A0A096NVM7_PAPAN 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 (A0A2K5ZY36), UniProt , Accession A0A096NVM7, Species PAPAN (Papio anubis, Olive baboon), Gene FUT8, Length 575 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	42	Very low	58.6	Low	253 Å²	253	160.4 Å²	160.4	100%	1.246	74%	0.743	S	S	*	*				0	113.6	0	-73.3	166.5	172.6	0	0	107.8
2	R	44.9	Very low	60.2	Low	243 Å²	243	156.1 Å²	156.1	92%	0.917	73%	0.726	S	S	*	*			trans	-94.2	144.1	178.4	-74.6	-178.4	176.4	-178.7	-1.2	109.4
3	P	51.4	Low	61.6	Low	112 Å²	112	152.5 Å²	152.5	73%	0.727	71%	0.714	S	S	*	*			trans	-80	140.7	-177.2	32.3	-32.3	0	0	0	111.6	T5	P3-T5 PolarHBondContact O-N 2.94Å
4	W	44.8	Very low	63	Low	234 Å²	234	148.6 Å²	148.6	89%	0.886	70%	0.699	S	S	*	*			trans	-86.7	83.8	-173.5	-140.9	58.4	0	0	0	110.1	G6	W4-G6 PolarHBondContact O-N 3.09Å
5	T	54.8	Low	64.2	Low	141 Å²	141	146.1 Å²	146.1	87%	0.865	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	45.8	177.8	54	0	0	0	0	112.7	P3	P3-T5 PolarHBondContact O-N 2.94Å
6	G	58	Low	65.3	Low	37 Å²	37	146.8 Å²	146.8	38%	0.381	69%	0.691	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.7	-17.7	-176.4	0	0	0	0	0	115.5	W4	W4-G6 PolarHBondContact O-N 3.09Å
7	S	61.9	Low	66.3	Low	70 Å²	70	141.4 Å²	141.4	49%	0.49	68%	0.677	S	S	.	*	H	α-helix	trans	-89.1	-21.9	-163.2	-160.2	0	0	0	0	115.5	I11	S7-I11 WeakPolarHBondContact O-CD1 3.46Å; S7-I11 WeakPolarHBondContact O-CG1 3.5Å
8	W	69.4	Low	67.1	Low	200 Å²	200	141.9 Å²	141.9	76%	0.758	67%	0.671	S	S	*	*	H	α-helix	trans	-81.1	-29.1	-172.7	-138.6	63.3	0	0	0	113.4	I11 M12	W8-I11 PolarHBondContact O-N 3.16Å; W8-M12 PolarHBondContact O-N 3.48Å
9	R	68.6	Low	67.8	Low	210 Å²	210	136.6 Å²	136.6	79%	0.792	66%	0.657	S	S	*	*	H	α-helix	trans	-66.6	-36.6	175.9	-78.5	-179	157.8	-178.9	-6.3	112.7	L13	R9-L13 PolarHBondContact O-N 3.42Å; R9-L13 VanDerWaalsContact O-N 3.15Å
10	W	72.7	Confident	68.3	Low	182 Å²	182	133.8 Å²	133.8	69%	0.689	65%	0.649	S	S	*	*	H	α-helix	trans	-70.9	-37.4	177.4	-77.2	103.5	0	0	0	112.5	L13 I14	W10-L13 PolarHBondContact O-N 3.39Å; W10-I14 VanDerWaalsContact O-CG1 3.31Å; W10-I14 WeakPolarHBondContact O-CG1 3.4Å; W10-I14 PolarHBondContact O-N 3.05Å
11	I	76.3	Confident	68.9	Low	82 Å²	82	131.5 Å²	131.5	42%	0.421	64%	0.64	S	S	.	*	H	α-helix	trans	-64.6	-42.7	176.6	-64.6	166.4	0	0	0	110.7	S7 W8 L13 I14 L15	S7-I11 WeakPolarHBondContact O-CD1 3.46Å; S7-I11 WeakPolarHBondContact O-CG1 3.5Å; W8-I11 PolarHBondContact O-N 3.16Å; I11-L13 PolarHBondContact O-N 2.81Å; I11-I14 PolarHBondContact O-N 2.82Å; I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 WeakPolarHBondContact O-CG 3.4Å; I11-L15 PolarHBondContact O-N 3.2Å
12	M	77.3	Confident	70.5	Confident	109 Å²	109	124.5 Å²	124.5	54%	0.537	61%	0.607	S	S	.	*	H	α-helix	trans	-64.3	-39	176.2	-73.6	-68.2	-104.2	0	0	112.5	W8 L15 F16	W8-M12 PolarHBondContact O-N 3.48Å; M12-L15 PolarHBondContact O-N 3.34Å; M12-F16 WeakPolarHBondContact O-CB 3.49Å; M12-F16 PolarHBondContact O-N 3.26Å
13	L	78.8	Confident	72	Confident	109 Å²	109	121.3 Å²	121.3	57%	0.571	60%	0.6	S	S	*	*	H	α-helix	trans	-65.6	-40.5	175.9	-81.2	166.1	0	0	0	112.4	R9 W10 I11 F16 A17	R9-L13 PolarHBondContact O-N 3.42Å; R9-L13 VanDerWaalsContact O-N 3.15Å; W10-L13 PolarHBondContact O-N 3.39Å; I11-L13 PolarHBondContact O-N 2.81Å; L13-F16 PolarHBondContact O-N 3.36Å; L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.17Å
14	I	80.8	Confident	73.2	Confident	98 Å²	98	123.4 Å²	123.4	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-41.7	177.4	-68.1	167.2	0	0	0	110.6	W10 I11 F16 A17 W18	W10-I14 VanDerWaalsContact O-CG1 3.31Å; W10-I14 WeakPolarHBondContact O-CG1 3.4Å; W10-I14 PolarHBondContact O-N 3.05Å; I11-I14 PolarHBondContact O-N 2.82Å; I14-F16 VanDerWaalsContact C-N 3.35Å; I14-A17 PolarHBondContact O-N 3.46Å; I14-W18 WeakPolarHBondContact O-CB 3.31Å; I14-W18 PolarHBondContact O-N 2.87Å
15	L	80.9	Confident	74.6	Confident	111 Å²	111	116.2 Å²	116.2	58%	0.581	57%	0.573	S	S	*	*	H	α-helix	trans	-64.8	-38.3	175.8	-77.6	168.4	0	0	0	112.1	I11 M12 W18 G19	I11-L15 HydrophobicContact CG2-CD1 4.01Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 WeakPolarHBondContact O-CG 3.4Å; I11-L15 PolarHBondContact O-N 3.2Å; M12-L15 PolarHBondContact O-N 3.34Å; L15-W18 PolarHBondContact O-N 3.06Å; L15-G19 PolarHBondContact O-N 3.13Å
16	F	83.1	Confident	75.2	Confident	158 Å²	158	111.1 Å²	111.1	69%	0.693	55%	0.548	S	S	*	.	H	α-helix	trans	-67.7	-42.8	176.4	-146.6	-88.6	0	0	0	111.5	M12 L13 I14 G19 T20	M12-F16 WeakPolarHBondContact O-CB 3.49Å; M12-F16 PolarHBondContact O-N 3.26Å; L13-F16 PolarHBondContact O-N 3.36Å; I14-F16 VanDerWaalsContact C-N 3.35Å; F16-G19 PolarHBondContact O-N 3.42Å; F16-T20 HydrophobicContact CD1-CG2 4.26Å; F16-T20 HydrophobicContact CE1-CG2 4.36Å; F16-T20 WeakPolarHBondContact O-CG2 3.38Å; F16-T20 PolarHBondContact O-N 3.4Å; F16-T20 PolarHBondContact O-OG1 3.4Å
17	A	82.3	Confident	75.4	Confident	54 Å²	54	111.1 Å²	111.1	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-42.6	175	0	0	0	0	0	111.9	L13 I14 T20 L21	L13-A17 WeakPolarHBondContact O-CB 3.24Å; L13-A17 PolarHBondContact O-N 3.17Å; I14-A17 PolarHBondContact O-N 3.46Å; A17-T20 WeakPolarHBondContact CA-OG1 3.3Å; A17-T20 PolarHBondContact O-N 3.07Å; A17-T20 PolarHBondContact O-OG1 3.28Å; A17-L21 WeakPolarHBondContact O-CB 3.27Å; A17-L21 PolarHBondContact O-N 3.47Å
18	W	79.5	Confident	75.2	Confident	152 Å²	152	113 Å²	113	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-39.5	174.4	-103.5	87.1	0	0	0	112.7	I14 L15 L21 L22	I14-W18 WeakPolarHBondContact O-CB 3.31Å; I14-W18 PolarHBondContact O-N 2.87Å; L15-W18 PolarHBondContact O-N 3.06Å; W18-L21 PolarHBondContact O-N 3.22Å; W18-L22 HydrophobicContact CE3-CD1 4.01Å; W18-L22 HydrophobicContact CE3-CG 4.15Å; W18-L22 HydrophobicContact CZ3-CD1 4.44Å; W18-L22 HydrophobicContact CZ3-CG 4.44Å; W18-L22 WeakPolarHBondContact O-CB 3.35Å; W18-L22 WeakPolarHBondContact O-CG 3.21Å; W18-L22 PolarHBondContact O-N 2.81Å
19	G	81.1	Confident	74.5	Confident	40 Å²	40	109.7 Å²	109.7	41%	0.412	55%	0.545	S	S	.	.	H	α-helix	trans	-62.1	-43.6	174.2	0	0	0	0	0	112.3	L15 F16 L22 F23	L15-G19 PolarHBondContact O-N 3.13Å; F16-G19 PolarHBondContact O-N 3.42Å; G19-L22 PolarHBondContact O-N 2.84Å; G19-F23 WeakPolarHBondContact O-CB 3.45Å; G19-F23 PolarHBondContact O-N 3.03Å
20	T	78.4	Confident	73.8	Confident	80 Å²	80	104.9 Å²	104.9	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-35.1	175.6	51.1	0	0	0	0	112.8	F16 A17 F23 Y24	F16-T20 HydrophobicContact CD1-CG2 4.26Å; F16-T20 HydrophobicContact CE1-CG2 4.36Å; F16-T20 WeakPolarHBondContact O-CG2 3.38Å; F16-T20 PolarHBondContact O-N 3.4Å; F16-T20 PolarHBondContact O-OG1 3.4Å; A17-T20 WeakPolarHBondContact CA-OG1 3.3Å; A17-T20 PolarHBondContact O-N 3.07Å; A17-T20 PolarHBondContact O-OG1 3.28Å; T20-F23 PolarHBondContact O-N 2.85Å; T20-Y24 VanDerWaalsContact O-CB 3.27Å; T20-Y24 WeakPolarHBondContact O-CB 3.32Å; T20-Y24 PolarHBondContact O-N 3.18Å
21	L	79.6	Confident	72.5	Confident	87 Å²	87	106.7 Å²	106.7	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-68.2	-44	176.2	-169.9	79.2	0	0	0	111.3	A17 W18 F23 Y24 I25	A17-L21 WeakPolarHBondContact O-CB 3.27Å; A17-L21 PolarHBondContact O-N 3.47Å; W18-L21 PolarHBondContact O-N 3.22Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 PolarHBondContact O-N 3.27Å; L21-Y24 PolarHBondContact O-N 3.05Å; L21-I25 HydrophobicContact CD1-CD1 4.45Å; L21-I25 HydrophobicContact CD2-CD1 4.34Å; L21-I25 HydrophobicContact CG-CD1 3.92Å; L21-I25 WeakPolarHBondContact O-CB 3.21Å; L21-I25 VanDerWaalsContact O-CG1 3.29Å; L21-I25 WeakPolarHBondContact O-CG1 3.2Å; L21-I25 PolarHBondContact O-N 2.93Å
22	L	76.6	Confident	71	Confident	105 Å²	105	109.3 Å²	109.3	55%	0.55	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-36.1	175.7	-77.4	170.1	0	0	0	112	W18 G19 G26	W18-L22 HydrophobicContact CE3-CD1 4.01Å; W18-L22 HydrophobicContact CE3-CG 4.15Å; W18-L22 HydrophobicContact CZ3-CD1 4.44Å; W18-L22 HydrophobicContact CZ3-CG 4.44Å; W18-L22 WeakPolarHBondContact O-CB 3.35Å; W18-L22 WeakPolarHBondContact O-CG 3.21Å; W18-L22 PolarHBondContact O-N 2.81Å; G19-L22 PolarHBondContact O-N 2.84Å; L22-G26 WeakPolarHBondContact O-CA 3.22Å; L22-G26 PolarHBondContact O-N 3.14Å
23	F	76	Confident	69.3	Low	176 Å²	176	110.9 Å²	110.9	77%	0.772	57%	0.571	S	S	*	*	H	α-helix	trans	-70.5	-35.3	174.4	-154.7	-89.2	0	0	0	112.1	G19 T20 L21 G27	G19-F23 WeakPolarHBondContact O-CB 3.45Å; G19-F23 PolarHBondContact O-N 3.03Å; T20-F23 PolarHBondContact O-N 2.85Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 PolarHBondContact O-N 3.27Å; F23-G27 WeakPolarHBondContact O-CA 3.39Å; F23-G27 PolarHBondContact O-N 2.88Å
24	Y	76.6	Confident	67.7	Low	157 Å²	157	112.1 Å²	112.1	62%	0.616	58%	0.578	S	S	*	*	H	α-helix	trans	-69.3	-44.6	175.6	-174.3	-100	0	0	0	111.9	T20 L21 H28	T20-Y24 VanDerWaalsContact O-CB 3.27Å; T20-Y24 WeakPolarHBondContact O-CB 3.32Å; T20-Y24 PolarHBondContact O-N 3.18Å; L21-Y24 PolarHBondContact O-N 3.05Å; Y24-H28 PolarHBondContact O-N 3.29Å
25	I	74	Confident	66.2	Low	83 Å²	83	115 Å²	115	43%	0.426	59%	0.589	S	S	.	*	H	α-helix	trans	-70.1	-43.7	177.3	-65.1	170	0	0	0	110.7	L21 H28 L29	L21-I25 HydrophobicContact CD1-CD1 4.45Å; L21-I25 HydrophobicContact CD2-CD1 4.34Å; L21-I25 HydrophobicContact CG-CD1 3.92Å; L21-I25 WeakPolarHBondContact O-CB 3.21Å; L21-I25 VanDerWaalsContact O-CG1 3.29Å; L21-I25 WeakPolarHBondContact O-CG1 3.2Å; L21-I25 PolarHBondContact O-N 2.93Å; I25-H28 PolarHBondContact O-N 2.93Å; I25-L29 HydrophobicContact CG2-CD1 4.01Å; I25-L29 PolarHBondContact O-N 3.14Å
26	G	66.7	Low	64.6	Low	33 Å²	33	114.7 Å²	114.7	34%	0.34	59%	0.594	S	S	.	*	H	α-helix	trans	-65.4	-37.5	175.3	0	0	0	0	0	112.8	L22 H28 L29 V30	L22-G26 WeakPolarHBondContact O-CA 3.22Å; L22-G26 PolarHBondContact O-N 3.14Å; G26-H28 VanDerWaalsContact C-N 3.34Å; G26-L29 PolarHBondContact O-N 2.99Å; G26-V30 WeakPolarHBondContact O-CB 3.41Å; G26-V30 VanDerWaalsContact O-CG2 3.3Å; G26-V30 WeakPolarHBondContact O-CG2 3.45Å; G26-V30 PolarHBondContact O-N 3.12Å
27	G	63.6	Low	63	Low	38 Å²	38	112.9 Å²	112.9	39%	0.392	59%	0.592	S	S	.	*	H	α-helix	trans	-68.6	-28.6	174.7	0	0	0	0	0	113.6	F23 R31	F23-G27 WeakPolarHBondContact O-CA 3.39Å; F23-G27 PolarHBondContact O-N 2.88Å; G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 PolarHBondContact O-N 3.49Å
28	H	57.6	Low	61.6	Low	109 Å²	109	116.3 Å²	116.3	51%	0.505	60%	0.598	S	S	.	*	H	α-helix	trans	-80.5	-33.8	172.9	-114.6	-76.3	0	0	0	112.8	Y24 I25 G26	Y24-H28 PolarHBondContact O-N 3.29Å; I25-H28 PolarHBondContact O-N 2.93Å; G26-H28 VanDerWaalsContact C-N 3.34Å
29	L	54.4	Low	60.5	Low	131 Å²	131	112.7 Å²	112.7	69%	0.686	60%	0.596	S	S	*	*	H	α-helix	trans	-75.8	-31.1	177.5	-105.3	131.5	0	0	0	113.8	I25 G26	I25-L29 HydrophobicContact CG2-CD1 4.01Å; I25-L29 PolarHBondContact O-N 3.14Å; G26-L29 PolarHBondContact O-N 2.99Å
30	V	52.9	Low	59.4	Low	109 Å²	109	113.3 Å²	113.3	66%	0.661	59%	0.594	S	S	*	*	H	α-helix	trans	-81.7	-21.4	176.8	174.2	0	0	0	0	111.9	G26	G26-V30 WeakPolarHBondContact O-CB 3.41Å; G26-V30 VanDerWaalsContact O-CG2 3.3Å; G26-V30 WeakPolarHBondContact O-CG2 3.45Å; G26-V30 PolarHBondContact O-N 3.12Å
31	R	47.1	Very low	58.6	Low	219 Å²	219	118 Å²	118	83%	0.826	60%	0.603	S	S	*	*	H	α-helix	trans	-87.6	-10.6	-178.2	-163.9	167.8	168.9	172.7	-3.7	114.2	G27	G27-R31 WeakPolarHBondContact O-CB 3.48Å; G27-R31 PolarHBondContact O-N 3.49Å
32	D	44.7	Very low	57.9	Low	137 Å²	137	118.5 Å²	118.5	73%	0.733	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	4.6	176.3	-87	-17.6	0	0	0	114.5
33	N	41.7	Very low	57.4	Low	143 Å²	143	118.6 Å²	118.6	77%	0.765	60%	0.603	S	S	*	*	S	Bend	trans	-119.8	16.5	-177.7	-124.2	9	0	0	0	116
34	D	45	Very low	57	Low	134 Å²	134	113.2 Å²	113.2	72%	0.717	59%	0.588	S	S	*	*			trans	-115.5	39.9	-177.4	-105.5	-7.1	0	0	0	114.1
35	H	48.4	Very low	56.8	Low	159 Å²	159	111.9 Å²	111.9	74%	0.736	59%	0.585	S	S	*	*			trans	-134.7	80.9	167.1	-86.1	-5.2	0	0	0	113.4	D37	H35-D37 VanDerWaalsContact C-N 3.26Å
36	P	47.2	Very low	56.9	Low	104 Å²	104	112.3 Å²	112.3	68%	0.675	59%	0.587	S	S	*	*	S	Bend	trans	-78	-9.2	164	11	3.3	0	0	0	113.2	S39	P36-S39 PolarHBondContact O-OG 3.49Å
37	D	50.5	Low	57.3	Low	121 Å²	121	115.6 Å²	115.6	65%	0.647	60%	0.596	S	S	*	*	H	α-helix	trans	-96.7	-8.7	-165.7	-114.3	-6.7	0	0	0	115.8	H35 S40	H35-D37 VanDerWaalsContact C-N 3.26Å; D37-S40 PolarHBondContact O-OG 2.68Å; D37-S40 PolarHBondContact OD1-OG 3.18Å
38	H	52.3	Low	57.9	Low	125 Å²	125	116.6 Å²	116.6	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-85.3	-31.5	179.2	-144.3	-72.7	0	0	0	112.2	E42	H38-E42 WeakPolarHBondContact O-CB 3.36Å; H38-E42 VanDerWaalsContact O-CG 3.25Å; H38-E42 WeakPolarHBondContact O-CG 3.28Å; H38-E42 PolarHBondContact O-N 3.18Å; H38-E42 VanDerWaalsContact O-N 3.13Å
39	S	56.5	Low	58.8	Low	76 Å²	76	118.5 Å²	118.5	53%	0.531	61%	0.607	S	S	.	*	H	α-helix	trans	-74.3	-36.5	177	62.8	0	0	0	0	111.8	P36 E42 L43	P36-S39 PolarHBondContact O-OG 3.49Å; S39-E42 PolarHBondContact O-N 2.9Å; S39-L43 WeakPolarHBondContact O-CB 3.33Å; S39-L43 PolarHBondContact O-N 3.35Å
40	S	57.3	Low	59.8	Low	54 Å²	54	117.3 Å²	117.3	38%	0.378	60%	0.601	S	S	.	*	H	α-helix	trans	-66.6	-39.1	176.7	66	0	0	0	0	112.2	D37 L43 S44	D37-S40 PolarHBondContact O-OG 2.68Å; D37-S40 PolarHBondContact OD1-OG 3.18Å; S40-L43 PolarHBondContact O-N 3.02Å; S40-S44 WeakPolarHBondContact O-CB 3.43Å; S40-S44 PolarHBondContact O-N 3.03Å; S40-S44 PolarHBondContact O-OG 2.76Å
41	R	62	Low	60.9	Low	179 Å²	179	118.5 Å²	118.5	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-68.7	-38.9	173.7	-93.1	177.7	154.8	179.7	-3	113.5	S44 K45	R41-S44 VanDerWaalsContact CA-OG 3.24Å; R41-S44 WeakPolarHBondContact CA-OG 3.32Å; R41-S44 PolarHBondContact O-OG 2.77Å; R41-S44 VanDerWaalsContact O-OG 3.08Å; R41-K45 WeakPolarHBondContact O-CB 3.47Å; R41-K45 WeakPolarHBondContact O-CG 3.36Å; R41-K45 PolarHBondContact O-N 2.79Å
42	E	65.1	Low	62.4	Low	97 Å²	97	116.6 Å²	116.6	45%	0.453	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-45.1	170.8	-76.4	-88.2	133.1	0	0	110.7	H38 S39 S44 K45 I46	H38-E42 WeakPolarHBondContact O-CB 3.36Å; H38-E42 VanDerWaalsContact O-CG 3.25Å; H38-E42 WeakPolarHBondContact O-CG 3.28Å; H38-E42 PolarHBondContact O-N 3.18Å; H38-E42 VanDerWaalsContact O-N 3.13Å; S39-E42 PolarHBondContact O-N 2.9Å; E42-S44 PolarHBondContact O-N 3.37Å; E42-K45 WeakPolarHBondContact O-CB 3.07Å; E42-K45 PolarHBondContact O-N 3.43Å; E42-I46 WeakPolarHBondContact O-CB 3.4Å; E42-I46 VanDerWaalsContact O-CG1 3.23Å; E42-I46 WeakPolarHBondContact O-CG1 3.31Å; E42-I46 PolarHBondContact O-N 2.99Å
43	L	65.3	Low	63.7	Low	107 Å²	107	115 Å²	115	56%	0.56	58%	0.584	S	S	*	*	H	α-helix	trans	-64.7	-42.3	179.3	-131.6	99.8	0	0	0	112.2	S39 S40 I46 L47	S39-L43 WeakPolarHBondContact O-CB 3.33Å; S39-L43 PolarHBondContact O-N 3.35Å; S40-L43 PolarHBondContact O-N 3.02Å; L43-I46 CarbonylContact O-C 3.57Å; L43-I46 PolarHBondContact O-N 2.92Å; L43-L47 HydrophobicContact CD2-CD1 4.39Å; L43-L47 WeakPolarHBondContact O-CB 3.35Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.35Å
44	S	67.8	Low	65.4	Low	63 Å²	63	114.6 Å²	114.6	44%	0.441	58%	0.575	S	S	.	*	H	α-helix	trans	-67.1	-36.1	176.2	46.2	0	0	0	0	112.1	S40 R41 E42 I46 L47 A48	S40-S44 WeakPolarHBondContact O-CB 3.43Å; S40-S44 PolarHBondContact O-N 3.03Å; S40-S44 PolarHBondContact O-OG 2.76Å; R41-S44 VanDerWaalsContact CA-OG 3.24Å; R41-S44 WeakPolarHBondContact CA-OG 3.32Å; R41-S44 PolarHBondContact O-OG 2.77Å; R41-S44 VanDerWaalsContact O-OG 3.08Å; E42-S44 PolarHBondContact O-N 3.37Å; S44-I46 VanDerWaalsContact C-N 3.35Å; S44-L47 PolarHBondContact O-N 3.11Å; S44-A48 VanDerWaalsContact O-CB 3.25Å; S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 3.46Å
45	K	73.6	Confident	67.1	Low	129 Å²	129	113.9 Å²	113.9	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-64.5	-39.1	169.7	-76.6	172.6	-177	176	0	111.9	R41 E42 K49	R41-K45 WeakPolarHBondContact O-CB 3.47Å; R41-K45 WeakPolarHBondContact O-CG 3.36Å; R41-K45 PolarHBondContact O-N 2.79Å; E42-K45 WeakPolarHBondContact O-CB 3.07Å; E42-K45 PolarHBondContact O-N 3.43Å; K45-K49 WeakPolarHBondContact O-CB 3.49Å; K45-K49 WeakPolarHBondContact O-CG 3.46Å; K45-K49 PolarHBondContact O-N 3.06Å
46	I	74.9	Confident	68.1	Low	92 Å²	92	109.5 Å²	109.5	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-68.4	-43.5	177	-69.7	165.3	0	0	0	110.4	E42 L43 S44 K49 L50	E42-I46 WeakPolarHBondContact O-CB 3.4Å; E42-I46 VanDerWaalsContact O-CG1 3.23Å; E42-I46 WeakPolarHBondContact O-CG1 3.31Å; E42-I46 PolarHBondContact O-N 2.99Å; L43-I46 CarbonylContact O-C 3.57Å; L43-I46 PolarHBondContact O-N 2.92Å; S44-I46 VanDerWaalsContact C-N 3.35Å; I46-K49 WeakPolarHBondContact O-CB 3.36Å; I46-K49 PolarHBondContact O-N 2.94Å; I46-L50 WeakPolarHBondContact O-CB 3.46Å; I46-L50 PolarHBondContact O-N 3.01Å
47	L	74.4	Confident	69.4	Low	102 Å²	102	109.1 Å²	109.1	53%	0.534	54%	0.539	S	S	.	.	H	α-helix	trans	-63.4	-44.8	175.8	-75.7	167.4	0	0	0	111.6	L43 S44 K49 L50 E51	L43-L47 HydrophobicContact CD2-CD1 4.39Å; L43-L47 WeakPolarHBondContact O-CB 3.35Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.35Å; S44-L47 PolarHBondContact O-N 3.11Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 2.9Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 PolarHBondContact O-N 3.26Å; L47-L50 VanDerWaalsContact O-N 3.1Å; L47-E51 WeakPolarHBondContact O-CB 3.43Å; L47-E51 PolarHBondContact O-N 3.16Å
48	A	77.3	Confident	70.6	Confident	58 Å²	58	107.5 Å²	107.5	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-36.1	174.5	0	0	0	0	0	112.1	S44 R52	S44-A48 VanDerWaalsContact O-CB 3.25Å; S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 3.46Å; A48-R52 VanDerWaalsContact O-CB 3.24Å; A48-R52 WeakPolarHBondContact O-CB 3.46Å; A48-R52 PolarHBondContact O-N 2.94Å
49	K	76.9	Confident	71.6	Confident	149 Å²	149	104.7 Å²	104.7	65%	0.648	52%	0.517	S	S	*	.	H	α-helix	trans	-67.1	-40.8	171.8	-82.6	179.7	177.8	178.6	0	112.1	K45 I46 L47 R52 L53	K45-K49 WeakPolarHBondContact O-CB 3.49Å; K45-K49 WeakPolarHBondContact O-CG 3.46Å; K45-K49 PolarHBondContact O-N 3.06Å; I46-K49 WeakPolarHBondContact O-CB 3.36Å; I46-K49 PolarHBondContact O-N 2.94Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 2.9Å; K49-R52 PolarHBondContact O-N 2.85Å; K49-L53 WeakPolarHBondContact O-CB 3.49Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.12Å; K49-L53 PolarHBondContact O-N 3.07Å
50	L	74	Confident	72.3	Confident	106 Å²	106	106.3 Å²	106.3	56%	0.555	52%	0.519	S	S	*	.	H	α-helix	trans	-67.1	-41.2	179.3	-119.8	158.4	0	0	0	111.6	I46 L47 L53 K54	I46-L50 WeakPolarHBondContact O-CB 3.46Å; I46-L50 PolarHBondContact O-N 3.01Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 PolarHBondContact O-N 3.26Å; L47-L50 VanDerWaalsContact O-N 3.1Å; L50-L53 PolarHBondContact O-N 3.2Å; L50-K54 WeakPolarHBondContact O-CB 3.39Å; L50-K54 PolarHBondContact O-N 3.04Å
51	E	76.8	Confident	72.8	Confident	135 Å²	135	112 Å²	112	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-66.8	-41.8	176.4	-164.8	161.9	-149.2	0	0	110.9	L47 L53 K54 Q55	L47-E51 WeakPolarHBondContact O-CB 3.43Å; L47-E51 PolarHBondContact O-N 3.16Å; E51-L53 PolarHBondContact O-N 2.93Å; E51-K54 PolarHBondContact O-N 3.44Å; E51-Q55 WeakPolarHBondContact O-CB 3.46Å; E51-Q55 PolarHBondContact O-N 3.46Å
52	R	78.8	Confident	73.3	Confident	178 Å²	178	111.3 Å²	111.3	67%	0.672	53%	0.53	S	S	*	.	H	α-helix	trans	-62.6	-41.3	172	-169.7	172.8	-176.6	170.3	0.6	112.5	A48 K49 Q55 Q56	A48-R52 VanDerWaalsContact O-CB 3.24Å; A48-R52 WeakPolarHBondContact O-CB 3.46Å; A48-R52 PolarHBondContact O-N 2.94Å; K49-R52 PolarHBondContact O-N 2.85Å; R52-Q55 PolarHBondContact O-N 3.3Å; R52-Q56 WeakPolarHBondContact O-CB 3.23Å; R52-Q56 VanDerWaalsContact O-CG 3.25Å; R52-Q56 WeakPolarHBondContact O-CG 3.41Å; R52-Q56 PolarHBondContact O-N 3.04Å
53	L	71.9	Confident	73.4	Confident	105 Å²	105	112 Å²	112	55%	0.55	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-38.9	175.1	-79.9	166.9	0	0	0	111.7	K49 L50 E51 Q56 N57	K49-L53 WeakPolarHBondContact O-CB 3.49Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.12Å; K49-L53 PolarHBondContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 3.2Å; E51-L53 PolarHBondContact O-N 2.93Å; L53-Q56 PolarHBondContact O-N 2.85Å; L53-N57 WeakPolarHBondContact O-CB 3.46Å; L53-N57 PolarHBondContact O-N 3.39Å
54	K	77	Confident	73.5	Confident	133 Å²	133	109.8 Å²	109.8	58%	0.578	53%	0.532	S	S	*	.	H	α-helix	trans	-64.6	-44.7	176.1	-171.6	-176.9	175.1	-170	0	110.9	L50 E51 N57 E58	L50-K54 WeakPolarHBondContact O-CB 3.39Å; L50-K54 PolarHBondContact O-N 3.04Å; E51-K54 PolarHBondContact O-N 3.44Å; K54-N57 WeakPolarHBondContact O-CB 3.29Å; K54-N57 PolarHBondContact O-N 3.01Å; K54-N57 VanDerWaalsContact O-N 3.13Å; K54-E58 PolarHBondContact O-N 2.88Å
55	Q	80.1	Confident	73.4	Confident	120 Å²	120	113.1 Å²	113.1	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-64.7	-40.1	177.2	-166.5	153.1	3.8	0	0	111.9	E51 R52 N57 E58 D59	E51-Q55 WeakPolarHBondContact O-CB 3.46Å; E51-Q55 PolarHBondContact O-N 3.46Å; R52-Q55 PolarHBondContact O-N 3.3Å; Q55-N57 VanDerWaalsContact C-N 3.29Å; Q55-N57 PolarHBondContact O-N 3.31Å; Q55-E58 PolarHBondContact O-N 2.88Å; Q55-D59 PolarHBondContact O-N 2.95Å
56	Q	71.4	Confident	72.8	Confident	67 Å²	67	111.5 Å²	111.5	31%	0.313	55%	0.545	S	S	.	.	H	α-helix	trans	-61	-37.4	171.6	-77.2	177.3	-35.5	0	0	112.7	R52 L53 L60	R52-Q56 WeakPolarHBondContact O-CB 3.23Å; R52-Q56 VanDerWaalsContact O-CG 3.25Å; R52-Q56 WeakPolarHBondContact O-CG 3.41Å; R52-Q56 PolarHBondContact O-N 3.04Å; L53-Q56 PolarHBondContact O-N 2.85Å; Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 WeakPolarHBondContact O-CG 3.49Å; Q56-L60 PolarHBondContact O-N 2.86Å
57	N	73.3	Confident	71.9	Confident	95 Å²	95	113.6 Å²	113.6	51%	0.508	56%	0.557	S	S	.	*	H	α-helix	trans	-72.7	-35.6	178.7	-142.2	-16.2	0	0	0	111.7	L53 K54 Q55 R61	L53-N57 WeakPolarHBondContact O-CB 3.46Å; L53-N57 PolarHBondContact O-N 3.39Å; K54-N57 WeakPolarHBondContact O-CB 3.29Å; K54-N57 PolarHBondContact O-N 3.01Å; K54-N57 VanDerWaalsContact O-N 3.13Å; Q55-N57 VanDerWaalsContact C-N 3.29Å; Q55-N57 PolarHBondContact O-N 3.31Å; N57-R61 WeakPolarHBondContact O-CG 3.41Å; N57-R61 PolarHBondContact O-N 2.86Å
58	E	76.1	Confident	70.7	Confident	87 Å²	87	118.7 Å²	118.7	41%	0.407	57%	0.569	S	S	.	*	H	α-helix	trans	-67.8	-41.5	172.8	-76.2	177.6	-171.1	0	0	112	K54 Q55 R61 R62	K54-E58 PolarHBondContact O-N 2.88Å; Q55-E58 PolarHBondContact O-N 2.88Å; E58-R61 PolarHBondContact O-N 2.95Å; E58-R62 WeakPolarHBondContact O-CG 3.15Å; E58-R62 PolarHBondContact O-N 3.35Å
59	D	72.8	Confident	69.5	Low	67 Å²	67	123 Å²	123	36%	0.358	58%	0.582	S	S	.	*	H	α-helix	trans	-66.5	-39.1	175.4	-78	-18.6	0	0	0	112.2	Q55 R61 R62 M63	Q55-D59 PolarHBondContact O-N 2.95Å; D59-R61 VanDerWaalsContact C-N 3.32Å; D59-R61 PolarHBondContact O-N 3.48Å; D59-R62 PolarHBondContact O-N 3.4Å; D59-M63 WeakPolarHBondContact O-CG 3.32Å; D59-M63 PolarHBondContact O-N 2.94Å
60	L	70.7	Confident	68	Low	110 Å²	110	121.4 Å²	121.4	58%	0.576	59%	0.587	S	S	*	*	H	α-helix	trans	-62.8	-38.9	172.5	-82.3	165.8	0	0	0	112.1	Q56 M63 A64	Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 WeakPolarHBondContact O-CG 3.49Å; Q56-L60 PolarHBondContact O-N 2.86Å; L60-M63 PolarHBondContact O-N 3.37Å; L60-A64 WeakPolarHBondContact O-CB 3.47Å; L60-A64 PolarHBondContact O-N 2.93Å
61	R	68.9	Low	66.5	Low	174 Å²	174	126.2 Å²	126.2	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-66.2	-41.7	174	-78.9	179.5	176.9	-173.2	-1.7	111.9	N57 E58 D59 A64 E65	N57-R61 WeakPolarHBondContact O-CG 3.41Å; N57-R61 PolarHBondContact O-N 2.86Å; E58-R61 PolarHBondContact O-N 2.95Å; D59-R61 VanDerWaalsContact C-N 3.32Å; D59-R61 PolarHBondContact O-N 3.48Å; R61-A64 CarbonylContact O-C 3.6Å; R61-A64 PolarHBondContact O-N 3.28Å; R61-E65 WeakPolarHBondContact O-CB 3.34Å; R61-E65 WeakPolarHBondContact O-CG 3.45Å; R61-E65 PolarHBondContact O-N 3.45Å
62	R	72	Confident	65	Low	164 Å²	164	122.2 Å²	122.2	62%	0.619	60%	0.602	S	S	*	*	H	α-helix	trans	-63.3	-40.8	174.5	-74.5	178.2	179.1	177.5	0.9	112.1	E58 D59 E65 S66	E58-R62 WeakPolarHBondContact O-CG 3.15Å; E58-R62 PolarHBondContact O-N 3.35Å; D59-R62 PolarHBondContact O-N 3.4Å; R62-E65 PolarHBondContact O-N 2.99Å; R62-S66 WeakPolarHBondContact O-CB 3.38Å; R62-S66 PolarHBondContact O-N 3.42Å
63	M	67.1	Low	63.2	Low	111 Å²	111	120.2 Å²	120.2	55%	0.547	61%	0.612	S	S	.	*	H	α-helix	trans	-62.8	-43.9	172.2	-75.3	-175.8	-142.6	0	0	111.2	D59 L60 E65 S66 L67	D59-M63 WeakPolarHBondContact O-CG 3.32Å; D59-M63 PolarHBondContact O-N 2.94Å; L60-M63 PolarHBondContact O-N 3.37Å; M63-E65 VanDerWaalsContact C-N 3.32Å; M63-E65 PolarHBondContact O-N 3.33Å; M63-S66 WeakPolarHBondContact CA-OG 3.31Å; M63-S66 PolarHBondContact O-N 3.11Å; M63-S66 PolarHBondContact O-OG 2.97Å; M63-L67 WeakPolarHBondContact O-CD1 3.22Å; M63-L67 VanDerWaalsContact O-CG 3.29Å; M63-L67 WeakPolarHBondContact O-CG 3.47Å; M63-L67 PolarHBondContact O-N 3.39Å; M63-L67 VanDerWaalsContact O-N 3.13Å
64	A	67.3	Low	62	Low	61 Å²	61	123.1 Å²	123.1	50%	0.504	63%	0.627	S	S	.	*	H	α-helix	trans	-63.3	-35.8	175.9	0	0	0	0	0	112.9	L60 R61 L67	L60-A64 WeakPolarHBondContact O-CB 3.47Å; L60-A64 PolarHBondContact O-N 2.93Å; R61-A64 CarbonylContact O-C 3.6Å; R61-A64 PolarHBondContact O-N 3.28Å; A64-L67 PolarHBondContact O-N 3.2Å
65	E	65.4	Low	60.2	Low	133 Å²	133	123.5 Å²	123.5	62%	0.621	64%	0.635	S	S	*	*	H	α-helix	trans	-71.5	-35.4	174.2	-78.6	175.6	164.9	0	0	112.4	R61 R62 M63 L67 R68	R61-E65 WeakPolarHBondContact O-CB 3.34Å; R61-E65 WeakPolarHBondContact O-CG 3.45Å; R61-E65 PolarHBondContact O-N 3.45Å; R62-E65 PolarHBondContact O-N 2.99Å; M63-E65 VanDerWaalsContact C-N 3.32Å; M63-E65 PolarHBondContact O-N 3.33Å; E65-L67 PolarHBondContact O-N 3.25Å; E65-R68 WeakPolarHBondContact O-CB 3.35Å; E65-R68 PolarHBondContact O-N 3.15Å; E65-R68 VanDerWaalsContact O-N 3.17Å
66	S	62.1	Low	58.6	Low	95 Å²	95	126.7 Å²	126.7	66%	0.664	65%	0.65	S	S	*	*	H	α-helix	trans	-68	-18.5	172.9	74.4	0	0	0	0	113.5	R62 M63	R62-S66 WeakPolarHBondContact O-CB 3.38Å; R62-S66 PolarHBondContact O-N 3.42Å; M63-S66 WeakPolarHBondContact CA-OG 3.31Å; M63-S66 PolarHBondContact O-N 3.11Å; M63-S66 PolarHBondContact O-OG 2.97Å
67	L	54.9	Low	57.7	Low	136 Å²	136	125.7 Å²	125.7	71%	0.712	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-2.2	175.4	-70.5	165.2	0	0	0	113.2	M63 A64 E65 I69	M63-L67 WeakPolarHBondContact O-CD1 3.22Å; M63-L67 VanDerWaalsContact O-CG 3.29Å; M63-L67 WeakPolarHBondContact O-CG 3.47Å; M63-L67 PolarHBondContact O-N 3.39Å; M63-L67 VanDerWaalsContact O-N 3.13Å; A64-L67 PolarHBondContact O-N 3.2Å; E65-L67 PolarHBondContact O-N 3.25Å; L67-I69 PolarHBondContact O-N 2.82Å; L67-I69 VanDerWaalsContact O-N 3.15Å
68	R	50	Low	56.7	Low	209 Å²	209	126.8 Å²	126.8	79%	0.789	67%	0.67	S	S	*	*			trans	-73.2	107.9	174	-121.5	178.1	176	174.5	-2.8	109.1	E65	E65-R68 WeakPolarHBondContact O-CB 3.35Å; E65-R68 PolarHBondContact O-N 3.15Å; E65-R68 VanDerWaalsContact O-N 3.17Å
69	I	51.9	Low	55.8	Low	147 Å²	147	126 Å²	126	75%	0.754	68%	0.678	S	S	*	*			trans	-57.8	127.1	174.1	-57.2	171.1	0	0	0	108.6	L67 E71	L67-I69 PolarHBondContact O-N 2.82Å; L67-I69 VanDerWaalsContact O-N 3.15Å; I69-E71 PolarHBondContact O-N 2.72Å
70	P	46.2	Very low	55	Low	117 Å²	117	129.6 Å²	129.6	76%	0.76	70%	0.696	S	S	*	*			trans	-66.1	115.7	167.1	-13.1	27.1	0	0	0	108.6	G72	P70-G72 PolarHBondContact O-N 2.94Å
71	E	42.8	Very low	54.5	Low	206 Å²	206	126.7 Å²	126.7	96%	0.963	69%	0.692	S	S	*	*			trans	-70	84.6	166.7	-73.4	-174.8	168.2	0	0	108.6	I69	I69-E71 PolarHBondContact O-N 2.72Å
72	G	44.2	Very low	54	Low	52 Å²	52	126.5 Å²	126.5	54%	0.536	69%	0.692	S	S	.	*			trans	-116.4	156.7	171.2	0	0	0	0	0	111.2	P70	P70-G72 PolarHBondContact O-N 2.94Å
73	P	41.9	Very low	53.8	Low	136 Å²	136	122.3 Å²	122.3	88%	0.883	68%	0.684	S	S	*	*			trans	-67.4	145.3	-163.2	-14.5	28.8	0	0	0	113.3	D75	P73-D75 PolarHBondContact O-N 2.8Å
74	I	46.4	Very low	53.8	Low	166 Å²	166	125.9 Å²	125.9	85%	0.851	69%	0.691	S	S	*	*			trans	-68	116.9	-176.5	-60.6	161.2	0	0	0	109.8
75	D	38.1	Very low	54.1	Low	140 Å²	140	126.6 Å²	126.6	75%	0.749	69%	0.689	S	S	*	*			trans	-119.6	135.5	165.9	-151.7	2.4	0	0	0	111.5	P73 G77	P73-D75 PolarHBondContact O-N 2.8Å; D75-G77 PolarHBondContact O-N 2.85Å
76	Q	47.7	Very low	54.4	Low	188 Å²	188	125.3 Å²	125.3	88%	0.879	69%	0.686	S	S	*	*			trans	-82.2	111.6	-160.1	-65.6	179	1.3	0	0	112
77	G	52.8	Low	54.8	Low	46 Å²	46	126.3 Å²	126.3	47%	0.474	68%	0.68	S	S	.	*			trans	-147	155	169.5	0	0	0	0	0	111.1	D75 A79	D75-G77 PolarHBondContact O-N 2.85Å; G77-A79 PolarHBondContact O-N 3.39Å
78	P	52.1	Low	55.7	Low	118 Å²	118	126 Å²	126	77%	0.766	68%	0.675	S	S	*	*			trans	-64.4	119.3	-159.6	23.5	-31.8	0	0	0	112.7	I80	P78-I80 PolarHBondContact O-N 3.37Å
79	A	57.3	Low	56.9	Low	69 Å²	69	121.7 Å²	121.7	57%	0.57	66%	0.664	S	S	*	*	H	α-helix	trans	-57.4	-22.1	-171.8	0	0	0	0	0	115.1	G77 G81 R82 V83	G77-A79 PolarHBondContact O-N 3.39Å; A79-G81 PolarHBondContact O-N 2.87Å; A79-R82 PolarHBondContact O-N 2.79Å; A79-V83 VanDerWaalsContact O-CG2 3.31Å; A79-V83 WeakPolarHBondContact O-CG2 3.41Å; A79-V83 PolarHBondContact O-N 2.88Å
80	I	56.1	Low	58	Low	143 Å²	143	119.4 Å²	119.4	73%	0.733	65%	0.653	S	S	*	*	H	α-helix	trans	-69.2	-36.5	-171.2	-62.9	168.4	0	0	0	112.5	P78 R84	P78-I80 PolarHBondContact O-N 3.37Å; I80-R84 PolarHBondContact O-N 3.27Å
81	G	59.3	Low	59.7	Low	49 Å²	49	117.5 Å²	117.5	51%	0.505	64%	0.639	S	S	.	*	H	α-helix	trans	-70.6	-36	179.9	0	0	0	0	0	113.2	A79 V85	A79-G81 PolarHBondContact O-N 2.87Å; G81-V85 WeakPolarHBondContact O-CG2 3.47Å; G81-V85 PolarHBondContact O-N 3Å
82	R	58.5	Low	61.2	Low	171 Å²	171	114.3 Å²	114.3	65%	0.645	62%	0.622	S	S	*	*	H	α-helix	trans	-72.1	-37.3	178.3	-73.9	-178.9	-180	166	1.3	112.2	A79 R84 V85 L86	A79-R82 PolarHBondContact O-N 2.79Å; R82-R84 VanDerWaalsContact C-N 3.34Å; R82-R84 PolarHBondContact O-N 2.8Å; R82-V85 PolarHBondContact O-N 3.37Å; R82-L86 WeakPolarHBondContact O-CB 3.34Å; R82-L86 WeakPolarHBondContact O-CD1 3.32Å; R82-L86 VanDerWaalsContact O-CG 3.25Å; R82-L86 WeakPolarHBondContact O-CG 3.2Å; R82-L86 PolarHBondContact O-N 3.4Å
83	V	66.9	Low	62.6	Low	75 Å²	75	113.6 Å²	113.6	46%	0.455	61%	0.611	S	S	.	*	H	α-helix	trans	-62.3	-42.6	177.6	173.6	0	0	0	0	110.9	A79 L86 E87	A79-V83 VanDerWaalsContact O-CG2 3.31Å; A79-V83 WeakPolarHBondContact O-CG2 3.41Å; A79-V83 PolarHBondContact O-N 2.88Å; V83-L86 PolarHBondContact O-N 3.18Å; V83-E87 HydrophobicContact CG1-CG 4.45Å; V83-E87 WeakPolarHBondContact O-CB 3.46Å; V83-E87 WeakPolarHBondContact O-CG 3.4Å; V83-E87 PolarHBondContact O-N 3.01Å
84	R	68.5	Low	64.2	Low	187 Å²	187	113.4 Å²	113.4	71%	0.706	60%	0.596	S	S	*	*	H	α-helix	trans	-65.2	-41	179.3	-131.9	178.3	-174.2	176.1	0.5	113.2	I80 R82 E87 E88	I80-R84 PolarHBondContact O-N 3.27Å; R82-R84 VanDerWaalsContact C-N 3.34Å; R82-R84 PolarHBondContact O-N 2.8Å; R84-E87 PolarHBondContact O-N 2.92Å; R84-E88 PolarHBondContact O-N 3.5Å
85	V	72.4	Confident	65.4	Low	75 Å²	75	111 Å²	111	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-67.1	-40.1	176	173.9	0	0	0	0	110.9	G81 R82 E88 Q89	G81-V85 WeakPolarHBondContact O-CG2 3.47Å; G81-V85 PolarHBondContact O-N 3Å; R82-V85 PolarHBondContact O-N 3.37Å; V85-E88 PolarHBondContact O-N 3.39Å; V85-Q89 WeakPolarHBondContact O-CB 3.45Å; V85-Q89 VanDerWaalsContact O-CG 3.29Å; V85-Q89 WeakPolarHBondContact O-CG 3.34Å; V85-Q89 PolarHBondContact O-N 2.88Å
86	L	71.8	Confident	67	Low	107 Å²	107	111 Å²	111	56%	0.56	58%	0.577	S	S	*	*	H	α-helix	trans	-67.7	-35.6	175.7	-74.5	166.1	0	0	0	112.2	R82 V83 Q89 L90	R82-L86 WeakPolarHBondContact O-CB 3.34Å; R82-L86 WeakPolarHBondContact O-CD1 3.32Å; R82-L86 VanDerWaalsContact O-CG 3.25Å; R82-L86 WeakPolarHBondContact O-CG 3.2Å; R82-L86 PolarHBondContact O-N 3.4Å; V83-L86 PolarHBondContact O-N 3.18Å; L86-Q89 PolarHBondContact O-N 3.47Å; L86-L90 VanDerWaalsContact O-CB 3.25Å; L86-L90 WeakPolarHBondContact O-CB 3.44Å; L86-L90 PolarHBondContact O-N 2.68Å
87	E	71.6	Confident	68	Low	115 Å²	115	106.7 Å²	106.7	54%	0.537	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-46.6	173.2	-79.7	177.5	164.4	0	0	111.7	V83 R84 Q89 L90 V91	V83-E87 HydrophobicContact CG1-CG 4.45Å; V83-E87 WeakPolarHBondContact O-CB 3.46Å; V83-E87 WeakPolarHBondContact O-CG 3.4Å; V83-E87 PolarHBondContact O-N 3.01Å; R84-E87 PolarHBondContact O-N 2.92Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 2.86Å; E87-L90 PolarHBondContact O-N 3.21Å; E87-V91 VanDerWaalsContact O-CG2 3.32Å; E87-V91 WeakPolarHBondContact O-CG2 3.36Å; E87-V91 PolarHBondContact O-N 2.73Å
88	E	73.3	Confident	68.6	Low	131 Å²	131	110.4 Å²	110.4	61%	0.612	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-41.4	175	-82.5	-176.9	167.8	0	0	112.2	R84 V85 V91 K92	R84-E88 PolarHBondContact O-N 3.5Å; V85-E88 PolarHBondContact O-N 3.39Å; E88-V91 PolarHBondContact O-N 3.49Å; E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 3.34Å
89	Q	75.5	Confident	69.1	Low	118 Å²	118	107.8 Å²	107.8	55%	0.551	54%	0.543	S	S	*	.	H	α-helix	trans	-65.6	-38.9	175.8	-75.1	179.1	-10.4	0	0	112	V85 L86 E87 A93	V85-Q89 WeakPolarHBondContact O-CB 3.45Å; V85-Q89 VanDerWaalsContact O-CG 3.29Å; V85-Q89 WeakPolarHBondContact O-CG 3.34Å; V85-Q89 PolarHBondContact O-N 2.88Å; L86-Q89 PolarHBondContact O-N 3.47Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 2.86Å; Q89-A93 VanDerWaalsContact O-CB 3.25Å; Q89-A93 WeakPolarHBondContact O-CB 3.23Å; Q89-A93 PolarHBondContact O-N 2.84Å
90	L	75.6	Confident	69.1	Low	98 Å²	98	111 Å²	111	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-67.1	-39.2	177.1	-168.3	85.5	0	0	0	111.8	L86 E87 A93 K94	L86-L90 VanDerWaalsContact O-CB 3.25Å; L86-L90 WeakPolarHBondContact O-CB 3.44Å; L86-L90 PolarHBondContact O-N 2.68Å; E87-L90 PolarHBondContact O-N 3.21Å; L90-A93 PolarHBondContact O-N 3Å; L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 WeakPolarHBondContact O-CG 3.5Å; L90-K94 PolarHBondContact O-N 3.21Å
91	V	80.2	Confident	69.1	Low	78 Å²	78	111.2 Å²	111.2	47%	0.473	54%	0.537	S	S	.	.	H	α-helix	trans	-64.7	-49.6	176.2	171.2	0	0	0	0	110.2	E87 E88 A93 K94 E95	E87-V91 VanDerWaalsContact O-CG2 3.32Å; E87-V91 WeakPolarHBondContact O-CG2 3.36Å; E87-V91 PolarHBondContact O-N 2.73Å; E88-V91 PolarHBondContact O-N 3.49Å; V91-A93 VanDerWaalsContact C-N 3.31Å; V91-A93 PolarHBondContact O-N 3.25Å; V91-K94 PolarHBondContact O-N 3.15Å; V91-K94 VanDerWaalsContact O-N 3.16Å; V91-E95 PolarHBondContact O-N 2.89Å
92	K	75.1	Confident	68.9	Low	138 Å²	138	114.1 Å²	114.1	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-58.9	-41.6	175.5	-76.4	-177.8	176.6	179.5	0	112.4	E88 E95 Q96	E88-K92 WeakPolarHBondContact O-CG 3.49Å; E88-K92 PolarHBondContact O-N 3.34Å; K92-E95 PolarHBondContact O-N 2.97Å; K92-Q96 WeakPolarHBondContact O-CB 3.45Å; K92-Q96 VanDerWaalsContact O-CG 3.3Å; K92-Q96 WeakPolarHBondContact O-CG 3.48Å; K92-Q96 PolarHBondContact O-N 3.32Å
93	A	73.3	Confident	68.7	Low	38 Å²	38	112.7 Å²	112.7	31%	0.314	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-38.6	177.4	0	0	0	0	0	112.2	Q89 L90 V91 Q96 I97	Q89-A93 VanDerWaalsContact O-CB 3.25Å; Q89-A93 WeakPolarHBondContact O-CB 3.23Å; Q89-A93 PolarHBondContact O-N 2.84Å; L90-A93 PolarHBondContact O-N 3Å; V91-A93 VanDerWaalsContact C-N 3.31Å; V91-A93 PolarHBondContact O-N 3.25Å; A93-Q96 PolarHBondContact O-N 3.41Å; A93-I97 WeakPolarHBondContact O-CB 3.4Å; A93-I97 WeakPolarHBondContact O-CD1 3.38Å; A93-I97 WeakPolarHBondContact O-CG1 3.4Å; A93-I97 PolarHBondContact O-N 2.92Å
94	K	74.7	Confident	67.9	Low	132 Å²	132	113.9 Å²	113.9	57%	0.574	54%	0.544	S	S	*	.	H	α-helix	trans	-64.3	-43.6	174.8	-80.9	177.9	177.9	178.7	0	111.8	L90 V91 I97 E98	L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 WeakPolarHBondContact O-CG 3.5Å; L90-K94 PolarHBondContact O-N 3.21Å; V91-K94 PolarHBondContact O-N 3.15Å; V91-K94 VanDerWaalsContact O-N 3.16Å; K94-I97 PolarHBondContact O-N 3.5Å; K94-E98 PolarHBondContact O-N 3.17Å
95	E	73.6	Confident	67.2	Low	115 Å²	115	115.1 Å²	115.1	54%	0.537	55%	0.549	S	S	.	.	H	α-helix	trans	-62.3	-43.3	174.9	-74	176.8	165.9	0	0	111.5	V91 K92 I97 E98 N99	V91-E95 PolarHBondContact O-N 2.89Å; K92-E95 PolarHBondContact O-N 2.97Å; E95-I97 PolarHBondContact O-N 2.98Å; E95-E98 PolarHBondContact O-N 3.37Å; E95-N99 WeakPolarHBondContact O-CB 3.41Å; E95-N99 PolarHBondContact O-N 3.11Å
96	Q	70.7	Confident	66.6	Low	139 Å²	139	120 Å²	120	65%	0.65	57%	0.573	S	S	*	*	H	α-helix	trans	-61.5	-42.8	175.2	-76.7	178.7	-13.6	0	0	112.3	K92 A93 N99 Y100	K92-Q96 WeakPolarHBondContact O-CB 3.45Å; K92-Q96 VanDerWaalsContact O-CG 3.3Å; K92-Q96 WeakPolarHBondContact O-CG 3.48Å; K92-Q96 PolarHBondContact O-N 3.32Å; A93-Q96 PolarHBondContact O-N 3.41Å; Q96-N99 PolarHBondContact O-N 3.29Å; Q96-Y100 WeakPolarHBondContact O-CB 3.5Å; Q96-Y100 PolarHBondContact O-N 3.35Å
97	I	68.1	Low	66.7	Low	98 Å²	98	117.7 Å²	117.7	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-67.4	-40	177.3	-69.9	166.3	0	0	0	111.4	A93 K94 E95 Y100 K101	A93-I97 WeakPolarHBondContact O-CB 3.4Å; A93-I97 WeakPolarHBondContact O-CD1 3.38Å; A93-I97 WeakPolarHBondContact O-CG1 3.4Å; A93-I97 PolarHBondContact O-N 2.92Å; K94-I97 PolarHBondContact O-N 3.5Å; E95-I97 PolarHBondContact O-N 2.98Å; I97-Y100 PolarHBondContact O-N 3.49Å; I97-K101 HydrophobicContact CG2-CD 4.44Å; I97-K101 WeakPolarHBondContact O-CB 3.22Å; I97-K101 WeakPolarHBondContact O-CG 3.44Å; I97-K101 PolarHBondContact O-N 2.93Å
98	E	66.4	Low	67.5	Low	124 Å²	124	118.8 Å²	118.8	58%	0.579	58%	0.583	S	S	*	*	H	α-helix	trans	-65.4	-42	174	-83.6	-155.3	149.9	0	0	112.2	K94 E95 Y100 K101 K102	K94-E98 PolarHBondContact O-N 3.17Å; E95-E98 PolarHBondContact O-N 3.37Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3.49Å; E98-K101 CarbonylContact O-C 3.56Å; E98-K101 PolarHBondContact O-N 3.31Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 3.46Å
99	N	61.7	Low	68.3	Low	63 Å²	63	113.5 Å²	113.5	34%	0.337	56%	0.564	S	S	.	*	H	α-helix	trans	-63	-39.5	174.6	-80	-5.9	0	0	0	111.5	E95 Q96 K101 K102 Q103	E95-N99 WeakPolarHBondContact O-CB 3.41Å; E95-N99 PolarHBondContact O-N 3.11Å; Q96-N99 PolarHBondContact O-N 3.29Å; N99-K101 PolarHBondContact O-N 2.96Å; N99-K102 PolarHBondContact O-N 3.4Å; N99-Q103 PolarHBondContact O-N 2.89Å
100	Y	57.3	Low	69.2	Low	138 Å²	138	115.4 Å²	115.4	54%	0.541	57%	0.571	S	S	.	*	H	α-helix	trans	-65.3	-37.9	174.4	-138.2	-89.8	0	0	0	112.5	Q96 I97 E98 T104	Q96-Y100 WeakPolarHBondContact O-CB 3.5Å; Q96-Y100 PolarHBondContact O-N 3.35Å; I97-Y100 PolarHBondContact O-N 3.49Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3.49Å; Y100-T104 PolarHBondContact O-N 3.4Å; Y100-T104 PolarHBondContact O-OG1 2.93Å
101	K	56.9	Low	70.2	Confident	146 Å²	146	114 Å²	114	64%	0.635	56%	0.563	S	S	*	*	H	α-helix	trans	-68.8	-30.1	173	-78.5	-180	178.4	178.2	0	112.9	I97 E98 N99 T104	I97-K101 HydrophobicContact CG2-CD 4.44Å; I97-K101 WeakPolarHBondContact O-CB 3.22Å; I97-K101 WeakPolarHBondContact O-CG 3.44Å; I97-K101 PolarHBondContact O-N 2.93Å; E98-K101 CarbonylContact O-C 3.56Å; E98-K101 PolarHBondContact O-N 3.31Å; N99-K101 PolarHBondContact O-N 2.96Å; K101-T104 WeakPolarHBondContact CA-OG1 3.31Å; K101-T104 PolarHBondContact O-OG1 3.28Å
102	K	55.8	Low	70.9	Confident	111 Å²	111	113.2 Å²	113.2	48%	0.483	56%	0.555	S	S	.	*	H	α-helix	trans	-73.7	-41.4	173.7	-77.6	-179.5	-179.6	178.9	0	111.7	E98 N99 T104 R105	E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 3.46Å; N99-K102 PolarHBondContact O-N 3.4Å; K102-T104 PolarHBondContact O-N 2.94Å; K102-T104 VanDerWaalsContact O-N 3.14Å; K102-R105 PolarHBondContact O-N 3.17Å
103	Q	53.8	Low	72	Confident	140 Å²	140	108.2 Å²	108.2	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-61.1	-20.8	175.9	-85.5	-175.7	-15.5	0	0	114.1	N99	N99-Q103 PolarHBondContact O-N 2.89Å
104	T	48.8	Very low	73.1	Confident	101 Å²	101	109.2 Å²	109.2	62%	0.62	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.2	179.4	21	0	0	0	0	114.3	Y100 K101 K102	Y100-T104 PolarHBondContact O-N 3.4Å; Y100-T104 PolarHBondContact O-OG1 2.93Å; K101-T104 WeakPolarHBondContact CA-OG1 3.31Å; K101-T104 PolarHBondContact O-OG1 3.28Å; K102-T104 PolarHBondContact O-N 2.94Å; K102-T104 VanDerWaalsContact O-N 3.14Å
105	R	54	Low	74.3	Confident	212 Å²	212	103.8 Å²	103.8	80%	0.8	51%	0.51	S	S	*	.			trans	-96.3	109.7	169.6	-82.4	-177.2	168	-179.5	-2.9	110	K102 G107	K102-R105 PolarHBondContact O-N 3.17Å; R105-G107 PolarHBondContact O-N 2.67Å
106	N	59.7	Low	75.4	Confident	179 Å²	179	102.7 Å²	102.7	96%	0.957	50%	0.501	S	S	*	.			trans	-68	51.8	170.4	-72.4	-23.6	0	0	0	112.5
107	G	75.1	Confident	76.8	Confident	57 Å²	57	101.8 Å²	101.8	59%	0.588	49%	0.491	S	S	*	.	S	Bend	trans	-137	163.2	179.2	0	0	0	0	0	111.3	R105 G109	R105-G107 PolarHBondContact O-N 2.67Å; G107-G109 PolarHBondContact O-N 2.65Å
108	L	87.7	Confident	78.2	Confident	138 Å²	138	103 Å²	103	72%	0.723	49%	0.49	S	S	*	.			trans	-63.2	132.7	174.1	-68.9	169.3	0	0	0	109.8	E113	L108-E113 HydrophobicContact CB-CG 4.05Å; L108-E113 HydrophobicContact CD1-CG 4.33Å
109	G	91.3	Very high	79.7	Confident	21 Å²	21	98.3 Å²	98.3	22%	0.216	47%	0.468	C	S	.	.			trans	-67.1	143.2	177.9	0	0	0	0	0	111.6	G107 D111 E113 D174	G107-G109 PolarHBondContact O-N 2.65Å; G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.16Å; G109-E113 PolarHBondContact O-N 2.88Å; G109-D174 VanDerWaalsContact CA-OD2 3.26Å; G109-D174 WeakPolarHBondContact CA-OD2 3.35Å
110	K	94.4	Very high	81.5	Confident	158 Å²	158	99.4 Å²	99.4	69%	0.687	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-45.2	-175.2	177.3	-174.1	170.7	-170.1	0	110.9	E113 I114	K110-E113 PolarHBondContact O-N 3.35Å; K110-I114 HydrophobicContact CD-CD1 4.39Å; K110-I114 HydrophobicContact CG-CD1 3.82Å; K110-I114 WeakPolarHBondContact O-CG1 3.38Å; K110-I114 PolarHBondContact O-N 2.74Å
111	D	94.8	Very high	83.4	Confident	68 Å²	68	96.8 Å²	96.8	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-72.4	-38.8	-173.4	-63.9	-29.3	0	0	0	111	G109 E113 I114 L115 T173	G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.16Å; D111-E113 PolarHBondContact O-N 3.46Å; D111-I114 PolarHBondContact O-N 2.92Å; D111-L115 WeakPolarHBondContact O-CB 3.43Å; D111-L115 WeakPolarHBondContact O-CG 3.34Å; D111-L115 PolarHBondContact O-N 3.33Å; D111-T173 WeakPolarHBondContact CB-OG1 3.32Å
112	H	95.8	Very high	85.4	Confident	62 Å²	62	90.5 Å²	90.5	29%	0.287	44%	0.444	S	S	.	.	H	α-helix	trans	-52.2	-51.7	168.2	176.9	-79.8	0	0	0	112.2	I114 L115 R116 L170 T173 D174	H112-I114 PolarHBondContact O-N 3.09Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-R116 VanDerWaalsContact O-CB 3.29Å; H112-R116 WeakPolarHBondContact O-CB 3.41Å; H112-R116 PolarHBondContact O-N 3.5Å; H112-L170 HydrophobicContact CB-CD1 4.41Å; H112-L170 VanDerWaalsContact CD2-CD1 3.49Å; H112-L170 WeakPolarHBondContact CD2-CD1 3.47Å; H112-T173 HydrophobicContact CB-CG2 3.87Å; H112-D174 WeakPolarHBondContact CB-OD2 3.48Å; H112-D174 PolarHBondContact N-OD2 2.56Å
113	E	97.4	Very high	87.5	Confident	32 Å²	32	87.6 Å²	87.6	15%	0.15	44%	0.44	C	S	.	.	H	α-helix	trans	-68.5	-32	-177.7	-79.8	-54.4	108.9	0	0	113.7	L108 G109 K110 D111 R116 R117	L108-E113 HydrophobicContact CB-CG 4.05Å; L108-E113 HydrophobicContact CD1-CG 4.33Å; G109-E113 PolarHBondContact O-N 2.88Å; K110-E113 PolarHBondContact O-N 3.35Å; D111-E113 PolarHBondContact O-N 3.46Å; E113-R116 IonicContact OE1-NE 2.65Å; E113-R116 PolarHBondContact OE1-NE 2.84Å; E113-R116 IonicContact OE2-CZ 3.18Å; E113-R116 IonicContact OE2-NE 3.6Å; E113-R116 PolarHBondContact OE2-NE 3.45Å; E113-R116 IonicContact OE2-NH2 2.82Å; E113-R116 PolarHBondContact OE2-NH2 3.38Å; E113-R117 WeakPolarHBondContact O-CG 3.44Å; E113-R117 PolarHBondContact O-N 2.96Å; E113-R117 PolarHBondContact O-NE 2.74Å; E113-R117 PolarHBondContact O-NH1 2.98Å; E113-R117 PolarHBondContact O-NH2 2.98Å; E113-R117 IonicContact OE2-NH1 2.65Å; E113-R117 PolarHBondContact OE2-NH1 3.07Å
114	I	97.9	Very high	89.6	Confident	60 Å²	60	85.8 Å²	85.8	31%	0.308	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-49.9	173.5	-71	169.9	0	0	0	110.4	K110 D111 H112 R117 R118	K110-I114 HydrophobicContact CD-CD1 4.39Å; K110-I114 HydrophobicContact CG-CD1 3.82Å; K110-I114 WeakPolarHBondContact O-CG1 3.38Å; K110-I114 PolarHBondContact O-N 2.74Å; D111-I114 PolarHBondContact O-N 2.92Å; H112-I114 PolarHBondContact O-N 3.09Å; I114-R117 PolarHBondContact O-N 2.75Å; I114-R118 WeakPolarHBondContact O-CB 3.39Å; I114-R118 PolarHBondContact O-N 3.14Å
115	L	98.1	Very high	92	Very high	17 Å²	17	85 Å²	85	9%	0.089	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-45.2	-179.1	-72.2	166.1	0	0	0	111.1	D111 H112 R117 R118 I119 D166 L170 T173	D111-L115 WeakPolarHBondContact O-CB 3.43Å; D111-L115 WeakPolarHBondContact O-CG 3.34Å; D111-L115 PolarHBondContact O-N 3.33Å; H112-L115 PolarHBondContact O-N 3.4Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.19Å; L115-R118 PolarHBondContact O-N 3.32Å; L115-R118 VanDerWaalsContact O-N 3.11Å; L115-I119 WeakPolarHBondContact O-CD1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.39Å; L115-I119 PolarHBondContact O-N 3.25Å; L115-D166 HydrophobicContact CD2-CB 4.34Å; L115-L170 HydrophobicContact CB-CB 4.35Å; L115-L170 HydrophobicContact CB-CD1 4.16Å; L115-T173 HydrophobicContact CD1-CG2 4.31Å
116	R	98.4	Very high	94.1	Very high	93 Å²	93	76.5 Å²	76.5	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-54.7	-47.1	175.7	-171.8	-168.6	64.2	69.7	-2	112	H112 E113 E120	H112-R116 VanDerWaalsContact O-CB 3.29Å; H112-R116 WeakPolarHBondContact O-CB 3.41Å; H112-R116 PolarHBondContact O-N 3.5Å; E113-R116 IonicContact OE1-NE 2.65Å; E113-R116 PolarHBondContact OE1-NE 2.84Å; E113-R116 IonicContact OE2-CZ 3.18Å; E113-R116 IonicContact OE2-NE 3.6Å; E113-R116 PolarHBondContact OE2-NE 3.45Å; E113-R116 IonicContact OE2-NH2 2.82Å; E113-R116 PolarHBondContact OE2-NH2 3.38Å; R116-E120 IonicContact NH1-OE2 3.26Å; R116-E120 PolarHBondContact O-N 3.45Å; R116-E120 VanDerWaalsContact O-N 3.09Å
117	R	98.4	Very high	95.9	Very high	119 Å²	119	74.9 Å²	74.9	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-35.5	177.5	-76	-172.7	-69.5	-86	-2.5	112.8	E113 I114 L115 E120 N121	E113-R117 WeakPolarHBondContact O-CG 3.44Å; E113-R117 PolarHBondContact O-N 2.96Å; E113-R117 PolarHBondContact O-NE 2.74Å; E113-R117 PolarHBondContact O-NH1 2.98Å; E113-R117 PolarHBondContact O-NH2 2.98Å; E113-R117 IonicContact OE2-NH1 2.65Å; E113-R117 PolarHBondContact OE2-NH1 3.07Å; I114-R117 PolarHBondContact O-N 2.75Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.19Å; R117-E120 PolarHBondContact O-N 2.6Å; R117-N121 WeakPolarHBondContact O-CB 3.24Å; R117-N121 PolarHBondContact O-N 3.34Å
118	R	98.3	Very high	97.1	Very high	124 Å²	124	77.6 Å²	77.6	47%	0.468	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-42.9	176.7	-171.7	-173.6	-67.5	159.2	-0.4	111.3	I114 L115 E120 N121 G122 D166	I114-R118 WeakPolarHBondContact O-CB 3.39Å; I114-R118 PolarHBondContact O-N 3.14Å; L115-R118 PolarHBondContact O-N 3.32Å; L115-R118 VanDerWaalsContact O-N 3.11Å; R118-E120 VanDerWaalsContact C-N 3.34Å; R118-E120 PolarHBondContact O-N 3.06Å; R118-N121 PolarHBondContact O-N 3.43Å; R118-G122 PolarHBondContact O-N 3.5Å; R118-D166 WeakPolarHBondContact CD-OD1 3.32Å; R118-D166 WeakPolarHBondContact CD-OD2 3.37Å; R118-D166 WeakPolarHBondContact CG-OD2 3.43Å; R118-D166 IonicContact NH1-OD1 3.76Å; R118-D166 PolarHBondContact NH1-OD1 3.23Å
119	I	98.7	Very high	97.6	Very high	26 Å²	26	73.6 Å²	73.6	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-47.2	173.4	-67.9	157.5	0	0	0	110.2	L115 N121 G122 A123 I163 D166 L167 L170	L115-I119 WeakPolarHBondContact O-CD1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.39Å; L115-I119 PolarHBondContact O-N 3.25Å; I119-N121 PolarHBondContact O-N 3.23Å; I119-G122 PolarHBondContact O-N 3.09Å; I119-A123 WeakPolarHBondContact O-CB 3.44Å; I119-A123 PolarHBondContact O-N 3.43Å; I119-I163 HydrophobicContact CG2-CG2 4.21Å; I119-D166 HydrophobicContact CD1-CB 4.22Å; I119-D166 HydrophobicContact CG1-CB 3.67Å; I119-L167 HydrophobicContact CD1-CD2 3.79Å; I119-L167 HydrophobicContact CD1-CG 3.96Å; I119-L167 HydrophobicContact CG1-CG 4.34Å; I119-L167 HydrophobicContact CG2-CD2 4.34Å; I119-L167 HydrophobicContact CG2-CG 4.44Å; I119-L170 HydrophobicContact CD1-CB 4.2Å; I119-L170 HydrophobicContact CD1-CD2 3.76Å
120	E	98.6	Very high	97.9	Very high	86 Å²	86	74.7 Å²	74.7	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-45	178.4	-170.6	-170.9	168	0	0	112	R116 R117 R118 K124	R116-E120 IonicContact NH1-OE2 3.26Å; R116-E120 PolarHBondContact O-N 3.45Å; R116-E120 VanDerWaalsContact O-N 3.09Å; R117-E120 PolarHBondContact O-N 2.6Å; R118-E120 VanDerWaalsContact C-N 3.34Å; R118-E120 PolarHBondContact O-N 3.06Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 2.83Å; E120-K124 VanDerWaalsContact O-N 3.16Å; E120-K124 WeakPolarHBondContact OE1-CE 3.23Å; E120-K124 IonicContact OE1-NZ 3.93Å; E120-K124 PolarHBondContact OE1-NZ 2.76Å
121	N	98.5	Very high	98.1	Very high	83 Å²	83	71.7 Å²	71.7	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-42.3	176.4	176	-116.9	0	0	0	111.8	R117 R118 I119 A123 K124 E125	R117-N121 WeakPolarHBondContact O-CB 3.24Å; R117-N121 PolarHBondContact O-N 3.34Å; R118-N121 PolarHBondContact O-N 3.43Å; I119-N121 PolarHBondContact O-N 3.23Å; N121-A123 VanDerWaalsContact C-N 3.29Å; N121-A123 PolarHBondContact O-N 2.83Å; N121-K124 WeakPolarHBondContact O-CA 3.24Å; N121-K124 WeakPolarHBondContact O-CB 3.08Å; N121-K124 PolarHBondContact O-N 3.16Å; N121-E125 PolarHBondContact ND2-OE1 3.49Å; N121-E125 WeakPolarHBondContact O-CG 3.39Å; N121-E125 PolarHBondContact O-N 3.08Å
122	G	98.5	Very high	98.3	Very high	14 Å²	14	70.9 Å²	70.9	14%	0.144	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-41.7	175.8	0	0	0	0	0	112.3	R118 I119 E125 L126 H159	R118-G122 PolarHBondContact O-N 3.5Å; I119-G122 PolarHBondContact O-N 3.09Å; G122-E125 PolarHBondContact O-N 3.13Å; G122-L126 WeakPolarHBondContact O-CB 3.44Å; G122-L126 PolarHBondContact O-N 3.42Å; G122-H159 PolarHBondContact O-NE2 3.25Å
123	A	98.6	Very high	98.4	Very high	50 Å²	50	68.7 Å²	68.7	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-36.1	173.8	0	0	0	0	0	113	I119 N121 W127	I119-A123 WeakPolarHBondContact O-CB 3.44Å; I119-A123 PolarHBondContact O-N 3.43Å; N121-A123 VanDerWaalsContact C-N 3.29Å; N121-A123 PolarHBondContact O-N 2.83Å; A123-W127 WeakPolarHBondContact O-CB 3.28Å; A123-W127 PolarHBondContact O-N 3.34Å
124	K	98.5	Very high	98.4	Very high	101 Å²	101	71.4 Å²	71.4	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-45.1	174.1	-71.7	169.6	-173.1	168.7	0	111.7	E120 N121 L126 W127 F128	E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 2.83Å; E120-K124 VanDerWaalsContact O-N 3.16Å; E120-K124 WeakPolarHBondContact OE1-CE 3.23Å; E120-K124 IonicContact OE1-NZ 3.93Å; E120-K124 PolarHBondContact OE1-NZ 2.76Å; N121-K124 WeakPolarHBondContact O-CA 3.24Å; N121-K124 WeakPolarHBondContact O-CB 3.08Å; N121-K124 PolarHBondContact O-N 3.16Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-W127 WeakPolarHBondContact O-CB 3.48Å; K124-W127 PolarHBondContact O-N 3.07Å; K124-F128 HydrophobicContact CB-CE2 4.42Å; K124-F128 WeakPolarHBondContact O-CD2 3.46Å; K124-F128 WeakPolarHBondContact O-CG 3.35Å; K124-F128 PolarHBondContact O-N 3.14Å
125	E	98.7	Very high	98.4	Very high	85 Å²	85	75.8 Å²	75.8	40%	0.397	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-39.6	176.5	-64	-51.8	147	0	0	111.5	N121 G122 W127 F128 F129	N121-E125 PolarHBondContact ND2-OE1 3.49Å; N121-E125 WeakPolarHBondContact O-CG 3.39Å; N121-E125 PolarHBondContact O-N 3.08Å; G122-E125 PolarHBondContact O-N 3.13Å; E125-W127 VanDerWaalsContact C-N 3.28Å; E125-W127 PolarHBondContact O-N 3.47Å; E125-F128 PolarHBondContact O-N 2.88Å; E125-F129 VanDerWaalsContact O-CB 3.32Å; E125-F129 WeakPolarHBondContact O-CB 3.42Å; E125-F129 PolarHBondContact O-N 3.49Å
126	L	98.6	Very high	98.4	Very high	34 Å²	34	79.7 Å²	79.7	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-58.7	-43.7	172.9	-178.7	59.5	0	0	0	110.8	G122 K124 F129 L130 L156 H159 I163	G122-L126 WeakPolarHBondContact O-CB 3.44Å; G122-L126 PolarHBondContact O-N 3.42Å; K124-L126 VanDerWaalsContact C-N 3.34Å; L126-F129 PolarHBondContact O-N 3.14Å; L126-L130 HydrophobicContact CD1-CD1 4.46Å; L126-L130 HydrophobicContact CD1-CG 4.35Å; L126-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 HydrophobicContact CG-CG 4.44Å; L126-L130 WeakPolarHBondContact O-CB 3.26Å; L126-L130 VanDerWaalsContact O-CG 3.23Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.02Å; L126-L156 HydrophobicContact CD1-CD2 3.47Å; L126-L156 VanDerWaalsContact CD1-CD2 3.47Å; L126-H159 HydrophobicContact CD1-CB 4.26Å; L126-H159 PolarHBondContact N-CE1 3.48Å; L126-H159 PolarHBondContact N-NE2 3.43Å; L126-I163 HydrophobicContact CB-CD1 4.47Å; L126-I163 HydrophobicContact CD2-CD1 4.03Å
127	W	98.6	Very high	98.3	Very high	145 Å²	145	76.4 Å²	76.4	55%	0.549	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177.5	179.8	-118	0	0	0	112.8	A123 K124 E125 F129 L130 Q131	A123-W127 WeakPolarHBondContact O-CB 3.28Å; A123-W127 PolarHBondContact O-N 3.34Å; K124-W127 WeakPolarHBondContact O-CB 3.48Å; K124-W127 PolarHBondContact O-N 3.07Å; E125-W127 VanDerWaalsContact C-N 3.28Å; E125-W127 PolarHBondContact O-N 3.47Å; W127-F129 VanDerWaalsContact C-N 3.3Å; W127-F129 PolarHBondContact O-N 3.23Å; W127-L130 HydrophobicContact CE3-CB 4.46Å; W127-L130 HydrophobicContact CE3-CD1 4.26Å; W127-L130 PolarHBondContact O-N 2.54Å; W127-Q131 HydrophobicContact CD2-CG 4.09Å; W127-Q131 VanDerWaalsContact CE2-CD 3.42Å; W127-Q131 VanDerWaalsContact CE2-NE2 3.27Å; W127-Q131 HydrophobicContact CE3-CG 4.42Å; W127-Q131 HydrophobicContact CH2-CG 4.19Å; W127-Q131 HydrophobicContact CZ2-CG 3.83Å; W127-Q131 HydrophobicContact CZ3-CG 4.47Å; W127-Q131 VanDerWaalsContact NE1-CD 3.31Å; W127-Q131 VanDerWaalsContact NE1-NE2 3.18Å; W127-Q131 VanDerWaalsContact O-CG 3.3Å; W127-Q131 WeakPolarHBondContact O-CG 3.48Å; W127-Q131 PolarHBondContact O-N 2.84Å
128	F	98.6	Very high	98.2	Very high	113 Å²	113	79.3 Å²	79.3	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-42.5	174.4	-63.6	-35.3	0	0	0	111.9	K124 E125 Q131 S132	K124-F128 HydrophobicContact CB-CE2 4.42Å; K124-F128 WeakPolarHBondContact O-CD2 3.46Å; K124-F128 WeakPolarHBondContact O-CG 3.35Å; K124-F128 PolarHBondContact O-N 3.14Å; E125-F128 PolarHBondContact O-N 2.88Å; F128-Q131 PolarHBondContact O-N 3.02Å; F128-S132 WeakPolarHBondContact O-CB 3.4Å; F128-S132 PolarHBondContact O-N 3.12Å
129	F	98.6	Very high	98.1	Very high	54 Å²	54	79.6 Å²	79.6	24%	0.237	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-49.2	177.3	-174.7	-121.5	0	0	0	111.6	E125 L126 W127 Q131 S132 E133 F152 D155 L156	E125-F129 VanDerWaalsContact O-CB 3.32Å; E125-F129 WeakPolarHBondContact O-CB 3.42Å; E125-F129 PolarHBondContact O-N 3.49Å; L126-F129 PolarHBondContact O-N 3.14Å; W127-F129 VanDerWaalsContact C-N 3.3Å; W127-F129 PolarHBondContact O-N 3.23Å; F129-Q131 VanDerWaalsContact C-N 3.34Å; F129-Q131 PolarHBondContact O-N 3.37Å; F129-S132 PolarHBondContact O-N 3.27Å; F129-E133 HydrophobicContact CD2-CG 3.82Å; F129-E133 HydrophobicContact CE1-CG 4.34Å; F129-E133 HydrophobicContact CE2-CG 3.45Å; F129-E133 VanDerWaalsContact CE2-CG 3.45Å; F129-E133 HydrophobicContact CG-CG 4.4Å; F129-E133 HydrophobicContact CZ-CG 3.74Å; F129-E133 PolarHBondContact O-N 2.75Å; F129-F152 HydrophobicContact CD1-CD2 4.28Å; F129-F152 AromaticContact CD1-CE2 3.72Å; F129-F152 HydrophobicContact CD1-CE2 3.72Å; F129-F152 AromaticContact CE1-CD2 3.49Å; F129-F152 HydrophobicContact CE1-CD2 3.49Å; F129-F152 VanDerWaalsContact CE1-CD2 3.49Å; F129-F152 AromaticContact CE1-CE2 3.41Å; F129-F152 HydrophobicContact CE1-CE2 3.41Å; F129-F152 VanDerWaalsContact CE1-CE2 3.41Å; F129-F152 AromaticContact CZ-CD2 3.77Å; F129-F152 HydrophobicContact CZ-CD2 3.77Å; F129-F152 AromaticContact CZ-CE2 3.98Å; F129-F152 HydrophobicContact CZ-CE2 3.98Å; F129-D155 HydrophobicContact CE1-CB 3.94Å; F129-D155 HydrophobicContact CZ-CB 3.9Å; F129-L156 HydrophobicContact CD1-CD2 3.89Å; F129-L156 HydrophobicContact CE1-CD2 4.07Å; F129-L156 HydrophobicContact CE1-CG 4.32Å
130	L	98.4	Very high	98	Very high	44 Å²	44	80 Å²	80	23%	0.23	39%	0.388	C	S	.	.	H	α-helix	trans	-54.8	-47.5	176	-74.9	168.8	0	0	0	111.8	L126 W127 S132 L134 F152 L156	L126-L130 HydrophobicContact CD1-CD1 4.46Å; L126-L130 HydrophobicContact CD1-CG 4.35Å; L126-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 HydrophobicContact CG-CG 4.44Å; L126-L130 WeakPolarHBondContact O-CB 3.26Å; L126-L130 VanDerWaalsContact O-CG 3.23Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.02Å; W127-L130 HydrophobicContact CE3-CB 4.46Å; W127-L130 HydrophobicContact CE3-CD1 4.26Å; W127-L130 PolarHBondContact O-N 2.54Å; L130-S132 PolarHBondContact O-N 3.41Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CD1 3.38Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 2.99Å; L130-F152 HydrophobicContact CD2-CE2 4.46Å; L130-F152 HydrophobicContact CD2-CZ 3.78Å; L130-L156 HydrophobicContact CD2-CD1 4.03Å; L130-L156 HydrophobicContact CD2-CD2 3.63Å; L130-L156 HydrophobicContact CD2-CG 4.5Å; L130-L156 HydrophobicContact CG-CD2 4.16Å
131	Q	98.3	Very high	97.9	Very high	96 Å²	96	83.8 Å²	83.8	45%	0.449	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-41.7	179.2	-71.1	-178.6	-42.9	0	0	112.7	W127 F128 F129 K135	W127-Q131 HydrophobicContact CD2-CG 4.09Å; W127-Q131 VanDerWaalsContact CE2-CD 3.42Å; W127-Q131 VanDerWaalsContact CE2-NE2 3.27Å; W127-Q131 HydrophobicContact CE3-CG 4.42Å; W127-Q131 HydrophobicContact CH2-CG 4.19Å; W127-Q131 HydrophobicContact CZ2-CG 3.83Å; W127-Q131 HydrophobicContact CZ3-CG 4.47Å; W127-Q131 VanDerWaalsContact NE1-CD 3.31Å; W127-Q131 VanDerWaalsContact NE1-NE2 3.18Å; W127-Q131 VanDerWaalsContact O-CG 3.3Å; W127-Q131 WeakPolarHBondContact O-CG 3.48Å; W127-Q131 PolarHBondContact O-N 2.84Å; F128-Q131 PolarHBondContact O-N 3.02Å; F129-Q131 VanDerWaalsContact C-N 3.34Å; F129-Q131 PolarHBondContact O-N 3.37Å; Q131-K135 WeakPolarHBondContact O-CB 3.27Å; Q131-K135 PolarHBondContact O-N 3.17Å
132	S	98.4	Very high	97.8	Very high	51 Å²	51	82.3 Å²	82.3	36%	0.357	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-55.8	178	169.3	0	0	0	0	111.4	F128 F129 L130 K135 K136	F128-S132 WeakPolarHBondContact O-CB 3.4Å; F128-S132 PolarHBondContact O-N 3.12Å; F129-S132 PolarHBondContact O-N 3.27Å; L130-S132 PolarHBondContact O-N 3.41Å; S132-K135 WeakPolarHBondContact O-CB 3.29Å; S132-K135 PolarHBondContact O-N 3.49Å; S132-K136 PolarHBondContact O-N 3.34Å; S132-K136 VanDerWaalsContact O-N 3.12Å
133	E	98	Very high	97.7	Very high	15 Å²	15	88 Å²	88	7%	0.07	44%	0.437	C	S	.	.	H	α-helix	trans	-70.6	-39.2	-172.5	-63.2	-46.1	115.5	0	0	112.2	F129 K135 K136 L137 H148 F152	F129-E133 HydrophobicContact CD2-CG 3.82Å; F129-E133 HydrophobicContact CE1-CG 4.34Å; F129-E133 HydrophobicContact CE2-CG 3.45Å; F129-E133 VanDerWaalsContact CE2-CG 3.45Å; F129-E133 HydrophobicContact CG-CG 4.4Å; F129-E133 HydrophobicContact CZ-CG 3.74Å; F129-E133 PolarHBondContact O-N 2.75Å; E133-K135 PolarHBondContact O-N 3.3Å; E133-K136 WeakPolarHBondContact O-CB 3.47Å; E133-K136 PolarHBondContact O-N 3.36Å; E133-K136 WeakPolarHBondContact OE1-CE 3.45Å; E133-K136 IonicContact OE1-NZ 2.68Å; E133-K136 PolarHBondContact OE1-NZ 3.2Å; E133-K136 WeakPolarHBondContact OE2-CD 3.44Å; E133-K136 IonicContact OE2-NZ 3.55Å; E133-L137 WeakPolarHBondContact O-CG 3.32Å; E133-L137 PolarHBondContact O-N 3.05Å; E133-H148 IonicContact OE2-CD2 2.88Å; E133-H148 IonicContact OE2-CE1 3.5Å; E133-H148 IonicContact OE2-NE2 2.72Å; E133-H148 PolarHBondContact OE2-NE2 3.19Å; E133-F152 HydrophobicContact CB-CD1 4.29Å; E133-F152 HydrophobicContact CB-CD2 3.71Å; E133-F152 HydrophobicContact CB-CE1 4.04Å; E133-F152 HydrophobicContact CB-CE2 3.42Å; E133-F152 VanDerWaalsContact CB-CE2 3.42Å; E133-F152 HydrophobicContact CB-CG 4.11Å; E133-F152 HydrophobicContact CB-CZ 3.57Å; E133-F152 HydrophobicContact CG-CD2 3.76Å; E133-F152 HydrophobicContact CG-CE2 3.66Å; E133-F152 HydrophobicContact CG-CZ 4.32Å
134	L	97.9	Very high	97.5	Very high	89 Å²	89	90.9 Å²	90.9	47%	0.466	44%	0.442	S	S	.	.	H	α-helix	trans	-62.5	-30.4	173.7	-70.7	171.7	0	0	0	112.4	L130 L137 K138 F152	L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CD1 3.38Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 2.99Å; L134-L137 HydrophobicContact CD2-CD1 4.21Å; L134-K138 WeakPolarHBondContact O-CG 3.45Å; L134-K138 PolarHBondContact O-N 2.88Å; L134-F152 HydrophobicContact CD2-CE1 4.21Å; L134-F152 HydrophobicContact CG-CE1 4.31Å
135	K	97.9	Very high	97.5	Very high	153 Å²	153	89 Å²	89	67%	0.665	44%	0.437	S	S	*	.	H	α-helix	trans	-72	-35.7	173.9	-174.3	178.8	178.7	-178.3	0	111.8	Q131 S132 E133 N139	Q131-K135 WeakPolarHBondContact O-CB 3.27Å; Q131-K135 PolarHBondContact O-N 3.17Å; S132-K135 WeakPolarHBondContact O-CB 3.29Å; S132-K135 PolarHBondContact O-N 3.49Å; E133-K135 PolarHBondContact O-N 3.3Å; K135-N139 PolarHBondContact O-ND2 2.86Å; K135-N139 VanDerWaalsContact O-ND2 3.16Å
136	K	97	Very high	97.4	Very high	99 Å²	99	90.9 Å²	90.9	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-68.1	-47	174.8	-66.8	173.6	-172.9	170.1	0	111.2	S132 E133 K138 N139	S132-K136 PolarHBondContact O-N 3.34Å; S132-K136 VanDerWaalsContact O-N 3.12Å; E133-K136 WeakPolarHBondContact O-CB 3.47Å; E133-K136 PolarHBondContact O-N 3.36Å; E133-K136 WeakPolarHBondContact OE1-CE 3.45Å; E133-K136 IonicContact OE1-NZ 2.68Å; E133-K136 PolarHBondContact OE1-NZ 3.2Å; E133-K136 WeakPolarHBondContact OE2-CD 3.44Å; E133-K136 IonicContact OE2-NZ 3.55Å; K136-K138 PolarHBondContact O-N 3.45Å; K136-K138 VanDerWaalsContact O-N 3.17Å; K136-N139 PolarHBondContact O-N 2.64Å
137	L	97	Very high	97.3	Very high	24 Å²	24	95.5 Å²	95.5	13%	0.126	46%	0.46	C	S	.	.	H	α-helix	trans	-55	-35.3	179.9	-75	171.1	0	0	0	113	E133 L134 N139 L140 L145 H148 A149 F152	E133-L137 WeakPolarHBondContact O-CG 3.32Å; E133-L137 PolarHBondContact O-N 3.05Å; L134-L137 HydrophobicContact CD2-CD1 4.21Å; L137-N139 PolarHBondContact O-N 2.69Å; L137-N139 VanDerWaalsContact O-N 3.09Å; L137-L140 HydrophobicContact CD2-CD1 4.47Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-L140 VanDerWaalsContact O-N 3.13Å; L137-L145 HydrophobicContact CB-CD1 4.14Å; L137-L145 HydrophobicContact CD2-CD1 3.64Å; L137-L145 WeakPolarHBondContact O-CD1 2.97Å; L137-H148 HydrophobicContact CD2-CB 4.07Å; L137-A149 HydrophobicContact CD2-CB 4.15Å; L137-F152 HydrophobicContact CD1-CD1 3.83Å; L137-F152 HydrophobicContact CD1-CE1 4.11Å
138	K	96.5	Very high	97.2	Very high	179 Å²	179	90.4 Å²	90.4	78%	0.778	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.2	176.4	-74.6	177.5	-178.5	-174.4	0	114.7	L134 K136	L134-K138 WeakPolarHBondContact O-CG 3.45Å; L134-K138 PolarHBondContact O-N 2.88Å; K136-K138 PolarHBondContact O-N 3.45Å; K136-K138 VanDerWaalsContact O-N 3.17Å
139	N	96.7	Very high	97.2	Very high	131 Å²	131	86.5 Å²	86.5	70%	0.701	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	5.4	-178.9	-50.7	-48.5	0	0	0	112.6	K135 K136 L137	K135-N139 PolarHBondContact O-ND2 2.86Å; K135-N139 VanDerWaalsContact O-ND2 3.16Å; K136-N139 PolarHBondContact O-N 2.64Å; L137-N139 PolarHBondContact O-N 2.69Å; L137-N139 VanDerWaalsContact O-N 3.09Å
140	L	96.5	Very high	97.1	Very high	33 Å²	33	88.6 Å²	88.6	17%	0.173	45%	0.445	C	S	.	.			trans	-107.1	150.2	179.1	-59.2	-179.2	0	0	0	110.2	L137 E144 L145 H148	L137-L140 HydrophobicContact CD2-CD1 4.47Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-L140 VanDerWaalsContact O-N 3.13Å; L140-E144 HydrophobicContact CD1-CG 4.42Å; L140-E144 HydrophobicContact CD2-CG 4.05Å; L140-L145 HydrophobicContact CB-CB 3.96Å; L140-L145 HydrophobicContact CB-CD1 4.07Å; L140-H148 HydrophobicContact CD1-CB 3.59Å
141	E	96.6	Very high	97	Very high	167 Å²	167	90.3 Å²	90.3	78%	0.78	45%	0.452	S	S	*	.			trans	-137.4	162.1	177.9	-65.8	-175.4	-177.3	0	0	111.4	N143 E144 L145	E141-N143 PolarHBondContact O-N 2.91Å; E141-E144 PolarHBondContact O-N 3.4Å; E141-L145 PolarHBondContact O-N 2.96Å
142	G	95.8	Very high	97	Very high	51 Å²	51	86.4 Å²	86.4	53%	0.526	43%	0.433	S	S	.	.	H	α-helix	trans	56.7	-134.9	174.7	0	0	0	0	0	113.9	E144 L145 Q146	G142-E144 VanDerWaalsContact C-N 3.3Å; G142-E144 PolarHBondContact O-N 3.32Å; G142-L145 WeakPolarHBondContact O-CB 3.46Å; G142-L145 PolarHBondContact O-N 2.79Å; G142-Q146 PolarHBondContact O-N 3.46Å
143	N	96.1	Very high	97	Very high	135 Å²	135	89.4 Å²	89.4	72%	0.722	44%	0.444	S	S	*	.	H	α-helix	trans	-67.7	-29.1	-175.2	-63.9	-13	0	0	0	113.1	E141 Q146 R147	E141-N143 PolarHBondContact O-N 2.91Å; N143-Q146 PolarHBondContact O-N 2.88Å; N143-R147 WeakPolarHBondContact O-CB 3.46Å; N143-R147 PolarHBondContact O-N 3.47Å
144	E	95.8	Very high	96.9	Very high	109 Å²	109	94.1 Å²	94.1	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-40.2	178.6	-169.9	175.1	-169.8	0	0	110.8	L140 E141 G142 H148	L140-E144 HydrophobicContact CD1-CG 4.42Å; L140-E144 HydrophobicContact CD2-CG 4.05Å; E141-E144 PolarHBondContact O-N 3.4Å; G142-E144 VanDerWaalsContact C-N 3.3Å; G142-E144 PolarHBondContact O-N 3.32Å; E144-H148 WeakPolarHBondContact O-CB 3.34Å; E144-H148 PolarHBondContact O-N 3.26Å
145	L	96.8	Very high	96.9	Very high	63 Å²	63	94 Å²	94	33%	0.33	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-48	172.9	176.5	66.6	0	0	0	111.7	L137 L140 E141 G142 H148 A149	L137-L145 HydrophobicContact CB-CD1 4.14Å; L137-L145 HydrophobicContact CD2-CD1 3.64Å; L137-L145 WeakPolarHBondContact O-CD1 2.97Å; L140-L145 HydrophobicContact CB-CB 3.96Å; L140-L145 HydrophobicContact CB-CD1 4.07Å; E141-L145 PolarHBondContact O-N 2.96Å; G142-L145 WeakPolarHBondContact O-CB 3.46Å; G142-L145 PolarHBondContact O-N 2.79Å; L145-H148 PolarHBondContact O-N 3.45Å; L145-A149 VanDerWaalsContact O-CB 3.28Å; L145-A149 WeakPolarHBondContact O-CB 3.46Å; L145-A149 PolarHBondContact O-N 2.88Å
146	Q	96.6	Very high	97	Very high	123 Å²	123	88 Å²	88	58%	0.575	45%	0.445	S	S	*	.	H	α-helix	trans	-61.4	-51.1	-179.3	-71.5	-178.4	-18.4	0	0	111.3	G142 N143 H148 A149 D150	G142-Q146 PolarHBondContact O-N 3.46Å; N143-Q146 PolarHBondContact O-N 2.88Å; Q146-H148 VanDerWaalsContact C-N 3.33Å; Q146-H148 PolarHBondContact O-N 3.38Å; Q146-A149 PolarHBondContact O-N 3.34Å; Q146-D150 VanDerWaalsContact O-CG 3.26Å; Q146-D150 PolarHBondContact O-N 3.28Å
147	R	97.1	Very high	97	Very high	131 Å²	131	83.9 Å²	83.9	49%	0.494	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-45.4	178.6	-176	-179.7	65.1	88	1.6	111.9	N143 D150 E151	N143-R147 WeakPolarHBondContact O-CB 3.46Å; N143-R147 PolarHBondContact O-N 3.47Å; R147-D150 PolarHBondContact O-N 3.11Å; R147-E151 WeakPolarHBondContact CG-OE1 3.16Å; R147-E151 IonicContact CZ-OE1 2.79Å; R147-E151 IonicContact NH1-OE1 3.56Å; R147-E151 PolarHBondContact NH1-OE1 2.94Å; R147-E151 IonicContact NH1-OE2 3.21Å; R147-E151 WeakPolarHBondContact O-CB 3.21Å; R147-E151 WeakPolarHBondContact O-CG 3.47Å; R147-E151 PolarHBondContact O-N 3.27Å
148	H	96.7	Very high	97	Very high	39 Å²	39	87.2 Å²	87.2	18%	0.181	45%	0.445	C	S	.	.	H	α-helix	trans	-67.6	-36	179.7	-159.8	91.7	0	0	0	112.1	E133 L137 L140 E144 L145 Q146 F152	E133-H148 IonicContact OE2-CD2 2.88Å; E133-H148 IonicContact OE2-CE1 3.5Å; E133-H148 IonicContact OE2-NE2 2.72Å; E133-H148 PolarHBondContact OE2-NE2 3.19Å; L137-H148 HydrophobicContact CD2-CB 4.07Å; L140-H148 HydrophobicContact CD1-CB 3.59Å; E144-H148 WeakPolarHBondContact O-CB 3.34Å; E144-H148 PolarHBondContact O-N 3.26Å; L145-H148 PolarHBondContact O-N 3.45Å; Q146-H148 VanDerWaalsContact C-N 3.33Å; Q146-H148 PolarHBondContact O-N 3.38Å; H148-F152 WeakPolarHBondContact O-CB 3.21Å; H148-F152 PolarHBondContact O-N 2.91Å
149	A	97.6	Very high	97.1	Very high	30 Å²	30	80.8 Å²	80.8	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-67.3	-39.9	175.3	0	0	0	0	0	112.1	L137 L145 Q146 F152 L153	L137-A149 HydrophobicContact CD2-CB 4.15Å; L145-A149 VanDerWaalsContact O-CB 3.28Å; L145-A149 WeakPolarHBondContact O-CB 3.46Å; L145-A149 PolarHBondContact O-N 2.88Å; Q146-A149 PolarHBondContact O-N 3.34Å; A149-F152 PolarHBondContact O-N 3.32Å; A149-L153 WeakPolarHBondContact O-CG 3.41Å; A149-L153 PolarHBondContact O-N 2.73Å
150	D	97.1	Very high	97.2	Very high	99 Å²	99	78.4 Å²	78.4	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-66.8	-46.4	176.7	-66.3	-23.1	0	0	0	111.4	Q146 R147 F152 L153 L154	Q146-D150 VanDerWaalsContact O-CG 3.26Å; Q146-D150 PolarHBondContact O-N 3.28Å; R147-D150 PolarHBondContact O-N 3.11Å; D150-F152 VanDerWaalsContact C-N 3.29Å; D150-F152 PolarHBondContact O-N 3.27Å; D150-L153 PolarHBondContact O-N 2.94Å; D150-L154 WeakPolarHBondContact O-CG 3.22Å; D150-L154 PolarHBondContact O-N 2.9Å; D150-L154 VanDerWaalsContact O-N 3.11Å
151	E	97.4	Very high	97.3	Very high	80 Å²	80	77.6 Å²	77.6	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-57.3	-44.1	173.2	-73.8	171.1	-165	0	0	110.8	R147 L153 L154 D155	R147-E151 WeakPolarHBondContact CG-OE1 3.16Å; R147-E151 IonicContact CZ-OE1 2.79Å; R147-E151 IonicContact NH1-OE1 3.56Å; R147-E151 PolarHBondContact NH1-OE1 2.94Å; R147-E151 IonicContact NH1-OE2 3.21Å; R147-E151 WeakPolarHBondContact O-CB 3.21Å; R147-E151 WeakPolarHBondContact O-CG 3.47Å; R147-E151 PolarHBondContact O-N 3.27Å; E151-L153 PolarHBondContact O-N 2.83Å; E151-L154 WeakPolarHBondContact O-CB 3.5Å; E151-L154 PolarHBondContact O-N 3.28Å; E151-D155 PolarHBondContact O-N 2.97Å; E151-D155 VanDerWaalsContact O-N 3.11Å
152	F	98.1	Very high	97.4	Very high	14 Å²	14	71.6 Å²	71.6	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-42.1	177.8	179	-141	0	0	0	113	F129 L130 E133 L134 L137 H148 A149 D150 L154 D155 L156	F129-F152 HydrophobicContact CD1-CD2 4.28Å; F129-F152 AromaticContact CD1-CE2 3.72Å; F129-F152 HydrophobicContact CD1-CE2 3.72Å; F129-F152 AromaticContact CE1-CD2 3.49Å; F129-F152 HydrophobicContact CE1-CD2 3.49Å; F129-F152 VanDerWaalsContact CE1-CD2 3.49Å; F129-F152 AromaticContact CE1-CE2 3.41Å; F129-F152 HydrophobicContact CE1-CE2 3.41Å; F129-F152 VanDerWaalsContact CE1-CE2 3.41Å; F129-F152 AromaticContact CZ-CD2 3.77Å; F129-F152 HydrophobicContact CZ-CD2 3.77Å; F129-F152 AromaticContact CZ-CE2 3.98Å; F129-F152 HydrophobicContact CZ-CE2 3.98Å; L130-F152 HydrophobicContact CD2-CE2 4.46Å; L130-F152 HydrophobicContact CD2-CZ 3.78Å; E133-F152 HydrophobicContact CB-CD1 4.29Å; E133-F152 HydrophobicContact CB-CD2 3.71Å; E133-F152 HydrophobicContact CB-CE1 4.04Å; E133-F152 HydrophobicContact CB-CE2 3.42Å; E133-F152 VanDerWaalsContact CB-CE2 3.42Å; E133-F152 HydrophobicContact CB-CG 4.11Å; E133-F152 HydrophobicContact CB-CZ 3.57Å; E133-F152 HydrophobicContact CG-CD2 3.76Å; E133-F152 HydrophobicContact CG-CE2 3.66Å; E133-F152 HydrophobicContact CG-CZ 4.32Å; L134-F152 HydrophobicContact CD2-CE1 4.21Å; L134-F152 HydrophobicContact CG-CE1 4.31Å; L137-F152 HydrophobicContact CD1-CD1 3.83Å; L137-F152 HydrophobicContact CD1-CE1 4.11Å; H148-F152 WeakPolarHBondContact O-CB 3.21Å; H148-F152 PolarHBondContact O-N 2.91Å; A149-F152 PolarHBondContact O-N 3.32Å; D150-F152 VanDerWaalsContact C-N 3.29Å; D150-F152 PolarHBondContact O-N 3.27Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.42Å; F152-D155 PolarHBondContact O-N 3.47Å; F152-L156 HydrophobicContact CD1-CD1 4.12Å; F152-L156 HydrophobicContact CD2-CD1 3.98Å; F152-L156 HydrophobicContact CD2-CD2 4.41Å; F152-L156 HydrophobicContact CD2-CG 3.85Å; F152-L156 HydrophobicContact CE1-CD1 3.88Å; F152-L156 HydrophobicContact CE2-CD1 3.71Å; F152-L156 HydrophobicContact CE2-CD2 3.76Å; F152-L156 HydrophobicContact CE2-CG 3.65Å; F152-L156 HydrophobicContact CG-CD1 4.19Å; F152-L156 HydrophobicContact CG-CG 4.47Å; F152-L156 HydrophobicContact CZ-CD1 3.68Å; F152-L156 HydrophobicContact CZ-CD2 4.2Å; F152-L156 HydrophobicContact CZ-CG 4.13Å; F152-L156 WeakPolarHBondContact O-CB 3.14Å; F152-L156 VanDerWaalsContact O-CG 3.23Å; F152-L156 WeakPolarHBondContact O-CG 3.26Å; F152-L156 PolarHBondContact O-N 2.68Å
153	L	97.5	Very high	97.5	Very high	113 Å²	113	70.2 Å²	70.2	59%	0.592	35%	0.353	S	S	*	.	H	α-helix	trans	-64.5	-37.2	176.6	-76.2	171.4	0	0	0	112.5	A149 D150 E151 L156 G157	A149-L153 WeakPolarHBondContact O-CG 3.41Å; A149-L153 PolarHBondContact O-N 2.73Å; D150-L153 PolarHBondContact O-N 2.94Å; E151-L153 PolarHBondContact O-N 2.83Å; L153-L156 PolarHBondContact O-N 3.17Å; L153-G157 PolarHBondContact O-N 2.99Å
154	L	97.1	Very high	97.6	Very high	114 Å²	114	67.7 Å²	67.7	60%	0.597	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-47.3	175	-69.2	171.2	0	0	0	111.3	D150 E151 F152 G157 H158	D150-L154 WeakPolarHBondContact O-CG 3.22Å; D150-L154 PolarHBondContact O-N 2.9Å; D150-L154 VanDerWaalsContact O-N 3.11Å; E151-L154 WeakPolarHBondContact O-CB 3.5Å; E151-L154 PolarHBondContact O-N 3.28Å; F152-L154 VanDerWaalsContact C-N 3.34Å; F152-L154 PolarHBondContact O-N 3.42Å; L154-G157 PolarHBondContact O-N 3.18Å; L154-H158 PolarHBondContact O-CD2 2.63Å; L154-H158 VanDerWaalsContact O-CD2 3.23Å; L154-H158 PolarHBondContact O-N 3.08Å; L154-H158 VanDerWaalsContact O-N 3.16Å
155	D	97.9	Very high	97.8	Very high	86 Å²	86	63 Å²	63	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-44.6	178	-72.6	-17.2	0	0	0	111.7	F129 E151 F152 G157 H158 H159	F129-D155 HydrophobicContact CE1-CB 3.94Å; F129-D155 HydrophobicContact CZ-CB 3.9Å; E151-D155 PolarHBondContact O-N 2.97Å; E151-D155 VanDerWaalsContact O-N 3.11Å; F152-D155 PolarHBondContact O-N 3.47Å; D155-G157 VanDerWaalsContact C-N 3.32Å; D155-G157 PolarHBondContact O-N 3.37Å; D155-H158 PolarHBondContact O-N 3.03Å; D155-H159 PolarHBondContact O-N 3.22Å
156	L	98.3	Very high	97.9	Very high	29 Å²	29	61 Å²	61	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-58.4	-43.4	175.8	-74.7	175.5	0	0	0	111.8	L126 F129 L130 F152 L153 H158 H159 E160	L126-L156 HydrophobicContact CD1-CD2 3.47Å; L126-L156 VanDerWaalsContact CD1-CD2 3.47Å; F129-L156 HydrophobicContact CD1-CD2 3.89Å; F129-L156 HydrophobicContact CE1-CD2 4.07Å; F129-L156 HydrophobicContact CE1-CG 4.32Å; L130-L156 HydrophobicContact CD2-CD1 4.03Å; L130-L156 HydrophobicContact CD2-CD2 3.63Å; L130-L156 HydrophobicContact CD2-CG 4.5Å; L130-L156 HydrophobicContact CG-CD2 4.16Å; F152-L156 HydrophobicContact CD1-CD1 4.12Å; F152-L156 HydrophobicContact CD2-CD1 3.98Å; F152-L156 HydrophobicContact CD2-CD2 4.41Å; F152-L156 HydrophobicContact CD2-CG 3.85Å; F152-L156 HydrophobicContact CE1-CD1 3.88Å; F152-L156 HydrophobicContact CE2-CD1 3.71Å; F152-L156 HydrophobicContact CE2-CD2 3.76Å; F152-L156 HydrophobicContact CE2-CG 3.65Å; F152-L156 HydrophobicContact CG-CD1 4.19Å; F152-L156 HydrophobicContact CG-CG 4.47Å; F152-L156 HydrophobicContact CZ-CD1 3.68Å; F152-L156 HydrophobicContact CZ-CD2 4.2Å; F152-L156 HydrophobicContact CZ-CG 4.13Å; F152-L156 WeakPolarHBondContact O-CB 3.14Å; F152-L156 VanDerWaalsContact O-CG 3.23Å; F152-L156 WeakPolarHBondContact O-CG 3.26Å; F152-L156 PolarHBondContact O-N 2.68Å; L153-L156 PolarHBondContact O-N 3.17Å; L156-H158 VanDerWaalsContact C-N 3.33Å; L156-H158 PolarHBondContact O-N 3.31Å; L156-H159 PolarHBondContact O-N 3.35Å; L156-E160 VanDerWaalsContact O-CB 3.29Å; L156-E160 WeakPolarHBondContact O-CB 3.4Å; L156-E160 PolarHBondContact O-N 3.27Å
157	G	97.4	Very high	97.9	Very high	12 Å²	12	58.5 Å²	58.5	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176.5	0	0	0	0	0	112	L153 L154 D155 H159 R161	L153-G157 PolarHBondContact O-N 2.99Å; L154-G157 PolarHBondContact O-N 3.18Å; D155-G157 VanDerWaalsContact C-N 3.32Å; D155-G157 PolarHBondContact O-N 3.37Å; G157-H159 PolarHBondContact O-N 3.35Å; G157-R161 WeakPolarHBondContact O-CB 3.43Å; G157-R161 WeakPolarHBondContact O-CG 3.38Å; G157-R161 PolarHBondContact O-N 3.41Å; G157-R161 PolarHBondContact O-NE 3.06Å; G157-R161 PolarHBondContact O-NH1 3.29Å; G157-R161 PolarHBondContact O-NH2 3.41Å
158	H	98	Very high	98	Very high	93 Å²	93	56.2 Å²	56.2	43%	0.431	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-40	177.2	-73.8	-56.4	0	0	0	112.7	L154 D155 L156 S162 R395	L154-H158 PolarHBondContact O-CD2 2.63Å; L154-H158 VanDerWaalsContact O-CD2 3.23Å; L154-H158 PolarHBondContact O-N 3.08Å; L154-H158 VanDerWaalsContact O-N 3.16Å; D155-H158 PolarHBondContact O-N 3.03Å; L156-H158 VanDerWaalsContact C-N 3.33Å; L156-H158 PolarHBondContact O-N 3.31Å; H158-S162 PolarHBondContact O-N 3.39Å; H158-R395 PolarHBondContact O-NH2 3.04Å
159	H	98.3	Very high	98.1	Very high	45 Å²	45	58.7 Å²	58.7	21%	0.208	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-48.7	178.8	-160.5	133.3	0	0	0	111.2	G122 L126 D155 L156 G157 R161 S162 I163	G122-H159 PolarHBondContact O-NE2 3.25Å; L126-H159 HydrophobicContact CD1-CB 4.26Å; L126-H159 PolarHBondContact N-CE1 3.48Å; L126-H159 PolarHBondContact N-NE2 3.43Å; D155-H159 PolarHBondContact O-N 3.22Å; L156-H159 PolarHBondContact O-N 3.35Å; G157-H159 PolarHBondContact O-N 3.35Å; H159-R161 PolarHBondContact O-N 3.48Å; H159-S162 WeakPolarHBondContact O-CB 3.27Å; H159-S162 PolarHBondContact O-N 2.97Å; H159-S162 VanDerWaalsContact O-N 3.09Å; H159-S162 PolarHBondContact O-OG 3.33Å; H159-I163 PolarHBondContact O-N 3.08Å
160	E	98.4	Very high	98.1	Very high	81 Å²	81	59.1 Å²	59.1	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-49.7	177.1	-174	-81.5	166.6	0	0	111	L156 S162 I163 M164	L156-E160 VanDerWaalsContact O-CB 3.29Å; L156-E160 WeakPolarHBondContact O-CB 3.4Å; L156-E160 PolarHBondContact O-N 3.27Å; E160-S162 PolarHBondContact O-N 3.43Å; E160-S162 VanDerWaalsContact O-N 3.14Å; E160-I163 WeakPolarHBondContact O-CB 3.41Å; E160-I163 PolarHBondContact O-N 3.13Å; E160-M164 PolarHBondContact O-N 2.83Å; E160-M164 WeakPolarHBondContact OE1-CG 3.35Å
161	R	98.4	Very high	98.1	Very high	16 Å²	16	56.3 Å²	56.3	6%	0.06	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-27.4	178.6	-73.3	-175.3	-74.1	-77.6	3.1	112.8	G157 H159 T165 E388 L392	G157-R161 WeakPolarHBondContact O-CB 3.43Å; G157-R161 WeakPolarHBondContact O-CG 3.38Å; G157-R161 PolarHBondContact O-N 3.41Å; G157-R161 PolarHBondContact O-NE 3.06Å; G157-R161 PolarHBondContact O-NH1 3.29Å; G157-R161 PolarHBondContact O-NH2 3.41Å; H159-R161 PolarHBondContact O-N 3.48Å; R161-T165 WeakPolarHBondContact O-CB 3.24Å; R161-T165 PolarHBondContact O-N 3.35Å; R161-T165 PolarHBondContact O-OG1 2.95Å; R161-E388 IonicContact NH1-OE1 3.67Å; R161-E388 PolarHBondContact NH1-OE1 3.02Å; R161-L392 HydrophobicContact CB-CD1 4.16Å; R161-L392 HydrophobicContact CG-CB 4.43Å; R161-L392 HydrophobicContact CG-CD1 4.31Å
162	S	98.5	Very high	98	Very high	40 Å²	40	56 Å²	56	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-42.6	173.9	79.7	0	0	0	0	111.8	H158 H159 E160 T165 D166	H158-S162 PolarHBondContact O-N 3.39Å; H159-S162 WeakPolarHBondContact O-CB 3.27Å; H159-S162 PolarHBondContact O-N 2.97Å; H159-S162 VanDerWaalsContact O-N 3.09Å; H159-S162 PolarHBondContact O-OG 3.33Å; E160-S162 PolarHBondContact O-N 3.43Å; E160-S162 VanDerWaalsContact O-N 3.14Å; S162-T165 PolarHBondContact O-N 3.15Å; S162-D166 PolarHBondContact O-N 3.05Å
163	I	98.7	Very high	97.8	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-44.7	176.4	-63.2	172.4	0	0	0	109.9	I119 L126 H159 E160 T165 D166 L167	I119-I163 HydrophobicContact CG2-CG2 4.21Å; L126-I163 HydrophobicContact CB-CD1 4.47Å; L126-I163 HydrophobicContact CD2-CD1 4.03Å; H159-I163 PolarHBondContact O-N 3.08Å; E160-I163 WeakPolarHBondContact O-CB 3.41Å; E160-I163 PolarHBondContact O-N 3.13Å; I163-T165 VanDerWaalsContact C-N 3.3Å; I163-T165 PolarHBondContact O-N 3.26Å; I163-D166 PolarHBondContact O-N 3.12Å; I163-L167 HydrophobicContact CG2-CD1 4.13Å; I163-L167 WeakPolarHBondContact O-CG 3.36Å; I163-L167 PolarHBondContact O-N 3.38Å
164	M	98.6	Very high	97.6	Very high	81 Å²	81	54.5 Å²	54.5	40%	0.399	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-34.6	177.5	-64.8	-52.4	-69.6	0	0	112.7	E160 L167 Y168 L392	E160-M164 PolarHBondContact O-N 2.83Å; E160-M164 WeakPolarHBondContact OE1-CG 3.35Å; M164-L167 PolarHBondContact O-N 2.95Å; M164-L167 HydrophobicContact SD-CD1 3.77Å; M164-Y168 PolarHBondContact O-N 2.71Å; M164-L392 HydrophobicContact CB-CD1 4.03Å
165	T	98.6	Very high	97.4	Very high	10 Å²	10	50.1 Å²	50.1	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-44.8	174.1	-58.9	0	0	0	0	111.4	R161 S162 I163 L167 Y168 Y169 R395 R396	R161-T165 WeakPolarHBondContact O-CB 3.24Å; R161-T165 PolarHBondContact O-N 3.35Å; R161-T165 PolarHBondContact O-OG1 2.95Å; S162-T165 PolarHBondContact O-N 3.15Å; I163-T165 VanDerWaalsContact C-N 3.3Å; I163-T165 PolarHBondContact O-N 3.26Å; T165-L167 VanDerWaalsContact C-N 3.34Å; T165-L167 PolarHBondContact O-N 3.34Å; T165-Y168 WeakPolarHBondContact O-CB 3.5Å; T165-Y168 PolarHBondContact O-N 2.54Å; T165-Y169 HydrophobicContact CG2-CD2 4.03Å; T165-Y169 HydrophobicContact CG2-CE2 3.48Å; T165-Y169 VanDerWaalsContact CG2-CE2 3.48Å; T165-Y169 VanDerWaalsContact O-CD2 3.31Å; T165-Y169 WeakPolarHBondContact O-CD2 3.31Å; T165-Y169 PolarHBondContact O-N 2.7Å; T165-R395 HydrophobicContact CG2-CB 4.17Å; T165-R395 WeakPolarHBondContact OG1-CD 3.42Å; T165-R396 HydrophobicContact CG2-CB 4.39Å
166	D	98.6	Very high	97.3	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-36	176.3	-75.4	-40.8	0	0	0	112.1	L115 R118 I119 S162 I163 Y169 L170	L115-D166 HydrophobicContact CD2-CB 4.34Å; R118-D166 WeakPolarHBondContact CD-OD1 3.32Å; R118-D166 WeakPolarHBondContact CD-OD2 3.37Å; R118-D166 WeakPolarHBondContact CG-OD2 3.43Å; R118-D166 IonicContact NH1-OD1 3.76Å; R118-D166 PolarHBondContact NH1-OD1 3.23Å; I119-D166 HydrophobicContact CD1-CB 4.22Å; I119-D166 HydrophobicContact CG1-CB 3.67Å; S162-D166 PolarHBondContact O-N 3.05Å; I163-D166 PolarHBondContact O-N 3.12Å; D166-Y169 PolarHBondContact O-N 2.56Å; D166-L170 WeakPolarHBondContact O-CB 3.47Å; D166-L170 PolarHBondContact O-N 2.94Å
167	L	98.7	Very high	97.1	Very high	71 Å²	71	46.5 Å²	46.5	37%	0.372	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-41.1	172.7	-80.7	166.8	0	0	0	112	I119 I163 M164 T165 L170 S171	I119-L167 HydrophobicContact CD1-CD2 3.79Å; I119-L167 HydrophobicContact CD1-CG 3.96Å; I119-L167 HydrophobicContact CG1-CG 4.34Å; I119-L167 HydrophobicContact CG2-CD2 4.34Å; I119-L167 HydrophobicContact CG2-CG 4.44Å; I163-L167 HydrophobicContact CG2-CD1 4.13Å; I163-L167 WeakPolarHBondContact O-CG 3.36Å; I163-L167 PolarHBondContact O-N 3.38Å; M164-L167 PolarHBondContact O-N 2.95Å; M164-L167 HydrophobicContact SD-CD1 3.77Å; T165-L167 VanDerWaalsContact C-N 3.34Å; T165-L167 PolarHBondContact O-N 3.34Å; L167-L170 WeakPolarHBondContact O-CB 3.3Å; L167-L170 PolarHBondContact O-N 2.93Å; L167-S171 PolarHBondContact O-N 3.18Å
168	Y	98.4	Very high	97	Very high	84 Å²	84	50.7 Å²	50.7	33%	0.329	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-47	172.1	168.4	-98.6	0	0	0	111.4	M164 T165 L170 S171 Q172	M164-Y168 PolarHBondContact O-N 2.71Å; T165-Y168 WeakPolarHBondContact O-CB 3.5Å; T165-Y168 PolarHBondContact O-N 2.54Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.01Å; Y168-S171 PolarHBondContact O-N 3.37Å; Y168-S171 VanDerWaalsContact O-N 3.09Å; Y168-S171 PolarHBondContact O-OG 3.01Å; Y168-Q172 HydrophobicContact CE1-CG 4.33Å; Y168-Q172 HydrophobicContact CE2-CG 4.19Å; Y168-Q172 WeakPolarHBondContact O-CG 3.25Å; Y168-Q172 PolarHBondContact O-N 2.73Å
169	Y	98.1	Very high	97	Very high	90 Å²	90	51.2 Å²	51.2	35%	0.353	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-36	177.3	-67.2	-47.4	0	0	0	112.6	T165 D166 S171 Q172 T173 R396	T165-Y169 HydrophobicContact CG2-CD2 4.03Å; T165-Y169 HydrophobicContact CG2-CE2 3.48Å; T165-Y169 VanDerWaalsContact CG2-CE2 3.48Å; T165-Y169 VanDerWaalsContact O-CD2 3.31Å; T165-Y169 WeakPolarHBondContact O-CD2 3.31Å; T165-Y169 PolarHBondContact O-N 2.7Å; D166-Y169 PolarHBondContact O-N 2.56Å; Y169-S171 PolarHBondContact O-N 2.77Å; Y169-Q172 PolarHBondContact O-N 2.8Å; Y169-Q172 VanDerWaalsContact O-N 3.12Å; Y169-T173 WeakPolarHBondContact O-CB 3.47Å; Y169-T173 PolarHBondContact O-N 3.31Å; Y169-R396 HydrophobicContact CE1-CB 4.45Å; Y169-R396 WeakPolarHBondContact OH-CA 3.41Å; Y169-R396 WeakPolarHBondContact OH-CB 3.31Å
170	L	98.3	Very high	97	Very high	39 Å²	39	51.2 Å²	51.2	20%	0.204	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-34.7	174.1	-177	65.8	0	0	0	111.5	H112 L115 I119 D166 L167 Y168 Q172 T173	H112-L170 HydrophobicContact CB-CD1 4.41Å; H112-L170 VanDerWaalsContact CD2-CD1 3.49Å; H112-L170 WeakPolarHBondContact CD2-CD1 3.47Å; L115-L170 HydrophobicContact CB-CB 4.35Å; L115-L170 HydrophobicContact CB-CD1 4.16Å; I119-L170 HydrophobicContact CD1-CB 4.2Å; I119-L170 HydrophobicContact CD1-CD2 3.76Å; D166-L170 WeakPolarHBondContact O-CB 3.47Å; D166-L170 PolarHBondContact O-N 2.94Å; L167-L170 WeakPolarHBondContact O-CB 3.3Å; L167-L170 PolarHBondContact O-N 2.93Å; Y168-L170 VanDerWaalsContact C-N 3.29Å; Y168-L170 PolarHBondContact O-N 3.01Å; L170-Q172 PolarHBondContact O-N 2.78Å; L170-T173 HydrophobicContact CD1-CG2 4.42Å
171	S	97.3	Very high	97	Very high	40 Å²	40	53.1 Å²	53.1	28%	0.28	27%	0.27	S	S	.	.	H	α-helix	trans	-71.1	-18.4	177.4	87.5	0	0	0	0	113.5	L167 Y168 Y169 R180	L167-S171 PolarHBondContact O-N 3.18Å; Y168-S171 PolarHBondContact O-N 3.37Å; Y168-S171 VanDerWaalsContact O-N 3.09Å; Y168-S171 PolarHBondContact O-OG 3.01Å; Y169-S171 PolarHBondContact O-N 2.77Å; S171-R180 VanDerWaalsContact O-CZ 3.31Å; S171-R180 PolarHBondContact O-NH1 2.85Å; S171-R180 PolarHBondContact O-NH2 2.92Å
172	Q	94.9	Very high	97	Very high	74 Å²	74	58.8 Å²	58.8	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-102.9	-28.6	-177.6	-57	-50.6	-40.6	0	0	113.7	Y168 Y169 L170 G177	Y168-Q172 HydrophobicContact CE1-CG 4.33Å; Y168-Q172 HydrophobicContact CE2-CG 4.19Å; Y168-Q172 WeakPolarHBondContact O-CG 3.25Å; Y168-Q172 PolarHBondContact O-N 2.73Å; Y169-Q172 PolarHBondContact O-N 2.8Å; Y169-Q172 VanDerWaalsContact O-N 3.12Å; L170-Q172 PolarHBondContact O-N 2.78Å; Q172-G177 PolarHBondContact O-N 3.46Å; Q172-G177 VanDerWaalsContact OE1-CA 3.26Å
173	T	93.9	Very high	97	Very high	23 Å²	23	58.1 Å²	58.1	14%	0.141	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-63.8	162.4	-169.2	-158.9	0	0	0	0	114.3	D111 H112 L115 Y169 L170 G175 A176	D111-T173 WeakPolarHBondContact CB-OG1 3.32Å; H112-T173 HydrophobicContact CB-CG2 3.87Å; L115-T173 HydrophobicContact CD1-CG2 4.31Å; Y169-T173 WeakPolarHBondContact O-CB 3.47Å; Y169-T173 PolarHBondContact O-N 3.31Å; L170-T173 HydrophobicContact CD1-CG2 4.42Å; T173-G175 PolarHBondContact O-N 3.01Å; T173-G175 VanDerWaalsContact O-N 3.12Å; T173-A176 WeakPolarHBondContact O-CB 3.46Å; T173-A176 PolarHBondContact O-N 3.39Å
174	D	93.3	Very high	97	Very high	72 Å²	72	57.4 Å²	57.4	39%	0.385	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	53.1	32.2	177.9	-62.3	-47.5	0	0	0	114.7	G109 H112 A176	G109-D174 VanDerWaalsContact CA-OD2 3.26Å; G109-D174 WeakPolarHBondContact CA-OD2 3.35Å; H112-D174 WeakPolarHBondContact CB-OD2 3.48Å; H112-D174 PolarHBondContact N-OD2 2.56Å; D174-A176 VanDerWaalsContact C-N 3.29Å; D174-A176 PolarHBondContact O-N 2.87Å
175	G	93	Very high	97	Very high	22 Å²	22	59.4 Å²	59.4	23%	0.227	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	77.5	10.2	179.2	0	0	0	0	0	114.4	T173 G177 W179	T173-G175 PolarHBondContact O-N 3.01Å; T173-G175 VanDerWaalsContact O-N 3.12Å; G175-G177 VanDerWaalsContact C-N 3.31Å; G175-G177 PolarHBondContact O-N 2.63Å; G175-W179 WeakPolarHBondContact O-CB 3.46Å; G175-W179 PolarHBondContact O-N 3.1Å
176	A	94.7	Very high	97	Very high	31 Å²	31	61.8 Å²	61.8	26%	0.256	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-36.3	177.5	0	0	0	0	0	112.3	T173 D174 R180	T173-A176 WeakPolarHBondContact O-CB 3.46Å; T173-A176 PolarHBondContact O-N 3.39Å; D174-A176 VanDerWaalsContact C-N 3.29Å; D174-A176 PolarHBondContact O-N 2.87Å; A176-R180 VanDerWaalsContact O-CB 3.3Å; A176-R180 WeakPolarHBondContact O-CB 3.29Å; A176-R180 PolarHBondContact O-N 2.93Å
177	G	94.8	Very high	97	Very high	8 Å²	8	60.8 Å²	60.8	8%	0.082	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-59.9	174.3	0	0	0	0	0	112.2	Q172 G175 W179 R180 E181	Q172-G177 PolarHBondContact O-N 3.46Å; Q172-G177 VanDerWaalsContact OE1-CA 3.26Å; G175-G177 VanDerWaalsContact C-N 3.31Å; G175-G177 PolarHBondContact O-N 2.63Å; G177-W179 VanDerWaalsContact C-N 3.28Å; G177-W179 PolarHBondContact O-N 2.9Å; G177-R180 PolarHBondContact O-N 2.6Å; G177-R180 VanDerWaalsContact O-N 3.08Å; G177-E181 PolarHBondContact O-N 3.14Å
178	D	96	Very high	97	Very high	101 Å²	101	58.4 Å²	58.4	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-42.3	179.6	-58.1	-16.9	0	0	0	112.2	K182	D178-K182 WeakPolarHBondContact O-CB 3.15Å; D178-K182 PolarHBondContact O-N 2.81Å; D178-K182 VanDerWaalsContact O-N 3.08Å
179	W	97.9	Very high	97	Very high	103 Å²	103	58.4 Å²	58.4	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-44.1	177.5	175.5	82.6	0	0	0	111.8	G175 G177 K182 E183 R318 V319	G175-W179 WeakPolarHBondContact O-CB 3.46Å; G175-W179 PolarHBondContact O-N 3.1Å; G177-W179 VanDerWaalsContact C-N 3.28Å; G177-W179 PolarHBondContact O-N 2.9Å; W179-K182 PolarHBondContact O-N 3.48Å; W179-E183 HydrophobicContact CH2-CB 4.26Å; W179-E183 HydrophobicContact CH2-CG 4.15Å; W179-E183 HydrophobicContact CZ2-CB 4.07Å; W179-E183 HydrophobicContact CZ2-CG 4.03Å; W179-E183 WeakPolarHBondContact O-CB 3.39Å; W179-E183 PolarHBondContact O-N 2.72Å; W179-R318 HydrophobicContact CH2-CB 4.28Å; W179-R318 HydrophobicContact CH2-CG 3.57Å; W179-R318 HydrophobicContact CZ2-CG 4.47Å; W179-R318 HydrophobicContact CZ3-CG 4.13Å; W179-V319 HydrophobicContact CH2-CG2 3.85Å; W179-V319 HydrophobicContact CZ3-CG2 4.16Å
180	R	98.2	Very high	97.1	Very high	45 Å²	45	55.1 Å²	55.1	17%	0.17	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-42.5	-179.5	-168.3	-173.1	-60.9	97.3	2.9	111.2	S171 A176 G177 E183 A184 V319 P484	S171-R180 VanDerWaalsContact O-CZ 3.31Å; S171-R180 PolarHBondContact O-NH1 2.85Å; S171-R180 PolarHBondContact O-NH2 2.92Å; A176-R180 VanDerWaalsContact O-CB 3.3Å; A176-R180 WeakPolarHBondContact O-CB 3.29Å; A176-R180 PolarHBondContact O-N 2.93Å; G177-R180 PolarHBondContact O-N 2.6Å; G177-R180 VanDerWaalsContact O-N 3.08Å; R180-E183 PolarHBondContact O-N 3.45Å; R180-A184 VanDerWaalsContact O-CB 3.25Å; R180-A184 WeakPolarHBondContact O-CB 3.49Å; R180-A184 PolarHBondContact O-N 2.87Å; R180-V319 HydrophobicContact CG-CG1 3.9Å; R180-P484 HydrophobicContact CB-CB 4.36Å; R180-P484 HydrophobicContact CG-CB 3.78Å
181	E	98	Very high	97.1	Very high	121 Å²	121	53.3 Å²	53.3	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-60.5	-47.2	176.1	-175.2	-178.7	170.2	0	0	111.5	G177 A184 K185 P484	G177-E181 PolarHBondContact O-N 3.14Å; E181-A184 PolarHBondContact O-N 3.3Å; E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 PolarHBondContact O-N 2.8Å; E181-P484 HydrophobicContact CB-CG 3.88Å; E181-P484 HydrophobicContact CG-CG 4.22Å
182	K	98.4	Very high	97.2	Very high	135 Å²	135	52.8 Å²	52.8	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-59.6	-51.1	176.7	-178.5	-178.2	174.3	-177.6	0	111.9	D178 W179 A184 K185 D186	D178-K182 WeakPolarHBondContact O-CB 3.15Å; D178-K182 PolarHBondContact O-N 2.81Å; D178-K182 VanDerWaalsContact O-N 3.08Å; W179-K182 PolarHBondContact O-N 3.48Å; K182-A184 PolarHBondContact O-N 3.04Å; K182-K185 PolarHBondContact O-N 2.99Å; K182-D186 WeakPolarHBondContact O-CB 3.48Å; K182-D186 VanDerWaalsContact O-CG 3.26Å; K182-D186 PolarHBondContact O-N 2.88Å
183	E	98.6	Very high	97.3	Very high	27 Å²	27	53.7 Å²	53.7	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-39.4	-177.2	-179.2	67.9	-178.9	0	0	111.9	W179 R180 K185 D186 L187 R315 V319	W179-E183 HydrophobicContact CH2-CB 4.26Å; W179-E183 HydrophobicContact CH2-CG 4.15Å; W179-E183 HydrophobicContact CZ2-CB 4.07Å; W179-E183 HydrophobicContact CZ2-CG 4.03Å; W179-E183 WeakPolarHBondContact O-CB 3.39Å; W179-E183 PolarHBondContact O-N 2.72Å; R180-E183 PolarHBondContact O-N 3.45Å; E183-K185 VanDerWaalsContact C-N 3.34Å; E183-K185 PolarHBondContact O-N 2.82Å; E183-D186 PolarHBondContact O-N 3.21Å; E183-L187 HydrophobicContact CG-CD1 4.21Å; E183-L187 WeakPolarHBondContact O-CB 3.4Å; E183-L187 WeakPolarHBondContact O-CG 3.32Å; E183-L187 PolarHBondContact O-N 3.26Å; E183-R315 VanDerWaalsContact CD-NH2 3.26Å; E183-R315 IonicContact OE1-CZ 3.23Å; E183-R315 IonicContact OE1-NE 2.71Å; E183-R315 PolarHBondContact OE1-NE 2.76Å; E183-R315 IonicContact OE1-NH2 3.58Å; E183-R315 PolarHBondContact OE1-NH2 3.5Å; E183-R315 IonicContact OE2-NH2 3.81Å; E183-R315 PolarHBondContact OE2-NH2 3.42Å; E183-V319 HydrophobicContact CB-CG2 3.94Å; E183-V319 HydrophobicContact CG-CG2 3.4Å
184	A	98.6	Very high	97.6	Very high	7 Å²	7	53.6 Å²	53.6	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-40.6	175	0	0	0	0	0	112.1	R180 E181 K182 T188 V319 P484	R180-A184 VanDerWaalsContact O-CB 3.25Å; R180-A184 WeakPolarHBondContact O-CB 3.49Å; R180-A184 PolarHBondContact O-N 2.87Å; E181-A184 PolarHBondContact O-N 3.3Å; K182-A184 PolarHBondContact O-N 3.04Å; A184-T188 WeakPolarHBondContact O-CB 3.33Å; A184-T188 PolarHBondContact O-N 3.35Å; A184-T188 PolarHBondContact O-OG1 3.47Å; A184-V319 HydrophobicContact CB-CG1 3.75Å; A184-P484 HydrophobicContact CB-CB 4.11Å
185	K	98.6	Very high	97.8	Very high	123 Å²	123	50.1 Å²	50.1	54%	0.535	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-48.7	174.5	-176.8	177	175.2	178	0	111.3	E181 K182 E183 L187 T188 E189	E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 PolarHBondContact O-N 2.8Å; K182-K185 PolarHBondContact O-N 2.99Å; E183-K185 VanDerWaalsContact C-N 3.34Å; E183-K185 PolarHBondContact O-N 2.82Å; K185-L187 VanDerWaalsContact C-N 3.29Å; K185-L187 PolarHBondContact O-N 3.22Å; K185-T188 PolarHBondContact O-N 3.43Å; K185-T188 VanDerWaalsContact O-N 3.15Å; K185-E189 WeakPolarHBondContact CE-OE1 3.27Å; K185-E189 HydrophobicContact CG-CG 4.41Å; K185-E189 WeakPolarHBondContact O-CB 3.23Å; K185-E189 WeakPolarHBondContact O-CG 3.43Å; K185-E189 PolarHBondContact O-N 3.37Å
186	D	98.7	Very high	98.1	Very high	60 Å²	60	52.1 Å²	52.1	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-40.5	178.6	-70.8	-10.7	0	0	0	111.3	K182 E183 L190	K182-D186 WeakPolarHBondContact O-CB 3.48Å; K182-D186 VanDerWaalsContact O-CG 3.26Å; K182-D186 PolarHBondContact O-N 2.88Å; E183-D186 PolarHBondContact O-N 3.21Å; D186-L190 VanDerWaalsContact O-CB 3.29Å; D186-L190 WeakPolarHBondContact O-CB 3.29Å; D186-L190 PolarHBondContact O-N 3.43Å
187	L	98.8	Very high	98.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-44.2	175	-77.8	167.8	0	0	0	112.7	E183 K185 L190 V191 L312 R315 L316 V319 W326	E183-L187 HydrophobicContact CG-CD1 4.21Å; E183-L187 WeakPolarHBondContact O-CB 3.4Å; E183-L187 WeakPolarHBondContact O-CG 3.32Å; E183-L187 PolarHBondContact O-N 3.26Å; K185-L187 VanDerWaalsContact C-N 3.29Å; K185-L187 PolarHBondContact O-N 3.22Å; L187-L190 PolarHBondContact O-N 3.33Å; L187-V191 WeakPolarHBondContact O-CG2 3.26Å; L187-V191 PolarHBondContact O-N 2.87Å; L187-L312 HydrophobicContact CD2-CD2 4.15Å; L187-R315 HydrophobicContact CD1-CB 4.19Å; L187-R315 HydrophobicContact CD2-CB 4.02Å; L187-R315 VanDerWaalsContact CD2-CZ 3.4Å; L187-L316 HydrophobicContact CD1-CD2 4.01Å; L187-V319 HydrophobicContact CD1-CG2 4.46Å; L187-W326 HydrophobicContact CB-CH2 3.91Å; L187-W326 HydrophobicContact CB-CZ2 3.67Å
188	T	98.8	Very high	98.5	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.135	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-49.1	177.1	-62.4	0	0	0	0	110.1	A184 K185 L190 V191 Q192 K333	A184-T188 WeakPolarHBondContact O-CB 3.33Å; A184-T188 PolarHBondContact O-N 3.35Å; A184-T188 PolarHBondContact O-OG1 3.47Å; K185-T188 PolarHBondContact O-N 3.43Å; K185-T188 VanDerWaalsContact O-N 3.15Å; T188-L190 VanDerWaalsContact C-N 3.32Å; T188-L190 PolarHBondContact O-N 3.02Å; T188-V191 PolarHBondContact O-N 2.91Å; T188-Q192 HydrophobicContact CG2-CG 4.1Å; T188-Q192 WeakPolarHBondContact O-CB 3.44Å; T188-Q192 WeakPolarHBondContact O-CG 3.23Å; T188-Q192 PolarHBondContact O-N 2.88Å; T188-K333 HydrophobicContact CG2-CD 3.98Å
189	E	98.8	Very high	98.6	Very high	84 Å²	84	51 Å²	51	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-43.6	177.9	-72.9	-178.8	-173.3	0	0	112	K185 R193	K185-E189 WeakPolarHBondContact CE-OE1 3.27Å; K185-E189 HydrophobicContact CG-CG 4.41Å; K185-E189 WeakPolarHBondContact O-CB 3.23Å; K185-E189 WeakPolarHBondContact O-CG 3.43Å; K185-E189 PolarHBondContact O-N 3.37Å; E189-R193 VanDerWaalsContact O-CB 3.24Å; E189-R193 WeakPolarHBondContact O-CB 3.31Å; E189-R193 PolarHBondContact O-N 3.31Å
190	L	98.8	Very high	98.7	Very high	21 Å²	21	48 Å²	48	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-52.8	174.9	173.8	63	0	0	0	111.6	D186 L187 T188 R193 R194 L312 E574	D186-L190 VanDerWaalsContact O-CB 3.29Å; D186-L190 WeakPolarHBondContact O-CB 3.29Å; D186-L190 PolarHBondContact O-N 3.43Å; L187-L190 PolarHBondContact O-N 3.33Å; T188-L190 VanDerWaalsContact C-N 3.32Å; T188-L190 PolarHBondContact O-N 3.02Å; L190-R193 PolarHBondContact O-N 3.3Å; L190-R194 HydrophobicContact CD1-CG 4.44Å; L190-R194 WeakPolarHBondContact O-CG 3.35Å; L190-R194 PolarHBondContact O-N 3.25Å; L190-L312 HydrophobicContact CD2-CD2 3.99Å; L190-E574 VanDerWaalsContact CD1-OE1 3.3Å; L190-E574 WeakPolarHBondContact CD1-OE1 3.35Å
191	V	98.8	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-43.1	-177.3	175	0	0	0	0	111.2	L187 T188 R193 R194 I195 L312 W326 W327 Q330	L187-V191 WeakPolarHBondContact O-CG2 3.26Å; L187-V191 PolarHBondContact O-N 2.87Å; T188-V191 PolarHBondContact O-N 2.91Å; V191-R193 VanDerWaalsContact C-N 3.28Å; V191-R193 PolarHBondContact O-N 3.34Å; V191-R194 PolarHBondContact O-N 2.87Å; V191-I195 HydrophobicContact CG1-CD1 3.78Å; V191-I195 HydrophobicContact CG1-CG1 4.25Å; V191-I195 WeakPolarHBondContact O-CG1 3.42Å; V191-I195 PolarHBondContact O-N 3.29Å; V191-L312 HydrophobicContact CG2-CD1 3.66Å; V191-W326 HydrophobicContact CB-CH2 4.48Å; V191-W326 HydrophobicContact CG2-CH2 3.79Å; V191-W326 HydrophobicContact CG2-CZ3 4.13Å; V191-W327 HydrophobicContact CG1-CH2 4.37Å; V191-W327 HydrophobicContact CG1-CZ3 3.69Å; V191-W327 HydrophobicContact CG2-CZ3 4Å; V191-Q330 HydrophobicContact CB-CG 4.26Å; V191-Q330 HydrophobicContact CG1-CB 3.71Å; V191-Q330 HydrophobicContact CG1-CG 3.86Å
192	Q	98.9	Very high	98.7	Very high	30 Å²	30	52 Å²	52	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-36.3	176.9	-65.7	-55.3	-51.9	0	0	111.9	T188 T196 Q330 K333	T188-Q192 HydrophobicContact CG2-CG 4.1Å; T188-Q192 WeakPolarHBondContact O-CB 3.44Å; T188-Q192 WeakPolarHBondContact O-CG 3.23Å; T188-Q192 PolarHBondContact O-N 2.88Å; Q192-T196 WeakPolarHBondContact O-CB 3.36Å; Q192-T196 PolarHBondContact O-N 3Å; Q192-T196 PolarHBondContact O-OG1 3.02Å; Q192-Q330 PolarHBondContact NE2-O 2.93Å; Q192-K333 HydrophobicContact CG-CD 4.31Å
193	R	98.8	Very high	98.6	Very high	92 Å²	92	48.6 Å²	48.6	35%	0.347	23%	0.229	S	C	.	.	H	α-helix	trans	-64.7	-46.4	173.9	-164.3	-176.6	-54.4	130	1	111.7	E189 L190 V191 I195 T196 Y197 A573 E574	E189-R193 VanDerWaalsContact O-CB 3.24Å; E189-R193 WeakPolarHBondContact O-CB 3.31Å; E189-R193 PolarHBondContact O-N 3.31Å; L190-R193 PolarHBondContact O-N 3.3Å; V191-R193 VanDerWaalsContact C-N 3.28Å; V191-R193 PolarHBondContact O-N 3.34Å; R193-I195 PolarHBondContact O-N 3.48Å; R193-T196 PolarHBondContact O-N 3.43Å; R193-Y197 WeakPolarHBondContact O-CB 3.31Å; R193-Y197 PolarHBondContact O-N 3.3Å; R193-A573 WeakPolarHBondContact CD-O 3.4Å; R193-A573 HydrophobicContact CG-CB 4.31Å; R193-A573 WeakPolarHBondContact CG-O 3.31Å; R193-E574 IonicContact CZ-OE1 2.62Å; R193-E574 IonicContact CZ-OE2 3.82Å; R193-E574 IonicContact NH1-OE1 2.8Å; R193-E574 PolarHBondContact NH1-OE1 3.48Å; R193-E574 IonicContact NH1-OE2 3.28Å; R193-E574 PolarHBondContact NH1-OE2 3.39Å
194	R	98.8	Very high	98.6	Very high	21 Å²	21	48.4 Å²	48.4	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-44.6	175.6	-65.6	177.1	-179	-175.9	-5.2	112.1	L190 V191 Y197 L198 Y235 D311 T569 Y570 A573	L190-R194 HydrophobicContact CD1-CG 4.44Å; L190-R194 WeakPolarHBondContact O-CG 3.35Å; L190-R194 PolarHBondContact O-N 3.25Å; V191-R194 PolarHBondContact O-N 2.87Å; R194-Y197 PolarHBondContact O-N 2.92Å; R194-L198 PolarHBondContact O-N 3.27Å; R194-Y235 HydrophobicContact CB-CE2 4.04Å; R194-Y235 WeakPolarHBondContact CD-OH 3.29Å; R194-D311 IonicContact CZ-OD2 3.45Å; R194-D311 IonicContact NH1-OD1 3.13Å; R194-D311 IonicContact NH1-OD2 4Å; R194-D311 PolarHBondContact NH1-OD2 2.84Å; R194-D311 IonicContact NH2-OD2 3.27Å; R194-D311 PolarHBondContact NH2-OD2 3.37Å; R194-T569 WeakPolarHBondContact CD-O 3.29Å; R194-T569 VanDerWaalsContact CZ-O 3.24Å; R194-T569 PolarHBondContact NE-O 3.26Å; R194-Y570 HydrophobicContact CB-CD2 4.15Å; R194-Y570 HydrophobicContact CB-CG 4.44Å; R194-A573 HydrophobicContact CG-CB 4.49Å
195	I	98.9	Very high	98.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-46.3	176.5	-67	170.4	0	0	0	110.3	V191 R193 Y197 L198 Q199 F231 Y235 F331 Y334	V191-I195 HydrophobicContact CG1-CD1 3.78Å; V191-I195 HydrophobicContact CG1-CG1 4.25Å; V191-I195 WeakPolarHBondContact O-CG1 3.42Å; V191-I195 PolarHBondContact O-N 3.29Å; R193-I195 PolarHBondContact O-N 3.48Å; I195-Y197 VanDerWaalsContact C-N 3.33Å; I195-Y197 PolarHBondContact O-N 3.32Å; I195-L198 PolarHBondContact O-N 3.04Å; I195-Q199 HydrophobicContact CG2-CG 4.27Å; I195-Q199 WeakPolarHBondContact O-CB 3.3Å; I195-Q199 WeakPolarHBondContact O-CG 3.21Å; I195-Q199 PolarHBondContact O-N 3.47Å; I195-F231 HydrophobicContact CG2-CE1 4.15Å; I195-F231 HydrophobicContact CG2-CE2 3.87Å; I195-F231 HydrophobicContact CG2-CZ 3.37Å; I195-Y235 HydrophobicContact CG1-CD2 3.95Å; I195-Y235 HydrophobicContact CG1-CE2 3.9Å; I195-F331 HydrophobicContact CD1-CD1 4.08Å; I195-F331 HydrophobicContact CD1-CE1 4.07Å; I195-F331 HydrophobicContact CG1-CE1 4.34Å; I195-Y334 HydrophobicContact CB-CD2 4.21Å; I195-Y334 HydrophobicContact CB-CE2 4.5Å; I195-Y334 HydrophobicContact CG2-CD1 4.03Å; I195-Y334 HydrophobicContact CG2-CD2 3.48Å; I195-Y334 VanDerWaalsContact CG2-CD2 3.48Å; I195-Y334 HydrophobicContact CG2-CE1 4.21Å; I195-Y334 HydrophobicContact CG2-CE2 3.72Å; I195-Y334 HydrophobicContact CG2-CG 3.63Å
196	T	98.8	Very high	98.6	Very high	63 Å²	63	52.8 Å²	52.8	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-42.7	178.9	-57.8	0	0	0	0	111.4	Q192 R193 Q199 N200	Q192-T196 WeakPolarHBondContact O-CB 3.36Å; Q192-T196 PolarHBondContact O-N 3Å; Q192-T196 PolarHBondContact O-OG1 3.02Å; R193-T196 PolarHBondContact O-N 3.43Å; T196-Q199 PolarHBondContact O-N 3.06Å; T196-N200 WeakPolarHBondContact O-CB 3.43Å; T196-N200 PolarHBondContact O-N 2.97Å; T196-N200 VanDerWaalsContact O-N 3.12Å; T196-N200 PolarHBondContact O-ND2 3.27Å
197	Y	98.8	Very high	98.6	Very high	106 Å²	106	50.5 Å²	50.5	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-50.3	174.9	172.5	-91.2	0	0	0	111.8	R193 R194 I195 Q199 N200 Y570 E572 A573	R193-Y197 WeakPolarHBondContact O-CB 3.31Å; R193-Y197 PolarHBondContact O-N 3.3Å; R194-Y197 PolarHBondContact O-N 2.92Å; I195-Y197 VanDerWaalsContact C-N 3.33Å; I195-Y197 PolarHBondContact O-N 3.32Å; Y197-Q199 VanDerWaalsContact C-N 3.31Å; Y197-Q199 PolarHBondContact O-N 2.87Å; Y197-N200 PolarHBondContact O-N 3.38Å; Y197-Y570 AromaticContact CD1-CD1 3.88Å; Y197-Y570 HydrophobicContact CD1-CD1 3.88Å; Y197-Y570 HydrophobicContact CD1-CG 4.48Å; Y197-Y570 HydrophobicContact CE1-CD1 4.03Å; Y197-E572 HydrophobicContact CE1-CB 4.3Å; Y197-E572 HydrophobicContact CE2-CB 3.72Å; Y197-E572 WeakPolarHBondContact OH-CB 3.41Å; Y197-A573 HydrophobicContact CD1-CB 4.48Å; Y197-A573 HydrophobicContact CD2-CB 4.23Å; Y197-A573 HydrophobicContact CG-CB 3.86Å
198	L	98.8	Very high	98.6	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-42	178.2	173.3	65.5	0	0	0	112.3	R194 I195 N200 Y235 T240 Y570	R194-L198 PolarHBondContact O-N 3.27Å; I195-L198 PolarHBondContact O-N 3.04Å; L198-N200 VanDerWaalsContact C-N 3.3Å; L198-N200 PolarHBondContact O-N 3.5Å; L198-Y235 HydrophobicContact CD2-CD2 3.98Å; L198-Y235 HydrophobicContact CD2-CG 4.37Å; L198-T240 PolarHBondContact O-OG1 2.89Å; L198-Y570 HydrophobicContact CB-CE1 4.23Å; L198-Y570 HydrophobicContact CD1-CE1 3.95Å
199	Q	98.8	Very high	98.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-73.8	-21	-176.2	-75.7	-56.1	103.2	0	0	113.3	I195 T196 Y197 P201 F231 L241 V262 S263 Y334	I195-Q199 HydrophobicContact CG2-CG 4.27Å; I195-Q199 WeakPolarHBondContact O-CB 3.3Å; I195-Q199 WeakPolarHBondContact O-CG 3.21Å; I195-Q199 PolarHBondContact O-N 3.47Å; T196-Q199 PolarHBondContact O-N 3.06Å; Y197-Q199 VanDerWaalsContact C-N 3.31Å; Y197-Q199 PolarHBondContact O-N 2.87Å; Q199-P201 WeakPolarHBondContact O-CD 3.4Å; Q199-F231 HydrophobicContact CG-CE2 3.77Å; Q199-F231 HydrophobicContact CG-CZ 3.58Å; Q199-L241 PolarHBondContact NE2-O 3.25Å; Q199-V262 WeakPolarHBondContact CB-O 3.41Å; Q199-V262 WeakPolarHBondContact CG-O 3.41Å; Q199-V262 PolarHBondContact NE2-O 3.37Å; Q199-S263 WeakPolarHBondContact O-CB 3.03Å; Q199-S263 PolarHBondContact O-OG 2.83Å; Q199-Y334 HydrophobicContact CG-CE1 4.04Å
200	N	98.7	Very high	98.6	Very high	39 Å²	39	49.8 Å²	49.8	21%	0.209	24%	0.239	C	C	.	.			trans	-119.4	66.7	-172.7	-63	-78.5	0	0	0	112.3	T196 Y197 L198 E264 T265	T196-N200 WeakPolarHBondContact O-CB 3.43Å; T196-N200 PolarHBondContact O-N 2.97Å; T196-N200 VanDerWaalsContact O-N 3.12Å; T196-N200 PolarHBondContact O-ND2 3.27Å; Y197-N200 PolarHBondContact O-N 3.38Å; L198-N200 VanDerWaalsContact C-N 3.3Å; L198-N200 PolarHBondContact O-N 3.5Å; N200-E264 WeakPolarHBondContact OD1-CB 3.21Å; N200-E264 PolarHBondContact OD1-N 3.09Å; N200-T265 VanDerWaalsContact C-OG1 3.23Å; N200-T265 WeakPolarHBondContact CA-OG1 3.37Å; N200-T265 HydrophobicContact CB-CG2 4.14Å; N200-T265 PolarHBondContact OD1-N 3.37Å
201	P	98.4	Very high	98.6	Very high	27 Å²	27	49.1 Å²	49.1	18%	0.175	24%	0.236	C	C	.	.			trans	-64.8	149.2	175.6	30.4	-35.6	0	0	0	110.8	Q199 D203 A207 T265 C266	Q199-P201 WeakPolarHBondContact O-CD 3.4Å; P201-D203 VanDerWaalsContact C-N 3.33Å; P201-D203 PolarHBondContact O-N 3.25Å; P201-A207 HydrophobicContact CB-CB 3.85Å; P201-A207 HydrophobicContact CG-CB 3.64Å; P201-T265 PolarHBondContact O-OG1 2.61Å; P201-C266 HydrophobicContact CG-CB 3.63Å
202	K	97.4	Very high	98.6	Very high	223 Å²	223	49.1 Å²	49.1	97%	0.97	24%	0.236	S	C	*	.	S	Bend	trans	-65.5	-34.8	178.2	-65.6	-176.2	179.8	-179.8	0	113.2
203	D	97.9	Very high	98.5	Very high	65 Å²	65	51 Å²	51	35%	0.348	25%	0.247	S	C	.	.			trans	-128.3	96.7	-179.5	-175.9	-9.5	0	0	0	109.3	P201 S205 K206 A207	P201-D203 VanDerWaalsContact C-N 3.33Å; P201-D203 PolarHBondContact O-N 3.25Å; D203-S205 PolarHBondContact O-N 2.79Å; D203-S205 WeakPolarHBondContact OD1-CB 3.38Å; D203-S205 PolarHBondContact OD1-N 3.39Å; D203-S205 VanDerWaalsContact OD1-N 3.09Å; D203-S205 PolarHBondContact OD1-OG 3.22Å; D203-K206 PolarHBondContact O-N 2.59Å; D203-K206 VanDerWaalsContact OD2-CD 3.23Å; D203-K206 WeakPolarHBondContact OD2-CD 3.41Å; D203-K206 VanDerWaalsContact OD2-CE 3.26Å; D203-K206 WeakPolarHBondContact OD2-CE 3.11Å; D203-K206 IonicContact OD2-NZ 3.85Å; D203-K206 PolarHBondContact OD2-NZ 3.3Å; D203-K206 VanDerWaalsContact OD2-NZ 3.12Å; D203-A207 PolarHBondContact O-N 3.24Å; D203-A207 VanDerWaalsContact O-N 3.14Å
204	C	98.4	Very high	98.5	Very high	23 Å²	23	46.6 Å²	46.6	16%	0.155	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.2	-179.4	-175.3	0	0	0	0	112.8	K206 A207 K209 C266	C204-K206 PolarHBondContact O-N 3.02Å; C204-A207 PolarHBondContact O-N 3.38Å; C204-K209 WeakPolarHBondContact O-CE 3.43Å; C204-K209 PolarHBondContact O-NZ 3.28Å; C204-C266 WeakPolarHBondContact CA-SG 3.31Å; C204-C266 HydrophobicContact CB-CB 3.5Å; C204-C266 VanDerWaalsContact CB-CB 3.5Å; C204-C266 WeakPolarHBondContact CB-SG 3.28Å; C204-C266 WeakPolarHBondContact SG-CA 3.41Å; C204-C266 WeakPolarHBondContact SG-CB 3.45Å; C204-C266 CovalentContact SG-SG 2.04Å; C204-C266 PolarHBondContact SG-SG 2.81Å
205	S	97.9	Very high	98.4	Very high	64 Å²	64	48 Å²	48	45%	0.448	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.2	-179.2	75.6	0	0	0	0	112.8	D203 Q287	D203-S205 PolarHBondContact O-N 2.79Å; D203-S205 WeakPolarHBondContact OD1-CB 3.38Å; D203-S205 PolarHBondContact OD1-N 3.39Å; D203-S205 VanDerWaalsContact OD1-N 3.09Å; D203-S205 PolarHBondContact OD1-OG 3.22Å; S205-Q287 PolarHBondContact O-NE2 3.37Å
206	K	97.9	Very high	98.3	Very high	158 Å²	158	49.8 Å²	49.8	69%	0.687	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-8.5	-179.3	-63.3	-179.9	-167.2	148.2	0	114	D203 C204 Q287	D203-K206 PolarHBondContact O-N 2.59Å; D203-K206 VanDerWaalsContact OD2-CD 3.23Å; D203-K206 WeakPolarHBondContact OD2-CD 3.41Å; D203-K206 VanDerWaalsContact OD2-CE 3.26Å; D203-K206 WeakPolarHBondContact OD2-CE 3.11Å; D203-K206 IonicContact OD2-NZ 3.85Å; D203-K206 PolarHBondContact OD2-NZ 3.3Å; D203-K206 VanDerWaalsContact OD2-NZ 3.12Å; C204-K206 PolarHBondContact O-N 3.02Å; K206-Q287 VanDerWaalsContact C-NE2 3.34Å
207	A	98.4	Very high	98	Very high	12 Å²	12	50.2 Å²	50.2	10%	0.099	26%	0.264	C	S	.	.	S	Bend	trans	-61.4	144.3	177.4	0	0	0	0	0	110.9	P201 D203 C204 Q287	P201-A207 HydrophobicContact CB-CB 3.85Å; P201-A207 HydrophobicContact CG-CB 3.64Å; D203-A207 PolarHBondContact O-N 3.24Å; D203-A207 VanDerWaalsContact O-N 3.14Å; C204-A207 PolarHBondContact O-N 3.38Å; A207-Q287 VanDerWaalsContact O-CG 3.27Å; A207-Q287 WeakPolarHBondContact O-CG 3.43Å; A207-Q287 PolarHBondContact O-NE2 3.19Å
208	K	98.7	Very high	97.8	Very high	91 Å²	91	46.4 Å²	46.4	40%	0.396	25%	0.252	S	S	.	.			trans	-77.4	134.7	164.7	-66.8	-165.4	-178.2	-172.7	0	108.5	R239 T240 K284 Q287	K208-R239 HydrophobicContact CB-CG 4.04Å; K208-R239 CarbonylContact O-C 3.43Å; K208-R239 WeakPolarHBondContact O-CA 3.46Å; K208-T240 PolarHBondContact O-N 2.73Å; K208-K284 PolarHBondContact NZ-O 3.47Å; K208-Q287 CarbonylContact C-O 3.53Å; K208-Q287 WeakPolarHBondContact CA-O 3.42Å
209	K	98.8	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.4	-170.5	-56.6	176.2	-170.8	-178.6	0	110.6	C204 R239 T240 I242 D268 S270 Q287 V288 V289	C204-K209 WeakPolarHBondContact O-CE 3.43Å; C204-K209 PolarHBondContact O-NZ 3.28Å; K209-R239 PolarHBondContact O-NH1 3.47Å; K209-T240 CarbonylContact C-O 3.59Å; K209-T240 VanDerWaalsContact CA-O 3.32Å; K209-T240 WeakPolarHBondContact CA-O 3.46Å; K209-I242 HydrophobicContact CB-CG1 3.91Å; K209-I242 HydrophobicContact CD-CD1 4.28Å; K209-I242 HydrophobicContact CD-CG1 4.06Å; K209-I242 HydrophobicContact CG-CD1 4.46Å; K209-I242 HydrophobicContact CG-CG1 4.14Å; K209-D268 WeakPolarHBondContact CD-O 3.46Å; K209-D268 WeakPolarHBondContact CE-O 3.15Å; K209-D268 PolarHBondContact NZ-O 3.21Å; K209-D268 IonicContact NZ-OD1 2.77Å; K209-S270 WeakPolarHBondContact CE-O 3.43Å; K209-S270 PolarHBondContact NZ-O 3.27Å; K209-Q287 PolarHBondContact N-O 2.87Å; K209-V288 HydrophobicContact CB-CB 4.48Å; K209-V288 HydrophobicContact CB-CG1 4.22Å; K209-V288 HydrophobicContact CB-CG2 4.19Å; K209-V288 HydrophobicContact CD-CG2 4.1Å; K209-V288 HydrophobicContact CG-CG2 4.49Å; K209-V289 PolarHBondContact O-N 3.01Å
210	L	98.9	Very high	97.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119	168.2	-173.8	149.4	0	0	0	108	C230 I233 A234 R239 T240 L241 I242 V289 L291	L210-C230 HydrophobicContact CD2-CB 4.29Å; L210-I233 HydrophobicContact CD1-CB 4.44Å; L210-I233 HydrophobicContact CD1-CG2 3.79Å; L210-A234 HydrophobicContact CB-CB 4.09Å; L210-A234 HydrophobicContact CD1-CB 4.31Å; L210-A234 HydrophobicContact CD2-CB 4.34Å; L210-A234 HydrophobicContact CG-CB 4.49Å; L210-R239 HydrophobicContact CB-CB 3.82Å; L210-T240 PolarHBondContact N-O 2.63Å; L210-L241 HydrophobicContact CD2-CD1 4.08Å; L210-I242 PolarHBondContact O-N 2.97Å; L210-V289 CarbonylContact C-O 3.54Å; L210-V289 WeakPolarHBondContact CA-O 3.29Å; L210-L291 HydrophobicContact CD1-CB 4.39Å; L210-L291 HydrophobicContact CD1-CD1 4.49Å; L210-L291 HydrophobicContact CD1-CD2 4.28Å; L210-L291 HydrophobicContact CD2-CB 3.74Å; L210-L291 HydrophobicContact CD2-CD2 3.91Å; L210-L291 HydrophobicContact CD2-CG 4.43Å; L210-L291 HydrophobicContact CG-CB 4.13Å
211	V	98.9	Very high	97.4	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.3	-178.4	-177.8	0	0	0	0	109	I242 E244 R269 V288 V289 E290 L291	V211-I242 WeakPolarHBondContact CA-O 3.19Å; V211-I242 HydrophobicContact CG2-CB 4.32Å; V211-E244 HydrophobicContact CG1-CG 3.87Å; V211-R269 HydrophobicContact CG2-CB 4.23Å; V211-V288 HydrophobicContact CG2-CG1 3.49Å; V211-V288 VanDerWaalsContact CG2-CG1 3.49Å; V211-V289 PolarHBondContact N-O 3.41Å; V211-E290 HydrophobicContact CB-CG 4.24Å; V211-L291 PolarHBondContact O-N 2.96Å
212	C	98.8	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.9	175.8	-173.7	0	0	0	0	109.4	C230 L241 I242 E244	C212-C230 HydrophobicContact CB-CB 3.43Å; C212-C230 VanDerWaalsContact CB-CB 3.43Å; C212-C230 WeakPolarHBondContact CB-SG 3.49Å; C212-C230 WeakPolarHBondContact SG-CB 3.49Å; C212-C230 CovalentContact SG-SG 2.04Å; C212-C230 PolarHBondContact SG-SG 3.44Å; C212-L241 HydrophobicContact CB-CD1 3.74Å; C212-I242 PolarHBondContact N-O 3.06Å; C212-E244 PolarHBondContact O-N 3.4Å
213	N	98.4	Very high	97.4	Very high	69 Å²	69	35 Å²	35	37%	0.369	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.4	179	-168.2	-53.4	0	0	0	110.2	N215 H226	N213-N215 PolarHBondContact O-N 3.16Å; N213-N215 VanDerWaalsContact O-N 3.15Å; N213-N215 VanDerWaalsContact OD1-CB 3.31Å; N213-N215 WeakPolarHBondContact OD1-CB 3.45Å; N213-N215 PolarHBondContact OD1-N 3.22Å; N213-N215 PolarHBondContact OD1-ND2 3.4Å; N213-H226 PolarHBondContact O-CD2 3.47Å; N213-H226 VanDerWaalsContact O-CD2 3.24Å; N213-H226 PolarHBondContact O-NE2 3.23Å
214	I	97.9	Very high	97.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.193	C	C	.	.	S	Bend	trans	-66.3	-19.2	-174.3	-162.8	166	0	0	0	113.7	K216 Q223 V227 L243 E244 W248 W255	I214-K216 PolarHBondContact O-N 3.09Å; I214-Q223 HydrophobicContact CG1-CB 4.34Å; I214-V227 HydrophobicContact CB-CG2 4.46Å; I214-V227 HydrophobicContact CD1-CG2 4.29Å; I214-V227 HydrophobicContact CG1-CG2 3.96Å; I214-L243 HydrophobicContact CB-CD1 4.23Å; I214-E244 PolarHBondContact N-O 3.01Å; I214-W248 HydrophobicContact CD1-CD2 4.03Å; I214-W248 HydrophobicContact CD1-CE3 4.48Å; I214-W248 HydrophobicContact CD1-CG 4.44Å; I214-W248 HydrophobicContact CD1-CH2 4.32Å; I214-W248 HydrophobicContact CD1-CZ2 3.85Å; I214-W248 HydrophobicContact CG2-CB 4.04Å; I214-W248 HydrophobicContact CG2-CG 3.89Å; I214-W255 HydrophobicContact CD1-CE3 3.62Å; I214-W255 HydrophobicContact CD1-CZ3 4.01Å
215	N	96.8	Very high	97.4	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.262	19%	0.187	S	C	.	.			trans	-77.4	39.5	-167.6	-70.4	-52.9	0	0	0	115.1	N213 Q246 N247 W248	N213-N215 PolarHBondContact O-N 3.16Å; N213-N215 VanDerWaalsContact O-N 3.15Å; N213-N215 VanDerWaalsContact OD1-CB 3.31Å; N213-N215 WeakPolarHBondContact OD1-CB 3.45Å; N213-N215 PolarHBondContact OD1-N 3.22Å; N213-N215 PolarHBondContact OD1-ND2 3.4Å; N215-Q246 PolarHBondContact ND2-O 3.08Å; N215-N247 PolarHBondContact OD1-O 3.36Å; N215-W248 VanDerWaalsContact OD1-CA 3.29Å; N215-W248 WeakPolarHBondContact OD1-CA 3.37Å
216	K	95.8	Very high	97.5	Very high	38 Å²	38	28.8 Å²	28.8	17%	0.165	17%	0.168	C	C	.	.			trans	-57.9	142.4	167.7	-171.4	172.4	-173.6	-179.9	0	110.2	I214 C218 Q223 H226 R249 I293 D295	I214-K216 PolarHBondContact O-N 3.09Å; K216-C218 PolarHBondContact O-N 3.35Å; K216-Q223 HydrophobicContact CB-CG 4.44Å; K216-Q223 PolarHBondContact O-NE2 2.7Å; K216-H226 HydrophobicContact CB-CB 4.48Å; K216-H226 HydrophobicContact CD-CB 4.06Å; K216-R249 PolarHBondContact O-NH2 3.39Å; K216-I293 HydrophobicContact CB-CG2 4.27Å; K216-I293 HydrophobicContact CD-CB 4.38Å; K216-I293 HydrophobicContact CD-CG2 3.92Å; K216-I293 HydrophobicContact CG-CG2 3.91Å; K216-D295 WeakPolarHBondContact CE-OD2 3.44Å; K216-D295 IonicContact NZ-OD2 3.59Å; K216-D295 PolarHBondContact NZ-OD2 3.42Å
217	G	94.4	Very high	97.5	Very high	72 Å²	72	21.3 Å²	21.3	74%	0.742	14%	0.135	S	C	*	.	S	Bend	trans	-66.2	45.8	-178	0	0	0	0	0	116.5
218	C	94.1	Very high	97.6	Very high	26 Å²	26	20.7 Å²	20.7	18%	0.176	13%	0.131	C	C	.	.	S	Bend	trans	-148.9	-175.2	-176.2	57.1	0	0	0	0	112.6	K216 C222 R249	K216-C218 PolarHBondContact O-N 3.35Å; C218-C222 HydrophobicContact CB-CB 3.59Å; C218-C222 WeakPolarHBondContact CB-SG 3.48Å; C218-C222 WeakPolarHBondContact SG-CB 3.33Å; C218-C222 CovalentContact SG-SG 2.03Å; C218-C222 PolarHBondContact SG-SG 3.39Å; C218-R249 VanDerWaalsContact N-NH1 3.19Å; C218-R249 PolarHBondContact O-NH1 2.97Å
219	G	93.5	Very high	97.6	Very high	26 Å²	26	16.5 Å²	16.5	27%	0.268	11%	0.112	S	C	.	.			trans	-79.1	176	177.8	0	0	0	0	0	114.3	G221 C222 Q223 Y250	G219-G221 PolarHBondContact O-N 3.26Å; G219-C222 WeakPolarHBondContact O-CB 3.33Å; G219-C222 PolarHBondContact O-N 2.87Å; G219-C222 VanDerWaalsContact O-N 3.14Å; G219-Q223 PolarHBondContact O-N 3.03Å; G219-Y250 VanDerWaalsContact CA-OH 3.31Å; G219-Y250 WeakPolarHBondContact CA-OH 3.26Å
220	Y	97	Very high	97.6	Very high	9 Å²	9	16.5 Å²	16.5	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-50.4	-55.2	-172.3	171.3	-101.9	0	0	0	113.6	C222 Q223 L224 W248 Y250 F259 L447 V450 I451 I454	Y220-C222 VanDerWaalsContact C-N 3.29Å; Y220-C222 PolarHBondContact O-N 3.18Å; Y220-Q223 PolarHBondContact O-N 2.95Å; Y220-L224 HydrophobicContact CE1-CD2 4.31Å; Y220-L224 PolarHBondContact O-N 3.22Å; Y220-W248 HydrophobicContact CD2-CH2 4.26Å; Y220-W248 AromaticContact CD2-CZ2 3.99Å; Y220-W248 HydrophobicContact CD2-CZ2 3.99Å; Y220-W248 HydrophobicContact CE2-CH2 4.2Å; Y220-W248 HydrophobicContact CE2-CZ2 4.31Å; Y220-Y250 VanDerWaalsContact N-CE2 3.33Å; Y220-Y250 PolarHBondContact N-OH 3.12Å; Y220-F259 HydrophobicContact CE2-CE2 4.38Å; Y220-F259 WeakPolarHBondContact OH-CZ 3.42Å; Y220-L447 HydrophobicContact CD2-CD1 3.48Å; Y220-L447 VanDerWaalsContact CD2-CD1 3.48Å; Y220-L447 HydrophobicContact CE2-CD1 3.74Å; Y220-L447 HydrophobicContact CG-CD1 4.29Å; Y220-V450 HydrophobicContact CD1-CG1 3.96Å; Y220-V450 HydrophobicContact CD1-CG2 4.24Å; Y220-V450 HydrophobicContact CG-CG1 4.01Å; Y220-I451 HydrophobicContact CE1-CG1 4.47Å; Y220-I451 HydrophobicContact CE2-CG1 4.35Å; Y220-I454 HydrophobicContact CD1-CD1 3.82Å; Y220-I454 HydrophobicContact CE1-CD1 3.58Å
221	G	96.9	Very high	97.6	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-38.3	-178.3	0	0	0	0	0	113.1	G219 L224 H225	G219-G221 PolarHBondContact O-N 3.26Å; G221-L224 PolarHBondContact O-N 2.86Å; G221-H225 PolarHBondContact O-N 3.4Å
222	C	97.4	Very high	97.6	Very high	23 Å²	23	16.2 Å²	16.2	16%	0.155	11%	0.111	C	C	.	.	H	α-helix	trans	-68.5	-37.1	175	165.9	0	0	0	0	112.6	C218 G219 Y220 H226 Q470	C218-C222 HydrophobicContact CB-CB 3.59Å; C218-C222 WeakPolarHBondContact CB-SG 3.48Å; C218-C222 WeakPolarHBondContact SG-CB 3.33Å; C218-C222 CovalentContact SG-SG 2.03Å; C218-C222 PolarHBondContact SG-SG 3.39Å; G219-C222 WeakPolarHBondContact O-CB 3.33Å; G219-C222 PolarHBondContact O-N 2.87Å; G219-C222 VanDerWaalsContact O-N 3.14Å; Y220-C222 VanDerWaalsContact C-N 3.29Å; Y220-C222 PolarHBondContact O-N 3.18Å; C222-H226 PolarHBondContact O-N 2.03Å; C222-Q470 HydrophobicContact CB-CG 4.08Å
223	Q	98.3	Very high	97.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-68.6	-40.7	174.5	-69.8	179.6	-32.6	0	0	111.6	I214 K216 G219 Y220 H226 V227 R249	I214-Q223 HydrophobicContact CG1-CB 4.34Å; K216-Q223 HydrophobicContact CB-CG 4.44Å; K216-Q223 PolarHBondContact O-NE2 2.7Å; G219-Q223 PolarHBondContact O-N 3.03Å; Y220-Q223 PolarHBondContact O-N 2.95Å; Q223-H226 WeakPolarHBondContact O-CB 2.96Å; Q223-H226 PolarHBondContact O-N 3.24Å; Q223-H226 VanDerWaalsContact O-N 3.15Å; Q223-V227 WeakPolarHBondContact O-CG2 3.5Å; Q223-V227 PolarHBondContact O-N 1.99Å; Q223-R249 VanDerWaalsContact NE2-NE 3.14Å
224	L	98.8	Very high	97.6	Very high	2 Å²	2	13 Å²	13	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-46.3	174.1	-177.6	60	0	0	0	111.2	Y220 G221 H226 V227 V228 W255 L335 I336 V474	Y220-L224 HydrophobicContact CE1-CD2 4.31Å; Y220-L224 PolarHBondContact O-N 3.22Å; G221-L224 PolarHBondContact O-N 2.86Å; L224-H226 VanDerWaalsContact C-N 3.27Å; L224-H226 PolarHBondContact O-N 3.31Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-V227 VanDerWaalsContact O-N 3.08Å; L224-V228 WeakPolarHBondContact O-CG2 2.98Å; L224-V228 PolarHBondContact O-N 3.12Å; L224-W255 HydrophobicContact CD1-CH2 3.9Å; L224-W255 HydrophobicContact CD1-CZ3 4.38Å; L224-L335 HydrophobicContact CD1-CB 4.4Å; L224-L335 HydrophobicContact CD1-CD1 4.19Å; L224-I336 HydrophobicContact CD1-CG2 4.41Å; L224-I336 HydrophobicContact CD2-CG2 4.22Å; L224-V474 HydrophobicContact CD2-CG1 3.66Å; L224-V474 HydrophobicContact CD2-CG2 4.14Å
225	H	98.8	Very high	97.6	Very high	10 Å²	10	13 Å²	13	5%	0.046	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-34.5	173.4	-73.9	161.4	0	0	0	112.8	G221 V228 Y229 E477 F499	G221-H225 PolarHBondContact O-N 3.4Å; H225-V228 PolarHBondContact O-N 2.94Å; H225-Y229 WeakPolarHBondContact O-CB 2.93Å; H225-Y229 PolarHBondContact O-N 2.8Å; H225-E477 IonicContact CD2-OE1 3.04Å; H225-E477 IonicContact CD2-OE2 3.26Å; H225-E477 PolarHBondContact CD2-OE2 3.4Å; H225-E477 IonicContact CE1-OE1 3.99Å; H225-E477 IonicContact CE1-OE2 3.94Å; H225-E477 VanDerWaalsContact NE2-CD 3.27Å; H225-E477 IonicContact NE2-OE1 3.87Å; H225-E477 PolarHBondContact NE2-OE1 2.92Å; H225-E477 IonicContact NE2-OE2 2.69Å; H225-E477 PolarHBondContact NE2-OE2 2.95Å; H225-F499 HydrophobicContact CB-CE2 4.09Å; H225-F499 HydrophobicContact CB-CZ 4.04Å; H225-F499 AromaticContact CD2-CE2 3.73Å; H225-F499 AromaticContact CG-CE2 4Å; H225-F499 VanDerWaalsContact O-CZ 3.29Å; H225-F499 WeakPolarHBondContact O-CZ 3.03Å
226	H	98.8	Very high	97.7	Very high	9 Å²	9	10.7 Å²	10.7	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-45	171.6	175.2	47.1	0	0	0	112	N213 K216 C222 Q223 L224 Y229 C230	N213-H226 PolarHBondContact O-CD2 3.47Å; N213-H226 VanDerWaalsContact O-CD2 3.24Å; N213-H226 PolarHBondContact O-NE2 3.23Å; K216-H226 HydrophobicContact CB-CB 4.48Å; K216-H226 HydrophobicContact CD-CB 4.06Å; C222-H226 PolarHBondContact O-N 2.03Å; Q223-H226 WeakPolarHBondContact O-CB 2.96Å; Q223-H226 PolarHBondContact O-N 3.24Å; Q223-H226 VanDerWaalsContact O-N 3.15Å; L224-H226 VanDerWaalsContact C-N 3.27Å; L224-H226 PolarHBondContact O-N 3.31Å; H226-Y229 AromaticContact ND1-CD1 3.74Å; H226-Y229 WeakPolarHBondContact O-CB 3.05Å; H226-Y229 WeakPolarHBondContact O-CD1 3.33Å; H226-Y229 PolarHBondContact O-N 3.23Å; H226-C230 VanDerWaalsContact CE1-SG 3.54Å; H226-C230 PolarHBondContact O-N 3.06Å; H226-C230 PolarHBondContact O-SG 3.38Å; H226-C230 VanDerWaalsContact O-SG 3.42Å
227	V	98.8	Very high	97.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.5	-40.2	177.2	-177.2	0	0	0	0	111.2	I214 Q223 L224 Y229 C230 F231 L241 L243 L335	I214-V227 HydrophobicContact CB-CG2 4.46Å; I214-V227 HydrophobicContact CD1-CG2 4.29Å; I214-V227 HydrophobicContact CG1-CG2 3.96Å; Q223-V227 WeakPolarHBondContact O-CG2 3.5Å; Q223-V227 PolarHBondContact O-N 1.99Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-V227 VanDerWaalsContact O-N 3.08Å; V227-Y229 PolarHBondContact O-N 2.98Å; V227-C230 WeakPolarHBondContact O-CB 3.37Å; V227-C230 PolarHBondContact O-N 3.36Å; V227-F231 WeakPolarHBondContact O-CB 3.49Å; V227-F231 PolarHBondContact O-N 3.39Å; V227-L241 HydrophobicContact CG1-CD2 4.37Å; V227-L243 HydrophobicContact CG1-CD1 4.03Å; V227-L243 HydrophobicContact CG1-CD2 4.3Å; V227-L243 HydrophobicContact CG2-CD1 3.8Å; V227-L335 HydrophobicContact CB-CD1 4.21Å; V227-L335 HydrophobicContact CG1-CD1 3.75Å; V227-L335 HydrophobicContact CG1-CD2 3.68Å; V227-L335 HydrophobicContact CG1-CG 4.38Å
228	V	98.9	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-45.5	174.3	170.4	0	0	0	0	111.3	L224 H225 C230 F231 M232 V328 F331 V332 L335 F499	L224-V228 WeakPolarHBondContact O-CG2 2.98Å; L224-V228 PolarHBondContact O-N 3.12Å; H225-V228 PolarHBondContact O-N 2.94Å; V228-C230 PolarHBondContact O-N 2.99Å; V228-F231 PolarHBondContact O-N 2.83Å; V228-F231 VanDerWaalsContact O-N 3.15Å; V228-M232 HydrophobicContact CG1-CE 3.84Å; V228-M232 HydrophobicContact CG1-SD 4.44Å; V228-M232 PolarHBondContact O-N 3.47Å; V228-V328 HydrophobicContact CG1-CG1 4.02Å; V228-F331 HydrophobicContact CG1-CB 4.03Å; V228-V332 HydrophobicContact CG2-CG2 3.67Å; V228-L335 HydrophobicContact CG2-CD1 3.64Å; V228-F499 HydrophobicContact CB-CE2 4.36Å; V228-F499 HydrophobicContact CB-CZ 4.3Å; V228-F499 HydrophobicContact CG1-CE2 3.9Å; V228-F499 HydrophobicContact CG1-CZ 4.06Å
229	Y	98.8	Very high	98.3	Very high	3 Å²	3	10.8 Å²	10.8	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-56.5	-47.7	173.7	149.8	-91.9	0	0	0	112.2	H225 H226 V227 F231 M232 I233 L291 P292 V294 L297 L304	H225-Y229 WeakPolarHBondContact O-CB 2.93Å; H225-Y229 PolarHBondContact O-N 2.8Å; H226-Y229 AromaticContact ND1-CD1 3.74Å; H226-Y229 WeakPolarHBondContact O-CB 3.05Å; H226-Y229 WeakPolarHBondContact O-CD1 3.33Å; H226-Y229 PolarHBondContact O-N 3.23Å; V227-Y229 PolarHBondContact O-N 2.98Å; Y229-F231 VanDerWaalsContact C-N 3.27Å; Y229-F231 PolarHBondContact O-N 2.93Å; Y229-M232 PolarHBondContact O-N 3.08Å; Y229-I233 HydrophobicContact CD2-CD1 3.93Å; Y229-I233 HydrophobicContact CE1-CD1 4.34Å; Y229-I233 HydrophobicContact CE2-CD1 3.28Å; Y229-I233 HydrophobicContact CE2-CG1 4.46Å; Y229-I233 PolarHBondContact O-N 2.93Å; Y229-L291 HydrophobicContact CD1-CD2 4.32Å; Y229-L291 HydrophobicContact CE1-CD2 3.54Å; Y229-L291 HydrophobicContact CE1-CG 4.15Å; Y229-P292 WeakPolarHBondContact CE1-O 3.38Å; Y229-P292 PolarHBondContact OH-O 2.8Å; Y229-V294 HydrophobicContact CD1-CB 4.5Å; Y229-V294 HydrophobicContact CD2-CB 3.96Å; Y229-V294 HydrophobicContact CD2-CG2 3.96Å; Y229-V294 HydrophobicContact CE1-CB 4.3Å; Y229-V294 HydrophobicContact CE2-CB 3.7Å; Y229-V294 HydrophobicContact CE2-CG2 3.65Å; Y229-V294 HydrophobicContact CG-CB 4.35Å; Y229-L297 HydrophobicContact CE2-CD2 3.79Å; Y229-L297 VanDerWaalsContact OH-CD1 3.3Å; Y229-L297 WeakPolarHBondContact OH-CD1 2.97Å; Y229-L297 WeakPolarHBondContact OH-CD2 3.37Å; Y229-L297 WeakPolarHBondContact OH-CG 3.4Å; Y229-L304 HydrophobicContact CD2-CD2 3.53Å; Y229-L304 HydrophobicContact CE2-CD2 3.56Å
230	C	98.9	Very high	98.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.4	-42.2	176.2	-69.7	0	0	0	0	111.3	L210 C212 H226 V227 V228 I233 A234 L241 L291	L210-C230 HydrophobicContact CD2-CB 4.29Å; C212-C230 HydrophobicContact CB-CB 3.43Å; C212-C230 VanDerWaalsContact CB-CB 3.43Å; C212-C230 WeakPolarHBondContact CB-SG 3.49Å; C212-C230 WeakPolarHBondContact SG-CB 3.49Å; C212-C230 CovalentContact SG-SG 2.04Å; C212-C230 PolarHBondContact SG-SG 3.44Å; H226-C230 VanDerWaalsContact CE1-SG 3.54Å; H226-C230 PolarHBondContact O-N 3.06Å; H226-C230 PolarHBondContact O-SG 3.38Å; H226-C230 VanDerWaalsContact O-SG 3.42Å; V227-C230 WeakPolarHBondContact O-CB 3.37Å; V227-C230 PolarHBondContact O-N 3.36Å; V228-C230 PolarHBondContact O-N 2.99Å; C230-I233 PolarHBondContact O-N 3.11Å; C230-A234 VanDerWaalsContact O-CB 3.32Å; C230-A234 WeakPolarHBondContact O-CB 3.37Å; C230-A234 PolarHBondContact O-N 3.23Å; C230-L241 HydrophobicContact CB-CD1 3.95Å; C230-L291 HydrophobicContact CB-CD2 4.13Å
231	F	98.9	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68	-40.1	-176.9	-149.7	166.1	0	0	0	112.3	I195 Q199 V227 V228 Y229 I233 A234 Y235 L241 F331 Y334 L335	I195-F231 HydrophobicContact CG2-CE1 4.15Å; I195-F231 HydrophobicContact CG2-CE2 3.87Å; I195-F231 HydrophobicContact CG2-CZ 3.37Å; Q199-F231 HydrophobicContact CG-CE2 3.77Å; Q199-F231 HydrophobicContact CG-CZ 3.58Å; V227-F231 WeakPolarHBondContact O-CB 3.49Å; V227-F231 PolarHBondContact O-N 3.39Å; V228-F231 PolarHBondContact O-N 2.83Å; V228-F231 VanDerWaalsContact O-N 3.15Å; Y229-F231 VanDerWaalsContact C-N 3.27Å; Y229-F231 PolarHBondContact O-N 2.93Å; F231-I233 VanDerWaalsContact C-N 3.32Å; F231-I233 PolarHBondContact O-N 3.37Å; F231-A234 PolarHBondContact O-N 3.38Å; F231-Y235 VanDerWaalsContact O-CB 3.31Å; F231-Y235 WeakPolarHBondContact O-CB 3.41Å; F231-Y235 PolarHBondContact O-N 3.17Å; F231-L241 HydrophobicContact CB-CD2 3.87Å; F231-L241 HydrophobicContact CD1-CD2 3.83Å; F231-L241 HydrophobicContact CD2-CB 4.07Å; F231-L241 HydrophobicContact CD2-CD2 3.89Å; F231-L241 HydrophobicContact CE1-CD2 4.29Å; F231-L241 HydrophobicContact CE2-CB 4.2Å; F231-L241 HydrophobicContact CE2-CD2 4.35Å; F231-L241 HydrophobicContact CG-CD2 3.6Å; F231-F331 HydrophobicContact CB-CD1 3.82Å; F231-F331 HydrophobicContact CB-CG 4.48Å; F231-F331 HydrophobicContact CD1-CB 4.36Å; F231-F331 AromaticContact CD1-CD1 3.91Å; F231-F331 HydrophobicContact CD1-CD1 3.91Å; F231-F331 HydrophobicContact CD2-CD1 4.03Å; F231-F331 HydrophobicContact CD2-CE1 4.29Å; F231-F331 AromaticContact CG-CD1 3.63Å; F231-F331 HydrophobicContact CG-CD1 3.63Å; F231-F331 HydrophobicContact CG-CE1 4.31Å; F231-Y334 AromaticContact CE1-CD1 3.52Å; F231-Y334 HydrophobicContact CE1-CD1 3.52Å; F231-Y334 HydrophobicContact CE1-CE1 4.15Å; F231-Y334 HydrophobicContact CE1-CG 4.15Å; F231-Y334 AromaticContact CZ-CD1 3.72Å; F231-Y334 HydrophobicContact CZ-CD1 3.72Å; F231-Y334 AromaticContact CZ-CE1 3.95Å; F231-Y334 HydrophobicContact CZ-CE1 3.95Å; F231-Y334 HydrophobicContact CZ-CG 4.34Å; F231-L335 HydrophobicContact CD1-CD1 4.2Å; F231-L335 HydrophobicContact CD1-CD2 3.8Å; F231-L335 HydrophobicContact CD1-CG 3.9Å; F231-L335 HydrophobicContact CE1-CD2 3.95Å; F231-L335 HydrophobicContact CE1-CG 4.17Å
232	M	98.9	Very high	98.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-41	174.9	-75.4	-177.5	-65.4	0	0	112.1	V228 Y229 Y235 G236 P305 V328 F331 F499	V228-M232 HydrophobicContact CG1-CE 3.84Å; V228-M232 HydrophobicContact CG1-SD 4.44Å; V228-M232 PolarHBondContact O-N 3.47Å; Y229-M232 PolarHBondContact O-N 3.08Å; M232-Y235 PolarHBondContact O-N 3.24Å; M232-G236 PolarHBondContact O-N 3.45Å; M232-P305 VanDerWaalsContact CE-CD 3.48Å; M232-P305 HydrophobicContact CE-CG 3.43Å; M232-P305 VanDerWaalsContact CE-CG 3.43Å; M232-P305 HydrophobicContact SD-CG 3.75Å; M232-V328 HydrophobicContact SD-CG2 4.34Å; M232-F331 HydrophobicContact CG-CD1 4.41Å; M232-F331 HydrophobicContact CG-CD2 3.54Å; M232-F331 HydrophobicContact CG-CE1 4.33Å; M232-F331 HydrophobicContact CG-CE2 3.47Å; M232-F331 VanDerWaalsContact CG-CE2 3.47Å; M232-F331 HydrophobicContact CG-CG 4.03Å; M232-F331 HydrophobicContact CG-CZ 3.88Å; M232-F331 HydrophobicContact SD-CD2 4.34Å; M232-F331 HydrophobicContact SD-CE2 4.41Å; M232-F499 HydrophobicContact CE-CE1 4.21Å; M232-F499 HydrophobicContact CE-CE2 4.42Å; M232-F499 HydrophobicContact CE-CZ 3.92Å
233	I	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-70.8	-41.6	176.1	-67	169.7	0	0	0	111	L210 Y229 C230 F231 Y235 G236 T237 W277 L291 L297 P301 L304	L210-I233 HydrophobicContact CD1-CB 4.44Å; L210-I233 HydrophobicContact CD1-CG2 3.79Å; Y229-I233 HydrophobicContact CD2-CD1 3.93Å; Y229-I233 HydrophobicContact CE1-CD1 4.34Å; Y229-I233 HydrophobicContact CE2-CD1 3.28Å; Y229-I233 HydrophobicContact CE2-CG1 4.46Å; Y229-I233 PolarHBondContact O-N 2.93Å; C230-I233 PolarHBondContact O-N 3.11Å; F231-I233 VanDerWaalsContact C-N 3.32Å; F231-I233 PolarHBondContact O-N 3.37Å; I233-Y235 VanDerWaalsContact C-N 3.26Å; I233-Y235 PolarHBondContact O-N 3.09Å; I233-G236 PolarHBondContact O-N 3.34Å; I233-T237 HydrophobicContact CG2-CG2 4.2Å; I233-T237 WeakPolarHBondContact O-CB 3.34Å; I233-T237 WeakPolarHBondContact O-CG2 3.49Å; I233-T237 PolarHBondContact O-N 3.15Å; I233-T237 PolarHBondContact O-OG1 3.45Å; I233-W277 HydrophobicContact CG2-CH2 4.33Å; I233-W277 HydrophobicContact CG2-CZ3 4.15Å; I233-L291 HydrophobicContact CB-CD2 4.27Å; I233-L291 HydrophobicContact CD1-CD1 4.28Å; I233-L291 HydrophobicContact CD1-CD2 3.8Å; I233-L291 HydrophobicContact CG2-CD1 4.41Å; I233-L291 HydrophobicContact CG2-CD2 4.42Å; I233-L297 HydrophobicContact CD1-CD2 4.12Å; I233-P301 HydrophobicContact CD1-CG 3.72Å; I233-P301 HydrophobicContact CG1-CG 3.82Å; I233-P301 HydrophobicContact CG2-CG 4.22Å; I233-L304 HydrophobicContact CD1-CD2 3.97Å; I233-L304 HydrophobicContact CG1-CD2 4.23Å
234	A	98.9	Very high	98.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.3	-43.3	175	0	0	0	0	0	110.8	L210 C230 F231 T237 Q238 R239 L241	L210-A234 HydrophobicContact CB-CB 4.09Å; L210-A234 HydrophobicContact CD1-CB 4.31Å; L210-A234 HydrophobicContact CD2-CB 4.34Å; L210-A234 HydrophobicContact CG-CB 4.49Å; C230-A234 VanDerWaalsContact O-CB 3.32Å; C230-A234 WeakPolarHBondContact O-CB 3.37Å; C230-A234 PolarHBondContact O-N 3.23Å; F231-A234 PolarHBondContact O-N 3.38Å; A234-T237 PolarHBondContact O-N 3.2Å; A234-T237 PolarHBondContact O-OG1 3.34Å; A234-Q238 PolarHBondContact O-N 3.3Å; A234-Q238 VanDerWaalsContact O-N 3.09Å; A234-R239 CarbonylContact C-O 3.6Å; A234-R239 WeakPolarHBondContact CB-O 3.39Å; A234-R239 PolarHBondContact O-N 3.31Å; A234-L241 HydrophobicContact CB-CB 4.14Å; A234-L241 HydrophobicContact CB-CD1 4.5Å
235	Y	98.9	Very high	98.8	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-64.6	-43.8	174.5	-172.4	-82.5	0	0	0	113.1	R194 I195 L198 F231 M232 I233 T237 W327 F331 Y567 Y570	R194-Y235 HydrophobicContact CB-CE2 4.04Å; R194-Y235 WeakPolarHBondContact CD-OH 3.29Å; I195-Y235 HydrophobicContact CG1-CD2 3.95Å; I195-Y235 HydrophobicContact CG1-CE2 3.9Å; L198-Y235 HydrophobicContact CD2-CD2 3.98Å; L198-Y235 HydrophobicContact CD2-CG 4.37Å; F231-Y235 VanDerWaalsContact O-CB 3.31Å; F231-Y235 WeakPolarHBondContact O-CB 3.41Å; F231-Y235 PolarHBondContact O-N 3.17Å; M232-Y235 PolarHBondContact O-N 3.24Å; I233-Y235 VanDerWaalsContact C-N 3.26Å; I233-Y235 PolarHBondContact O-N 3.09Å; Y235-T237 VanDerWaalsContact C-N 3.32Å; Y235-T237 PolarHBondContact O-N 2.99Å; Y235-W327 HydrophobicContact CD1-CH2 4.1Å; Y235-W327 HydrophobicContact CD1-CZ2 4.07Å; Y235-W327 AromaticContact CE1-CH2 3.71Å; Y235-W327 HydrophobicContact CE1-CH2 3.71Å; Y235-W327 HydrophobicContact CE1-CZ2 4.06Å; Y235-W327 AromaticContact CZ-CH2 3.99Å; Y235-F331 HydrophobicContact CD1-CZ 4.44Å; Y235-F331 HydrophobicContact CD2-CE1 4.17Å; Y235-F331 HydrophobicContact CD2-CZ 4.37Å; Y235-F331 HydrophobicContact CG-CE1 4.06Å; Y235-F331 HydrophobicContact CG-CZ 4.05Å; Y235-Y567 AromaticContact CD1-CD1 3.66Å; Y235-Y567 HydrophobicContact CD1-CD1 3.66Å; Y235-Y567 HydrophobicContact CD1-CE1 4.16Å; Y235-Y567 HydrophobicContact CE1-CD1 4.06Å; Y235-Y570 HydrophobicContact CD1-CE2 4.05Å; Y235-Y570 AromaticContact CD2-CE2 3.89Å; Y235-Y570 HydrophobicContact CD2-CE2 3.89Å; Y235-Y570 HydrophobicContact CE1-CD2 4.25Å; Y235-Y570 AromaticContact CE1-CE2 3.7Å; Y235-Y570 HydrophobicContact CE1-CE2 3.7Å; Y235-Y570 AromaticContact CE2-CD2 3.88Å; Y235-Y570 HydrophobicContact CE2-CD2 3.88Å; Y235-Y570 AromaticContact CE2-CE2 3.55Å; Y235-Y570 HydrophobicContact CE2-CE2 3.55Å; Y235-Y570 HydrophobicContact CG-CE2 4.14Å; Y235-Y570 AromaticContact CZ-CD2 3.66Å; Y235-Y570 AromaticContact CZ-CE2 3.44Å; Y235-Y570 VanDerWaalsContact CZ-CE2 3.44Å; Y235-Y570 PolarHBondContact O-OH 3.07Å
236	G	98.7	Very high	98.5	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-36	176.3	0	0	0	0	0	113.7	M232 I233 P568	M232-G236 PolarHBondContact O-N 3.45Å; I233-G236 PolarHBondContact O-N 3.34Å; G236-P568 WeakPolarHBondContact O-CD 3.49Å; G236-P568 WeakPolarHBondContact O-CG 3.49Å
237	T	98.8	Very high	98.3	Very high	13 Å²	13	25 Å²	25	8%	0.08	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.3	-174.8	58.6	0	0	0	0	114.3	I233 A234 Y235 R239 W277 E280 Y303	I233-T237 HydrophobicContact CG2-CG2 4.2Å; I233-T237 WeakPolarHBondContact O-CB 3.34Å; I233-T237 WeakPolarHBondContact O-CG2 3.49Å; I233-T237 PolarHBondContact O-N 3.15Å; I233-T237 PolarHBondContact O-OG1 3.45Å; A234-T237 PolarHBondContact O-N 3.2Å; A234-T237 PolarHBondContact O-OG1 3.34Å; Y235-T237 VanDerWaalsContact C-N 3.32Å; Y235-T237 PolarHBondContact O-N 2.99Å; T237-R239 VanDerWaalsContact C-N 3.32Å; T237-R239 PolarHBondContact O-N 3.41Å; T237-W277 HydrophobicContact CG2-CH2 4.36Å; T237-W277 HydrophobicContact CG2-CZ3 4.32Å; T237-E280 HydrophobicContact CG2-CG 4.15Å; T237-Y303 HydrophobicContact CG2-CD2 4.17Å; T237-Y303 HydrophobicContact CG2-CE2 3.97Å
238	Q	98.8	Very high	98.3	Very high	116 Å²	116	25 Å²	25	54%	0.542	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	44	-177.9	-50.6	-177.6	-67.1	0	0	113.2	A234 P568 Y570	A234-Q238 PolarHBondContact O-N 3.3Å; A234-Q238 VanDerWaalsContact O-N 3.09Å; Q238-P568 HydrophobicContact CG-CB 3.81Å; Q238-P568 HydrophobicContact CG-CG 3.49Å; Q238-P568 VanDerWaalsContact CG-CG 3.49Å; Q238-Y570 WeakPolarHBondContact CA-OH 3.25Å; Q238-Y570 HydrophobicContact CB-CE1 4.44Å; Q238-Y570 HydrophobicContact CG-CE1 4.17Å
239	R	98.9	Very high	98.1	Very high	9 Å²	9	29 Å²	29	3%	0.034	14%	0.139	C	C	.	.			trans	-115.7	133	177.7	-64.2	-178.2	174.4	-84.6	-2.4	109.9	K208 K209 L210 A234 T237 L241 D283 V286 Q287 V289	K208-R239 HydrophobicContact CB-CG 4.04Å; K208-R239 CarbonylContact O-C 3.43Å; K208-R239 WeakPolarHBondContact O-CA 3.46Å; K209-R239 PolarHBondContact O-NH1 3.47Å; L210-R239 HydrophobicContact CB-CB 3.82Å; A234-R239 CarbonylContact C-O 3.6Å; A234-R239 WeakPolarHBondContact CB-O 3.39Å; A234-R239 PolarHBondContact O-N 3.31Å; T237-R239 VanDerWaalsContact C-N 3.32Å; T237-R239 PolarHBondContact O-N 3.41Å; R239-L241 PolarHBondContact O-N 3.33Å; R239-D283 PolarHBondContact NH2-O 3.22Å; R239-V286 PolarHBondContact NH1-O 3.15Å; R239-V286 PolarHBondContact NH2-O 3.01Å; R239-Q287 PolarHBondContact NH1-O 3.2Å; R239-V289 VanDerWaalsContact CZ-CG2 3.5Å
240	T	98.9	Very high	97.9	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.3	170.4	-58.2	0	0	0	0	108.8	L198 K208 K209 L210 I242 C266	L198-T240 PolarHBondContact O-OG1 2.89Å; K208-T240 PolarHBondContact O-N 2.73Å; K209-T240 CarbonylContact C-O 3.59Å; K209-T240 VanDerWaalsContact CA-O 3.32Å; K209-T240 WeakPolarHBondContact CA-O 3.46Å; L210-T240 PolarHBondContact N-O 2.63Å; T240-I242 HydrophobicContact CG2-CD1 4.28Å; T240-I242 PolarHBondContact O-N 3.37Å; T240-C266 HydrophobicContact CG2-CB 4.23Å
241	L	98.9	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.7	175.4	177.3	69.4	0	0	0	109.6	Q199 L210 C212 V227 C230 F231 A234 R239	Q199-L241 PolarHBondContact NE2-O 3.25Å; L210-L241 HydrophobicContact CD2-CD1 4.08Å; C212-L241 HydrophobicContact CB-CD1 3.74Å; V227-L241 HydrophobicContact CG1-CD2 4.37Å; C230-L241 HydrophobicContact CB-CD1 3.95Å; F231-L241 HydrophobicContact CB-CD2 3.87Å; F231-L241 HydrophobicContact CD1-CD2 3.83Å; F231-L241 HydrophobicContact CD2-CB 4.07Å; F231-L241 HydrophobicContact CD2-CD2 3.89Å; F231-L241 HydrophobicContact CE1-CD2 4.29Å; F231-L241 HydrophobicContact CE2-CB 4.2Å; F231-L241 HydrophobicContact CE2-CD2 4.35Å; F231-L241 HydrophobicContact CG-CD2 3.6Å; A234-L241 HydrophobicContact CB-CB 4.14Å; A234-L241 HydrophobicContact CB-CD1 4.5Å; R239-L241 PolarHBondContact O-N 3.33Å
242	I	98.9	Very high	97.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.1	169.8	-53.5	-59.7	0	0	0	107.6	K209 L210 V211 C212 T240 C266 R269	K209-I242 HydrophobicContact CB-CG1 3.91Å; K209-I242 HydrophobicContact CD-CD1 4.28Å; K209-I242 HydrophobicContact CD-CG1 4.06Å; K209-I242 HydrophobicContact CG-CD1 4.46Å; K209-I242 HydrophobicContact CG-CG1 4.14Å; L210-I242 PolarHBondContact O-N 2.97Å; V211-I242 WeakPolarHBondContact CA-O 3.19Å; V211-I242 HydrophobicContact CG2-CB 4.32Å; C212-I242 PolarHBondContact N-O 3.06Å; T240-I242 HydrophobicContact CG2-CD1 4.28Å; T240-I242 PolarHBondContact O-N 3.37Å; I242-C266 VanDerWaalsContact CD1-O 3.23Å; I242-C266 WeakPolarHBondContact CD1-O 3.37Å; I242-R269 HydrophobicContact CG2-CB 4.22Å
243	L	98.8	Very high	97.4	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113	-178	-178.6	61	0	0	0	110.2	I214 V227 W255 V262	I214-L243 HydrophobicContact CB-CD1 4.23Å; V227-L243 HydrophobicContact CG1-CD1 4.03Å; V227-L243 HydrophobicContact CG1-CD2 4.3Å; V227-L243 HydrophobicContact CG2-CD1 3.8Å; L243-W255 HydrophobicContact CD2-CB 3.96Å; L243-W255 HydrophobicContact CD2-CD2 3.65Å; L243-W255 HydrophobicContact CD2-CE3 4.05Å; L243-W255 HydrophobicContact CD2-CG 3.62Å; L243-V262 HydrophobicContact CB-CG1 4.22Å; L243-V262 HydrophobicContact CB-CG2 3.99Å; L243-V262 HydrophobicContact CD2-CG1 3.99Å
244	E	98.3	Very high	97.3	Very high	57 Å²	57	37.3 Å²	37.3	27%	0.266	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.9	170.2	-69.5	-171.3	152.6	0	0	109.9	V211 C212 I214 R269	V211-E244 HydrophobicContact CG1-CG 3.87Å; C212-E244 PolarHBondContact O-N 3.4Å; I214-E244 PolarHBondContact N-O 3.01Å; E244-R269 WeakPolarHBondContact OE1-CD 3.44Å; E244-R269 IonicContact OE1-CZ 3.96Å; E244-R269 IonicContact OE1-NE 3.33Å; E244-R269 IonicContact OE1-NH1 3.37Å; E244-R269 PolarHBondContact OE1-NH1 3.36Å; E244-R269 IonicContact OE2-NH1 2.78Å
245	S	97.6	Very high	97.2	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	20%	0.201	C	C	.	.			trans	-122.3	0.9	-172.8	68.6	0	0	0	0	114.2	W248 G254 W255 E256	S245-W248 VanDerWaalsContact O-CB 3.23Å; S245-W248 WeakPolarHBondContact O-CB 3.5Å; S245-W248 PolarHBondContact O-N 3.33Å; S245-G254 VanDerWaalsContact O-CA 3.23Å; S245-G254 WeakPolarHBondContact O-CA 3.41Å; S245-G254 WeakPolarHBondContact OG-CA 3.38Å; S245-W255 PolarHBondContact OG-N 3.03Å; S245-E256 PolarHBondContact OG-OE2 2.91Å
246	Q	94.1	Very high	97.2	Very high	156 Å²	156	40.7 Å²	40.7	73%	0.729	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	145.9	177.3	-70.2	-172.4	-10.3	0	0	111.7	N215 W248	N215-Q246 PolarHBondContact ND2-O 3.08Å; Q246-W248 PolarHBondContact O-N 2.9Å
247	N	94.7	Very high	97.1	Very high	129 Å²	129	42.2 Å²	42.2	69%	0.69	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	29.9	-177.1	-55	-49.9	0	0	0	113.2	N215 R249 T252	N215-N247 PolarHBondContact OD1-O 3.36Å; N247-R249 PolarHBondContact O-N 2.79Å; N247-T252 PolarHBondContact N-O 3.23Å
248	W	97.7	Very high	97.1	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-63.4	126.6	176.1	-177.7	39.3	0	0	0	110.9	I214 N215 Y220 S245 Q246 Y250 A251 T252 W255 V258 L447	I214-W248 HydrophobicContact CD1-CD2 4.03Å; I214-W248 HydrophobicContact CD1-CE3 4.48Å; I214-W248 HydrophobicContact CD1-CG 4.44Å; I214-W248 HydrophobicContact CD1-CH2 4.32Å; I214-W248 HydrophobicContact CD1-CZ2 3.85Å; I214-W248 HydrophobicContact CG2-CB 4.04Å; I214-W248 HydrophobicContact CG2-CG 3.89Å; N215-W248 VanDerWaalsContact OD1-CA 3.29Å; N215-W248 WeakPolarHBondContact OD1-CA 3.37Å; Y220-W248 HydrophobicContact CD2-CH2 4.26Å; Y220-W248 AromaticContact CD2-CZ2 3.99Å; Y220-W248 HydrophobicContact CD2-CZ2 3.99Å; Y220-W248 HydrophobicContact CE2-CH2 4.2Å; Y220-W248 HydrophobicContact CE2-CZ2 4.31Å; S245-W248 VanDerWaalsContact O-CB 3.23Å; S245-W248 WeakPolarHBondContact O-CB 3.5Å; S245-W248 PolarHBondContact O-N 3.33Å; Q246-W248 PolarHBondContact O-N 2.9Å; W248-Y250 AromaticContact CE2-CD2 3.94Å; W248-Y250 HydrophobicContact CZ2-CD2 4.08Å; W248-Y250 HydrophobicContact CZ2-CG 4.36Å; W248-Y250 AromaticContact NE1-CD2 3.69Å; W248-Y250 PolarHBondContact O-N 3.07Å; W248-A251 WeakPolarHBondContact CB-O 3.3Å; W248-A251 HydrophobicContact CE3-CB 3.98Å; W248-A251 HydrophobicContact CZ3-CB 4.39Å; W248-A251 CarbonylContact O-C 3.52Å; W248-A251 PolarHBondContact O-N 3.16Å; W248-A251 VanDerWaalsContact O-O 3.13Å; W248-T252 PolarHBondContact O-N 3.28Å; W248-W255 HydrophobicContact CH2-CE3 4.45Å; W248-V258 HydrophobicContact CZ3-CG2 4.18Å; W248-L447 HydrophobicContact CE3-CD2 4.38Å; W248-L447 HydrophobicContact CH2-CD1 3.71Å; W248-L447 HydrophobicContact CH2-CD2 3.72Å; W248-L447 HydrophobicContact CH2-CG 4.38Å; W248-L447 HydrophobicContact CZ2-CD1 4.16Å; W248-L447 HydrophobicContact CZ3-CD1 4.44Å; W248-L447 HydrophobicContact CZ3-CD2 3.58Å
249	R	94.8	Very high	97.1	Very high	84 Å²	84	36.3 Å²	36.3	32%	0.317	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.5	-174.8	68.6	-177	62.3	-170.8	-10.2	114.3	K216 C218 Q223 N247 Y442	K216-R249 PolarHBondContact O-NH2 3.39Å; C218-R249 VanDerWaalsContact N-NH1 3.19Å; C218-R249 PolarHBondContact O-NH1 2.97Å; Q223-R249 VanDerWaalsContact NE2-NE 3.14Å; N247-R249 PolarHBondContact O-N 2.79Å; R249-Y442 HydrophobicContact CB-CD1 4.43Å; R249-Y442 HydrophobicContact CG-CD1 3.86Å; R249-Y442 HydrophobicContact CG-CE1 4.36Å; R249-Y442 CarbonylContact O-C 3.52Å; R249-Y442 WeakPolarHBondContact O-CB 3.21Å
250	Y	95.4	Very high	97.1	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.047	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-30.5	178.9	-78.4	-79.9	0	0	0	112.9	G219 Y220 W248 R441 Y442 T443 E444 L447	G219-Y250 VanDerWaalsContact CA-OH 3.31Å; G219-Y250 WeakPolarHBondContact CA-OH 3.26Å; Y220-Y250 VanDerWaalsContact N-CE2 3.33Å; Y220-Y250 PolarHBondContact N-OH 3.12Å; W248-Y250 AromaticContact CE2-CD2 3.94Å; W248-Y250 HydrophobicContact CZ2-CD2 4.08Å; W248-Y250 HydrophobicContact CZ2-CG 4.36Å; W248-Y250 AromaticContact NE1-CD2 3.69Å; W248-Y250 PolarHBondContact O-N 3.07Å; Y250-R441 WeakPolarHBondContact CE1-O 3.34Å; Y250-Y442 HydrophobicContact CD1-CD1 4.41Å; Y250-Y442 HydrophobicContact CD2-CD1 4.42Å; Y250-Y442 AromaticContact CE1-CD1 3.95Å; Y250-Y442 HydrophobicContact CE1-CD1 3.95Å; Y250-Y442 HydrophobicContact CE1-CE1 4.38Å; Y250-Y442 AromaticContact CE2-CD1 3.93Å; Y250-Y442 HydrophobicContact CE2-CD1 3.93Å; Y250-Y442 AromaticContact CE2-CE1 4Å; Y250-Y442 HydrophobicContact CE2-CE1 4Å; Y250-Y442 AromaticContact CZ-CD1 3.67Å; Y250-Y442 AromaticContact CZ-CE1 3.72Å; Y250-T443 CarbonylContact O-C 3.59Å; Y250-E444 VanDerWaalsContact O-CA 3.27Å; Y250-E444 WeakPolarHBondContact O-CA 3.42Å; Y250-E444 WeakPolarHBondContact O-CG 3.03Å; Y250-E444 PolarHBondContact O-N 3.02Å; Y250-L447 HydrophobicContact CD1-CB 4.06Å; Y250-L447 HydrophobicContact CD1-CD1 4.2Å; Y250-L447 HydrophobicContact CG-CB 4.45Å; Y250-L447 HydrophobicContact CG-CD1 4.14Å
251	A	96.3	Very high	97.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-153.1	107.1	179.1	0	0	0	0	0	108.6	W248 G253 G254 T257 E444 L447	W248-A251 WeakPolarHBondContact CB-O 3.3Å; W248-A251 HydrophobicContact CE3-CB 3.98Å; W248-A251 HydrophobicContact CZ3-CB 4.39Å; W248-A251 CarbonylContact O-C 3.52Å; W248-A251 PolarHBondContact O-N 3.16Å; W248-A251 VanDerWaalsContact O-O 3.13Å; A251-G253 PolarHBondContact O-N 3.37Å; A251-G253 VanDerWaalsContact O-N 3.15Å; A251-G254 PolarHBondContact O-N 3Å; A251-T257 HydrophobicContact CB-CG2 4.09Å; A251-E444 HydrophobicContact CB-CG 3.74Å; A251-L447 HydrophobicContact CB-CD2 4Å
252	T	94.6	Very high	97.1	Very high	108 Å²	108	42.4 Å²	42.4	66%	0.663	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25	-173	52.6	0	0	0	0	112.7	N247 W248 G254	N247-T252 PolarHBondContact N-O 3.23Å; W248-T252 PolarHBondContact O-N 3.28Å; T252-G254 PolarHBondContact O-N 3.3Å
253	G	93.8	Very high	97	Very high	57 Å²	57	42.2 Å²	42.2	59%	0.588	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.6	171.1	0	0	0	0	0	115	A251	A251-G253 PolarHBondContact O-N 3.37Å; A251-G253 VanDerWaalsContact O-N 3.15Å
254	G	96.8	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.			trans	100.5	-163.9	173.7	0	0	0	0	0	115	S245 A251 T252 E256 T257	S245-G254 VanDerWaalsContact O-CA 3.23Å; S245-G254 WeakPolarHBondContact O-CA 3.41Å; S245-G254 WeakPolarHBondContact OG-CA 3.38Å; A251-G254 PolarHBondContact O-N 3Å; T252-G254 PolarHBondContact O-N 3.3Å; G254-E256 VanDerWaalsContact C-N 3.32Å; G254-E256 PolarHBondContact O-N 3.46Å; G254-T257 WeakPolarHBondContact O-CB 3.47Å; G254-T257 PolarHBondContact O-N 3.45Å; G254-T257 PolarHBondContact O-OG1 2.93Å
255	W	98.3	Very high	97	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.8	-41.1	-174.3	175.4	-99.3	0	0	0	111.8	I214 L224 L243 S245 W248 T257 V258 F259 R260 L335	I214-W255 HydrophobicContact CD1-CE3 3.62Å; I214-W255 HydrophobicContact CD1-CZ3 4.01Å; L224-W255 HydrophobicContact CD1-CH2 3.9Å; L224-W255 HydrophobicContact CD1-CZ3 4.38Å; L243-W255 HydrophobicContact CD2-CB 3.96Å; L243-W255 HydrophobicContact CD2-CD2 3.65Å; L243-W255 HydrophobicContact CD2-CE3 4.05Å; L243-W255 HydrophobicContact CD2-CG 3.62Å; S245-W255 PolarHBondContact OG-N 3.03Å; W248-W255 HydrophobicContact CH2-CE3 4.45Å; W255-T257 PolarHBondContact O-N 2.91Å; W255-T257 VanDerWaalsContact O-N 3.09Å; W255-V258 PolarHBondContact O-N 3.04Å; W255-V258 VanDerWaalsContact O-N 3.11Å; W255-F259 HydrophobicContact CD2-CB 4.2Å; W255-F259 AromaticContact CD2-CD2 3.95Å; W255-F259 HydrophobicContact CD2-CD2 3.95Å; W255-F259 VanDerWaalsContact CE2-CB 3.5Å; W255-F259 AromaticContact CE2-CD2 3.67Å; W255-F259 AromaticContact CE2-CG 3.98Å; W255-F259 AromaticContact CE3-CD2 3.9Å; W255-F259 HydrophobicContact CE3-CD2 3.9Å; W255-F259 AromaticContact CH2-CD2 3.35Å; W255-F259 HydrophobicContact CH2-CD2 3.35Å; W255-F259 AromaticContact CH2-CE2 3.77Å; W255-F259 HydrophobicContact CH2-CE2 3.77Å; W255-F259 HydrophobicContact CH2-CG 4.18Å; W255-F259 HydrophobicContact CZ2-CB 3.73Å; W255-F259 AromaticContact CZ2-CD2 3.39Å; W255-F259 HydrophobicContact CZ2-CD2 3.39Å; W255-F259 HydrophobicContact CZ2-CE2 4.23Å; W255-F259 AromaticContact CZ2-CG 3.78Å; W255-F259 HydrophobicContact CZ2-CG 3.78Å; W255-F259 AromaticContact CZ3-CD2 3.62Å; W255-F259 HydrophobicContact CZ3-CD2 3.62Å; W255-F259 AromaticContact CZ3-CE2 3.96Å; W255-F259 HydrophobicContact CZ3-CE2 3.96Å; W255-F259 PolarHBondContact O-N 3.13Å; W255-F259 VanDerWaalsContact O-N 3.09Å; W255-R260 PolarHBondContact NE1-O 2.91Å; W255-R260 VanDerWaalsContact NE1-O 3.09Å; W255-L335 HydrophobicContact CH2-CB 4.1Å; W255-L335 HydrophobicContact CZ2-CB 3.89Å; W255-L335 HydrophobicContact CZ2-CD2 4.27Å; W255-L335 VanDerWaalsContact CZ2-O 3.3Å; W255-L335 WeakPolarHBondContact CZ2-O 3.39Å
256	E	97.9	Very high	97.1	Very high	71 Å²	71	47.1 Å²	47.1	33%	0.332	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-66.6	-11.4	-176.3	-67.2	80.2	178.9	0	0	113.3	S245 G254 V258 F259 P261 Q339	S245-E256 PolarHBondContact OG-OE2 2.91Å; G254-E256 VanDerWaalsContact C-N 3.32Å; G254-E256 PolarHBondContact O-N 3.46Å; E256-V258 VanDerWaalsContact C-N 3.27Å; E256-V258 PolarHBondContact O-N 3.01Å; E256-F259 VanDerWaalsContact CA-O 3.31Å; E256-F259 WeakPolarHBondContact CA-O 3.47Å; E256-P261 HydrophobicContact CG-CB 4.25Å; E256-Q339 PolarHBondContact O-NE2 2.82Å
257	T	97.8	Very high	97.2	Very high	34 Å²	34	43.9 Å²	43.9	21%	0.209	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.4	-47.6	168.3	-60.2	0	0	0	0	109.9	A251 G254 W255 W341	A251-T257 HydrophobicContact CB-CG2 4.09Å; G254-T257 WeakPolarHBondContact O-CB 3.47Å; G254-T257 PolarHBondContact O-N 3.45Å; G254-T257 PolarHBondContact O-OG1 2.93Å; W255-T257 PolarHBondContact O-N 2.91Å; W255-T257 VanDerWaalsContact O-N 3.09Å; T257-W341 WeakPolarHBondContact O-CZ2 3.28Å; T257-W341 PolarHBondContact O-NE1 3.08Å
258	V	98.2	Very high	97.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-33.3	-172.3	-72.5	0	0	0	0	114.5	W248 W255 E256 Q339 W341 L342 L447 I451	W248-V258 HydrophobicContact CZ3-CG2 4.18Å; W255-V258 PolarHBondContact O-N 3.04Å; W255-V258 VanDerWaalsContact O-N 3.11Å; E256-V258 VanDerWaalsContact C-N 3.27Å; E256-V258 PolarHBondContact O-N 3.01Å; V258-Q339 PolarHBondContact O-N 3.47Å; V258-W341 HydrophobicContact CB-CZ2 4.4Å; V258-W341 HydrophobicContact CG1-CH2 3.99Å; V258-W341 HydrophobicContact CG1-CZ2 3.82Å; V258-L342 HydrophobicContact CB-CD2 4.15Å; V258-L342 VanDerWaalsContact O-CD2 3.22Å; V258-L342 WeakPolarHBondContact O-CD2 3.29Å; V258-L447 HydrophobicContact CG1-CD2 3.82Å; V258-L447 HydrophobicContact CG1-CG 4.36Å; V258-L447 HydrophobicContact CG2-CD2 3.99Å; V258-I451 HydrophobicContact CB-CD1 4.06Å; V258-I451 HydrophobicContact CG1-CD1 4.07Å; V258-I451 HydrophobicContact CG2-CD1 4.09Å
259	F	98.8	Very high	97.2	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-119	158.6	-173.7	-62.8	-56.3	0	0	0	111.9	Y220 W255 E256 I336 R337 Q339 L342 I451	Y220-F259 HydrophobicContact CE2-CE2 4.38Å; Y220-F259 WeakPolarHBondContact OH-CZ 3.42Å; W255-F259 HydrophobicContact CD2-CB 4.2Å; W255-F259 AromaticContact CD2-CD2 3.95Å; W255-F259 HydrophobicContact CD2-CD2 3.95Å; W255-F259 VanDerWaalsContact CE2-CB 3.5Å; W255-F259 AromaticContact CE2-CD2 3.67Å; W255-F259 AromaticContact CE2-CG 3.98Å; W255-F259 AromaticContact CE3-CD2 3.9Å; W255-F259 HydrophobicContact CE3-CD2 3.9Å; W255-F259 AromaticContact CH2-CD2 3.35Å; W255-F259 HydrophobicContact CH2-CD2 3.35Å; W255-F259 AromaticContact CH2-CE2 3.77Å; W255-F259 HydrophobicContact CH2-CE2 3.77Å; W255-F259 HydrophobicContact CH2-CG 4.18Å; W255-F259 HydrophobicContact CZ2-CB 3.73Å; W255-F259 AromaticContact CZ2-CD2 3.39Å; W255-F259 HydrophobicContact CZ2-CD2 3.39Å; W255-F259 HydrophobicContact CZ2-CE2 4.23Å; W255-F259 AromaticContact CZ2-CG 3.78Å; W255-F259 HydrophobicContact CZ2-CG 3.78Å; W255-F259 AromaticContact CZ3-CD2 3.62Å; W255-F259 HydrophobicContact CZ3-CD2 3.62Å; W255-F259 AromaticContact CZ3-CE2 3.96Å; W255-F259 HydrophobicContact CZ3-CE2 3.96Å; W255-F259 PolarHBondContact O-N 3.13Å; W255-F259 VanDerWaalsContact O-N 3.09Å; E256-F259 VanDerWaalsContact CA-O 3.31Å; E256-F259 WeakPolarHBondContact CA-O 3.47Å; F259-I336 HydrophobicContact CD1-CB 4.31Å; F259-I336 HydrophobicContact CE1-CB 3.84Å; F259-I336 HydrophobicContact CE1-CG2 4.29Å; F259-I336 HydrophobicContact CZ-CB 4.23Å; F259-I336 HydrophobicContact CZ-CG2 4.17Å; F259-R337 CarbonylContact C-O 3.57Å; F259-R337 WeakPolarHBondContact CA-O 3.16Å; F259-Q339 PolarHBondContact O-NE2 2.79Å; F259-L342 HydrophobicContact CD1-CD2 4.31Å; F259-L342 HydrophobicContact CE1-CD2 4.04Å; F259-I451 HydrophobicContact CE1-CD1 4.46Å; F259-I451 HydrophobicContact CE2-CD1 4.09Å; F259-I451 HydrophobicContact CZ-CD1 3.7Å; F259-I451 HydrophobicContact CZ-CG1 4.09Å; F259-I451 HydrophobicContact CZ-CG2 4.47Å
260	R	98.7	Very high	97.3	Very high	112 Å²	112	44.3 Å²	44.3	42%	0.423	25%	0.247	S	C	.	.			trans	-63.6	151	173.5	-60.3	-170.6	84.3	179.9	3.2	109.9	W255 R337 P338	W255-R260 PolarHBondContact NE1-O 2.91Å; W255-R260 VanDerWaalsContact NE1-O 3.09Å; R260-R337 HydrophobicContact CB-CB 4.23Å; R260-R337 HydrophobicContact CG-CB 4.17Å; R260-R337 PolarHBondContact N-O 3.48Å; R260-P338 WeakPolarHBondContact CG-O 3.39Å
261	P	98.4	Very high	97.4	Very high	28 Å²	28	45.3 Å²	45.3	18%	0.182	26%	0.261	C	S	.	.			trans	-57.7	149.1	173.8	27.2	-35.8	0	0	0	110.4	E256 S263 T267 R337	E256-P261 HydrophobicContact CG-CB 4.25Å; P261-S263 PolarHBondContact O-N 3.38Å; P261-T267 HydrophobicContact CB-CG2 4.39Å; P261-R337 PolarHBondContact O-NH2 2.95Å
262	V	98.3	Very high	97.4	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	30%	0.3	C	S	.	.	S	Bend	trans	-69.3	-11.7	-179.3	-62.3	0	0	0	0	112.8	Q199 L243 Y334 L335	Q199-V262 WeakPolarHBondContact CB-O 3.41Å; Q199-V262 WeakPolarHBondContact CG-O 3.41Å; Q199-V262 PolarHBondContact NE2-O 3.37Å; L243-V262 HydrophobicContact CB-CG1 4.22Å; L243-V262 HydrophobicContact CB-CG2 3.99Å; L243-V262 HydrophobicContact CD2-CG1 3.99Å; V262-Y334 WeakPolarHBondContact O-CE1 3.49Å; V262-Y334 PolarHBondContact O-OH 2.69Å; V262-L335 HydrophobicContact CG1-CD2 3.8Å
263	S	98.7	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.			trans	-149	143.6	175.3	177.6	0	0	0	0	109.3	Q199 P261 T265 C266 T267	Q199-S263 WeakPolarHBondContact O-CB 3.03Å; Q199-S263 PolarHBondContact O-OG 2.83Å; P261-S263 PolarHBondContact O-N 3.38Å; S263-T265 PolarHBondContact OG-N 3.12Å; S263-C266 WeakPolarHBondContact CB-O 3.48Å; S263-C266 PolarHBondContact OG-N 2.87Å; S263-C266 PolarHBondContact OG-O 3.05Å; S263-T267 VanDerWaalsContact O-CG2 3.29Å; S263-T267 WeakPolarHBondContact O-CG2 3.5Å
264	E	98.1	Very high	97.8	Very high	110 Å²	110	50.3 Å²	50.3	51%	0.514	27%	0.274	S	S	.	.	S	Bend	trans	-90	-25.8	172.8	-56.9	-64.3	152.7	0	0	111.6	N200	N200-E264 WeakPolarHBondContact OD1-CB 3.21Å; N200-E264 PolarHBondContact OD1-N 3.09Å
265	T	98.5	Very high	97.9	Very high	75 Å²	75	51.4 Å²	51.4	46%	0.46	29%	0.285	S	S	.	.	S	Bend	trans	-110.6	-14.9	-173.9	72	0	0	0	0	114.4	N200 P201 S263	N200-T265 VanDerWaalsContact C-OG1 3.23Å; N200-T265 WeakPolarHBondContact CA-OG1 3.37Å; N200-T265 HydrophobicContact CB-CG2 4.14Å; N200-T265 PolarHBondContact OD1-N 3.37Å; P201-T265 PolarHBondContact O-OG1 2.61Å; S263-T265 PolarHBondContact OG-N 3.12Å
266	C	98.4	Very high	97.9	Very high	1 Å²	1	58 Å²	58	1%	0.007	32%	0.316	C	S	.	.			trans	-149	88.7	-173.7	-164.9	0	0	0	0	113.3	P201 C204 T240 I242 S263	P201-C266 HydrophobicContact CG-CB 3.63Å; C204-C266 WeakPolarHBondContact CA-SG 3.31Å; C204-C266 HydrophobicContact CB-CB 3.5Å; C204-C266 VanDerWaalsContact CB-CB 3.5Å; C204-C266 WeakPolarHBondContact CB-SG 3.28Å; C204-C266 WeakPolarHBondContact SG-CA 3.41Å; C204-C266 WeakPolarHBondContact SG-CB 3.45Å; C204-C266 CovalentContact SG-SG 2.04Å; C204-C266 PolarHBondContact SG-SG 2.81Å; T240-C266 HydrophobicContact CG2-CB 4.23Å; I242-C266 VanDerWaalsContact CD1-O 3.23Å; I242-C266 WeakPolarHBondContact CD1-O 3.37Å; S263-C266 WeakPolarHBondContact CB-O 3.48Å; S263-C266 PolarHBondContact OG-N 2.87Å; S263-C266 PolarHBondContact OG-O 3.05Å
267	T	97.6	Very high	97.9	Very high	89 Å²	89	55.7 Å²	55.7	55%	0.546	30%	0.304	S	S	.	.			trans	-110.4	-7.9	176.5	53.4	0	0	0	0	113.2	P261 S263	P261-T267 HydrophobicContact CB-CG2 4.39Å; S263-T267 VanDerWaalsContact O-CG2 3.29Å; S263-T267 WeakPolarHBondContact O-CG2 3.5Å
268	D	95.8	Very high	97.9	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	31%	0.309	S	S	.	.			trans	-89.5	142.8	-178.2	169.2	-99.5	0	0	0	112.4	K209 S270	K209-D268 WeakPolarHBondContact CD-O 3.46Å; K209-D268 WeakPolarHBondContact CE-O 3.15Å; K209-D268 PolarHBondContact NZ-O 3.21Å; K209-D268 IonicContact NZ-OD1 2.77Å; D268-S270 WeakPolarHBondContact OD1-CA 3.47Å; D268-S270 WeakPolarHBondContact OD1-CB 3.29Å; D268-S270 PolarHBondContact OD1-N 3.43Å; D268-S270 PolarHBondContact OD1-OG 3.36Å
269	R	96.8	Very high	97.8	Very high	85 Å²	85	56.5 Å²	56.5	32%	0.321	31%	0.312	S	S	.	.			trans	-92.2	7.5	-177.7	64.8	172.2	-78.7	166.6	-0.3	115	V211 I242 E244 E290	V211-R269 HydrophobicContact CG2-CB 4.23Å; I242-R269 HydrophobicContact CG2-CB 4.22Å; E244-R269 WeakPolarHBondContact OE1-CD 3.44Å; E244-R269 IonicContact OE1-CZ 3.96Å; E244-R269 IonicContact OE1-NE 3.33Å; E244-R269 IonicContact OE1-NH1 3.37Å; E244-R269 PolarHBondContact OE1-NH1 3.36Å; E244-R269 IonicContact OE2-NH1 2.78Å; R269-E290 IonicContact CZ-OE1 3.66Å; R269-E290 IonicContact NH1-OE1 3.73Å; R269-E290 IonicContact NH2-OE1 2.69Å; R269-E290 PolarHBondContact NH2-OE1 2.96Å
270	S	96.8	Very high	97.8	Very high	59 Å²	59	60 Å²	60	41%	0.413	33%	0.329	S	S	.	.			trans	-63.8	151.8	178.9	68.8	0	0	0	0	112.3	K209 D268	K209-S270 WeakPolarHBondContact CE-O 3.43Å; K209-S270 PolarHBondContact NZ-O 3.27Å; D268-S270 WeakPolarHBondContact OD1-CA 3.47Å; D268-S270 WeakPolarHBondContact OD1-CB 3.29Å; D268-S270 PolarHBondContact OD1-N 3.43Å; D268-S270 PolarHBondContact OD1-OG 3.36Å
271	G	96.4	Very high	97.7	Very high	33 Å²	33	61 Å²	61	34%	0.34	35%	0.347	S	S	.	.			trans	-178	164.5	173.9	0	0	0	0	0	110.7	S273	G271-S273 PolarHBondContact O-N 3.43Å
272	I	97.5	Very high	97.6	Very high	160 Å²	160	67.6 Å²	67.6	82%	0.821	37%	0.373	S	S	*	.	S	Bend	trans	-70.2	-22.3	-179.8	68.2	179.1	0	0	0	112.6	Q287	I272-Q287 HydrophobicContact CG1-CB 4.38Å
273	S	97.9	Very high	97.6	Very high	39 Å²	39	67.7 Å²	67.7	27%	0.273	37%	0.373	S	S	.	.			trans	-146.8	134.7	178.3	55	0	0	0	0	110.9	G271 Q287 V288	G271-S273 PolarHBondContact O-N 3.43Å; S273-Q287 PolarHBondContact O-N 3.35Å; S273-Q287 PolarHBondContact OG-N 3.42Å; S273-V288 PolarHBondContact O-N 3.08Å
274	T	98.4	Very high	97.5	Very high	71 Å²	71	74.3 Å²	74.3	44%	0.436	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.8	179	-54.2	0	0	0	0	109.3	V288 E290	T274-V288 VanDerWaalsContact CA-O 3.27Å; T274-V288 WeakPolarHBondContact CA-O 3.42Å; T274-V288 HydrophobicContact CG2-CB 4.17Å; T274-V288 HydrophobicContact CG2-CG1 4.18Å; T274-E290 HydrophobicContact CG2-CG 4.42Å
275	G	97.9	Very high	97.5	Very high	23 Å²	23	75.9 Å²	75.9	24%	0.237	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	161.4	175.6	0	0	0	0	0	112.5	V288 V289 E290	G275-V288 PolarHBondContact N-O 3.23Å; G275-V289 CarbonylContact O-C 3.56Å; G275-V289 WeakPolarHBondContact O-CA 3.39Å; G275-E290 PolarHBondContact O-N 3.34Å
276	H	98.4	Very high	97.5	Very high	141 Å²	141	73.8 Å²	73.8	65%	0.653	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	152.1	171.2	-59.5	-58.8	0	0	0	110.8	S278 E290	H276-S278 PolarHBondContact O-N 3.38Å; H276-E290 IonicContact CE1-OE2 3.6Å; H276-E290 PolarHBondContact CE1-OE2 2.83Å; H276-E290 IonicContact ND1-OE2 2.64Å; H276-E290 PolarHBondContact ND1-OE2 3.37Å
277	W	98.6	Very high	97.5	Very high	21 Å²	21	74.5 Å²	74.5	8%	0.08	40%	0.404	C	S	.	.			trans	-49.5	124	174.1	176.4	-92.7	0	0	0	111.9	I233 T237 E280 V289 E290 L291 L297 P299 P301	I233-W277 HydrophobicContact CG2-CH2 4.33Å; I233-W277 HydrophobicContact CG2-CZ3 4.15Å; T237-W277 HydrophobicContact CG2-CH2 4.36Å; T237-W277 HydrophobicContact CG2-CZ3 4.32Å; W277-E280 HydrophobicContact CH2-CB 4.22Å; W277-V289 HydrophobicContact CB-CG1 4.14Å; W277-V289 HydrophobicContact CE3-CG1 4Å; W277-E290 PolarHBondContact N-O 3.44Å; W277-L291 HydrophobicContact CB-CD1 4.09Å; W277-L291 HydrophobicContact CD2-CD1 3.87Å; W277-L291 HydrophobicContact CE3-CD1 3.86Å; W277-L291 HydrophobicContact CG-CD1 3.97Å; W277-L297 VanDerWaalsContact CD1-CD1 3.44Å; W277-L297 HydrophobicContact CD2-CD1 4.27Å; W277-L297 HydrophobicContact CG-CD1 3.9Å; W277-P299 PolarHBondContact NE1-O 3.34Å; W277-P301 HydrophobicContact CH2-CB 3.95Å; W277-P301 HydrophobicContact CH2-CG 4.09Å; W277-P301 HydrophobicContact CZ2-CB 3.84Å; W277-P301 HydrophobicContact CZ2-CG 3.85Å
278	S	97.8	Very high	97.5	Very high	44 Å²	44	70.2 Å²	70.2	31%	0.308	38%	0.378	S	S	.	.			trans	-128.5	0.8	176.1	80	0	0	0	0	113.1	H276 K282 D283 P299	H276-S278 PolarHBondContact O-N 3.38Å; S278-K282 VanDerWaalsContact OG-CB 3.28Å; S278-K282 WeakPolarHBondContact OG-CB 3.46Å; S278-D283 PolarHBondContact N-OD2 3.01Å; S278-D283 PolarHBondContact OG-OD1 3.47Å; S278-P299 WeakPolarHBondContact O-CD 3.38Å
279	G	97.1	Very high	97.7	Very high	8 Å²	8	66.5 Å²	66.5	8%	0.082	36%	0.358	C	S	.	.			trans	113.4	139.9	178.9	0	0	0	0	0	111.1	V281 K282 D283	G279-V281 VanDerWaalsContact C-N 3.25Å; G279-V281 PolarHBondContact O-N 3.1Å; G279-K282 PolarHBondContact O-N 3.25Å; G279-D283 PolarHBondContact N-OD2 3.38Å; G279-D283 PolarHBondContact O-N 2.92Å
280	E	96.9	Very high	97.8	Very high	79 Å²	79	64.8 Å²	64.8	37%	0.369	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-42.8	-171.7	-175.8	179.9	-173.6	0	0	114.5	T237 W277 D283 K284 Y303	T237-E280 HydrophobicContact CG2-CG 4.15Å; W277-E280 HydrophobicContact CH2-CB 4.22Å; E280-D283 PolarHBondContact O-N 3.46Å; E280-K284 PolarHBondContact O-N 2.88Å; E280-K284 VanDerWaalsContact O-N 3.13Å; E280-Y303 WeakPolarHBondContact OE2-CE2 3.37Å
281	V	97.1	Very high	97.9	Very high	133 Å²	133	62.5 Å²	62.5	81%	0.806	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-42.7	-179.9	179.1	0	0	0	0	111.9	G279 K284	G279-V281 VanDerWaalsContact C-N 3.25Å; G279-V281 PolarHBondContact O-N 3.1Å; V281-K284 WeakPolarHBondContact O-CB 3.4Å
282	K	97.1	Very high	98	Very high	166 Å²	166	63 Å²	63	72%	0.722	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-73.8	-37	179.5	-66.9	-174.5	-176.4	176	0	111.2	S278 G279 K284	S278-K282 VanDerWaalsContact OG-CB 3.28Å; S278-K282 WeakPolarHBondContact OG-CB 3.46Å; G279-K282 PolarHBondContact O-N 3.25Å; K282-K284 PolarHBondContact O-N 3.48Å
283	D	97.8	Very high	98	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.027	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-82.2	3	-177.5	-60.1	-29.4	0	0	0	112.9	R239 S278 G279 E280 N285 V286 V289	R239-D283 PolarHBondContact NH2-O 3.22Å; S278-D283 PolarHBondContact N-OD2 3.01Å; S278-D283 PolarHBondContact OG-OD1 3.47Å; G279-D283 PolarHBondContact N-OD2 3.38Å; G279-D283 PolarHBondContact O-N 2.92Å; E280-D283 PolarHBondContact O-N 3.46Å; D283-N285 PolarHBondContact O-N 3.32Å; D283-N285 VanDerWaalsContact O-N 3.09Å; D283-V286 PolarHBondContact O-N 2.91Å; D283-V289 HydrophobicContact CB-CG2 3.93Å
284	K	96.8	Very high	97.9	Very high	139 Å²	139	57 Å²	57	60%	0.604	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-51	-39.5	-175.7	-176.9	178.5	178.6	179.8	0	113.4	K208 E280 V281 K282	K208-K284 PolarHBondContact NZ-O 3.47Å; E280-K284 PolarHBondContact O-N 2.88Å; E280-K284 VanDerWaalsContact O-N 3.13Å; V281-K284 WeakPolarHBondContact O-CB 3.4Å; K282-K284 PolarHBondContact O-N 3.48Å
285	N	97.5	Very high	97.8	Very high	144 Å²	144	59.3 Å²	59.3	77%	0.77	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-99.5	-1.2	-178.3	-64.2	-22.5	0	0	0	113.7	D283	D283-N285 PolarHBondContact O-N 3.32Å; D283-N285 VanDerWaalsContact O-N 3.09Å
286	V	98.5	Very high	97.7	Very high	30 Å²	30	61.8 Å²	61.8	18%	0.182	32%	0.324	C	S	.	.			trans	-81.1	123.3	174.6	-177.5	0	0	0	0	108.4	R239 D283 V288 V289	R239-V286 PolarHBondContact NH1-O 3.15Å; R239-V286 PolarHBondContact NH2-O 3.01Å; D283-V286 PolarHBondContact O-N 2.91Å; V286-V288 VanDerWaalsContact CG1-O 3.3Å; V286-V288 WeakPolarHBondContact CG1-O 3.41Å; V286-V289 HydrophobicContact CB-CG2 4.07Å; V286-V289 HydrophobicContact CG1-CG2 3.89Å
287	Q	98.6	Very high	97.7	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.075	30%	0.295	C	S	.	.	S	Bend	trans	-72.3	-46.5	-176.9	-173	179.7	2.8	0	0	111.3	S205 K206 A207 K208 K209 R239 I272 S273	S205-Q287 PolarHBondContact O-NE2 3.37Å; K206-Q287 VanDerWaalsContact C-NE2 3.34Å; A207-Q287 VanDerWaalsContact O-CG 3.27Å; A207-Q287 WeakPolarHBondContact O-CG 3.43Å; A207-Q287 PolarHBondContact O-NE2 3.19Å; K208-Q287 CarbonylContact C-O 3.53Å; K208-Q287 WeakPolarHBondContact CA-O 3.42Å; K209-Q287 PolarHBondContact N-O 2.87Å; R239-Q287 PolarHBondContact NH1-O 3.2Å; I272-Q287 HydrophobicContact CG1-CB 4.38Å; S273-Q287 PolarHBondContact O-N 3.35Å; S273-Q287 PolarHBondContact OG-N 3.42Å
288	V	98.8	Very high	97.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.6	-176.9	-173.2	0	0	0	0	109.4	K209 V211 S273 T274 G275 V286	K209-V288 HydrophobicContact CB-CB 4.48Å; K209-V288 HydrophobicContact CB-CG1 4.22Å; K209-V288 HydrophobicContact CB-CG2 4.19Å; K209-V288 HydrophobicContact CD-CG2 4.1Å; K209-V288 HydrophobicContact CG-CG2 4.49Å; V211-V288 HydrophobicContact CG2-CG1 3.49Å; V211-V288 VanDerWaalsContact CG2-CG1 3.49Å; S273-V288 PolarHBondContact O-N 3.08Å; T274-V288 VanDerWaalsContact CA-O 3.27Å; T274-V288 WeakPolarHBondContact CA-O 3.42Å; T274-V288 HydrophobicContact CG2-CB 4.17Å; T274-V288 HydrophobicContact CG2-CG1 4.18Å; G275-V288 PolarHBondContact N-O 3.23Å; V286-V288 VanDerWaalsContact CG1-O 3.3Å; V286-V288 WeakPolarHBondContact CG1-O 3.41Å
289	V	98.8	Very high	97.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.4	-179.4	-179.9	0	0	0	0	109.9	K209 L210 V211 R239 G275 W277 D283 V286	K209-V289 PolarHBondContact O-N 3.01Å; L210-V289 CarbonylContact C-O 3.54Å; L210-V289 WeakPolarHBondContact CA-O 3.29Å; V211-V289 PolarHBondContact N-O 3.41Å; R239-V289 VanDerWaalsContact CZ-CG2 3.5Å; G275-V289 CarbonylContact O-C 3.56Å; G275-V289 WeakPolarHBondContact O-CA 3.39Å; W277-V289 HydrophobicContact CB-CG1 4.14Å; W277-V289 HydrophobicContact CE3-CG1 4Å; D283-V289 HydrophobicContact CB-CG2 3.93Å; V286-V289 HydrophobicContact CB-CG2 4.07Å; V286-V289 HydrophobicContact CG1-CG2 3.89Å
290	E	98.7	Very high	97.6	Very high	49 Å²	49	66.5 Å²	66.5	23%	0.229	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.1	175	-62	-178.9	-178.2	0	0	110.2	V211 R269 T274 G275 H276 W277	V211-E290 HydrophobicContact CB-CG 4.24Å; R269-E290 IonicContact CZ-OE1 3.66Å; R269-E290 IonicContact NH1-OE1 3.73Å; R269-E290 IonicContact NH2-OE1 2.69Å; R269-E290 PolarHBondContact NH2-OE1 2.96Å; T274-E290 HydrophobicContact CG2-CG 4.42Å; G275-E290 PolarHBondContact O-N 3.34Å; H276-E290 IonicContact CE1-OE2 3.6Å; H276-E290 PolarHBondContact CE1-OE2 2.83Å; H276-E290 IonicContact ND1-OE2 2.64Å; H276-E290 PolarHBondContact ND1-OE2 3.37Å; W277-E290 PolarHBondContact N-O 3.44Å
291	L	98.6	Very high	97.7	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.063	33%	0.326	C	S	.	.			trans	-98	126.6	-176.6	-168	74.9	0	0	0	110.6	L210 V211 Y229 C230 I233 W277 L297	L210-L291 HydrophobicContact CD1-CB 4.39Å; L210-L291 HydrophobicContact CD1-CD1 4.49Å; L210-L291 HydrophobicContact CD1-CD2 4.28Å; L210-L291 HydrophobicContact CD2-CB 3.74Å; L210-L291 HydrophobicContact CD2-CD2 3.91Å; L210-L291 HydrophobicContact CD2-CG 4.43Å; L210-L291 HydrophobicContact CG-CB 4.13Å; V211-L291 PolarHBondContact O-N 2.96Å; Y229-L291 HydrophobicContact CD1-CD2 4.32Å; Y229-L291 HydrophobicContact CE1-CD2 3.54Å; Y229-L291 HydrophobicContact CE1-CG 4.15Å; C230-L291 HydrophobicContact CB-CD2 4.13Å; I233-L291 HydrophobicContact CB-CD2 4.27Å; I233-L291 HydrophobicContact CD1-CD1 4.28Å; I233-L291 HydrophobicContact CD1-CD2 3.8Å; I233-L291 HydrophobicContact CG2-CD1 4.41Å; I233-L291 HydrophobicContact CG2-CD2 4.42Å; W277-L291 HydrophobicContact CB-CD1 4.09Å; W277-L291 HydrophobicContact CD2-CD1 3.87Å; W277-L291 HydrophobicContact CE3-CD1 3.86Å; W277-L291 HydrophobicContact CG-CD1 3.97Å; L291-L297 HydrophobicContact CD1-CD1 3.72Å
292	P	98.3	Very high	97.7	Very high	43 Å²	43	59.9 Å²	59.9	28%	0.279	31%	0.306	S	S	.	.			trans	-76.9	174.4	175.7	34.3	-36.7	0	0	0	111.6	Y229 L297	Y229-P292 WeakPolarHBondContact CE1-O 3.38Å; Y229-P292 PolarHBondContact OH-O 2.8Å; P292-L297 HydrophobicContact CG-CD1 4.13Å
293	I	97.9	Very high	97.8	Very high	61 Å²	61	53 Å²	53	31%	0.313	28%	0.276	S	S	.	.			trans	-58.9	149.7	167.2	63	173.3	0	0	0	110.5	K216 D295 S296 L297	K216-I293 HydrophobicContact CB-CG2 4.27Å; K216-I293 HydrophobicContact CD-CB 4.38Å; K216-I293 HydrophobicContact CD-CG2 3.92Å; K216-I293 HydrophobicContact CG-CG2 3.91Å; I293-D295 HydrophobicContact CD1-CB 4Å; I293-D295 HydrophobicContact CG1-CB 4.2Å; I293-D295 PolarHBondContact O-N 2.99Å; I293-D295 VanDerWaalsContact O-N 3.09Å; I293-S296 WeakPolarHBondContact CG1-OG 3.33Å; I293-S296 PolarHBondContact O-N 3.07Å; I293-S296 PolarHBondContact O-OG 3.24Å; I293-L297 PolarHBondContact O-N 3.08Å
294	V	96.7	Very high	97.8	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.4	-30.1	-176.8	67.3	0	0	0	0	113.4	Y229 S296 L297	Y229-V294 HydrophobicContact CD1-CB 4.5Å; Y229-V294 HydrophobicContact CD2-CB 3.96Å; Y229-V294 HydrophobicContact CD2-CG2 3.96Å; Y229-V294 HydrophobicContact CE1-CB 4.3Å; Y229-V294 HydrophobicContact CE2-CB 3.7Å; Y229-V294 HydrophobicContact CE2-CG2 3.65Å; Y229-V294 HydrophobicContact CG-CB 4.35Å; V294-S296 VanDerWaalsContact C-N 3.26Å; V294-S296 PolarHBondContact O-N 3.07Å; V294-L297 WeakPolarHBondContact O-CB 3.19Å; V294-L297 PolarHBondContact O-N 2.04Å
295	D	95.9	Very high	97.9	Very high	119 Å²	119	46.2 Å²	46.2	64%	0.636	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.4	-29.1	179.9	-47.8	-108.7	0	0	0	112.9	K216 I293	K216-D295 WeakPolarHBondContact CE-OD2 3.44Å; K216-D295 IonicContact NZ-OD2 3.59Å; K216-D295 PolarHBondContact NZ-OD2 3.42Å; I293-D295 HydrophobicContact CD1-CB 4Å; I293-D295 HydrophobicContact CG1-CB 4.2Å; I293-D295 PolarHBondContact O-N 2.99Å; I293-D295 VanDerWaalsContact O-N 3.09Å
296	S	96.4	Very high	97.9	Very high	74 Å²	74	40.6 Å²	40.6	52%	0.517	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-114.2	11.8	178.9	57.1	0	0	0	0	113.2	I293 V294 H298	I293-S296 WeakPolarHBondContact CG1-OG 3.33Å; I293-S296 PolarHBondContact O-N 3.07Å; I293-S296 PolarHBondContact O-OG 3.24Å; V294-S296 VanDerWaalsContact C-N 3.26Å; V294-S296 PolarHBondContact O-N 3.07Å; S296-H298 PolarHBondContact O-N 3.05Å
297	L	97.8	Very high	97.9	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	21%	0.21	C	C	.	.			trans	-73.1	115.3	179.8	-179	69	0	0	0	111.4	Y229 I233 W277 L291 P292 I293 V294 R300 P301	Y229-L297 HydrophobicContact CE2-CD2 3.79Å; Y229-L297 VanDerWaalsContact OH-CD1 3.3Å; Y229-L297 WeakPolarHBondContact OH-CD1 2.97Å; Y229-L297 WeakPolarHBondContact OH-CD2 3.37Å; Y229-L297 WeakPolarHBondContact OH-CG 3.4Å; I233-L297 HydrophobicContact CD1-CD2 4.12Å; W277-L297 VanDerWaalsContact CD1-CD1 3.44Å; W277-L297 HydrophobicContact CD2-CD1 4.27Å; W277-L297 HydrophobicContact CG-CD1 3.9Å; L291-L297 HydrophobicContact CD1-CD1 3.72Å; P292-L297 HydrophobicContact CG-CD1 4.13Å; I293-L297 PolarHBondContact O-N 3.08Å; V294-L297 WeakPolarHBondContact O-CB 3.19Å; V294-L297 PolarHBondContact O-N 2.04Å; L297-R300 HydrophobicContact CD2-CG 4.25Å; L297-R300 HydrophobicContact CG-CG 4.49Å; L297-P301 VanDerWaalsContact CD2-CD 3.43Å; L297-P301 HydrophobicContact CD2-CG 4.33Å
298	H	96.2	Very high	97.9	Very high	153 Å²	153	38.7 Å²	38.7	71%	0.708	21%	0.207	S	C	*	.	S	Bend	trans	-146	132.9	172.1	-176.7	-80.1	0	0	0	111.8	S296	S296-H298 PolarHBondContact O-N 3.05Å
299	P	97.9	Very high	97.9	Very high	52 Å²	52	38.7 Å²	38.7	34%	0.338	21%	0.207	S	C	.	.	S	Bend	cis	-70.9	154.7	-8.4	31.7	-35.3	0	0	0	111.3	W277 S278	W277-P299 PolarHBondContact NE1-O 3.34Å; S278-P299 WeakPolarHBondContact O-CD 3.38Å
300	R	98.1	Very high	97.9	Very high	99 Å²	99	44.1 Å²	44.1	37%	0.374	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-76.9	123.7	176	-68.3	172.6	59.1	90.3	-5.3	110.1	L297 L304 G501 Q502 N503	L297-R300 HydrophobicContact CD2-CG 4.25Å; L297-R300 HydrophobicContact CG-CG 4.49Å; R300-L304 HydrophobicContact CB-CD1 4.25Å; R300-L304 VanDerWaalsContact NH2-CD1 3.32Å; R300-G501 PolarHBondContact NH1-O 3.15Å; R300-G501 PolarHBondContact NH2-O 2.97Å; R300-Q502 PolarHBondContact NH2-O 3.4Å; R300-N503 PolarHBondContact NH2-OD1 2.9Å
301	P	98	Very high	97.9	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.065	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-72.8	164.9	173.1	31.9	-32.8	0	0	0	111	I233 W277 L297 Y303	I233-P301 HydrophobicContact CD1-CG 3.72Å; I233-P301 HydrophobicContact CG1-CG 3.82Å; I233-P301 HydrophobicContact CG2-CG 4.22Å; W277-P301 HydrophobicContact CH2-CB 3.95Å; W277-P301 HydrophobicContact CH2-CG 4.09Å; W277-P301 HydrophobicContact CZ2-CB 3.84Å; W277-P301 HydrophobicContact CZ2-CG 3.85Å; L297-P301 VanDerWaalsContact CD2-CD 3.43Å; L297-P301 HydrophobicContact CD2-CG 4.33Å; P301-Y303 HydrophobicContact CB-CD2 4.03Å; P301-Y303 PolarHBondContact O-N 3.5Å
302	P	98.2	Very high	97.9	Very high	62 Å²	62	44.2 Å²	44.2	40%	0.403	23%	0.234	S	C	.	.	S	Bend	trans	-71.9	-16	178.5	31.1	-36.4	0	0	0	113.2	L304 V565	P302-L304 PolarHBondContact O-N 2.77Å; P302-V565 HydrophobicContact CB-CG1 3.88Å; P302-V565 HydrophobicContact CB-CG2 4.25Å; P302-V565 HydrophobicContact CG-CG1 4.23Å; P302-V565 WeakPolarHBondContact O-CG2 3.39Å
303	Y	98.5	Very high	97.9	Very high	21 Å²	21	42.4 Å²	42.4	8%	0.082	22%	0.223	C	C	.	.			trans	-79.1	54	-172.3	-48.5	-61.2	0	0	0	113.8	T237 E280 P301 V565 Y567	T237-Y303 HydrophobicContact CG2-CD2 4.17Å; T237-Y303 HydrophobicContact CG2-CE2 3.97Å; E280-Y303 WeakPolarHBondContact OE2-CE2 3.37Å; P301-Y303 HydrophobicContact CB-CD2 4.03Å; P301-Y303 PolarHBondContact O-N 3.5Å; Y303-V565 HydrophobicContact CD1-CG1 3.75Å; Y303-V565 HydrophobicContact CE1-CG1 3.91Å; Y303-Y567 WeakPolarHBondContact CA-OH 3.47Å; Y303-Y567 WeakPolarHBondContact CB-OH 3.27Å; Y303-Y567 AromaticContact CD1-CD1 3.61Å; Y303-Y567 HydrophobicContact CD1-CD1 3.61Å; Y303-Y567 HydrophobicContact CD1-CD2 4.15Å; Y303-Y567 AromaticContact CD1-CE1 3.43Å; Y303-Y567 HydrophobicContact CD1-CE1 3.43Å; Y303-Y567 VanDerWaalsContact CD1-CE1 3.43Å; Y303-Y567 AromaticContact CD1-CE2 3.97Å; Y303-Y567 HydrophobicContact CD1-CE2 3.97Å; Y303-Y567 HydrophobicContact CD1-CG 4.02Å; Y303-Y567 AromaticContact CD1-CZ 3.64Å; Y303-Y567 HydrophobicContact CE1-CD1 4.14Å; Y303-Y567 HydrophobicContact CE1-CE1 4.38Å; Y303-Y567 HydrophobicContact CE1-CG 4.33Å; Y303-Y567 HydrophobicContact CG-CD1 4.43Å; Y303-Y567 AromaticContact CG-CE1 3.9Å; Y303-Y567 HydrophobicContact CG-CE1 3.9Å; Y303-Y567 PolarHBondContact O-OH 3.47Å
304	L	98.4	Very high	97.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.24	C	C	.	.			trans	-129.5	148.7	-175.9	-64	175.7	0	0	0	111.3	Y229 I233 R300 P302 A307	Y229-L304 HydrophobicContact CD2-CD2 3.53Å; Y229-L304 HydrophobicContact CE2-CD2 3.56Å; I233-L304 HydrophobicContact CD1-CD2 3.97Å; I233-L304 HydrophobicContact CG1-CD2 4.23Å; R300-L304 HydrophobicContact CB-CD1 4.25Å; R300-L304 VanDerWaalsContact NH2-CD1 3.32Å; P302-L304 PolarHBondContact O-N 2.77Å; L304-A307 PolarHBondContact O-N 2.96Å
305	P	98.4	Very high	98	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.013	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	153.9	170.2	-24.2	35.6	0	0	0	111.4	M232 A307 V328 F499 Q502 N503	M232-P305 VanDerWaalsContact CE-CD 3.48Å; M232-P305 HydrophobicContact CE-CG 3.43Å; M232-P305 VanDerWaalsContact CE-CG 3.43Å; M232-P305 HydrophobicContact SD-CG 3.75Å; P305-A307 VanDerWaalsContact C-N 3.33Å; P305-V328 HydrophobicContact CB-CG2 4.29Å; P305-V328 HydrophobicContact CG-CG2 3.89Å; P305-F499 HydrophobicContact CB-CB 3.87Å; P305-F499 HydrophobicContact CB-CD1 4.28Å; P305-F499 HydrophobicContact CB-CG 4.1Å; P305-F499 HydrophobicContact CG-CB 4.12Å; P305-F499 HydrophobicContact CG-CD1 3.73Å; P305-F499 HydrophobicContact CG-CD2 4.28Å; P305-F499 HydrophobicContact CG-CE1 4.18Å; P305-F499 HydrophobicContact CG-CG 3.78Å; P305-Q502 HydrophobicContact CB-CB 4.33Å; P305-Q502 CarbonylContact O-C 3.53Å; P305-Q502 VanDerWaalsContact O-CA 3.26Å; P305-Q502 WeakPolarHBondContact O-CA 3.04Å; P305-Q502 VanDerWaalsContact O-CB 3.31Å; P305-Q502 WeakPolarHBondContact O-CB 3.34Å; P305-N503 PolarHBondContact O-N 2.77Å
306	L	98.1	Very high	98.1	Very high	26 Å²	26	42.9 Å²	42.9	14%	0.136	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.2	21	2.9	-62.6	172.8	0	0	0	113.1	A324 Y497 Q502 H505	L306-A324 HydrophobicContact CB-CB 3.71Å; L306-A324 HydrophobicContact CD2-CB 3.92Å; L306-A324 HydrophobicContact CG-CB 4.36Å; L306-A324 VanDerWaalsContact O-CB 3.27Å; L306-A324 WeakPolarHBondContact O-CB 3.37Å; L306-Y497 HydrophobicContact CD2-CD1 4.32Å; L306-Y497 HydrophobicContact CD2-CE1 3.92Å; L306-Q502 HydrophobicContact CG-CB 4.44Å; L306-H505 HydrophobicContact CD1-CB 4.07Å
307	A	98.4	Very high	98.2	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	22%	0.217	C	C	.	.			trans	-74.9	148.4	179.6	0	0	0	0	0	112.3	L304 P305 E563 V565	L304-A307 PolarHBondContact O-N 2.96Å; P305-A307 VanDerWaalsContact C-N 3.33Å; A307-E563 CarbonylContact C-O 3.49Å; A307-E563 VanDerWaalsContact CA-O 3.23Å; A307-E563 WeakPolarHBondContact CA-O 3.43Å; A307-E563 HydrophobicContact CB-CB 3.93Å; A307-V565 HydrophobicContact CB-CB 4.39Å; A307-V565 HydrophobicContact CB-CG2 3.56Å
308	V	98.7	Very high	98.2	Very high	1 Å²	1	51 Å²	51	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	160.4	178	-61	0	0	0	0	112	E310 A313 L316 P323 W327 I562 E563 T564 V565	V308-E310 PolarHBondContact O-N 3.45Å; V308-A313 HydrophobicContact CG2-CB 4.09Å; V308-L316 HydrophobicContact CB-CD1 4.48Å; V308-P323 HydrophobicContact CG1-CB 3.85Å; V308-P323 VanDerWaalsContact CG1-O 3.29Å; V308-P323 WeakPolarHBondContact CG1-O 3.27Å; V308-W327 HydrophobicContact CG1-CB 4.08Å; V308-I562 HydrophobicContact CG2-CG2 3.98Å; V308-E563 PolarHBondContact N-O 3.15Å; V308-T564 HydrophobicContact CG2-CG2 4.28Å; V308-T564 CarbonylContact O-C 3.38Å; V308-T564 WeakPolarHBondContact O-CA 3.29Å; V308-V565 PolarHBondContact O-N 3.3Å
309	P	98.8	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.8	173.9	-25	35.9	0	0	0	112.8	D311 L312 A313 W327 V565 Y567	P309-D311 VanDerWaalsContact CB-OD1 3.29Å; P309-D311 WeakPolarHBondContact CB-OD1 3.27Å; P309-D311 PolarHBondContact O-N 2.93Å; P309-L312 HydrophobicContact CB-CB 4.3Å; P309-L312 HydrophobicContact CB-CD1 4.24Å; P309-L312 HydrophobicContact CB-CG 4.17Å; P309-L312 HydrophobicContact CG-CD1 4.25Å; P309-L312 PolarHBondContact O-N 2.96Å; P309-A313 PolarHBondContact O-N 3.3Å; P309-W327 VanDerWaalsContact CD-CD2 3.5Å; P309-W327 HydrophobicContact CG-CD2 3.72Å; P309-W327 HydrophobicContact CG-CE3 3.77Å; P309-W327 HydrophobicContact CG-CH2 3.51Å; P309-W327 HydrophobicContact CG-CZ2 3.42Å; P309-W327 VanDerWaalsContact CG-CZ2 3.42Å; P309-W327 HydrophobicContact CG-CZ3 3.68Å; P309-V565 WeakPolarHBondContact CA-O 3.36Å; P309-Y567 HydrophobicContact CB-CD2 4.1Å; P309-Y567 HydrophobicContact CB-CG 4.39Å; P309-Y567 HydrophobicContact CG-CD2 3.94Å; P309-Y567 HydrophobicContact CG-CE2 4.41Å; P309-Y567 HydrophobicContact CG-CG 4.23Å
310	E	98.6	Very high	98.3	Very high	114 Å²	114	41.6 Å²	41.6	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-55.9	-36.9	179.5	-171.9	-175.8	153	0	0	112.4	V308 L312 V565	V308-E310 PolarHBondContact O-N 3.45Å; E310-L312 VanDerWaalsContact C-N 3.26Å; E310-L312 PolarHBondContact O-N 3.45Å; E310-V565 PolarHBondContact N-O 3.43Å
311	D	98.6	Very high	98.3	Very high	60 Å²	60	39.6 Å²	39.6	32%	0.321	21%	0.207	S	C	.	.	H	α-helix	trans	-71.1	-18.6	179.4	69.2	-57.5	0	0	0	113.9	R194 P309 T569	R194-D311 IonicContact CZ-OD2 3.45Å; R194-D311 IonicContact NH1-OD1 3.13Å; R194-D311 IonicContact NH1-OD2 4Å; R194-D311 PolarHBondContact NH1-OD2 2.84Å; R194-D311 IonicContact NH2-OD2 3.27Å; R194-D311 PolarHBondContact NH2-OD2 3.37Å; P309-D311 VanDerWaalsContact CB-OD1 3.29Å; P309-D311 WeakPolarHBondContact CB-OD1 3.27Å; P309-D311 PolarHBondContact O-N 2.93Å; D311-T569 HydrophobicContact CB-CG2 4.03Å
312	L	98.6	Very high	98.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-106.8	-17.2	-178.6	-57.3	-177.2	0	0	0	113	L187 L190 V191 P309 E310 D314 R315 L316 W327	L187-L312 HydrophobicContact CD2-CD2 4.15Å; L190-L312 HydrophobicContact CD2-CD2 3.99Å; V191-L312 HydrophobicContact CG2-CD1 3.66Å; P309-L312 HydrophobicContact CB-CB 4.3Å; P309-L312 HydrophobicContact CB-CD1 4.24Å; P309-L312 HydrophobicContact CB-CG 4.17Å; P309-L312 HydrophobicContact CG-CD1 4.25Å; P309-L312 PolarHBondContact O-N 2.96Å; E310-L312 VanDerWaalsContact C-N 3.26Å; E310-L312 PolarHBondContact O-N 3.45Å; L312-D314 PolarHBondContact O-N 2.89Å; L312-R315 PolarHBondContact O-N 3.36Å; L312-R315 VanDerWaalsContact O-N 3.07Å; L312-L316 HydrophobicContact CB-CD1 3.93Å; L312-L316 HydrophobicContact CB-CG 4.26Å; L312-L316 WeakPolarHBondContact O-CG 3.2Å; L312-L316 PolarHBondContact O-N 2.94Å; L312-W327 HydrophobicContact CD1-CZ3 4.3Å
313	A	98.3	Very high	98.4	Very high	6 Å²	6	38.7 Å²	38.7	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-52.1	-51.4	-170.7	0	0	0	0	0	113.3	V308 P309 R315 L316 I317 T564	V308-A313 HydrophobicContact CG2-CB 4.09Å; P309-A313 PolarHBondContact O-N 3.3Å; A313-R315 VanDerWaalsContact C-N 3.3Å; A313-R315 PolarHBondContact O-N 3.09Å; A313-L316 PolarHBondContact O-N 2.85Å; A313-I317 VanDerWaalsContact O-CG1 3.23Å; A313-I317 WeakPolarHBondContact O-CG1 3.21Å; A313-I317 PolarHBondContact O-N 3.31Å; A313-T564 HydrophobicContact CB-CG2 3.6Å
314	D	98.3	Very high	98.4	Very high	127 Å²	127	38.1 Å²	38.1	68%	0.679	20%	0.198	S	C	*	.	H	α-helix	trans	-63	-34.9	-179	-76.1	-14.2	0	0	0	113.3	L312	L312-D314 PolarHBondContact O-N 2.89Å
315	R	98.5	Very high	98.4	Very high	74 Å²	74	38 Å²	38	28%	0.279	20%	0.198	S	C	.	.	H	α-helix	trans	-72.7	-42.8	177.5	-63.3	178.4	66.9	-165.5	-0.5	110.4	E183 L187 L312 A313 R318 V319	E183-R315 VanDerWaalsContact CD-NH2 3.26Å; E183-R315 IonicContact OE1-CZ 3.23Å; E183-R315 IonicContact OE1-NE 2.71Å; E183-R315 PolarHBondContact OE1-NE 2.76Å; E183-R315 IonicContact OE1-NH2 3.58Å; E183-R315 PolarHBondContact OE1-NH2 3.5Å; E183-R315 IonicContact OE2-NH2 3.81Å; E183-R315 PolarHBondContact OE2-NH2 3.42Å; L187-R315 HydrophobicContact CD1-CB 4.19Å; L187-R315 HydrophobicContact CD2-CB 4.02Å; L187-R315 VanDerWaalsContact CD2-CZ 3.4Å; L312-R315 PolarHBondContact O-N 3.36Å; L312-R315 VanDerWaalsContact O-N 3.07Å; A313-R315 VanDerWaalsContact C-N 3.3Å; A313-R315 PolarHBondContact O-N 3.09Å; R315-R318 WeakPolarHBondContact O-CB 3.44Å; R315-R318 PolarHBondContact O-N 2.83Å; R315-V319 WeakPolarHBondContact O-CG2 3.48Å; R315-V319 PolarHBondContact O-N 3.04Å
316	L	98.4	Very high	98.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-45.3	178.7	-70	172.4	0	0	0	112.1	L187 V308 L312 A313 R318 V319 H320 P323 W326	L187-L316 HydrophobicContact CD1-CD2 4.01Å; V308-L316 HydrophobicContact CB-CD1 4.48Å; L312-L316 HydrophobicContact CB-CD1 3.93Å; L312-L316 HydrophobicContact CB-CG 4.26Å; L312-L316 WeakPolarHBondContact O-CG 3.2Å; L312-L316 PolarHBondContact O-N 2.94Å; A313-L316 PolarHBondContact O-N 2.85Å; L316-R318 PolarHBondContact O-N 2.99Å; L316-R318 VanDerWaalsContact O-N 3.16Å; L316-V319 PolarHBondContact O-N 2.8Å; L316-H320 PolarHBondContact O-N 3.45Å; L316-P323 HydrophobicContact CB-CB 3.93Å; L316-P323 HydrophobicContact CB-CG 4.15Å; L316-P323 HydrophobicContact CD1-CB 4.33Å; L316-W326 HydrophobicContact CD1-CE3 3.83Å; L316-W326 HydrophobicContact CD1-CZ3 4.05Å; L316-W326 HydrophobicContact CD2-CD2 3.38Å; L316-W326 HydrophobicContact CD2-CE3 3.25Å; L316-W326 HydrophobicContact CD2-CG 4.01Å; L316-W326 HydrophobicContact CD2-CH2 3.95Å; L316-W326 HydrophobicContact CD2-CZ2 4.06Å; L316-W326 HydrophobicContact CD2-CZ3 3.55Å; L316-W326 HydrophobicContact CG-CE3 4.19Å; L316-W326 HydrophobicContact CG-CZ3 4.36Å
317	I	98.1	Very high	98.5	Very high	90 Å²	90	36.9 Å²	36.9	46%	0.462	19%	0.191	S	C	.	.	H	α-helix	trans	-59.3	-30.3	178.2	-68.9	165.7	0	0	0	111.9	A313 V319 P323 I562	A313-I317 VanDerWaalsContact O-CG1 3.23Å; A313-I317 WeakPolarHBondContact O-CG1 3.21Å; A313-I317 PolarHBondContact O-N 3.31Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-P323 HydrophobicContact CG1-CG 4.19Å; I317-I562 HydrophobicContact CD1-CD1 3.67Å; I317-I562 HydrophobicContact CG1-CD1 3.5Å; I317-I562 VanDerWaalsContact CG1-CD1 3.5Å
318	R	97.4	Very high	98.5	Very high	164 Å²	164	36.7 Å²	36.7	62%	0.619	19%	0.189	S	C	*	.	H	α-helix	trans	-75.2	-24.5	177.9	-163.6	-177.8	-62.1	159.4	5.3	112.9	W179 R315 L316	W179-R318 HydrophobicContact CH2-CB 4.28Å; W179-R318 HydrophobicContact CH2-CG 3.57Å; W179-R318 HydrophobicContact CZ2-CG 4.47Å; W179-R318 HydrophobicContact CZ3-CG 4.13Å; R315-R318 WeakPolarHBondContact O-CB 3.44Å; R315-R318 PolarHBondContact O-N 2.83Å; L316-R318 PolarHBondContact O-N 2.99Å; L316-R318 VanDerWaalsContact O-N 3.16Å
319	V	97.9	Very high	98.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-109.7	-36	-169	175	0	0	0	0	112.5	W179 R180 E183 A184 L187 R315 L316 I317 D485	W179-V319 HydrophobicContact CH2-CG2 3.85Å; W179-V319 HydrophobicContact CZ3-CG2 4.16Å; R180-V319 HydrophobicContact CG-CG1 3.9Å; E183-V319 HydrophobicContact CB-CG2 3.94Å; E183-V319 HydrophobicContact CG-CG2 3.4Å; A184-V319 HydrophobicContact CB-CG1 3.75Å; L187-V319 HydrophobicContact CD1-CG2 4.46Å; R315-V319 WeakPolarHBondContact O-CG2 3.48Å; R315-V319 PolarHBondContact O-N 3.04Å; L316-V319 PolarHBondContact O-N 2.8Å; I317-V319 VanDerWaalsContact C-N 3.34Å; V319-D485 WeakPolarHBondContact O-CB 3.26Å
320	H	98.8	Very high	98.5	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.023	19%	0.189	C	C	.	.			trans	-130	131	-164.9	-155.5	-85.9	0	0	0	112.1	L316 D322 W326 Q480 D485	L316-H320 PolarHBondContact O-N 3.45Å; H320-D322 VanDerWaalsContact C-N 3.33Å; H320-D322 PolarHBondContact CE1-O 3.01Å; H320-D322 VanDerWaalsContact CE1-O 3.28Å; H320-D322 VanDerWaalsContact ND1-C 3.29Å; H320-D322 PolarHBondContact ND1-N 2.93Å; H320-D322 PolarHBondContact ND1-O 2.94Å; H320-D322 PolarHBondContact O-N 3.11Å; H320-W326 AromaticContact CD2-CD1 3.58Å; H320-W326 AromaticContact NE2-CD1 3.89Å; H320-Q480 PolarHBondContact CE1-OE1 3.05Å; H320-Q480 VanDerWaalsContact CE1-OE1 3.25Å; H320-Q480 PolarHBondContact NE2-OE1 3.28Å; H320-Q480 VanDerWaalsContact NE2-OE1 3.1Å; H320-D485 IonicContact CD2-OD1 2.75Å; H320-D485 IonicContact CE1-OD1 3.91Å; H320-D485 IonicContact CG-OD1 3.02Å; H320-D485 IonicContact ND1-OD1 3.42Å; H320-D485 IonicContact NE2-OD1 3.59Å
321	G	98.3	Very high	98.5	Very high	57 Å²	57	31.2 Å²	31.2	59%	0.588	16%	0.164	S	C	*	.	S	Bend	trans	-69.5	-24	-178.5	0	0	0	0	0	115.2	D485 S487	G321-D485 PolarHBondContact N-OD1 3.14Å; G321-D485 PolarHBondContact N-OD2 2.91Å; G321-S487 WeakPolarHBondContact CA-OG 3.46Å; G321-S487 PolarHBondContact N-OG 3.37Å
322	D	98.7	Very high	98.6	Very high	46 Å²	46	28.4 Å²	28.4	25%	0.246	15%	0.149	C	C	.	.			trans	-132.8	92.2	171.2	-176.6	-12	0	0	0	110.9	H320 A324 V325 W326	H320-D322 VanDerWaalsContact C-N 3.33Å; H320-D322 PolarHBondContact CE1-O 3.01Å; H320-D322 VanDerWaalsContact CE1-O 3.28Å; H320-D322 VanDerWaalsContact ND1-C 3.29Å; H320-D322 PolarHBondContact ND1-N 2.93Å; H320-D322 PolarHBondContact ND1-O 2.94Å; H320-D322 PolarHBondContact O-N 3.11Å; D322-A324 PolarHBondContact O-N 2.89Å; D322-A324 WeakPolarHBondContact OD1-CB 3.14Å; D322-A324 PolarHBondContact OD1-N 2.9Å; D322-V325 HydrophobicContact CB-CG1 3.75Å; D322-V325 VanDerWaalsContact O-CG1 3.29Å; D322-V325 WeakPolarHBondContact O-CG1 3.3Å; D322-V325 PolarHBondContact OD1-N 2.6Å; D322-W326 PolarHBondContact O-N 3.22Å
323	P	98.8	Very high	98.6	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.039	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-24.6	179.2	-30.6	40.1	0	0	0	114.8	V308 L316 I317 W326 W327 I562	V308-P323 HydrophobicContact CG1-CB 3.85Å; V308-P323 VanDerWaalsContact CG1-O 3.29Å; V308-P323 WeakPolarHBondContact CG1-O 3.27Å; L316-P323 HydrophobicContact CB-CB 3.93Å; L316-P323 HydrophobicContact CB-CG 4.15Å; L316-P323 HydrophobicContact CD1-CB 4.33Å; I317-P323 HydrophobicContact CG1-CG 4.19Å; P323-W326 PolarHBondContact O-N 3.26Å; P323-W327 PolarHBondContact O-N 2.92Å; P323-I562 HydrophobicContact CG-CD1 4.19Å
324	A	98.7	Very high	98.6	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-48.2	-176	0	0	0	0	0	111	L306 D322 W326 W327 V328	L306-A324 HydrophobicContact CB-CB 3.71Å; L306-A324 HydrophobicContact CD2-CB 3.92Å; L306-A324 HydrophobicContact CG-CB 4.36Å; L306-A324 VanDerWaalsContact O-CB 3.27Å; L306-A324 WeakPolarHBondContact O-CB 3.37Å; D322-A324 PolarHBondContact O-N 2.89Å; D322-A324 WeakPolarHBondContact OD1-CB 3.14Å; D322-A324 PolarHBondContact OD1-N 2.9Å; A324-W326 VanDerWaalsContact C-N 3.31Å; A324-W326 PolarHBondContact O-N 2.81Å; A324-W327 PolarHBondContact O-N 3.14Å; A324-V328 WeakPolarHBondContact O-CG2 3.46Å; A324-V328 PolarHBondContact O-N 3.25Å; A324-V328 VanDerWaalsContact O-N 3.08Å
325	V	98.8	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-35.2	175.3	66.6	0	0	0	0	111.6	D322 W327 V328 S329 Y476 E477 Q480 Y497	D322-V325 HydrophobicContact CB-CG1 3.75Å; D322-V325 VanDerWaalsContact O-CG1 3.29Å; D322-V325 WeakPolarHBondContact O-CG1 3.3Å; D322-V325 PolarHBondContact OD1-N 2.6Å; V325-W327 VanDerWaalsContact C-N 3.31Å; V325-W327 PolarHBondContact O-N 3.18Å; V325-V328 PolarHBondContact O-N 3.05Å; V325-S329 WeakPolarHBondContact O-CB 3.34Å; V325-S329 PolarHBondContact O-N 2.9Å; V325-Y476 HydrophobicContact CB-CE1 4.23Å; V325-Y476 HydrophobicContact CG1-CE1 4.16Å; V325-Y476 HydrophobicContact CG2-CD1 3.93Å; V325-Y476 HydrophobicContact CG2-CE1 3.69Å; V325-E477 HydrophobicContact CG2-CB 4.46Å; V325-E477 HydrophobicContact CG2-CG 3.75Å; V325-Q480 HydrophobicContact CG1-CG 4Å; V325-Q480 HydrophobicContact CG2-CG 3.87Å; V325-Y497 HydrophobicContact CB-CD1 4.23Å; V325-Y497 HydrophobicContact CB-CE1 3.84Å; V325-Y497 HydrophobicContact CB-CE2 4.49Å; V325-Y497 HydrophobicContact CG2-CD2 4.46Å; V325-Y497 HydrophobicContact CG2-CE1 4.16Å; V325-Y497 HydrophobicContact CG2-CE2 3.94Å
326	W	98.9	Very high	98.6	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-41.8	174	-175.2	94.4	0	0	0	111.5	L187 V191 L316 H320 D322 P323 A324 S329 Q330	L187-W326 HydrophobicContact CB-CH2 3.91Å; L187-W326 HydrophobicContact CB-CZ2 3.67Å; V191-W326 HydrophobicContact CB-CH2 4.48Å; V191-W326 HydrophobicContact CG2-CH2 3.79Å; V191-W326 HydrophobicContact CG2-CZ3 4.13Å; L316-W326 HydrophobicContact CD1-CE3 3.83Å; L316-W326 HydrophobicContact CD1-CZ3 4.05Å; L316-W326 HydrophobicContact CD2-CD2 3.38Å; L316-W326 HydrophobicContact CD2-CE3 3.25Å; L316-W326 HydrophobicContact CD2-CG 4.01Å; L316-W326 HydrophobicContact CD2-CH2 3.95Å; L316-W326 HydrophobicContact CD2-CZ2 4.06Å; L316-W326 HydrophobicContact CD2-CZ3 3.55Å; L316-W326 HydrophobicContact CG-CE3 4.19Å; L316-W326 HydrophobicContact CG-CZ3 4.36Å; H320-W326 AromaticContact CD2-CD1 3.58Å; H320-W326 AromaticContact NE2-CD1 3.89Å; D322-W326 PolarHBondContact O-N 3.22Å; P323-W326 PolarHBondContact O-N 3.26Å; A324-W326 VanDerWaalsContact C-N 3.31Å; A324-W326 PolarHBondContact O-N 2.81Å; W326-S329 PolarHBondContact O-N 2.9Å; W326-S329 PolarHBondContact O-OG 2.91Å; W326-Q330 HydrophobicContact CD2-CG 4.37Å; W326-Q330 VanDerWaalsContact CE2-NE2 3.31Å; W326-Q330 HydrophobicContact CE3-CG 4.02Å; W326-Q330 HydrophobicContact CH2-CG 3.81Å; W326-Q330 HydrophobicContact CZ2-CG 4.16Å; W326-Q330 HydrophobicContact CZ3-CG 3.73Å; W326-Q330 WeakPolarHBondContact O-CG 3.23Å; W326-Q330 PolarHBondContact O-N 3.35Å
327	W	98.9	Very high	98.7	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-44.1	178.2	-179.7	-125.6	0	0	0	112.1	V191 Y235 V308 P309 L312 P323 A324 V325 S329 Q330 F331 Y567	V191-W327 HydrophobicContact CG1-CH2 4.37Å; V191-W327 HydrophobicContact CG1-CZ3 3.69Å; V191-W327 HydrophobicContact CG2-CZ3 4Å; Y235-W327 HydrophobicContact CD1-CH2 4.1Å; Y235-W327 HydrophobicContact CD1-CZ2 4.07Å; Y235-W327 AromaticContact CE1-CH2 3.71Å; Y235-W327 HydrophobicContact CE1-CH2 3.71Å; Y235-W327 HydrophobicContact CE1-CZ2 4.06Å; Y235-W327 AromaticContact CZ-CH2 3.99Å; V308-W327 HydrophobicContact CG1-CB 4.08Å; P309-W327 VanDerWaalsContact CD-CD2 3.5Å; P309-W327 HydrophobicContact CG-CD2 3.72Å; P309-W327 HydrophobicContact CG-CE3 3.77Å; P309-W327 HydrophobicContact CG-CH2 3.51Å; P309-W327 HydrophobicContact CG-CZ2 3.42Å; P309-W327 VanDerWaalsContact CG-CZ2 3.42Å; P309-W327 HydrophobicContact CG-CZ3 3.68Å; L312-W327 HydrophobicContact CD1-CZ3 4.3Å; P323-W327 PolarHBondContact O-N 2.92Å; A324-W327 PolarHBondContact O-N 3.14Å; V325-W327 VanDerWaalsContact C-N 3.31Å; V325-W327 PolarHBondContact O-N 3.18Å; W327-S329 VanDerWaalsContact C-N 3.3Å; W327-S329 PolarHBondContact O-N 2.83Å; W327-Q330 PolarHBondContact O-N 2.79Å; W327-F331 AromaticContact CD2-CE2 3.9Å; W327-F331 HydrophobicContact CD2-CE2 3.9Å; W327-F331 AromaticContact CE2-CE2 3.5Å; W327-F331 AromaticContact CE2-CZ 3.95Å; W327-F331 HydrophobicContact CE3-CE2 4.27Å; W327-F331 AromaticContact CH2-CE2 3.94Å; W327-F331 HydrophobicContact CH2-CE2 3.94Å; W327-F331 AromaticContact CH2-CZ 3.76Å; W327-F331 HydrophobicContact CH2-CZ 3.76Å; W327-F331 AromaticContact CZ2-CE2 3.54Å; W327-F331 HydrophobicContact CZ2-CE2 3.54Å; W327-F331 AromaticContact CZ2-CZ 3.48Å; W327-F331 HydrophobicContact CZ2-CZ 3.48Å; W327-F331 VanDerWaalsContact CZ2-CZ 3.48Å; W327-F331 HydrophobicContact CZ3-CE2 4.29Å; W327-F331 HydrophobicContact CZ3-CZ 4.46Å; W327-F331 AromaticContact NE1-CE2 3.92Å; W327-F331 VanDerWaalsContact O-CD2 3.29Å; W327-F331 WeakPolarHBondContact O-CD2 3.45Å; W327-Y567 HydrophobicContact CZ2-CD1 4.25Å; W327-Y567 HydrophobicContact CZ2-CE1 4.07Å; W327-Y567 AromaticContact NE1-CZ 3.79Å
328	V	98.9	Very high	98.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-43.2	174.6	171.9	0	0	0	0	111	V228 M232 P305 A324 V325 Q330 F331 V332 E477 F499	V228-V328 HydrophobicContact CG1-CG1 4.02Å; M232-V328 HydrophobicContact SD-CG2 4.34Å; P305-V328 HydrophobicContact CB-CG2 4.29Å; P305-V328 HydrophobicContact CG-CG2 3.89Å; A324-V328 WeakPolarHBondContact O-CG2 3.46Å; A324-V328 PolarHBondContact O-N 3.25Å; A324-V328 VanDerWaalsContact O-N 3.08Å; V325-V328 PolarHBondContact O-N 3.05Å; V328-Q330 PolarHBondContact O-N 2.98Å; V328-F331 PolarHBondContact O-N 2.97Å; V328-F331 VanDerWaalsContact O-N 3.17Å; V328-V332 HydrophobicContact CG1-CG2 4.43Å; V328-V332 PolarHBondContact O-N 3.05Å; V328-E477 HydrophobicContact CG1-CG 4.12Å; V328-F499 HydrophobicContact CG1-CD2 3.89Å; V328-F499 HydrophobicContact CG1-CE2 3.87Å; V328-F499 HydrophobicContact CG2-CD2 4.17Å
329	S	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-26.5	-176.1	77.2	0	0	0	0	113.7	V325 W326 W327 F331 V332 K333 E477 T481	V325-S329 WeakPolarHBondContact O-CB 3.34Å; V325-S329 PolarHBondContact O-N 2.9Å; W326-S329 PolarHBondContact O-N 2.9Å; W326-S329 PolarHBondContact O-OG 2.91Å; W327-S329 VanDerWaalsContact C-N 3.3Å; W327-S329 PolarHBondContact O-N 2.83Å; S329-F331 VanDerWaalsContact C-N 3.3Å; S329-F331 PolarHBondContact O-N 3.42Å; S329-V332 PolarHBondContact O-N 3.04Å; S329-K333 VanDerWaalsContact O-CB 3.32Å; S329-K333 WeakPolarHBondContact O-CB 3.31Å; S329-K333 PolarHBondContact O-N 3.32Å; S329-E477 WeakPolarHBondContact CB-O 3.44Å; S329-T481 WeakPolarHBondContact OG-CG2 3.33Å
330	Q	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-37.2	176.2	-63.2	-52	-48.7	0	0	112.6	V191 Q192 W326 W327 V328 Y334	V191-Q330 HydrophobicContact CB-CG 4.26Å; V191-Q330 HydrophobicContact CG1-CB 3.71Å; V191-Q330 HydrophobicContact CG1-CG 3.86Å; Q192-Q330 PolarHBondContact NE2-O 2.93Å; W326-Q330 HydrophobicContact CD2-CG 4.37Å; W326-Q330 VanDerWaalsContact CE2-NE2 3.31Å; W326-Q330 HydrophobicContact CE3-CG 4.02Å; W326-Q330 HydrophobicContact CH2-CG 3.81Å; W326-Q330 HydrophobicContact CZ2-CG 4.16Å; W326-Q330 HydrophobicContact CZ3-CG 3.73Å; W326-Q330 WeakPolarHBondContact O-CG 3.23Å; W326-Q330 PolarHBondContact O-N 3.35Å; W327-Q330 PolarHBondContact O-N 2.79Å; V328-Q330 PolarHBondContact O-N 2.98Å; Q330-Y334 PolarHBondContact O-N 3.19Å
331	F	98.9	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-75.7	-39.9	176.1	-61.8	-83.5	0	0	0	111.2	I195 V228 F231 M232 Y235 W327 V328 S329 K333 Y334 L335	I195-F331 HydrophobicContact CD1-CD1 4.08Å; I195-F331 HydrophobicContact CD1-CE1 4.07Å; I195-F331 HydrophobicContact CG1-CE1 4.34Å; V228-F331 HydrophobicContact CG1-CB 4.03Å; F231-F331 HydrophobicContact CB-CD1 3.82Å; F231-F331 HydrophobicContact CB-CG 4.48Å; F231-F331 HydrophobicContact CD1-CB 4.36Å; F231-F331 AromaticContact CD1-CD1 3.91Å; F231-F331 HydrophobicContact CD1-CD1 3.91Å; F231-F331 HydrophobicContact CD2-CD1 4.03Å; F231-F331 HydrophobicContact CD2-CE1 4.29Å; F231-F331 AromaticContact CG-CD1 3.63Å; F231-F331 HydrophobicContact CG-CD1 3.63Å; F231-F331 HydrophobicContact CG-CE1 4.31Å; M232-F331 HydrophobicContact CG-CD1 4.41Å; M232-F331 HydrophobicContact CG-CD2 3.54Å; M232-F331 HydrophobicContact CG-CE1 4.33Å; M232-F331 HydrophobicContact CG-CE2 3.47Å; M232-F331 VanDerWaalsContact CG-CE2 3.47Å; M232-F331 HydrophobicContact CG-CG 4.03Å; M232-F331 HydrophobicContact CG-CZ 3.88Å; M232-F331 HydrophobicContact SD-CD2 4.34Å; M232-F331 HydrophobicContact SD-CE2 4.41Å; Y235-F331 HydrophobicContact CD1-CZ 4.44Å; Y235-F331 HydrophobicContact CD2-CE1 4.17Å; Y235-F331 HydrophobicContact CD2-CZ 4.37Å; Y235-F331 HydrophobicContact CG-CE1 4.06Å; Y235-F331 HydrophobicContact CG-CZ 4.05Å; W327-F331 AromaticContact CD2-CE2 3.9Å; W327-F331 HydrophobicContact CD2-CE2 3.9Å; W327-F331 AromaticContact CE2-CE2 3.5Å; W327-F331 AromaticContact CE2-CZ 3.95Å; W327-F331 HydrophobicContact CE3-CE2 4.27Å; W327-F331 AromaticContact CH2-CE2 3.94Å; W327-F331 HydrophobicContact CH2-CE2 3.94Å; W327-F331 AromaticContact CH2-CZ 3.76Å; W327-F331 HydrophobicContact CH2-CZ 3.76Å; W327-F331 AromaticContact CZ2-CE2 3.54Å; W327-F331 HydrophobicContact CZ2-CE2 3.54Å; W327-F331 AromaticContact CZ2-CZ 3.48Å; W327-F331 HydrophobicContact CZ2-CZ 3.48Å; W327-F331 VanDerWaalsContact CZ2-CZ 3.48Å; W327-F331 HydrophobicContact CZ3-CE2 4.29Å; W327-F331 HydrophobicContact CZ3-CZ 4.46Å; W327-F331 AromaticContact NE1-CE2 3.92Å; W327-F331 VanDerWaalsContact O-CD2 3.29Å; W327-F331 WeakPolarHBondContact O-CD2 3.45Å; V328-F331 PolarHBondContact O-N 2.97Å; V328-F331 VanDerWaalsContact O-N 3.17Å; S329-F331 VanDerWaalsContact C-N 3.3Å; S329-F331 PolarHBondContact O-N 3.42Å; F331-K333 VanDerWaalsContact C-N 3.32Å; F331-K333 PolarHBondContact O-N 3.33Å; F331-Y334 PolarHBondContact O-N 3.39Å; F331-L335 VanDerWaalsContact O-CG 3.25Å; F331-L335 WeakPolarHBondContact O-CG 3.43Å; F331-L335 PolarHBondContact O-N 3.39Å
332	V	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.9	-50.3	172.6	177.9	0	0	0	0	109.8	V228 V328 S329 Y334 L335 I336 E477 I478	V228-V332 HydrophobicContact CG2-CG2 3.67Å; V328-V332 HydrophobicContact CG1-CG2 4.43Å; V328-V332 PolarHBondContact O-N 3.05Å; S329-V332 PolarHBondContact O-N 3.04Å; V332-Y334 VanDerWaalsContact C-N 3.31Å; V332-Y334 PolarHBondContact O-N 3.4Å; V332-L335 PolarHBondContact O-N 3.22Å; V332-L335 VanDerWaalsContact O-N 3.1Å; V332-I336 HydrophobicContact CG1-CD1 4.29Å; V332-I336 HydrophobicContact CG1-CG2 4.23Å; V332-I336 WeakPolarHBondContact O-CG1 3.33Å; V332-I336 PolarHBondContact O-N 3Å; V332-E477 HydrophobicContact CG2-CB 4.39Å; V332-I478 HydrophobicContact CG1-CD1 4.26Å; V332-I478 HydrophobicContact CG1-CG1 3.6Å
333	K	98.9	Very high	98.7	Very high	71 Å²	71	27 Å²	27	31%	0.309	13%	0.132	S	C	.	.	H	α-helix	trans	-52.9	-45.4	178.4	-169.8	-179.2	-176.5	71.3	0	112.7	T188 Q192 S329 F331 T481	T188-K333 HydrophobicContact CG2-CD 3.98Å; Q192-K333 HydrophobicContact CG-CD 4.31Å; S329-K333 VanDerWaalsContact O-CB 3.32Å; S329-K333 WeakPolarHBondContact O-CB 3.31Å; S329-K333 PolarHBondContact O-N 3.32Å; F331-K333 VanDerWaalsContact C-N 3.32Å; F331-K333 PolarHBondContact O-N 3.33Å; K333-T481 HydrophobicContact CB-CG2 4.11Å; K333-T481 HydrophobicContact CD-CG2 4.24Å; K333-T481 HydrophobicContact CG-CG2 4.44Å
334	Y	98.9	Very high	98.7	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-39.4	179.8	-170.1	-84.1	0	0	0	112	I195 Q199 F231 V262 Q330 F331 V332 R337	I195-Y334 HydrophobicContact CB-CD2 4.21Å; I195-Y334 HydrophobicContact CB-CE2 4.5Å; I195-Y334 HydrophobicContact CG2-CD1 4.03Å; I195-Y334 HydrophobicContact CG2-CD2 3.48Å; I195-Y334 VanDerWaalsContact CG2-CD2 3.48Å; I195-Y334 HydrophobicContact CG2-CE1 4.21Å; I195-Y334 HydrophobicContact CG2-CE2 3.72Å; I195-Y334 HydrophobicContact CG2-CG 3.63Å; Q199-Y334 HydrophobicContact CG-CE1 4.04Å; F231-Y334 AromaticContact CE1-CD1 3.52Å; F231-Y334 HydrophobicContact CE1-CD1 3.52Å; F231-Y334 HydrophobicContact CE1-CE1 4.15Å; F231-Y334 HydrophobicContact CE1-CG 4.15Å; F231-Y334 AromaticContact CZ-CD1 3.72Å; F231-Y334 HydrophobicContact CZ-CD1 3.72Å; F231-Y334 AromaticContact CZ-CE1 3.95Å; F231-Y334 HydrophobicContact CZ-CE1 3.95Å; F231-Y334 HydrophobicContact CZ-CG 4.34Å; V262-Y334 WeakPolarHBondContact O-CE1 3.49Å; V262-Y334 PolarHBondContact O-OH 2.69Å; Q330-Y334 PolarHBondContact O-N 3.19Å; F331-Y334 PolarHBondContact O-N 3.39Å; V332-Y334 VanDerWaalsContact C-N 3.31Å; V332-Y334 PolarHBondContact O-N 3.4Å; Y334-R337 WeakPolarHBondContact O-CG 3.42Å; Y334-R337 PolarHBondContact O-NE 3.41Å
335	L	98.9	Very high	98.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-50.5	-179.2	-70.6	169.4	0	0	0	110.9	L224 V227 V228 F231 W255 V262 F331 V332 R337	L224-L335 HydrophobicContact CD1-CB 4.4Å; L224-L335 HydrophobicContact CD1-CD1 4.19Å; V227-L335 HydrophobicContact CB-CD1 4.21Å; V227-L335 HydrophobicContact CG1-CD1 3.75Å; V227-L335 HydrophobicContact CG1-CD2 3.68Å; V227-L335 HydrophobicContact CG1-CG 4.38Å; V228-L335 HydrophobicContact CG2-CD1 3.64Å; F231-L335 HydrophobicContact CD1-CD1 4.2Å; F231-L335 HydrophobicContact CD1-CD2 3.8Å; F231-L335 HydrophobicContact CD1-CG 3.9Å; F231-L335 HydrophobicContact CE1-CD2 3.95Å; F231-L335 HydrophobicContact CE1-CG 4.17Å; W255-L335 HydrophobicContact CH2-CB 4.1Å; W255-L335 HydrophobicContact CZ2-CB 3.89Å; W255-L335 HydrophobicContact CZ2-CD2 4.27Å; W255-L335 VanDerWaalsContact CZ2-O 3.3Å; W255-L335 WeakPolarHBondContact CZ2-O 3.39Å; V262-L335 HydrophobicContact CG1-CD2 3.8Å; F331-L335 VanDerWaalsContact O-CG 3.25Å; F331-L335 WeakPolarHBondContact O-CG 3.43Å; F331-L335 PolarHBondContact O-N 3.39Å; V332-L335 PolarHBondContact O-N 3.22Å; V332-L335 VanDerWaalsContact O-N 3.1Å; L335-R337 PolarHBondContact O-N 2.78Å
336	I	98.7	Very high	98.6	Very high	37 Å²	37	34.9 Å²	34.9	19%	0.19	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	18.3	-170.5	70.9	172.1	0	0	0	114.8	L224 F259 V332 P338 I478	L224-I336 HydrophobicContact CD1-CG2 4.41Å; L224-I336 HydrophobicContact CD2-CG2 4.22Å; F259-I336 HydrophobicContact CD1-CB 4.31Å; F259-I336 HydrophobicContact CE1-CB 3.84Å; F259-I336 HydrophobicContact CE1-CG2 4.29Å; F259-I336 HydrophobicContact CZ-CB 4.23Å; F259-I336 HydrophobicContact CZ-CG2 4.17Å; V332-I336 HydrophobicContact CG1-CD1 4.29Å; V332-I336 HydrophobicContact CG1-CG2 4.23Å; V332-I336 WeakPolarHBondContact O-CG1 3.33Å; V332-I336 PolarHBondContact O-N 3Å; I336-P338 VanDerWaalsContact O-CD 3.24Å; I336-P338 WeakPolarHBondContact O-CD 3.44Å; I336-I478 HydrophobicContact CD1-CD1 3.51Å; I336-I478 HydrophobicContact CD1-CG1 3.67Å; I336-I478 HydrophobicContact CD1-CG2 4.24Å
337	R	98.7	Very high	98.5	Very high	56 Å²	56	40.6 Å²	40.6	21%	0.211	19%	0.193	C	C	.	.			trans	-57.7	112.8	173.2	-72.5	176.2	-65.8	133.8	15.3	107.8	F259 R260 P261 Y334 L335	F259-R337 CarbonylContact C-O 3.57Å; F259-R337 WeakPolarHBondContact CA-O 3.16Å; R260-R337 HydrophobicContact CB-CB 4.23Å; R260-R337 HydrophobicContact CG-CB 4.17Å; R260-R337 PolarHBondContact N-O 3.48Å; P261-R337 PolarHBondContact O-NH2 2.95Å; Y334-R337 WeakPolarHBondContact O-CG 3.42Å; Y334-R337 PolarHBondContact O-NE 3.41Å; L335-R337 PolarHBondContact O-N 2.78Å
338	P	98.6	Very high	98.4	Very high	38 Å²	38	45.9 Å²	45.9	25%	0.247	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-71.4	151.9	-170.4	29.6	-35.7	0	0	0	111	R260 I336 L342 E343	R260-P338 WeakPolarHBondContact CG-O 3.39Å; I336-P338 VanDerWaalsContact O-CD 3.24Å; I336-P338 WeakPolarHBondContact O-CD 3.44Å; P338-L342 HydrophobicContact CB-CB 4.14Å; P338-L342 HydrophobicContact CB-CD2 3.91Å; P338-L342 HydrophobicContact CB-CG 4.07Å; P338-E343 HydrophobicContact CB-CB 4.26Å; P338-E343 HydrophobicContact CG-CB 3.94Å; P338-E343 HydrophobicContact CG-CG 4.39Å
339	Q	98.4	Very high	98.3	Very high	41 Å²	41	46.6 Å²	46.6	19%	0.192	22%	0.223	C	C	.	.			trans	-65.7	154.7	160.2	-69.6	-71.1	21.2	0	0	110	E256 V258 F259 W341 L342 E343	E256-Q339 PolarHBondContact O-NE2 2.82Å; V258-Q339 PolarHBondContact O-N 3.47Å; F259-Q339 PolarHBondContact O-NE2 2.79Å; Q339-W341 HydrophobicContact CB-CG 4.47Å; Q339-W341 PolarHBondContact O-N 2.76Å; Q339-W341 VanDerWaalsContact O-N 3.08Å; Q339-L342 PolarHBondContact O-N 2.7Å; Q339-E343 PolarHBondContact O-N 3.4Å
340	P	98.4	Very high	98.2	Very high	93 Å²	93	48.6 Å²	48.6	60%	0.604	24%	0.236	S	C	*	.	H	α-helix	trans	-55.5	-33.8	-176.4	-28.1	35.1	0	0	0	114.4	K344	P340-K344 WeakPolarHBondContact O-CB 3.27Å; P340-K344 PolarHBondContact O-N 3.01Å; P340-K344 VanDerWaalsContact O-N 3.15Å
341	W	98.2	Very high	98.1	Very high	102 Å²	102	57.4 Å²	57.4	39%	0.386	27%	0.274	S	S	.	.	H	α-helix	trans	-70.7	-35.4	178.7	72.2	-98.2	0	0	0	112.4	T257 V258 Q339 E345 R448	T257-W341 WeakPolarHBondContact O-CZ2 3.28Å; T257-W341 PolarHBondContact O-NE1 3.08Å; V258-W341 HydrophobicContact CB-CZ2 4.4Å; V258-W341 HydrophobicContact CG1-CH2 3.99Å; V258-W341 HydrophobicContact CG1-CZ2 3.82Å; Q339-W341 HydrophobicContact CB-CG 4.47Å; Q339-W341 PolarHBondContact O-N 2.76Å; Q339-W341 VanDerWaalsContact O-N 3.08Å; W341-E345 VanDerWaalsContact CZ3-OE2 3.28Å; W341-E345 WeakPolarHBondContact CZ3-OE2 3.46Å; W341-E345 PolarHBondContact O-N 2.69Å; W341-R448 HydrophobicContact CH2-CG 3.91Å; W341-R448 HydrophobicContact CZ3-CG 4.29Å
342	L	98.1	Very high	98	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-74.1	-39.5	178.4	176.4	64.4	0	0	0	110.6	V258 F259 P338 Q339 K344 E345 I346 I451	V258-L342 HydrophobicContact CB-CD2 4.15Å; V258-L342 VanDerWaalsContact O-CD2 3.22Å; V258-L342 WeakPolarHBondContact O-CD2 3.29Å; F259-L342 HydrophobicContact CD1-CD2 4.31Å; F259-L342 HydrophobicContact CE1-CD2 4.04Å; P338-L342 HydrophobicContact CB-CB 4.14Å; P338-L342 HydrophobicContact CB-CD2 3.91Å; P338-L342 HydrophobicContact CB-CG 4.07Å; Q339-L342 PolarHBondContact O-N 2.7Å; L342-K344 VanDerWaalsContact C-N 3.32Å; L342-K344 PolarHBondContact O-N 2.95Å; L342-E345 PolarHBondContact O-N 2.78Å; L342-I346 HydrophobicContact CD1-CD1 4.5Å; L342-I346 HydrophobicContact CG-CD1 4.16Å; L342-I346 WeakPolarHBondContact O-CG1 3.47Å; L342-I346 PolarHBondContact O-N 3.45Å; L342-I451 HydrophobicContact CD1-CG2 4.36Å; L342-I451 HydrophobicContact CD2-CG2 4.18Å
343	E	98	Very high	97.8	Very high	103 Å²	103	67.3 Å²	67.3	48%	0.481	32%	0.318	S	S	.	.	H	α-helix	trans	-56.7	-48.4	172.9	-173.8	169.7	-153.8	0	0	110.8	P338 Q339 E345 I346 E347	P338-E343 HydrophobicContact CB-CB 4.26Å; P338-E343 HydrophobicContact CG-CB 3.94Å; P338-E343 HydrophobicContact CG-CG 4.39Å; Q339-E343 PolarHBondContact O-N 3.4Å; E343-E345 VanDerWaalsContact C-N 3.34Å; E343-E345 PolarHBondContact O-N 3.47Å; E343-I346 WeakPolarHBondContact O-CB 3.2Å; E343-I346 PolarHBondContact O-N 3.26Å; E343-E347 WeakPolarHBondContact O-CG 3.31Å; E343-E347 PolarHBondContact O-N 3.06Å
344	K	98.2	Very high	97.7	Very high	121 Å²	121	65.5 Å²	65.5	53%	0.526	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-41.1	174.5	-175.5	179.2	172.5	-174.1	0	112.7	P340 L342 I346 E347 E348	P340-K344 WeakPolarHBondContact O-CB 3.27Å; P340-K344 PolarHBondContact O-N 3.01Å; P340-K344 VanDerWaalsContact O-N 3.15Å; L342-K344 VanDerWaalsContact C-N 3.32Å; L342-K344 PolarHBondContact O-N 2.95Å; K344-I346 VanDerWaalsContact C-N 3.35Å; K344-E347 PolarHBondContact O-N 2.98Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 HydrophobicContact CG-CG 4.48Å; K344-E348 IonicContact NZ-OE1 3.12Å; K344-E348 WeakPolarHBondContact O-CB 3.34Å; K344-E348 WeakPolarHBondContact O-CG 3.49Å; K344-E348 PolarHBondContact O-N 3.09Å
345	E	97.4	Very high	97.7	Very high	37 Å²	37	66.5 Å²	66.5	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-40.3	176.4	177.7	169.9	-153.3	0	0	112.2	W341 L342 E343 E348 A349 R448 L452	W341-E345 VanDerWaalsContact CZ3-OE2 3.28Å; W341-E345 WeakPolarHBondContact CZ3-OE2 3.46Å; W341-E345 PolarHBondContact O-N 2.69Å; L342-E345 PolarHBondContact O-N 2.78Å; E343-E345 VanDerWaalsContact C-N 3.34Å; E343-E345 PolarHBondContact O-N 3.47Å; E345-E348 PolarHBondContact O-N 3.42Å; E345-A349 WeakPolarHBondContact O-CB 3.34Å; E345-A349 PolarHBondContact O-N 3.09Å; E345-R448 IonicContact OE1-CZ 2.73Å; E345-R448 VanDerWaalsContact OE1-CZ 3.22Å; E345-R448 IonicContact OE1-NE 3.65Å; E345-R448 PolarHBondContact OE1-NE 2.83Å; E345-R448 IonicContact OE1-NH2 2.8Å; E345-R448 PolarHBondContact OE1-NH2 2.76Å; E345-R448 IonicContact OE2-CZ 3.01Å; E345-R448 IonicContact OE2-NE 2.63Å; E345-R448 PolarHBondContact OE2-NE 3.1Å; E345-R448 IonicContact OE2-NH2 3.23Å; E345-R448 PolarHBondContact OE2-NH2 3.26Å; E345-L452 HydrophobicContact CG-CD1 4.44Å
346	I	97.8	Very high	97.6	Very high	24 Å²	24	71 Å²	71	12%	0.123	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-46	175.4	-70.7	163.6	0	0	0	110.4	L342 E343 K344 A349 T350 L452 H455	L342-I346 HydrophobicContact CD1-CD1 4.5Å; L342-I346 HydrophobicContact CG-CD1 4.16Å; L342-I346 WeakPolarHBondContact O-CG1 3.47Å; L342-I346 PolarHBondContact O-N 3.45Å; E343-I346 WeakPolarHBondContact O-CB 3.2Å; E343-I346 PolarHBondContact O-N 3.26Å; K344-I346 VanDerWaalsContact C-N 3.35Å; I346-A349 PolarHBondContact O-N 3.21Å; I346-T350 WeakPolarHBondContact O-CB 3.47Å; I346-T350 PolarHBondContact O-N 3.47Å; I346-T350 PolarHBondContact O-OG1 2.87Å; I346-L452 HydrophobicContact CB-CD2 4.44Å; I346-L452 HydrophobicContact CG1-CD2 3.73Å; I346-H455 VanDerWaalsContact CG2-NE2 3.29Å; I346-H455 WeakPolarHBondContact CG2-NE2 3.37Å
347	E	97.3	Very high	97.6	Very high	123 Å²	123	73.7 Å²	73.7	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-61.3	-45.8	177.1	-69.4	178.1	175.8	0	0	112	E343 K344 T350 K351	E343-E347 WeakPolarHBondContact O-CG 3.31Å; E343-E347 PolarHBondContact O-N 3.06Å; K344-E347 PolarHBondContact O-N 2.98Å; E347-T350 WeakPolarHBondContact O-CB 3.39Å; E347-T350 PolarHBondContact O-N 3.5Å; E347-K351 PolarHBondContact O-N 3.41Å; E347-K351 VanDerWaalsContact O-N 3.12Å
348	E	97.4	Very high	97.5	Very high	112 Å²	112	71.6 Å²	71.6	52%	0.523	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-42.7	177.9	-74.1	179.4	175.4	0	0	111.7	K344 E345 K351 K352	K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 HydrophobicContact CG-CG 4.48Å; K344-E348 IonicContact NZ-OE1 3.12Å; K344-E348 WeakPolarHBondContact O-CB 3.34Å; K344-E348 WeakPolarHBondContact O-CG 3.49Å; K344-E348 PolarHBondContact O-N 3.09Å; E345-E348 PolarHBondContact O-N 3.42Å; E348-K351 PolarHBondContact O-N 3.46Å; E348-K352 VanDerWaalsContact O-CB 3.23Å; E348-K352 WeakPolarHBondContact O-CB 3.17Å; E348-K352 PolarHBondContact O-N 2.9Å
349	A	96.4	Very high	97.5	Very high	15 Å²	15	69.8 Å²	69.8	12%	0.124	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-43.1	176	0	0	0	0	0	111.4	E345 I346 K351 K352 L353 L452 F456	E345-A349 WeakPolarHBondContact O-CB 3.34Å; E345-A349 PolarHBondContact O-N 3.09Å; I346-A349 PolarHBondContact O-N 3.21Å; A349-K351 VanDerWaalsContact C-N 3.31Å; A349-K351 PolarHBondContact O-N 2.93Å; A349-K352 PolarHBondContact O-N 2.59Å; A349-L353 VanDerWaalsContact O-CB 3.28Å; A349-L353 WeakPolarHBondContact O-CB 3.48Å; A349-L353 VanDerWaalsContact O-CG 3.29Å; A349-L353 WeakPolarHBondContact O-CG 3.32Å; A349-L353 PolarHBondContact O-N 2.93Å; A349-L452 HydrophobicContact CB-CD2 4.15Å; A349-F456 HydrophobicContact CB-CE2 4.09Å; A349-F456 HydrophobicContact CB-CZ 3.93Å
350	T	96.8	Very high	97.6	Very high	43 Å²	43	67.9 Å²	67.9	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-55.9	-47.9	177	-59.2	0	0	0	0	110.5	I346 E347 G354 F355 F456	I346-T350 WeakPolarHBondContact O-CB 3.47Å; I346-T350 PolarHBondContact O-N 3.47Å; I346-T350 PolarHBondContact O-OG1 2.87Å; E347-T350 WeakPolarHBondContact O-CB 3.39Å; E347-T350 PolarHBondContact O-N 3.5Å; T350-G354 PolarHBondContact O-N 2.97Å; T350-F355 HydrophobicContact CG2-CB 4.22Å; T350-F355 PolarHBondContact O-N 3.39Å; T350-F355 VanDerWaalsContact O-N 3.11Å; T350-F456 HydrophobicContact CG2-CE1 4.48Å; T350-F456 WeakPolarHBondContact OG1-CE1 3.33Å
351	K	96.6	Very high	97.6	Very high	184 Å²	184	63.4 Å²	63.4	80%	0.8	30%	0.3	S	S	*	.	H	α-helix	trans	-67.7	-44.4	178.1	-171.6	-179	179.9	-179.9	0	112.3	E347 E348 A349 G354	E347-K351 PolarHBondContact O-N 3.41Å; E347-K351 VanDerWaalsContact O-N 3.12Å; E348-K351 PolarHBondContact O-N 3.46Å; A349-K351 VanDerWaalsContact C-N 3.31Å; A349-K351 PolarHBondContact O-N 2.93Å; K351-G354 PolarHBondContact O-N 2.74Å
352	K	96.6	Very high	97.6	Very high	171 Å²	171	58.6 Å²	58.6	74%	0.743	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-40.1	-176.9	-177.5	-175.7	175.3	-166.9	0	112.3	E348 A349 G354	E348-K352 VanDerWaalsContact O-CB 3.23Å; E348-K352 WeakPolarHBondContact O-CB 3.17Å; E348-K352 PolarHBondContact O-N 2.9Å; A349-K352 PolarHBondContact O-N 2.59Å; K352-G354 VanDerWaalsContact C-N 3.26Å
353	L	95.6	Very high	97.6	Very high	37 Å²	37	59 Å²	59	19%	0.194	28%	0.283	C	S	.	.	H	α-helix	trans	-78.3	-13.2	178.3	-66.6	175.2	0	0	0	112.5	A349 F355 Y405 I427 D429 F456	A349-L353 VanDerWaalsContact O-CB 3.28Å; A349-L353 WeakPolarHBondContact O-CB 3.48Å; A349-L353 VanDerWaalsContact O-CG 3.29Å; A349-L353 WeakPolarHBondContact O-CG 3.32Å; A349-L353 PolarHBondContact O-N 2.93Å; L353-F355 VanDerWaalsContact C-N 3.26Å; L353-F355 PolarHBondContact O-N 3.49Å; L353-Y405 HydrophobicContact CD1-CE2 4.33Å; L353-I427 HydrophobicContact CB-CG2 3.8Å; L353-D429 HydrophobicContact CD2-CB 4.37Å; L353-F456 HydrophobicContact CD1-CD2 4.25Å; L353-F456 HydrophobicContact CD1-CE2 3.74Å; L353-F456 HydrophobicContact CD1-CZ 4.12Å
354	G	97.1	Very high	97.6	Very high	34 Å²	34	54 Å²	54	35%	0.351	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	32.8	-175.3	0	0	0	0	0	112.3	T350 K351 K352 K356	T350-G354 PolarHBondContact O-N 2.97Å; K351-G354 PolarHBondContact O-N 2.74Å; K352-G354 VanDerWaalsContact C-N 3.26Å; G354-K356 PolarHBondContact O-N 2.83Å
355	F	97.9	Very high	97.2	Very high	24 Å²	24	50 Å²	50	11%	0.105	24%	0.242	C	C	.	.			trans	-63.6	121.9	-178.5	-173.1	-85.6	0	0	0	110.4	T350 L353 V359 Y405 F456 Q459	T350-F355 HydrophobicContact CG2-CB 4.22Å; T350-F355 PolarHBondContact O-N 3.39Å; T350-F355 VanDerWaalsContact O-N 3.11Å; L353-F355 VanDerWaalsContact C-N 3.26Å; L353-F355 PolarHBondContact O-N 3.49Å; F355-V359 HydrophobicContact CE1-CG1 4Å; F355-V359 HydrophobicContact CE2-CG1 3.95Å; F355-V359 HydrophobicContact CE2-CG2 4.17Å; F355-V359 HydrophobicContact CZ-CG1 3.52Å; F355-Y405 HydrophobicContact CD2-CD2 4.01Å; F355-Y405 HydrophobicContact CE2-CD2 4.09Å; F355-Y405 HydrophobicContact CE2-CG 4.22Å; F355-F456 HydrophobicContact CB-CD1 4.3Å; F355-F456 HydrophobicContact CB-CE1 4.15Å; F355-F456 HydrophobicContact CD1-CD1 4.22Å; F355-F456 HydrophobicContact CD2-CB 4.31Å; F355-F456 AromaticContact CD2-CD1 3.6Å; F355-F456 HydrophobicContact CD2-CD1 3.6Å; F355-F456 HydrophobicContact CD2-CE1 4.29Å; F355-F456 HydrophobicContact CD2-CG 4.21Å; F355-F456 HydrophobicContact CE1-CD1 4.47Å; F355-F456 HydrophobicContact CE2-CB 3.97Å; F355-F456 AromaticContact CE2-CD1 3.88Å; F355-F456 HydrophobicContact CE2-CD1 3.88Å; F355-F456 HydrophobicContact CE2-CG 4.32Å; F355-F456 AromaticContact CG-CD1 3.78Å; F355-F456 HydrophobicContact CG-CD1 3.78Å; F355-F456 HydrophobicContact CG-CE1 4.09Å; F355-F456 HydrophobicContact CZ-CD1 4.3Å; F355-Q459 HydrophobicContact CE1-CB 3.96Å; F355-Q459 HydrophobicContact CZ-CB 3.93Å
356	K	96.9	Very high	96.6	Very high	95 Å²	95	49.2 Å²	49.2	41%	0.413	24%	0.237	S	C	.	.			trans	-155.4	151.4	-178.1	59.5	179	157.7	159.3	0	111.6	G354 R403	G354-K356 PolarHBondContact O-N 2.83Å; K356-R403 VanDerWaalsContact CE-CZ 3.47Å; K356-R403 VanDerWaalsContact CE-NE 3.27Å; K356-R403 VanDerWaalsContact CE-NH2 3.32Å; K356-R403 WeakPolarHBondContact O-CD 3.3Å
357	H	98	Very high	95.8	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.435	25%	0.248	S	C	.	.	S	Bend	trans	-81.5	153.8	177.4	-61.7	-95.1	0	0	0	112.1	R403 Q459 D461	H357-R403 PolarHBondContact O-NH1 3.3Å; H357-Q459 PolarHBondContact CE1-O 2.96Å; H357-D461 IonicContact CE1-OD1 2.7Å; H357-D461 IonicContact CG-OD1 2.74Å; H357-D461 IonicContact CG-OD2 2.7Å; H357-D461 VanDerWaalsContact ND1-CG 3.33Å; H357-D461 IonicContact ND1-OD1 3.77Å; H357-D461 PolarHBondContact ND1-OD1 2.74Å; H357-D461 IonicContact ND1-OD2 3.6Å; H357-D461 PolarHBondContact ND1-OD2 3.48Å
358	P	98.3	Very high	94.8	Very high	12 Å²	12	47.8 Å²	47.8	8%	0.078	24%	0.236	C	C	.	.	S	Bend	cis	-74.8	139.4	-6.9	30.4	-34.3	0	0	0	112	F390 L393 M397 V399 D461	P358-F390 HydrophobicContact CB-CE1 4.43Å; P358-L393 HydrophobicContact CB-CD1 4.31Å; P358-M397 HydrophobicContact CB-SD 4.3Å; P358-V399 HydrophobicContact CG-CG1 4.33Å; P358-V399 HydrophobicContact CG-CG2 4.41Å; P358-D461 WeakPolarHBondContact CA-OD2 3.44Å
359	V	98.7	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.6	-179.1	59.3	0	0	0	0	110.8	F355 R403 A460 D461	F355-V359 HydrophobicContact CE1-CG1 4Å; F355-V359 HydrophobicContact CE2-CG1 3.95Å; F355-V359 HydrophobicContact CE2-CG2 4.17Å; F355-V359 HydrophobicContact CZ-CG1 3.52Å; V359-R403 WeakPolarHBondContact CA-O 3.29Å; V359-R403 HydrophobicContact CB-CB 4.01Å; V359-R403 HydrophobicContact CG2-CB 3.97Å; V359-A460 HydrophobicContact CG1-CB 4.48Å; V359-D461 PolarHBondContact N-OD2 2.77Å; V359-D461 PolarHBondContact O-N 2.87Å
360	I	98.9	Very high	92.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	173.9	-61.4	-176.6	0	0	0	109	V362 V386 H389 F390 R403 V404 Y405 F462 V464	I360-V362 HydrophobicContact CG2-CG2 4.45Å; I360-V386 HydrophobicContact CB-CG1 4.42Å; I360-V386 HydrophobicContact CD1-CG1 4.15Å; I360-V386 WeakPolarHBondContact CD1-O 3.44Å; I360-V386 HydrophobicContact CG2-CG1 4.45Å; I360-V386 HydrophobicContact CG2-CG2 4.03Å; I360-H389 HydrophobicContact CD1-CB 3.79Å; I360-F390 HydrophobicContact CB-CE2 4.24Å; I360-F390 HydrophobicContact CB-CZ 4.46Å; I360-F390 HydrophobicContact CD1-CD2 3.64Å; I360-F390 HydrophobicContact CD1-CE1 4.49Å; I360-F390 HydrophobicContact CD1-CE2 3.63Å; I360-F390 HydrophobicContact CD1-CG 4.08Å; I360-F390 HydrophobicContact CD1-CZ 4.06Å; I360-F390 HydrophobicContact CG1-CD2 4.32Å; I360-F390 HydrophobicContact CG1-CE1 4.43Å; I360-F390 HydrophobicContact CG1-CE2 3.8Å; I360-F390 HydrophobicContact CG1-CZ 3.85Å; I360-R403 PolarHBondContact N-O 2.91Å; I360-V404 CarbonylContact O-C 3.53Å; I360-V404 VanDerWaalsContact O-CA 3.3Å; I360-V404 WeakPolarHBondContact O-CA 3.41Å; I360-Y405 PolarHBondContact O-N 2.88Å; I360-F462 HydrophobicContact CG1-CB 4.22Å; I360-F462 HydrophobicContact CG2-CB 4.3Å; I360-F462 HydrophobicContact CG2-CD1 4.37Å; I360-V464 HydrophobicContact CG2-CG2 4.1Å
361	G	98.9	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.6	175.5	0	0	0	0	0	109.9	F462 L463 V464	G361-F462 PolarHBondContact N-O 3.21Å; G361-L463 CarbonylContact O-C 3.07Å; G361-L463 WeakPolarHBondContact O-CA 3.37Å; G361-V464 PolarHBondContact O-N 2.85Å
362	V	98.9	Very high	90.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.4	176.4	177.1	0	0	0	0	108.4	I360 V364 Y382 V386 V404 Y405 L406 A407 V464	I360-V362 HydrophobicContact CG2-CG2 4.45Å; V362-V364 HydrophobicContact CG1-CG2 3.9Å; V362-Y382 HydrophobicContact CG1-CD1 4Å; V362-Y382 HydrophobicContact CG1-CG 4.24Å; V362-V386 HydrophobicContact CG2-CG2 3.48Å; V362-V386 VanDerWaalsContact CG2-CG2 3.48Å; V362-V404 HydrophobicContact CB-CG1 3.87Å; V362-V404 HydrophobicContact CG2-CG1 3.56Å; V362-Y405 PolarHBondContact N-O 3.28Å; V362-L406 HydrophobicContact CB-CD1 4.25Å; V362-L406 HydrophobicContact CG1-CD1 3.95Å; V362-A407 PolarHBondContact O-N 3.42Å; V362-V464 WeakPolarHBondContact CA-O 3.33Å; V362-V464 HydrophobicContact CG2-CB 4.41Å
363	H	98.6	Very high	89.5	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.2	176.4	168.5	-95.3	0	0	0	110.6	Y382 A407 L457 V464 C465 S469	H363-Y382 WeakPolarHBondContact O-CE1 2.96Å; H363-A407 WeakPolarHBondContact CA-O 3.49Å; H363-A407 HydrophobicContact CB-CB 4.49Å; H363-L457 HydrophobicContact CB-CD1 3.81Å; H363-L457 HydrophobicContact CB-CD2 4.02Å; H363-V464 PolarHBondContact N-O 3.24Å; H363-V464 VanDerWaalsContact N-O 3.07Å; H363-C465 HydrophobicContact CB-CB 3.95Å; H363-S469 PolarHBondContact CE1-OG 3.43Å; H363-S469 VanDerWaalsContact CE1-OG 3.23Å
364	V	97.3	Very high	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.1	-179.5	179.7	0	0	0	0	108.9	V362 R366 I379 Y382 L406 A407 T408 L413	V362-V364 HydrophobicContact CG1-CG2 3.9Å; V364-R366 HydrophobicContact CG1-CG 4.1Å; V364-I379 HydrophobicContact CG2-CD1 4.22Å; V364-Y382 HydrophobicContact CG1-CE2 4.23Å; V364-Y382 HydrophobicContact CG2-CD1 4.01Å; V364-Y382 HydrophobicContact CG2-CD2 4.04Å; V364-Y382 HydrophobicContact CG2-CE1 3.84Å; V364-Y382 HydrophobicContact CG2-CE2 3.89Å; V364-Y382 HydrophobicContact CG2-CG 4.12Å; V364-L406 HydrophobicContact CG2-CD1 4.17Å; V364-A407 PolarHBondContact N-O 2.57Å; V364-T408 WeakPolarHBondContact O-CA 3.45Å; V364-T408 PolarHBondContact O-OG1 3.08Å; V364-L413 HydrophobicContact CB-CD2 3.58Å; V364-L413 HydrophobicContact CG1-CD2 3.56Å; V364-L413 HydrophobicContact CG2-CD2 3.84Å
365	R	89.8	Confident	88	Confident	37 Å²	37	40 Å²	40	14%	0.14	23%	0.233	C	C	.	.			trans	-101.7	119	177.8	-172.9	63.9	169.5	83.3	5.7	110.3	T367 D368 K369 D409	R365-T367 PolarHBondContact NH1-OG1 2.88Å; R365-D368 IonicContact CZ-OD1 2.76Å; R365-D368 VanDerWaalsContact CZ-OD1 3.23Å; R365-D368 IonicContact NH1-OD1 3.98Å; R365-D368 PolarHBondContact NH1-OD1 3.27Å; R365-D368 IonicContact NH2-OD1 2.95Å; R365-D368 PolarHBondContact NH2-OD1 3.29Å; R365-D368 IonicContact NH2-OD2 3.5Å; R365-D368 PolarHBondContact NH2-OD2 3.45Å; R365-K369 HydrophobicContact CG-CB 3.81Å; R365-K369 HydrophobicContact CG-CG 3.97Å; R365-D409 IonicContact CZ-OD2 2.79Å; R365-D409 IonicContact NE-OD2 3.47Å; R365-D409 IonicContact NH1-OD2 3.84Å; R365-D409 PolarHBondContact NH1-OD2 2.93Å
366	R	85.4	Confident	87.6	Confident	20 Å²	20	44.2 Å²	44.2	8%	0.075	25%	0.251	C	S	.	.			trans	-117.4	-109.3	176.9	-66.1	177.2	174.5	-178.8	-0.6	110.4	V364 D368 K369 V370 F376 D409 D410	V364-R366 HydrophobicContact CG1-CG 4.1Å; R366-D368 PolarHBondContact O-N 2.9Å; R366-K369 VanDerWaalsContact O-CB 3.31Å; R366-K369 WeakPolarHBondContact O-CB 3.45Å; R366-K369 PolarHBondContact O-N 3.39Å; R366-V370 HydrophobicContact CB-CG2 4.38Å; R366-V370 PolarHBondContact O-N 3.07Å; R366-F376 HydrophobicContact CG-CD2 4.38Å; R366-F376 HydrophobicContact CG-CE2 4.29Å; R366-D409 PolarHBondContact N-OD1 3.24Å; R366-D410 HydrophobicContact CB-CB 4.48Å; R366-D410 VanDerWaalsContact CD-OD2 3.25Å; R366-D410 WeakPolarHBondContact CD-OD2 3.42Å; R366-D410 IonicContact CZ-OD2 2.74Å; R366-D410 IonicContact NE-OD2 3.52Å; R366-D410 IonicContact NH1-OD2 2.7Å; R366-D410 PolarHBondContact NH1-OD2 3.5Å
367	T	79.5	Confident	87.5	Confident	57 Å²	57	40.8 Å²	40.8	35%	0.35	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	22	-116.9	-175	69.5	0	0	0	0	115.4	R365 K369 D409 R441	R365-T367 PolarHBondContact NH1-OG1 2.88Å; T367-K369 PolarHBondContact O-N 2.81Å; T367-D409 WeakPolarHBondContact CB-OD2 3.29Å; T367-D409 HydrophobicContact CG2-CB 4.19Å; T367-D409 WeakPolarHBondContact CG2-OD2 3.5Å; T367-D409 PolarHBondContact N-OD2 3.06Å; T367-D409 PolarHBondContact OG1-OD2 3Å; T367-R441 PolarHBondContact OG1-NH2 2.82Å; T367-R441 VanDerWaalsContact OG1-NH2 3.1Å
368	D	76.8	Confident	87.4	Confident	59 Å²	59	38.8 Å²	38.8	32%	0.316	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-73.2	-8.2	-175.3	59.9	-48.7	0	0	0	115	R365 R366 T372 L438 R441	R365-D368 IonicContact CZ-OD1 2.76Å; R365-D368 VanDerWaalsContact CZ-OD1 3.23Å; R365-D368 IonicContact NH1-OD1 3.98Å; R365-D368 PolarHBondContact NH1-OD1 3.27Å; R365-D368 IonicContact NH2-OD1 2.95Å; R365-D368 PolarHBondContact NH2-OD1 3.29Å; R365-D368 IonicContact NH2-OD2 3.5Å; R365-D368 PolarHBondContact NH2-OD2 3.45Å; R366-D368 PolarHBondContact O-N 2.9Å; D368-T372 PolarHBondContact O-OG1 2.65Å; D368-L438 HydrophobicContact CB-CD2 4.13Å; D368-R441 IonicContact OD1-CZ 3.04Å; D368-R441 IonicContact OD1-NH1 3.34Å; D368-R441 PolarHBondContact OD1-NH1 3.01Å; D368-R441 IonicContact OD1-NH2 3.83Å; D368-R441 PolarHBondContact OD1-NH2 3.29Å; D368-R441 IonicContact OD2-CZ 2.99Å; D368-R441 IonicContact OD2-NH1 2.77Å; D368-R441 PolarHBondContact OD2-NH1 3.17Å; D368-R441 IonicContact OD2-NH2 3.07Å
369	K	73.8	Confident	87.3	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.03	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-82.9	-31.9	-178.5	-150.8	75.3	178.1	176.2	0	112.1	R365 R366 T367 G371 T372 E373 A374	R365-K369 HydrophobicContact CG-CB 3.81Å; R365-K369 HydrophobicContact CG-CG 3.97Å; R366-K369 VanDerWaalsContact O-CB 3.31Å; R366-K369 WeakPolarHBondContact O-CB 3.45Å; R366-K369 PolarHBondContact O-N 3.39Å; T367-K369 PolarHBondContact O-N 2.81Å; K369-G371 PolarHBondContact O-N 2.75Å; K369-T372 PolarHBondContact O-N 2.9Å; K369-T372 PolarHBondContact O-OG1 3.07Å; K369-E373 HydrophobicContact CD-CB 3.86Å; K369-E373 VanDerWaalsContact CE-CB 3.45Å; K369-E373 WeakPolarHBondContact CE-OE2 3.41Å; K369-E373 HydrophobicContact CG-CB 4.18Å; K369-E373 IonicContact NZ-OE1 3.8Å; K369-E373 PolarHBondContact NZ-OE1 2.83Å; K369-E373 IonicContact NZ-OE2 3.94Å; K369-E373 PolarHBondContact NZ-OE2 2.96Å; K369-E373 PolarHBondContact O-N 2.91Å; K369-E373 VanDerWaalsContact O-N 3.14Å; K369-A374 HydrophobicContact CG-CB 3.88Å; K369-A374 PolarHBondContact O-N 3.35Å
370	V	77.9	Confident	87.3	Confident	54 Å²	54	41.6 Å²	41.6	33%	0.327	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-68.6	122.6	-178.3	176	0	0	0	0	109.7	R366 A374 F376	R366-V370 HydrophobicContact CB-CG2 4.38Å; R366-V370 PolarHBondContact O-N 3.07Å; V370-A374 WeakPolarHBondContact CA-O 3.25Å; V370-F376 HydrophobicContact CG1-CB 3.86Å; V370-F376 HydrophobicContact CG2-CB 4.23Å; V370-F376 HydrophobicContact CG2-CD2 4.43Å
371	G	72.3	Confident	87.3	Confident	74 Å²	74	44.8 Å²	44.8	76%	0.763	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-1.4	176.8	0	0	0	0	0	115.2	K369 A374	K369-G371 PolarHBondContact O-N 2.75Å; G371-A374 PolarHBondContact N-O 2.67Å
372	T	77.6	Confident	87.3	Confident	106 Å²	106	44.9 Å²	44.9	65%	0.65	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-57	174.9	55.4	0	0	0	0	111.4	D368 K369	D368-T372 PolarHBondContact O-OG1 2.65Å; K369-T372 PolarHBondContact O-N 2.9Å; K369-T372 PolarHBondContact O-OG1 3.07Å
373	E	71.2	Confident	87.3	Confident	117 Å²	117	45 Å²	45	55%	0.547	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-16.7	-173	-67.2	-173.6	-106.9	0	0	113.3	K369	K369-E373 HydrophobicContact CD-CB 3.86Å; K369-E373 VanDerWaalsContact CE-CB 3.45Å; K369-E373 WeakPolarHBondContact CE-OE2 3.41Å; K369-E373 HydrophobicContact CG-CB 4.18Å; K369-E373 IonicContact NZ-OE1 3.8Å; K369-E373 PolarHBondContact NZ-OE1 2.83Å; K369-E373 IonicContact NZ-OE2 3.94Å; K369-E373 PolarHBondContact NZ-OE2 2.96Å; K369-E373 PolarHBondContact O-N 2.91Å; K369-E373 VanDerWaalsContact O-N 3.14Å
374	A	77.9	Confident	87.3	Confident	17 Å²	17	48.9 Å²	48.9	14%	0.14	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-149.4	165.2	178.4	0	0	0	0	0	112.2	K369 V370 G371	K369-A374 HydrophobicContact CG-CB 3.88Å; K369-A374 PolarHBondContact O-N 3.35Å; V370-A374 WeakPolarHBondContact CA-O 3.25Å; G371-A374 PolarHBondContact N-O 2.67Å
375	A	83.1	Confident	87.3	Confident	57 Å²	57	50.6 Å²	50.6	47%	0.471	29%	0.292	S	S	.	.			trans	-84.3	161.4	172.4	0	0	0	0	0	111.7	H377	A375-H377 PolarHBondContact O-CD2 3.39Å
376	F	90.7	Very high	87.8	Confident	114 Å²	114	48.9 Å²	48.9	50%	0.5	29%	0.285	S	S	.	.			trans	-78.1	128.2	166.6	176.8	-87.5	0	0	0	109.1	R366 V370 P378	R366-F376 HydrophobicContact CG-CD2 4.38Å; R366-F376 HydrophobicContact CG-CE2 4.29Å; V370-F376 HydrophobicContact CG1-CB 3.86Å; V370-F376 HydrophobicContact CG2-CB 4.23Å; V370-F376 HydrophobicContact CG2-CD2 4.43Å; F376-P378 HydrophobicContact CE1-CB 4.29Å
377	H	93.5	Very high	88.4	Confident	23 Å²	23	50.5 Å²	50.5	11%	0.106	29%	0.294	C	S	.	.			trans	-116	125.2	174.3	-65.8	-88.1	0	0	0	109.6	A375 E381 Y382 L493	A375-H377 PolarHBondContact O-CD2 3.39Å; H377-E381 WeakPolarHBondContact CB-OE2 3.32Å; H377-E381 IonicContact CE1-OE1 3.9Å; H377-E381 IonicContact CE1-OE2 2.72Å; H377-E381 IonicContact CG-OE2 3.6Å; H377-E381 IonicContact ND1-OE1 2.7Å; H377-E381 PolarHBondContact ND1-OE1 3.36Å; H377-E381 IonicContact ND1-OE2 3.77Å; H377-E381 PolarHBondContact ND1-OE2 3.04Å; H377-Y382 HydrophobicContact CB-CE2 3.5Å; H377-Y382 VanDerWaalsContact CB-CE2 3.5Å; H377-L493 HydrophobicContact CB-CD1 3.97Å
378	P	95.9	Very high	89.3	Confident	51 Å²	51	51.8 Å²	51.8	33%	0.331	30%	0.296	S	S	.	.			trans	-68	156.4	175	31	-35.6	0	0	0	110.9	F376 E380 E381 Y382	F376-P378 HydrophobicContact CE1-CB 4.29Å; P378-E380 WeakPolarHBondContact CB-OE2 3.3Å; P378-E380 PolarHBondContact O-N 3.32Å; P378-E381 HydrophobicContact CG-CB 4.33Å; P378-E381 WeakPolarHBondContact O-CB 3.36Å; P378-E381 PolarHBondContact O-N 3.47Å; P378-E381 VanDerWaalsContact O-N 3.17Å; P378-Y382 VanDerWaalsContact O-CD2 3.28Å; P378-Y382 WeakPolarHBondContact O-CD2 3.32Å
379	I	97.8	Very high	90.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-28.5	-176.5	-172.5	57.5	0	0	0	112.4	V364 E381 Y382 M383 L413 A417 K420 Y421	V364-I379 HydrophobicContact CG2-CD1 4.22Å; I379-E381 VanDerWaalsContact C-N 3.27Å; I379-E381 PolarHBondContact O-N 3.04Å; I379-Y382 PolarHBondContact O-N 3.02Å; I379-M383 HydrophobicContact CD1-CG 4.24Å; I379-M383 HydrophobicContact CG1-CG 4.01Å; I379-M383 VanDerWaalsContact O-CG 3.3Å; I379-M383 WeakPolarHBondContact O-CG 3.42Å; I379-M383 PolarHBondContact O-N 3.42Å; I379-L413 HydrophobicContact CB-CD1 4.05Å; I379-L413 HydrophobicContact CD1-CD1 4.4Å; I379-L413 HydrophobicContact CG1-CD1 4.33Å; I379-A417 HydrophobicContact CG1-CB 4.33Å; I379-K420 HydrophobicContact CG2-CD 4.02Å; I379-Y421 HydrophobicContact CG1-CE2 4.41Å; I379-Y421 HydrophobicContact CG2-CE2 4.31Å
380	E	98.4	Very high	91.5	Very high	72 Å²	72	49.6 Å²	49.6	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-56.9	-40.4	177.1	-69.2	78	177.4	0	0	112.5	P378 Y382 M383 V384 K420 Y421	P378-E380 WeakPolarHBondContact CB-OE2 3.3Å; P378-E380 PolarHBondContact O-N 3.32Å; E380-Y382 PolarHBondContact O-N 3.15Å; E380-M383 PolarHBondContact O-N 3.04Å; E380-V384 WeakPolarHBondContact O-CG2 3.48Å; E380-V384 PolarHBondContact O-N 3.46Å; E380-K420 WeakPolarHBondContact OE1-CD 3.33Å; E380-K420 VanDerWaalsContact OE1-CE 3.26Å; E380-K420 WeakPolarHBondContact OE1-CE 3.27Å; E380-K420 IonicContact OE1-NZ 3.88Å; E380-K420 PolarHBondContact OE1-NZ 3.07Å; E380-K420 IonicContact OE2-NZ 3.46Å; E380-Y421 WeakPolarHBondContact CA-OH 3.31Å
381	E	98	Very high	92.5	Very high	67 Å²	67	50.1 Å²	50.1	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-44.4	-178.8	-165.2	179.2	169.3	0	0	111	H377 P378 I379 H385 L493	H377-E381 WeakPolarHBondContact CB-OE2 3.32Å; H377-E381 IonicContact CE1-OE1 3.9Å; H377-E381 IonicContact CE1-OE2 2.72Å; H377-E381 IonicContact CG-OE2 3.6Å; H377-E381 IonicContact ND1-OE1 2.7Å; H377-E381 PolarHBondContact ND1-OE1 3.36Å; H377-E381 IonicContact ND1-OE2 3.77Å; H377-E381 PolarHBondContact ND1-OE2 3.04Å; P378-E381 HydrophobicContact CG-CB 4.33Å; P378-E381 WeakPolarHBondContact O-CB 3.36Å; P378-E381 PolarHBondContact O-N 3.47Å; P378-E381 VanDerWaalsContact O-N 3.17Å; I379-E381 VanDerWaalsContact C-N 3.27Å; I379-E381 PolarHBondContact O-N 3.04Å; E381-H385 PolarHBondContact O-CD2 2.93Å; E381-L493 HydrophobicContact CB-CD1 4.27Å; E381-L493 HydrophobicContact CG-CD1 3.96Å; E381-L493 HydrophobicContact CG-CD2 4.01Å
382	Y	98.7	Very high	93.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-45	173.5	-59.6	-100.5	0	0	0	111.3	V362 H363 V364 H377 P378 I379 E380 V384 H385 V386 V464 L493	V362-Y382 HydrophobicContact CG1-CD1 4Å; V362-Y382 HydrophobicContact CG1-CG 4.24Å; H363-Y382 WeakPolarHBondContact O-CE1 2.96Å; V364-Y382 HydrophobicContact CG1-CE2 4.23Å; V364-Y382 HydrophobicContact CG2-CD1 4.01Å; V364-Y382 HydrophobicContact CG2-CD2 4.04Å; V364-Y382 HydrophobicContact CG2-CE1 3.84Å; V364-Y382 HydrophobicContact CG2-CE2 3.89Å; V364-Y382 HydrophobicContact CG2-CG 4.12Å; H377-Y382 HydrophobicContact CB-CE2 3.5Å; H377-Y382 VanDerWaalsContact CB-CE2 3.5Å; P378-Y382 VanDerWaalsContact O-CD2 3.28Å; P378-Y382 WeakPolarHBondContact O-CD2 3.32Å; I379-Y382 PolarHBondContact O-N 3.02Å; E380-Y382 PolarHBondContact O-N 3.15Å; Y382-V384 VanDerWaalsContact C-N 3.3Å; Y382-V384 PolarHBondContact O-N 3.41Å; Y382-H385 PolarHBondContact O-N 3.21Å; Y382-V386 WeakPolarHBondContact O-CG2 3.41Å; Y382-V386 PolarHBondContact O-N 2.92Å; Y382-V386 VanDerWaalsContact O-N 3.15Å; Y382-V464 HydrophobicContact CD1-CG1 4.08Å; Y382-L493 HydrophobicContact CD1-CD1 3.74Å; Y382-L493 HydrophobicContact CD1-CG 4.5Å; Y382-L493 HydrophobicContact CD2-CD1 3.81Å; Y382-L493 HydrophobicContact CE1-CD1 3.55Å; Y382-L493 HydrophobicContact CE1-CG 4.39Å; Y382-L493 HydrophobicContact CE2-CD1 3.62Å; Y382-L493 HydrophobicContact CG-CD1 3.85Å; Y382-L493 VanDerWaalsContact CZ-CD1 3.47Å
383	M	98.6	Very high	94.7	Very high	3 Å²	3	43 Å²	43	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-72	-21	-170.8	-71	-60.1	-56.4	0	0	113.9	I379 E380 V386 E387 V404 Y421 Y424 F426	I379-M383 HydrophobicContact CD1-CG 4.24Å; I379-M383 HydrophobicContact CG1-CG 4.01Å; I379-M383 VanDerWaalsContact O-CG 3.3Å; I379-M383 WeakPolarHBondContact O-CG 3.42Å; I379-M383 PolarHBondContact O-N 3.42Å; E380-M383 PolarHBondContact O-N 3.04Å; M383-V386 HydrophobicContact CE-CB 4.19Å; M383-V386 HydrophobicContact CE-CG1 3.87Å; M383-V386 HydrophobicContact SD-CB 4.15Å; M383-V386 HydrophobicContact SD-CG1 4.21Å; M383-V386 HydrophobicContact SD-CG2 4.04Å; M383-E387 WeakPolarHBondContact O-CB 3.32Å; M383-E387 PolarHBondContact O-N 3.4Å; M383-V404 HydrophobicContact CE-CG2 4.41Å; M383-Y421 HydrophobicContact CB-CD1 4.46Å; M383-Y421 HydrophobicContact CB-CE1 3.75Å; M383-Y421 HydrophobicContact CB-CE2 3.98Å; M383-Y421 VanDerWaalsContact CB-CZ 3.48Å; M383-Y421 HydrophobicContact CE-CD1 4.04Å; M383-Y421 HydrophobicContact CE-CD2 4.43Å; M383-Y421 HydrophobicContact CE-CE1 4.41Å; M383-Y421 HydrophobicContact CE-CG 4.06Å; M383-Y421 HydrophobicContact CG-CD2 4.01Å; M383-Y421 HydrophobicContact CG-CE1 4.14Å; M383-Y421 HydrophobicContact CG-CE2 3.6Å; M383-Y421 HydrophobicContact CG-CG 4.46Å; M383-Y424 HydrophobicContact CE-CD1 3.9Å; M383-Y424 HydrophobicContact CE-CD2 4.1Å; M383-Y424 HydrophobicContact CE-CE1 3.7Å; M383-Y424 HydrophobicContact CE-CE2 3.94Å; M383-Y424 HydrophobicContact CE-CG 4.07Å; M383-F426 HydrophobicContact CE-CZ 4.26Å; M383-F426 HydrophobicContact SD-CE1 4.31Å; M383-F426 HydrophobicContact SD-CZ 4.27Å
384	V	98.4	Very high	96	Very high	90 Å²	90	40.3 Å²	40.3	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-60	-49.5	169.7	169.5	0	0	0	0	110.2	E380 Y382 E387 E388	E380-V384 WeakPolarHBondContact O-CG2 3.48Å; E380-V384 PolarHBondContact O-N 3.46Å; Y382-V384 VanDerWaalsContact C-N 3.3Å; Y382-V384 PolarHBondContact O-N 3.41Å; V384-E387 PolarHBondContact O-N 2.97Å; V384-E388 WeakPolarHBondContact O-CB 3.48Å; V384-E388 PolarHBondContact O-N 3.27Å
385	H	98.6	Very high	96.9	Very high	37 Å²	37	44.5 Å²	44.5	17%	0.171	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-33.8	-179.9	-55.7	-64.5	0	0	0	112.6	E381 Y382 H389 V464 H491	E381-H385 PolarHBondContact O-CD2 2.93Å; Y382-H385 PolarHBondContact O-N 3.21Å; H385-H389 WeakPolarHBondContact O-CB 3.37Å; H385-H389 PolarHBondContact O-N 3.31Å; H385-V464 HydrophobicContact CB-CG1 4.12Å; H385-V464 HydrophobicContact CB-CG2 4.14Å; H385-H491 HydrophobicContact CB-CB 4.28Å; H385-H491 AromaticContact CD2-CD2 3.42Å; H385-H491 PolarHBondContact CD2-CD2 3.18Å; H385-H491 VanDerWaalsContact CD2-CD2 3.42Å; H385-H491 AromaticContact CD2-NE2 3.81Å; H385-H491 AromaticContact CE1-CD2 3.49Å; H385-H491 PolarHBondContact CE1-CD2 2.83Å; H385-H491 VanDerWaalsContact CE1-CD2 3.49Å; H385-H491 AromaticContact CE1-CE1 3.62Å; H385-H491 AromaticContact CE1-NE2 3.07Å; H385-H491 PolarHBondContact CE1-NE2 3.49Å; H385-H491 AromaticContact CG-CD2 3.42Å; H385-H491 VanDerWaalsContact CG-CD2 3.42Å; H385-H491 AromaticContact CG-CG 3.81Å; H385-H491 AromaticContact CG-NE2 3.86Å; H385-H491 AromaticContact ND1-CD2 3.48Å; H385-H491 PolarHBondContact ND1-CD2 3.02Å; H385-H491 AromaticContact ND1-CE1 3.71Å; H385-H491 AromaticContact ND1-CG 3.81Å; H385-H491 AromaticContact ND1-ND1 3.94Å; H385-H491 AromaticContact ND1-NE2 3.43Å; H385-H491 PolarHBondContact ND1-NE2 3.09Å; H385-H491 AromaticContact NE2-CD2 3.49Å; H385-H491 PolarHBondContact NE2-CD2 2.82Å; H385-H491 AromaticContact NE2-NE2 3.34Å; H385-H491 PolarHBondContact NE2-NE2 3.23Å
386	V	98.8	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-48.8	172.3	173.1	0	0	0	0	110.7	I360 V362 Y382 M383 H389 F390 V404 Y424 V464	I360-V386 HydrophobicContact CB-CG1 4.42Å; I360-V386 HydrophobicContact CD1-CG1 4.15Å; I360-V386 WeakPolarHBondContact CD1-O 3.44Å; I360-V386 HydrophobicContact CG2-CG1 4.45Å; I360-V386 HydrophobicContact CG2-CG2 4.03Å; V362-V386 HydrophobicContact CG2-CG2 3.48Å; V362-V386 VanDerWaalsContact CG2-CG2 3.48Å; Y382-V386 WeakPolarHBondContact O-CG2 3.41Å; Y382-V386 PolarHBondContact O-N 2.92Å; Y382-V386 VanDerWaalsContact O-N 3.15Å; M383-V386 HydrophobicContact CE-CB 4.19Å; M383-V386 HydrophobicContact CE-CG1 3.87Å; M383-V386 HydrophobicContact SD-CB 4.15Å; M383-V386 HydrophobicContact SD-CG1 4.21Å; M383-V386 HydrophobicContact SD-CG2 4.04Å; V386-H389 PolarHBondContact O-N 3.43Å; V386-F390 HydrophobicContact CG1-CD2 3.84Å; V386-F390 HydrophobicContact CG1-CE2 3.88Å; V386-F390 WeakPolarHBondContact O-CD2 3.34Å; V386-F390 PolarHBondContact O-N 3.47Å; V386-V404 HydrophobicContact CG1-CG2 3.71Å; V386-Y424 HydrophobicContact CG1-CE1 3.71Å; V386-V464 HydrophobicContact CG2-CB 4.33Å; V386-V464 HydrophobicContact CG2-CG2 3.95Å
387	E	98.6	Very high	97.8	Very high	54 Å²	54	43.5 Å²	43.5	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-46.4	179.1	176.6	61.3	-142.7	0	0	111.3	M383 V384 H389 F390 Q391 K402 Y424	M383-E387 WeakPolarHBondContact O-CB 3.32Å; M383-E387 PolarHBondContact O-N 3.4Å; V384-E387 PolarHBondContact O-N 2.97Å; E387-H389 VanDerWaalsContact C-N 3.31Å; E387-H389 PolarHBondContact O-N 2.98Å; E387-F390 PolarHBondContact O-N 2.95Å; E387-Q391 WeakPolarHBondContact O-CG 3.31Å; E387-Q391 PolarHBondContact O-N 3.27Å; E387-Q391 PolarHBondContact OE1-NE2 2.97Å; E387-K402 IonicContact OE1-NZ 3.9Å; E387-K402 PolarHBondContact OE1-NZ 2.79Å; E387-K402 IonicContact OE2-NZ 3.85Å; E387-K402 PolarHBondContact OE2-NZ 3.42Å; E387-Y424 VanDerWaalsContact CA-OH 3.31Å; E387-Y424 WeakPolarHBondContact CA-OH 3.25Å; E387-Y424 WeakPolarHBondContact CB-OH 3.41Å; E387-Y424 PolarHBondContact OE2-OH 2.7Å
388	E	98.3	Very high	98	Very high	84 Å²	84	50.8 Å²	50.8	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-43.8	177.4	179.1	162	-137.4	0	0	112	R161 V384 Q391 L392	R161-E388 IonicContact NH1-OE1 3.67Å; R161-E388 PolarHBondContact NH1-OE1 3.02Å; V384-E388 WeakPolarHBondContact O-CB 3.48Å; V384-E388 PolarHBondContact O-N 3.27Å; E388-Q391 WeakPolarHBondContact O-CB 3.31Å; E388-Q391 PolarHBondContact O-N 3.41Å; E388-L392 PolarHBondContact O-N 3Å
389	H	98.6	Very high	98.1	Very high	19 Å²	19	50.1 Å²	50.1	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-36.8	178.3	-162.6	84.3	0	0	0	112.3	I360 H385 V386 E387 Q391 L392 L393 F462	I360-H389 HydrophobicContact CD1-CB 3.79Å; H385-H389 WeakPolarHBondContact O-CB 3.37Å; H385-H389 PolarHBondContact O-N 3.31Å; V386-H389 PolarHBondContact O-N 3.43Å; E387-H389 VanDerWaalsContact C-N 3.31Å; E387-H389 PolarHBondContact O-N 2.98Å; H389-Q391 VanDerWaalsContact C-N 3.29Å; H389-Q391 PolarHBondContact O-N 3.38Å; H389-L392 WeakPolarHBondContact O-CB 3.4Å; H389-L392 PolarHBondContact O-N 3.42Å; H389-L392 VanDerWaalsContact O-N 3.12Å; H389-L393 WeakPolarHBondContact O-CG 3.37Å; H389-L393 PolarHBondContact O-N 3.47Å; H389-F462 HydrophobicContact CB-CD1 4.1Å; H389-F462 HydrophobicContact CB-CE1 4.33Å; H389-F462 HydrophobicContact CB-CG 4.49Å; H389-F462 AromaticContact CD2-CG 3.7Å; H389-F462 AromaticContact CE1-CD2 3.19Å; H389-F462 WeakPolarHBondContact CE1-CD2 3.34Å; H389-F462 AromaticContact CE1-CE2 3.61Å; H389-F462 AromaticContact CE1-CG 3.6Å; H389-F462 AromaticContact CG-CD1 3.76Å; H389-F462 AromaticContact CG-CG 3.67Å; H389-F462 AromaticContact ND1-CD1 3.88Å; H389-F462 AromaticContact ND1-CD2 3.45Å; H389-F462 WeakPolarHBondContact ND1-CD2 3.27Å; H389-F462 AromaticContact ND1-CE1 3.97Å; H389-F462 AromaticContact ND1-CE2 3.56Å; H389-F462 AromaticContact ND1-CG 3.62Å; H389-F462 AromaticContact ND1-CZ 3.81Å; H389-F462 AromaticContact NE2-CD2 3.66Å; H389-F462 AromaticContact NE2-CG 3.69Å
390	F	98.7	Very high	98	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-35.7	171.4	-90.5	-59.4	0	0	0	112.6	P358 I360 V386 E387 L392 L393 A394 V399 K402 R403 Y424	P358-F390 HydrophobicContact CB-CE1 4.43Å; I360-F390 HydrophobicContact CB-CE2 4.24Å; I360-F390 HydrophobicContact CB-CZ 4.46Å; I360-F390 HydrophobicContact CD1-CD2 3.64Å; I360-F390 HydrophobicContact CD1-CE1 4.49Å; I360-F390 HydrophobicContact CD1-CE2 3.63Å; I360-F390 HydrophobicContact CD1-CG 4.08Å; I360-F390 HydrophobicContact CD1-CZ 4.06Å; I360-F390 HydrophobicContact CG1-CD2 4.32Å; I360-F390 HydrophobicContact CG1-CE1 4.43Å; I360-F390 HydrophobicContact CG1-CE2 3.8Å; I360-F390 HydrophobicContact CG1-CZ 3.85Å; V386-F390 HydrophobicContact CG1-CD2 3.84Å; V386-F390 HydrophobicContact CG1-CE2 3.88Å; V386-F390 WeakPolarHBondContact O-CD2 3.34Å; V386-F390 PolarHBondContact O-N 3.47Å; E387-F390 PolarHBondContact O-N 2.95Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L393 HydrophobicContact CD1-CD1 4.22Å; F390-L393 HydrophobicContact CE1-CD1 4.36Å; F390-L393 PolarHBondContact O-N 3.36Å; F390-A394 WeakPolarHBondContact O-CB 3.36Å; F390-A394 PolarHBondContact O-N 2.91Å; F390-V399 HydrophobicContact CD1-CG1 3.89Å; F390-V399 HydrophobicContact CD1-CG2 4.46Å; F390-V399 HydrophobicContact CE1-CG1 4.14Å; F390-K402 HydrophobicContact CB-CD 4.27Å; F390-K402 HydrophobicContact CB-CG 4.34Å; F390-K402 HydrophobicContact CD1-CB 4.4Å; F390-K402 HydrophobicContact CD1-CG 4.1Å; F390-K402 HydrophobicContact CD2-CB 3.96Å; F390-K402 HydrophobicContact CD2-CD 4.32Å; F390-K402 HydrophobicContact CD2-CG 4.09Å; F390-K402 HydrophobicContact CE1-CB 4.34Å; F390-K402 HydrophobicContact CE1-CG 4.48Å; F390-K402 HydrophobicContact CE2-CB 3.88Å; F390-K402 HydrophobicContact CE2-CG 4.46Å; F390-K402 HydrophobicContact CG-CB 4.24Å; F390-K402 HydrophobicContact CG-CD 4.25Å; F390-K402 HydrophobicContact CG-CG 3.91Å; F390-K402 HydrophobicContact CZ-CB 4.1Å; F390-R403 VanDerWaalsContact CZ-O 3.23Å; F390-R403 WeakPolarHBondContact CZ-O 3.25Å; F390-Y424 AromaticContact CD2-CE1 3.74Å; F390-Y424 HydrophobicContact CD2-CE1 3.74Å; F390-Y424 HydrophobicContact CE2-CD1 4.42Å; F390-Y424 AromaticContact CE2-CE1 3.82Å; F390-Y424 HydrophobicContact CE2-CE1 3.82Å
391	Q	98.4	Very high	98	Very high	65 Å²	65	55.2 Å²	55.2	30%	0.304	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-37.2	172.7	-68.8	177.2	8.3	0	0	111.9	E387 E388 H389	E387-Q391 WeakPolarHBondContact O-CG 3.31Å; E387-Q391 PolarHBondContact O-N 3.27Å; E387-Q391 PolarHBondContact OE1-NE2 2.97Å; E388-Q391 WeakPolarHBondContact O-CB 3.31Å; E388-Q391 PolarHBondContact O-N 3.41Å; H389-Q391 VanDerWaalsContact C-N 3.29Å; H389-Q391 PolarHBondContact O-N 3.38Å
392	L	98.4	Very high	98	Very high	30 Å²	30	54.8 Å²	54.8	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-47.1	173.1	-180	63.3	0	0	0	111.6	R161 M164 E388 H389 F390 A394 R395	R161-L392 HydrophobicContact CB-CD1 4.16Å; R161-L392 HydrophobicContact CG-CB 4.43Å; R161-L392 HydrophobicContact CG-CD1 4.31Å; M164-L392 HydrophobicContact CB-CD1 4.03Å; E388-L392 PolarHBondContact O-N 3Å; H389-L392 WeakPolarHBondContact O-CB 3.4Å; H389-L392 PolarHBondContact O-N 3.42Å; H389-L392 VanDerWaalsContact O-N 3.12Å; F390-L392 VanDerWaalsContact C-N 3.32Å; L392-A394 VanDerWaalsContact C-N 3.33Å; L392-A394 PolarHBondContact O-N 3.13Å; L392-R395 WeakPolarHBondContact O-CB 3.43Å; L392-R395 PolarHBondContact O-N 3.29Å; L392-R395 VanDerWaalsContact O-N 3.16Å
393	L	97.8	Very high	98	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-42.6	177.6	-68.5	-179.1	0	0	0	112.1	P358 H389 F390 R395 R396 M397 V399	P358-L393 HydrophobicContact CB-CD1 4.31Å; H389-L393 WeakPolarHBondContact O-CG 3.37Å; H389-L393 PolarHBondContact O-N 3.47Å; F390-L393 HydrophobicContact CD1-CD1 4.22Å; F390-L393 HydrophobicContact CE1-CD1 4.36Å; F390-L393 PolarHBondContact O-N 3.36Å; L393-R395 PolarHBondContact O-N 3.36Å; L393-R395 VanDerWaalsContact O-N 3.08Å; L393-R396 WeakPolarHBondContact O-CG 3.4Å; L393-R396 PolarHBondContact O-N 3.02Å; L393-M397 HydrophobicContact CB-CG 4.38Å; L393-M397 HydrophobicContact CD2-SD 4.45Å; L393-M397 VanDerWaalsContact O-CG 3.27Å; L393-M397 WeakPolarHBondContact O-CG 3.38Å; L393-M397 PolarHBondContact O-N 3.02Å; L393-V399 HydrophobicContact CB-CG2 4.23Å
394	A	98.1	Very high	98	Very high	59 Å²	59	54.8 Å²	54.8	49%	0.488	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-19.1	179.6	0	0	0	0	0	113.9	F390 L392 M397 V399	F390-A394 WeakPolarHBondContact O-CB 3.36Å; F390-A394 PolarHBondContact O-N 2.91Å; L392-A394 VanDerWaalsContact C-N 3.33Å; L392-A394 PolarHBondContact O-N 3.13Å; A394-M397 WeakPolarHBondContact CA-O 3.3Å; A394-V399 HydrophobicContact CB-CG2 4.06Å
395	R	97.8	Very high	98	Very high	106 Å²	106	50.5 Å²	50.5	40%	0.4	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.8	174.1	-68.5	-172.1	166.6	-74.2	6.7	113.7	H158 T165 L392 L393	H158-R395 PolarHBondContact O-NH2 3.04Å; T165-R395 HydrophobicContact CG2-CB 4.17Å; T165-R395 WeakPolarHBondContact OG1-CD 3.42Å; L392-R395 WeakPolarHBondContact O-CB 3.43Å; L392-R395 PolarHBondContact O-N 3.29Å; L392-R395 VanDerWaalsContact O-N 3.16Å; L393-R395 PolarHBondContact O-N 3.36Å; L393-R395 VanDerWaalsContact O-N 3.08Å
396	R	95.8	Very high	98	Very high	69 Å²	69	48.7 Å²	48.7	26%	0.26	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-14.4	-172.9	65.7	178	-178.1	-167.2	-1.1	114.8	T165 Y169 L393	T165-R396 HydrophobicContact CG2-CB 4.39Å; Y169-R396 HydrophobicContact CE1-CB 4.45Å; Y169-R396 WeakPolarHBondContact OH-CA 3.41Å; Y169-R396 WeakPolarHBondContact OH-CB 3.31Å; L393-R396 WeakPolarHBondContact O-CG 3.4Å; L393-R396 PolarHBondContact O-N 3.02Å
397	M	96.1	Very high	98	Very high	81 Å²	81	48.8 Å²	48.8	40%	0.399	24%	0.236	S	C	.	.	S	Bend	trans	-149.6	160.1	177.9	58.9	173.5	53.3	0	0	111.2	P358 L393 A394 V399	P358-M397 HydrophobicContact CB-SD 4.3Å; L393-M397 HydrophobicContact CB-CG 4.38Å; L393-M397 HydrophobicContact CD2-SD 4.45Å; L393-M397 VanDerWaalsContact O-CG 3.27Å; L393-M397 WeakPolarHBondContact O-CG 3.38Å; L393-M397 PolarHBondContact O-N 3.02Å; A394-M397 WeakPolarHBondContact CA-O 3.3Å; M397-V399 PolarHBondContact O-N 3.31Å
398	Q	97.3	Very high	97.9	Very high	176 Å²	176	46.4 Å²	46.4	82%	0.822	23%	0.225	S	C	*	.			trans	-73	122.9	173.2	-175.3	171	8.5	0	0	110.1
399	V	98	Very high	97.5	Very high	37 Å²	37	43 Å²	43	22%	0.224	21%	0.209	C	C	.	.			trans	-99.8	96.1	172.5	-179.2	0	0	0	0	107.9	P358 F390 L393 A394 M397 K402	P358-V399 HydrophobicContact CG-CG1 4.33Å; P358-V399 HydrophobicContact CG-CG2 4.41Å; F390-V399 HydrophobicContact CD1-CG1 3.89Å; F390-V399 HydrophobicContact CD1-CG2 4.46Å; F390-V399 HydrophobicContact CE1-CG1 4.14Å; L393-V399 HydrophobicContact CB-CG2 4.23Å; A394-V399 HydrophobicContact CB-CG2 4.06Å; M397-V399 PolarHBondContact O-N 3.31Å; V399-K402 HydrophobicContact CG1-CG 4.12Å
400	D	96.5	Very high	97.2	Very high	99 Å²	99	43.5 Å²	43.5	53%	0.529	21%	0.213	S	C	.	.	S	Bend	trans	-69.3	-37.7	179.9	68.9	-35.8	0	0	0	111.9	R403	D400-R403 VanDerWaalsContact CG-NH2 3.32Å; D400-R403 IonicContact OD1-CZ 3.85Å; D400-R403 IonicContact OD1-NH1 2.94Å; D400-R403 PolarHBondContact OD1-NH1 3.45Å; D400-R403 IonicContact OD1-NH2 3.18Å; D400-R403 PolarHBondContact OD1-NH2 3.17Å; D400-R403 IonicContact OD2-CZ 2.77Å; D400-R403 IonicContact OD2-NH1 2.56Å; D400-R403 IonicContact OD2-NH2 3.81Å; D400-R403 PolarHBondContact OD2-NH2 2.93Å
401	K	97.8	Very high	96.9	Very high	79 Å²	79	45 Å²	45	34%	0.343	22%	0.222	S	C	.	.	S	Bend	trans	-150.8	139.3	173.9	-167.4	62.1	169.4	165.3	0	109.9	R403 N423 E425	K401-R403 HydrophobicContact CB-CG 4.49Å; K401-R403 PolarHBondContact O-N 3.27Å; K401-N423 PolarHBondContact NZ-O 3.29Å; K401-E425 HydrophobicContact CG-CB 3.83Å; K401-E425 WeakPolarHBondContact CG-OE2 3.23Å
402	K	98.6	Very high	96.7	Very high	59 Å²	59	45.1 Å²	45.1	26%	0.257	23%	0.231	S	C	.	.			trans	-78	100.7	173.9	-62.4	-178.3	176.4	178.5	0	109.6	E387 F390 V399 Y424 E425	E387-K402 IonicContact OE1-NZ 3.9Å; E387-K402 PolarHBondContact OE1-NZ 2.79Å; E387-K402 IonicContact OE2-NZ 3.85Å; E387-K402 PolarHBondContact OE2-NZ 3.42Å; F390-K402 HydrophobicContact CB-CD 4.27Å; F390-K402 HydrophobicContact CB-CG 4.34Å; F390-K402 HydrophobicContact CD1-CB 4.4Å; F390-K402 HydrophobicContact CD1-CG 4.1Å; F390-K402 HydrophobicContact CD2-CB 3.96Å; F390-K402 HydrophobicContact CD2-CD 4.32Å; F390-K402 HydrophobicContact CD2-CG 4.09Å; F390-K402 HydrophobicContact CE1-CB 4.34Å; F390-K402 HydrophobicContact CE1-CG 4.48Å; F390-K402 HydrophobicContact CE2-CB 3.88Å; F390-K402 HydrophobicContact CE2-CG 4.46Å; F390-K402 HydrophobicContact CG-CB 4.24Å; F390-K402 HydrophobicContact CG-CD 4.25Å; F390-K402 HydrophobicContact CG-CG 3.91Å; F390-K402 HydrophobicContact CZ-CB 4.1Å; V399-K402 HydrophobicContact CG1-CG 4.12Å; K402-Y424 HydrophobicContact CB-CD1 3.57Å; K402-Y424 HydrophobicContact CB-CE1 3.55Å; K402-Y424 HydrophobicContact CB-CG 4.21Å; K402-Y424 HydrophobicContact CD-CE1 3.94Å; K402-Y424 HydrophobicContact CD-CE2 4.08Å; K402-Y424 HydrophobicContact CG-CE1 4.34Å; K402-Y424 WeakPolarHBondContact O-CA 3.41Å; K402-Y424 WeakPolarHBondContact O-CD1 3.39Å; K402-E425 PolarHBondContact O-N 3.03Å
403	R	98.8	Very high	96.6	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.011	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.3	-177.6	-64.4	172.7	-171.1	103.9	3.1	111.6	K356 H357 V359 I360 F390 D400 K401 E425 I427	K356-R403 VanDerWaalsContact CE-CZ 3.47Å; K356-R403 VanDerWaalsContact CE-NE 3.27Å; K356-R403 VanDerWaalsContact CE-NH2 3.32Å; K356-R403 WeakPolarHBondContact O-CD 3.3Å; H357-R403 PolarHBondContact O-NH1 3.3Å; V359-R403 WeakPolarHBondContact CA-O 3.29Å; V359-R403 HydrophobicContact CB-CB 4.01Å; V359-R403 HydrophobicContact CG2-CB 3.97Å; I360-R403 PolarHBondContact N-O 2.91Å; F390-R403 VanDerWaalsContact CZ-O 3.23Å; F390-R403 WeakPolarHBondContact CZ-O 3.25Å; D400-R403 VanDerWaalsContact CG-NH2 3.32Å; D400-R403 IonicContact OD1-CZ 3.85Å; D400-R403 IonicContact OD1-NH1 2.94Å; D400-R403 PolarHBondContact OD1-NH1 3.45Å; D400-R403 IonicContact OD1-NH2 3.18Å; D400-R403 PolarHBondContact OD1-NH2 3.17Å; D400-R403 IonicContact OD2-CZ 2.77Å; D400-R403 IonicContact OD2-NH1 2.56Å; D400-R403 IonicContact OD2-NH2 3.81Å; D400-R403 PolarHBondContact OD2-NH2 2.93Å; K401-R403 HydrophobicContact CB-CG 4.49Å; K401-R403 PolarHBondContact O-N 3.27Å; R403-E425 CarbonylContact C-O 3.54Å; R403-E425 WeakPolarHBondContact CA-O 3.16Å; R403-E425 HydrophobicContact CG-CB 4.07Å; R403-E425 HydrophobicContact CG-CG 4.33Å; R403-E425 IonicContact CZ-OE2 3.22Å; R403-E425 IonicContact NE-OE2 2.77Å; R403-E425 PolarHBondContact NE-OE2 3.2Å; R403-E425 VanDerWaalsContact NE-OE2 3.13Å; R403-I427 HydrophobicContact CB-CD1 4.39Å
404	V	98.9	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.4	174.4	171.8	0	0	0	0	108.7	I360 V362 M383 V386 L406 Y424 E425 F426 I427	I360-V404 CarbonylContact O-C 3.53Å; I360-V404 VanDerWaalsContact O-CA 3.3Å; I360-V404 WeakPolarHBondContact O-CA 3.41Å; V362-V404 HydrophobicContact CB-CG1 3.87Å; V362-V404 HydrophobicContact CG2-CG1 3.56Å; M383-V404 HydrophobicContact CE-CG2 4.41Å; V386-V404 HydrophobicContact CG1-CG2 3.71Å; V404-L406 HydrophobicContact CG1-CB 4.45Å; V404-Y424 HydrophobicContact CG2-CD1 3.74Å; V404-Y424 HydrophobicContact CG2-CE1 4.13Å; V404-E425 PolarHBondContact N-O 3.5Å; V404-F426 HydrophobicContact CB-CD1 3.8Å; V404-F426 HydrophobicContact CB-CE1 3.85Å; V404-F426 HydrophobicContact CG1-CD1 3.82Å; V404-F426 HydrophobicContact CG1-CE1 3.78Å; V404-F426 HydrophobicContact CG2-CE1 4.33Å; V404-F426 WeakPolarHBondContact O-CA 3.26Å; V404-I427 PolarHBondContact O-N 2.75Å
405	Y	98.8	Very high	96.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114	164.1	-175.4	-92.7	0	0	0	108.5	L353 F355 I360 V362 A407 I427 D453 F456 L457	L353-Y405 HydrophobicContact CD1-CE2 4.33Å; F355-Y405 HydrophobicContact CD2-CD2 4.01Å; F355-Y405 HydrophobicContact CE2-CD2 4.09Å; F355-Y405 HydrophobicContact CE2-CG 4.22Å; I360-Y405 PolarHBondContact O-N 2.88Å; V362-Y405 PolarHBondContact N-O 3.28Å; Y405-A407 HydrophobicContact CE1-CB 4.08Å; Y405-I427 CarbonylContact C-O 3.58Å; Y405-I427 WeakPolarHBondContact CA-O 3.14Å; Y405-I427 HydrophobicContact CD2-CB 4.21Å; Y405-I427 HydrophobicContact CD2-CG2 3.93Å; Y405-I427 HydrophobicContact CE2-CG2 4.38Å; Y405-D453 PolarHBondContact OH-OD1 3.26Å; Y405-F456 HydrophobicContact CD1-CB 3.75Å; Y405-F456 HydrophobicContact CD2-CB 3.64Å; Y405-F456 HydrophobicContact CD2-CG 4.14Å; Y405-F456 HydrophobicContact CE1-CB 3.54Å; Y405-F456 HydrophobicContact CE1-CG 4.5Å; Y405-F456 HydrophobicContact CE2-CB 3.41Å; Y405-F456 VanDerWaalsContact CE2-CB 3.41Å; Y405-F456 AromaticContact CE2-CD2 3.62Å; Y405-F456 HydrophobicContact CE2-CD2 3.62Å; Y405-F456 AromaticContact CE2-CG 3.64Å; Y405-F456 HydrophobicContact CE2-CG 3.64Å; Y405-F456 HydrophobicContact CG-CB 3.81Å; Y405-F456 AromaticContact CZ-CD2 3.67Å; Y405-F456 AromaticContact CZ-CG 3.87Å; Y405-F456 WeakPolarHBondContact OH-CD2 3.4Å; Y405-L457 HydrophobicContact CD1-CD2 4.03Å; Y405-L457 HydrophobicContact CD1-CG 4.14Å; Y405-L457 HydrophobicContact CE1-CG 4.28Å
406	L	98.7	Very high	96.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	109.3	-176.7	179.5	63.3	0	0	0	110.7	V362 V364 V404 T408 L413 L414 A417 F426 I427 S428	V362-L406 HydrophobicContact CB-CD1 4.25Å; V362-L406 HydrophobicContact CG1-CD1 3.95Å; V364-L406 HydrophobicContact CG2-CD1 4.17Å; V404-L406 HydrophobicContact CG1-CB 4.45Å; L406-T408 HydrophobicContact CG-CG2 4.37Å; L406-L413 HydrophobicContact CD1-CD2 4.32Å; L406-L413 HydrophobicContact CD2-CG 4.32Å; L406-L414 HydrophobicContact CD2-CD1 4.13Å; L406-A417 HydrophobicContact CD2-CB 4.26Å; L406-F426 HydrophobicContact CB-CD1 4.31Å; L406-F426 HydrophobicContact CD2-CD1 4.39Å; L406-I427 PolarHBondContact N-O 2.96Å; L406-S428 WeakPolarHBondContact O-CB 3.29Å; L406-S428 PolarHBondContact O-OG 3.36Å
407	A	98.1	Very high	96.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128	168.7	0	0	0	0	0	109.7	V362 H363 V364 Y405 D453 L457	V362-A407 PolarHBondContact O-N 3.42Å; H363-A407 WeakPolarHBondContact CA-O 3.49Å; H363-A407 HydrophobicContact CB-CB 4.49Å; V364-A407 PolarHBondContact N-O 2.57Å; Y405-A407 HydrophobicContact CE1-CB 4.08Å; A407-D453 HydrophobicContact CB-CB 3.94Å; A407-L457 HydrophobicContact CB-CD1 3.74Å; A407-L457 HydrophobicContact CB-CD2 4.08Å; A407-L457 HydrophobicContact CB-CG 4.03Å
408	T	95.9	Very high	96.7	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	147.6	-177.3	179.4	0	0	0	0	111	V364 L406 D410 L413 S433	V364-T408 WeakPolarHBondContact O-CA 3.45Å; V364-T408 PolarHBondContact O-OG1 3.08Å; L406-T408 HydrophobicContact CG-CG2 4.37Å; T408-D410 WeakPolarHBondContact CG2-O 3.32Å; T408-D410 PolarHBondContact OG1-N 3.46Å; T408-D410 PolarHBondContact OG1-O 3.49Å; T408-L413 HydrophobicContact CG2-CB 4.29Å; T408-L413 HydrophobicContact CG2-CD2 4.27Å; T408-S433 WeakPolarHBondContact CG2-OG 3.32Å; T408-S433 VanDerWaalsContact O-CA 3.31Å; T408-S433 WeakPolarHBondContact O-CA 3.39Å; T408-S433 WeakPolarHBondContact O-CB 3.47Å; T408-S433 PolarHBondContact O-OG 2.96Å
409	D	91.5	Very high	96.7	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.059	22%	0.215	C	C	.	.	S	Bend	trans	-91.6	1.6	169.5	64.4	-22.5	0	0	0	113.1	R365 R366 T367 A436	R365-D409 IonicContact CZ-OD2 2.79Å; R365-D409 IonicContact NE-OD2 3.47Å; R365-D409 IonicContact NH1-OD2 3.84Å; R365-D409 PolarHBondContact NH1-OD2 2.93Å; R366-D409 PolarHBondContact N-OD1 3.24Å; T367-D409 WeakPolarHBondContact CB-OD2 3.29Å; T367-D409 HydrophobicContact CG2-CB 4.19Å; T367-D409 WeakPolarHBondContact CG2-OD2 3.5Å; T367-D409 PolarHBondContact N-OD2 3.06Å; T367-D409 PolarHBondContact OG1-OD2 3Å; D409-A436 HydrophobicContact CB-CB 4.11Å
410	D	92.1	Very high	96.7	Very high	31 Å²	31	44.4 Å²	44.4	17%	0.166	22%	0.223	C	C	.	.			trans	-105.1	104.8	172.3	-176.9	-14.3	0	0	0	110.8	R366 T408 S412 L413	R366-D410 HydrophobicContact CB-CB 4.48Å; R366-D410 VanDerWaalsContact CD-OD2 3.25Å; R366-D410 WeakPolarHBondContact CD-OD2 3.42Å; R366-D410 IonicContact CZ-OD2 2.74Å; R366-D410 IonicContact NE-OD2 3.52Å; R366-D410 IonicContact NH1-OD2 2.7Å; R366-D410 PolarHBondContact NH1-OD2 3.5Å; T408-D410 WeakPolarHBondContact CG2-O 3.32Å; T408-D410 PolarHBondContact OG1-N 3.46Å; T408-D410 PolarHBondContact OG1-O 3.49Å; D410-S412 PolarHBondContact O-N 3.13Å; D410-S412 VanDerWaalsContact O-N 3.17Å; D410-S412 WeakPolarHBondContact OD1-CB 3.23Å; D410-S412 PolarHBondContact OD1-N 3.15Å; D410-S412 PolarHBondContact OD1-OG 3.29Å; D410-S412 PolarHBondContact OD2-OG 2.88Å; D410-L413 HydrophobicContact CB-CB 4.34Å; D410-L413 WeakPolarHBondContact O-CB 3.5Å; D410-L413 PolarHBondContact O-N 3.04Å
411	P	91.3	Very high	96.8	Very high	32 Å²	32	42 Å²	42	21%	0.208	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.5	-176.3	29.2	-35.4	0	0	0	114.2	N430 W434	P411-N430 PolarHBondContact O-ND2 3.43Å; P411-N430 PolarHBondContact O-OD1 3.02Å; P411-W434 HydrophobicContact CB-CD2 3.83Å; P411-W434 HydrophobicContact CB-CG 3.92Å; P411-W434 HydrophobicContact CB-CZ2 4.13Å; P411-W434 HydrophobicContact CG-CD2 3.84Å; P411-W434 HydrophobicContact CG-CE3 4.09Å; P411-W434 HydrophobicContact CG-CG 4.37Å; P411-W434 HydrophobicContact CG-CH2 4.19Å; P411-W434 HydrophobicContact CG-CZ2 3.95Å; P411-W434 HydrophobicContact CG-CZ3 4.26Å
412	S	94.4	Very high	96.8	Very high	69 Å²	69	42.7 Å²	42.7	48%	0.483	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-23.3	176.6	74	0	0	0	0	112.7	D410 L414 K415 E416	D410-S412 PolarHBondContact O-N 3.13Å; D410-S412 VanDerWaalsContact O-N 3.17Å; D410-S412 WeakPolarHBondContact OD1-CB 3.23Å; D410-S412 PolarHBondContact OD1-N 3.15Å; D410-S412 PolarHBondContact OD1-OG 3.29Å; D410-S412 PolarHBondContact OD2-OG 2.88Å; S412-L414 PolarHBondContact O-N 3.17Å; S412-K415 PolarHBondContact O-N 2.84Å; S412-E416 PolarHBondContact O-N 3.08Å
413	L	95.9	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-34.9	-171	-175.9	60.2	0	0	0	113.5	V364 I379 L406 T408 D410 K415 E416 A417	V364-L413 HydrophobicContact CB-CD2 3.58Å; V364-L413 HydrophobicContact CG1-CD2 3.56Å; V364-L413 HydrophobicContact CG2-CD2 3.84Å; I379-L413 HydrophobicContact CB-CD1 4.05Å; I379-L413 HydrophobicContact CD1-CD1 4.4Å; I379-L413 HydrophobicContact CG1-CD1 4.33Å; L406-L413 HydrophobicContact CD1-CD2 4.32Å; L406-L413 HydrophobicContact CD2-CG 4.32Å; T408-L413 HydrophobicContact CG2-CB 4.29Å; T408-L413 HydrophobicContact CG2-CD2 4.27Å; D410-L413 HydrophobicContact CB-CB 4.34Å; D410-L413 WeakPolarHBondContact O-CB 3.5Å; D410-L413 PolarHBondContact O-N 3.04Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.93Å; L413-E416 WeakPolarHBondContact O-CB 3.35Å; L413-E416 PolarHBondContact O-N 3.21Å; L413-A417 WeakPolarHBondContact O-CB 3.25Å; L413-A417 PolarHBondContact O-N 3.42Å
414	L	96.9	Very high	96.8	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-39.6	-179.8	-179.7	61.9	0	0	0	111.9	L406 S412 K418 F426 N430	L406-L414 HydrophobicContact CD2-CD1 4.13Å; S412-L414 PolarHBondContact O-N 3.17Å; L414-K418 HydrophobicContact CD1-CD 4.43Å; L414-K418 HydrophobicContact CG-CD 4.49Å; L414-K418 WeakPolarHBondContact O-CB 3.46Å; L414-K418 WeakPolarHBondContact O-CG 3.24Å; L414-K418 PolarHBondContact O-N 3.01Å; L414-K418 VanDerWaalsContact O-N 3.15Å; L414-F426 HydrophobicContact CD1-CB 3.95Å; L414-N430 HydrophobicContact CD2-CB 3.85Å
415	K	97.1	Very high	96.8	Very high	168 Å²	168	49.7 Å²	49.7	73%	0.73	26%	0.256	S	S	*	.	H	α-helix	trans	-68.2	-45.2	177.5	-174.6	179.4	177.7	-176.7	0	110.5	S412 L413 K418 T419	S412-K415 PolarHBondContact O-N 2.84Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.93Å; K415-K418 PolarHBondContact O-N 3.14Å; K415-T419 PolarHBondContact O-N 3.43Å; K415-T419 PolarHBondContact O-OG1 2.94Å; K415-T419 VanDerWaalsContact O-OG1 3.09Å
416	E	97.7	Very high	96.8	Very high	54 Å²	54	50.3 Å²	50.3	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-56.9	-50.6	176.5	-176	-169.8	164.5	0	0	111.7	S412 L413 K418 T419 K420	S412-E416 PolarHBondContact O-N 3.08Å; L413-E416 WeakPolarHBondContact O-CB 3.35Å; L413-E416 PolarHBondContact O-N 3.21Å; E416-K418 PolarHBondContact O-N 2.86Å; E416-T419 PolarHBondContact O-N 3.49Å; E416-T419 VanDerWaalsContact O-N 3.14Å; E416-K420 HydrophobicContact CG-CD 4.07Å; E416-K420 PolarHBondContact O-N 3.47Å; E416-K420 WeakPolarHBondContact OE1-CE 3.21Å; E416-K420 IonicContact OE1-NZ 2.67Å; E416-K420 PolarHBondContact OE1-NZ 2.93Å
417	A	97.9	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-44.4	-178.6	0	0	0	0	0	111.9	I379 L406 L413 T419 K420 Y421 F426	I379-A417 HydrophobicContact CG1-CB 4.33Å; L406-A417 HydrophobicContact CD2-CB 4.26Å; L413-A417 WeakPolarHBondContact O-CB 3.25Å; L413-A417 PolarHBondContact O-N 3.42Å; A417-T419 VanDerWaalsContact C-N 3.29Å; A417-T419 PolarHBondContact O-N 2.85Å; A417-K420 PolarHBondContact O-N 3.21Å; A417-Y421 WeakPolarHBondContact O-CB 3.39Å; A417-Y421 PolarHBondContact O-N 3.23Å; A417-F426 HydrophobicContact CB-CD1 4.24Å; A417-F426 HydrophobicContact CB-CE1 3.79Å; A417-F426 HydrophobicContact CB-CE2 4.12Å; A417-F426 HydrophobicContact CB-CZ 3.72Å; A417-F426 WeakPolarHBondContact O-CE2 3.3Å
418	K	98	Very high	96.6	Very high	107 Å²	107	51.6 Å²	51.6	47%	0.465	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-34.3	175.3	-75.5	-178.5	176.9	-176.3	0	113	L414 K415 E416 F426	L414-K418 HydrophobicContact CD1-CD 4.43Å; L414-K418 HydrophobicContact CG-CD 4.49Å; L414-K418 WeakPolarHBondContact O-CB 3.46Å; L414-K418 WeakPolarHBondContact O-CG 3.24Å; L414-K418 PolarHBondContact O-N 3.01Å; L414-K418 VanDerWaalsContact O-N 3.15Å; K415-K418 PolarHBondContact O-N 3.14Å; E416-K418 PolarHBondContact O-N 2.86Å; K418-F426 HydrophobicContact CG-CB 4.13Å; K418-F426 HydrophobicContact CG-CD2 3.82Å; K418-F426 HydrophobicContact CG-CG 4.27Å
419	T	98.3	Very high	96.4	Very high	108 Å²	108	53.4 Å²	53.4	66%	0.663	28%	0.277	S	S	*	.	H	α-helix	trans	-73.5	-43.7	177.2	-62.1	0	0	0	0	112.1	K415 E416 A417	K415-T419 PolarHBondContact O-N 3.43Å; K415-T419 PolarHBondContact O-OG1 2.94Å; K415-T419 VanDerWaalsContact O-OG1 3.09Å; E416-T419 PolarHBondContact O-N 3.49Å; E416-T419 VanDerWaalsContact O-N 3.14Å; A417-T419 VanDerWaalsContact C-N 3.29Å; A417-T419 PolarHBondContact O-N 2.85Å
420	K	98.4	Very high	96.4	Very high	90 Å²	90	55.1 Å²	55.1	39%	0.391	29%	0.286	S	S	.	.	H	α-helix	trans	-74.7	-31.5	-178.7	-71.4	-179.3	175	176.3	0	113.2	I379 E380 E416 A417 P422	I379-K420 HydrophobicContact CG2-CD 4.02Å; E380-K420 WeakPolarHBondContact OE1-CD 3.33Å; E380-K420 VanDerWaalsContact OE1-CE 3.26Å; E380-K420 WeakPolarHBondContact OE1-CE 3.27Å; E380-K420 IonicContact OE1-NZ 3.88Å; E380-K420 PolarHBondContact OE1-NZ 3.07Å; E380-K420 IonicContact OE2-NZ 3.46Å; E416-K420 HydrophobicContact CG-CD 4.07Å; E416-K420 PolarHBondContact O-N 3.47Å; E416-K420 WeakPolarHBondContact OE1-CE 3.21Å; E416-K420 IonicContact OE1-NZ 2.67Å; E416-K420 PolarHBondContact OE1-NZ 2.93Å; A417-K420 PolarHBondContact O-N 3.21Å; K420-P422 VanDerWaalsContact C-CD 3.42Å; K420-P422 WeakPolarHBondContact O-CD 3.4Å
421	Y	98.4	Very high	96.1	Very high	50 Å²	50	57.1 Å²	57.1	20%	0.196	30%	0.302	C	S	.	.			trans	-123.9	64.7	-174.8	-59	-82.4	0	0	0	112	I379 E380 M383 A417 N423 Y424 F426	I379-Y421 HydrophobicContact CG1-CE2 4.41Å; I379-Y421 HydrophobicContact CG2-CE2 4.31Å; E380-Y421 WeakPolarHBondContact CA-OH 3.31Å; M383-Y421 HydrophobicContact CB-CD1 4.46Å; M383-Y421 HydrophobicContact CB-CE1 3.75Å; M383-Y421 HydrophobicContact CB-CE2 3.98Å; M383-Y421 VanDerWaalsContact CB-CZ 3.48Å; M383-Y421 HydrophobicContact CE-CD1 4.04Å; M383-Y421 HydrophobicContact CE-CD2 4.43Å; M383-Y421 HydrophobicContact CE-CE1 4.41Å; M383-Y421 HydrophobicContact CE-CG 4.06Å; M383-Y421 HydrophobicContact CG-CD2 4.01Å; M383-Y421 HydrophobicContact CG-CE1 4.14Å; M383-Y421 HydrophobicContact CG-CE2 3.6Å; M383-Y421 HydrophobicContact CG-CG 4.46Å; A417-Y421 WeakPolarHBondContact O-CB 3.39Å; A417-Y421 PolarHBondContact O-N 3.23Å; Y421-N423 PolarHBondContact O-N 3.45Å; Y421-N423 VanDerWaalsContact O-N 3.11Å; Y421-Y424 HydrophobicContact CD1-CD2 4.45Å; Y421-Y424 HydrophobicContact CD1-CE2 4.47Å; Y421-Y424 WeakPolarHBondContact O-CB 3.49Å; Y421-Y424 PolarHBondContact O-N 3.08Å; Y421-Y424 VanDerWaalsContact O-N 3.08Å; Y421-F426 HydrophobicContact CD2-CZ 4.41Å
422	P	98.1	Very high	95.9	Very high	93 Å²	93	56.2 Å²	56.2	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.4	-175.3	27.8	-36.5	0	0	0	113.9	K420 Y424	K420-P422 VanDerWaalsContact C-CD 3.42Å; K420-P422 WeakPolarHBondContact O-CD 3.4Å; P422-Y424 VanDerWaalsContact C-N 3.27Å; P422-Y424 PolarHBondContact O-N 2.89Å
423	N	97.8	Very high	95.4	Very high	126 Å²	126	53 Å²	53	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.5	177.8	-66.1	-25.7	0	0	0	112.9	K401 Y421	K401-N423 PolarHBondContact NZ-O 3.29Å; Y421-N423 PolarHBondContact O-N 3.45Å; Y421-N423 VanDerWaalsContact O-N 3.11Å
424	Y	98.6	Very high	94.8	Very high	20 Å²	20	61.1 Å²	61.1	8%	0.078	30%	0.304	C	S	.	.	S	Bend	trans	-92.4	148.7	-178.2	-77.8	-100.4	0	0	0	112.5	M383 V386 E387 F390 K402 V404 Y421 P422	M383-Y424 HydrophobicContact CE-CD1 3.9Å; M383-Y424 HydrophobicContact CE-CD2 4.1Å; M383-Y424 HydrophobicContact CE-CE1 3.7Å; M383-Y424 HydrophobicContact CE-CE2 3.94Å; M383-Y424 HydrophobicContact CE-CG 4.07Å; V386-Y424 HydrophobicContact CG1-CE1 3.71Å; E387-Y424 VanDerWaalsContact CA-OH 3.31Å; E387-Y424 WeakPolarHBondContact CA-OH 3.25Å; E387-Y424 WeakPolarHBondContact CB-OH 3.41Å; E387-Y424 PolarHBondContact OE2-OH 2.7Å; F390-Y424 AromaticContact CD2-CE1 3.74Å; F390-Y424 HydrophobicContact CD2-CE1 3.74Å; F390-Y424 HydrophobicContact CE2-CD1 4.42Å; F390-Y424 AromaticContact CE2-CE1 3.82Å; F390-Y424 HydrophobicContact CE2-CE1 3.82Å; K402-Y424 HydrophobicContact CB-CD1 3.57Å; K402-Y424 HydrophobicContact CB-CE1 3.55Å; K402-Y424 HydrophobicContact CB-CG 4.21Å; K402-Y424 HydrophobicContact CD-CE1 3.94Å; K402-Y424 HydrophobicContact CD-CE2 4.08Å; K402-Y424 HydrophobicContact CG-CE1 4.34Å; K402-Y424 WeakPolarHBondContact O-CA 3.41Å; K402-Y424 WeakPolarHBondContact O-CD1 3.39Å; V404-Y424 HydrophobicContact CG2-CD1 3.74Å; V404-Y424 HydrophobicContact CG2-CE1 4.13Å; Y421-Y424 HydrophobicContact CD1-CD2 4.45Å; Y421-Y424 HydrophobicContact CD1-CE2 4.47Å; Y421-Y424 WeakPolarHBondContact O-CB 3.49Å; Y421-Y424 PolarHBondContact O-N 3.08Å; Y421-Y424 VanDerWaalsContact O-N 3.08Å; P422-Y424 VanDerWaalsContact C-N 3.27Å; P422-Y424 PolarHBondContact O-N 2.89Å
425	E	98.6	Very high	94.2	Very high	62 Å²	62	60.8 Å²	60.8	29%	0.29	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.2	169.3	179.3	-177.7	176.4	0	0	108.7	K401 K402 R403 V404	K401-E425 HydrophobicContact CG-CB 3.83Å; K401-E425 WeakPolarHBondContact CG-OE2 3.23Å; K402-E425 PolarHBondContact O-N 3.03Å; R403-E425 CarbonylContact C-O 3.54Å; R403-E425 WeakPolarHBondContact CA-O 3.16Å; R403-E425 HydrophobicContact CG-CB 4.07Å; R403-E425 HydrophobicContact CG-CG 4.33Å; R403-E425 IonicContact CZ-OE2 3.22Å; R403-E425 IonicContact NE-OE2 2.77Å; R403-E425 PolarHBondContact NE-OE2 3.2Å; R403-E425 VanDerWaalsContact NE-OE2 3.13Å; V404-E425 PolarHBondContact N-O 3.5Å
426	F	98.4	Very high	93.4	Very high	14 Å²	14	53.8 Å²	53.8	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.6	176.4	-70.8	-86.3	0	0	0	111.2	M383 V404 L406 L414 A417 K418 Y421	M383-F426 HydrophobicContact CE-CZ 4.26Å; M383-F426 HydrophobicContact SD-CE1 4.31Å; M383-F426 HydrophobicContact SD-CZ 4.27Å; V404-F426 HydrophobicContact CB-CD1 3.8Å; V404-F426 HydrophobicContact CB-CE1 3.85Å; V404-F426 HydrophobicContact CG1-CD1 3.82Å; V404-F426 HydrophobicContact CG1-CE1 3.78Å; V404-F426 HydrophobicContact CG2-CE1 4.33Å; V404-F426 WeakPolarHBondContact O-CA 3.26Å; L406-F426 HydrophobicContact CB-CD1 4.31Å; L406-F426 HydrophobicContact CD2-CD1 4.39Å; L414-F426 HydrophobicContact CD1-CB 3.95Å; A417-F426 HydrophobicContact CB-CD1 4.24Å; A417-F426 HydrophobicContact CB-CE1 3.79Å; A417-F426 HydrophobicContact CB-CE2 4.12Å; A417-F426 HydrophobicContact CB-CZ 3.72Å; A417-F426 WeakPolarHBondContact O-CE2 3.3Å; K418-F426 HydrophobicContact CG-CB 4.13Å; K418-F426 HydrophobicContact CG-CD2 3.82Å; K418-F426 HydrophobicContact CG-CG 4.27Å; Y421-F426 HydrophobicContact CD2-CZ 4.41Å
427	I	98.3	Very high	92.5	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.8	172.8	-51.8	179.2	0	0	0	107.1	L353 R403 V404 Y405 L406	L353-I427 HydrophobicContact CB-CG2 3.8Å; R403-I427 HydrophobicContact CB-CD1 4.39Å; V404-I427 PolarHBondContact O-N 2.75Å; Y405-I427 CarbonylContact C-O 3.58Å; Y405-I427 WeakPolarHBondContact CA-O 3.14Å; Y405-I427 HydrophobicContact CD2-CB 4.21Å; Y405-I427 HydrophobicContact CD2-CG2 3.93Å; Y405-I427 HydrophobicContact CE2-CG2 4.38Å; L406-I427 PolarHBondContact N-O 2.96Å
428	S	96.1	Very high	91.6	Very high	19 Å²	19	57.1 Å²	57.1	13%	0.133	30%	0.3	C	S	.	.			trans	-167	144.5	-178.9	-176.1	0	0	0	0	109.3	L406	L406-S428 WeakPolarHBondContact O-CB 3.29Å; L406-S428 PolarHBondContact O-OG 3.36Å
429	D	91.3	Very high	90.8	Very high	43 Å²	43	60.9 Å²	60.9	23%	0.23	32%	0.319	C	S	.	.			trans	-99.8	98.5	166.7	-168.5	-27.2	0	0	0	109.7	L353 S431 I432	L353-D429 HydrophobicContact CD2-CB 4.37Å; D429-S431 PolarHBondContact O-N 3.32Å; D429-S431 VanDerWaalsContact O-N 3.08Å; D429-S431 VanDerWaalsContact OD1-CB 3.29Å; D429-S431 WeakPolarHBondContact OD1-CB 3.48Å; D429-S431 PolarHBondContact OD1-N 3.25Å; D429-S431 PolarHBondContact OD1-OG 3.03Å; D429-I432 HydrophobicContact CB-CB 4.4Å; D429-I432 HydrophobicContact CB-CD1 3.76Å; D429-I432 HydrophobicContact CB-CG1 3.9Å; D429-I432 WeakPolarHBondContact O-CB 3.44Å; D429-I432 PolarHBondContact O-N 3.38Å
430	N	90.1	Very high	90	Very high	48 Å²	48	60 Å²	60	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-18.5	-177.3	-151.7	45.8	0	0	0	113.1	P411 L414 I432 S433 W434	P411-N430 PolarHBondContact O-ND2 3.43Å; P411-N430 PolarHBondContact O-OD1 3.02Å; L414-N430 HydrophobicContact CD2-CB 3.85Å; N430-I432 VanDerWaalsContact C-N 3.3Å; N430-S433 PolarHBondContact O-N 3Å; N430-W434 VanDerWaalsContact O-CD1 3.24Å; N430-W434 PolarHBondContact O-N 2.87Å
431	S	86.3	Confident	89.4	Confident	73 Å²	73	56.8 Å²	56.8	51%	0.51	30%	0.296	S	S	.	.	H	α-helix	trans	-70.1	-31	174.2	75.6	0	0	0	0	111.6	D429 W434 S435	D429-S431 PolarHBondContact O-N 3.32Å; D429-S431 VanDerWaalsContact O-N 3.08Å; D429-S431 VanDerWaalsContact OD1-CB 3.29Å; D429-S431 WeakPolarHBondContact OD1-CB 3.48Å; D429-S431 PolarHBondContact OD1-N 3.25Å; D429-S431 PolarHBondContact OD1-OG 3.03Å; S431-W434 PolarHBondContact O-N 2.84Å; S431-S435 PolarHBondContact O-N 2.99Å
432	I	86.8	Confident	89.1	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.062	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-45.5	171.7	-64.2	177.9	0	0	0	110	D429 N430 W434 S435 A436 L452 D453	D429-I432 HydrophobicContact CB-CB 4.4Å; D429-I432 HydrophobicContact CB-CD1 3.76Å; D429-I432 HydrophobicContact CB-CG1 3.9Å; D429-I432 WeakPolarHBondContact O-CB 3.44Å; D429-I432 PolarHBondContact O-N 3.38Å; N430-I432 VanDerWaalsContact C-N 3.3Å; I432-W434 VanDerWaalsContact C-N 3.3Å; I432-W434 PolarHBondContact O-N 3.15Å; I432-S435 WeakPolarHBondContact O-CA 3.33Å; I432-S435 WeakPolarHBondContact O-CB 3.37Å; I432-S435 PolarHBondContact O-N 3.34Å; I432-S435 PolarHBondContact O-OG 3.44Å; I432-A436 PolarHBondContact O-N 2.94Å; I432-L452 HydrophobicContact CD1-CB 4.19Å; I432-L452 HydrophobicContact CD1-CD1 4.2Å; I432-D453 VanDerWaalsContact CG2-OD2 3.28Å; I432-D453 WeakPolarHBondContact CG2-OD2 3.3Å
433	S	84.9	Confident	88.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-41.6	175.6	-58.3	0	0	0	0	112.9	T408 N430 A436	T408-S433 WeakPolarHBondContact CG2-OG 3.32Å; T408-S433 VanDerWaalsContact O-CA 3.31Å; T408-S433 WeakPolarHBondContact O-CA 3.39Å; T408-S433 WeakPolarHBondContact O-CB 3.47Å; T408-S433 PolarHBondContact O-OG 2.96Å; N430-S433 PolarHBondContact O-N 3Å; S433-A436 PolarHBondContact O-N 3.38Å
434	W	83.3	Confident	88.6	Confident	172 Å²	172	55.8 Å²	55.8	65%	0.652	28%	0.281	S	S	*	.	H	α-helix	trans	-63.5	-40.5	173.1	-84	106.6	0	0	0	112.8	P411 N430 S431 I432 A436 G437	P411-W434 HydrophobicContact CB-CD2 3.83Å; P411-W434 HydrophobicContact CB-CG 3.92Å; P411-W434 HydrophobicContact CB-CZ2 4.13Å; P411-W434 HydrophobicContact CG-CD2 3.84Å; P411-W434 HydrophobicContact CG-CE3 4.09Å; P411-W434 HydrophobicContact CG-CG 4.37Å; P411-W434 HydrophobicContact CG-CH2 4.19Å; P411-W434 HydrophobicContact CG-CZ2 3.95Å; P411-W434 HydrophobicContact CG-CZ3 4.26Å; N430-W434 VanDerWaalsContact O-CD1 3.24Å; N430-W434 PolarHBondContact O-N 2.87Å; S431-W434 PolarHBondContact O-N 2.84Å; I432-W434 VanDerWaalsContact C-N 3.3Å; I432-W434 PolarHBondContact O-N 3.15Å; W434-A436 VanDerWaalsContact C-N 3.27Å; W434-A436 PolarHBondContact O-N 2.87Å; W434-G437 PolarHBondContact O-N 2.92Å
435	S	84.6	Confident	88.4	Confident	8 Å²	8	59.6 Å²	59.6	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-26.6	179.4	81.2	0	0	0	0	113.5	S431 I432 G437 N440 S446	S431-S435 PolarHBondContact O-N 2.99Å; I432-S435 WeakPolarHBondContact O-CA 3.33Å; I432-S435 WeakPolarHBondContact O-CB 3.37Å; I432-S435 PolarHBondContact O-N 3.34Å; I432-S435 PolarHBondContact O-OG 3.44Å; S435-G437 VanDerWaalsContact C-N 3.26Å; S435-G437 PolarHBondContact O-N 3.49Å; S435-N440 CarbonylContact O-C 3.57Å; S435-S446 WeakPolarHBondContact O-CB 3.45Å; S435-S446 PolarHBondContact O-OG 2.88Å
436	A	80.4	Confident	88.1	Confident	21 Å²	21	56.9 Å²	56.9	17%	0.174	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-11.8	179.5	0	0	0	0	0	113.8	D409 I432 S433 W434 R441	D409-A436 HydrophobicContact CB-CB 4.11Å; I432-A436 PolarHBondContact O-N 2.94Å; S433-A436 PolarHBondContact O-N 3.38Å; W434-A436 VanDerWaalsContact C-N 3.27Å; W434-A436 PolarHBondContact O-N 2.87Å; A436-R441 PolarHBondContact O-NE 3.4Å
437	G	78.3	Confident	88	Confident	22 Å²	22	56.3 Å²	56.3	23%	0.227	29%	0.288	C	S	.	.	S	Bend	trans	-59.1	148.9	175.6	0	0	0	0	0	112.5	W434 S435 H439 N440 R441	W434-G437 PolarHBondContact O-N 2.92Å; S435-G437 VanDerWaalsContact C-N 3.26Å; S435-G437 PolarHBondContact O-N 3.49Å; G437-H439 PolarHBondContact O-N 3.26Å; G437-N440 PolarHBondContact O-N 2.99Å; G437-R441 WeakPolarHBondContact O-CB 3.33Å; G437-R441 PolarHBondContact O-N 2.96Å
438	L	79.6	Confident	87.9	Confident	102 Å²	102	59.9 Å²	59.9	53%	0.534	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.1	-170.6	-72.8	166.7	0	0	0	114.4	D368	D368-L438 HydrophobicContact CB-CD2 4.13Å
439	H	79.6	Confident	87.9	Confident	186 Å²	186	59.1 Å²	59.1	86%	0.861	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.8	-179.2	-63.4	-64.7	0	0	0	114.4	G437	G437-H439 PolarHBondContact O-N 3.26Å
440	N	83.2	Confident	88.1	Confident	91 Å²	91	58.3 Å²	58.3	49%	0.487	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	0.2	-173.1	-65.4	-38.3	0	0	0	113.7	S435 G437 Y442 T443 S446	S435-N440 CarbonylContact O-C 3.57Å; G437-N440 PolarHBondContact O-N 2.99Å; N440-Y442 VanDerWaalsContact C-N 3.32Å; N440-Y442 PolarHBondContact O-N 2.93Å; N440-T443 WeakPolarHBondContact O-CG2 3.4Å; N440-T443 PolarHBondContact O-OG1 3.36Å; N440-S446 WeakPolarHBondContact O-CB 3.33Å
441	R	84.7	Confident	88.5	Confident	22 Å²	22	56.5 Å²	56.5	8%	0.083	28%	0.283	C	S	.	.	S	Bend	trans	-58.6	-35.9	-171.1	-174.9	-179.8	-68.6	-178.2	-4.9	114.6	Y250 T367 D368 A436 G437 T443 S446	Y250-R441 WeakPolarHBondContact CE1-O 3.34Å; T367-R441 PolarHBondContact OG1-NH2 2.82Å; T367-R441 VanDerWaalsContact OG1-NH2 3.1Å; D368-R441 IonicContact OD1-CZ 3.04Å; D368-R441 IonicContact OD1-NH1 3.34Å; D368-R441 PolarHBondContact OD1-NH1 3.01Å; D368-R441 IonicContact OD1-NH2 3.83Å; D368-R441 PolarHBondContact OD1-NH2 3.29Å; D368-R441 IonicContact OD2-CZ 2.99Å; D368-R441 IonicContact OD2-NH1 2.77Å; D368-R441 PolarHBondContact OD2-NH1 3.17Å; D368-R441 IonicContact OD2-NH2 3.07Å; A436-R441 PolarHBondContact O-NE 3.4Å; G437-R441 WeakPolarHBondContact O-CB 3.33Å; G437-R441 PolarHBondContact O-N 2.96Å; R441-T443 PolarHBondContact O-N 2.93Å; R441-S446 VanDerWaalsContact O-CB 3.27Å; R441-S446 WeakPolarHBondContact O-CB 3.4Å; R441-S446 PolarHBondContact O-OG 3.36Å
442	Y	91.8	Very high	89.1	Confident	103 Å²	103	53.6 Å²	53.6	40%	0.404	26%	0.262	S	S	.	.	S	Bend	trans	-100.1	62.4	-176.5	-59.7	-57.7	0	0	0	110.4	R249 Y250 N440	R249-Y442 HydrophobicContact CB-CD1 4.43Å; R249-Y442 HydrophobicContact CG-CD1 3.86Å; R249-Y442 HydrophobicContact CG-CE1 4.36Å; R249-Y442 CarbonylContact O-C 3.52Å; R249-Y442 WeakPolarHBondContact O-CB 3.21Å; Y250-Y442 HydrophobicContact CD1-CD1 4.41Å; Y250-Y442 HydrophobicContact CD2-CD1 4.42Å; Y250-Y442 AromaticContact CE1-CD1 3.95Å; Y250-Y442 HydrophobicContact CE1-CD1 3.95Å; Y250-Y442 HydrophobicContact CE1-CE1 4.38Å; Y250-Y442 AromaticContact CE2-CD1 3.93Å; Y250-Y442 HydrophobicContact CE2-CD1 3.93Å; Y250-Y442 AromaticContact CE2-CE1 4Å; Y250-Y442 HydrophobicContact CE2-CE1 4Å; Y250-Y442 AromaticContact CZ-CD1 3.67Å; Y250-Y442 AromaticContact CZ-CE1 3.72Å; N440-Y442 VanDerWaalsContact C-N 3.32Å; N440-Y442 PolarHBondContact O-N 2.93Å
443	T	93.6	Very high	89.6	Confident	54 Å²	54	53.7 Å²	53.7	33%	0.331	26%	0.262	S	S	.	.	S	Bend	trans	-139.9	159.2	178.5	64.5	0	0	0	0	110.4	Y250 N440 R441 N445 S446 L447	Y250-T443 CarbonylContact O-C 3.59Å; N440-T443 WeakPolarHBondContact O-CG2 3.4Å; N440-T443 PolarHBondContact O-OG1 3.36Å; R441-T443 PolarHBondContact O-N 2.93Å; T443-N445 PolarHBondContact O-N 2.82Å; T443-S446 PolarHBondContact O-N 2.87Å; T443-S446 VanDerWaalsContact O-N 3.17Å; T443-S446 PolarHBondContact OG1-N 3.37Å; T443-L447 PolarHBondContact O-N 2.86Å
444	E	93.1	Very high	90.3	Very high	90 Å²	90	53.9 Å²	53.9	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-33.6	179.1	-66.8	-174.7	-173.7	0	0	112.2	Y250 A251 L447 R448	Y250-E444 VanDerWaalsContact O-CA 3.27Å; Y250-E444 WeakPolarHBondContact O-CA 3.42Å; Y250-E444 WeakPolarHBondContact O-CG 3.03Å; Y250-E444 PolarHBondContact O-N 3.02Å; A251-E444 HydrophobicContact CB-CG 3.74Å; E444-L447 WeakPolarHBondContact O-CB 3.39Å; E444-L447 PolarHBondContact O-N 2.92Å; E444-R448 WeakPolarHBondContact O-CG 3.5Å; E444-R448 PolarHBondContact O-N 3.01Å
445	N	93	Very high	91	Very high	100 Å²	100	47.8 Å²	47.8	54%	0.535	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-43.5	175.9	-172.7	72.9	0	0	0	111.7	T443 L447 R448 G449	T443-N445 PolarHBondContact O-N 2.82Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-R448 PolarHBondContact O-N 2.86Å; N445-G449 PolarHBondContact O-N 3.29Å
446	S	93.4	Very high	91.7	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-35.8	175.2	-174.3	0	0	0	0	111.9	S435 N440 R441 T443 G449 V450	S435-S446 WeakPolarHBondContact O-CB 3.45Å; S435-S446 PolarHBondContact O-OG 2.88Å; N440-S446 WeakPolarHBondContact O-CB 3.33Å; R441-S446 VanDerWaalsContact O-CB 3.27Å; R441-S446 WeakPolarHBondContact O-CB 3.4Å; R441-S446 PolarHBondContact O-OG 3.36Å; T443-S446 PolarHBondContact O-N 2.87Å; T443-S446 VanDerWaalsContact O-N 3.17Å; T443-S446 PolarHBondContact OG1-N 3.37Å; S446-G449 PolarHBondContact O-N 2.69Å; S446-V450 PolarHBondContact O-N 2.95Å
447	L	95.8	Very high	92.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-49.8	173.4	179.2	61.3	0	0	0	111.6	Y220 W248 Y250 A251 V258 T443 E444 N445 G449 V450 I451	Y220-L447 HydrophobicContact CD2-CD1 3.48Å; Y220-L447 VanDerWaalsContact CD2-CD1 3.48Å; Y220-L447 HydrophobicContact CE2-CD1 3.74Å; Y220-L447 HydrophobicContact CG-CD1 4.29Å; W248-L447 HydrophobicContact CE3-CD2 4.38Å; W248-L447 HydrophobicContact CH2-CD1 3.71Å; W248-L447 HydrophobicContact CH2-CD2 3.72Å; W248-L447 HydrophobicContact CH2-CG 4.38Å; W248-L447 HydrophobicContact CZ2-CD1 4.16Å; W248-L447 HydrophobicContact CZ3-CD1 4.44Å; W248-L447 HydrophobicContact CZ3-CD2 3.58Å; Y250-L447 HydrophobicContact CD1-CB 4.06Å; Y250-L447 HydrophobicContact CD1-CD1 4.2Å; Y250-L447 HydrophobicContact CG-CB 4.45Å; Y250-L447 HydrophobicContact CG-CD1 4.14Å; A251-L447 HydrophobicContact CB-CD2 4Å; V258-L447 HydrophobicContact CG1-CD2 3.82Å; V258-L447 HydrophobicContact CG1-CG 4.36Å; V258-L447 HydrophobicContact CG2-CD2 3.99Å; T443-L447 PolarHBondContact O-N 2.86Å; E444-L447 WeakPolarHBondContact O-CB 3.39Å; E444-L447 PolarHBondContact O-N 2.92Å; N445-L447 VanDerWaalsContact C-N 3.34Å; L447-G449 VanDerWaalsContact C-N 3.29Å; L447-G449 PolarHBondContact O-N 3.45Å; L447-V450 HydrophobicContact CD1-CG1 4.46Å; L447-V450 VanDerWaalsContact O-CG1 3.26Å; L447-V450 WeakPolarHBondContact O-CG1 3.36Å; L447-V450 PolarHBondContact O-N 3.07Å; L447-I451 HydrophobicContact CD1-CD1 3.89Å; L447-I451 HydrophobicContact CD1-CG1 4.29Å; L447-I451 HydrophobicContact CG-CD1 3.85Å; L447-I451 VanDerWaalsContact O-CG1 3.25Å; L447-I451 WeakPolarHBondContact O-CG1 3.46Å; L447-I451 PolarHBondContact O-N 3.02Å
448	R	95.7	Very high	93.5	Very high	84 Å²	84	45.5 Å²	45.5	32%	0.317	22%	0.221	S	C	.	.	H	α-helix	trans	-58.4	-44.4	175.7	-71.3	167.7	68.8	-169.8	7.6	111	W341 E345 E444 N445 I451 L452	W341-R448 HydrophobicContact CH2-CG 3.91Å; W341-R448 HydrophobicContact CZ3-CG 4.29Å; E345-R448 IonicContact OE1-CZ 2.73Å; E345-R448 VanDerWaalsContact OE1-CZ 3.22Å; E345-R448 IonicContact OE1-NE 3.65Å; E345-R448 PolarHBondContact OE1-NE 2.83Å; E345-R448 IonicContact OE1-NH2 2.8Å; E345-R448 PolarHBondContact OE1-NH2 2.76Å; E345-R448 IonicContact OE2-CZ 3.01Å; E345-R448 IonicContact OE2-NE 2.63Å; E345-R448 PolarHBondContact OE2-NE 3.1Å; E345-R448 IonicContact OE2-NH2 3.23Å; E345-R448 PolarHBondContact OE2-NH2 3.26Å; E444-R448 WeakPolarHBondContact O-CG 3.5Å; E444-R448 PolarHBondContact O-N 3.01Å; N445-R448 PolarHBondContact O-N 2.86Å; R448-I451 PolarHBondContact O-N 3.09Å; R448-L452 WeakPolarHBondContact O-CG 3.32Å; R448-L452 PolarHBondContact O-N 3.11Å
449	G	95.8	Very high	94.4	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-52.2	176.9	0	0	0	0	0	113.3	N445 S446 L447 I451 L452 D453	N445-G449 PolarHBondContact O-N 3.29Å; S446-G449 PolarHBondContact O-N 2.69Å; L447-G449 VanDerWaalsContact C-N 3.29Å; L447-G449 PolarHBondContact O-N 3.45Å; G449-I451 VanDerWaalsContact C-N 3.33Å; G449-I451 PolarHBondContact O-N 3.09Å; G449-L452 PolarHBondContact O-N 3.29Å; G449-D453 PolarHBondContact O-N 3.26Å
450	V	96.8	Very high	95.4	Very high	25 Å²	25	34.5 Å²	34.5	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-31.9	179.9	69.2	0	0	0	0	112.8	Y220 S446 L447 I454 V471	Y220-V450 HydrophobicContact CD1-CG1 3.96Å; Y220-V450 HydrophobicContact CD1-CG2 4.24Å; Y220-V450 HydrophobicContact CG-CG1 4.01Å; S446-V450 PolarHBondContact O-N 2.95Å; L447-V450 HydrophobicContact CD1-CG1 4.46Å; L447-V450 VanDerWaalsContact O-CG1 3.26Å; L447-V450 WeakPolarHBondContact O-CG1 3.36Å; L447-V450 PolarHBondContact O-N 3.07Å; V450-I454 HydrophobicContact CG2-CD1 3.94Å; V450-I454 HydrophobicContact CG2-CG1 4.41Å; V450-I454 WeakPolarHBondContact O-CB 3.24Å; V450-I454 VanDerWaalsContact O-CG1 3.26Å; V450-I454 WeakPolarHBondContact O-CG1 3.47Å; V450-I454 PolarHBondContact O-N 3.31Å; V450-V471 HydrophobicContact CG2-CG2 4.25Å
451	I	98.3	Very high	96.1	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-45	173.8	-70.3	168.2	0	0	0	110.5	Y220 V258 F259 L342 L447 R448 G449 I454 H455	Y220-I451 HydrophobicContact CE1-CG1 4.47Å; Y220-I451 HydrophobicContact CE2-CG1 4.35Å; V258-I451 HydrophobicContact CB-CD1 4.06Å; V258-I451 HydrophobicContact CG1-CD1 4.07Å; V258-I451 HydrophobicContact CG2-CD1 4.09Å; F259-I451 HydrophobicContact CE1-CD1 4.46Å; F259-I451 HydrophobicContact CE2-CD1 4.09Å; F259-I451 HydrophobicContact CZ-CD1 3.7Å; F259-I451 HydrophobicContact CZ-CG1 4.09Å; F259-I451 HydrophobicContact CZ-CG2 4.47Å; L342-I451 HydrophobicContact CD1-CG2 4.36Å; L342-I451 HydrophobicContact CD2-CG2 4.18Å; L447-I451 HydrophobicContact CD1-CD1 3.89Å; L447-I451 HydrophobicContact CD1-CG1 4.29Å; L447-I451 HydrophobicContact CG-CD1 3.85Å; L447-I451 VanDerWaalsContact O-CG1 3.25Å; L447-I451 WeakPolarHBondContact O-CG1 3.46Å; L447-I451 PolarHBondContact O-N 3.02Å; R448-I451 PolarHBondContact O-N 3.09Å; G449-I451 VanDerWaalsContact C-N 3.33Å; G449-I451 PolarHBondContact O-N 3.09Å; I451-I454 PolarHBondContact O-N 3.42Å; I451-H455 WeakPolarHBondContact O-CB 3.29Å; I451-H455 PolarHBondContact O-N 3.38Å
452	L	98.1	Very high	96.8	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.063	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.6	-72	171.7	0	0	0	111.7	E345 I346 A349 I432 R448 G449 I454 H455 F456	E345-L452 HydrophobicContact CG-CD1 4.44Å; I346-L452 HydrophobicContact CB-CD2 4.44Å; I346-L452 HydrophobicContact CG1-CD2 3.73Å; A349-L452 HydrophobicContact CB-CD2 4.15Å; I432-L452 HydrophobicContact CD1-CB 4.19Å; I432-L452 HydrophobicContact CD1-CD1 4.2Å; R448-L452 WeakPolarHBondContact O-CG 3.32Å; R448-L452 PolarHBondContact O-N 3.11Å; G449-L452 PolarHBondContact O-N 3.29Å; L452-I454 PolarHBondContact O-N 3.15Å; L452-H455 WeakPolarHBondContact O-CB 3.23Å; L452-H455 PolarHBondContact O-N 2.88Å; L452-F456 HydrophobicContact CB-CE2 4.39Å; L452-F456 HydrophobicContact CD2-CE2 4.3Å; L452-F456 WeakPolarHBondContact O-CD2 3.12Å; L452-F456 PolarHBondContact O-N 2.72Å
453	D	98.3	Very high	97.1	Very high	14 Å²	14	26.9 Å²	26.9	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-48.2	176.1	-86.8	-22	0	0	0	111.8	Y405 A407 I432 G449 H455 F456 L457	Y405-D453 PolarHBondContact OH-OD1 3.26Å; A407-D453 HydrophobicContact CB-CB 3.94Å; I432-D453 VanDerWaalsContact CG2-OD2 3.28Å; I432-D453 WeakPolarHBondContact CG2-OD2 3.3Å; G449-D453 PolarHBondContact O-N 3.26Å; D453-H455 VanDerWaalsContact C-N 3.3Å; D453-H455 PolarHBondContact O-N 3.35Å; D453-F456 PolarHBondContact O-N 3.38Å; D453-L457 WeakPolarHBondContact O-CB 3.36Å; D453-L457 WeakPolarHBondContact O-CD1 3.22Å; D453-L457 WeakPolarHBondContact O-CG 3.28Å; D453-L457 PolarHBondContact O-N 2.88Å
454	I	98.8	Very high	97.4	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-41.5	177	-74.3	170.2	0	0	0	111.1	Y220 V450 I451 L452 S458 V471 V474 A475 I478	Y220-I454 HydrophobicContact CD1-CD1 3.82Å; Y220-I454 HydrophobicContact CE1-CD1 3.58Å; V450-I454 HydrophobicContact CG2-CD1 3.94Å; V450-I454 HydrophobicContact CG2-CG1 4.41Å; V450-I454 WeakPolarHBondContact O-CB 3.24Å; V450-I454 VanDerWaalsContact O-CG1 3.26Å; V450-I454 WeakPolarHBondContact O-CG1 3.47Å; V450-I454 PolarHBondContact O-N 3.31Å; I451-I454 PolarHBondContact O-N 3.42Å; L452-I454 PolarHBondContact O-N 3.15Å; I454-S458 WeakPolarHBondContact O-CB 3.49Å; I454-S458 PolarHBondContact O-N 3.24Å; I454-S458 PolarHBondContact O-OG 3.11Å; I454-V471 HydrophobicContact CD1-CG1 4.09Å; I454-V471 HydrophobicContact CG1-CG1 3.68Å; I454-V474 HydrophobicContact CD1-CB 4.4Å; I454-V474 HydrophobicContact CD1-CG1 4.16Å; I454-V474 HydrophobicContact CG2-CG1 3.74Å; I454-A475 HydrophobicContact CG2-CB 4.34Å; I454-I478 HydrophobicContact CG2-CD1 3.46Å; I454-I478 VanDerWaalsContact CG2-CD1 3.46Å
455	H	98.7	Very high	97.6	Very high	44 Å²	44	20 Å²	20	20%	0.204	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-55.4	177.2	175.9	82.8	0	0	0	111.1	I346 I451 L452 D453 L457 S458 Q459	I346-H455 VanDerWaalsContact CG2-NE2 3.29Å; I346-H455 WeakPolarHBondContact CG2-NE2 3.37Å; I451-H455 WeakPolarHBondContact O-CB 3.29Å; I451-H455 PolarHBondContact O-N 3.38Å; L452-H455 WeakPolarHBondContact O-CB 3.23Å; L452-H455 PolarHBondContact O-N 2.88Å; D453-H455 VanDerWaalsContact C-N 3.3Å; D453-H455 PolarHBondContact O-N 3.35Å; H455-L457 PolarHBondContact O-N 3.37Å; H455-S458 PolarHBondContact O-N 2.86Å; H455-S458 VanDerWaalsContact O-N 3.11Å; H455-S458 PolarHBondContact O-OG 3.47Å; H455-Q459 VanDerWaalsContact O-CG 3.3Å; H455-Q459 WeakPolarHBondContact O-CG 3.39Å; H455-Q459 PolarHBondContact O-N 3.21Å
456	F	98.7	Very high	97.8	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.009	7%	0.073	C	C	.	.	H	α-helix	trans	-68.4	-32.1	-177.5	-69.8	-58.9	0	0	0	113.6	A349 T350 L353 F355 Y405 L452 D453 S458 Q459 A460	A349-F456 HydrophobicContact CB-CE2 4.09Å; A349-F456 HydrophobicContact CB-CZ 3.93Å; T350-F456 HydrophobicContact CG2-CE1 4.48Å; T350-F456 WeakPolarHBondContact OG1-CE1 3.33Å; L353-F456 HydrophobicContact CD1-CD2 4.25Å; L353-F456 HydrophobicContact CD1-CE2 3.74Å; L353-F456 HydrophobicContact CD1-CZ 4.12Å; F355-F456 HydrophobicContact CB-CD1 4.3Å; F355-F456 HydrophobicContact CB-CE1 4.15Å; F355-F456 HydrophobicContact CD1-CD1 4.22Å; F355-F456 HydrophobicContact CD2-CB 4.31Å; F355-F456 AromaticContact CD2-CD1 3.6Å; F355-F456 HydrophobicContact CD2-CD1 3.6Å; F355-F456 HydrophobicContact CD2-CE1 4.29Å; F355-F456 HydrophobicContact CD2-CG 4.21Å; F355-F456 HydrophobicContact CE1-CD1 4.47Å; F355-F456 HydrophobicContact CE2-CB 3.97Å; F355-F456 AromaticContact CE2-CD1 3.88Å; F355-F456 HydrophobicContact CE2-CD1 3.88Å; F355-F456 HydrophobicContact CE2-CG 4.32Å; F355-F456 AromaticContact CG-CD1 3.78Å; F355-F456 HydrophobicContact CG-CD1 3.78Å; F355-F456 HydrophobicContact CG-CE1 4.09Å; F355-F456 HydrophobicContact CZ-CD1 4.3Å; Y405-F456 HydrophobicContact CD1-CB 3.75Å; Y405-F456 HydrophobicContact CD2-CB 3.64Å; Y405-F456 HydrophobicContact CD2-CG 4.14Å; Y405-F456 HydrophobicContact CE1-CB 3.54Å; Y405-F456 HydrophobicContact CE1-CG 4.5Å; Y405-F456 HydrophobicContact CE2-CB 3.41Å; Y405-F456 VanDerWaalsContact CE2-CB 3.41Å; Y405-F456 AromaticContact CE2-CD2 3.62Å; Y405-F456 HydrophobicContact CE2-CD2 3.62Å; Y405-F456 AromaticContact CE2-CG 3.64Å; Y405-F456 HydrophobicContact CE2-CG 3.64Å; Y405-F456 HydrophobicContact CG-CB 3.81Å; Y405-F456 AromaticContact CZ-CD2 3.67Å; Y405-F456 AromaticContact CZ-CG 3.87Å; Y405-F456 WeakPolarHBondContact OH-CD2 3.4Å; L452-F456 HydrophobicContact CB-CE2 4.39Å; L452-F456 HydrophobicContact CD2-CE2 4.3Å; L452-F456 WeakPolarHBondContact O-CD2 3.12Å; L452-F456 PolarHBondContact O-N 2.72Å; D453-F456 PolarHBondContact O-N 3.38Å; F456-S458 VanDerWaalsContact C-N 3.35Å; F456-Q459 PolarHBondContact O-N 3.15Å; F456-A460 PolarHBondContact O-N 3.28Å
457	L	98.8	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-42.7	169.8	-71.5	168.9	0	0	0	111.5	H363 Y405 A407 D453 H455 Q459 A460 L463 A475	H363-L457 HydrophobicContact CB-CD1 3.81Å; H363-L457 HydrophobicContact CB-CD2 4.02Å; Y405-L457 HydrophobicContact CD1-CD2 4.03Å; Y405-L457 HydrophobicContact CD1-CG 4.14Å; Y405-L457 HydrophobicContact CE1-CG 4.28Å; A407-L457 HydrophobicContact CB-CD1 3.74Å; A407-L457 HydrophobicContact CB-CD2 4.08Å; A407-L457 HydrophobicContact CB-CG 4.03Å; D453-L457 WeakPolarHBondContact O-CB 3.36Å; D453-L457 WeakPolarHBondContact O-CD1 3.22Å; D453-L457 WeakPolarHBondContact O-CG 3.28Å; D453-L457 PolarHBondContact O-N 2.88Å; H455-L457 PolarHBondContact O-N 3.37Å; L457-Q459 VanDerWaalsContact C-N 3.31Å; L457-Q459 PolarHBondContact O-N 2.99Å; L457-A460 WeakPolarHBondContact O-CB 3.29Å; L457-A460 PolarHBondContact O-N 3.44Å; L457-L463 HydrophobicContact CB-CD1 4.13Å; L457-L463 HydrophobicContact CD2-CD1 3.87Å; L457-A475 HydrophobicContact CB-CB 3.63Å; L457-A475 HydrophobicContact CD1-CB 4.31Å
458	S	98.8	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.9	-29.2	-179.6	73.3	0	0	0	0	113.3	I454 H455 F456 A460 A475 I478 L482	I454-S458 WeakPolarHBondContact O-CB 3.49Å; I454-S458 PolarHBondContact O-N 3.24Å; I454-S458 PolarHBondContact O-OG 3.11Å; H455-S458 PolarHBondContact O-N 2.86Å; H455-S458 VanDerWaalsContact O-N 3.11Å; H455-S458 PolarHBondContact O-OG 3.47Å; F456-S458 VanDerWaalsContact C-N 3.35Å; S458-A460 VanDerWaalsContact C-N 3.31Å; S458-A475 WeakPolarHBondContact CB-O 3.45Å; S458-I478 WeakPolarHBondContact OG-CG2 3.44Å; S458-L482 VanDerWaalsContact O-CD1 3.31Å; S458-L482 WeakPolarHBondContact O-CD1 3.16Å
459	Q	98.7	Very high	98.1	Very high	58 Å²	58	11.2 Å²	11.2	27%	0.271	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.2	178.1	-67.2	-71.8	-16.8	0	0	113.1	F355 H357 H455 F456 L457 L482	F355-Q459 HydrophobicContact CE1-CB 3.96Å; F355-Q459 HydrophobicContact CZ-CB 3.93Å; H357-Q459 PolarHBondContact CE1-O 2.96Å; H455-Q459 VanDerWaalsContact O-CG 3.3Å; H455-Q459 WeakPolarHBondContact O-CG 3.39Å; H455-Q459 PolarHBondContact O-N 3.21Å; F456-Q459 PolarHBondContact O-N 3.15Å; L457-Q459 VanDerWaalsContact C-N 3.31Å; L457-Q459 PolarHBondContact O-N 2.99Å; Q459-L482 HydrophobicContact CG-CD1 4.37Å
460	A	98.7	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-71	154.6	-178.5	0	0	0	0	0	112.4	V359 F456 L457 S458 F462 M479	V359-A460 HydrophobicContact CG1-CB 4.48Å; F456-A460 PolarHBondContact O-N 3.28Å; L457-A460 WeakPolarHBondContact O-CB 3.29Å; L457-A460 PolarHBondContact O-N 3.44Å; S458-A460 VanDerWaalsContact C-N 3.31Å; A460-F462 PolarHBondContact O-N 2.86Å; A460-M479 WeakPolarHBondContact O-CE 3.24Å
461	D	98.7	Very high	98.2	Very high	36 Å²	36	12.9 Å²	12.9	19%	0.193	6%	0.064	C	C	.	.	S	Bend	trans	-69.4	-21.8	179.3	-57.8	-77	0	0	0	112.6	H357 P358 V359 N489	H357-D461 IonicContact CE1-OD1 2.7Å; H357-D461 IonicContact CG-OD1 2.74Å; H357-D461 IonicContact CG-OD2 2.7Å; H357-D461 VanDerWaalsContact ND1-CG 3.33Å; H357-D461 IonicContact ND1-OD1 3.77Å; H357-D461 PolarHBondContact ND1-OD1 2.74Å; H357-D461 IonicContact ND1-OD2 3.6Å; H357-D461 PolarHBondContact ND1-OD2 3.48Å; P358-D461 WeakPolarHBondContact CA-OD2 3.44Å; V359-D461 PolarHBondContact N-OD2 2.77Å; V359-D461 PolarHBondContact O-N 2.87Å; D461-N489 PolarHBondContact O-ND2 3.3Å
462	F	98.9	Very high	98.3	Very high	19 Å²	19	12.3 Å²	12.3	8%	0.083	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.9	177.7	-164.1	-107.2	0	0	0	110.2	I360 G361 H389 A460 V464 N489 F490 H491	I360-F462 HydrophobicContact CG1-CB 4.22Å; I360-F462 HydrophobicContact CG2-CB 4.3Å; I360-F462 HydrophobicContact CG2-CD1 4.37Å; G361-F462 PolarHBondContact N-O 3.21Å; H389-F462 HydrophobicContact CB-CD1 4.1Å; H389-F462 HydrophobicContact CB-CE1 4.33Å; H389-F462 HydrophobicContact CB-CG 4.49Å; H389-F462 AromaticContact CD2-CG 3.7Å; H389-F462 AromaticContact CE1-CD2 3.19Å; H389-F462 WeakPolarHBondContact CE1-CD2 3.34Å; H389-F462 AromaticContact CE1-CE2 3.61Å; H389-F462 AromaticContact CE1-CG 3.6Å; H389-F462 AromaticContact CG-CD1 3.76Å; H389-F462 AromaticContact CG-CG 3.67Å; H389-F462 AromaticContact ND1-CD1 3.88Å; H389-F462 AromaticContact ND1-CD2 3.45Å; H389-F462 WeakPolarHBondContact ND1-CD2 3.27Å; H389-F462 AromaticContact ND1-CE1 3.97Å; H389-F462 AromaticContact ND1-CE2 3.56Å; H389-F462 AromaticContact ND1-CG 3.62Å; H389-F462 AromaticContact ND1-CZ 3.81Å; H389-F462 AromaticContact NE2-CD2 3.66Å; H389-F462 AromaticContact NE2-CG 3.69Å; A460-F462 PolarHBondContact O-N 2.86Å; F462-V464 HydrophobicContact CD1-CG2 3.88Å; F462-V464 HydrophobicContact CE1-CG2 3.9Å; F462-N489 HydrophobicContact CD2-CB 4.23Å; F462-N489 VanDerWaalsContact CE2-C 3.4Å; F462-F490 VanDerWaalsContact CZ-O 3.24Å; F462-F490 WeakPolarHBondContact CZ-O 3.45Å; F462-H491 HydrophobicContact CE1-CB 3.92Å; F462-H491 HydrophobicContact CZ-CB 4.07Å
463	L	98.9	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.9	-176.8	-175.1	60.8	0	0	0	112.2	G361 L457 C472 A475 M479 N489 F490 H491	G361-L463 CarbonylContact O-C 3.07Å; G361-L463 WeakPolarHBondContact O-CA 3.37Å; L457-L463 HydrophobicContact CB-CD1 4.13Å; L457-L463 HydrophobicContact CD2-CD1 3.87Å; L463-C472 WeakPolarHBondContact CD2-SG 3.25Å; L463-A475 HydrophobicContact CD2-CB 4.35Å; L463-M479 HydrophobicContact CB-CE 3.89Å; L463-M479 HydrophobicContact CD2-CE 4.47Å; L463-N489 PolarHBondContact N-O 2.04Å; L463-F490 HydrophobicContact CB-CB 4.3Å; L463-F490 CarbonylContact O-C 3.09Å; L463-F490 WeakPolarHBondContact O-CA 3.43Å; L463-H491 PolarHBondContact O-N 3.27Å
464	V	98.9	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.8	174	-173.1	0	0	0	0	109.7	I360 G361 V362 H363 Y382 H385 V386 F462 H491	I360-V464 HydrophobicContact CG2-CG2 4.1Å; G361-V464 PolarHBondContact O-N 2.85Å; V362-V464 WeakPolarHBondContact CA-O 3.33Å; V362-V464 HydrophobicContact CG2-CB 4.41Å; H363-V464 PolarHBondContact N-O 3.24Å; H363-V464 VanDerWaalsContact N-O 3.07Å; Y382-V464 HydrophobicContact CD1-CG1 4.08Å; H385-V464 HydrophobicContact CB-CG1 4.12Å; H385-V464 HydrophobicContact CB-CG2 4.14Å; V386-V464 HydrophobicContact CG2-CB 4.33Å; V386-V464 HydrophobicContact CG2-CG2 3.95Å; F462-V464 HydrophobicContact CD1-CG2 3.88Å; F462-V464 HydrophobicContact CE1-CG2 3.9Å; V464-H491 WeakPolarHBondContact CA-O 3.4Å
465	C	98.5	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	-168.4	-174.4	73.1	0	0	0	0	112.9	H363 F467 C472 H491 S492 L493	H363-C465 HydrophobicContact CB-CB 3.95Å; C465-F467 VanDerWaalsContact SG-CD1 3.52Å; C465-C472 HydrophobicContact CB-CB 3.65Å; C465-C472 WeakPolarHBondContact CB-SG 3.44Å; C465-C472 WeakPolarHBondContact SG-CB 3.39Å; C465-C472 CovalentContact SG-SG 1.99Å; C465-C472 PolarHBondContact SG-SG 3.09Å; C465-H491 PolarHBondContact N-O 3.42Å; C465-H491 VanDerWaalsContact N-O 3.13Å; C465-S492 CarbonylContact O-C 3.57Å; C465-S492 VanDerWaalsContact O-CA 3.27Å; C465-S492 WeakPolarHBondContact O-CA 2.99Å; C465-L493 PolarHBondContact O-N 3.05Å
466	T	97.8	Very high	98.3	Very high	2 Å²	2	9 Å²	9	1%	0.012	5%	0.045	C	C	.	.			trans	-106	121	162.5	46.9	0	0	0	0	110.7	S468 S469 L493 D494	T466-S468 PolarHBondContact O-N 3.37Å; T466-S469 WeakPolarHBondContact O-CB 3.4Å; T466-S469 PolarHBondContact O-N 3.02Å; T466-S469 VanDerWaalsContact O-N 3.12Å; T466-L493 HydrophobicContact CG2-CB 4.1Å; T466-D494 VanDerWaalsContact C-OD1 3.31Å; T466-D494 VanDerWaalsContact CA-OD1 3.23Å; T466-D494 WeakPolarHBondContact CA-OD1 3.45Å; T466-D494 WeakPolarHBondContact CB-OD1 3.39Å; T466-D494 VanDerWaalsContact CB-OD2 3.24Å; T466-D494 WeakPolarHBondContact CB-OD2 3.04Å; T466-D494 WeakPolarHBondContact CG2-OD2 3.23Å
467	F	98.3	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.9	174.5	-82.7	-4.8	0	0	0	113.4	C465 S469 C472 R473 Y476 F490 S492 D494 D495 Y498	C465-F467 VanDerWaalsContact SG-CD1 3.52Å; F467-S469 PolarHBondContact O-N 2.99Å; F467-C472 HydrophobicContact CD1-CB 4.33Å; F467-R473 HydrophobicContact CB-CG 4.29Å; F467-R473 HydrophobicContact CD1-CG 4.2Å; F467-R473 HydrophobicContact CG-CG 4.3Å; F467-R473 VanDerWaalsContact O-CD 3.26Å; F467-R473 WeakPolarHBondContact O-CD 3.44Å; F467-R473 WeakPolarHBondContact O-CG 3.44Å; F467-R473 PolarHBondContact O-NH1 2.92Å; F467-Y476 HydrophobicContact CE1-CD1 4.45Å; F467-Y476 HydrophobicContact CE1-CG 4.16Å; F467-Y476 HydrophobicContact CE2-CD1 4.33Å; F467-Y476 HydrophobicContact CE2-CE1 4.4Å; F467-Y476 AromaticContact CZ-CD1 3.75Å; F467-Y476 HydrophobicContact CZ-CD1 3.75Å; F467-Y476 HydrophobicContact CZ-CD2 4.02Å; F467-Y476 HydrophobicContact CZ-CE1 4.15Å; F467-Y476 HydrophobicContact CZ-CE2 4.41Å; F467-Y476 AromaticContact CZ-CG 3.66Å; F467-Y476 HydrophobicContact CZ-CG 3.66Å; F467-F490 HydrophobicContact CD2-CD2 4.17Å; F467-F490 AromaticContact CD2-CE2 3.89Å; F467-F490 HydrophobicContact CD2-CE2 3.89Å; F467-F490 HydrophobicContact CE1-CD2 4.16Å; F467-F490 HydrophobicContact CE1-CG 4.44Å; F467-F490 HydrophobicContact CE2-CD1 4.26Å; F467-F490 AromaticContact CE2-CD2 3.33Å; F467-F490 HydrophobicContact CE2-CD2 3.33Å; F467-F490 HydrophobicContact CE2-CE1 4.14Å; F467-F490 AromaticContact CE2-CE2 3.21Å; F467-F490 HydrophobicContact CE2-CE2 3.21Å; F467-F490 AromaticContact CE2-CG 3.88Å; F467-F490 HydrophobicContact CE2-CG 3.88Å; F467-F490 AromaticContact CE2-CZ 3.64Å; F467-F490 HydrophobicContact CE2-CZ 3.64Å; F467-F490 HydrophobicContact CZ-CB 4.02Å; F467-F490 HydrophobicContact CZ-CD1 4.09Å; F467-F490 AromaticContact CZ-CD2 3.32Å; F467-F490 HydrophobicContact CZ-CD2 3.32Å; F467-F490 HydrophobicContact CZ-CE1 4.42Å; F467-F490 AromaticContact CZ-CE2 3.76Å; F467-F490 HydrophobicContact CZ-CE2 3.76Å; F467-F490 AromaticContact CZ-CG 3.52Å; F467-F490 HydrophobicContact CZ-CG 3.52Å; F467-F490 HydrophobicContact CZ-CZ 4.28Å; F467-S492 WeakPolarHBondContact CB-OG 3.44Å; F467-S492 PolarHBondContact N-OG 2.96Å; F467-S492 VanDerWaalsContact N-OG 3.08Å; F467-D494 PolarHBondContact N-OD1 3.44Å; F467-D495 HydrophobicContact CB-CB 4.19Å; F467-D495 WeakPolarHBondContact CB-O 3.37Å; F467-Y498 WeakPolarHBondContact O-CE1 3.48Å
468	S	95.4	Very high	98.4	Very high	4 Å²	4	9.7 Å²	9.7	3%	0.028	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.1	161	61.8	0	0	0	0	112.5	T466 R473 D494 D495 Y498	T466-S468 PolarHBondContact O-N 3.37Å; S468-R473 VanDerWaalsContact C-NH1 3.29Å; S468-R473 PolarHBondContact O-NH1 3.33Å; S468-D494 WeakPolarHBondContact CB-OD2 3.2Å; S468-D494 PolarHBondContact N-OD1 2.85Å; S468-D494 VanDerWaalsContact N-OD1 3.14Å; S468-D494 PolarHBondContact OG-OD2 2.9Å; S468-D495 VanDerWaalsContact CA-OD2 3.32Å; S468-D495 WeakPolarHBondContact CA-OD2 3.29Å; S468-D495 WeakPolarHBondContact CB-OD2 3.38Å; S468-Y498 PolarHBondContact O-OH 2.94Å
469	S	97.1	Very high	98.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.007	5%	0.048	C	C	.	.	S	Bend	trans	-80.8	125	176.2	-176.7	0	0	0	0	113.1	H363 T466 F467 V471 C472 R473	H363-S469 PolarHBondContact CE1-OG 3.43Å; H363-S469 VanDerWaalsContact CE1-OG 3.23Å; T466-S469 WeakPolarHBondContact O-CB 3.4Å; T466-S469 PolarHBondContact O-N 3.02Å; T466-S469 VanDerWaalsContact O-N 3.12Å; F467-S469 PolarHBondContact O-N 2.99Å; S469-V471 PolarHBondContact O-N 3.41Å; S469-V471 PolarHBondContact OG-N 2.9Å; S469-C472 PolarHBondContact O-N 3.4Å; S469-R473 VanDerWaalsContact C-NH1 3.33Å; S469-R473 PolarHBondContact O-N 2.74Å; S469-R473 PolarHBondContact O-NH1 3.41Å
470	Q	97.4	Very high	98.4	Very high	39 Å²	39	7 Å²	7	18%	0.182	4%	0.036	C	C	.	.	H	α-helix	trans	-60.5	-31.2	174.2	-61.1	78.4	21.2	0	0	112.4	C222 C472 R473 V474	C222-Q470 HydrophobicContact CB-CG 4.08Å; Q470-C472 VanDerWaalsContact C-N 3.34Å; Q470-C472 PolarHBondContact O-N 2.92Å; Q470-R473 PolarHBondContact O-N 3.33Å; Q470-V474 VanDerWaalsContact O-CG2 3.27Å; Q470-V474 WeakPolarHBondContact O-CG2 3.38Å; Q470-V474 PolarHBondContact O-N 2.93Å
471	V	97.6	Very high	98.4	Very high	23 Å²	23	8.1 Å²	8.1	14%	0.139	4%	0.043	C	C	.	.	H	α-helix	trans	-60.3	-46.3	179.1	174.7	0	0	0	0	110.5	V450 I454 S469 V474 A475	V450-V471 HydrophobicContact CG2-CG2 4.25Å; I454-V471 HydrophobicContact CD1-CG1 4.09Å; I454-V471 HydrophobicContact CG1-CG1 3.68Å; S469-V471 PolarHBondContact O-N 3.41Å; S469-V471 PolarHBondContact OG-N 2.9Å; V471-V474 PolarHBondContact O-N 2.95Å; V471-A475 PolarHBondContact O-N 3.3Å; V471-A475 VanDerWaalsContact O-N 3.09Å
472	C	98.6	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.8	-41.1	179.4	-169.6	0	0	0	0	111.8	L463 C465 F467 S469 Q470 V474 A475 Y476	L463-C472 WeakPolarHBondContact CD2-SG 3.25Å; C465-C472 HydrophobicContact CB-CB 3.65Å; C465-C472 WeakPolarHBondContact CB-SG 3.44Å; C465-C472 WeakPolarHBondContact SG-CB 3.39Å; C465-C472 CovalentContact SG-SG 1.99Å; C465-C472 PolarHBondContact SG-SG 3.09Å; F467-C472 HydrophobicContact CD1-CB 4.33Å; S469-C472 PolarHBondContact O-N 3.4Å; Q470-C472 VanDerWaalsContact C-N 3.34Å; Q470-C472 PolarHBondContact O-N 2.92Å; C472-V474 VanDerWaalsContact C-N 3.31Å; C472-V474 PolarHBondContact O-N 2.88Å; C472-A475 PolarHBondContact O-N 3.33Å; C472-Y476 WeakPolarHBondContact O-CB 3.39Å; C472-Y476 PolarHBondContact O-N 3.01Å
473	R	98.8	Very high	98.3	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.015	6%	0.06	C	C	.	.	H	α-helix	trans	-60.8	-40.2	177	-62.7	-161.5	-57.2	-85.2	17.5	112.3	F467 S468 S469 Q470 Y476 E477 Y497 Y498	F467-R473 HydrophobicContact CB-CG 4.29Å; F467-R473 HydrophobicContact CD1-CG 4.2Å; F467-R473 HydrophobicContact CG-CG 4.3Å; F467-R473 VanDerWaalsContact O-CD 3.26Å; F467-R473 WeakPolarHBondContact O-CD 3.44Å; F467-R473 WeakPolarHBondContact O-CG 3.44Å; F467-R473 PolarHBondContact O-NH1 2.92Å; S468-R473 VanDerWaalsContact C-NH1 3.29Å; S468-R473 PolarHBondContact O-NH1 3.33Å; S469-R473 VanDerWaalsContact C-NH1 3.33Å; S469-R473 PolarHBondContact O-N 2.74Å; S469-R473 PolarHBondContact O-NH1 3.41Å; Q470-R473 PolarHBondContact O-N 3.33Å; R473-Y476 PolarHBondContact O-N 2.77Å; R473-E477 WeakPolarHBondContact O-CB 3.3Å; R473-E477 VanDerWaalsContact O-CD 3.28Å; R473-E477 WeakPolarHBondContact O-CG 3.4Å; R473-E477 PolarHBondContact O-N 3.46Å; R473-Y497 HydrophobicContact CB-CE2 4.46Å; R473-Y498 WeakPolarHBondContact CD-O 3.22Å; R473-Y498 PolarHBondContact NE-O 3.02Å; R473-Y498 PolarHBondContact NH1-OH 3.35Å; R473-Y498 VanDerWaalsContact NH1-OH 3.08Å; R473-Y498 VanDerWaalsContact NH2-CE2 3.28Å; R473-Y498 VanDerWaalsContact NH2-CZ 3.35Å; R473-Y498 PolarHBondContact NH2-OH 3.48Å
474	V	98.9	Very high	98.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.2	-44.2	174.6	172.9	0	0	0	0	111.3	L224 I454 Q470 V471 C472 Y476 E477 I478	L224-V474 HydrophobicContact CD2-CG1 3.66Å; L224-V474 HydrophobicContact CD2-CG2 4.14Å; I454-V474 HydrophobicContact CD1-CB 4.4Å; I454-V474 HydrophobicContact CD1-CG1 4.16Å; I454-V474 HydrophobicContact CG2-CG1 3.74Å; Q470-V474 VanDerWaalsContact O-CG2 3.27Å; Q470-V474 WeakPolarHBondContact O-CG2 3.38Å; Q470-V474 PolarHBondContact O-N 2.93Å; V471-V474 PolarHBondContact O-N 2.95Å; C472-V474 VanDerWaalsContact C-N 3.31Å; C472-V474 PolarHBondContact O-N 2.88Å; V474-Y476 VanDerWaalsContact C-N 3.32Å; V474-Y476 PolarHBondContact O-N 3.43Å; V474-E477 PolarHBondContact O-N 3.04Å; V474-I478 HydrophobicContact CG1-CD1 3.83Å; V474-I478 HydrophobicContact CG1-CG1 4.46Å; V474-I478 VanDerWaalsContact O-CG1 3.27Å; V474-I478 WeakPolarHBondContact O-CG1 3.24Å; V474-I478 PolarHBondContact O-N 3.26Å
475	A	98.9	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-42.9	176.3	0	0	0	0	0	111.7	I454 L457 S458 L463 V471 C472 I478 M479	I454-A475 HydrophobicContact CG2-CB 4.34Å; L457-A475 HydrophobicContact CB-CB 3.63Å; L457-A475 HydrophobicContact CD1-CB 4.31Å; S458-A475 WeakPolarHBondContact CB-O 3.45Å; L463-A475 HydrophobicContact CD2-CB 4.35Å; V471-A475 PolarHBondContact O-N 3.3Å; V471-A475 VanDerWaalsContact O-N 3.09Å; C472-A475 PolarHBondContact O-N 3.33Å; A475-I478 PolarHBondContact O-N 3.36Å; A475-M479 WeakPolarHBondContact O-CB 3.39Å; A475-M479 PolarHBondContact O-N 3.39Å
476	Y	98.9	Very high	98.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-41.6	175.3	175.9	-113.9	0	0	0	112.6	V325 F467 C472 R473 V474 M479 Q480 S487 F490 Y497	V325-Y476 HydrophobicContact CB-CE1 4.23Å; V325-Y476 HydrophobicContact CG1-CE1 4.16Å; V325-Y476 HydrophobicContact CG2-CD1 3.93Å; V325-Y476 HydrophobicContact CG2-CE1 3.69Å; F467-Y476 HydrophobicContact CE1-CD1 4.45Å; F467-Y476 HydrophobicContact CE1-CG 4.16Å; F467-Y476 HydrophobicContact CE2-CD1 4.33Å; F467-Y476 HydrophobicContact CE2-CE1 4.4Å; F467-Y476 AromaticContact CZ-CD1 3.75Å; F467-Y476 HydrophobicContact CZ-CD1 3.75Å; F467-Y476 HydrophobicContact CZ-CD2 4.02Å; F467-Y476 HydrophobicContact CZ-CE1 4.15Å; F467-Y476 HydrophobicContact CZ-CE2 4.41Å; F467-Y476 AromaticContact CZ-CG 3.66Å; F467-Y476 HydrophobicContact CZ-CG 3.66Å; C472-Y476 WeakPolarHBondContact O-CB 3.39Å; C472-Y476 PolarHBondContact O-N 3.01Å; R473-Y476 PolarHBondContact O-N 2.77Å; V474-Y476 VanDerWaalsContact C-N 3.32Å; V474-Y476 PolarHBondContact O-N 3.43Å; Y476-M479 WeakPolarHBondContact O-CB 3.29Å; Y476-M479 PolarHBondContact O-N 3.42Å; Y476-Q480 WeakPolarHBondContact O-CG 3.5Å; Y476-Q480 PolarHBondContact O-N 2.94Å; Y476-Q480 PolarHBondContact O-NE2 3.14Å; Y476-S487 WeakPolarHBondContact OH-CA 3.2Å; Y476-S487 PolarHBondContact OH-O 3.3Å; Y476-F490 HydrophobicContact CD2-CB 4.24Å; Y476-F490 HydrophobicContact CD2-CD1 4.17Å; Y476-F490 HydrophobicContact CD2-CG 4.41Å; Y476-F490 HydrophobicContact CE2-CB 4.3Å; Y476-F490 AromaticContact CE2-CD1 3.45Å; Y476-F490 HydrophobicContact CE2-CD1 3.45Å; Y476-F490 VanDerWaalsContact CE2-CD1 3.45Å; Y476-F490 HydrophobicContact CE2-CE1 4.11Å; Y476-F490 HydrophobicContact CE2-CG 4.13Å; Y476-F490 AromaticContact CZ-CD1 3.8Å; Y476-F490 AromaticContact CZ-CE1 3.97Å; Y476-Y497 AromaticContact CD1-CD2 3.76Å; Y476-Y497 HydrophobicContact CD1-CD2 3.76Å; Y476-Y497 HydrophobicContact CD1-CE2 4.16Å; Y476-Y497 AromaticContact CE1-CD2 3.83Å; Y476-Y497 HydrophobicContact CE1-CD2 3.83Å; Y476-Y497 HydrophobicContact CE1-CE2 4.43Å; Y476-Y497 HydrophobicContact CE1-CG 4.14Å
477	E	98.9	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-46.1	174.7	-74	155	-175	0	0	111.1	H225 V325 V328 S329 V332 R473 V474 M479 Q480 Y497	H225-E477 IonicContact CD2-OE1 3.04Å; H225-E477 IonicContact CD2-OE2 3.26Å; H225-E477 PolarHBondContact CD2-OE2 3.4Å; H225-E477 IonicContact CE1-OE1 3.99Å; H225-E477 IonicContact CE1-OE2 3.94Å; H225-E477 VanDerWaalsContact NE2-CD 3.27Å; H225-E477 IonicContact NE2-OE1 3.87Å; H225-E477 PolarHBondContact NE2-OE1 2.92Å; H225-E477 IonicContact NE2-OE2 2.69Å; H225-E477 PolarHBondContact NE2-OE2 2.95Å; V325-E477 HydrophobicContact CG2-CB 4.46Å; V325-E477 HydrophobicContact CG2-CG 3.75Å; V328-E477 HydrophobicContact CG1-CG 4.12Å; S329-E477 WeakPolarHBondContact CB-O 3.44Å; V332-E477 HydrophobicContact CG2-CB 4.39Å; R473-E477 WeakPolarHBondContact O-CB 3.3Å; R473-E477 VanDerWaalsContact O-CD 3.28Å; R473-E477 WeakPolarHBondContact O-CG 3.4Å; R473-E477 PolarHBondContact O-N 3.46Å; V474-E477 PolarHBondContact O-N 3.04Å; E477-M479 VanDerWaalsContact C-N 3.3Å; E477-M479 PolarHBondContact O-N 2.89Å; E477-Q480 WeakPolarHBondContact O-CB 2.95Å; E477-Q480 PolarHBondContact O-N 2.8Å; E477-Y497 HydrophobicContact CG-CE2 4.05Å; E477-Y497 WeakPolarHBondContact OE1-CE2 3.31Å; E477-Y497 PolarHBondContact OE1-OH 3.4Å
478	I	98.9	Very high	98.3	Very high	15 Å²	15	20.3 Å²	20.3	8%	0.077	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-40.2	177.5	-64.9	164.6	0	0	0	111	V332 I336 I454 S458 V474 A475 Q480 T481	V332-I478 HydrophobicContact CG1-CD1 4.26Å; V332-I478 HydrophobicContact CG1-CG1 3.6Å; I336-I478 HydrophobicContact CD1-CD1 3.51Å; I336-I478 HydrophobicContact CD1-CG1 3.67Å; I336-I478 HydrophobicContact CD1-CG2 4.24Å; I454-I478 HydrophobicContact CG2-CD1 3.46Å; I454-I478 VanDerWaalsContact CG2-CD1 3.46Å; S458-I478 WeakPolarHBondContact OG-CG2 3.44Å; V474-I478 HydrophobicContact CG1-CD1 3.83Å; V474-I478 HydrophobicContact CG1-CG1 4.46Å; V474-I478 VanDerWaalsContact O-CG1 3.27Å; V474-I478 WeakPolarHBondContact O-CG1 3.24Å; V474-I478 PolarHBondContact O-N 3.26Å; A475-I478 PolarHBondContact O-N 3.36Å; I478-Q480 PolarHBondContact O-N 3.46Å; I478-T481 WeakPolarHBondContact O-CB 3.27Å; I478-T481 PolarHBondContact O-N 2.85Å; I478-T481 PolarHBondContact O-OG1 3.45Å
479	M	98.9	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55	-34.5	177.5	-178.2	-174.8	-72.4	0	0	112.2	A460 L463 A475 Y476 E477 T481 L482 A486 N489	A460-M479 WeakPolarHBondContact O-CE 3.24Å; L463-M479 HydrophobicContact CB-CE 3.89Å; L463-M479 HydrophobicContact CD2-CE 4.47Å; A475-M479 WeakPolarHBondContact O-CB 3.39Å; A475-M479 PolarHBondContact O-N 3.39Å; Y476-M479 WeakPolarHBondContact O-CB 3.29Å; Y476-M479 PolarHBondContact O-N 3.42Å; E477-M479 VanDerWaalsContact C-N 3.3Å; E477-M479 PolarHBondContact O-N 2.89Å; M479-T481 PolarHBondContact O-N 2.56Å; M479-T481 VanDerWaalsContact O-N 3.07Å; M479-L482 PolarHBondContact O-N 3.12Å; M479-L482 VanDerWaalsContact O-N 3.07Å; M479-A486 HydrophobicContact CG-CB 3.81Å; M479-A486 HydrophobicContact SD-CB 4.16Å; M479-N489 HydrophobicContact SD-CB 3.73Å
480	Q	98.8	Very high	98.6	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.4	177.2	-49.6	-44.6	-54.3	0	0	113.4	H320 V325 Y476 E477 I478 A486 S487	H320-Q480 PolarHBondContact CE1-OE1 3.05Å; H320-Q480 VanDerWaalsContact CE1-OE1 3.25Å; H320-Q480 PolarHBondContact NE2-OE1 3.28Å; H320-Q480 VanDerWaalsContact NE2-OE1 3.1Å; V325-Q480 HydrophobicContact CG1-CG 4Å; V325-Q480 HydrophobicContact CG2-CG 3.87Å; Y476-Q480 WeakPolarHBondContact O-CG 3.5Å; Y476-Q480 PolarHBondContact O-N 2.94Å; Y476-Q480 PolarHBondContact O-NE2 3.14Å; E477-Q480 WeakPolarHBondContact O-CB 2.95Å; E477-Q480 PolarHBondContact O-N 2.8Å; I478-Q480 PolarHBondContact O-N 3.46Å; Q480-A486 PolarHBondContact NE2-O 3.42Å; Q480-A486 PolarHBondContact OE1-O 2.81Å; Q480-S487 VanDerWaalsContact OE1-N 3.07Å
481	T	98.6	Very high	98.7	Very high	24 Å²	24	24.3 Å²	24.3	15%	0.147	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-2.8	179.9	78.4	0	0	0	0	113.3	S329 K333 I478 M479	S329-T481 WeakPolarHBondContact OG-CG2 3.33Å; K333-T481 HydrophobicContact CB-CG2 4.11Å; K333-T481 HydrophobicContact CD-CG2 4.24Å; K333-T481 HydrophobicContact CG-CG2 4.44Å; I478-T481 WeakPolarHBondContact O-CB 3.27Å; I478-T481 PolarHBondContact O-N 2.85Å; I478-T481 PolarHBondContact O-OG1 3.45Å; M479-T481 PolarHBondContact O-N 2.56Å; M479-T481 VanDerWaalsContact O-N 3.07Å
482	L	98.4	Very high	98.7	Very high	64 Å²	64	23.2 Å²	23.2	34%	0.335	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-17.1	-176.9	-55	179.6	0	0	0	112.4	S458 Q459 M479	S458-L482 VanDerWaalsContact O-CD1 3.31Å; S458-L482 WeakPolarHBondContact O-CD1 3.16Å; Q459-L482 HydrophobicContact CG-CD1 4.37Å; M479-L482 PolarHBondContact O-N 3.12Å; M479-L482 VanDerWaalsContact O-N 3.07Å
483	H	98.3	Very high	98.7	Very high	66 Å²	66	24 Å²	24	31%	0.306	14%	0.136	S	C	.	.	S	Bend	trans	-133.2	159.7	-179.2	-56.1	-69.3	0	0	0	111.1	D485 A486	H483-D485 VanDerWaalsContact C-N 3.34Å; H483-D485 PolarHBondContact O-N 3.37Å; H483-A486 HydrophobicContact CB-CB 3.95Å
484	P	98.2	Very high	98.5	Very high	37 Å²	37	25.5 Å²	25.5	24%	0.24	14%	0.144	C	C	.	.	S	Bend	trans	-63.6	-40	177.6	-21	32.9	0	0	0	113	R180 E181 A184	R180-P484 HydrophobicContact CB-CB 4.36Å; R180-P484 HydrophobicContact CG-CB 3.78Å; E181-P484 HydrophobicContact CB-CG 3.88Å; E181-P484 HydrophobicContact CG-CG 4.22Å; A184-P484 HydrophobicContact CB-CB 4.11Å
485	D	98.8	Very high	98.4	Very high	57 Å²	57	28.2 Å²	28.2	31%	0.305	16%	0.159	S	C	.	.			trans	-151.1	105.7	173.5	-174.7	1.5	0	0	0	108.9	V319 H320 G321 H483 S487	V319-D485 WeakPolarHBondContact O-CB 3.26Å; H320-D485 IonicContact CD2-OD1 2.75Å; H320-D485 IonicContact CE1-OD1 3.91Å; H320-D485 IonicContact CG-OD1 3.02Å; H320-D485 IonicContact ND1-OD1 3.42Å; H320-D485 IonicContact NE2-OD1 3.59Å; G321-D485 PolarHBondContact N-OD1 3.14Å; G321-D485 PolarHBondContact N-OD2 2.91Å; H483-D485 VanDerWaalsContact C-N 3.34Å; H483-D485 PolarHBondContact O-N 3.37Å; D485-S487 WeakPolarHBondContact OD1-CB 3.43Å; D485-S487 PolarHBondContact OD1-N 2.72Å; D485-S487 PolarHBondContact OD1-OG 2.9Å
486	A	98.7	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.			trans	-112.1	20.6	174.3	0	0	0	0	0	111.4	M479 Q480 H483 A488 N489	M479-A486 HydrophobicContact CG-CB 3.81Å; M479-A486 HydrophobicContact SD-CB 4.16Å; Q480-A486 PolarHBondContact NE2-O 3.42Å; Q480-A486 PolarHBondContact OE1-O 2.81Å; H483-A486 HydrophobicContact CB-CB 3.95Å; A486-A488 PolarHBondContact O-N 2.73Å; A486-N489 HydrophobicContact CB-CB 4.2Å; A486-N489 PolarHBondContact O-N 2.79Å
487	S	98.7	Very high	98.3	Very high	15 Å²	15	30 Å²	30	11%	0.105	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.7	-176.3	57.7	0	0	0	0	112.1	G321 Y476 Q480 D485 F490	G321-S487 WeakPolarHBondContact CA-OG 3.46Å; G321-S487 PolarHBondContact N-OG 3.37Å; Y476-S487 WeakPolarHBondContact OH-CA 3.2Å; Y476-S487 PolarHBondContact OH-O 3.3Å; Q480-S487 VanDerWaalsContact OE1-N 3.07Å; D485-S487 WeakPolarHBondContact OD1-CB 3.43Å; D485-S487 PolarHBondContact OD1-N 2.72Å; D485-S487 PolarHBondContact OD1-OG 2.9Å; S487-F490 VanDerWaalsContact O-CD1 3.31Å; S487-F490 WeakPolarHBondContact O-CD1 3.42Å; S487-F490 WeakPolarHBondContact O-CE1 3.32Å
488	A	98.6	Very high	98.3	Very high	74 Å²	74	33 Å²	33	61%	0.612	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	3.7	178.7	0	0	0	0	0	114.5	A486 F490	A486-A488 PolarHBondContact O-N 2.73Å; A488-F490 PolarHBondContact O-N 2.87Å
489	N	98.8	Very high	98.3	Very high	43 Å²	43	32.4 Å²	32.4	23%	0.23	18%	0.176	C	C	.	.	S	Bend	trans	-84.1	43.1	-174.5	-71.1	12.9	0	0	0	112.8	D461 F462 L463 M479 A486	D461-N489 PolarHBondContact O-ND2 3.3Å; F462-N489 HydrophobicContact CD2-CB 4.23Å; F462-N489 VanDerWaalsContact CE2-C 3.4Å; L463-N489 PolarHBondContact N-O 2.04Å; M479-N489 HydrophobicContact SD-CB 3.73Å; A486-N489 HydrophobicContact CB-CB 4.2Å; A486-N489 PolarHBondContact O-N 2.79Å
490	F	98.8	Very high	98.2	Very high	41 Å²	41	34 Å²	34	18%	0.18	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.6	176	77.8	-81.8	0	0	0	113.1	F462 L463 F467 Y476 S487 A488 W536	F462-F490 VanDerWaalsContact CZ-O 3.24Å; F462-F490 WeakPolarHBondContact CZ-O 3.45Å; L463-F490 HydrophobicContact CB-CB 4.3Å; L463-F490 CarbonylContact O-C 3.09Å; L463-F490 WeakPolarHBondContact O-CA 3.43Å; F467-F490 HydrophobicContact CD2-CD2 4.17Å; F467-F490 AromaticContact CD2-CE2 3.89Å; F467-F490 HydrophobicContact CD2-CE2 3.89Å; F467-F490 HydrophobicContact CE1-CD2 4.16Å; F467-F490 HydrophobicContact CE1-CG 4.44Å; F467-F490 HydrophobicContact CE2-CD1 4.26Å; F467-F490 AromaticContact CE2-CD2 3.33Å; F467-F490 HydrophobicContact CE2-CD2 3.33Å; F467-F490 HydrophobicContact CE2-CE1 4.14Å; F467-F490 AromaticContact CE2-CE2 3.21Å; F467-F490 HydrophobicContact CE2-CE2 3.21Å; F467-F490 AromaticContact CE2-CG 3.88Å; F467-F490 HydrophobicContact CE2-CG 3.88Å; F467-F490 AromaticContact CE2-CZ 3.64Å; F467-F490 HydrophobicContact CE2-CZ 3.64Å; F467-F490 HydrophobicContact CZ-CB 4.02Å; F467-F490 HydrophobicContact CZ-CD1 4.09Å; F467-F490 AromaticContact CZ-CD2 3.32Å; F467-F490 HydrophobicContact CZ-CD2 3.32Å; F467-F490 HydrophobicContact CZ-CE1 4.42Å; F467-F490 AromaticContact CZ-CE2 3.76Å; F467-F490 HydrophobicContact CZ-CE2 3.76Å; F467-F490 AromaticContact CZ-CG 3.52Å; F467-F490 HydrophobicContact CZ-CG 3.52Å; F467-F490 HydrophobicContact CZ-CZ 4.28Å; Y476-F490 HydrophobicContact CD2-CB 4.24Å; Y476-F490 HydrophobicContact CD2-CD1 4.17Å; Y476-F490 HydrophobicContact CD2-CG 4.41Å; Y476-F490 HydrophobicContact CE2-CB 4.3Å; Y476-F490 AromaticContact CE2-CD1 3.45Å; Y476-F490 HydrophobicContact CE2-CD1 3.45Å; Y476-F490 VanDerWaalsContact CE2-CD1 3.45Å; Y476-F490 HydrophobicContact CE2-CE1 4.11Å; Y476-F490 HydrophobicContact CE2-CG 4.13Å; Y476-F490 AromaticContact CZ-CD1 3.8Å; Y476-F490 AromaticContact CZ-CE1 3.97Å; S487-F490 VanDerWaalsContact O-CD1 3.31Å; S487-F490 WeakPolarHBondContact O-CD1 3.42Å; S487-F490 WeakPolarHBondContact O-CE1 3.32Å; A488-F490 PolarHBondContact O-N 2.87Å; F490-W536 HydrophobicContact CE2-CH2 4.25Å
491	H	98.7	Very high	98.1	Very high	44 Å²	44	35.6 Å²	35.6	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	119.1	159	-165.1	87	0	0	0	108.8	H385 F462 L463 V464 C465	H385-H491 HydrophobicContact CB-CB 4.28Å; H385-H491 AromaticContact CD2-CD2 3.42Å; H385-H491 PolarHBondContact CD2-CD2 3.18Å; H385-H491 VanDerWaalsContact CD2-CD2 3.42Å; H385-H491 AromaticContact CD2-NE2 3.81Å; H385-H491 AromaticContact CE1-CD2 3.49Å; H385-H491 PolarHBondContact CE1-CD2 2.83Å; H385-H491 VanDerWaalsContact CE1-CD2 3.49Å; H385-H491 AromaticContact CE1-CE1 3.62Å; H385-H491 AromaticContact CE1-NE2 3.07Å; H385-H491 PolarHBondContact CE1-NE2 3.49Å; H385-H491 AromaticContact CG-CD2 3.42Å; H385-H491 VanDerWaalsContact CG-CD2 3.42Å; H385-H491 AromaticContact CG-CG 3.81Å; H385-H491 AromaticContact CG-NE2 3.86Å; H385-H491 AromaticContact ND1-CD2 3.48Å; H385-H491 PolarHBondContact ND1-CD2 3.02Å; H385-H491 AromaticContact ND1-CE1 3.71Å; H385-H491 AromaticContact ND1-CG 3.81Å; H385-H491 AromaticContact ND1-ND1 3.94Å; H385-H491 AromaticContact ND1-NE2 3.43Å; H385-H491 PolarHBondContact ND1-NE2 3.09Å; H385-H491 AromaticContact NE2-CD2 3.49Å; H385-H491 PolarHBondContact NE2-CD2 2.82Å; H385-H491 AromaticContact NE2-NE2 3.34Å; H385-H491 PolarHBondContact NE2-NE2 3.23Å; F462-H491 HydrophobicContact CE1-CB 3.92Å; F462-H491 HydrophobicContact CZ-CB 4.07Å; L463-H491 PolarHBondContact O-N 3.27Å; V464-H491 WeakPolarHBondContact CA-O 3.4Å; C465-H491 PolarHBondContact N-O 3.42Å; C465-H491 VanDerWaalsContact N-O 3.13Å
492	S	98.4	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.5	177	-179.7	0	0	0	0	109.2	C465 F467 D494 D495 W536	C465-S492 CarbonylContact O-C 3.57Å; C465-S492 VanDerWaalsContact O-CA 3.27Å; C465-S492 WeakPolarHBondContact O-CA 2.99Å; F467-S492 WeakPolarHBondContact CB-OG 3.44Å; F467-S492 PolarHBondContact N-OG 2.96Å; F467-S492 VanDerWaalsContact N-OG 3.08Å; S492-D494 VanDerWaalsContact C-N 3.27Å; S492-D494 PolarHBondContact OG-N 3.21Å; S492-D494 PolarHBondContact OG-OD1 3.41Å; S492-D495 VanDerWaalsContact CB-O 3.24Å; S492-D495 WeakPolarHBondContact CB-O 3.42Å; S492-D495 PolarHBondContact OG-O 2.82Å; S492-W536 PolarHBondContact O-NE1 3.48Å; S492-W536 VanDerWaalsContact O-NE1 3.13Å
493	L	97.8	Very high	97.9	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.089	21%	0.212	C	C	.	.	S	Bend	trans	-79	-11.4	177.2	-57	-175.8	0	0	0	113.3	H377 E381 Y382 C465 T466	H377-L493 HydrophobicContact CB-CD1 3.97Å; E381-L493 HydrophobicContact CB-CD1 4.27Å; E381-L493 HydrophobicContact CG-CD1 3.96Å; E381-L493 HydrophobicContact CG-CD2 4.01Å; Y382-L493 HydrophobicContact CD1-CD1 3.74Å; Y382-L493 HydrophobicContact CD1-CG 4.5Å; Y382-L493 HydrophobicContact CD2-CD1 3.81Å; Y382-L493 HydrophobicContact CE1-CD1 3.55Å; Y382-L493 HydrophobicContact CE1-CG 4.39Å; Y382-L493 HydrophobicContact CE2-CD1 3.62Å; Y382-L493 HydrophobicContact CG-CD1 3.85Å; Y382-L493 VanDerWaalsContact CZ-CD1 3.47Å; C465-L493 PolarHBondContact O-N 3.05Å; T466-L493 HydrophobicContact CG2-CB 4.1Å
494	D	94.9	Very high	97.8	Very high	35 Å²	35	36 Å²	36	19%	0.187	22%	0.219	C	C	.	.	S	Bend	trans	-134.4	-99.6	-176.3	57.5	9.3	0	0	0	112.5	T466 F467 S468 S492 W536	T466-D494 VanDerWaalsContact C-OD1 3.31Å; T466-D494 VanDerWaalsContact CA-OD1 3.23Å; T466-D494 WeakPolarHBondContact CA-OD1 3.45Å; T466-D494 WeakPolarHBondContact CB-OD1 3.39Å; T466-D494 VanDerWaalsContact CB-OD2 3.24Å; T466-D494 WeakPolarHBondContact CB-OD2 3.04Å; T466-D494 WeakPolarHBondContact CG2-OD2 3.23Å; F467-D494 PolarHBondContact N-OD1 3.44Å; S468-D494 WeakPolarHBondContact CB-OD2 3.2Å; S468-D494 PolarHBondContact N-OD1 2.85Å; S468-D494 VanDerWaalsContact N-OD1 3.14Å; S468-D494 PolarHBondContact OG-OD2 2.9Å; S492-D494 VanDerWaalsContact C-N 3.27Å; S492-D494 PolarHBondContact OG-N 3.21Å; S492-D494 PolarHBondContact OG-OD1 3.41Å; D494-W536 PolarHBondContact O-NE1 3.03Å; D494-W536 VanDerWaalsContact O-NE1 3.08Å
495	D	97.1	Very high	97.8	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-70.6	154.9	-172.1	-71.5	-43.2	0	0	0	111.4	F467 S468 S492 Y498	F467-D495 HydrophobicContact CB-CB 4.19Å; F467-D495 WeakPolarHBondContact CB-O 3.37Å; S468-D495 VanDerWaalsContact CA-OD2 3.32Å; S468-D495 WeakPolarHBondContact CA-OD2 3.29Å; S468-D495 WeakPolarHBondContact CB-OD2 3.38Å; S492-D495 VanDerWaalsContact CB-O 3.24Å; S492-D495 WeakPolarHBondContact CB-O 3.42Å; S492-D495 PolarHBondContact OG-O 2.82Å; D495-Y498 HydrophobicContact CB-CD1 4.1Å; D495-Y498 HydrophobicContact CB-CE1 3.92Å; D495-Y498 WeakPolarHBondContact OD2-CE1 3.34Å
496	I	97.9	Very high	97.8	Very high	28 Å²	28	34.1 Å²	34.1	14%	0.144	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-71.3	172.2	157.9	60	174.1	0	0	0	110	Y498 V531 N534 W536	I496-Y498 WeakPolarHBondContact O-CD1 3.48Å; I496-Y498 PolarHBondContact O-N 3.18Å; I496-V531 HydrophobicContact CD1-CG1 4Å; I496-V531 HydrophobicContact CD1-CG2 3.92Å; I496-N534 HydrophobicContact CG2-CB 3.58Å; I496-W536 HydrophobicContact CG2-CH2 4.2Å; I496-W536 HydrophobicContact CG2-CZ2 4.13Å
497	Y	98.6	Very high	97.8	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.047	21%	0.21	C	C	.	.	S	Bend	trans	-60.7	134.9	173.6	177.4	-102.4	0	0	0	110.6	L306 V325 R473 Y476 E477	L306-Y497 HydrophobicContact CD2-CD1 4.32Å; L306-Y497 HydrophobicContact CD2-CE1 3.92Å; V325-Y497 HydrophobicContact CB-CD1 4.23Å; V325-Y497 HydrophobicContact CB-CE1 3.84Å; V325-Y497 HydrophobicContact CB-CE2 4.49Å; V325-Y497 HydrophobicContact CG2-CD2 4.46Å; V325-Y497 HydrophobicContact CG2-CE1 4.16Å; V325-Y497 HydrophobicContact CG2-CE2 3.94Å; R473-Y497 HydrophobicContact CB-CE2 4.46Å; Y476-Y497 AromaticContact CD1-CD2 3.76Å; Y476-Y497 HydrophobicContact CD1-CD2 3.76Å; Y476-Y497 HydrophobicContact CD1-CE2 4.16Å; Y476-Y497 AromaticContact CE1-CD2 3.83Å; Y476-Y497 HydrophobicContact CE1-CD2 3.83Å; Y476-Y497 HydrophobicContact CE1-CE2 4.43Å; Y476-Y497 HydrophobicContact CE1-CG 4.14Å; E477-Y497 HydrophobicContact CG-CE2 4.05Å; E477-Y497 WeakPolarHBondContact OE1-CE2 3.31Å; E477-Y497 PolarHBondContact OE1-OH 3.4Å
498	Y	98.6	Very high	97.8	Very high	62 Å²	62	36 Å²	36	24%	0.243	21%	0.214	C	C	.	.			trans	-150.6	154.8	171.8	73.5	-87.2	0	0	0	111.2	F467 S468 R473 D495 I496	F467-Y498 WeakPolarHBondContact O-CE1 3.48Å; S468-Y498 PolarHBondContact O-OH 2.94Å; R473-Y498 WeakPolarHBondContact CD-O 3.22Å; R473-Y498 PolarHBondContact NE-O 3.02Å; R473-Y498 PolarHBondContact NH1-OH 3.35Å; R473-Y498 VanDerWaalsContact NH1-OH 3.08Å; R473-Y498 VanDerWaalsContact NH2-CE2 3.28Å; R473-Y498 VanDerWaalsContact NH2-CZ 3.35Å; R473-Y498 PolarHBondContact NH2-OH 3.48Å; D495-Y498 HydrophobicContact CB-CD1 4.1Å; D495-Y498 HydrophobicContact CB-CE1 3.92Å; D495-Y498 WeakPolarHBondContact OD2-CE1 3.34Å; I496-Y498 WeakPolarHBondContact O-CD1 3.48Å; I496-Y498 PolarHBondContact O-N 3.18Å
499	F	98.5	Very high	97.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.018	19%	0.186	C	C	.	.			trans	-110.8	127.8	171.1	-168.5	-82.2	0	0	0	110.1	H225 V228 M232 P305 V328 G501 Q502	H225-F499 HydrophobicContact CB-CE2 4.09Å; H225-F499 HydrophobicContact CB-CZ 4.04Å; H225-F499 AromaticContact CD2-CE2 3.73Å; H225-F499 AromaticContact CG-CE2 4Å; H225-F499 VanDerWaalsContact O-CZ 3.29Å; H225-F499 WeakPolarHBondContact O-CZ 3.03Å; V228-F499 HydrophobicContact CB-CE2 4.36Å; V228-F499 HydrophobicContact CB-CZ 4.3Å; V228-F499 HydrophobicContact CG1-CE2 3.9Å; V228-F499 HydrophobicContact CG1-CZ 4.06Å; M232-F499 HydrophobicContact CE-CE1 4.21Å; M232-F499 HydrophobicContact CE-CE2 4.42Å; M232-F499 HydrophobicContact CE-CZ 3.92Å; P305-F499 HydrophobicContact CB-CB 3.87Å; P305-F499 HydrophobicContact CB-CD1 4.28Å; P305-F499 HydrophobicContact CB-CG 4.1Å; P305-F499 HydrophobicContact CG-CB 4.12Å; P305-F499 HydrophobicContact CG-CD1 3.73Å; P305-F499 HydrophobicContact CG-CD2 4.28Å; P305-F499 HydrophobicContact CG-CE1 4.18Å; P305-F499 HydrophobicContact CG-CG 3.78Å; V328-F499 HydrophobicContact CG1-CD2 3.89Å; V328-F499 HydrophobicContact CG1-CE2 3.87Å; V328-F499 HydrophobicContact CG2-CD2 4.17Å; F499-G501 PolarHBondContact O-N 3.4Å; F499-Q502 HydrophobicContact CB-CB 4.45Å; F499-Q502 WeakPolarHBondContact O-CB 3.34Å; F499-Q502 VanDerWaalsContact O-CG 3.22Å; F499-Q502 WeakPolarHBondContact O-CG 3.45Å; F499-Q502 PolarHBondContact O-N 3.12Å; F499-Q502 PolarHBondContact O-OE1 3.4Å
500	G	97.4	Very high	97.8	Very high	34 Å²	34	33.6 Å²	33.6	35%	0.351	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	120.5	-176.9	0	0	0	0	0	112.2
501	G	95.3	Very high	97.8	Very high	34 Å²	34	37.9 Å²	37.9	35%	0.351	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	14.5	-176.6	0	0	0	0	0	114.8	R300 F499	R300-G501 PolarHBondContact NH1-O 3.15Å; R300-G501 PolarHBondContact NH2-O 2.97Å; F499-G501 PolarHBondContact O-N 3.4Å
502	Q	97.2	Very high	97.8	Very high	44 Å²	44	38 Å²	38	21%	0.206	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.1	160.6	170.8	64.3	-177.9	46	0	0	113.4	R300 P305 L306 F499	R300-Q502 PolarHBondContact NH2-O 3.4Å; P305-Q502 HydrophobicContact CB-CB 4.33Å; P305-Q502 CarbonylContact O-C 3.53Å; P305-Q502 VanDerWaalsContact O-CA 3.26Å; P305-Q502 WeakPolarHBondContact O-CA 3.04Å; P305-Q502 VanDerWaalsContact O-CB 3.31Å; P305-Q502 WeakPolarHBondContact O-CB 3.34Å; L306-Q502 HydrophobicContact CG-CB 4.44Å; F499-Q502 HydrophobicContact CB-CB 4.45Å; F499-Q502 WeakPolarHBondContact O-CB 3.34Å; F499-Q502 VanDerWaalsContact O-CG 3.22Å; F499-Q502 WeakPolarHBondContact O-CG 3.45Å; F499-Q502 PolarHBondContact O-N 3.12Å; F499-Q502 PolarHBondContact O-OE1 3.4Å
503	N	96.4	Very high	97.8	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.332	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-70	169.1	163.6	-68.2	-32.2	0	0	0	110.7	R300 P305 H505	R300-N503 PolarHBondContact NH2-OD1 2.9Å; P305-N503 PolarHBondContact O-N 2.77Å; N503-H505 PolarHBondContact O-N 2.62Å
504	A	97	Very high	97.9	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-55.7	122.9	-177.7	0	0	0	0	0	112.3	N506	A504-N506 PolarHBondContact O-N 2.8Å; A504-N506 PolarHBondContact O-ND2 3.28Å
505	H	98.4	Very high	98	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.157	26%	0.258	C	S	.	.			trans	-77.4	114	172.3	-168.2	167.4	0	0	0	108.9	L306 N503 V531 E560	L306-H505 HydrophobicContact CD1-CB 4.07Å; N503-H505 PolarHBondContact O-N 2.62Å; H505-V531 HydrophobicContact CB-CG1 3.87Å; H505-V531 VanDerWaalsContact CG-CG1 3.44Å; H505-V531 PolarHBondContact O-N 2.97Å; H505-E560 IonicContact CD2-OE2 3.95Å; H505-E560 IonicContact CE1-OE2 3.06Å; H505-E560 IonicContact NE2-OE1 3.54Å; H505-E560 IonicContact NE2-OE2 3.01Å; H505-E560 PolarHBondContact NE2-OE2 3.22Å
506	N	98.4	Very high	98.1	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.112	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.2	-177.8	-64.5	-47.6	0	0	0	111.3	A504 I528 I529 R545 K561	A504-N506 PolarHBondContact O-N 2.8Å; A504-N506 PolarHBondContact O-ND2 3.28Å; N506-I528 HydrophobicContact CB-CG2 3.94Å; N506-I529 CarbonylContact C-O 3.58Å; N506-I529 WeakPolarHBondContact CA-O 3.21Å; N506-R545 VanDerWaalsContact OD1-CZ 3.3Å; N506-R545 PolarHBondContact OD1-NE 2.9Å; N506-R545 PolarHBondContact OD1-NH2 2.88Å; N506-K561 HydrophobicContact CB-CB 4.25Å; N506-K561 HydrophobicContact CB-CD 4.11Å; N506-K561 WeakPolarHBondContact O-CB 3.46Å; N506-K561 PolarHBondContact O-N 3.35Å; N506-K561 VanDerWaalsContact O-N 3.07Å
507	Q	98.7	Very high	98.1	Very high	15 Å²	15	55.6 Å²	55.6	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	164	168.2	-62.2	171.8	-37.8	0	0	108.8	I529 V531 Y553 V558 R559 E560	Q507-I529 HydrophobicContact CB-CB 4.45Å; Q507-I529 PolarHBondContact N-O 3.09Å; Q507-I529 PolarHBondContact O-N 2.58Å; Q507-V531 HydrophobicContact CG-CB 4.41Å; Q507-V531 HydrophobicContact CG-CG1 4.33Å; Q507-Y553 PolarHBondContact OE1-OH 3.3Å; Q507-V558 HydrophobicContact CB-CB 4.04Å; Q507-V558 HydrophobicContact CB-CG2 4.41Å; Q507-R559 CarbonylContact C-O 3.5Å; Q507-R559 VanDerWaalsContact CA-O 3.31Å; Q507-R559 WeakPolarHBondContact CA-O 3.28Å; Q507-R559 WeakPolarHBondContact CB-O 3.23Å; Q507-E560 PolarHBondContact NE2-OE1 2.88Å
508	I	98.8	Very high	98	Very high	39 Å²	39	59.4 Å²	59.4	20%	0.2	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.5	174.4	-62.4	165.6	0	0	0	108	I510 V558 R559 K561	I508-I510 PolarHBondContact O-N 2.84Å; I508-V558 CarbonylContact O-C 3.56Å; I508-V558 VanDerWaalsContact O-CA 3.32Å; I508-V558 WeakPolarHBondContact O-CA 3.49Å; I508-R559 PolarHBondContact N-O 2.82Å; I508-R559 PolarHBondContact O-N 3.1Å; I508-K561 HydrophobicContact CD1-CB 4.2Å; I508-K561 HydrophobicContact CD1-CD 4.28Å; I508-K561 HydrophobicContact CD1-CG 4.01Å; I508-K561 HydrophobicContact CG1-CB 4.15Å; I508-K561 HydrophobicContact CG1-CD 4.3Å; I508-K561 HydrophobicContact CG1-CG 4.31Å
509	A	98.8	Very high	98	Very high	2 Å²	2	61.9 Å²	61.9	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.9	171.4	0	0	0	0	0	110.2	M523 E524 P525 G526 D527 I529	A509-M523 HydrophobicContact CB-CB 4.12Å; A509-M523 HydrophobicContact CB-SD 4.34Å; A509-E524 WeakPolarHBondContact CB-O 3.25Å; A509-P525 CarbonylContact O-C 3.57Å; A509-P525 WeakPolarHBondContact O-CA 3.42Å; A509-G526 PolarHBondContact O-N 2.92Å; A509-D527 HydrophobicContact CB-CB 4.28Å; A509-D527 PolarHBondContact N-O 3.26Å; A509-I529 HydrophobicContact CB-CG1 4.49Å
510	I	98.6	Very high	98	Very high	64 Å²	64	62 Å²	62	33%	0.328	35%	0.345	S	S	.	.			trans	-109.3	-22.2	178.4	55.4	167.9	0	0	0	112.4	I508 K557 R559	I508-I510 PolarHBondContact O-N 2.84Å; I510-K557 VanDerWaalsContact CG1-C 3.5Å; I510-K557 WeakPolarHBondContact CG1-O 3.35Å; I510-K557 PolarHBondContact N-O 3.43Å; I510-R559 HydrophobicContact CG2-CB 3.87Å
511	Y	98.4	Very high	98	Very high	132 Å²	132	60.5 Å²	60.5	52%	0.518	33%	0.329	S	S	.	.	S	Bend	trans	-128.7	144.2	173.9	-56.2	-58.2	0	0	0	110.4	Y556 K557	Y511-Y556 HydrophobicContact CD2-CD2 4.41Å; Y511-Y556 HydrophobicContact CD2-CE2 4.36Å; Y511-K557 HydrophobicContact CD2-CG 4.33Å; Y511-K557 PolarHBondContact N-O 3.33Å
512	A	98.6	Very high	98.2	Very high	47 Å²	47	60.4 Å²	60.4	39%	0.388	32%	0.322	S	S	.	.			trans	-63.2	148.9	175.9	0	0	0	0	0	111.5	M523 K557	A512-M523 CarbonylContact C-O 3.51Å; A512-M523 VanDerWaalsContact CA-O 3.24Å; A512-M523 WeakPolarHBondContact CA-O 3.4Å; A512-K557 PolarHBondContact O-NZ 2.87Å
513	H	98.7	Very high	98.3	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.069	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-137.4	119.7	173.7	-179.5	36.7	0	0	0	110.6	E520 I521 P522 M523 P554 K557	H513-E520 IonicContact CE1-OE2 3.14Å; H513-E520 PolarHBondContact CE1-OE2 3.48Å; H513-E520 IonicContact NE2-OE2 3.29Å; H513-E520 PolarHBondContact NE2-OE2 2.92Å; H513-I521 PolarHBondContact CD2-O 3.16Å; H513-P522 VanDerWaalsContact O-CA 3.31Å; H513-P522 WeakPolarHBondContact O-CA 3.38Å; H513-M523 HydrophobicContact CB-CB 4.13Å; H513-M523 HydrophobicContact CB-CE 3.68Å; H513-M523 HydrophobicContact CB-CG 4.41Å; H513-M523 PolarHBondContact N-O 3.03Å; H513-M523 PolarHBondContact O-N 2.9Å; H513-P554 WeakPolarHBondContact CD2-CD 3.38Å; H513-P554 VanDerWaalsContact NE2-CD 3.32Å; H513-P554 WeakPolarHBondContact NE2-CD 3.38Å; H513-K557 HydrophobicContact CB-CD 3.95Å
514	Q	98.6	Very high	98.4	Very high	176 Å²	176	60.7 Å²	60.7	82%	0.822	32%	0.321	S	S	*	.			trans	-93	122.8	166.2	-170.7	173.7	11.5	0	0	108.9	R516	Q514-R516 PolarHBondContact O-N 3.45Å
515	P	98.2	Very high	98.4	Very high	42 Å²	42	61.6 Å²	61.6	27%	0.273	32%	0.323	S	S	.	.			trans	-58	131.7	176.7	-28.9	38.4	0	0	0	111.7	E520 P522	P515-E520 HydrophobicContact CB-CB 3.75Å; P515-E520 HydrophobicContact CG-CB 4.42Å; P515-P522 HydrophobicContact CG-CB 3.93Å; P515-P522 HydrophobicContact CG-CG 4.32Å; P515-P522 VanDerWaalsContact CG-N 3.34Å
516	R	98.1	Very high	98.4	Very high	205 Å²	205	62.4 Å²	62.4	77%	0.774	34%	0.34	S	S	*	.	S	Bend	trans	-88	-34.1	169.9	-172.7	179.9	-64.5	126.2	-1.2	111.7	Q514 E520	Q514-R516 PolarHBondContact O-N 3.45Å; R516-E520 PolarHBondContact N-OE2 3.25Å
517	T	97.9	Very high	98.5	Very high	67 Å²	67	61.9 Å²	61.9	41%	0.411	34%	0.337	S	S	.	.	S	Bend	trans	-119.6	169.8	179.1	67.6	0	0	0	0	111.5	D519 E520	T517-D519 PolarHBondContact O-N 3.44Å; T517-E520 WeakPolarHBondContact CG2-OE1 3.29Å; T517-E520 PolarHBondContact N-OE1 3.49Å; T517-E520 PolarHBondContact O-N 2.88Å; T517-E520 PolarHBondContact OG1-OE1 3.35Å
518	A	97.4	Very high	98.5	Very high	93 Å²	93	64.4 Å²	64.4	77%	0.769	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.5	176.8	0	0	0	0	0	113.1	E520	A518-E520 VanDerWaalsContact C-N 3.27Å; A518-E520 PolarHBondContact O-N 2.98Å
519	D	97.9	Very high	98.5	Very high	113 Å²	113	62.5 Å²	62.5	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.1	-179.4	-60.7	-28.4	0	0	0	112.3	T517 G551 L552	T517-D519 PolarHBondContact O-N 3.44Å; D519-G551 CarbonylContact O-C 3.51Å; D519-G551 WeakPolarHBondContact O-CA 3.03Å; D519-L552 HydrophobicContact CB-CD1 4.32Å; D519-L552 PolarHBondContact O-N 3.12Å
520	E	98.6	Very high	98.4	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.037	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-91.3	152.6	-178	-70.5	163	-119.2	0	0	113	H513 P515 R516 T517 A518 Y539 L552	H513-E520 IonicContact CE1-OE2 3.14Å; H513-E520 PolarHBondContact CE1-OE2 3.48Å; H513-E520 IonicContact NE2-OE2 3.29Å; H513-E520 PolarHBondContact NE2-OE2 2.92Å; P515-E520 HydrophobicContact CB-CB 3.75Å; P515-E520 HydrophobicContact CG-CB 4.42Å; R516-E520 PolarHBondContact N-OE2 3.25Å; T517-E520 WeakPolarHBondContact CG2-OE1 3.29Å; T517-E520 PolarHBondContact N-OE1 3.49Å; T517-E520 PolarHBondContact O-N 2.88Å; T517-E520 PolarHBondContact OG1-OE1 3.35Å; A518-E520 VanDerWaalsContact C-N 3.27Å; A518-E520 PolarHBondContact O-N 2.98Å; E520-Y539 HydrophobicContact CG-CE1 4.44Å; E520-L552 CarbonylContact C-O 3.58Å; E520-L552 WeakPolarHBondContact CA-O 3.5Å; E520-L552 HydrophobicContact CG-CB 4.26Å
521	I	98.5	Very high	98.4	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	33%	0.332	C	S	.	.			trans	-106.9	139.8	176.2	58.4	176.1	0	0	0	112.5	H513 M523 N544 R549 T550 G551 L552 Y553	H513-I521 PolarHBondContact CD2-O 3.16Å; I521-M523 HydrophobicContact CG1-CG 4.46Å; I521-N544 HydrophobicContact CD1-CB 4.16Å; I521-R549 HydrophobicContact CG2-CB 4.21Å; I521-T550 VanDerWaalsContact CG2-C 3.42Å; I521-G551 VanDerWaalsContact CG2-N 3.29Å; I521-L552 PolarHBondContact N-O 2.9Å; I521-Y553 HydrophobicContact CD1-CD1 3.72Å; I521-Y553 HydrophobicContact CD1-CE1 4.44Å; I521-Y553 HydrophobicContact CD1-CG 4.41Å; I521-Y553 HydrophobicContact CG1-CD1 4.16Å
522	P	98.6	Very high	98.3	Very high	33 Å²	33	57.5 Å²	57.5	21%	0.214	34%	0.335	C	S	.	.			trans	-72.4	145	172.5	29.8	-31.9	0	0	0	110.5	H513 P515 N544 L547	H513-P522 VanDerWaalsContact O-CA 3.31Å; H513-P522 WeakPolarHBondContact O-CA 3.38Å; P515-P522 HydrophobicContact CG-CB 3.93Å; P515-P522 HydrophobicContact CG-CG 4.32Å; P515-P522 VanDerWaalsContact CG-N 3.34Å; P522-N544 PolarHBondContact O-ND2 3.48Å; P522-L547 HydrophobicContact CG-CD1 3.65Å
523	M	98.8	Very high	98.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-138.7	139.3	177.1	-57.2	-171	-62	0	0	110.6	A509 A512 H513 I521 I529 Y553 K557 V558	A509-M523 HydrophobicContact CB-CB 4.12Å; A509-M523 HydrophobicContact CB-SD 4.34Å; A512-M523 CarbonylContact C-O 3.51Å; A512-M523 VanDerWaalsContact CA-O 3.24Å; A512-M523 WeakPolarHBondContact CA-O 3.4Å; H513-M523 HydrophobicContact CB-CB 4.13Å; H513-M523 HydrophobicContact CB-CE 3.68Å; H513-M523 HydrophobicContact CB-CG 4.41Å; H513-M523 PolarHBondContact N-O 3.03Å; H513-M523 PolarHBondContact O-N 2.9Å; I521-M523 HydrophobicContact CG1-CG 4.46Å; M523-I529 HydrophobicContact CG-CD1 4.03Å; M523-I529 HydrophobicContact SD-CD1 3.83Å; M523-I529 HydrophobicContact SD-CG1 3.94Å; M523-Y553 HydrophobicContact CE-CD2 4.16Å; M523-Y553 HydrophobicContact CE-CG 4.24Å; M523-Y553 HydrophobicContact SD-CD2 4.04Å; M523-Y553 HydrophobicContact SD-CG 3.93Å; M523-K557 HydrophobicContact CE-CB 3.86Å; M523-K557 HydrophobicContact CE-CD 4.33Å; M523-V558 HydrophobicContact CE-CG1 4.45Å; M523-V558 HydrophobicContact SD-CG1 4.19Å
524	E	98.6	Very high	98.2	Very high	110 Å²	110	56.8 Å²	56.8	51%	0.514	33%	0.327	S	S	.	.			trans	-114	150	165	-69.8	-58.3	144.2	0	0	110.7	A509 G526 D527	A509-E524 WeakPolarHBondContact CB-O 3.25Å; E524-G526 PolarHBondContact O-N 2.87Å; E524-D527 PolarHBondContact N-OD2 3.44Å; E524-D527 VanDerWaalsContact N-OD2 3.07Å; E524-D527 VanDerWaalsContact O-CB 3.31Å; E524-D527 WeakPolarHBondContact O-CB 3.42Å; E524-D527 PolarHBondContact O-N 3.25Å
525	P	98.8	Very high	98.1	Very high	76 Å²	76	52.7 Å²	52.7	49%	0.494	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	128.3	176.1	-26	35.1	0	0	0	112	A509	A509-P525 CarbonylContact O-C 3.57Å; A509-P525 WeakPolarHBondContact O-CA 3.42Å
526	G	98.4	Very high	98	Very high	50 Å²	50	55 Å²	55	52%	0.515	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-11.9	-175.8	0	0	0	0	0	115	A509 E524	A509-G526 PolarHBondContact O-N 2.92Å; E524-G526 PolarHBondContact O-N 2.87Å
527	D	98.7	Very high	98	Very high	11 Å²	11	50.1 Å²	50.1	6%	0.059	30%	0.301	C	S	.	.			trans	-63.2	139.3	174	-74.4	-8.8	0	0	0	111.1	A509 E524 I529 N544 K546	A509-D527 HydrophobicContact CB-CB 4.28Å; A509-D527 PolarHBondContact N-O 3.26Å; E524-D527 PolarHBondContact N-OD2 3.44Å; E524-D527 VanDerWaalsContact N-OD2 3.07Å; E524-D527 VanDerWaalsContact O-CB 3.31Å; E524-D527 WeakPolarHBondContact O-CB 3.42Å; E524-D527 PolarHBondContact O-N 3.25Å; D527-I529 HydrophobicContact CB-CD1 4.37Å; D527-N544 PolarHBondContact OD2-ND2 3.24Å; D527-K546 WeakPolarHBondContact OD1-CD 3.46Å; D527-K546 IonicContact OD1-NZ 3.03Å; D527-K546 PolarHBondContact OD1-NZ 3.48Å
528	I	98.8	Very high	97.9	Very high	67 Å²	67	49 Å²	49	34%	0.344	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.8	176.8	-58.7	176.3	0	0	0	109.2	N506 R545	N506-I528 HydrophobicContact CB-CG2 3.94Å; I528-R545 HydrophobicContact CB-CB 4.49Å; I528-R545 HydrophobicContact CG2-CG 4.31Å; I528-R545 WeakPolarHBondContact O-CB 3.41Å; I528-R545 PolarHBondContact O-N 3.29Å
529	I	98.8	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118	179.4	-49.1	-55.7	0	0	0	108.8	N506 Q507 A509 M523 D527 V531 V543 N544 Y553 V558	N506-I529 CarbonylContact C-O 3.58Å; N506-I529 WeakPolarHBondContact CA-O 3.21Å; Q507-I529 HydrophobicContact CB-CB 4.45Å; Q507-I529 PolarHBondContact N-O 3.09Å; Q507-I529 PolarHBondContact O-N 2.58Å; A509-I529 HydrophobicContact CB-CG1 4.49Å; M523-I529 HydrophobicContact CG-CD1 4.03Å; M523-I529 HydrophobicContact SD-CD1 3.83Å; M523-I529 HydrophobicContact SD-CG1 3.94Å; D527-I529 HydrophobicContact CB-CD1 4.37Å; I529-V531 PolarHBondContact O-N 3.29Å; I529-V543 CarbonylContact C-O 3.47Å; I529-V543 WeakPolarHBondContact CA-O 3.32Å; I529-N544 HydrophobicContact CD1-CB 3.85Å; I529-Y553 HydrophobicContact CG2-CD1 4.2Å; I529-Y553 HydrophobicContact CG2-CE1 3.54Å; I529-Y553 HydrophobicContact CG2-CE2 4.26Å; I529-V558 HydrophobicContact CG1-CG1 4.24Å
530	G	98.5	Very high	98	Very high	4 Å²	4	42.4 Å²	42.4	4%	0.041	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	103.8	169.1	0	0	0	0	0	109.2	G542 V543	G530-G542 CarbonylContact O-C 3.6Å; G530-G542 WeakPolarHBondContact O-CA 3.23Å; G530-V543 PolarHBondContact N-O 2.93Å; G530-V543 PolarHBondContact O-N 3.15Å
531	V	98.2	Very high	98	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.4	-177.7	61.9	0	0	0	0	110.3	I496 H505 Q507 I529 Y553	I496-V531 HydrophobicContact CD1-CG1 4Å; I496-V531 HydrophobicContact CD1-CG2 3.92Å; H505-V531 HydrophobicContact CB-CG1 3.87Å; H505-V531 VanDerWaalsContact CG-CG1 3.44Å; H505-V531 PolarHBondContact O-N 2.97Å; Q507-V531 HydrophobicContact CG-CB 4.41Å; Q507-V531 HydrophobicContact CG-CG1 4.33Å; I529-V531 PolarHBondContact O-N 3.29Å; V531-Y553 WeakPolarHBondContact CG2-OH 3.39Å
532	A	96.3	Very high	98	Very high	69 Å²	69	46.7 Å²	46.7	57%	0.57	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	-36.7	171.3	0	0	0	0	0	111.4	K541	A532-K541 WeakPolarHBondContact CB-O 3.26Å; A532-K541 PolarHBondContact N-O 3.08Å
533	G	96.4	Very high	98	Very high	10 Å²	10	46.9 Å²	46.9	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.2	169.4	178.1	0	0	0	0	0	112.9	S540 K541	G533-S540 WeakPolarHBondContact O-CA 3.08Å; G533-S540 WeakPolarHBondContact O-CB 3.25Å; G533-K541 PolarHBondContact N-O 2.96Å; G533-K541 PolarHBondContact O-N 2.91Å
534	N	97.6	Very high	98	Very high	37 Å²	37	46.8 Å²	46.8	20%	0.198	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.1	172.4	-168.8	-22.4	0	0	0	108.2	I496 W536 Y539	I496-N534 HydrophobicContact CG2-CB 3.58Å; N534-W536 VanDerWaalsContact C-N 3.33Å; N534-W536 HydrophobicContact CB-CD2 4.23Å; N534-W536 HydrophobicContact CB-CE3 4.22Å; N534-W536 HydrophobicContact CB-CH2 4.15Å; N534-W536 HydrophobicContact CB-CZ2 4.13Å; N534-W536 HydrophobicContact CB-CZ3 4.19Å; N534-W536 PolarHBondContact O-NE1 3.46Å; N534-W536 PolarHBondContact OD1-N 2.8Å; N534-Y539 PolarHBondContact OD1-O 3.42Å
535	H	96.9	Very high	98	Very high	89 Å²	89	47.3 Å²	47.3	41%	0.412	27%	0.266	S	S	.	.			trans	-89.6	-2.3	178.4	-70.1	-170.4	0	0	0	112.8	D537 Y539 L552	H535-D537 WeakPolarHBondContact CB-OD1 3.48Å; H535-D537 VanDerWaalsContact O-N 3.15Å; H535-D537 PolarHBondContact O-N 2.98Å; H535-Y539 WeakPolarHBondContact CB-O 3.46Å; H535-Y539 PolarHBondContact N-O 3.46Å; H535-L552 VanDerWaalsContact CE1-CD2 3.46Å; H535-L552 WeakPolarHBondContact CE1-CD2 2.97Å
536	W	96.4	Very high	98	Very high	91 Å²	91	50.7 Å²	50.7	35%	0.345	27%	0.273	S	S	.	.	S	Bend	trans	62.5	18.9	178.4	-43.8	109.2	0	0	0	114.2	F490 S492 D494 I496 N534	F490-W536 HydrophobicContact CE2-CH2 4.25Å; S492-W536 PolarHBondContact O-NE1 3.48Å; S492-W536 VanDerWaalsContact O-NE1 3.13Å; D494-W536 PolarHBondContact O-NE1 3.03Å; D494-W536 VanDerWaalsContact O-NE1 3.08Å; I496-W536 HydrophobicContact CG2-CH2 4.2Å; I496-W536 HydrophobicContact CG2-CZ2 4.13Å; N534-W536 VanDerWaalsContact C-N 3.33Å; N534-W536 HydrophobicContact CB-CD2 4.23Å; N534-W536 HydrophobicContact CB-CE3 4.22Å; N534-W536 HydrophobicContact CB-CH2 4.15Å; N534-W536 HydrophobicContact CB-CZ2 4.13Å; N534-W536 HydrophobicContact CB-CZ3 4.19Å; N534-W536 PolarHBondContact O-NE1 3.46Å; N534-W536 PolarHBondContact OD1-N 2.8Å
537	D	97.3	Very high	97.9	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	27%	0.27	S	S	*	.	S	Bend	trans	-115.5	8.4	178.2	65.3	2.8	0	0	0	112.9	H535 Y539	H535-D537 WeakPolarHBondContact CB-OD1 3.48Å; H535-D537 VanDerWaalsContact O-N 3.15Å; H535-D537 PolarHBondContact O-N 2.98Å; D537-Y539 WeakPolarHBondContact OD1-CB 3.45Å; D537-Y539 PolarHBondContact OD1-N 2.5Å
538	G	97.4	Very high	97.8	Very high	43 Å²	43	54.8 Å²	54.8	44%	0.443	30%	0.297	S	S	.	.	S	Bend	trans	95.9	-6.2	-173.7	0	0	0	0	0	114.6	P554 S555	G538-P554 WeakPolarHBondContact O-CA 3.42Å; G538-S555 PolarHBondContact O-N 3.47Å; G538-S555 PolarHBondContact O-OG 3.04Å
539	Y	98.5	Very high	97.8	Very high	64 Å²	64	57.1 Å²	57.1	25%	0.251	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.5	171.4	-67.9	-95.8	0	0	0	112.4	E520 N534 H535 D537 L552 Y553 P554 S555	E520-Y539 HydrophobicContact CG-CE1 4.44Å; N534-Y539 PolarHBondContact OD1-O 3.42Å; H535-Y539 WeakPolarHBondContact CB-O 3.46Å; H535-Y539 PolarHBondContact N-O 3.46Å; D537-Y539 WeakPolarHBondContact OD1-CB 3.45Å; D537-Y539 PolarHBondContact OD1-N 2.5Å; Y539-L552 HydrophobicContact CD1-CB 4.15Å; Y539-Y553 WeakPolarHBondContact CA-O 3.48Å; Y539-P554 HydrophobicContact CD1-CG 4.33Å; Y539-P554 HydrophobicContact CE1-CG 3.89Å; Y539-S555 PolarHBondContact O-OG 3.29Å
540	S	98.6	Very high	97.8	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.028	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158.7	168	-62.1	0	0	0	0	109.4	G533 L552 Y553 S555	G533-S540 WeakPolarHBondContact O-CA 3.08Å; G533-S540 WeakPolarHBondContact O-CB 3.25Å; S540-L552 CarbonylContact O-C 3.4Å; S540-L552 VanDerWaalsContact O-CA 3.29Å; S540-L552 WeakPolarHBondContact O-CA 3.46Å; S540-Y553 PolarHBondContact N-O 2.84Å; S540-Y553 WeakPolarHBondContact O-CD1 3.38Å; S540-Y553 PolarHBondContact O-N 3.4Å; S540-S555 PolarHBondContact OG-OG 2.87Å; S540-S555 WeakPolarHBondContact OG-CB 3.32Å; S540-S555 PolarHBondContact N-OG 3.34Å
541	K	98.6	Very high	97.8	Very high	97 Å²	97	61.9 Å²	61.9	42%	0.422	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.4	174.7	-171.9	175	-179	177.2	0	110	A532 G533 G551 L552	A532-K541 WeakPolarHBondContact CB-O 3.26Å; A532-K541 PolarHBondContact N-O 3.08Å; G533-K541 PolarHBondContact N-O 2.96Å; G533-K541 PolarHBondContact O-N 2.91Å; K541-G551 WeakPolarHBondContact CA-O 3.26Å; K541-L552 HydrophobicContact CB-CD2 4.03Å; K541-L552 HydrophobicContact CG-CD2 4.36Å
542	G	98.3	Very high	97.8	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-172.5	178.7	0	0	0	0	0	112.9	G530 T550 G551	G530-G542 CarbonylContact O-C 3.6Å; G530-G542 WeakPolarHBondContact O-CA 3.23Å; G542-T550 VanDerWaalsContact O-CA 3.27Å; G542-T550 WeakPolarHBondContact O-CA 3.47Å; G542-T550 WeakPolarHBondContact O-CG2 3.25Å; G542-G551 PolarHBondContact N-O 2.86Å; G542-G551 PolarHBondContact O-N 2.89Å
543	V	98.7	Very high	97.9	Very high	36 Å²	36	59.5 Å²	59.5	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.1	-179.7	59.7	0	0	0	0	110.5	I529 G530 R545 R549	I529-V543 CarbonylContact C-O 3.47Å; I529-V543 WeakPolarHBondContact CA-O 3.32Å; G530-V543 PolarHBondContact N-O 2.93Å; G530-V543 PolarHBondContact O-N 3.15Å; V543-R545 VanDerWaalsContact O-N 3.16Å; V543-R545 PolarHBondContact O-N 3.39Å; V543-R545 HydrophobicContact CG1-CG 4.45Å; V543-R549 CarbonylContact C-O 3.58Å; V543-R549 WeakPolarHBondContact CA-O 3.21Å
544	N	98.6	Very high	98	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	106.8	164.7	-176.9	-28.6	0	0	0	107.6	I521 P522 D527 I529 K546 L547 G548 R549	I521-N544 HydrophobicContact CD1-CB 4.16Å; P522-N544 PolarHBondContact O-ND2 3.48Å; D527-N544 PolarHBondContact OD2-ND2 3.24Å; I529-N544 HydrophobicContact CD1-CB 3.85Å; N544-K546 PolarHBondContact O-N 3.26Å; N544-K546 WeakPolarHBondContact OD1-CB 2.93Å; N544-K546 PolarHBondContact OD1-N 3.03Å; N544-K546 VanDerWaalsContact OD1-N 3.11Å; N544-L547 HydrophobicContact CB-CB 4.49Å; N544-L547 PolarHBondContact O-N 3.46Å; N544-G548 PolarHBondContact O-N 2.98Å; N544-R549 PolarHBondContact N-O 3.13Å
545	R	98.3	Very high	98.1	Very high	120 Å²	120	59 Å²	59	45%	0.453	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.4	-171.9	-64.8	-165.2	-178.9	-75.7	-5.8	113.4	N506 I528 V543 L547	N506-R545 VanDerWaalsContact OD1-CZ 3.3Å; N506-R545 PolarHBondContact OD1-NE 2.9Å; N506-R545 PolarHBondContact OD1-NH2 2.88Å; I528-R545 HydrophobicContact CB-CB 4.49Å; I528-R545 HydrophobicContact CG2-CG 4.31Å; I528-R545 WeakPolarHBondContact O-CB 3.41Å; I528-R545 PolarHBondContact O-N 3.29Å; V543-R545 VanDerWaalsContact O-N 3.16Å; V543-R545 PolarHBondContact O-N 3.39Å; V543-R545 HydrophobicContact CG1-CG 4.45Å; R545-L547 VanDerWaalsContact C-N 3.35Å
546	K	98.1	Very high	98.2	Very high	147 Å²	147	62.3 Å²	62.3	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-35.3	178.2	-175.6	-177.9	-180	-176.6	0	111.9	D527 N544	D527-K546 WeakPolarHBondContact OD1-CD 3.46Å; D527-K546 IonicContact OD1-NZ 3.03Å; D527-K546 PolarHBondContact OD1-NZ 3.48Å; N544-K546 PolarHBondContact O-N 3.26Å; N544-K546 WeakPolarHBondContact OD1-CB 2.93Å; N544-K546 PolarHBondContact OD1-N 3.03Å; N544-K546 VanDerWaalsContact OD1-N 3.11Å
547	L	97.1	Very high	98.3	Very high	88 Å²	88	59.3 Å²	59.3	46%	0.461	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-13.8	-176.7	-58.4	179.4	0	0	0	113.3	P522 N544 R545 R549	P522-L547 HydrophobicContact CG-CD1 3.65Å; N544-L547 HydrophobicContact CB-CB 4.49Å; N544-L547 PolarHBondContact O-N 3.46Å; R545-L547 VanDerWaalsContact C-N 3.35Å; L547-R549 HydrophobicContact CB-CB 4.44Å; L547-R549 HydrophobicContact CB-CG 4.31Å; L547-R549 PolarHBondContact O-N 2.9Å
548	G	97.4	Very high	98.3	Very high	59 Å²	59	55.1 Å²	55.1	61%	0.608	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	21.1	-173.9	0	0	0	0	0	113.6	N544	N544-G548 PolarHBondContact O-N 2.98Å
549	R	97.8	Very high	98.4	Very high	117 Å²	117	60.6 Å²	60.6	44%	0.442	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.7	-178.5	-71.3	-171.2	64.9	-169.2	-5.6	111.1	I521 V543 N544 L547	I521-R549 HydrophobicContact CG2-CB 4.21Å; V543-R549 CarbonylContact C-O 3.58Å; V543-R549 WeakPolarHBondContact CA-O 3.21Å; N544-R549 PolarHBondContact N-O 3.13Å; L547-R549 HydrophobicContact CB-CB 4.44Å; L547-R549 HydrophobicContact CB-CG 4.31Å; L547-R549 PolarHBondContact O-N 2.9Å
550	T	98.6	Very high	98.4	Very high	96 Å²	96	61.7 Å²	61.7	59%	0.589	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.9	177.3	-57.5	0	0	0	0	110.3	I521 G542	I521-T550 VanDerWaalsContact CG2-C 3.42Å; G542-T550 VanDerWaalsContact O-CA 3.27Å; G542-T550 WeakPolarHBondContact O-CA 3.47Å; G542-T550 WeakPolarHBondContact O-CG2 3.25Å
551	G	98.4	Very high	98.3	Very high	7 Å²	7	64.7 Å²	64.7	7%	0.072	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-163.3	177.1	0	0	0	0	0	111.8	D519 I521 K541 G542	D519-G551 CarbonylContact O-C 3.51Å; D519-G551 WeakPolarHBondContact O-CA 3.03Å; I521-G551 VanDerWaalsContact CG2-N 3.29Å; K541-G551 WeakPolarHBondContact CA-O 3.26Å; G542-G551 PolarHBondContact N-O 2.86Å; G542-G551 PolarHBondContact O-N 2.89Å
552	L	98.7	Very high	98.3	Very high	39 Å²	39	63.4 Å²	63.4	20%	0.204	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	147.3	-176.8	-57.5	179.2	0	0	0	111.9	D519 E520 I521 H535 Y539 S540 K541	D519-L552 HydrophobicContact CB-CD1 4.32Å; D519-L552 PolarHBondContact O-N 3.12Å; E520-L552 CarbonylContact C-O 3.58Å; E520-L552 WeakPolarHBondContact CA-O 3.5Å; E520-L552 HydrophobicContact CG-CB 4.26Å; I521-L552 PolarHBondContact N-O 2.9Å; H535-L552 VanDerWaalsContact CE1-CD2 3.46Å; H535-L552 WeakPolarHBondContact CE1-CD2 2.97Å; Y539-L552 HydrophobicContact CD1-CB 4.15Å; S540-L552 CarbonylContact O-C 3.4Å; S540-L552 VanDerWaalsContact O-CA 3.29Å; S540-L552 WeakPolarHBondContact O-CA 3.46Å; K541-L552 HydrophobicContact CB-CD2 4.03Å; K541-L552 HydrophobicContact CG-CD2 4.36Å
553	Y	98.8	Very high	98.3	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.7	170.4	58.6	-85.8	0	0	0	110.6	Q507 I521 M523 I529 V531 Y539 S540 S555 V558	Q507-Y553 PolarHBondContact OE1-OH 3.3Å; I521-Y553 HydrophobicContact CD1-CD1 3.72Å; I521-Y553 HydrophobicContact CD1-CE1 4.44Å; I521-Y553 HydrophobicContact CD1-CG 4.41Å; I521-Y553 HydrophobicContact CG1-CD1 4.16Å; M523-Y553 HydrophobicContact CE-CD2 4.16Å; M523-Y553 HydrophobicContact CE-CG 4.24Å; M523-Y553 HydrophobicContact SD-CD2 4.04Å; M523-Y553 HydrophobicContact SD-CG 3.93Å; I529-Y553 HydrophobicContact CG2-CD1 4.2Å; I529-Y553 HydrophobicContact CG2-CE1 3.54Å; I529-Y553 HydrophobicContact CG2-CE2 4.26Å; V531-Y553 WeakPolarHBondContact CG2-OH 3.39Å; Y539-Y553 WeakPolarHBondContact CA-O 3.48Å; S540-Y553 PolarHBondContact N-O 2.84Å; S540-Y553 WeakPolarHBondContact O-CD1 3.38Å; S540-Y553 PolarHBondContact O-N 3.4Å; Y553-S555 PolarHBondContact O-N 2.95Å; Y553-V558 HydrophobicContact CD2-CG1 3.92Å; Y553-V558 HydrophobicContact CE2-CB 4.45Å; Y553-V558 HydrophobicContact CE2-CG1 3.71Å; Y553-V558 HydrophobicContact CE2-CG2 3.89Å
554	P	98.8	Very high	98.2	Very high	11 Å²	11	67.9 Å²	67.9	7%	0.071	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.9	177.9	-22.4	31.9	0	0	0	111.7	H513 G538 Y539 Y556 K557	H513-P554 WeakPolarHBondContact CD2-CD 3.38Å; H513-P554 VanDerWaalsContact NE2-CD 3.32Å; H513-P554 WeakPolarHBondContact NE2-CD 3.38Å; G538-P554 WeakPolarHBondContact O-CA 3.42Å; Y539-P554 HydrophobicContact CD1-CG 4.33Å; Y539-P554 HydrophobicContact CE1-CG 3.89Å; P554-Y556 PolarHBondContact O-N 3.36Å; P554-Y556 HydrophobicContact CB-CE1 3.62Å; P554-Y556 HydrophobicContact CB-CD1 3.86Å; P554-Y556 VanDerWaalsContact C-N 3.26Å; P554-K557 HydrophobicContact CB-CD 4.18Å; P554-K557 HydrophobicContact CB-CG 4.15Å; P554-K557 HydrophobicContact CG-CD 4.15Å; P554-K557 WeakPolarHBondContact O-CB 3.36Å; P554-K557 PolarHBondContact O-N 3.41Å; P554-K557 VanDerWaalsContact O-N 3.07Å
555	S	98.6	Very high	98.2	Very high	26 Å²	26	69 Å²	69	18%	0.182	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-63.1	-29.1	-170.6	-48.9	0	0	0	0	113.6	G538 Y539 S540 Y553 K557 V558	G538-S555 PolarHBondContact O-N 3.47Å; G538-S555 PolarHBondContact O-OG 3.04Å; Y539-S555 PolarHBondContact O-OG 3.29Å; S540-S555 PolarHBondContact OG-OG 2.87Å; S540-S555 WeakPolarHBondContact OG-CB 3.32Å; S540-S555 PolarHBondContact N-OG 3.34Å; Y553-S555 PolarHBondContact O-N 2.95Å; S555-K557 PolarHBondContact O-N 2.82Å; S555-V558 WeakPolarHBondContact O-CG2 3.47Å
556	Y	98.5	Very high	98.3	Very high	158 Å²	158	71.1 Å²	71.1	62%	0.62	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-73.2	-9.4	179	79.4	-87.6	0	0	0	114.1	Y511 P554 V558	Y511-Y556 HydrophobicContact CD2-CD2 4.41Å; Y511-Y556 HydrophobicContact CD2-CE2 4.36Å; P554-Y556 PolarHBondContact O-N 3.36Å; P554-Y556 HydrophobicContact CB-CE1 3.62Å; P554-Y556 HydrophobicContact CB-CD1 3.86Å; P554-Y556 VanDerWaalsContact C-N 3.26Å; Y556-V558 VanDerWaalsContact C-N 3.33Å
557	K	98.8	Very high	98.3	Very high	28 Å²	28	64.6 Å²	64.6	12%	0.122	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-90	5.1	-175.9	-68.1	-169.4	174.7	-171	0	114.7	I510 Y511 A512 H513 M523 P554 S555	I510-K557 VanDerWaalsContact CG1-C 3.5Å; I510-K557 WeakPolarHBondContact CG1-O 3.35Å; I510-K557 PolarHBondContact N-O 3.43Å; Y511-K557 HydrophobicContact CD2-CG 4.33Å; Y511-K557 PolarHBondContact N-O 3.33Å; A512-K557 PolarHBondContact O-NZ 2.87Å; H513-K557 HydrophobicContact CB-CD 3.95Å; M523-K557 HydrophobicContact CE-CB 3.86Å; M523-K557 HydrophobicContact CE-CD 4.33Å; P554-K557 HydrophobicContact CB-CD 4.18Å; P554-K557 HydrophobicContact CB-CG 4.15Å; P554-K557 HydrophobicContact CG-CD 4.15Å; P554-K557 WeakPolarHBondContact O-CB 3.36Å; P554-K557 PolarHBondContact O-N 3.41Å; P554-K557 VanDerWaalsContact O-N 3.07Å; S555-K557 PolarHBondContact O-N 2.82Å
558	V	98.8	Very high	98.4	Very high	16 Å²	16	61.4 Å²	61.4	10%	0.097	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	161.4	-178.3	-65.9	0	0	0	0	110.4	Q507 I508 M523 I529 Y553 S555 Y556	Q507-V558 HydrophobicContact CB-CB 4.04Å; Q507-V558 HydrophobicContact CB-CG2 4.41Å; I508-V558 CarbonylContact O-C 3.56Å; I508-V558 VanDerWaalsContact O-CA 3.32Å; I508-V558 WeakPolarHBondContact O-CA 3.49Å; M523-V558 HydrophobicContact CE-CG1 4.45Å; M523-V558 HydrophobicContact SD-CG1 4.19Å; I529-V558 HydrophobicContact CG1-CG1 4.24Å; Y553-V558 HydrophobicContact CD2-CG1 3.92Å; Y553-V558 HydrophobicContact CE2-CB 4.45Å; Y553-V558 HydrophobicContact CE2-CG1 3.71Å; Y553-V558 HydrophobicContact CE2-CG2 3.89Å; S555-V558 WeakPolarHBondContact O-CG2 3.47Å; Y556-V558 VanDerWaalsContact C-N 3.33Å
559	R	98.3	Very high	98.4	Very high	157 Å²	157	61.5 Å²	61.5	59%	0.592	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.7	169.3	-175.6	-171.4	68	-179.4	-2.1	108.9	Q507 I508 I510	Q507-R559 CarbonylContact C-O 3.5Å; Q507-R559 VanDerWaalsContact CA-O 3.31Å; Q507-R559 WeakPolarHBondContact CA-O 3.28Å; Q507-R559 WeakPolarHBondContact CB-O 3.23Å; I508-R559 PolarHBondContact N-O 2.82Å; I508-R559 PolarHBondContact O-N 3.1Å; I510-R559 HydrophobicContact CG2-CB 3.87Å
560	E	98.2	Very high	98.4	Very high	87 Å²	87	56.3 Å²	56.3	41%	0.407	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	137.6	172.9	-67.4	-55.9	135.9	0	0	112.3	H505 Q507	H505-E560 IonicContact CD2-OE2 3.95Å; H505-E560 IonicContact CE1-OE2 3.06Å; H505-E560 IonicContact NE2-OE1 3.54Å; H505-E560 IonicContact NE2-OE2 3.01Å; H505-E560 PolarHBondContact NE2-OE2 3.22Å; Q507-E560 PolarHBondContact NE2-OE1 2.88Å
561	K	98.3	Very high	98.4	Very high	67 Å²	67	55.2 Å²	55.2	29%	0.291	27%	0.269	S	S	.	.			trans	-97.6	98.4	171.2	-173.1	179.7	-177.3	-73.1	0	108.6	N506 I508 E563	N506-K561 HydrophobicContact CB-CB 4.25Å; N506-K561 HydrophobicContact CB-CD 4.11Å; N506-K561 WeakPolarHBondContact O-CB 3.46Å; N506-K561 PolarHBondContact O-N 3.35Å; N506-K561 VanDerWaalsContact O-N 3.07Å; I508-K561 HydrophobicContact CD1-CB 4.2Å; I508-K561 HydrophobicContact CD1-CD 4.28Å; I508-K561 HydrophobicContact CD1-CG 4.01Å; I508-K561 HydrophobicContact CG1-CB 4.15Å; I508-K561 HydrophobicContact CG1-CD 4.3Å; I508-K561 HydrophobicContact CG1-CG 4.31Å; K561-E563 PolarHBondContact NZ-OE1 3.13Å; K561-E563 PolarHBondContact O-N 3.24Å; K561-E563 PolarHBondContact NZ-OE2 2.7Å; K561-E563 IonicContact NZ-OE1 2.77Å; K561-E563 IonicContact NZ-OE2 3.74Å
562	I	97.6	Very high	98.3	Very high	70 Å²	70	58.8 Å²	58.8	36%	0.359	28%	0.284	S	S	.	.			trans	-71.4	116.9	176.5	-58.2	175.4	0	0	0	108.7	V308 I317 P323	V308-I562 HydrophobicContact CG2-CG2 3.98Å; I317-I562 HydrophobicContact CD1-CD1 3.67Å; I317-I562 HydrophobicContact CG1-CD1 3.5Å; I317-I562 VanDerWaalsContact CG1-CD1 3.5Å; P323-I562 HydrophobicContact CG-CD1 4.19Å
563	E	97.5	Very high	98.2	Very high	63 Å²	63	57.5 Å²	57.5	29%	0.294	28%	0.279	S	S	.	.			trans	-89.6	133.8	175.8	-57.4	-66.9	-175	0	0	109.7	A307 V308 K561	A307-E563 CarbonylContact C-O 3.49Å; A307-E563 VanDerWaalsContact CA-O 3.23Å; A307-E563 WeakPolarHBondContact CA-O 3.43Å; A307-E563 HydrophobicContact CB-CB 3.93Å; V308-E563 PolarHBondContact N-O 3.15Å; K561-E563 PolarHBondContact NZ-OE1 3.13Å; K561-E563 PolarHBondContact O-N 3.24Å; K561-E563 PolarHBondContact NZ-OE2 2.7Å; K561-E563 IonicContact NZ-OE1 2.77Å; K561-E563 IonicContact NZ-OE2 3.74Å
564	T	98.4	Very high	97.7	Very high	70 Å²	70	62.4 Å²	62.4	43%	0.429	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.6	178	59.2	0	0	0	0	111	V308 A313	V308-T564 HydrophobicContact CG2-CG2 4.28Å; V308-T564 CarbonylContact O-C 3.38Å; V308-T564 WeakPolarHBondContact O-CA 3.29Å; A313-T564 HydrophobicContact CB-CG2 3.6Å
565	V	98.4	Very high	96.6	Very high	22 Å²	22	72.8 Å²	72.8	13%	0.133	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.1	177.5	169.3	0	0	0	0	109.4	P302 Y303 A307 V308 P309 E310 Y567	P302-V565 HydrophobicContact CB-CG1 3.88Å; P302-V565 HydrophobicContact CB-CG2 4.25Å; P302-V565 HydrophobicContact CG-CG1 4.23Å; P302-V565 WeakPolarHBondContact O-CG2 3.39Å; Y303-V565 HydrophobicContact CD1-CG1 3.75Å; Y303-V565 HydrophobicContact CE1-CG1 3.91Å; A307-V565 HydrophobicContact CB-CB 4.39Å; A307-V565 HydrophobicContact CB-CG2 3.56Å; V308-V565 PolarHBondContact O-N 3.3Å; P309-V565 WeakPolarHBondContact CA-O 3.36Å; E310-V565 PolarHBondContact N-O 3.43Å; V565-Y567 HydrophobicContact CB-CD2 3.96Å; V565-Y567 HydrophobicContact CB-CE2 3.81Å; V565-Y567 HydrophobicContact CG1-CD2 3.81Å; V565-Y567 HydrophobicContact CG1-CE2 3.77Å; V565-Y567 WeakPolarHBondContact O-CD2 3.37Å; V565-Y567 PolarHBondContact O-N 3.48Å
566	K	98.6	Very high	96.5	Very high	166 Å²	166	75.2 Å²	75.2	72%	0.722	35%	0.354	S	S	*	.			trans	-76.2	91.2	175.8	-170.3	174.1	-176.7	173.1	0	110.9
567	Y	98.8	Very high	96.4	Very high	10 Å²	10	70.8 Å²	70.8	4%	0.039	34%	0.34	C	S	.	.			trans	-84.2	160	172.1	-82.3	-94.7	0	0	0	111.9	Y235 Y303 P309 W327 V565	Y235-Y567 AromaticContact CD1-CD1 3.66Å; Y235-Y567 HydrophobicContact CD1-CD1 3.66Å; Y235-Y567 HydrophobicContact CD1-CE1 4.16Å; Y235-Y567 HydrophobicContact CE1-CD1 4.06Å; Y303-Y567 WeakPolarHBondContact CA-OH 3.47Å; Y303-Y567 WeakPolarHBondContact CB-OH 3.27Å; Y303-Y567 AromaticContact CD1-CD1 3.61Å; Y303-Y567 HydrophobicContact CD1-CD1 3.61Å; Y303-Y567 HydrophobicContact CD1-CD2 4.15Å; Y303-Y567 AromaticContact CD1-CE1 3.43Å; Y303-Y567 HydrophobicContact CD1-CE1 3.43Å; Y303-Y567 VanDerWaalsContact CD1-CE1 3.43Å; Y303-Y567 AromaticContact CD1-CE2 3.97Å; Y303-Y567 HydrophobicContact CD1-CE2 3.97Å; Y303-Y567 HydrophobicContact CD1-CG 4.02Å; Y303-Y567 AromaticContact CD1-CZ 3.64Å; Y303-Y567 HydrophobicContact CE1-CD1 4.14Å; Y303-Y567 HydrophobicContact CE1-CE1 4.38Å; Y303-Y567 HydrophobicContact CE1-CG 4.33Å; Y303-Y567 HydrophobicContact CG-CD1 4.43Å; Y303-Y567 AromaticContact CG-CE1 3.9Å; Y303-Y567 HydrophobicContact CG-CE1 3.9Å; Y303-Y567 PolarHBondContact O-OH 3.47Å; P309-Y567 HydrophobicContact CB-CD2 4.1Å; P309-Y567 HydrophobicContact CB-CG 4.39Å; P309-Y567 HydrophobicContact CG-CD2 3.94Å; P309-Y567 HydrophobicContact CG-CE2 4.41Å; P309-Y567 HydrophobicContact CG-CG 4.23Å; W327-Y567 HydrophobicContact CZ2-CD1 4.25Å; W327-Y567 HydrophobicContact CZ2-CE1 4.07Å; W327-Y567 AromaticContact NE1-CZ 3.79Å; V565-Y567 HydrophobicContact CB-CD2 3.96Å; V565-Y567 HydrophobicContact CB-CE2 3.81Å; V565-Y567 HydrophobicContact CG1-CD2 3.81Å; V565-Y567 HydrophobicContact CG1-CE2 3.77Å; V565-Y567 WeakPolarHBondContact O-CD2 3.37Å; V565-Y567 PolarHBondContact O-N 3.48Å
568	P	98.5	Very high	96.2	Very high	21 Å²	21	73.2 Å²	73.2	14%	0.136	35%	0.352	C	S	.	.			trans	-65.6	142.2	167.2	-16	29.9	0	0	0	111.5	G236 Q238 Y570	G236-P568 WeakPolarHBondContact O-CD 3.49Å; G236-P568 WeakPolarHBondContact O-CG 3.49Å; Q238-P568 HydrophobicContact CG-CB 3.81Å; Q238-P568 HydrophobicContact CG-CG 3.49Å; Q238-P568 VanDerWaalsContact CG-CG 3.49Å; P568-Y570 HydrophobicContact CG-CE2 4.35Å; P568-Y570 WeakPolarHBondContact O-CD2 3.48Å; P568-Y570 HydrophobicContact CB-CE2 3.72Å; P568-Y570 HydrophobicContact CB-CE1 4.5Å; P568-Y570 HydrophobicContact CB-CD2 4.18Å
569	T	98.3	Very high	96.1	Very high	61 Å²	61	76.5 Å²	76.5	37%	0.374	37%	0.367	S	S	.	.			trans	-99.6	-7.8	-176.3	59.8	0	0	0	0	114.2	R194 D311	R194-T569 WeakPolarHBondContact CD-O 3.29Å; R194-T569 VanDerWaalsContact CZ-O 3.24Å; R194-T569 PolarHBondContact NE-O 3.26Å; D311-T569 HydrophobicContact CB-CG2 4.03Å
570	Y	98.3	Very high	95.9	Very high	8 Å²	8	71.5 Å²	71.5	3%	0.031	35%	0.353	C	S	.	.			trans	45.2	56.3	177.6	-59.1	-81.8	0	0	0	114.3	R194 Y197 L198 Y235 Q238 P568 E572 A573	R194-Y570 HydrophobicContact CB-CD2 4.15Å; R194-Y570 HydrophobicContact CB-CG 4.44Å; Y197-Y570 AromaticContact CD1-CD1 3.88Å; Y197-Y570 HydrophobicContact CD1-CD1 3.88Å; Y197-Y570 HydrophobicContact CD1-CG 4.48Å; Y197-Y570 HydrophobicContact CE1-CD1 4.03Å; L198-Y570 HydrophobicContact CB-CE1 4.23Å; L198-Y570 HydrophobicContact CD1-CE1 3.95Å; Y235-Y570 HydrophobicContact CD1-CE2 4.05Å; Y235-Y570 AromaticContact CD2-CE2 3.89Å; Y235-Y570 HydrophobicContact CD2-CE2 3.89Å; Y235-Y570 HydrophobicContact CE1-CD2 4.25Å; Y235-Y570 AromaticContact CE1-CE2 3.7Å; Y235-Y570 HydrophobicContact CE1-CE2 3.7Å; Y235-Y570 AromaticContact CE2-CD2 3.88Å; Y235-Y570 HydrophobicContact CE2-CD2 3.88Å; Y235-Y570 AromaticContact CE2-CE2 3.55Å; Y235-Y570 HydrophobicContact CE2-CE2 3.55Å; Y235-Y570 HydrophobicContact CG-CE2 4.14Å; Y235-Y570 AromaticContact CZ-CD2 3.66Å; Y235-Y570 AromaticContact CZ-CE2 3.44Å; Y235-Y570 VanDerWaalsContact CZ-CE2 3.44Å; Y235-Y570 PolarHBondContact O-OH 3.07Å; Q238-Y570 WeakPolarHBondContact CA-OH 3.25Å; Q238-Y570 HydrophobicContact CB-CE1 4.44Å; Q238-Y570 HydrophobicContact CG-CE1 4.17Å; P568-Y570 HydrophobicContact CG-CE2 4.35Å; P568-Y570 WeakPolarHBondContact O-CD2 3.48Å; P568-Y570 HydrophobicContact CB-CE2 3.72Å; P568-Y570 HydrophobicContact CB-CE1 4.5Å; P568-Y570 HydrophobicContact CB-CD2 4.18Å; Y570-E572 PolarHBondContact O-N 3.17Å; Y570-E572 VanDerWaalsContact O-N 3.09Å; Y570-A573 VanDerWaalsContact O-CB 3.29Å; Y570-A573 WeakPolarHBondContact O-CB 3.46Å; Y570-A573 PolarHBondContact O-N 3.22Å
571	P	97.8	Very high	95.8	Very high	72 Å²	72	70.5 Å²	70.5	47%	0.468	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.2	-176.5	28.2	-36.7	0	0	0	113.6	A573 E574	P571-A573 PolarHBondContact O-N 3.03Å; P571-E574 PolarHBondContact O-N 3.47Å
572	E	96.9	Very high	95.6	Very high	83 Å²	83	70.7 Å²	70.7	39%	0.388	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-68.5	-19.5	175.1	-57.6	78.3	-169	0	0	113.1	Y197 Y570 E574 K575	Y197-E572 HydrophobicContact CE1-CB 4.3Å; Y197-E572 HydrophobicContact CE2-CB 3.72Å; Y197-E572 WeakPolarHBondContact OH-CB 3.41Å; Y570-E572 PolarHBondContact O-N 3.17Å; Y570-E572 VanDerWaalsContact O-N 3.09Å; E572-E574 PolarHBondContact O-N 2.89Å; E572-K575 PolarHBondContact O-N 3.21Å
573	A	95.5	Very high	95.5	Very high	12 Å²	12	70.8 Å²	70.8	10%	0.099	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-70.7	-14.3	177.8	0	0	0	0	0	113.2	R193 R194 Y197 Y570 P571	R193-A573 WeakPolarHBondContact CD-O 3.4Å; R193-A573 HydrophobicContact CG-CB 4.31Å; R193-A573 WeakPolarHBondContact CG-O 3.31Å; R194-A573 HydrophobicContact CG-CB 4.49Å; Y197-A573 HydrophobicContact CD1-CB 4.48Å; Y197-A573 HydrophobicContact CD2-CB 4.23Å; Y197-A573 HydrophobicContact CG-CB 3.86Å; Y570-A573 VanDerWaalsContact O-CB 3.29Å; Y570-A573 WeakPolarHBondContact O-CB 3.46Å; Y570-A573 PolarHBondContact O-N 3.22Å; P571-A573 PolarHBondContact O-N 3.03Å
574	E	88.1	Confident	95.3	Very high	103 Å²	103	71.4 Å²	71.4	48%	0.481	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-92	-5.6	178.4	-58.8	-59	131.3	0	0	113.4	L190 R193 P571 E572	L190-E574 VanDerWaalsContact CD1-OE1 3.3Å; L190-E574 WeakPolarHBondContact CD1-OE1 3.35Å; R193-E574 IonicContact CZ-OE1 2.62Å; R193-E574 IonicContact CZ-OE2 3.82Å; R193-E574 IonicContact NH1-OE1 2.8Å; R193-E574 PolarHBondContact NH1-OE1 3.48Å; R193-E574 IonicContact NH1-OE2 3.28Å; R193-E574 PolarHBondContact NH1-OE2 3.39Å; P571-E574 PolarHBondContact O-N 3.47Å; E572-E574 PolarHBondContact O-N 2.89Å
575	K	75.9	Confident	95	Very high	229 Å²	229	71.5 Å²	71.5	100%	0.996	35%	0.352	S	S	*	.			trans	-100.8	0	180	-60.3	178.3	-175.9	173.3	0	110.1	E572	E572-K575 PolarHBondContact O-N 3.21Å

Retrieved 575 of 575 residues in 222 ms (Link to these results)

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