O-CA 3.3Å; I309-T565 WeakPolarHBondContact O-CA 3.45Å; A314-T565 HydrophobicContact CB-CG2 3.58Å; I563-T565 HydrophobicContact CG2-CG2 4.46Å
566	V	98.1	Very high	95.4	Very high	21 Å²	21	64.2 Å²	64.2	13%	0.127	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.5	-178.7	169.5	0	0	0	0	109.6	P303 Y304 A308 I309 P310 E311 Y568	P303-V566 HydrophobicContact CB-CG1 3.86Å; P303-V566 HydrophobicContact CB-CG2 4.19Å; P303-V566 HydrophobicContact CG-CG1 4.19Å; P303-V566 WeakPolarHBondContact O-CG2 3.36Å; Y304-V566 HydrophobicContact CD1-CG1 3.75Å; Y304-V566 HydrophobicContact CE1-CG1 3.86Å; A308-V566 HydrophobicContact CB-CB 4.4Å; A308-V566 HydrophobicContact CB-CG2 3.57Å; I309-V566 PolarHBondContact O-N 3.26Å; P310-V566 WeakPolarHBondContact CA-O 3.49Å; E311-V566 PolarHBondContact N-O 3.48Å; V566-Y568 HydrophobicContact CB-CD2 3.96Å; V566-Y568 HydrophobicContact CB-CE2 3.84Å; V566-Y568 HydrophobicContact CG1-CD2 3.85Å; V566-Y568 HydrophobicContact CG1-CE2 3.83Å; V566-Y568 PolarHBondContact O-N 2.95Å
567	K	98.4	Very high	94.2	Very high	154 Å²	154	67.2 Å²	67.2	67%	0.67	32%	0.321	S	S	*	.			trans	-75.5	90.2	174.7	-71.2	-177.5	-179.8	-177.1	0	110.9	E311	E311-K567 WeakPolarHBondContact OE2-CE 3.49Å; E311-K567 WeakPolarHBondContact OE2-CG 3.42Å
568	Y	98.4	Very high	92.7	Very high	13 Å²	13	62.3 Å²	62.3	5%	0.051	31%	0.305	C	S	.	.			trans	-84.9	157.3	170.9	-82.6	-93	0	0	0	111.7	Y236 Y304 P310 W328 V566	Y236-Y568 AromaticContact CD1-CD1 3.58Å; Y236-Y568 HydrophobicContact CD1-CD1 3.58Å; Y236-Y568 HydrophobicContact CD1-CE1 4.07Å; Y236-Y568 AromaticContact CE1-CD1 3.89Å; Y236-Y568 HydrophobicContact CE1-CD1 3.89Å; Y236-Y568 HydrophobicContact CE1-CG 4.45Å; Y304-Y568 VanDerWaalsContact C-OH 3.24Å; Y304-Y568 WeakPolarHBondContact CA-OH 3.41Å; Y304-Y568 WeakPolarHBondContact CB-OH 3.19Å; Y304-Y568 AromaticContact CD1-CD1 3.65Å; Y304-Y568 HydrophobicContact CD1-CD1 3.65Å; Y304-Y568 HydrophobicContact CD1-CD2 4.16Å; Y304-Y568 AromaticContact CD1-CE1 3.45Å; Y304-Y568 HydrophobicContact CD1-CE1 3.45Å; Y304-Y568 VanDerWaalsContact CD1-CE1 3.45Å; Y304-Y568 AromaticContact CD1-CE2 3.97Å; Y304-Y568 HydrophobicContact CD1-CE2 3.97Å; Y304-Y568 HydrophobicContact CD1-CG 4.06Å; Y304-Y568 AromaticContact CD1-CZ 3.64Å; Y304-Y568 HydrophobicContact CE1-CD1 4.15Å; Y304-Y568 HydrophobicContact CE1-CE1 4.38Å; Y304-Y568 HydrophobicContact CE1-CG 4.34Å; Y304-Y568 HydrophobicContact CG-CD1 4.5Å; Y304-Y568 AromaticContact CG-CE1 3.96Å; Y304-Y568 HydrophobicContact CG-CE1 3.96Å; Y304-Y568 PolarHBondContact O-OH 3.35Å; P310-Y568 HydrophobicContact CB-CD2 4.09Å; P310-Y568 HydrophobicContact CB-CG 4.34Å; P310-Y568 HydrophobicContact CG-CD2 3.88Å; P310-Y568 HydrophobicContact CG-CE2 4.37Å; P310-Y568 HydrophobicContact CG-CG 4.12Å; W328-Y568 HydrophobicContact CZ2-CD1 4.19Å; W328-Y568 AromaticContact CZ2-CE1 4Å; W328-Y568 HydrophobicContact CZ2-CE1 4Å; W328-Y568 AromaticContact NE1-CZ 3.75Å; V566-Y568 HydrophobicContact CB-CD2 3.96Å; V566-Y568 HydrophobicContact CB-CE2 3.84Å; V566-Y568 HydrophobicContact CG1-CD2 3.85Å; V566-Y568 HydrophobicContact CG1-CE2 3.83Å; V566-Y568 PolarHBondContact O-N 2.95Å
569	P	97.6	Very high	91	Very high	20 Å²	20	66 Å²	66	13%	0.13	33%	0.327	C	S	.	.			trans	-64.6	143.6	170.2	-17.6	30.6	0	0	0	112.1	Y236 G237 Q239 Y571	Y236-P569 WeakPolarHBondContact O-CG 3.48Å; Y236-P569 PolarHBondContact OH-O 3.08Å; G237-P569 WeakPolarHBondContact O-CD 2.93Å; G237-P569 WeakPolarHBondContact O-CG 3.49Å; Q239-P569 HydrophobicContact CG-CB 3.75Å; Q239-P569 HydrophobicContact CG-CG 3.45Å; Q239-P569 VanDerWaalsContact CG-CG 3.45Å; P569-Y571 HydrophobicContact CG-CE2 4.34Å; P569-Y571 WeakPolarHBondContact O-CD2 3.42Å; P569-Y571 HydrophobicContact CB-CE2 3.7Å; P569-Y571 HydrophobicContact CB-CE1 4.49Å; P569-Y571 HydrophobicContact CB-CD2 4.18Å
570	L	96.4	Very high	89.1	Confident	86 Å²	86	68.6 Å²	68.6	45%	0.45	35%	0.345	S	S	.	.			trans	-92.6	-18.4	-175.5	-54.8	-178.2	0	0	0	113.8	R195 D312	R195-L570 WeakPolarHBondContact CD-O 3.47Å; R195-L570 PolarHBondContact NE-O 2.96Å; R195-L570 PolarHBondContact NH2-O 3.45Å; D312-L570 HydrophobicContact CB-CD2 3.52Å; D312-L570 VanDerWaalsContact OD2-CD2 3.3Å; D312-L570 WeakPolarHBondContact OD2-CD2 3.39Å
571	Y	97	Very high	87	Confident	13 Å²	13	70.7 Å²	70.7	5%	0.051	36%	0.357	C	S	.	.			trans	46.9	54.1	-176.3	-57.5	-81	0	0	0	114	R195 Y198 L199 Y236 Q239 P569 E573 A574	R195-Y571 HydrophobicContact CB-CD2 4.1Å; R195-Y571 HydrophobicContact CB-CG 4.42Å; Y198-Y571 AromaticContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CD1 3.89Å; Y198-Y571 HydrophobicContact CD1-CG 4.47Å; Y198-Y571 HydrophobicContact CE1-CD1 4.07Å; L199-Y571 HydrophobicContact CB-CE1 4.18Å; L199-Y571 HydrophobicContact CD1-CE1 3.93Å; Y236-Y571 HydrophobicContact CD1-CE2 4.12Å; Y236-Y571 AromaticContact CD2-CE2 3.89Å; Y236-Y571 HydrophobicContact CD2-CE2 3.89Å; Y236-Y571 HydrophobicContact CE1-CD2 4.34Å; Y236-Y571 AromaticContact CE1-CE2 3.72Å; Y236-Y571 HydrophobicContact CE1-CE2 3.72Å; Y236-Y571 AromaticContact CE2-CD2 3.87Å; Y236-Y571 HydrophobicContact CE2-CD2 3.87Å; Y236-Y571 AromaticContact CE2-CE2 3.49Å; Y236-Y571 HydrophobicContact CE2-CE2 3.49Å; Y236-Y571 VanDerWaalsContact CE2-CE2 3.49Å; Y236-Y571 HydrophobicContact CG-CE2 4.18Å; Y236-Y571 AromaticContact CZ-CD2 3.66Å; Y236-Y571 AromaticContact CZ-CE2 3.38Å; Y236-Y571 PolarHBondContact O-OH 3.22Å; Y236-Y571 WeakPolarHBondContact OH-CD2 3.47Å; Q239-Y571 WeakPolarHBondContact CA-OH 3.44Å; Q239-Y571 HydrophobicContact CG-CE1 4.2Å; P569-Y571 HydrophobicContact CG-CE2 4.34Å; P569-Y571 WeakPolarHBondContact O-CD2 3.42Å; P569-Y571 HydrophobicContact CB-CE2 3.7Å; P569-Y571 HydrophobicContact CB-CE1 4.49Å; P569-Y571 HydrophobicContact CB-CD2 4.18Å; Y571-E573 PolarHBondContact O-N 3.21Å; Y571-A574 VanDerWaalsContact O-CB 3.27Å; Y571-A574 WeakPolarHBondContact O-CB 3.37Å; Y571-A574 PolarHBondContact O-N 2.82Å
572	P	94.7	Very high	84.6	Confident	64 Å²	64	72.7 Å²	72.7	42%	0.416	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-19.1	-174.5	28	-36.7	0	0	0	114	A574 D575 K576	P572-A574 VanDerWaalsContact C-N 3.33Å; P572-D575 PolarHBondContact O-N 3.37Å; P572-K576 WeakPolarHBondContact O-CG 3.43Å; P572-K576 PolarHBondContact O-N 3.05Å
573	E	93.2	Very high	81.8	Confident	88 Å²	88	80.5 Å²	80.5	41%	0.411	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-40.4	172.5	-60.5	74.6	-160.9	0	0	111.5	Y198 Y571 D575 K576 L577	Y198-E573 HydrophobicContact CE1-CB 4.28Å; Y198-E573 HydrophobicContact CE2-CB 3.83Å; Y198-E573 WeakPolarHBondContact OH-CB 3.35Å; Y571-E573 PolarHBondContact O-N 3.21Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 3.45Å; E573-K576 PolarHBondContact O-N 3.35Å; E573-L577 PolarHBondContact O-N 2.82Å
574	A	90.3	Very high	81	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-41.9	176.3	0	0	0	0	0	110.5	N194 R195 Y198 Y571 P572 K576 L577 L578	N194-A574 VanDerWaalsContact ND2-CB 3.34Å; N194-A574 WeakPolarHBondContact ND2-CB 3.32Å; N194-A574 PolarHBondContact ND2-O 2.82Å; R195-A574 HydrophobicContact CG-CB 4.44Å; Y198-A574 HydrophobicContact CD1-CB 4.24Å; Y198-A574 HydrophobicContact CD2-CB 4.2Å; Y198-A574 HydrophobicContact CG-CB 3.74Å; Y571-A574 VanDerWaalsContact O-CB 3.27Å; Y571-A574 WeakPolarHBondContact O-CB 3.37Å; Y571-A574 PolarHBondContact O-N 2.82Å; P572-A574 VanDerWaalsContact C-N 3.33Å; A574-K576 VanDerWaalsContact C-N 3.3Å; A574-K576 PolarHBondContact O-N 3.23Å; A574-L577 PolarHBondContact O-N 3.43Å; A574-L578 PolarHBondContact O-N 2.89Å
575	D	81	Confident	80.2	Confident	38 Å²	38	82.1 Å²	82.1	20%	0.203	41%	0.413	C	S	.	.	H	α-helix	trans	-66.4	-32	-179.4	-62.6	-9.6	0	0	0	111.8	L191 R195 P572 E573 N579	L191-D575 WeakPolarHBondContact CD1-OD1 3.48Å; R195-D575 IonicContact NE-OD1 2.81Å; R195-D575 IonicContact NE-OD2 2.64Å; R195-D575 IonicContact NH2-OD2 3Å; R195-D575 PolarHBondContact NH2-OD2 2.75Å; P572-D575 PolarHBondContact O-N 3.37Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 3.45Å; D575-N579 PolarHBondContact O-N 3.21Å; D575-N579 PolarHBondContact O-ND2 3.04Å
576	K	79.1	Confident	79.2	Confident	146 Å²	146	83.1 Å²	83.1	64%	0.635	41%	0.414	S	S	*	.	H	α-helix	trans	-68.5	-39.2	174.5	-71.9	172.2	-174.4	171.3	0	112.1	P572 E573 A574 N579 S580	P572-K576 WeakPolarHBondContact O-CG 3.43Å; P572-K576 PolarHBondContact O-N 3.05Å; E573-K576 PolarHBondContact O-N 3.35Å; A574-K576 VanDerWaalsContact C-N 3.3Å; A574-K576 PolarHBondContact O-N 3.23Å; K576-N579 PolarHBondContact O-N 3.32Å; K576-S580 PolarHBondContact O-N 3.41Å
577	L	73.2	Confident	78.1	Confident	90 Å²	90	86.7 Å²	86.7	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-45.3	178.5	-69.6	169.6	0	0	0	111.3	Y198 E573 A574 N579 S580 Q581	Y198-L577 HydrophobicContact CD2-CD1 4.22Å; E573-L577 PolarHBondContact O-N 2.82Å; A574-L577 PolarHBondContact O-N 3.43Å; L577-N579 VanDerWaalsContact C-N 3.33Å; L577-N579 PolarHBondContact O-N 3.45Å; L577-S580 PolarHBondContact O-N 3.4Å; L577-S580 VanDerWaalsContact O-N 3.17Å; L577-S580 PolarHBondContact O-OG 2.82Å; L577-Q581 PolarHBondContact O-N 3.36Å
578	L	66.6	Low	76.8	Confident	54 Å²	54	82.5 Å²	82.5	28%	0.283	42%	0.416	S	S	.	.	H	α-helix	trans	-55.1	-45.9	173.5	-82.3	170.5	0	0	0	112.6	N194 A574 S580 Q581 N582	N194-L578 HydrophobicContact CB-CD1 3.65Å; N194-L578 HydrophobicContact CB-CD2 4.4Å; N194-L578 HydrophobicContact CB-CG 4.13Å; N194-L578 VanDerWaalsContact CG-CD1 3.4Å; N194-L578 VanDerWaalsContact CG-CG 3.48Å; N194-L578 WeakPolarHBondContact ND2-CD1 3.27Å; N194-L578 VanDerWaalsContact ND2-CG 3.33Å; N194-L578 WeakPolarHBondContact ND2-CG 3.36Å; A574-L578 PolarHBondContact O-N 2.89Å; L578-S580 VanDerWaalsContact C-N 3.29Å; L578-S580 PolarHBondContact O-N 3.29Å; L578-Q581 PolarHBondContact O-N 3.17Å; L578-N582 PolarHBondContact O-N 2.98Å; L578-N582 PolarHBondContact O-ND2 3.04Å
579	N	62.3	Low	75.3	Confident	105 Å²	105	87.1 Å²	87.1	56%	0.561	44%	0.44	S	S	*	.	H	α-helix	trans	-72.5	-21.5	-177.9	-74.6	-49.4	0	0	0	113.6	D575 K576 L577	D575-N579 PolarHBondContact O-N 3.21Å; D575-N579 PolarHBondContact O-ND2 3.04Å; K576-N579 PolarHBondContact O-N 3.32Å; L577-N579 VanDerWaalsContact C-N 3.33Å; L577-N579 PolarHBondContact O-N 3.45Å
580	S	59.8	Low	73.8	Confident	70 Å²	70	91.9 Å²	91.9	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-81.6	-28.4	176.2	69.5	0	0	0	0	113.4	K576 L577 L578	K576-S580 PolarHBondContact O-N 3.41Å; L577-S580 PolarHBondContact O-N 3.4Å; L577-S580 VanDerWaalsContact O-N 3.17Å; L577-S580 PolarHBondContact O-OG 2.82Å; L578-S580 VanDerWaalsContact C-N 3.29Å; L578-S580 PolarHBondContact O-N 3.29Å
581	Q	51.7	Low	72	Confident	157 Å²	157	92.4 Å²	92.4	73%	0.734	46%	0.464	S	S	*	.	H	α-helix	trans	-80.5	-21.5	176.5	-69.5	-178.9	-7.1	0	0	113.3	L577 L578	L577-Q581 PolarHBondContact O-N 3.36Å; L578-Q581 PolarHBondContact O-N 3.17Å
582	N	48.3	Very low	69.9	Low	138 Å²	138	99 Å²	99	74%	0.738	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	5.3	177.4	-72.8	-31.2	0	0	0	113.8	L578	L578-N582 PolarHBondContact O-N 2.98Å; L578-N582 PolarHBondContact O-ND2 3.04Å
583	K	38.9	Very low	67.7	Low	238 Å²	238	102.2 Å²	102.2	100%	1.035	51%	0.506	S	S	*	.			trans	-109	0	170.6	-78.4	-178	178.4	177.9	0	109.1

Retrieved 583 of 583 residues in 958 ms (Link to these results)

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