A0A087Y958_POEFO Loading...

procollagen-proline 3-dioxygenase

AlphaFold DB , UniProt , Accession A0A087Y958, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 682 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	32.5	Very low	31.6	Very low	225 Å²	225	143.6 Å²	143.6	100%	1.108	82%	0.82	S	S	*	*				0	108.9	0	-61.2	173	103.6	0	0	105.7
2	D	31.8	Very low	31.5	Very low	155 Å²	155	140.3 Å²	140.3	83%	0.829	81%	0.812	S	S	*	*			cis	-154.6	142.4	1.6	-70.9	-46.4	0	0	0	102.7
3	G	28.5	Very low	31.9	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	81%	0.806	S	S	*	*				123	101.9	52.1	0	0	0	0	0	107.1
4	N	30.6	Very low	31.9	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	81%	0.808	S	S	*	*			trans	-13.4	148.8	163.2	-72.7	-26.6	0	0	0	118.3
5	L	29	Very low	32	Very low	168 Å²	168	143.1 Å²	143.1	88%	0.88	81%	0.807	S	S	*	*				-173.2	103.2	115.3	-95.6	146.6	0	0	0	112
6	C	28.6	Very low	32	Very low	116 Å²	116	144.9 Å²	144.9	78%	0.784	81%	0.813	S	S	*	*			trans	-84	150.4	146	-143.3	0	0	0	0	106.5
7	P	40.2	Very low	32.1	Very low	103 Å²	103	142.4 Å²	142.4	67%	0.669	81%	0.807	S	S	*	*				-147.5	179.3	74	37.5	-16	0	0	0	111.5
8	L	29.7	Very low	31.9	Very low	143 Å²	143	138.2 Å²	138.2	75%	0.749	80%	0.8	S	S	*	*			cis	-178.4	115.5	32.4	-140.2	152.4	0	0	0	105.5
9	V	31	Very low	31.8	Very low	139 Å²	139	138.4 Å²	138.4	84%	0.842	80%	0.798	S	S	*	*			trans	-150.6	98.9	152.9	-174.5	0	0	0	0	110
10	I	31.6	Very low	31.9	Very low	145 Å²	145	139.5 Å²	139.5	74%	0.744	80%	0.8	S	S	*	*			trans	43.4	117.3	134.2	-53.4	174.9	0	0	0	118.7
11	L	34.1	Very low	31.9	Very low	158 Å²	158	140.3 Å²	140.3	83%	0.827	80%	0.801	S	S	*	*			trans	-50.1	133.7	162.6	-88.2	83.5	0	0	0	113
12	S	30.4	Very low	32	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	79%	0.788	S	S	*	*			trans	-147.5	111.6	140.2	53.4	0	0	0	0	109.6
13	V	36.7	Very low	31.9	Very low	120 Å²	120	135.7 Å²	135.7	73%	0.727	79%	0.788	S	S	*	*			trans	-65.3	121.6	171.5	171.8	0	0	0	0	108.7
14	F	32	Very low	32.4	Very low	191 Å²	191	136.8 Å²	136.8	84%	0.838	78%	0.784	S	S	*	*			trans	-123	116.2	156.5	-92	-79.8	0	0	0	108.8	L16	F14-L16 PolarHBondContact O-N 2.83Å
15	L	34.1	Very low	33.2	Very low	152 Å²	152	132.8 Å²	132.8	80%	0.796	77%	0.773	S	S	*	*			trans	-58.3	123.1	168.6	-72.5	144.1	0	0	0	109.6
16	L	32.1	Very low	34.7	Very low	172 Å²	172	129.2 Å²	129.2	90%	0.901	77%	0.768	S	S	*	*			trans	-118.9	86.9	155.4	-83.5	164.4	0	0	0	107.1	F14 G18	F14-L16 PolarHBondContact O-N 2.83Å; L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 3.08Å
17	S	32.4	Very low	37.1	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	75%	0.754	S	S	*	*			trans	-60.7	94	154.5	43.8	0	0	0	0	108	D19	S17-D19 PolarHBondContact O-N 3.49Å
18	G	29.6	Very low	39.3	Very low	66 Å²	66	126.7 Å²	126.7	68%	0.68	74%	0.735	S	S	*	*			trans	-86.1	96.6	164.5	0	0	0	0	0	108.5	L16 L20	L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 3.08Å; G18-L20 VanDerWaalsContact C-N 3.35Å; G18-L20 PolarHBondContact O-N 3.06Å
19	D	30.3	Very low	42.2	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	73%	0.725	S	S	*	*			trans	-59.3	96.3	166.3	-76.3	-44.7	0	0	0	109.3	S17 L21	S17-D19 PolarHBondContact O-N 3.49Å; D19-L21 PolarHBondContact O-N 2.71Å
20	L	32.6	Very low	45.1	Very low	159 Å²	159	120 Å²	120	83%	0.832	69%	0.693	S	S	*	*			trans	-70.1	79.8	156.8	-84.2	157.9	0	0	0	107.2	G18 L22	G18-L20 VanDerWaalsContact C-N 3.35Å; G18-L20 PolarHBondContact O-N 3.06Å; L20-L22 PolarHBondContact O-N 2.71Å
21	L	32.7	Very low	48	Very low	158 Å²	158	113.3 Å²	113.3	83%	0.827	66%	0.659	S	S	*	*			trans	-62	91.6	158.1	-82	161.2	0	0	0	107	D19 C23	D19-L21 PolarHBondContact O-N 2.71Å; L21-C23 PolarHBondContact O-N 3.44Å
22	L	34	Very low	50.6	Low	158 Å²	158	108.3 Å²	108.3	83%	0.827	63%	0.633	S	S	*	*			trans	-56.2	96.6	156.2	-87.7	113.6	0	0	0	106.7	L20 S24	L20-L22 PolarHBondContact O-N 2.71Å; L22-S24 PolarHBondContact O-N 2.89Å
23	C	30.9	Very low	53.5	Low	124 Å²	124	107.4 Å²	107.4	84%	0.838	62%	0.619	S	S	*	*			trans	-72.1	71.9	166.3	-154.3	0	0	0	0	107.3	L21 A25	L21-C23 PolarHBondContact O-N 3.44Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.48Å
24	S	37.6	Very low	56.3	Low	97 Å²	97	102 Å²	102	68%	0.678	59%	0.587	S	S	*	*			trans	-62.1	105	158.4	-179.7	0	0	0	0	105	L22 A26	L22-S24 PolarHBondContact O-N 2.89Å; S24-A26 VanDerWaalsContact C-N 3.28Å; S24-A26 PolarHBondContact O-N 2.97Å
25	A	47.2	Very low	59.3	Low	70 Å²	70	93.6 Å²	93.6	58%	0.579	55%	0.549	S	S	*	.			trans	-58.6	101.6	166.8	0	0	0	0	0	106.1	C23 F27	C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.48Å; A25-F27 PolarHBondContact O-N 3.47Å
26	A	62	Low	62	Low	94 Å²	94	90.3 Å²	90.3	78%	0.777	53%	0.533	S	S	*	.			trans	-63.6	109.8	175.9	0	0	0	0	0	106.6	S24	S24-A26 VanDerWaalsContact C-N 3.28Å; S24-A26 PolarHBondContact O-N 2.97Å
27	F	77.6	Confident	65	Low	115 Å²	115	83 Å²	83	50%	0.504	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-59.9	147.7	172.3	-67.5	-72.4	0	0	0	109	A25 E29	A25-F27 PolarHBondContact O-N 3.47Å; F27-E29 PolarHBondContact O-N 3.3Å
28	L	87.1	Confident	67.9	Low	51 Å²	51	78.2 Å²	78.2	27%	0.267	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-58.5	134.8	171.7	-66.6	178.9	0	0	0	108.9	V64 I67 L109 H115	L28-V64 HydrophobicContact CD1-CG2 4.12Å; L28-I67 HydrophobicContact CD1-CD1 4.09Å; L28-L109 HydrophobicContact CB-CD2 4.4Å; L28-L109 HydrophobicContact CD1-CD2 3.72Å; L28-L109 HydrophobicContact CG-CD2 4.26Å; L28-H115 PolarHBondContact O-CE1 3.08Å; L28-H115 PolarHBondContact O-NE2 3.19Å
29	E	90.9	Very high	70.6	Confident	115 Å²	115	76.3 Å²	76.3	54%	0.537	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-70.1	148.6	172.5	-74.1	-177.7	90	0	0	110.3	F27 V31 L34 S60	F27-E29 PolarHBondContact O-N 3.3Å; E29-V31 PolarHBondContact O-N 3.14Å; E29-L34 HydrophobicContact CB-CD1 3.73Å; E29-L34 HydrophobicContact CB-CD2 4.24Å; E29-L34 HydrophobicContact CB-CG 4.01Å; E29-S60 WeakPolarHBondContact O-CB 3.4Å; E29-S60 PolarHBondContact O-OG 3.38Å
30	P	91.6	Very high	73.4	Confident	25 Å²	25	76.7 Å²	76.7	16%	0.162	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-59.8	135.7	-179	-19	29.9	0	0	0	112.3	D32 L33 L34 V114	P30-D32 WeakPolarHBondContact CB-OD1 3.35Å; P30-D32 PolarHBondContact O-N 3.22Å; P30-L33 HydrophobicContact CB-CB 3.92Å; P30-L33 HydrophobicContact CG-CB 4.25Å; P30-L33 HydrophobicContact CG-CD2 4.33Å; P30-L33 PolarHBondContact O-N 3.38Å; P30-L34 WeakPolarHBondContact O-CG 3.48Å; P30-L34 PolarHBondContact O-N 2.85Å; P30-L34 VanDerWaalsContact O-N 3.13Å; P30-V114 HydrophobicContact CB-CG1 4.34Å; P30-V114 HydrophobicContact CG-CG1 3.6Å
31	V	91.7	Very high	76.1	Confident	6 Å²	6	69.8 Å²	69.8	4%	0.036	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-45.1	-176.7	177.2	0	0	0	0	111.7	E29 L34 Y35 H61 V117 V121 F125	E29-V31 PolarHBondContact O-N 3.14Å; V31-L34 PolarHBondContact O-N 2.94Å; V31-Y35 VanDerWaalsContact O-CB 3.25Å; V31-Y35 WeakPolarHBondContact O-CB 3.38Å; V31-Y35 PolarHBondContact O-N 2.87Å; V31-H61 HydrophobicContact CG1-CB 4.12Å; V31-H61 HydrophobicContact CG2-CB 4.05Å; V31-V117 HydrophobicContact CB-CG1 3.93Å; V31-V117 HydrophobicContact CG1-CG1 4.36Å; V31-V121 HydrophobicContact CG1-CG1 4.44Å; V31-F125 HydrophobicContact CG1-CE1 4.01Å; V31-F125 HydrophobicContact CG1-CE2 3.8Å; V31-F125 HydrophobicContact CG1-CZ 3.41Å; V31-F125 VanDerWaalsContact CG1-CZ 3.41Å
32	D	89	Confident	78.7	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-45.2	178.8	56.1	-16.5	0	0	0	112.1	P30 L34 Y35 D36 V117	P30-D32 WeakPolarHBondContact CB-OD1 3.35Å; P30-D32 PolarHBondContact O-N 3.22Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 2.87Å; D32-Y35 PolarHBondContact O-N 2.82Å; D32-D36 WeakPolarHBondContact O-CB 3.26Å; D32-D36 PolarHBondContact O-N 3.35Å; D32-V117 HydrophobicContact CB-CG1 4.26Å
33	L	92.5	Very high	81	Confident	84 Å²	84	58.8 Å²	58.8	44%	0.44	33%	0.332	S	S	.	.	H	α-helix	trans	-58.6	-45.5	176.8	178.4	64	0	0	0	111.9	P30 S37	P30-L33 HydrophobicContact CB-CB 3.92Å; P30-L33 HydrophobicContact CG-CB 4.25Å; P30-L33 HydrophobicContact CG-CD2 4.33Å; P30-L33 PolarHBondContact O-N 3.38Å; L33-S37 VanDerWaalsContact O-CB 3.25Å; L33-S37 WeakPolarHBondContact O-CB 3.41Å; L33-S37 PolarHBondContact O-N 3.48Å; L33-S37 VanDerWaalsContact O-N 3.08Å; L33-S37 PolarHBondContact O-OG 2.93Å
34	L	95.7	Very high	83.6	Confident	8 Å²	8	56 Å²	56	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-45.9	178.3	-71.6	171	0	0	0	110.9	E29 P30 V31 D32 S37 A38 Y53 A57	E29-L34 HydrophobicContact CB-CD1 3.73Å; E29-L34 HydrophobicContact CB-CD2 4.24Å; E29-L34 HydrophobicContact CB-CG 4.01Å; P30-L34 WeakPolarHBondContact O-CG 3.48Å; P30-L34 PolarHBondContact O-N 2.85Å; P30-L34 VanDerWaalsContact O-N 3.13Å; V31-L34 PolarHBondContact O-N 2.94Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 2.87Å; L34-S37 PolarHBondContact O-N 3.14Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.07Å; L34-Y53 HydrophobicContact CD2-CD1 3.9Å; L34-A57 HydrophobicContact CB-CB 3.73Å
35	Y	93.6	Very high	85.9	Confident	13 Å²	13	53.2 Å²	53.2	5%	0.051	31%	0.311	C	S	.	.	H	α-helix	trans	-60.1	-50.5	178.7	-175.8	-124.6	0	0	0	111.6	V31 D32 S37 A38 V39 M54 V121 D124 F125 P130	V31-Y35 VanDerWaalsContact O-CB 3.25Å; V31-Y35 WeakPolarHBondContact O-CB 3.38Å; V31-Y35 PolarHBondContact O-N 2.87Å; D32-Y35 PolarHBondContact O-N 2.82Å; Y35-S37 VanDerWaalsContact C-N 3.28Å; Y35-S37 PolarHBondContact O-N 2.97Å; Y35-A38 WeakPolarHBondContact O-CB 3.09Å; Y35-A38 PolarHBondContact O-N 2.92Å; Y35-A38 VanDerWaalsContact O-N 3.12Å; Y35-V39 HydrophobicContact CD2-CG2 4.37Å; Y35-V39 HydrophobicContact CE2-CG2 4.09Å; Y35-V39 WeakPolarHBondContact O-CG2 3.33Å; Y35-V39 PolarHBondContact O-N 3.42Å; Y35-M54 HydrophobicContact CD2-CE 4.16Å; Y35-M54 HydrophobicContact CD2-SD 3.48Å; Y35-M54 WeakPolarHBondContact CD2-SD 3.38Å; Y35-M54 HydrophobicContact CE2-CE 4.09Å; Y35-M54 HydrophobicContact CE2-SD 3.76Å; Y35-V121 HydrophobicContact CD1-CG2 4.31Å; Y35-D124 HydrophobicContact CE1-CB 4.39Å; Y35-D124 WeakPolarHBondContact CE1-OD2 3.19Å; Y35-D124 PolarHBondContact OH-OD2 2.95Å; Y35-F125 HydrophobicContact CD2-CE2 4.23Å; Y35-F125 HydrophobicContact CG-CE2 4.19Å; Y35-P130 HydrophobicContact CD2-CG 4.35Å; Y35-P130 HydrophobicContact CE2-CG 3.97Å
36	D	91.9	Very high	88.2	Confident	83 Å²	83	53.4 Å²	53.4	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-37.1	178.2	-75.1	-8.4	0	0	0	112.4	D32 R40	D32-D36 WeakPolarHBondContact O-CB 3.26Å; D32-D36 PolarHBondContact O-N 3.35Å; D36-R40 WeakPolarHBondContact O-CB 3.46Å; D36-R40 WeakPolarHBondContact O-CG 3.34Å; D36-R40 PolarHBondContact O-N 3.46Å; D36-R40 PolarHBondContact O-NE 3.37Å
37	S	93.6	Very high	89.7	Confident	20 Å²	20	52 Å²	52	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-37.4	177.4	-59.4	0	0	0	0	111.4	L33 L34 Y35 R40 A41	L33-S37 VanDerWaalsContact O-CB 3.25Å; L33-S37 WeakPolarHBondContact O-CB 3.41Å; L33-S37 PolarHBondContact O-N 3.48Å; L33-S37 VanDerWaalsContact O-N 3.08Å; L33-S37 PolarHBondContact O-OG 2.93Å; L34-S37 PolarHBondContact O-N 3.14Å; Y35-S37 VanDerWaalsContact C-N 3.28Å; Y35-S37 PolarHBondContact O-N 2.97Å; S37-R40 PolarHBondContact OG-NH2 3.05Å; S37-A41 WeakPolarHBondContact O-CB 3.49Å; S37-A41 PolarHBondContact O-N 3.34Å
38	A	93.1	Very high	90.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-45.9	173.4	0	0	0	0	0	111.7	L34 Y35 A41 F42 M54	L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.07Å; Y35-A38 WeakPolarHBondContact O-CB 3.09Å; Y35-A38 PolarHBondContact O-N 2.92Å; Y35-A38 VanDerWaalsContact O-N 3.12Å; A38-A41 PolarHBondContact O-N 3.25Å; A38-F42 WeakPolarHBondContact O-CB 3.18Å; A38-F42 PolarHBondContact O-N 3.09Å; A38-M54 HydrophobicContact CB-CB 3.88Å; A38-M54 HydrophobicContact CB-CE 3.4Å; A38-M54 VanDerWaalsContact CB-CE 3.4Å; A38-M54 HydrophobicContact CB-CG 4.44Å; A38-M54 HydrophobicContact CB-SD 3.73Å
39	V	87.7	Confident	91.1	Very high	26 Å²	26	52.3 Å²	52.3	16%	0.158	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.5	174.5	0	0	0	0	110.8	Y35 A41 F42 Y43 M54 Y133	Y35-V39 HydrophobicContact CD2-CG2 4.37Å; Y35-V39 HydrophobicContact CE2-CG2 4.09Å; Y35-V39 WeakPolarHBondContact O-CG2 3.33Å; Y35-V39 PolarHBondContact O-N 3.42Å; V39-A41 PolarHBondContact O-N 3.24Å; V39-F42 WeakPolarHBondContact O-CB 3.43Å; V39-F42 PolarHBondContact O-N 2.97Å; V39-Y43 HydrophobicContact CG1-CD2 3.91Å; V39-Y43 HydrophobicContact CG1-CE2 3.55Å; V39-Y43 WeakPolarHBondContact O-CD2 3.38Å; V39-Y43 PolarHBondContact O-N 2.85Å; V39-M54 HydrophobicContact CG2-CE 4.23Å; V39-Y133 HydrophobicContact CG2-CE2 4.19Å
40	R	87.9	Confident	91.4	Very high	152 Å²	152	46.9 Å²	46.9	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-60.5	-43.3	174.3	-79.5	-177.7	-85.5	115.6	-0.5	112.4	D36 S37 F42 Y43 G44	D36-R40 WeakPolarHBondContact O-CB 3.46Å; D36-R40 WeakPolarHBondContact O-CG 3.34Å; D36-R40 PolarHBondContact O-N 3.46Å; D36-R40 PolarHBondContact O-NE 3.37Å; S37-R40 PolarHBondContact OG-NH2 3.05Å; R40-F42 VanDerWaalsContact C-N 3.28Å; R40-F42 PolarHBondContact O-N 2.79Å; R40-Y43 PolarHBondContact O-N 3.39Å; R40-G44 PolarHBondContact O-N 2.98Å
41	A	90.1	Very high	91.7	Very high	14 Å²	14	46.8 Å²	46.8	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-37	176.4	0	0	0	0	0	112	S37 A38 V39 G44 G45 D46 V50	S37-A41 WeakPolarHBondContact O-CB 3.49Å; S37-A41 PolarHBondContact O-N 3.34Å; A38-A41 PolarHBondContact O-N 3.25Å; V39-A41 PolarHBondContact O-N 3.24Å; A41-G44 CarbonylContact O-C 3.58Å; A41-G44 PolarHBondContact O-N 3.15Å; A41-G45 PolarHBondContact O-N 3.31Å; A41-G45 VanDerWaalsContact O-N 3.12Å; A41-D46 PolarHBondContact O-N 3.06Å; A41-V50 HydrophobicContact CB-CG2 3.91Å
42	F	87.4	Confident	92	Very high	12 Å²	12	55.1 Å²	55.1	5%	0.053	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-48.9	179.2	-173.7	-93.2	0	0	0	111.5	A38 V39 R40 G44 G45 Y47 V50 Y133 L136 P476	A38-F42 WeakPolarHBondContact O-CB 3.18Å; A38-F42 PolarHBondContact O-N 3.09Å; V39-F42 WeakPolarHBondContact O-CB 3.43Å; V39-F42 PolarHBondContact O-N 2.97Å; R40-F42 VanDerWaalsContact C-N 3.28Å; R40-F42 PolarHBondContact O-N 2.79Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.86Å; F42-G45 PolarHBondContact O-N 3.14Å; F42-G45 VanDerWaalsContact O-N 3.11Å; F42-Y47 HydrophobicContact CD2-CD1 4.46Å; F42-Y47 HydrophobicContact CD2-CE1 4.38Å; F42-Y47 HydrophobicContact CE2-CE1 4.27Å; F42-V50 HydrophobicContact CB-CG2 3.59Å; F42-V50 HydrophobicContact CD2-CG1 4.18Å; F42-V50 HydrophobicContact CD2-CG2 4.04Å; F42-V50 HydrophobicContact CG-CG2 4.32Å; F42-Y133 HydrophobicContact CB-CD1 4.16Å; F42-Y133 HydrophobicContact CB-CE1 4.48Å; F42-Y133 AromaticContact CD1-CD1 3.78Å; F42-Y133 HydrophobicContact CD1-CD1 3.78Å; F42-Y133 AromaticContact CD1-CE1 3.8Å; F42-Y133 HydrophobicContact CD1-CE1 3.8Å; F42-Y133 AromaticContact CD2-CD1 3.8Å; F42-Y133 HydrophobicContact CD2-CD1 3.8Å; F42-Y133 HydrophobicContact CE1-CD1 4.08Å; F42-Y133 HydrophobicContact CE1-CE1 4.17Å; F42-Y133 HydrophobicContact CE2-CD1 4.1Å; F42-Y133 AromaticContact CG-CD1 3.63Å; F42-Y133 HydrophobicContact CG-CD1 3.63Å; F42-Y133 HydrophobicContact CG-CE1 4.06Å; F42-Y133 HydrophobicContact CZ-CD1 4.24Å; F42-L136 HydrophobicContact CE2-CB 3.83Å; F42-L136 HydrophobicContact CE2-CD1 4.27Å; F42-L136 HydrophobicContact CZ-CB 4.04Å; F42-L136 HydrophobicContact CZ-CD1 3.68Å; F42-P476 HydrophobicContact CE1-CB 4.33Å
43	Y	82.1	Confident	92.4	Very high	73 Å²	73	56.2 Å²	56.2	29%	0.286	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-23.9	176.2	-68.9	-65.4	0	0	0	113.4	V39 R40 G45 M471 S472	V39-Y43 HydrophobicContact CG1-CD2 3.91Å; V39-Y43 HydrophobicContact CG1-CE2 3.55Å; V39-Y43 WeakPolarHBondContact O-CD2 3.38Å; V39-Y43 PolarHBondContact O-N 2.85Å; R40-Y43 PolarHBondContact O-N 3.39Å; Y43-G45 VanDerWaalsContact C-N 3.29Å; Y43-M471 HydrophobicContact CD2-CE 4.33Å; Y43-M471 HydrophobicContact CE2-CE 4.2Å; Y43-S472 VanDerWaalsContact OH-CB 3.23Å; Y43-S472 WeakPolarHBondContact OH-CB 3.47Å; Y43-S472 PolarHBondContact OH-OG 3.29Å
44	G	84.9	Confident	92.7	Very high	66 Å²	66	52.2 Å²	52.2	68%	0.68	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.8	171.6	0	0	0	0	0	114.8	R40 A41 F42 D46	R40-G44 PolarHBondContact O-N 2.98Å; A41-G44 CarbonylContact O-C 3.58Å; A41-G44 PolarHBondContact O-N 3.15Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.86Å; G44-D46 VanDerWaalsContact C-N 3.3Å; G44-D46 PolarHBondContact O-N 3.46Å
45	G	86.7	Confident	92.8	Very high	38 Å²	38	53.8 Å²	53.8	39%	0.392	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	10.6	-176.7	0	0	0	0	0	115	A41 F42 Y43 Y47	A41-G45 PolarHBondContact O-N 3.31Å; A41-G45 VanDerWaalsContact O-N 3.12Å; F42-G45 PolarHBondContact O-N 3.14Å; F42-G45 VanDerWaalsContact O-N 3.11Å; Y43-G45 VanDerWaalsContact C-N 3.29Å; G45-Y47 WeakPolarHBondContact O-CD2 3.26Å; G45-Y47 PolarHBondContact O-N 3.29Å
46	D	94.8	Very high	92.9	Very high	74 Å²	74	54.3 Å²	54.3	40%	0.396	28%	0.282	S	S	.	.			trans	-90	77.9	177.4	-178.2	0.6	0	0	0	110.6	A41 G44 E48 S49 V50	A41-D46 PolarHBondContact O-N 3.06Å; G44-D46 VanDerWaalsContact C-N 3.3Å; G44-D46 PolarHBondContact O-N 3.46Å; D46-E48 VanDerWaalsContact C-N 3.29Å; D46-E48 PolarHBondContact O-N 2.77Å; D46-S49 VanDerWaalsContact CG-CB 3.41Å; D46-S49 VanDerWaalsContact CG-OG 3.23Å; D46-S49 PolarHBondContact O-N 2.6Å; D46-S49 PolarHBondContact OD1-N 3.01Å; D46-S49 PolarHBondContact OD1-OG 3.39Å; D46-S49 WeakPolarHBondContact OD2-CB 3.15Å; D46-S49 PolarHBondContact OD2-OG 2.96Å; D46-V50 WeakPolarHBondContact O-CG2 3.38Å; D46-V50 PolarHBondContact O-N 3.13Å
47	Y	94.3	Very high	93.1	Very high	63 Å²	63	50.3 Å²	50.3	25%	0.247	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-24.9	-174.2	-56.2	-65.8	0	0	0	114	F42 G45 V50 V51 A137 K140	F42-Y47 HydrophobicContact CD2-CD1 4.46Å; F42-Y47 HydrophobicContact CD2-CE1 4.38Å; F42-Y47 HydrophobicContact CE2-CE1 4.27Å; G45-Y47 WeakPolarHBondContact O-CD2 3.26Å; G45-Y47 PolarHBondContact O-N 3.29Å; Y47-V50 PolarHBondContact O-N 3.14Å; Y47-V51 PolarHBondContact O-N 2.89Å; Y47-V51 VanDerWaalsContact O-N 3.12Å; Y47-A137 HydrophobicContact CD1-CB 4.3Å; Y47-K140 HydrophobicContact CD1-CB 4.15Å; Y47-K140 HydrophobicContact CD1-CG 4.14Å; Y47-K140 HydrophobicContact CD2-CB 3.53Å; Y47-K140 HydrophobicContact CD2-CG 4Å; Y47-K140 HydrophobicContact CE1-CB 4.35Å; Y47-K140 HydrophobicContact CE1-CG 3.88Å; Y47-K140 HydrophobicContact CE2-CB 3.74Å; Y47-K140 HydrophobicContact CE2-CD 4.04Å; Y47-K140 HydrophobicContact CE2-CG 3.71Å; Y47-K140 HydrophobicContact CG-CB 3.74Å; Y47-K140 HydrophobicContact CG-CG 4.2Å
48	E	97.8	Very high	93.3	Very high	146 Å²	146	50.1 Å²	50.1	68%	0.682	26%	0.258	S	S	*	.	H	α-helix	trans	-67.2	-44.8	173.9	-68.7	-171.7	175.5	0	0	110.8	D46 V50 V51 R52 L141	D46-E48 VanDerWaalsContact C-N 3.29Å; D46-E48 PolarHBondContact O-N 2.77Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V51 PolarHBondContact O-N 3.03Å; E48-R52 PolarHBondContact O-N 2.83Å; E48-L141 HydrophobicContact CG-CD1 4.46Å; E48-L141 HydrophobicContact CG-CD2 3.74Å
49	S	97	Very high	93.4	Very high	28 Å²	28	53.6 Å²	53.6	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-36.6	174	-70.7	0	0	0	0	112.3	D46 R52 Y53	D46-S49 VanDerWaalsContact CG-CB 3.41Å; D46-S49 VanDerWaalsContact CG-OG 3.23Å; D46-S49 PolarHBondContact O-N 2.6Å; D46-S49 PolarHBondContact OD1-N 3.01Å; D46-S49 PolarHBondContact OD1-OG 3.39Å; D46-S49 WeakPolarHBondContact OD2-CB 3.15Å; D46-S49 PolarHBondContact OD2-OG 2.96Å; S49-R52 PolarHBondContact O-N 3.38Å; S49-Y53 WeakPolarHBondContact O-CB 3.25Å; S49-Y53 WeakPolarHBondContact O-CD2 3.15Å; S49-Y53 PolarHBondContact O-N 3.08Å
50	V	96.2	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.3	-55	173.1	176.9	0	0	0	0	110.4	A41 F42 D46 Y47 E48 R52 Y53 M54 A137	A41-V50 HydrophobicContact CB-CG2 3.91Å; F42-V50 HydrophobicContact CB-CG2 3.59Å; F42-V50 HydrophobicContact CD2-CG1 4.18Å; F42-V50 HydrophobicContact CD2-CG2 4.04Å; F42-V50 HydrophobicContact CG-CG2 4.32Å; D46-V50 WeakPolarHBondContact O-CG2 3.38Å; D46-V50 PolarHBondContact O-N 3.13Å; Y47-V50 PolarHBondContact O-N 3.14Å; E48-V50 VanDerWaalsContact C-N 3.34Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 3.42Å; V50-Y53 PolarHBondContact O-N 2.69Å; V50-M54 WeakPolarHBondContact O-CB 3.38Å; V50-M54 PolarHBondContact O-N 3.34Å; V50-A137 HydrophobicContact CB-CB 4.03Å; V50-A137 HydrophobicContact CG1-CB 3.74Å
51	V	98.1	Very high	94	Very high	23 Å²	23	47.9 Å²	47.9	14%	0.139	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-47.3	-178.9	170	0	0	0	0	110.3	Y47 E48 Y53 E55 L134 A137 Y138 L141	Y47-V51 PolarHBondContact O-N 2.89Å; Y47-V51 VanDerWaalsContact O-N 3.12Å; E48-V51 PolarHBondContact O-N 3.03Å; V51-Y53 PolarHBondContact O-N 3.05Å; V51-E55 HydrophobicContact CG1-CG 4.16Å; V51-E55 VanDerWaalsContact O-CB 3.23Å; V51-E55 WeakPolarHBondContact O-CB 3.35Å; V51-E55 VanDerWaalsContact O-CG 3.22Å; V51-E55 WeakPolarHBondContact O-CG 3.24Å; V51-E55 PolarHBondContact O-N 3.25Å; V51-L134 HydrophobicContact CB-CD2 4.49Å; V51-L134 HydrophobicContact CG2-CD2 4.27Å; V51-A137 HydrophobicContact CG2-CB 3.91Å; V51-Y138 HydrophobicContact CB-CE1 4.31Å; V51-Y138 HydrophobicContact CG1-CE1 3.58Å; V51-Y138 HydrophobicContact CG2-CD1 3.87Å; V51-Y138 HydrophobicContact CG2-CE1 3.66Å; V51-L141 HydrophobicContact CB-CD1 4.49Å; V51-L141 HydrophobicContact CG2-CD1 3.73Å
52	R	97.8	Very high	94.2	Very high	182 Å²	182	48.2 Å²	48.2	69%	0.687	27%	0.266	S	S	*	.	H	α-helix	trans	-57.5	-52.4	179.8	178.6	-179.6	172.4	165.3	-1.8	112.4	E48 S49 V50 G56	E48-R52 PolarHBondContact O-N 2.83Å; S49-R52 PolarHBondContact O-N 3.38Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 3.42Å; R52-G56 PolarHBondContact O-N 3.12Å; R52-G56 VanDerWaalsContact O-N 3.11Å
53	Y	97.9	Very high	94.5	Very high	76 Å²	76	48 Å²	48	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-74.8	-38	-174.9	-68.5	-53.4	0	0	0	112.2	L34 S49 V50 V51 G56 A57	L34-Y53 HydrophobicContact CD2-CD1 3.9Å; S49-Y53 WeakPolarHBondContact O-CB 3.25Å; S49-Y53 WeakPolarHBondContact O-CD2 3.15Å; S49-Y53 PolarHBondContact O-N 3.08Å; V50-Y53 PolarHBondContact O-N 2.69Å; V51-Y53 PolarHBondContact O-N 3.05Å; Y53-G56 CarbonylContact O-C 3.57Å; Y53-G56 PolarHBondContact O-N 3.06Å; Y53-A57 WeakPolarHBondContact O-CB 3.2Å; Y53-A57 PolarHBondContact O-N 3.11Å
54	M	97.6	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-71.5	-43	-178.1	-156.4	67.4	83.8	0	0	111.9	Y35 A38 V39 V50 G56 A57 L58 P130 Y133 L134	Y35-M54 HydrophobicContact CD2-CE 4.16Å; Y35-M54 HydrophobicContact CD2-SD 3.48Å; Y35-M54 WeakPolarHBondContact CD2-SD 3.38Å; Y35-M54 HydrophobicContact CE2-CE 4.09Å; Y35-M54 HydrophobicContact CE2-SD 3.76Å; A38-M54 HydrophobicContact CB-CB 3.88Å; A38-M54 HydrophobicContact CB-CE 3.4Å; A38-M54 VanDerWaalsContact CB-CE 3.4Å; A38-M54 HydrophobicContact CB-CG 4.44Å; A38-M54 HydrophobicContact CB-SD 3.73Å; V39-M54 HydrophobicContact CG2-CE 4.23Å; V50-M54 WeakPolarHBondContact O-CB 3.38Å; V50-M54 PolarHBondContact O-N 3.34Å; M54-G56 VanDerWaalsContact C-N 3.28Å; M54-G56 PolarHBondContact O-N 3.28Å; M54-A57 PolarHBondContact O-N 3.35Å; M54-L58 PolarHBondContact O-N 3.15Å; M54-P130 HydrophobicContact CG-CB 3.85Å; M54-P130 HydrophobicContact SD-CB 3.81Å; M54-P130 HydrophobicContact SD-CG 4.47Å; M54-Y133 VanDerWaalsContact CE-CB 3.49Å; M54-Y133 HydrophobicContact CE-CD1 4.48Å; M54-Y133 HydrophobicContact CE-CD2 3.75Å; M54-Y133 HydrophobicContact CE-CG 3.67Å; M54-L134 HydrophobicContact CB-CD1 4.43Å; M54-L134 HydrophobicContact CB-CD2 3.88Å; M54-L134 HydrophobicContact CB-CG 3.99Å; M54-L134 HydrophobicContact CG-CD1 4.1Å; M54-L134 HydrophobicContact CG-CD2 4.26Å; M54-L134 HydrophobicContact CG-CG 3.79Å
55	E	97.7	Very high	95.4	Very high	40 Å²	40	47.2 Å²	47.2	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-36.9	171.1	-68.8	-70.8	173.3	0	0	111.2	V51 A57 S59 L134 Y138 R185	V51-E55 HydrophobicContact CG1-CG 4.16Å; V51-E55 VanDerWaalsContact O-CB 3.23Å; V51-E55 WeakPolarHBondContact O-CB 3.35Å; V51-E55 VanDerWaalsContact O-CG 3.22Å; V51-E55 WeakPolarHBondContact O-CG 3.24Å; V51-E55 PolarHBondContact O-N 3.25Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-S59 VanDerWaalsContact O-CB 3.29Å; E55-S59 WeakPolarHBondContact O-CB 3.28Å; E55-S59 PolarHBondContact O-N 3.39Å; E55-L134 HydrophobicContact CG-CD1 4.46Å; E55-L134 HydrophobicContact CG-CD2 3.98Å; E55-Y138 PolarHBondContact OE1-OH 3.45Å; E55-R185 IonicContact OE1-CZ 3.69Å; E55-R185 IonicContact OE1-NH1 3.42Å; E55-R185 PolarHBondContact OE1-NH1 3.17Å; E55-R185 IonicContact OE1-NH2 3.76Å; E55-R185 PolarHBondContact OE1-NH2 3.45Å; E55-R185 IonicContact OE2-CZ 3Å; E55-R185 IonicContact OE2-NH1 2.73Å; E55-R185 IonicContact OE2-NH2 3.24Å; E55-R185 PolarHBondContact OE2-NH2 3.14Å
56	G	97.1	Very high	95.8	Very high	24 Å²	24	52.8 Å²	52.8	25%	0.247	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-45.6	171.4	0	0	0	0	0	112	R52 Y53 M54 S59 S60	R52-G56 PolarHBondContact O-N 3.12Å; R52-G56 VanDerWaalsContact O-N 3.11Å; Y53-G56 CarbonylContact O-C 3.57Å; Y53-G56 PolarHBondContact O-N 3.06Å; M54-G56 VanDerWaalsContact C-N 3.28Å; M54-G56 PolarHBondContact O-N 3.28Å; G56-S59 PolarHBondContact O-N 2.9Å; G56-S60 WeakPolarHBondContact O-CB 3.34Å; G56-S60 PolarHBondContact O-N 2.91Å
57	A	96.5	Very high	95.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-44.8	-178.8	0	0	0	0	0	111.3	L34 Y53 M54 E55 S60 H61 F125	L34-A57 HydrophobicContact CB-CB 3.73Å; Y53-A57 WeakPolarHBondContact O-CB 3.2Å; Y53-A57 PolarHBondContact O-N 3.11Å; M54-A57 PolarHBondContact O-N 3.35Å; E55-A57 VanDerWaalsContact C-N 3.34Å; A57-S60 PolarHBondContact O-N 3.23Å; A57-H61 VanDerWaalsContact O-CB 3.3Å; A57-H61 WeakPolarHBondContact O-CB 3.41Å; A57-H61 PolarHBondContact O-N 2.94Å; A57-F125 HydrophobicContact CB-CZ 3.96Å
58	L	96.8	Very high	95.7	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-46.6	173.9	-71.4	169.3	0	0	0	112.2	M54 S60 H61 G62 F125 P130 Y131 L134	M54-L58 PolarHBondContact O-N 3.15Å; L58-S60 PolarHBondContact O-N 3.06Å; L58-H61 PolarHBondContact O-N 3.27Å; L58-G62 PolarHBondContact O-N 3.48Å; L58-F125 HydrophobicContact CD2-CD1 4.13Å; L58-F125 HydrophobicContact CD2-CE1 3.95Å; L58-P130 HydrophobicContact CD1-CB 4.36Å; L58-P130 HydrophobicContact CD2-CB 3.98Å; L58-P130 HydrophobicContact CD2-CG 4.26Å; L58-P130 HydrophobicContact CG-CB 4.16Å; L58-Y131 HydrophobicContact CD1-CD1 4.45Å; L58-Y131 HydrophobicContact CD1-CE1 3.87Å; L58-Y131 HydrophobicContact CD1-CE2 4Å; L58-Y131 HydrophobicContact CD2-CD2 4.41Å; L58-Y131 HydrophobicContact CD2-CE2 3.64Å; L58-L134 HydrophobicContact CD1-CD1 3.53Å
59	S	95.6	Very high	95.6	Very high	72 Å²	72	44.6 Å²	44.6	50%	0.503	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-44.1	177.5	-177.5	0	0	0	0	111.9	E55 G56 G63	E55-S59 VanDerWaalsContact O-CB 3.29Å; E55-S59 WeakPolarHBondContact O-CB 3.28Å; E55-S59 PolarHBondContact O-N 3.39Å; G56-S59 PolarHBondContact O-N 2.9Å; S59-G63 PolarHBondContact O-N 3.48Å
60	S	94.4	Very high	95.6	Very high	4 Å²	4	51 Å²	51	3%	0.028	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-45.6	177.2	-173.8	0	0	0	0	111.6	E29 G56 A57 L58 G62 G63 V64	E29-S60 WeakPolarHBondContact O-CB 3.4Å; E29-S60 PolarHBondContact O-OG 3.38Å; G56-S60 WeakPolarHBondContact O-CB 3.34Å; G56-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-N 3.23Å; L58-S60 PolarHBondContact O-N 3.06Å; S60-G62 PolarHBondContact O-N 3.06Å; S60-G63 CarbonylContact O-C 3.55Å; S60-G63 WeakPolarHBondContact O-CA 3.43Å; S60-G63 PolarHBondContact O-N 3.45Å; S60-G63 VanDerWaalsContact O-N 3.09Å; S60-V64 WeakPolarHBondContact O-CG2 3.48Å; S60-V64 PolarHBondContact O-N 3.36Å
61	H	93.6	Very high	95.6	Very high	55 Å²	55	51 Å²	51	26%	0.255	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-51.1	177.4	178.9	-109.8	0	0	0	111.9	V31 A57 L58 G63 V64 R65 F125	V31-H61 HydrophobicContact CG1-CB 4.12Å; V31-H61 HydrophobicContact CG2-CB 4.05Å; A57-H61 VanDerWaalsContact O-CB 3.3Å; A57-H61 WeakPolarHBondContact O-CB 3.41Å; A57-H61 PolarHBondContact O-N 2.94Å; L58-H61 PolarHBondContact O-N 3.27Å; H61-G63 VanDerWaalsContact C-N 3.33Å; H61-G63 PolarHBondContact O-N 2.91Å; H61-V64 PolarHBondContact O-N 2.92Å; H61-R65 PolarHBondContact O-N 2.61Å; H61-R65 VanDerWaalsContact O-N 3.14Å; H61-F125 HydrophobicContact CB-CD1 3.79Å; H61-F125 HydrophobicContact CB-CE1 3.54Å; H61-F125 HydrophobicContact CB-CZ 4.43Å; H61-F125 AromaticContact CD2-CD1 3.99Å; H61-F125 AromaticContact CE1-CD1 3.99Å; H61-F125 AromaticContact CG-CD1 3.48Å; H61-F125 VanDerWaalsContact CG-CD1 3.48Å; H61-F125 AromaticContact CG-CE1 3.8Å; H61-F125 AromaticContact ND1-CD1 3.49Å; H61-F125 WeakPolarHBondContact ND1-CD1 3.35Å
62	G	93.5	Very high	95.4	Very high	21 Å²	21	50.9 Å²	50.9	22%	0.216	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-36.1	174.7	0	0	0	0	0	113.1	L58 S60 R66	L58-G62 PolarHBondContact O-N 3.48Å; S60-G62 PolarHBondContact O-N 3.06Å; G62-R66 WeakPolarHBondContact O-CB 3.01Å; G62-R66 WeakPolarHBondContact O-CG 3.13Å; G62-R66 PolarHBondContact O-N 3.48Å; G62-R66 PolarHBondContact O-NE 2.73Å
63	G	94.1	Very high	95.3	Very high	7 Å²	7	44.3 Å²	44.3	7%	0.072	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-49.2	176.2	0	0	0	0	0	113.2	S59 S60 H61 R66 I67	S59-G63 PolarHBondContact O-N 3.48Å; S60-G63 CarbonylContact O-C 3.55Å; S60-G63 WeakPolarHBondContact O-CA 3.43Å; S60-G63 PolarHBondContact O-N 3.45Å; S60-G63 VanDerWaalsContact O-N 3.09Å; H61-G63 VanDerWaalsContact C-N 3.33Å; H61-G63 PolarHBondContact O-N 2.91Å; G63-R66 PolarHBondContact O-N 2.89Å; G63-I67 WeakPolarHBondContact O-CB 2.96Å; G63-I67 WeakPolarHBondContact O-CG1 3.48Å; G63-I67 PolarHBondContact O-N 3.46Å
64	V	92.6	Very high	95.3	Very high	10 Å²	10	45.7 Å²	45.7	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-47.7	177.1	171.8	0	0	0	0	110.5	L28 S60 H61 R66 I67 R68 L109 H115	L28-V64 HydrophobicContact CD1-CG2 4.12Å; S60-V64 WeakPolarHBondContact O-CG2 3.48Å; S60-V64 PolarHBondContact O-N 3.36Å; H61-V64 PolarHBondContact O-N 2.92Å; V64-R66 PolarHBondContact O-N 3.22Å; V64-I67 PolarHBondContact O-N 3.21Å; V64-R68 WeakPolarHBondContact O-CG 3.39Å; V64-R68 PolarHBondContact O-N 3.31Å; V64-L109 HydrophobicContact CB-CD1 4.43Å; V64-L109 HydrophobicContact CG1-CD1 4.05Å; V64-L109 HydrophobicContact CG2-CD1 4.24Å; V64-L109 HydrophobicContact CG2-CD2 4.07Å; V64-H115 HydrophobicContact CG1-CB 4.45Å; V64-H115 HydrophobicContact CG2-CB 4.28Å
65	R	92.8	Very high	95.2	Very high	113 Å²	113	45.7 Å²	45.7	43%	0.426	21%	0.212	S	C	.	.	H	α-helix	trans	-55.8	-53.1	176.7	-176	-179.4	170.2	105.1	0.4	111.4	H61 I67 R68 V69 L230	H61-R65 PolarHBondContact O-N 2.61Å; H61-R65 VanDerWaalsContact O-N 3.14Å; R65-I67 VanDerWaalsContact C-N 3.34Å; R65-I67 PolarHBondContact O-N 3.12Å; R65-R68 PolarHBondContact O-N 3.26Å; R65-V69 WeakPolarHBondContact O-CG2 3.39Å; R65-V69 PolarHBondContact O-N 3.48Å; R65-L230 HydrophobicContact CG-CD1 3.72Å; R65-L230 HydrophobicContact CG-CD2 4.12Å; R65-L230 VanDerWaalsContact NH1-CD1 3.3Å; R65-L230 VanDerWaalsContact NH2-CD1 3.33Å
66	R	94.9	Very high	95.1	Very high	154 Å²	154	47.2 Å²	47.2	58%	0.581	22%	0.219	S	C	*	.	H	α-helix	trans	-60.8	-39.7	-179.8	-75.3	-174.9	-63.1	-126.2	-0.4	113.2	G62 G63 V64 R70	G62-R66 WeakPolarHBondContact O-CB 3.01Å; G62-R66 WeakPolarHBondContact O-CG 3.13Å; G62-R66 PolarHBondContact O-N 3.48Å; G62-R66 PolarHBondContact O-NE 2.73Å; G63-R66 PolarHBondContact O-N 2.89Å; V64-R66 PolarHBondContact O-N 3.22Å; R66-R70 WeakPolarHBondContact O-CB 3.43Å; R66-R70 PolarHBondContact O-N 3.08Å
67	I	94.4	Very high	95	Very high	31 Å²	31	52 Å²	52	16%	0.159	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-44.6	178.7	-74	164.4	0	0	0	110.6	L28 G63 V64 R65 R70 C71 K108 L109	L28-I67 HydrophobicContact CD1-CD1 4.09Å; G63-I67 WeakPolarHBondContact O-CB 2.96Å; G63-I67 WeakPolarHBondContact O-CG1 3.48Å; G63-I67 PolarHBondContact O-N 3.46Å; V64-I67 PolarHBondContact O-N 3.21Å; R65-I67 VanDerWaalsContact C-N 3.34Å; R65-I67 PolarHBondContact O-N 3.12Å; I67-R70 PolarHBondContact O-N 3.33Å; I67-C71 WeakPolarHBondContact O-CB 3.36Å; I67-C71 PolarHBondContact O-N 2.62Å; I67-C71 PolarHBondContact O-SG 3.5Å; I67-C71 VanDerWaalsContact O-SG 3.36Å; I67-K108 HydrophobicContact CD1-CB 4.21Å; I67-K108 HydrophobicContact CG1-CD 4.31Å; I67-K108 HydrophobicContact CG2-CB 3.89Å; I67-K108 HydrophobicContact CG2-CD 3.8Å; I67-L109 HydrophobicContact CB-CD1 4.45Å; I67-L109 HydrophobicContact CB-CD2 4.49Å; I67-L109 HydrophobicContact CB-CG 4.46Å; I67-L109 HydrophobicContact CD1-CD2 3.47Å; I67-L109 VanDerWaalsContact CD1-CD2 3.47Å; I67-L109 HydrophobicContact CD1-CG 4.15Å; I67-L109 HydrophobicContact CG2-CD1 4.07Å; I67-L109 HydrophobicContact CG2-CD2 4.44Å; I67-L109 HydrophobicContact CG2-CG 3.94Å
68	R	93.5	Very high	95	Very high	72 Å²	72	57 Å²	57	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-51.4	177.4	-74.3	179.4	177.3	167.8	4.8	111.6	V64 R65 R70 C71 R72 I105 L230	V64-R68 WeakPolarHBondContact O-CG 3.39Å; V64-R68 PolarHBondContact O-N 3.31Å; R65-R68 PolarHBondContact O-N 3.26Å; R68-R70 PolarHBondContact O-N 3.35Å; R68-C71 PolarHBondContact O-N 3.08Å; R68-R72 WeakPolarHBondContact O-CB 3.46Å; R68-R72 VanDerWaalsContact O-CG 3.31Å; R68-R72 WeakPolarHBondContact O-CG 3.34Å; R68-R72 PolarHBondContact O-N 3.37Å; R68-I105 HydrophobicContact CG-CD1 4.49Å; R68-L230 HydrophobicContact CB-CD2 4.24Å
69	V	95.8	Very high	94.9	Very high	8 Å²	8	58.5 Å²	58.5	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-53.5	-55.1	176.3	169.9	0	0	0	0	110.7	R65 C71 R72 L73 E226 A229 L230	R65-V69 WeakPolarHBondContact O-CG2 3.39Å; R65-V69 PolarHBondContact O-N 3.48Å; V69-C71 VanDerWaalsContact C-N 3.31Å; V69-C71 PolarHBondContact O-N 3.25Å; V69-R72 PolarHBondContact O-N 2.83Å; V69-L73 HydrophobicContact CG1-CD1 3.77Å; V69-L73 HydrophobicContact CG1-CG 4.37Å; V69-L73 WeakPolarHBondContact O-CG 3.38Å; V69-L73 PolarHBondContact O-N 2.92Å; V69-E226 HydrophobicContact CG1-CB 4.17Å; V69-E226 HydrophobicContact CG1-CG 3.82Å; V69-E226 HydrophobicContact CG2-CB 4.38Å; V69-A229 HydrophobicContact CG1-CB 4.48Å; V69-L230 HydrophobicContact CG2-CD1 3.87Å; V69-L230 HydrophobicContact CG2-CD2 3.82Å; V69-L230 HydrophobicContact CG2-CG 3.63Å
70	R	96.4	Very high	94.7	Very high	162 Å²	162	57.7 Å²	57.7	61%	0.611	26%	0.262	S	S	*	.	H	α-helix	trans	-60.8	-40.1	-177	-171	-178.9	-60.5	174.6	3.1	112.5	R66 I67 R68 R74	R66-R70 WeakPolarHBondContact O-CB 3.43Å; R66-R70 PolarHBondContact O-N 3.08Å; I67-R70 PolarHBondContact O-N 3.33Å; R68-R70 PolarHBondContact O-N 3.35Å; R70-R74 WeakPolarHBondContact O-CB 3.32Å; R70-R74 PolarHBondContact O-N 3.04Å; R70-R74 VanDerWaalsContact O-N 3.1Å
71	C	95.6	Very high	94.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-44.6	178.1	-77.1	0	0	0	0	111.8	I67 R68 V69 C75 C104 I105	I67-C71 WeakPolarHBondContact O-CB 3.36Å; I67-C71 PolarHBondContact O-N 2.62Å; I67-C71 PolarHBondContact O-SG 3.5Å; I67-C71 VanDerWaalsContact O-SG 3.36Å; R68-C71 PolarHBondContact O-N 3.08Å; V69-C71 VanDerWaalsContact C-N 3.31Å; V69-C71 PolarHBondContact O-N 3.25Å; C71-C75 WeakPolarHBondContact O-CB 3.3Å; C71-C75 PolarHBondContact O-N 2.87Å; C71-C75 PolarHBondContact O-SG 3.47Å; C71-C104 WeakPolarHBondContact CA-SG 3.47Å; C71-C104 HydrophobicContact CB-CB 3.64Å; C71-C104 WeakPolarHBondContact CB-SG 3.42Å; C71-C104 WeakPolarHBondContact SG-CB 3.28Å; C71-C104 PolarHBondContact SG-O 2.91Å; C71-C104 CovalentContact SG-SG 2.04Å; C71-C104 PolarHBondContact SG-SG 3.31Å; C71-I105 HydrophobicContact CB-CD1 4.5Å; C71-I105 HydrophobicContact CB-CG1 3.77Å
72	R	95.3	Very high	93.7	Very high	22 Å²	22	65.2 Å²	65.2	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-49	-179.2	-72.1	177.4	175.4	169.8	-5.3	112	R68 V69 C75 Q76 M101 A229 L230 Q232	R68-R72 WeakPolarHBondContact O-CB 3.46Å; R68-R72 VanDerWaalsContact O-CG 3.31Å; R68-R72 WeakPolarHBondContact O-CG 3.34Å; R68-R72 PolarHBondContact O-N 3.37Å; V69-R72 PolarHBondContact O-N 2.83Å; R72-C75 PolarHBondContact O-N 3.3Å; R72-Q76 WeakPolarHBondContact O-CB 3.38Å; R72-Q76 PolarHBondContact O-N 2.9Å; R72-M101 HydrophobicContact CG-CE 4.39Å; R72-M101 HydrophobicContact CG-CG 4.41Å; R72-M101 HydrophobicContact CG-SD 4.07Å; R72-A229 HydrophobicContact CB-CB 4.43Å; R72-A229 WeakPolarHBondContact CD-O 3.38Å; R72-A229 PolarHBondContact NH1-O 2.91Å; R72-L230 PolarHBondContact NH1-O 3.5Å; R72-Q232 VanDerWaalsContact NH2-C 3.26Å; R72-Q232 PolarHBondContact NH2-O 3.39Å
73	L	96.3	Very high	92.4	Very high	43 Å²	43	73.5 Å²	73.5	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-49.1	176.5	-64.6	178.3	0	0	0	111.7	V69 C75 Q76 D77 V225 A229	V69-L73 HydrophobicContact CG1-CD1 3.77Å; V69-L73 HydrophobicContact CG1-CG 4.37Å; V69-L73 WeakPolarHBondContact O-CG 3.38Å; V69-L73 PolarHBondContact O-N 2.92Å; L73-C75 VanDerWaalsContact C-N 3.3Å; L73-C75 PolarHBondContact O-N 2.92Å; L73-Q76 WeakPolarHBondContact O-CB 3.27Å; L73-Q76 PolarHBondContact O-N 3.35Å; L73-Q76 VanDerWaalsContact O-N 3.12Å; L73-D77 VanDerWaalsContact O-CG 3.3Å; L73-D77 PolarHBondContact O-N 3.49Å; L73-V225 HydrophobicContact CD1-CG1 3.95Å; L73-V225 HydrophobicContact CD2-CG1 3.57Å; L73-V225 HydrophobicContact CG-CG1 4.42Å; L73-A229 HydrophobicContact CD2-CB 3.92Å; L73-A229 HydrophobicContact CG-CB 4.11Å
74	R	96.7	Very high	91	Very high	105 Å²	105	78.2 Å²	78.2	40%	0.396	36%	0.356	S	S	.	.	H	α-helix	trans	-58	-42	178.2	-173.6	-173.5	74.7	170.8	7	112.5	R70 D77 Q78 C104	R70-R74 WeakPolarHBondContact O-CB 3.32Å; R70-R74 PolarHBondContact O-N 3.04Å; R70-R74 VanDerWaalsContact O-N 3.1Å; R74-D77 PolarHBondContact O-N 3.31Å; R74-Q78 WeakPolarHBondContact O-CB 3.43Å; R74-Q78 VanDerWaalsContact O-CG 3.27Å; R74-Q78 WeakPolarHBondContact O-CG 3.1Å; R74-Q78 PolarHBondContact O-N 3.38Å; R74-C104 VanDerWaalsContact CZ-SG 3.56Å; R74-C104 VanDerWaalsContact NH2-CB 3.32Å; R74-C104 PolarHBondContact NH2-SG 3.31Å
75	C	96.1	Very high	89.8	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-73.3	-30.6	-179.8	-68.2	0	0	0	0	112.5	C71 R72 L73 H79 C100 M101	C71-C75 WeakPolarHBondContact O-CB 3.3Å; C71-C75 PolarHBondContact O-N 2.87Å; C71-C75 PolarHBondContact O-SG 3.47Å; R72-C75 PolarHBondContact O-N 3.3Å; L73-C75 VanDerWaalsContact C-N 3.3Å; L73-C75 PolarHBondContact O-N 2.92Å; C75-H79 PolarHBondContact O-N 3.4Å; C75-C100 VanDerWaalsContact CA-SG 3.5Å; C75-C100 HydrophobicContact CB-CB 3.72Å; C75-C100 WeakPolarHBondContact CB-SG 3.47Å; C75-C100 WeakPolarHBondContact SG-CB 3.44Å; C75-C100 PolarHBondContact SG-O 2.61Å; C75-C100 CovalentContact SG-SG 2.04Å; C75-C100 PolarHBondContact SG-SG 3.48Å; C75-M101 HydrophobicContact CB-CE 4.44Å; C75-M101 HydrophobicContact CB-CG 3.87Å; C75-M101 PolarHBondContact SG-N 3.22Å; C75-M101 VanDerWaalsContact SG-N 3.39Å
76	Q	94.4	Very high	89.3	Confident	72 Å²	72	81.1 Å²	81.1	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-44.8	171	170.5	168.3	-21.3	0	0	111.4	R72 L73 H79 R97	R72-Q76 WeakPolarHBondContact O-CB 3.38Å; R72-Q76 PolarHBondContact O-N 2.9Å; L73-Q76 WeakPolarHBondContact O-CB 3.27Å; L73-Q76 PolarHBondContact O-N 3.35Å; L73-Q76 VanDerWaalsContact O-N 3.12Å; Q76-H79 CarbonylContact O-C 3.55Å; Q76-H79 PolarHBondContact O-N 2.69Å; Q76-R97 PolarHBondContact O-NH2 2.92Å
77	D	95.3	Very high	88.6	Confident	124 Å²	124	80 Å²	80	66%	0.663	38%	0.383	S	S	*	.	H	α-helix	trans	-67.9	-37	178.8	-63.3	-22.3	0	0	0	112.8	L73 R74 H79	L73-D77 VanDerWaalsContact O-CG 3.3Å; L73-D77 PolarHBondContact O-N 3.49Å; R74-D77 PolarHBondContact O-N 3.31Å; D77-H79 VanDerWaalsContact C-N 3.28Å; D77-H79 PolarHBondContact O-N 2.98Å
78	Q	96.1	Very high	88.3	Confident	107 Å²	107	85.4 Å²	85.4	50%	0.5	41%	0.412	S	S	.	.	H	α-helix	trans	-70.1	-26.1	177.4	-75.7	178.3	4.8	0	0	113.2	R74	R74-Q78 WeakPolarHBondContact O-CB 3.43Å; R74-Q78 VanDerWaalsContact O-CG 3.27Å; R74-Q78 WeakPolarHBondContact O-CG 3.1Å; R74-Q78 PolarHBondContact O-N 3.38Å
79	H	94.6	Very high	88	Confident	46 Å²	46	89.3 Å²	89.3	21%	0.213	43%	0.427	C	S	.	.	S	Bend	trans	-132.8	69.2	-175.7	-58.4	-50	0	0	0	109.9	C75 Q76 D77 V93 R97	C75-H79 PolarHBondContact O-N 3.4Å; Q76-H79 CarbonylContact O-C 3.55Å; Q76-H79 PolarHBondContact O-N 2.69Å; D77-H79 VanDerWaalsContact C-N 3.28Å; D77-H79 PolarHBondContact O-N 2.98Å; H79-V93 HydrophobicContact CB-CG1 4.28Å; H79-V93 VanDerWaalsContact O-CG1 3.3Å; H79-V93 WeakPolarHBondContact O-CG1 3.35Å; H79-R97 HydrophobicContact CB-CG 3.82Å; H79-R97 VanDerWaalsContact O-CZ 3.22Å; H79-R97 PolarHBondContact O-NE 3.06Å; H79-R97 PolarHBondContact O-NH2 3.47Å
80	P	92.4	Very high	87.7	Confident	56 Å²	56	92 Å²	92	36%	0.364	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-71.1	151.6	179.3	30.7	-34.8	0	0	0	111.3
81	F	87.8	Confident	87.3	Confident	86 Å²	86	88.2 Å²	88.2	38%	0.377	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-77.8	125.1	166.1	-68	-67.1	0	0	0	108.4	F90 V93 V94 R97	F81-F90 AromaticContact CD1-CD2 3.98Å; F81-F90 HydrophobicContact CD1-CD2 3.98Å; F81-F90 HydrophobicContact CD1-CE2 4.35Å; F81-F90 AromaticContact CE1-CD2 3.51Å; F81-F90 HydrophobicContact CE1-CD2 3.51Å; F81-F90 AromaticContact CE1-CE2 3.63Å; F81-F90 HydrophobicContact CE1-CE2 3.63Å; F81-F90 HydrophobicContact CE1-CG 4.38Å; F81-F90 HydrophobicContact CZ-CD2 4.2Å; F81-F90 AromaticContact CZ-CE2 3.82Å; F81-F90 HydrophobicContact CZ-CE2 3.82Å; F81-V93 HydrophobicContact CD1-CB 3.94Å; F81-V93 HydrophobicContact CD1-CG1 3.61Å; F81-V93 HydrophobicContact CD1-CG2 4.37Å; F81-V93 HydrophobicContact CE1-CB 3.72Å; F81-V93 HydrophobicContact CE1-CG1 3.43Å; F81-V93 VanDerWaalsContact CE1-CG1 3.43Å; F81-V93 HydrophobicContact CG-CG1 4.26Å; F81-V93 HydrophobicContact CZ-CG1 3.95Å; F81-V94 HydrophobicContact CE1-CG2 4.23Å; F81-V94 HydrophobicContact CZ-CG2 4.06Å; F81-R97 VanDerWaalsContact CE2-NH1 3.28Å
82	H	79.3	Confident	87.1	Confident	131 Å²	131	91.5 Å²	91.5	61%	0.606	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-93	151.3	177.1	-66.6	-70.2	0	0	0	111.1	T84	H82-T84 PolarHBondContact O-N 3.37Å
83	E	67.1	Low	87	Confident	194 Å²	194	91.3 Å²	91.3	91%	0.907	45%	0.445	S	S	*	.	S	Bend	trans	-59.4	-27.8	-178.1	-64.4	-179.6	172.9	0	0	114	F85	E83-F85 PolarHBondContact O-N 3.09Å; E83-F85 VanDerWaalsContact O-N 3.12Å
84	T	63.6	Low	86.8	Confident	106 Å²	106	92 Å²	92	65%	0.65	45%	0.45	S	S	*	.	S	Bend	trans	-81.7	93.8	178.8	-32.7	0	0	0	0	111.2	H82	H82-T84 PolarHBondContact O-N 3.37Å
85	F	66.9	Low	86.7	Confident	135 Å²	135	92.8 Å²	92.8	59%	0.592	46%	0.462	S	S	*	.			trans	-82.1	133.2	-175.5	-103.5	-101.7	0	0	0	113.9	E83 F90	E83-F85 PolarHBondContact O-N 3.09Å; E83-F85 VanDerWaalsContact O-N 3.12Å; F85-F90 HydrophobicContact CE1-CB 4.07Å; F85-F90 AromaticContact CE1-CD2 3.73Å; F85-F90 HydrophobicContact CE1-CD2 3.73Å; F85-F90 HydrophobicContact CE1-CG 4.22Å; F85-F90 HydrophobicContact CZ-CD2 4.06Å
86	S	82.4	Confident	86.7	Confident	50 Å²	50	98.8 Å²	98.8	35%	0.35	49%	0.485	S	S	.	.			trans	-141.7	143.9	155.3	68.8	0	0	0	0	106.8	L88 R89 F90	S86-L88 PolarHBondContact O-N 3.47Å; S86-L88 VanDerWaalsContact O-N 3.1Å; S86-R89 WeakPolarHBondContact O-CB 3.38Å; S86-R89 PolarHBondContact O-N 3.48Å; S86-R89 WeakPolarHBondContact OG-CB 3.38Å; S86-R89 VanDerWaalsContact OG-CG 3.29Å; S86-R89 WeakPolarHBondContact OG-CG 3.39Å; S86-R89 PolarHBondContact OG-N 3.37Å; S86-F90 PolarHBondContact O-N 3.43Å; S86-F90 VanDerWaalsContact O-N 3.13Å
87	D	81.5	Confident	86.7	Confident	129 Å²	129	97.1 Å²	97.1	69%	0.69	48%	0.475	S	S	*	.	H	α-helix	trans	-50.8	-42.4	-175.7	-56.9	-10	0	0	0	112.2	R89 F90 F91	D87-R89 PolarHBondContact O-N 2.91Å; D87-F90 WeakPolarHBondContact O-CB 3.46Å; D87-F90 PolarHBondContact O-N 3.05Å; D87-F91 WeakPolarHBondContact O-CD2 3.4Å; D87-F91 PolarHBondContact O-N 3.43Å; D87-F91 VanDerWaalsContact O-N 3.07Å
88	L	88.1	Confident	86.6	Confident	146 Å²	146	93.4 Å²	93.4	76%	0.764	46%	0.462	S	S	*	.	H	α-helix	trans	-64.7	-35.2	179.1	-63.2	179.5	0	0	0	113.5	S86 D92	S86-L88 PolarHBondContact O-N 3.47Å; S86-L88 VanDerWaalsContact O-N 3.1Å; L88-D92 WeakPolarHBondContact O-CB 3.33Å; L88-D92 PolarHBondContact O-N 3.34Å
89	R	86.8	Confident	86.6	Confident	154 Å²	154	91.2 Å²	91.2	58%	0.581	46%	0.462	S	S	*	.	H	α-helix	trans	-71	-38	176.1	-75.8	-178.9	177.6	-161.5	-0.8	111.6	S86 D87 D92 V93	S86-R89 WeakPolarHBondContact O-CB 3.38Å; S86-R89 PolarHBondContact O-N 3.48Å; S86-R89 WeakPolarHBondContact OG-CB 3.38Å; S86-R89 VanDerWaalsContact OG-CG 3.29Å; S86-R89 WeakPolarHBondContact OG-CG 3.39Å; S86-R89 PolarHBondContact OG-N 3.37Å; D87-R89 PolarHBondContact O-N 2.91Å; R89-D92 PolarHBondContact O-N 3.11Å; R89-V93 WeakPolarHBondContact O-CG2 3.25Å; R89-V93 PolarHBondContact O-N 3.26Å; R89-V93 VanDerWaalsContact O-N 3.12Å
90	F	88.3	Confident	86.7	Confident	64 Å²	64	89.8 Å²	89.8	28%	0.281	46%	0.457	S	S	.	.	H	α-helix	trans	-59.5	-50.8	174.3	173.8	-94.9	0	0	0	110.6	F81 F85 S86 D87 D92 V93 V94 M253	F81-F90 AromaticContact CD1-CD2 3.98Å; F81-F90 HydrophobicContact CD1-CD2 3.98Å; F81-F90 HydrophobicContact CD1-CE2 4.35Å; F81-F90 AromaticContact CE1-CD2 3.51Å; F81-F90 HydrophobicContact CE1-CD2 3.51Å; F81-F90 AromaticContact CE1-CE2 3.63Å; F81-F90 HydrophobicContact CE1-CE2 3.63Å; F81-F90 HydrophobicContact CE1-CG 4.38Å; F81-F90 HydrophobicContact CZ-CD2 4.2Å; F81-F90 AromaticContact CZ-CE2 3.82Å; F81-F90 HydrophobicContact CZ-CE2 3.82Å; F85-F90 HydrophobicContact CE1-CB 4.07Å; F85-F90 AromaticContact CE1-CD2 3.73Å; F85-F90 HydrophobicContact CE1-CD2 3.73Å; F85-F90 HydrophobicContact CE1-CG 4.22Å; F85-F90 HydrophobicContact CZ-CD2 4.06Å; S86-F90 PolarHBondContact O-N 3.43Å; S86-F90 VanDerWaalsContact O-N 3.13Å; D87-F90 WeakPolarHBondContact O-CB 3.46Å; D87-F90 PolarHBondContact O-N 3.05Å; F90-D92 PolarHBondContact O-N 3.18Å; F90-V93 PolarHBondContact O-N 3.04Å; F90-V94 HydrophobicContact CD1-CG2 4.24Å; F90-V94 HydrophobicContact CE1-CG2 3.82Å; F90-V94 HydrophobicContact CE2-CG2 4.35Å; F90-V94 HydrophobicContact CZ-CG2 3.88Å; F90-V94 WeakPolarHBondContact O-CG2 3.44Å; F90-V94 PolarHBondContact O-N 3.24Å; F90-M253 HydrophobicContact CE1-CE 4.49Å
91	F	88.9	Confident	86.7	Confident	82 Å²	82	88.4 Å²	88.4	36%	0.36	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-34.8	179.1	-73.4	-67.6	0	0	0	113.3	D87 V93 V94 L95 M253	D87-F91 WeakPolarHBondContact O-CD2 3.4Å; D87-F91 PolarHBondContact O-N 3.43Å; D87-F91 VanDerWaalsContact O-N 3.07Å; F91-V93 VanDerWaalsContact C-N 3.35Å; F91-V93 PolarHBondContact O-N 3.38Å; F91-V94 PolarHBondContact O-N 3.35Å; F91-L95 WeakPolarHBondContact O-CB 3.37Å; F91-L95 VanDerWaalsContact O-CG 3.25Å; F91-L95 WeakPolarHBondContact O-CG 3.18Å; F91-L95 PolarHBondContact O-N 3.5Å; F91-M253 HydrophobicContact CE1-CE 3.66Å; F91-M253 HydrophobicContact CE1-SD 4.03Å; F91-M253 HydrophobicContact CZ-CE 3.77Å; F91-M253 HydrophobicContact CZ-SD 4.06Å
92	D	91.6	Very high	86.9	Confident	69 Å²	69	88.1 Å²	88.1	37%	0.369	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-45.3	172.4	176.9	77.7	0	0	0	111.4	L88 R89 F90 L95 R96	L88-D92 WeakPolarHBondContact O-CB 3.33Å; L88-D92 PolarHBondContact O-N 3.34Å; R89-D92 PolarHBondContact O-N 3.11Å; F90-D92 PolarHBondContact O-N 3.18Å; D92-L95 PolarHBondContact O-N 3.03Å; D92-R96 VanDerWaalsContact CG-NE 3.28Å; D92-R96 WeakPolarHBondContact O-CB 3.19Å; D92-R96 VanDerWaalsContact O-CG 3.28Å; D92-R96 WeakPolarHBondContact O-CG 3.24Å; D92-R96 PolarHBondContact O-N 3.12Å; D92-R96 IonicContact OD1-CZ 2.67Å; D92-R96 IonicContact OD1-NE 3.65Å; D92-R96 PolarHBondContact OD1-NE 2.91Å; D92-R96 VanDerWaalsContact OD1-NE 3.08Å; D92-R96 IonicContact OD1-NH2 3.68Å; D92-R96 PolarHBondContact OD1-NH2 3.18Å; D92-R96 IonicContact OD2-CZ 3.44Å; D92-R96 IonicContact OD2-NE 3.08Å; D92-R96 PolarHBondContact OD2-NE 3.2Å; D92-R96 IonicContact OD2-NH2 2.95Å
93	V	93.4	Very high	87.6	Confident	19 Å²	19	84.8 Å²	84.8	12%	0.115	44%	0.444	C	S	.	.	H	α-helix	trans	-63.1	-45.2	176.6	173.6	0	0	0	0	111.4	H79 F81 R89 F90 F91 L95 R96 R97	H79-V93 HydrophobicContact CB-CG1 4.28Å; H79-V93 VanDerWaalsContact O-CG1 3.3Å; H79-V93 WeakPolarHBondContact O-CG1 3.35Å; F81-V93 HydrophobicContact CD1-CB 3.94Å; F81-V93 HydrophobicContact CD1-CG1 3.61Å; F81-V93 HydrophobicContact CD1-CG2 4.37Å; F81-V93 HydrophobicContact CE1-CB 3.72Å; F81-V93 HydrophobicContact CE1-CG1 3.43Å; F81-V93 VanDerWaalsContact CE1-CG1 3.43Å; F81-V93 HydrophobicContact CG-CG1 4.26Å; F81-V93 HydrophobicContact CZ-CG1 3.95Å; R89-V93 WeakPolarHBondContact O-CG2 3.25Å; R89-V93 PolarHBondContact O-N 3.26Å; R89-V93 VanDerWaalsContact O-N 3.12Å; F90-V93 PolarHBondContact O-N 3.04Å; F91-V93 VanDerWaalsContact C-N 3.35Å; F91-V93 PolarHBondContact O-N 3.38Å; V93-L95 PolarHBondContact O-N 3.11Å; V93-R96 PolarHBondContact O-N 2.9Å; V93-R97 HydrophobicContact CG1-CG 4.36Å; V93-R97 WeakPolarHBondContact O-CB 3.49Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.26Å
94	V	92	Very high	88.9	Confident	56 Å²	56	75.8 Å²	75.8	34%	0.339	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-46.7	177.8	172	0	0	0	0	111.2	F81 F90 F91 R97 A98	F81-V94 HydrophobicContact CE1-CG2 4.23Å; F81-V94 HydrophobicContact CZ-CG2 4.06Å; F90-V94 HydrophobicContact CD1-CG2 4.24Å; F90-V94 HydrophobicContact CE1-CG2 3.82Å; F90-V94 HydrophobicContact CE2-CG2 4.35Å; F90-V94 HydrophobicContact CZ-CG2 3.88Å; F90-V94 WeakPolarHBondContact O-CG2 3.44Å; F90-V94 PolarHBondContact O-N 3.24Å; F91-V94 PolarHBondContact O-N 3.35Å; V94-R97 PolarHBondContact O-N 3.46Å; V94-A98 WeakPolarHBondContact O-CB 3.31Å; V94-A98 PolarHBondContact O-N 3.39Å
95	L	93.4	Very high	90.3	Very high	123 Å²	123	71 Å²	71	64%	0.644	37%	0.372	S	S	*	.	H	α-helix	trans	-64	-42.3	179.1	-71	171	0	0	0	112	F91 D92 V93 A98 A99	F91-L95 WeakPolarHBondContact O-CB 3.37Å; F91-L95 VanDerWaalsContact O-CG 3.25Å; F91-L95 WeakPolarHBondContact O-CG 3.18Å; F91-L95 PolarHBondContact O-N 3.5Å; D92-L95 PolarHBondContact O-N 3.03Å; V93-L95 PolarHBondContact O-N 3.11Å; L95-A98 PolarHBondContact O-N 3.12Å; L95-A99 WeakPolarHBondContact O-CB 3.27Å; L95-A99 PolarHBondContact O-N 3.07Å
96	R	95.9	Very high	91.5	Very high	126 Å²	126	69.1 Å²	69.1	48%	0.475	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-43.2	176.4	-72.5	177.6	-168.5	-78.2	-13.8	112.3	D92 V93 A99 C100	D92-R96 VanDerWaalsContact CG-NE 3.28Å; D92-R96 WeakPolarHBondContact O-CB 3.19Å; D92-R96 VanDerWaalsContact O-CG 3.28Å; D92-R96 WeakPolarHBondContact O-CG 3.24Å; D92-R96 PolarHBondContact O-N 3.12Å; D92-R96 IonicContact OD1-CZ 2.67Å; D92-R96 IonicContact OD1-NE 3.65Å; D92-R96 PolarHBondContact OD1-NE 2.91Å; D92-R96 VanDerWaalsContact OD1-NE 3.08Å; D92-R96 IonicContact OD1-NH2 3.68Å; D92-R96 PolarHBondContact OD1-NH2 3.18Å; D92-R96 IonicContact OD2-CZ 3.44Å; D92-R96 IonicContact OD2-NE 3.08Å; D92-R96 PolarHBondContact OD2-NE 3.2Å; D92-R96 IonicContact OD2-NH2 2.95Å; V93-R96 PolarHBondContact O-N 2.9Å; R96-A99 PolarHBondContact O-N 2.94Å; R96-C100 VanDerWaalsContact O-CB 3.27Å; R96-C100 WeakPolarHBondContact O-CB 3.07Å; R96-C100 PolarHBondContact O-N 3.44Å
97	R	95.2	Very high	91.9	Very high	36 Å²	36	70.5 Å²	70.5	14%	0.136	38%	0.38	C	S	.	.	H	α-helix	trans	-58.8	-48.5	174.5	-78.6	-175.2	179.3	-166.3	0.5	111.1	Q76 H79 F81 V93 V94 A99 C100 M101	Q76-R97 PolarHBondContact O-NH2 2.92Å; H79-R97 HydrophobicContact CB-CG 3.82Å; H79-R97 VanDerWaalsContact O-CZ 3.22Å; H79-R97 PolarHBondContact O-NE 3.06Å; H79-R97 PolarHBondContact O-NH2 3.47Å; F81-R97 VanDerWaalsContact CE2-NH1 3.28Å; V93-R97 HydrophobicContact CG1-CG 4.36Å; V93-R97 WeakPolarHBondContact O-CB 3.49Å; V93-R97 WeakPolarHBondContact O-CG 3.42Å; V93-R97 PolarHBondContact O-N 3.26Å; V94-R97 PolarHBondContact O-N 3.46Å; R97-A99 PolarHBondContact O-N 3.46Å; R97-C100 PolarHBondContact O-N 2.84Å; R97-M101 HydrophobicContact CB-CE 4.2Å; R97-M101 WeakPolarHBondContact O-CB 3.42Å; R97-M101 VanDerWaalsContact O-CG 3.25Å; R97-M101 WeakPolarHBondContact O-CG 3.06Å; R97-M101 PolarHBondContact O-N 3.5Å
98	A	93.2	Very high	92.3	Very high	46 Å²	46	67.9 Å²	67.9	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-58.9	-47.3	178.4	0	0	0	0	0	112.1	V94 L95 M101 N102	V94-A98 WeakPolarHBondContact O-CB 3.31Å; V94-A98 PolarHBondContact O-N 3.39Å; L95-A98 PolarHBondContact O-N 3.12Å; A98-M101 PolarHBondContact O-N 3.13Å; A98-N102 PolarHBondContact O-N 3.2Å
99	A	95.6	Very high	92.3	Very high	62 Å²	62	61.2 Å²	61.2	51%	0.512	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-44.4	176.9	0	0	0	0	0	112.3	L95 R96 R97 A103	L95-A99 WeakPolarHBondContact O-CB 3.27Å; L95-A99 PolarHBondContact O-N 3.07Å; R96-A99 PolarHBondContact O-N 2.94Å; R97-A99 PolarHBondContact O-N 3.46Å; A99-A103 WeakPolarHBondContact O-CB 2.95Å; A99-A103 PolarHBondContact O-N 3.28Å
100	C	96.8	Very high	92.3	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.108	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-45.3	177.4	176.7	0	0	0	0	111.9	C75 R96 R97 C104	C75-C100 VanDerWaalsContact CA-SG 3.5Å; C75-C100 HydrophobicContact CB-CB 3.72Å; C75-C100 WeakPolarHBondContact CB-SG 3.47Å; C75-C100 WeakPolarHBondContact SG-CB 3.44Å; C75-C100 PolarHBondContact SG-O 2.61Å; C75-C100 CovalentContact SG-SG 2.04Å; C75-C100 PolarHBondContact SG-SG 3.48Å; R96-C100 VanDerWaalsContact O-CB 3.27Å; R96-C100 WeakPolarHBondContact O-CB 3.07Å; R96-C100 PolarHBondContact O-N 3.44Å; R97-C100 PolarHBondContact O-N 2.84Å; C100-C104 WeakPolarHBondContact O-CB 3.28Å; C100-C104 PolarHBondContact O-N 3.39Å
101	M	93.4	Very high	92.1	Very high	27 Å²	27	55.9 Å²	55.9	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-48.5	-178.9	-71.6	176.5	-166.5	0	0	110.9	R72 C75 R97 A98 A103 C104 I105	R72-M101 HydrophobicContact CG-CE 4.39Å; R72-M101 HydrophobicContact CG-CG 4.41Å; R72-M101 HydrophobicContact CG-SD 4.07Å; C75-M101 HydrophobicContact CB-CE 4.44Å; C75-M101 HydrophobicContact CB-CG 3.87Å; C75-M101 PolarHBondContact SG-N 3.22Å; C75-M101 VanDerWaalsContact SG-N 3.39Å; R97-M101 HydrophobicContact CB-CE 4.2Å; R97-M101 WeakPolarHBondContact O-CB 3.42Å; R97-M101 VanDerWaalsContact O-CG 3.25Å; R97-M101 WeakPolarHBondContact O-CG 3.06Å; R97-M101 PolarHBondContact O-N 3.5Å; A98-M101 PolarHBondContact O-N 3.13Å; M101-A103 PolarHBondContact O-N 2.89Å; M101-C104 PolarHBondContact O-N 3.47Å; M101-I105 WeakPolarHBondContact O-CB 3.47Å; M101-I105 VanDerWaalsContact O-CG1 3.24Å; M101-I105 WeakPolarHBondContact O-CG1 3.48Å; M101-I105 PolarHBondContact O-N 2.94Å
102	N	91.1	Very high	91.7	Very high	79 Å²	79	54.7 Å²	54.7	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-49.8	178.1	-76.3	-20.5	0	0	0	111.3	A98 C104 I105 E106 Q112	A98-N102 PolarHBondContact O-N 3.2Å; N102-C104 VanDerWaalsContact C-N 3.33Å; N102-C104 PolarHBondContact O-N 2.83Å; N102-I105 PolarHBondContact O-N 2.88Å; N102-E106 VanDerWaalsContact O-CB 3.28Å; N102-E106 WeakPolarHBondContact O-CB 3.18Å; N102-E106 WeakPolarHBondContact O-CG 2.97Å; N102-E106 PolarHBondContact O-N 3.37Å; N102-Q112 PolarHBondContact OD1-NE2 3.44Å; N102-Q112 VanDerWaalsContact OD1-NE2 3.09Å
103	A	94.8	Very high	91.1	Very high	62 Å²	62	55.4 Å²	55.4	51%	0.512	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-40.5	178	0	0	0	0	0	112.5	A99 M101 A107	A99-A103 WeakPolarHBondContact O-CB 2.95Å; A99-A103 PolarHBondContact O-N 3.28Å; M101-A103 PolarHBondContact O-N 2.89Å; A103-A107 WeakPolarHBondContact O-CB 3.49Å; A103-A107 PolarHBondContact O-N 3.48Å; A103-A107 VanDerWaalsContact O-N 3.13Å
104	C	95	Very high	90.6	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.034	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-44.1	179.6	-175	0	0	0	0	112.7	C71 R74 C100 M101 N102	C71-C104 WeakPolarHBondContact CA-SG 3.47Å; C71-C104 HydrophobicContact CB-CB 3.64Å; C71-C104 WeakPolarHBondContact CB-SG 3.42Å; C71-C104 WeakPolarHBondContact SG-CB 3.28Å; C71-C104 PolarHBondContact SG-O 2.91Å; C71-C104 CovalentContact SG-SG 2.04Å; C71-C104 PolarHBondContact SG-SG 3.31Å; R74-C104 VanDerWaalsContact CZ-SG 3.56Å; R74-C104 VanDerWaalsContact NH2-CB 3.32Å; R74-C104 PolarHBondContact NH2-SG 3.31Å; C100-C104 WeakPolarHBondContact O-CB 3.28Å; C100-C104 PolarHBondContact O-N 3.39Å; M101-C104 PolarHBondContact O-N 3.47Å; N102-C104 VanDerWaalsContact C-N 3.33Å; N102-C104 PolarHBondContact O-N 2.83Å
105	I	92.2	Very high	90.2	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-73.9	-47.7	-176.4	-64.4	169.9	0	0	0	109.5	R68 C71 M101 N102 A107 K108 L109 Q112	R68-I105 HydrophobicContact CG-CD1 4.49Å; C71-I105 HydrophobicContact CB-CD1 4.5Å; C71-I105 HydrophobicContact CB-CG1 3.77Å; M101-I105 WeakPolarHBondContact O-CB 3.47Å; M101-I105 VanDerWaalsContact O-CG1 3.24Å; M101-I105 WeakPolarHBondContact O-CG1 3.48Å; M101-I105 PolarHBondContact O-N 2.94Å; N102-I105 PolarHBondContact O-N 2.88Å; I105-A107 VanDerWaalsContact C-N 3.33Å; I105-A107 PolarHBondContact O-N 3.43Å; I105-K108 PolarHBondContact O-N 2.89Å; I105-L109 HydrophobicContact CG2-CB 4.48Å; I105-L109 HydrophobicContact CG2-CD1 3.9Å; I105-L109 HydrophobicContact CG2-CG 4.44Å; I105-L109 PolarHBondContact O-N 3.36Å; I105-Q112 HydrophobicContact CG2-CG 3.71Å
106	E	91.3	Very high	89.7	Confident	96 Å²	96	57 Å²	57	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-38.4	-179.8	-72.4	-180	175	0	0	112.5	N102 K108 G110 Q112	N102-E106 VanDerWaalsContact O-CB 3.28Å; N102-E106 WeakPolarHBondContact O-CB 3.18Å; N102-E106 WeakPolarHBondContact O-CG 2.97Å; N102-E106 PolarHBondContact O-N 3.37Å; E106-K108 PolarHBondContact O-N 3.25Å; E106-K108 VanDerWaalsContact O-N 3.14Å; E106-G110 WeakPolarHBondContact CA-O 3.48Å; E106-G110 VanDerWaalsContact O-CA 3.24Å; E106-G110 WeakPolarHBondContact O-CA 3.2Å; E106-G110 PolarHBondContact O-N 3.04Å; E106-Q112 HydrophobicContact CG-CG 4.34Å
107	A	91.9	Very high	89.1	Confident	80 Å²	80	52.4 Å²	52.4	66%	0.661	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-22.7	176.3	0	0	0	0	0	113.6	A103 I105	A103-A107 WeakPolarHBondContact O-CB 3.49Å; A103-A107 PolarHBondContact O-N 3.48Å; A103-A107 VanDerWaalsContact O-N 3.13Å; I105-A107 VanDerWaalsContact C-N 3.33Å; I105-A107 PolarHBondContact O-N 3.43Å
108	K	89.6	Confident	88.3	Confident	74 Å²	74	53.5 Å²	53.5	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-107.9	-33.3	-175.9	-67.4	179.6	179.8	179.1	0	114	I67 I105 E106	I67-K108 HydrophobicContact CD1-CB 4.21Å; I67-K108 HydrophobicContact CG1-CD 4.31Å; I67-K108 HydrophobicContact CG2-CB 3.89Å; I67-K108 HydrophobicContact CG2-CD 3.8Å; I105-K108 PolarHBondContact O-N 2.89Å; E106-K108 PolarHBondContact O-N 3.25Å; E106-K108 VanDerWaalsContact O-N 3.14Å
109	L	88.2	Confident	87.2	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-110.9	-11.5	-175.7	-65.1	-176.6	0	0	0	113.4	L28 V64 I67 I105 H115	L28-L109 HydrophobicContact CB-CD2 4.4Å; L28-L109 HydrophobicContact CD1-CD2 3.72Å; L28-L109 HydrophobicContact CG-CD2 4.26Å; V64-L109 HydrophobicContact CB-CD1 4.43Å; V64-L109 HydrophobicContact CG1-CD1 4.05Å; V64-L109 HydrophobicContact CG2-CD1 4.24Å; V64-L109 HydrophobicContact CG2-CD2 4.07Å; I67-L109 HydrophobicContact CB-CD1 4.45Å; I67-L109 HydrophobicContact CB-CD2 4.49Å; I67-L109 HydrophobicContact CB-CG 4.46Å; I67-L109 HydrophobicContact CD1-CD2 3.47Å; I67-L109 VanDerWaalsContact CD1-CD2 3.47Å; I67-L109 HydrophobicContact CD1-CG 4.15Å; I67-L109 HydrophobicContact CG2-CD1 4.07Å; I67-L109 HydrophobicContact CG2-CD2 4.44Å; I67-L109 HydrophobicContact CG2-CG 3.94Å; I105-L109 HydrophobicContact CG2-CB 4.48Å; I105-L109 HydrophobicContact CG2-CD1 3.9Å; I105-L109 HydrophobicContact CG2-CG 4.44Å; I105-L109 PolarHBondContact O-N 3.36Å; L109-H115 PolarHBondContact O-NE2 2.91Å
110	G	86.6	Confident	85.9	Confident	17 Å²	17	54.4 Å²	54.4	18%	0.175	32%	0.316	C	S	.	.	S	Bend	trans	71.2	-154.8	-165.4	0	0	0	0	0	111.1	E106 Q112	E106-G110 WeakPolarHBondContact CA-O 3.48Å; E106-G110 VanDerWaalsContact O-CA 3.24Å; E106-G110 WeakPolarHBondContact O-CA 3.2Å; E106-G110 PolarHBondContact O-N 3.04Å; G110-Q112 PolarHBondContact O-N 3.44Å
111	T	84.4	Confident	85.2	Confident	89 Å²	89	54.2 Å²	54.2	55%	0.546	31%	0.314	S	S	.	.	S	Bend	trans	-58.4	120.7	-178	-47.2	0	0	0	0	111.2	S113 V114	T111-S113 VanDerWaalsContact CG2-OG 3.26Å; T111-S113 WeakPolarHBondContact CG2-OG 3.08Å; T111-S113 PolarHBondContact O-N 3.17Å; T111-S113 VanDerWaalsContact O-N 3.11Å; T111-V114 WeakPolarHBondContact O-CB 3.35Å; T111-V114 PolarHBondContact O-N 3.45Å
112	Q	79.8	Confident	84.7	Confident	57 Å²	57	56 Å²	56	27%	0.266	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-60	-28	-174.2	-62	-174.1	59.1	0	0	113.8	N102 I105 E106 G110 V114 H115	N102-Q112 PolarHBondContact OD1-NE2 3.44Å; N102-Q112 VanDerWaalsContact OD1-NE2 3.09Å; I105-Q112 HydrophobicContact CG2-CG 3.71Å; E106-Q112 HydrophobicContact CG-CG 4.34Å; G110-Q112 PolarHBondContact O-N 3.44Å; Q112-V114 PolarHBondContact O-N 3.03Å; Q112-H115 PolarHBondContact O-N 2.9Å; Q112-H115 VanDerWaalsContact O-N 3.17Å
113	S	79.4	Confident	84.2	Confident	84 Å²	84	56.3 Å²	56.3	59%	0.587	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-63	-24.9	178.2	61.3	0	0	0	0	113.6	T111 H115 K116	T111-S113 VanDerWaalsContact CG2-OG 3.26Å; T111-S113 WeakPolarHBondContact CG2-OG 3.08Å; T111-S113 PolarHBondContact O-N 3.17Å; T111-S113 VanDerWaalsContact O-N 3.11Å; S113-H115 PolarHBondContact O-N 2.73Å; S113-K116 WeakPolarHBondContact O-CB 3.49Å; S113-K116 PolarHBondContact O-N 3.37Å
114	V	82.9	Confident	83.6	Confident	69 Å²	69	53.9 Å²	53.9	42%	0.418	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70.2	-24.9	178.6	175.1	0	0	0	0	111.6	P30 T111 Q112	P30-V114 HydrophobicContact CB-CG1 4.34Å; P30-V114 HydrophobicContact CG-CG1 3.6Å; T111-V114 WeakPolarHBondContact O-CB 3.35Å; T111-V114 PolarHBondContact O-N 3.45Å; Q112-V114 PolarHBondContact O-N 3.03Å
115	H	84.6	Confident	83.4	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.037	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-103.8	18.9	178.9	-66.5	-77	0	0	0	112.2	L28 V64 L109 Q112 S113	L28-H115 PolarHBondContact O-CE1 3.08Å; L28-H115 PolarHBondContact O-NE2 3.19Å; V64-H115 HydrophobicContact CG1-CB 4.45Å; V64-H115 HydrophobicContact CG2-CB 4.28Å; L109-H115 PolarHBondContact O-NE2 2.91Å; Q112-H115 PolarHBondContact O-N 2.9Å; Q112-H115 VanDerWaalsContact O-N 3.17Å; S113-H115 PolarHBondContact O-N 2.73Å
116	K	82.7	Confident	82.9	Confident	154 Å²	154	59 Å²	59	67%	0.67	33%	0.328	S	S	*	.			trans	-86.9	110.5	173.5	-174.3	-179.9	178.6	-178.1	0	108.3	S113	S113-K116 WeakPolarHBondContact O-CB 3.49Å; S113-K116 PolarHBondContact O-N 3.37Å
117	V	83.3	Confident	82.4	Confident	30 Å²	30	59.5 Å²	59.5	18%	0.182	33%	0.326	C	S	.	.			trans	-96.6	157.2	177.1	-69.3	0	0	0	0	110.9	V31 D32 V121 I122	V31-V117 HydrophobicContact CB-CG1 3.93Å; V31-V117 HydrophobicContact CG1-CG1 4.36Å; D32-V117 HydrophobicContact CB-CG1 4.26Å; V117-V121 HydrophobicContact CB-CB 4.21Å; V117-V121 HydrophobicContact CB-CG1 4.13Å; V117-V121 HydrophobicContact CG1-CG1 4.16Å; V117-I122 HydrophobicContact CG2-CD1 3.93Å; V117-I122 HydrophobicContact CG2-CG1 3.5Å; V117-I122 VanDerWaalsContact CG2-CG1 3.5Å
118	S	78.1	Confident	82.4	Confident	59 Å²	59	56 Å²	56	41%	0.413	30%	0.296	S	S	.	.			trans	-70	156.2	172.9	66.3	0	0	0	0	111	E120 V121 I122	S118-E120 PolarHBondContact O-N 3.41Å; S118-E120 VanDerWaalsContact O-N 3.16Å; S118-V121 PolarHBondContact O-N 3.46Å; S118-V121 VanDerWaalsContact O-N 3.14Å; S118-V121 WeakPolarHBondContact OG-CG2 3.43Å; S118-V121 PolarHBondContact OG-N 2.67Å; S118-I122 WeakPolarHBondContact O-CG1 3.49Å; S118-I122 PolarHBondContact O-N 3.24Å; S118-I122 VanDerWaalsContact O-N 3.09Å
119	D	70.4	Confident	82.3	Confident	83 Å²	83	53.7 Å²	53.7	44%	0.444	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-26.1	176.5	-54.9	-27.8	0	0	0	111.1	Q123 K236	D119-Q123 WeakPolarHBondContact O-CB 3.37Å; D119-Q123 PolarHBondContact O-N 2.87Å; D119-K236 IonicContact OD1-NZ 2.81Å; D119-K236 PolarHBondContact OD1-NZ 3.15Å; D119-K236 IonicContact OD2-NZ 2.65Å; D119-K236 PolarHBondContact OD2-NZ 2.84Å
120	E	68.3	Low	82.6	Confident	44 Å²	44	53.5 Å²	53.5	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-48.5	174.2	-173	-177.9	-177.1	0	0	113.1	S118 I122 Q123 D124 R470	S118-E120 PolarHBondContact O-N 3.41Å; S118-E120 VanDerWaalsContact O-N 3.16Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 3.14Å; E120-Q123 WeakPolarHBondContact O-CB 3.45Å; E120-Q123 PolarHBondContact O-N 3.41Å; E120-Q123 VanDerWaalsContact O-N 3.15Å; E120-D124 PolarHBondContact O-N 3.2Å; E120-R470 WeakPolarHBondContact OE1-CG 3.25Å; E120-R470 IonicContact OE1-CZ 2.84Å; E120-R470 IonicContact OE1-NE 3.3Å; E120-R470 PolarHBondContact OE1-NE 2.87Å; E120-R470 IonicContact OE1-NH2 3.54Å; E120-R470 PolarHBondContact OE1-NH2 3.28Å
121	V	82.2	Confident	83	Confident	13 Å²	13	53 Å²	53	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-39.3	176.5	171.8	0	0	0	0	109.7	V31 Y35 V117 S118 Q123 D124 F125	V31-V121 HydrophobicContact CG1-CG1 4.44Å; Y35-V121 HydrophobicContact CD1-CG2 4.31Å; V117-V121 HydrophobicContact CB-CB 4.21Å; V117-V121 HydrophobicContact CB-CG1 4.13Å; V117-V121 HydrophobicContact CG1-CG1 4.16Å; S118-V121 PolarHBondContact O-N 3.46Å; S118-V121 VanDerWaalsContact O-N 3.14Å; S118-V121 WeakPolarHBondContact OG-CG2 3.43Å; S118-V121 PolarHBondContact OG-N 2.67Å; V121-Q123 VanDerWaalsContact C-N 3.31Å; V121-Q123 PolarHBondContact O-N 3Å; V121-D124 PolarHBondContact O-N 3.06Å; V121-F125 HydrophobicContact CG1-CD2 3.92Å; V121-F125 HydrophobicContact CG1-CE2 3.8Å; V121-F125 WeakPolarHBondContact O-CD2 3.41Å; V121-F125 PolarHBondContact O-N 3.09Å
122	I	82	Confident	83.2	Confident	65 Å²	65	49.7 Å²	49.7	33%	0.333	26%	0.257	S	S	.	.	H	α-helix	trans	-57.7	-46.4	173.3	-65.2	171.7	0	0	0	110.5	V117 S118 E120 D124 F125 N126	V117-I122 HydrophobicContact CG2-CD1 3.93Å; V117-I122 HydrophobicContact CG2-CG1 3.5Å; V117-I122 VanDerWaalsContact CG2-CG1 3.5Å; S118-I122 WeakPolarHBondContact O-CG1 3.49Å; S118-I122 PolarHBondContact O-N 3.24Å; S118-I122 VanDerWaalsContact O-N 3.09Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 3.14Å; I122-D124 VanDerWaalsContact C-N 3.35Å; I122-D124 PolarHBondContact O-N 2.85Å; I122-F125 PolarHBondContact O-N 3.08Å; I122-N126 WeakPolarHBondContact O-CB 3.34Å; I122-N126 VanDerWaalsContact O-CG 3.24Å; I122-N126 PolarHBondContact O-N 3.34Å
123	Q	79.7	Confident	83.7	Confident	84 Å²	84	48.3 Å²	48.3	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-39.1	178.7	-169.3	176.5	18.3	0	0	112.4	D119 E120 V121 F125 N126 R127	D119-Q123 WeakPolarHBondContact O-CB 3.37Å; D119-Q123 PolarHBondContact O-N 2.87Å; E120-Q123 WeakPolarHBondContact O-CB 3.45Å; E120-Q123 PolarHBondContact O-N 3.41Å; E120-Q123 VanDerWaalsContact O-N 3.15Å; V121-Q123 VanDerWaalsContact C-N 3.31Å; V121-Q123 PolarHBondContact O-N 3Å; Q123-F125 VanDerWaalsContact C-N 3.34Å; Q123-F125 PolarHBondContact O-N 2.81Å; Q123-N126 PolarHBondContact O-N 3.43Å; Q123-R127 HydrophobicContact CG-CG 4.42Å; Q123-R127 WeakPolarHBondContact O-CB 3.4Å; Q123-R127 WeakPolarHBondContact O-CG 3.21Å; Q123-R127 PolarHBondContact O-N 3.46Å
124	D	83.1	Confident	84.5	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.064	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-41.1	176.5	-82.9	1.9	0	0	0	112.1	Y35 E120 V121 I122 R127 R128 I129 R470	Y35-D124 HydrophobicContact CE1-CB 4.39Å; Y35-D124 WeakPolarHBondContact CE1-OD2 3.19Å; Y35-D124 PolarHBondContact OH-OD2 2.95Å; E120-D124 PolarHBondContact O-N 3.2Å; V121-D124 PolarHBondContact O-N 3.06Å; I122-D124 VanDerWaalsContact C-N 3.35Å; I122-D124 PolarHBondContact O-N 2.85Å; D124-R127 CarbonylContact O-C 3.6Å; D124-R127 PolarHBondContact O-N 3.05Å; D124-R128 PolarHBondContact O-N 2.99Å; D124-I129 HydrophobicContact CB-CB 4.06Å; D124-I129 HydrophobicContact CB-CG1 4.01Å; D124-I129 WeakPolarHBondContact O-CB 3.49Å; D124-I129 WeakPolarHBondContact O-CG1 3.28Å; D124-I129 PolarHBondContact O-N 2.8Å; D124-R470 IonicContact OD1-CZ 3.75Å; D124-R470 VanDerWaalsContact OD1-CZ 3.29Å; D124-R470 IonicContact OD1-NH1 3.21Å; D124-R470 PolarHBondContact OD1-NH1 3.41Å; D124-R470 IonicContact OD1-NH2 2.97Å; D124-R470 PolarHBondContact OD1-NH2 2.89Å; D124-R470 IonicContact OD2-NH2 3.88Å
125	F	90.4	Very high	85.1	Confident	4 Å²	4	41 Å²	41	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-69.4	-40.4	175.4	-82	-108.9	0	0	0	111.5	V31 Y35 A57 L58 H61 V121 I122 Q123 R127 R128 P130	V31-F125 HydrophobicContact CG1-CE1 4.01Å; V31-F125 HydrophobicContact CG1-CE2 3.8Å; V31-F125 HydrophobicContact CG1-CZ 3.41Å; V31-F125 VanDerWaalsContact CG1-CZ 3.41Å; Y35-F125 HydrophobicContact CD2-CE2 4.23Å; Y35-F125 HydrophobicContact CG-CE2 4.19Å; A57-F125 HydrophobicContact CB-CZ 3.96Å; L58-F125 HydrophobicContact CD2-CD1 4.13Å; L58-F125 HydrophobicContact CD2-CE1 3.95Å; H61-F125 HydrophobicContact CB-CD1 3.79Å; H61-F125 HydrophobicContact CB-CE1 3.54Å; H61-F125 HydrophobicContact CB-CZ 4.43Å; H61-F125 AromaticContact CD2-CD1 3.99Å; H61-F125 AromaticContact CE1-CD1 3.99Å; H61-F125 AromaticContact CG-CD1 3.48Å; H61-F125 VanDerWaalsContact CG-CD1 3.48Å; H61-F125 AromaticContact CG-CE1 3.8Å; H61-F125 AromaticContact ND1-CD1 3.49Å; H61-F125 WeakPolarHBondContact ND1-CD1 3.35Å; V121-F125 HydrophobicContact CG1-CD2 3.92Å; V121-F125 HydrophobicContact CG1-CE2 3.8Å; V121-F125 WeakPolarHBondContact O-CD2 3.41Å; V121-F125 PolarHBondContact O-N 3.09Å; I122-F125 PolarHBondContact O-N 3.08Å; Q123-F125 VanDerWaalsContact C-N 3.34Å; Q123-F125 PolarHBondContact O-N 2.81Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 2.92Å; F125-R128 WeakPolarHBondContact O-CA 3.4Å; F125-R128 PolarHBondContact O-N 2.97Å; F125-P130 HydrophobicContact CD1-CG 4.34Å; F125-P130 HydrophobicContact CD2-CG 4.15Å; F125-P130 HydrophobicContact CE1-CG 4.22Å; F125-P130 HydrophobicContact CE2-CG 4.04Å; F125-P130 HydrophobicContact CG-CG 4.33Å; F125-P130 HydrophobicContact CZ-CG 4.07Å
126	N	82.8	Confident	85.3	Confident	112 Å²	112	42 Å²	42	60%	0.599	21%	0.207	S	C	*	.	H	α-helix	trans	-62.3	-37.5	174.8	-71.1	-14.2	0	0	0	112.4	I122 Q123 R128	I122-N126 WeakPolarHBondContact O-CB 3.34Å; I122-N126 VanDerWaalsContact O-CG 3.24Å; I122-N126 PolarHBondContact O-N 3.34Å; Q123-N126 PolarHBondContact O-N 3.43Å; N126-R128 PolarHBondContact O-N 3.41Å
127	R	79.6	Confident	85.8	Confident	106 Å²	106	34.7 Å²	34.7	40%	0.4	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	2.7	173.1	-66.2	-174.3	73.5	159.4	7.4	113.1	Q123 D124 F125 I129 N158	Q123-R127 HydrophobicContact CG-CG 4.42Å; Q123-R127 WeakPolarHBondContact O-CB 3.4Å; Q123-R127 WeakPolarHBondContact O-CG 3.21Å; Q123-R127 PolarHBondContact O-N 3.46Å; D124-R127 CarbonylContact O-C 3.6Å; D124-R127 PolarHBondContact O-N 3.05Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 2.92Å; R127-I129 HydrophobicContact CB-CD1 3.9Å; R127-I129 HydrophobicContact CB-CG1 4Å; R127-I129 PolarHBondContact O-N 3.44Å; R127-I129 VanDerWaalsContact O-N 3.15Å; R127-N158 PolarHBondContact O-ND2 3.5Å
128	R	91.4	Very high	86.4	Confident	8 Å²	8	33.7 Å²	33.7	3%	0.03	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	25.3	178.8	-58.7	-176.2	178.2	176.8	-5	114.1	D124 F125 N126 P130 Y131 T153 Y154 Q156 A157 D184 E186	D124-R128 PolarHBondContact O-N 2.99Å; F125-R128 WeakPolarHBondContact O-CA 3.4Å; F125-R128 PolarHBondContact O-N 2.97Å; N126-R128 PolarHBondContact O-N 3.41Å; R128-P130 VanDerWaalsContact C-N 3.3Å; R128-Y131 HydrophobicContact CB-CD2 3.85Å; R128-Y131 HydrophobicContact CG-CD2 4.47Å; R128-Y131 WeakPolarHBondContact O-CB 3.14Å; R128-Y131 PolarHBondContact O-N 3.44Å; R128-T153 WeakPolarHBondContact CD-O 3.49Å; R128-T153 PolarHBondContact NH1-O 2.96Å; R128-Y154 WeakPolarHBondContact O-CD2 3.41Å; R128-Q156 VanDerWaalsContact NH1-CB 3.26Å; R128-A157 HydrophobicContact CB-CB 4.13Å; R128-A157 HydrophobicContact CG-CB 3.82Å; R128-D184 IonicContact CZ-OD1 3.05Å; R128-D184 IonicContact CZ-OD2 3.64Å; R128-D184 IonicContact NH1-OD1 3.65Å; R128-D184 PolarHBondContact NH1-OD1 2.74Å; R128-D184 IonicContact NH1-OD2 3.41Å; R128-D184 PolarHBondContact NH1-OD2 3.03Å; R128-D184 IonicContact NH2-OD1 3.69Å; R128-D184 PolarHBondContact NH2-OD1 2.86Å; R128-D184 IonicContact NH2-OD2 2.76Å; R128-D184 PolarHBondContact NH2-OD2 3.24Å; R128-E186 IonicContact NE-OE2 3.28Å; R128-E186 PolarHBondContact NE-OE2 2.72Å; R128-E186 PolarHBondContact NH2-O 3.44Å
129	I	87.4	Confident	86.9	Confident	25 Å²	25	34.5 Å²	34.5	13%	0.128	17%	0.166	C	C	.	.	H	α-helix	trans	-50.5	-38.9	178.8	-55.9	-53.5	0	0	0	113.7	D124 R127 Y131 N132 Y133 Y154	D124-I129 HydrophobicContact CB-CB 4.06Å; D124-I129 HydrophobicContact CB-CG1 4.01Å; D124-I129 WeakPolarHBondContact O-CB 3.49Å; D124-I129 WeakPolarHBondContact O-CG1 3.28Å; D124-I129 PolarHBondContact O-N 2.8Å; R127-I129 HydrophobicContact CB-CD1 3.9Å; R127-I129 HydrophobicContact CB-CG1 4Å; R127-I129 PolarHBondContact O-N 3.44Å; R127-I129 VanDerWaalsContact O-N 3.15Å; I129-Y131 PolarHBondContact O-N 3.04Å; I129-N132 WeakPolarHBondContact O-CB 3.45Å; I129-N132 PolarHBondContact O-N 2.65Å; I129-Y133 HydrophobicContact CG2-CD2 4.16Å; I129-Y133 HydrophobicContact CG2-CE2 3.81Å; I129-Y133 PolarHBondContact O-N 2.05Å; I129-Y154 HydrophobicContact CD1-CE2 3.8Å
130	P	95.3	Very high	87.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-51.9	-32.1	175.2	-30.4	37.3	0	0	0	114	Y35 M54 L58 F125 R128 Y133 L134	Y35-P130 HydrophobicContact CD2-CG 4.35Å; Y35-P130 HydrophobicContact CE2-CG 3.97Å; M54-P130 HydrophobicContact CG-CB 3.85Å; M54-P130 HydrophobicContact SD-CB 3.81Å; M54-P130 HydrophobicContact SD-CG 4.47Å; L58-P130 HydrophobicContact CD1-CB 4.36Å; L58-P130 HydrophobicContact CD2-CB 3.98Å; L58-P130 HydrophobicContact CD2-CG 4.26Å; L58-P130 HydrophobicContact CG-CB 4.16Å; F125-P130 HydrophobicContact CD1-CG 4.34Å; F125-P130 HydrophobicContact CD2-CG 4.15Å; F125-P130 HydrophobicContact CE1-CG 4.22Å; F125-P130 HydrophobicContact CE2-CG 4.04Å; F125-P130 HydrophobicContact CG-CG 4.33Å; F125-P130 HydrophobicContact CZ-CG 4.07Å; R128-P130 VanDerWaalsContact C-N 3.3Å; P130-Y133 PolarHBondContact O-N 3.34Å; P130-L134 WeakPolarHBondContact O-CG 3.39Å; P130-L134 PolarHBondContact O-N 2.93Å
131	Y	95	Very high	89.2	Confident	8 Å²	8	36.7 Å²	36.7	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-72.8	-26.4	178.9	-68.1	-82.9	0	0	0	113.5	L58 R128 I129 L134 Q135 A150 T153 R185 E186	L58-Y131 HydrophobicContact CD1-CD1 4.45Å; L58-Y131 HydrophobicContact CD1-CE1 3.87Å; L58-Y131 HydrophobicContact CD1-CE2 4Å; L58-Y131 HydrophobicContact CD2-CD2 4.41Å; L58-Y131 HydrophobicContact CD2-CE2 3.64Å; R128-Y131 HydrophobicContact CB-CD2 3.85Å; R128-Y131 HydrophobicContact CG-CD2 4.47Å; R128-Y131 WeakPolarHBondContact O-CB 3.14Å; R128-Y131 PolarHBondContact O-N 3.44Å; I129-Y131 PolarHBondContact O-N 3.04Å; Y131-L134 HydrophobicContact CD1-CD1 4.3Å; Y131-L134 PolarHBondContact O-N 3.16Å; Y131-Q135 PolarHBondContact O-N 3Å; Y131-A150 WeakPolarHBondContact CB-O 3.48Å; Y131-A150 HydrophobicContact CD1-CB 4.14Å; Y131-T153 HydrophobicContact CD1-CG2 3.72Å; Y131-T153 HydrophobicContact CD2-CG2 3.67Å; Y131-T153 HydrophobicContact CE1-CG2 3.67Å; Y131-T153 HydrophobicContact CE2-CG2 3.62Å; Y131-T153 HydrophobicContact CG-CG2 3.7Å; Y131-R185 HydrophobicContact CE1-CB 4.07Å; Y131-E186 HydrophobicContact CE2-CG 3.89Å; Y131-E186 VanDerWaalsContact CE2-OE1 3.32Å; Y131-E186 WeakPolarHBondContact CE2-OE1 3.46Å; Y131-E186 VanDerWaalsContact OH-CG 3.27Å; Y131-E186 WeakPolarHBondContact OH-CG 3.49Å; Y131-E186 PolarHBondContact OH-OE1 3.41Å
132	N	89.6	Confident	89.8	Confident	19 Å²	19	44.9 Å²	44.9	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-40.5	172.6	-168.1	16.6	0	0	0	111.3	I129 Q135 L136 Y154 M164	I129-N132 WeakPolarHBondContact O-CB 3.45Å; I129-N132 PolarHBondContact O-N 2.65Å; N132-Q135 WeakPolarHBondContact O-CG 3.25Å; N132-Q135 PolarHBondContact OD1-NE2 3.39Å; N132-L136 PolarHBondContact O-N 3.44Å; N132-Y154 HydrophobicContact CB-CD2 3.75Å; N132-Y154 HydrophobicContact CB-CE1 4.49Å; N132-Y154 HydrophobicContact CB-CE2 3.7Å; N132-Y154 HydrophobicContact CB-CG 4.16Å; N132-M164 HydrophobicContact CB-CE 4.49Å; N132-M164 VanDerWaalsContact OD1-CE 3.29Å; N132-M164 WeakPolarHBondContact OD1-CE 3.33Å
133	Y	89.3	Confident	90.4	Very high	27 Å²	27	44.4 Å²	44.4	11%	0.106	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-42.7	172.2	-72.2	-76.5	0	0	0	111.9	V39 F42 M54 I129 P130 L136 A137	V39-Y133 HydrophobicContact CG2-CE2 4.19Å; F42-Y133 HydrophobicContact CB-CD1 4.16Å; F42-Y133 HydrophobicContact CB-CE1 4.48Å; F42-Y133 AromaticContact CD1-CD1 3.78Å; F42-Y133 HydrophobicContact CD1-CD1 3.78Å; F42-Y133 AromaticContact CD1-CE1 3.8Å; F42-Y133 HydrophobicContact CD1-CE1 3.8Å; F42-Y133 AromaticContact CD2-CD1 3.8Å; F42-Y133 HydrophobicContact CD2-CD1 3.8Å; F42-Y133 HydrophobicContact CE1-CD1 4.08Å; F42-Y133 HydrophobicContact CE1-CE1 4.17Å; F42-Y133 HydrophobicContact CE2-CD1 4.1Å; F42-Y133 AromaticContact CG-CD1 3.63Å; F42-Y133 HydrophobicContact CG-CD1 3.63Å; F42-Y133 HydrophobicContact CG-CE1 4.06Å; F42-Y133 HydrophobicContact CZ-CD1 4.24Å; M54-Y133 VanDerWaalsContact CE-CB 3.49Å; M54-Y133 HydrophobicContact CE-CD1 4.48Å; M54-Y133 HydrophobicContact CE-CD2 3.75Å; M54-Y133 HydrophobicContact CE-CG 3.67Å; I129-Y133 HydrophobicContact CG2-CD2 4.16Å; I129-Y133 HydrophobicContact CG2-CE2 3.81Å; I129-Y133 PolarHBondContact O-N 2.05Å; P130-Y133 PolarHBondContact O-N 3.34Å; Y133-L136 PolarHBondContact O-N 3.24Å; Y133-A137 WeakPolarHBondContact O-CB 3.4Å; Y133-A137 PolarHBondContact O-N 2.95Å
134	L	97.3	Very high	91	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-42.7	179.3	-79.4	168.7	0	0	0	112.5	V51 M54 E55 L58 P130 Y131 L136 A137 Y138 A150	V51-L134 HydrophobicContact CB-CD2 4.49Å; V51-L134 HydrophobicContact CG2-CD2 4.27Å; M54-L134 HydrophobicContact CB-CD1 4.43Å; M54-L134 HydrophobicContact CB-CD2 3.88Å; M54-L134 HydrophobicContact CB-CG 3.99Å; M54-L134 HydrophobicContact CG-CD1 4.1Å; M54-L134 HydrophobicContact CG-CD2 4.26Å; M54-L134 HydrophobicContact CG-CG 3.79Å; E55-L134 HydrophobicContact CG-CD1 4.46Å; E55-L134 HydrophobicContact CG-CD2 3.98Å; L58-L134 HydrophobicContact CD1-CD1 3.53Å; P130-L134 WeakPolarHBondContact O-CG 3.39Å; P130-L134 PolarHBondContact O-N 2.93Å; Y131-L134 HydrophobicContact CD1-CD1 4.3Å; Y131-L134 PolarHBondContact O-N 3.16Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 3.33Å; L134-A137 PolarHBondContact O-N 3.47Å; L134-Y138 HydrophobicContact CB-CD2 4.13Å; L134-Y138 HydrophobicContact CB-CE2 3.97Å; L134-Y138 HydrophobicContact CD2-CE2 3.85Å; L134-Y138 HydrophobicContact CG-CE2 4.39Å; L134-Y138 WeakPolarHBondContact O-CB 3.29Å; L134-Y138 WeakPolarHBondContact O-CD2 3.34Å; L134-Y138 PolarHBondContact O-N 3.44Å; L134-A150 HydrophobicContact CB-CB 4Å
135	Q	94.3	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-42.7	-178.6	73.8	79.1	10.6	0	0	111.5	Y131 N132 Y138 Q139 A147 A150 A151 M164 H167 Y171	Y131-Q135 PolarHBondContact O-N 3Å; N132-Q135 WeakPolarHBondContact O-CG 3.25Å; N132-Q135 PolarHBondContact OD1-NE2 3.39Å; Q135-Y138 PolarHBondContact O-N 2.99Å; Q135-Q139 WeakPolarHBondContact O-CB 3.3Å; Q135-Q139 PolarHBondContact O-N 2.99Å; Q135-A147 WeakPolarHBondContact CB-O 3.47Å; Q135-A150 HydrophobicContact CB-CB 3.83Å; Q135-A151 HydrophobicContact CB-CB 4.03Å; Q135-A151 HydrophobicContact CG-CB 4.23Å; Q135-M164 HydrophobicContact CG-CE 3.8Å; Q135-M164 HydrophobicContact CG-SD 4.23Å; Q135-H167 PolarHBondContact NE2-ND1 2.87Å; Q135-Y171 PolarHBondContact OE1-OH 2.04Å
136	L	88.8	Confident	91.8	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-43.6	175.8	-66.6	176.9	0	0	0	111.7	F42 N132 Y133 L134 Q139 K140 P476	F42-L136 HydrophobicContact CE2-CB 3.83Å; F42-L136 HydrophobicContact CE2-CD1 4.27Å; F42-L136 HydrophobicContact CZ-CB 4.04Å; F42-L136 HydrophobicContact CZ-CD1 3.68Å; N132-L136 PolarHBondContact O-N 3.44Å; Y133-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 3.33Å; L136-Q139 WeakPolarHBondContact O-CB 3.23Å; L136-Q139 PolarHBondContact O-N 3.26Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.22Å; L136-K140 PolarHBondContact O-N 3.45Å; L136-P476 HydrophobicContact CD1-CG 4.17Å
137	A	92.8	Very high	92.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-45	178.1	0	0	0	0	0	111.8	Y47 V50 V51 Y133 L134 Q139 K140 L141	Y47-A137 HydrophobicContact CD1-CB 4.3Å; V50-A137 HydrophobicContact CB-CB 4.03Å; V50-A137 HydrophobicContact CG1-CB 3.74Å; V51-A137 HydrophobicContact CG2-CB 3.91Å; Y133-A137 WeakPolarHBondContact O-CB 3.4Å; Y133-A137 PolarHBondContact O-N 2.95Å; L134-A137 PolarHBondContact O-N 3.47Å; A137-Q139 VanDerWaalsContact C-N 3.32Å; A137-Q139 PolarHBondContact O-N 3.05Å; A137-K140 PolarHBondContact O-N 2.92Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.48Å; A137-L141 PolarHBondContact O-N 3.35Å
138	Y	95.9	Very high	93	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.035	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-39.1	176.1	-75.3	-48.9	0	0	0	112.1	V51 E55 L134 Q135 L141 K142 Q143 K146 A150	V51-Y138 HydrophobicContact CB-CE1 4.31Å; V51-Y138 HydrophobicContact CG1-CE1 3.58Å; V51-Y138 HydrophobicContact CG2-CD1 3.87Å; V51-Y138 HydrophobicContact CG2-CE1 3.66Å; E55-Y138 PolarHBondContact OE1-OH 3.45Å; L134-Y138 HydrophobicContact CB-CD2 4.13Å; L134-Y138 HydrophobicContact CB-CE2 3.97Å; L134-Y138 HydrophobicContact CD2-CE2 3.85Å; L134-Y138 HydrophobicContact CG-CE2 4.39Å; L134-Y138 WeakPolarHBondContact O-CB 3.29Å; L134-Y138 WeakPolarHBondContact O-CD2 3.34Å; L134-Y138 PolarHBondContact O-N 3.44Å; Q135-Y138 PolarHBondContact O-N 2.99Å; Y138-L141 CarbonylContact O-C 3.59Å; Y138-L141 PolarHBondContact O-N 3.4Å; Y138-K142 PolarHBondContact O-N 3.37Å; Y138-K142 VanDerWaalsContact O-N 3.1Å; Y138-Q143 HydrophobicContact CD1-CB 4.14Å; Y138-Q143 PolarHBondContact O-N 2.86Å; Y138-K146 HydrophobicContact CD1-CB 3.79Å; Y138-K146 HydrophobicContact CD1-CD 3.94Å; Y138-K146 HydrophobicContact CD2-CB 3.62Å; Y138-K146 HydrophobicContact CE1-CB 3.96Å; Y138-K146 HydrophobicContact CE1-CD 3.47Å; Y138-K146 VanDerWaalsContact CE1-CD 3.47Å; Y138-K146 HydrophobicContact CE1-CG 4.4Å; Y138-K146 HydrophobicContact CE2-CB 3.8Å; Y138-K146 HydrophobicContact CE2-CD 4.4Å; Y138-K146 HydrophobicContact CG-CB 3.64Å; Y138-A150 HydrophobicContact CD2-CB 4.39Å
139	Q	90.4	Very high	93.2	Very high	76 Å²	76	38.5 Å²	38.5	36%	0.355	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-46.3	174.2	-168.4	-169.7	32.2	0	0	111.5	Q135 L136 A137 L141 K142 A147 Y171	Q135-Q139 WeakPolarHBondContact O-CB 3.3Å; Q135-Q139 PolarHBondContact O-N 2.99Å; L136-Q139 WeakPolarHBondContact O-CB 3.23Å; L136-Q139 PolarHBondContact O-N 3.26Å; A137-Q139 VanDerWaalsContact C-N 3.32Å; A137-Q139 PolarHBondContact O-N 3.05Å; Q139-L141 VanDerWaalsContact C-N 3.28Å; Q139-L141 PolarHBondContact O-N 2.71Å; Q139-K142 PolarHBondContact O-N 2.72Å; Q139-A147 HydrophobicContact CB-CB 4.49Å; Q139-Y171 HydrophobicContact CG-CE1 4.43Å
140	K	90.6	Very high	93.6	Very high	127 Å²	127	37.3 Å²	37.3	55%	0.552	17%	0.174	S	C	*	.	H	α-helix	trans	-64.7	-31.5	177.4	-64.9	-71.2	-178.6	-172.6	0	112.8	Y47 L136 A137 K142	Y47-K140 HydrophobicContact CD1-CB 4.15Å; Y47-K140 HydrophobicContact CD1-CG 4.14Å; Y47-K140 HydrophobicContact CD2-CB 3.53Å; Y47-K140 HydrophobicContact CD2-CG 4Å; Y47-K140 HydrophobicContact CE1-CB 4.35Å; Y47-K140 HydrophobicContact CE1-CG 3.88Å; Y47-K140 HydrophobicContact CE2-CB 3.74Å; Y47-K140 HydrophobicContact CE2-CD 4.04Å; Y47-K140 HydrophobicContact CE2-CG 3.71Å; Y47-K140 HydrophobicContact CG-CB 3.74Å; Y47-K140 HydrophobicContact CG-CG 4.2Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.22Å; L136-K140 PolarHBondContact O-N 3.45Å; A137-K140 PolarHBondContact O-N 2.92Å; K140-K142 VanDerWaalsContact C-N 3.28Å
141	L	95.5	Very high	93.4	Very high	46 Å²	46	37.3 Å²	37.3	24%	0.241	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	4	174.6	-64.3	176.5	0	0	0	114	E48 V51 A137 Y138 Q139 Q143	E48-L141 HydrophobicContact CG-CD1 4.46Å; E48-L141 HydrophobicContact CG-CD2 3.74Å; V51-L141 HydrophobicContact CB-CD1 4.49Å; V51-L141 HydrophobicContact CG2-CD1 3.73Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.48Å; A137-L141 PolarHBondContact O-N 3.35Å; Y138-L141 CarbonylContact O-C 3.59Å; Y138-L141 PolarHBondContact O-N 3.4Å; Q139-L141 VanDerWaalsContact C-N 3.28Å; Q139-L141 PolarHBondContact O-N 2.71Å; L141-Q143 VanDerWaalsContact C-N 3.34Å; L141-Q143 PolarHBondContact O-N 3.46Å
142	K	94	Very high	93.1	Very high	184 Å²	184	38.8 Å²	38.8	80%	0.8	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	40.9	-179.4	-51.8	-179.7	-178.8	-179.7	0	113.4	Y138 Q139 K140 P144	Y138-K142 PolarHBondContact O-N 3.37Å; Y138-K142 VanDerWaalsContact O-N 3.1Å; Q139-K142 PolarHBondContact O-N 2.72Å; K140-K142 VanDerWaalsContact C-N 3.28Å; K142-P144 VanDerWaalsContact O-CD 3.23Å; K142-P144 WeakPolarHBondContact O-CD 3.39Å
143	Q	94.8	Very high	93.2	Very high	55 Å²	55	37.9 Å²	37.9	26%	0.257	18%	0.177	S	C	.	.			trans	-112.8	70.6	174.1	-65	178.2	31.6	0	0	109.8	Y138 L141 E145 K146 A147	Y138-Q143 HydrophobicContact CD1-CB 4.14Å; Y138-Q143 PolarHBondContact O-N 2.86Å; L141-Q143 VanDerWaalsContact C-N 3.34Å; L141-Q143 PolarHBondContact O-N 3.46Å; Q143-E145 VanDerWaalsContact C-N 3.29Å; Q143-E145 PolarHBondContact O-N 3.26Å; Q143-K146 HydrophobicContact CB-CB 4.48Å; Q143-K146 PolarHBondContact O-N 2.84Å; Q143-A147 PolarHBondContact O-N 3.44Å
144	P	92.6	Very high	93	Very high	32 Å²	32	37.2 Å²	37.2	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-29.8	-170.4	29.3	-37.8	0	0	0	113.5	K142 A147 A148 L174 V177	K142-P144 VanDerWaalsContact O-CD 3.23Å; K142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-A147 PolarHBondContact O-N 3.07Å; P144-A148 WeakPolarHBondContact O-CB 3.11Å; P144-A148 PolarHBondContact O-N 3.22Å; P144-L174 HydrophobicContact CB-CD1 3.81Å; P144-V177 HydrophobicContact CB-CG2 3.72Å; P144-V177 HydrophobicContact CG-CG2 4.23Å
145	E	94.4	Very high	92.3	Very high	68 Å²	68	39.9 Å²	39.9	32%	0.318	19%	0.186	S	C	.	.	H	α-helix	trans	-63.9	-42.4	176.8	70.5	-68.7	169.7	0	0	112.2	Q143 A149	Q143-E145 VanDerWaalsContact C-N 3.29Å; Q143-E145 PolarHBondContact O-N 3.26Å; E145-A149 PolarHBondContact O-N 3.31Å
146	K	95.8	Very high	91.6	Very high	87 Å²	87	43.5 Å²	43.5	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-76.5	-32.5	176.7	-62.6	-172.7	-166.7	162.6	0	112.1	Y138 Q143 A149 A150	Y138-K146 HydrophobicContact CD1-CB 3.79Å; Y138-K146 HydrophobicContact CD1-CD 3.94Å; Y138-K146 HydrophobicContact CD2-CB 3.62Å; Y138-K146 HydrophobicContact CE1-CB 3.96Å; Y138-K146 HydrophobicContact CE1-CD 3.47Å; Y138-K146 VanDerWaalsContact CE1-CD 3.47Å; Y138-K146 HydrophobicContact CE1-CG 4.4Å; Y138-K146 HydrophobicContact CE2-CB 3.8Å; Y138-K146 HydrophobicContact CE2-CD 4.4Å; Y138-K146 HydrophobicContact CG-CB 3.64Å; Q143-K146 HydrophobicContact CB-CB 4.48Å; Q143-K146 PolarHBondContact O-N 2.84Å; K146-A149 PolarHBondContact O-N 3.03Å; K146-A150 WeakPolarHBondContact O-CB 3.32Å; K146-A150 PolarHBondContact O-N 3.17Å
147	A	94.6	Very high	90.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-45.7	173	0	0	0	0	0	110.7	Q135 Q139 Q143 P144 A150 A151 Y171	Q135-A147 WeakPolarHBondContact CB-O 3.47Å; Q139-A147 HydrophobicContact CB-CB 4.49Å; Q143-A147 PolarHBondContact O-N 3.44Å; P144-A147 PolarHBondContact O-N 3.07Å; A147-A150 PolarHBondContact O-N 3.07Å; A147-A151 VanDerWaalsContact O-CB 3.23Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.49Å; A147-Y171 HydrophobicContact CB-CE1 4.08Å; A147-Y171 HydrophobicContact CB-CE2 4.24Å
148	A	93.3	Very high	90	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.6	0	0	0	0	0	112.3	P144 A151 H152 Y171 V177 F182	P144-A148 WeakPolarHBondContact O-CB 3.11Å; P144-A148 PolarHBondContact O-N 3.22Å; A148-A151 PolarHBondContact O-N 3.25Å; A148-H152 VanDerWaalsContact O-CB 3.3Å; A148-H152 WeakPolarHBondContact O-CB 3.46Å; A148-H152 PolarHBondContact O-N 3.14Å; A148-Y171 HydrophobicContact CB-CD2 4.29Å; A148-Y171 HydrophobicContact CB-CG 4.33Å; A148-V177 HydrophobicContact CB-CG1 4.04Å; A148-F182 HydrophobicContact CB-CD1 4.27Å; A148-F182 HydrophobicContact CB-CE1 3.97Å; A148-F182 HydrophobicContact CB-CZ 4.14Å
149	A	95.9	Very high	88.6	Confident	15 Å²	15	44 Å²	44	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-43.9	177.5	0	0	0	0	0	112.6	E145 K146 H152 T153 H181	E145-A149 PolarHBondContact O-N 3.31Å; K146-A149 PolarHBondContact O-N 3.03Å; A149-H152 PolarHBondContact O-N 3.19Å; A149-T153 WeakPolarHBondContact O-CB 3.49Å; A149-T153 PolarHBondContact O-N 3.08Å; A149-T153 PolarHBondContact O-OG1 3.33Å; A149-H181 WeakPolarHBondContact CA-O 3.25Å; A149-H181 WeakPolarHBondContact CB-O 3.3Å; A149-H181 PolarHBondContact N-O 3.02Å
150	A	95.8	Very high	87.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-44.2	177.8	0	0	0	0	0	111.7	Y131 L134 Q135 Y138 K146 A147 H152 T153 Y154	Y131-A150 WeakPolarHBondContact CB-O 3.48Å; Y131-A150 HydrophobicContact CD1-CB 4.14Å; L134-A150 HydrophobicContact CB-CB 4Å; Q135-A150 HydrophobicContact CB-CB 3.83Å; Y138-A150 HydrophobicContact CD2-CB 4.39Å; K146-A150 WeakPolarHBondContact O-CB 3.32Å; K146-A150 PolarHBondContact O-N 3.17Å; A147-A150 PolarHBondContact O-N 3.07Å; A150-H152 VanDerWaalsContact C-N 3.34Å; A150-H152 PolarHBondContact O-N 2.94Å; A150-T153 PolarHBondContact O-N 3.34Å; A150-Y154 PolarHBondContact O-N 2.85Å
151	A	90.4	Very high	86	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-45.3	174.9	0	0	0	0	0	112	Q135 A147 A148 Y154 F155 M164 L168 Y171	Q135-A151 HydrophobicContact CB-CB 4.03Å; Q135-A151 HydrophobicContact CG-CB 4.23Å; A147-A151 VanDerWaalsContact O-CB 3.23Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.49Å; A148-A151 PolarHBondContact O-N 3.25Å; A151-Y154 PolarHBondContact O-N 3.45Å; A151-F155 WeakPolarHBondContact O-CB 3.23Å; A151-F155 PolarHBondContact O-N 2.86Å; A151-M164 VanDerWaalsContact CA-SD 3.54Å; A151-M164 HydrophobicContact CB-CG 4.5Å; A151-M164 HydrophobicContact CB-SD 3.39Å; A151-M164 WeakPolarHBondContact CB-SD 3.06Å; A151-L168 HydrophobicContact CB-CD2 3.9Å; A151-L168 HydrophobicContact CB-CG 4.42Å; A151-Y171 HydrophobicContact CB-CD2 4.04Å; A151-Y171 HydrophobicContact CB-CE2 3.71Å
152	H	89.1	Confident	84.5	Confident	40 Å²	40	43.1 Å²	43.1	19%	0.185	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-45.5	178	-171.4	85.8	0	0	0	111.2	A148 A149 A150 Y154 F155 Q156 L168 F182 D184	A148-H152 VanDerWaalsContact O-CB 3.3Å; A148-H152 WeakPolarHBondContact O-CB 3.46Å; A148-H152 PolarHBondContact O-N 3.14Å; A149-H152 PolarHBondContact O-N 3.19Å; A150-H152 VanDerWaalsContact C-N 3.34Å; A150-H152 PolarHBondContact O-N 2.94Å; H152-Y154 VanDerWaalsContact C-N 3.33Å; H152-Y154 PolarHBondContact O-N 3.46Å; H152-F155 PolarHBondContact O-N 2.87Å; H152-Q156 PolarHBondContact CE1-NE2 2.97Å; H152-Q156 VanDerWaalsContact CE1-NE2 3.28Å; H152-Q156 PolarHBondContact NE2-NE2 3.17Å; H152-Q156 WeakPolarHBondContact O-CG 3.41Å; H152-Q156 PolarHBondContact O-N 3.24Å; H152-L168 HydrophobicContact CB-CD2 4.07Å; H152-F182 HydrophobicContact CB-CB 4.39Å; H152-F182 HydrophobicContact CB-CD1 4.35Å; H152-D184 PolarHBondContact CD2-N 2.73Å
153	T	91.8	Very high	83.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-43.5	177.5	-58.1	0	0	0	0	111.9	R128 Y131 A149 A150 V183 R185 E186	R128-T153 WeakPolarHBondContact CD-O 3.49Å; R128-T153 PolarHBondContact NH1-O 2.96Å; Y131-T153 HydrophobicContact CD1-CG2 3.72Å; Y131-T153 HydrophobicContact CD2-CG2 3.67Å; Y131-T153 HydrophobicContact CE1-CG2 3.67Å; Y131-T153 HydrophobicContact CE2-CG2 3.62Å; Y131-T153 HydrophobicContact CG-CG2 3.7Å; A149-T153 WeakPolarHBondContact O-CB 3.49Å; A149-T153 PolarHBondContact O-N 3.08Å; A149-T153 PolarHBondContact O-OG1 3.33Å; A150-T153 PolarHBondContact O-N 3.34Å; T153-V183 PolarHBondContact OG1-O 2.71Å; T153-R185 HydrophobicContact CG2-CB 4.26Å; T153-R185 PolarHBondContact OG1-N 3.03Å; T153-E186 HydrophobicContact CG2-CB 4.48Å; T153-E186 HydrophobicContact CG2-CG 4.28Å
154	Y	85.9	Confident	82.3	Confident	12 Å²	12	33 Å²	33	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-45	175.4	178	-98.2	0	0	0	112.4	R128 I129 N132 A150 A151 H152 Q156 A157 N158 H161 M164	R128-Y154 WeakPolarHBondContact O-CD2 3.41Å; I129-Y154 HydrophobicContact CD1-CE2 3.8Å; N132-Y154 HydrophobicContact CB-CD2 3.75Å; N132-Y154 HydrophobicContact CB-CE1 4.49Å; N132-Y154 HydrophobicContact CB-CE2 3.7Å; N132-Y154 HydrophobicContact CB-CG 4.16Å; A150-Y154 PolarHBondContact O-N 2.85Å; A151-Y154 PolarHBondContact O-N 3.45Å; H152-Y154 VanDerWaalsContact C-N 3.33Å; H152-Y154 PolarHBondContact O-N 3.46Å; Y154-Q156 VanDerWaalsContact C-N 3.3Å; Y154-Q156 PolarHBondContact O-N 3.38Å; Y154-A157 PolarHBondContact O-N 3.12Å; Y154-N158 HydrophobicContact CD1-CB 4.45Å; Y154-N158 HydrophobicContact CE1-CB 4.01Å; Y154-N158 WeakPolarHBondContact CE2-ND2 3.37Å; Y154-N158 PolarHBondContact O-N 3.49Å; Y154-N158 VanDerWaalsContact O-N 3.12Å; Y154-N158 PolarHBondContact O-ND2 3.04Å; Y154-H161 HydrophobicContact CE1-CB 4.1Å; Y154-H161 AromaticContact CE1-CD2 3.73Å; Y154-H161 AromaticContact CE1-CG 3.74Å; Y154-H161 AromaticContact CZ-CD2 3.92Å; Y154-H161 PolarHBondContact OH-CD2 2.93Å; Y154-H161 PolarHBondContact OH-NE2 3.05Å; Y154-M164 HydrophobicContact CD1-CB 4.16Å; Y154-M164 HydrophobicContact CD1-CE 3.42Å; Y154-M164 VanDerWaalsContact CD1-CE 3.42Å; Y154-M164 HydrophobicContact CD1-CG 3.85Å; Y154-M164 HydrophobicContact CD1-SD 4.35Å; Y154-M164 HydrophobicContact CE1-CB 4.35Å; Y154-M164 HydrophobicContact CE1-CE 3.9Å; Y154-M164 HydrophobicContact CG-CE 4.06Å
155	F	82.4	Confident	81.1	Confident	57 Å²	57	32.5 Å²	32.5	25%	0.25	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-36.2	-177.6	-174.4	-101.7	0	0	0	112.5	A151 H152 A157 N158 P159 M164 L168	A151-F155 WeakPolarHBondContact O-CB 3.23Å; A151-F155 PolarHBondContact O-N 2.86Å; H152-F155 PolarHBondContact O-N 2.87Å; F155-A157 PolarHBondContact O-N 2.86Å; F155-A157 VanDerWaalsContact O-N 3.17Å; F155-N158 CarbonylContact O-C 3.48Å; F155-N158 VanDerWaalsContact O-C 3.26Å; F155-N158 PolarHBondContact O-N 3.01Å; F155-N158 VanDerWaalsContact O-N 3.08Å; F155-P159 WeakPolarHBondContact CE2-O 3.17Å; F155-P159 HydrophobicContact CZ-CB 4.42Å; F155-P159 VanDerWaalsContact O-N 3.14Å; F155-M164 HydrophobicContact CB-CG 3.89Å; F155-M164 HydrophobicContact CD2-CB 4.1Å; F155-M164 HydrophobicContact CD2-CG 4.15Å; F155-M164 HydrophobicContact CG-CG 4.48Å; F155-L168 HydrophobicContact CB-CD1 3.67Å; F155-L168 HydrophobicContact CD1-CD1 3.8Å; F155-L168 HydrophobicContact CD2-CD1 4.01Å; F155-L168 HydrophobicContact CE1-CD1 4.46Å; F155-L168 HydrophobicContact CG-CD1 3.54Å
156	Q	79.9	Confident	80.1	Confident	75 Å²	75	32.2 Å²	32.2	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-56.2	-31.3	173.6	-71	-56.1	-36.7	0	0	112.6	R128 H152 Y154 D184 P275	R128-Q156 VanDerWaalsContact NH1-CB 3.26Å; H152-Q156 PolarHBondContact CE1-NE2 2.97Å; H152-Q156 VanDerWaalsContact CE1-NE2 3.28Å; H152-Q156 PolarHBondContact NE2-NE2 3.17Å; H152-Q156 WeakPolarHBondContact O-CG 3.41Å; H152-Q156 PolarHBondContact O-N 3.24Å; Y154-Q156 VanDerWaalsContact C-N 3.3Å; Y154-Q156 PolarHBondContact O-N 3.38Å; Q156-D184 HydrophobicContact CG-CB 4.01Å; Q156-P275 CarbonylContact O-C 3.59Å; Q156-P275 VanDerWaalsContact O-C 3.31Å
157	A	73.7	Confident	79.3	Confident	5 Å²	5	29.6 Å²	29.6	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-98.2	-5.1	177.6	0	0	0	0	0	114.7	R128 Y154 F155 P275 G276	R128-A157 HydrophobicContact CB-CB 4.13Å; R128-A157 HydrophobicContact CG-CB 3.82Å; Y154-A157 PolarHBondContact O-N 3.12Å; F155-A157 PolarHBondContact O-N 2.86Å; F155-A157 VanDerWaalsContact O-N 3.17Å; A157-P275 HydrophobicContact CB-CB 4.12Å; A157-G276 VanDerWaalsContact C-CA 3.41Å; A157-G276 WeakPolarHBondContact O-CA 3.16Å
158	N	73.3	Confident	78.7	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.011	16%	0.159	C	C	.	.			trans	-146.8	63	-178.8	-50.9	-96.8	0	0	0	109.6	R127 Y154 F155 E160 H161	R127-N158 PolarHBondContact O-ND2 3.5Å; Y154-N158 HydrophobicContact CD1-CB 4.45Å; Y154-N158 HydrophobicContact CE1-CB 4.01Å; Y154-N158 WeakPolarHBondContact CE2-ND2 3.37Å; Y154-N158 PolarHBondContact O-N 3.49Å; Y154-N158 VanDerWaalsContact O-N 3.12Å; Y154-N158 PolarHBondContact O-ND2 3.04Å; F155-N158 CarbonylContact O-C 3.48Å; F155-N158 VanDerWaalsContact O-C 3.26Å; F155-N158 PolarHBondContact O-N 3.01Å; F155-N158 VanDerWaalsContact O-N 3.08Å; N158-E160 VanDerWaalsContact C-OE2 3.24Å; N158-E160 WeakPolarHBondContact CA-OE2 3.27Å; N158-E160 PolarHBondContact O-N 2.85Å; N158-H161 HydrophobicContact CB-CB 4.11Å; N158-H161 WeakPolarHBondContact O-CB 3.48Å; N158-H161 PolarHBondContact O-N 3.39Å; N158-H161 VanDerWaalsContact O-N 3.08Å
159	P	65.9	Low	78.3	Confident	42 Å²	42	35 Å²	35	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.1	-175.4	26.9	-36.1	0	0	0	113.7	F155 H161	F155-P159 WeakPolarHBondContact CE2-O 3.17Å; F155-P159 HydrophobicContact CZ-CB 4.42Å; F155-P159 VanDerWaalsContact O-N 3.14Å; P159-H161 PolarHBondContact O-N 3.37Å
160	E	62.8	Low	77.7	Confident	107 Å²	107	39 Å²	39	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.6	175.4	75.7	-69.8	169.7	0	0	113.4	N158 V162	N158-E160 VanDerWaalsContact C-OE2 3.24Å; N158-E160 WeakPolarHBondContact CA-OE2 3.27Å; N158-E160 PolarHBondContact O-N 2.85Å; E160-V162 PolarHBondContact O-N 3.19Å
161	H	63.8	Low	77.4	Confident	28 Å²	28	39 Å²	39	13%	0.13	20%	0.198	C	C	.	.			trans	-75.8	88	-177.7	-163	-74.1	0	0	0	111.6	Y154 N158 P159 E163 M164 G165	Y154-H161 HydrophobicContact CE1-CB 4.1Å; Y154-H161 AromaticContact CE1-CD2 3.73Å; Y154-H161 AromaticContact CE1-CG 3.74Å; Y154-H161 AromaticContact CZ-CD2 3.92Å; Y154-H161 PolarHBondContact OH-CD2 2.93Å; Y154-H161 PolarHBondContact OH-NE2 3.05Å; N158-H161 HydrophobicContact CB-CB 4.11Å; N158-H161 WeakPolarHBondContact O-CB 3.48Å; N158-H161 PolarHBondContact O-N 3.39Å; N158-H161 VanDerWaalsContact O-N 3.08Å; P159-H161 PolarHBondContact O-N 3.37Å; H161-E163 VanDerWaalsContact C-N 3.32Å; H161-E163 IonicContact CE1-OE1 3.29Å; H161-E163 IonicContact CE1-OE2 2.6Å; H161-E163 PolarHBondContact O-N 2.84Å; H161-M164 HydrophobicContact CB-CB 4.25Å; H161-M164 PolarHBondContact ND1-N 3.18Å; H161-M164 PolarHBondContact O-N 2.83Å; H161-G165 PolarHBondContact O-N 3.38Å
162	V	65	Low	77.2	Confident	96 Å²	96	44 Å²	44	58%	0.582	22%	0.22	S	C	*	.	H	α-helix	trans	-48.1	-47	-174	-179.7	0	0	0	0	113.4	E160 M164 G165 Q166	E160-V162 PolarHBondContact O-N 3.19Å; V162-M164 VanDerWaalsContact C-N 3.28Å; V162-M164 PolarHBondContact O-N 3.31Å; V162-G165 PolarHBondContact O-N 3.34Å; V162-Q166 PolarHBondContact O-N 3.41Å
163	E	66.7	Low	77.2	Confident	26 Å²	26	49 Å²	49	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-37.6	179.7	-64.8	163.4	-125.9	0	0	112.7	H161 G165 Q166 H167 D548	H161-E163 VanDerWaalsContact C-N 3.32Å; H161-E163 IonicContact CE1-OE1 3.29Å; H161-E163 IonicContact CE1-OE2 2.6Å; H161-E163 PolarHBondContact O-N 2.84Å; E163-G165 VanDerWaalsContact C-N 3.3Å; E163-G165 PolarHBondContact O-N 3.46Å; E163-Q166 WeakPolarHBondContact O-CB 3.01Å; E163-Q166 PolarHBondContact O-N 3.3Å; E163-Q166 VanDerWaalsContact O-N 3.12Å; E163-H167 PolarHBondContact O-N 2.83Å; E163-D548 HydrophobicContact CG-CB 3.5Å; E163-D548 WeakPolarHBondContact OE1-CB 3.44Å
164	M	75.8	Confident	77	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.3	-37.2	-176.6	-169.8	63.2	64.3	0	0	109.7	N132 Q135 A151 Y154 F155 H161 V162 Q166 H167 L168	N132-M164 HydrophobicContact CB-CE 4.49Å; N132-M164 VanDerWaalsContact OD1-CE 3.29Å; N132-M164 WeakPolarHBondContact OD1-CE 3.33Å; Q135-M164 HydrophobicContact CG-CE 3.8Å; Q135-M164 HydrophobicContact CG-SD 4.23Å; A151-M164 VanDerWaalsContact CA-SD 3.54Å; A151-M164 HydrophobicContact CB-CG 4.5Å; A151-M164 HydrophobicContact CB-SD 3.39Å; A151-M164 WeakPolarHBondContact CB-SD 3.06Å; Y154-M164 HydrophobicContact CD1-CB 4.16Å; Y154-M164 HydrophobicContact CD1-CE 3.42Å; Y154-M164 VanDerWaalsContact CD1-CE 3.42Å; Y154-M164 HydrophobicContact CD1-CG 3.85Å; Y154-M164 HydrophobicContact CD1-SD 4.35Å; Y154-M164 HydrophobicContact CE1-CB 4.35Å; Y154-M164 HydrophobicContact CE1-CE 3.9Å; Y154-M164 HydrophobicContact CG-CE 4.06Å; F155-M164 HydrophobicContact CB-CG 3.89Å; F155-M164 HydrophobicContact CD2-CB 4.1Å; F155-M164 HydrophobicContact CD2-CG 4.15Å; F155-M164 HydrophobicContact CG-CG 4.48Å; H161-M164 HydrophobicContact CB-CB 4.25Å; H161-M164 PolarHBondContact ND1-N 3.18Å; H161-M164 PolarHBondContact O-N 2.83Å; V162-M164 VanDerWaalsContact C-N 3.28Å; V162-M164 PolarHBondContact O-N 3.31Å; M164-Q166 VanDerWaalsContact C-N 3.27Å; M164-Q166 PolarHBondContact O-N 3.46Å; M164-H167 PolarHBondContact O-N 2.97Å; M164-H167 HydrophobicContact SD-CB 4.29Å; M164-L168 VanDerWaalsContact O-CG 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.05Å; M164-L168 PolarHBondContact O-N 3.09Å
165	G	66.2	Low	76.9	Confident	22 Å²	22	61.7 Å²	61.7	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-55.9	-42.3	169.7	0	0	0	0	0	112.1	H161 V162 E163 L168 E169	H161-G165 PolarHBondContact O-N 3.38Å; V162-G165 PolarHBondContact O-N 3.34Å; E163-G165 VanDerWaalsContact C-N 3.3Å; E163-G165 PolarHBondContact O-N 3.46Å; G165-L168 PolarHBondContact O-N 3.14Å; G165-E169 PolarHBondContact O-N 2.86Å; G165-E169 VanDerWaalsContact O-N 3.16Å
166	Q	73.8	Confident	76.8	Confident	62 Å²	62	61.6 Å²	61.6	29%	0.29	33%	0.325	S	S	.	.	H	α-helix	trans	-70	-41.7	177.1	-63.2	175.6	9.1	0	0	113.1	V162 E163 M164 L168 E169 Q170 N547	V162-Q166 PolarHBondContact O-N 3.41Å; E163-Q166 WeakPolarHBondContact O-CB 3.01Å; E163-Q166 PolarHBondContact O-N 3.3Å; E163-Q166 VanDerWaalsContact O-N 3.12Å; M164-Q166 VanDerWaalsContact C-N 3.27Å; M164-Q166 PolarHBondContact O-N 3.46Å; Q166-L168 PolarHBondContact O-N 3.44Å; Q166-E169 PolarHBondContact O-N 3.41Å; Q166-Q170 WeakPolarHBondContact O-CG 3.34Å; Q166-Q170 PolarHBondContact O-N 3.03Å; Q166-N547 VanDerWaalsContact CD-ND2 3.3Å; Q166-N547 PolarHBondContact NE2-ND2 2.91Å; Q166-N547 VanDerWaalsContact OE1-CG 3.32Å; Q166-N547 PolarHBondContact OE1-ND2 3.28Å; Q166-N547 PolarHBondContact OE1-OD1 3.48Å; Q166-N547 VanDerWaalsContact OE1-OD1 3.08Å
167	H	79.6	Confident	77.3	Confident	32 Å²	32	58.8 Å²	58.8	15%	0.148	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-40.5	174	-67.1	162.2	0	0	0	110.9	Q135 E163 M164 Q170 Y171	Q135-H167 PolarHBondContact NE2-ND1 2.87Å; E163-H167 PolarHBondContact O-N 2.83Å; M164-H167 PolarHBondContact O-N 2.97Å; M164-H167 HydrophobicContact SD-CB 4.29Å; H167-Q170 PolarHBondContact O-N 3.44Å; H167-Y171 HydrophobicContact CB-CD2 4.41Å; H167-Y171 HydrophobicContact CB-CE2 3.96Å; H167-Y171 WeakPolarHBondContact O-CB 3.45Å; H167-Y171 WeakPolarHBondContact O-CD2 3.31Å; H167-Y171 PolarHBondContact O-N 3.1Å
168	L	81.8	Confident	78.1	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.8	-72.7	170.8	0	0	0	112.3	A151 H152 F155 M164 G165 Q166 Y171 K172 F182	A151-L168 HydrophobicContact CB-CD2 3.9Å; A151-L168 HydrophobicContact CB-CG 4.42Å; H152-L168 HydrophobicContact CB-CD2 4.07Å; F155-L168 HydrophobicContact CB-CD1 3.67Å; F155-L168 HydrophobicContact CD1-CD1 3.8Å; F155-L168 HydrophobicContact CD2-CD1 4.01Å; F155-L168 HydrophobicContact CE1-CD1 4.46Å; F155-L168 HydrophobicContact CG-CD1 3.54Å; M164-L168 VanDerWaalsContact O-CG 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.05Å; M164-L168 PolarHBondContact O-N 3.09Å; G165-L168 PolarHBondContact O-N 3.14Å; Q166-L168 PolarHBondContact O-N 3.44Å; L168-Y171 PolarHBondContact O-N 2.9Å; L168-K172 WeakPolarHBondContact O-CG 3.22Å; L168-K172 PolarHBondContact O-N 3.15Å; L168-K172 VanDerWaalsContact O-N 3.12Å; L168-F182 HydrophobicContact CD2-CD1 3.65Å; L168-F182 HydrophobicContact CD2-CE1 3.63Å
169	E	83.9	Confident	78.6	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-43.2	174.5	-63.6	-49.6	135.1	0	0	111.7	G165 Q166 Y171 K172 D173	G165-E169 PolarHBondContact O-N 2.86Å; G165-E169 VanDerWaalsContact O-N 3.16Å; Q166-E169 PolarHBondContact O-N 3.41Å; E169-Y171 VanDerWaalsContact C-N 3.31Å; E169-Y171 PolarHBondContact O-N 3.45Å; E169-K172 WeakPolarHBondContact O-CB 3.42Å; E169-K172 PolarHBondContact O-N 3.39Å; E169-K172 VanDerWaalsContact O-N 3.15Å; E169-K172 IonicContact OE1-NZ 3.57Å; E169-K172 PolarHBondContact OE1-NZ 2.99Å; E169-K172 WeakPolarHBondContact OE2-CD 3.43Å; E169-K172 IonicContact OE2-NZ 2.77Å; E169-K172 PolarHBondContact OE2-NZ 3.27Å; E169-D173 PolarHBondContact O-N 3.29Å
170	Q	85	Confident	79.6	Confident	98 Å²	98	75.4 Å²	75.4	46%	0.458	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-41.1	175.7	-70.2	171.7	14	0	0	112.1	Q166 H167 K172 D173 L174	Q166-Q170 WeakPolarHBondContact O-CG 3.34Å; Q166-Q170 PolarHBondContact O-N 3.03Å; H167-Q170 PolarHBondContact O-N 3.44Å; Q170-K172 VanDerWaalsContact C-N 3.3Å; Q170-K172 PolarHBondContact O-N 2.94Å; Q170-D173 PolarHBondContact O-N 2.94Å; Q170-L174 PolarHBondContact O-N 3.21Å
171	Y	87.8	Confident	81	Confident	1 Å²	1	72.9 Å²	72.9	0%	0.004	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-32.1	177.9	-67.5	-35.1	0	0	0	112.4	Q135 Q139 A147 A148 A151 H167 L168 E169 D173 L174 V177	Q135-Y171 PolarHBondContact OE1-OH 2.04Å; Q139-Y171 HydrophobicContact CG-CE1 4.43Å; A147-Y171 HydrophobicContact CB-CE1 4.08Å; A147-Y171 HydrophobicContact CB-CE2 4.24Å; A148-Y171 HydrophobicContact CB-CD2 4.29Å; A148-Y171 HydrophobicContact CB-CG 4.33Å; A151-Y171 HydrophobicContact CB-CD2 4.04Å; A151-Y171 HydrophobicContact CB-CE2 3.71Å; H167-Y171 HydrophobicContact CB-CD2 4.41Å; H167-Y171 HydrophobicContact CB-CE2 3.96Å; H167-Y171 WeakPolarHBondContact O-CB 3.45Å; H167-Y171 WeakPolarHBondContact O-CD2 3.31Å; H167-Y171 PolarHBondContact O-N 3.1Å; L168-Y171 PolarHBondContact O-N 2.9Å; E169-Y171 VanDerWaalsContact C-N 3.31Å; E169-Y171 PolarHBondContact O-N 3.45Å; Y171-D173 VanDerWaalsContact C-N 3.25Å; Y171-D173 PolarHBondContact O-N 3.19Å; Y171-L174 HydrophobicContact CD1-CD1 3.73Å; Y171-L174 HydrophobicContact CE1-CD1 4.34Å; Y171-L174 PolarHBondContact O-N 2.04Å; Y171-V177 WeakPolarHBondContact O-CB 3.45Å; Y171-V177 WeakPolarHBondContact O-CG1 3.29Å; Y171-V177 WeakPolarHBondContact O-CG2 3.43Å
172	K	87.6	Confident	82.2	Confident	105 Å²	105	73.2 Å²	73.2	46%	0.457	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-32.3	175.1	-68.7	171.9	-169.9	170.6	0	112.5	L168 E169 Q170 L174 F182	L168-K172 WeakPolarHBondContact O-CG 3.22Å; L168-K172 PolarHBondContact O-N 3.15Å; L168-K172 VanDerWaalsContact O-N 3.12Å; E169-K172 WeakPolarHBondContact O-CB 3.42Å; E169-K172 PolarHBondContact O-N 3.39Å; E169-K172 VanDerWaalsContact O-N 3.15Å; E169-K172 IonicContact OE1-NZ 3.57Å; E169-K172 PolarHBondContact OE1-NZ 2.99Å; E169-K172 WeakPolarHBondContact OE2-CD 3.43Å; E169-K172 IonicContact OE2-NZ 2.77Å; E169-K172 PolarHBondContact OE2-NZ 3.27Å; Q170-K172 VanDerWaalsContact C-N 3.3Å; Q170-K172 PolarHBondContact O-N 2.94Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-F182 HydrophobicContact CB-CZ 4.35Å; K172-F182 HydrophobicContact CG-CE1 4.25Å; K172-F182 HydrophobicContact CG-CE2 3.86Å; K172-F182 HydrophobicContact CG-CZ 3.49Å; K172-F182 VanDerWaalsContact CG-CZ 3.49Å
173	D	88.4	Confident	83.4	Confident	145 Å²	145	72.2 Å²	72.2	78%	0.775	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.3	-179.2	-67	-28.5	0	0	0	113.2	E169 Q170 Y171	E169-D173 PolarHBondContact O-N 3.29Å; Q170-D173 PolarHBondContact O-N 2.94Å; Y171-D173 VanDerWaalsContact C-N 3.25Å; Y171-D173 PolarHBondContact O-N 3.19Å
174	L	88.4	Confident	84.6	Confident	79 Å²	79	72.2 Å²	72.2	41%	0.414	37%	0.373	S	S	.	.	S	Bend	trans	-76.6	132.6	179.9	-73	-176.5	0	0	0	112.3	P144 Q170 Y171 K172 G176 V177	P144-L174 HydrophobicContact CB-CD1 3.81Å; Q170-L174 PolarHBondContact O-N 3.21Å; Y171-L174 HydrophobicContact CD1-CD1 3.73Å; Y171-L174 HydrophobicContact CE1-CD1 4.34Å; Y171-L174 PolarHBondContact O-N 2.04Å; K172-L174 VanDerWaalsContact C-N 3.34Å; L174-G176 PolarHBondContact O-N 3.36Å; L174-V177 HydrophobicContact CB-CB 4.49Å; L174-V177 HydrophobicContact CB-CG2 3.86Å; L174-V177 PolarHBondContact O-N 3.3Å; L174-V177 VanDerWaalsContact O-N 3.11Å
175	Q	83.6	Confident	85.5	Confident	200 Å²	200	77.1 Å²	77.1	94%	0.935	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	120.4	174.1	-168.6	177.1	12	0	0	110.7
176	G	80.8	Confident	86.8	Confident	55 Å²	55	79 Å²	79	57%	0.567	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-1.5	-178.3	0	0	0	0	0	114.7	L174 H181	L174-G176 PolarHBondContact O-N 3.36Å; G176-H181 PolarHBondContact O-CE1 3.06Å
177	V	89.4	Confident	87.6	Confident	16 Å²	16	77.6 Å²	77.6	10%	0.097	39%	0.394	C	S	.	.			trans	-97.3	125.8	169	-175.6	0	0	0	0	109.3	P144 A148 Y171 L174 H181 F182	P144-V177 HydrophobicContact CB-CG2 3.72Å; P144-V177 HydrophobicContact CG-CG2 4.23Å; A148-V177 HydrophobicContact CB-CG1 4.04Å; Y171-V177 WeakPolarHBondContact O-CB 3.45Å; Y171-V177 WeakPolarHBondContact O-CG1 3.29Å; Y171-V177 WeakPolarHBondContact O-CG2 3.43Å; L174-V177 HydrophobicContact CB-CB 4.49Å; L174-V177 HydrophobicContact CB-CG2 3.86Å; L174-V177 PolarHBondContact O-N 3.3Å; L174-V177 VanDerWaalsContact O-N 3.11Å; V177-H181 HydrophobicContact CG1-CB 4.32Å; V177-F182 HydrophobicContact CG1-CE2 3.67Å; V177-F182 HydrophobicContact CG1-CZ 3.94Å
178	E	90.4	Very high	88.2	Confident	119 Å²	119	79.5 Å²	79.5	56%	0.556	40%	0.399	S	S	*	.			trans	-111.5	163.2	176.7	-68.9	179.1	-174.5	0	0	109.9	N180 H181	E178-N180 VanDerWaalsContact CB-OD1 3.27Å; E178-N180 WeakPolarHBondContact CB-OD1 3.29Å; E178-N180 PolarHBondContact O-N 2.94Å; E178-N180 PolarHBondContact OE2-ND2 3.3Å; E178-H181 PolarHBondContact N-ND1 3.26Å; E178-H181 VanDerWaalsContact N-ND1 3.16Å; E178-H181 WeakPolarHBondContact O-CB 3.36Å; E178-H181 PolarHBondContact O-N 3.45Å
179	E	84.1	Confident	88.9	Confident	180 Å²	180	81.9 Å²	81.9	84%	0.841	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-57	-32.9	178.5	-169.6	175.2	-176.3	0	0	112.4	H181 F182	E179-H181 PolarHBondContact O-N 3.44Å; E179-F182 PolarHBondContact O-N 3.41Å
180	N	86.9	Confident	89.5	Confident	99 Å²	99	77.1 Å²	77.1	53%	0.529	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-69	-9.8	177.8	64.6	15.4	0	0	0	114.4	E178 V183	E178-N180 VanDerWaalsContact CB-OD1 3.27Å; E178-N180 WeakPolarHBondContact CB-OD1 3.29Å; E178-N180 PolarHBondContact O-N 2.94Å; E178-N180 PolarHBondContact OE2-ND2 3.3Å; N180-V183 WeakPolarHBondContact O-CG2 3.32Å
181	H	91	Very high	89.7	Confident	54 Å²	54	73.3 Å²	73.3	25%	0.25	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-84.8	-15	176	-63.5	153.8	0	0	0	112.5	A149 G176 V177 E178 E179 V183	A149-H181 WeakPolarHBondContact CA-O 3.25Å; A149-H181 WeakPolarHBondContact CB-O 3.3Å; A149-H181 PolarHBondContact N-O 3.02Å; G176-H181 PolarHBondContact O-CE1 3.06Å; V177-H181 HydrophobicContact CG1-CB 4.32Å; E178-H181 PolarHBondContact N-ND1 3.26Å; E178-H181 VanDerWaalsContact N-ND1 3.16Å; E178-H181 WeakPolarHBondContact O-CB 3.36Å; E178-H181 PolarHBondContact O-N 3.45Å; E179-H181 PolarHBondContact O-N 3.44Å; H181-V183 VanDerWaalsContact C-N 3.28Å; H181-V183 PolarHBondContact O-N 3.25Å
182	F	90.3	Very high	89.9	Confident	34 Å²	34	79.1 Å²	79.1	15%	0.149	40%	0.403	C	S	.	.			trans	-83.9	72	176.9	-65.4	-88.3	0	0	0	110.7	A148 H152 L168 K172 V177 E179	A148-F182 HydrophobicContact CB-CD1 4.27Å; A148-F182 HydrophobicContact CB-CE1 3.97Å; A148-F182 HydrophobicContact CB-CZ 4.14Å; H152-F182 HydrophobicContact CB-CB 4.39Å; H152-F182 HydrophobicContact CB-CD1 4.35Å; L168-F182 HydrophobicContact CD2-CD1 3.65Å; L168-F182 HydrophobicContact CD2-CE1 3.63Å; K172-F182 HydrophobicContact CB-CZ 4.35Å; K172-F182 HydrophobicContact CG-CE1 4.25Å; K172-F182 HydrophobicContact CG-CE2 3.86Å; K172-F182 HydrophobicContact CG-CZ 3.49Å; K172-F182 VanDerWaalsContact CG-CZ 3.49Å; V177-F182 HydrophobicContact CG1-CE2 3.67Å; V177-F182 HydrophobicContact CG1-CZ 3.94Å; E179-F182 PolarHBondContact O-N 3.41Å
183	V	89.9	Confident	90.2	Very high	75 Å²	75	75.3 Å²	75.3	46%	0.455	39%	0.389	S	S	.	.			trans	-108.9	133	-176.1	-177.3	0	0	0	0	110.4	T153 N180 H181 R185	T153-V183 PolarHBondContact OG1-O 2.71Å; N180-V183 WeakPolarHBondContact O-CG2 3.32Å; H181-V183 VanDerWaalsContact C-N 3.28Å; H181-V183 PolarHBondContact O-N 3.25Å; V183-R185 PolarHBondContact O-N 3.09Å
184	D	91.4	Very high	90.3	Very high	27 Å²	27	68.8 Å²	68.8	14%	0.144	35%	0.354	C	S	.	.			trans	-75.2	106.3	164.9	-178.4	3.4	0	0	0	109.2	R128 H152 Q156 E186 A187	R128-D184 IonicContact CZ-OD1 3.05Å; R128-D184 IonicContact CZ-OD2 3.64Å; R128-D184 IonicContact NH1-OD1 3.65Å; R128-D184 PolarHBondContact NH1-OD1 2.74Å; R128-D184 IonicContact NH1-OD2 3.41Å; R128-D184 PolarHBondContact NH1-OD2 3.03Å; R128-D184 IonicContact NH2-OD1 3.69Å; R128-D184 PolarHBondContact NH2-OD1 2.86Å; R128-D184 IonicContact NH2-OD2 2.76Å; R128-D184 PolarHBondContact NH2-OD2 3.24Å; H152-D184 PolarHBondContact CD2-N 2.73Å; Q156-D184 HydrophobicContact CG-CB 4.01Å; D184-E186 PolarHBondContact O-N 3.16Å; D184-E186 PolarHBondContact OD1-N 2.98Å; D184-A187 HydrophobicContact CB-CB 4.03Å; D184-A187 VanDerWaalsContact CG-N 3.35Å; D184-A187 WeakPolarHBondContact O-CB 3.47Å; D184-A187 PolarHBondContact O-N 3.2Å; D184-A187 PolarHBondContact OD1-N 2.86Å
185	R	94.6	Very high	90.2	Very high	102 Å²	102	68.5 Å²	68.5	39%	0.385	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12	-179	-64.6	176.1	57.3	-169.5	-3.1	113.1	E55 Y131 T153 V183	E55-R185 IonicContact OE1-CZ 3.69Å; E55-R185 IonicContact OE1-NH1 3.42Å; E55-R185 PolarHBondContact OE1-NH1 3.17Å; E55-R185 IonicContact OE1-NH2 3.76Å; E55-R185 PolarHBondContact OE1-NH2 3.45Å; E55-R185 IonicContact OE2-CZ 3Å; E55-R185 IonicContact OE2-NH1 2.73Å; E55-R185 IonicContact OE2-NH2 3.24Å; E55-R185 PolarHBondContact OE2-NH2 3.14Å; Y131-R185 HydrophobicContact CE1-CB 4.07Å; T153-R185 HydrophobicContact CG2-CB 4.26Å; T153-R185 PolarHBondContact OG1-N 3.03Å; V183-R185 PolarHBondContact O-N 3.09Å
186	E	93.2	Very high	90.3	Very high	62 Å²	62	60.8 Å²	60.8	29%	0.29	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	25.5	174.6	-59.9	-162.9	168.5	0	0	111.9	R128 Y131 T153 D184 R188	R128-E186 IonicContact NE-OE2 3.28Å; R128-E186 PolarHBondContact NE-OE2 2.72Å; R128-E186 PolarHBondContact NH2-O 3.44Å; Y131-E186 HydrophobicContact CE2-CG 3.89Å; Y131-E186 VanDerWaalsContact CE2-OE1 3.32Å; Y131-E186 WeakPolarHBondContact CE2-OE1 3.46Å; Y131-E186 VanDerWaalsContact OH-CG 3.27Å; Y131-E186 WeakPolarHBondContact OH-CG 3.49Å; Y131-E186 PolarHBondContact OH-OE1 3.41Å; T153-E186 HydrophobicContact CG2-CB 4.48Å; T153-E186 HydrophobicContact CG2-CG 4.28Å; D184-E186 PolarHBondContact O-N 3.16Å; D184-E186 PolarHBondContact OD1-N 2.98Å; E186-R188 PolarHBondContact O-N 3.15Å
187	A	91	Very high	90.7	Very high	33 Å²	33	58.1 Å²	58.1	27%	0.273	30%	0.299	S	S	.	.			trans	-55.1	130.2	175.3	0	0	0	0	0	110.6	D184 P189	D184-A187 HydrophobicContact CB-CB 4.03Å; D184-A187 VanDerWaalsContact CG-N 3.35Å; D184-A187 WeakPolarHBondContact O-CB 3.47Å; D184-A187 PolarHBondContact O-N 3.2Å; D184-A187 PolarHBondContact OD1-N 2.86Å; A187-P189 WeakPolarHBondContact O-CD 3.47Å
188	R	92.8	Very high	90.4	Very high	71 Å²	71	58.7 Å²	58.7	27%	0.268	30%	0.302	S	S	.	.			trans	-79.1	121.5	174	-64.2	-179.5	177.8	-168.1	-3.3	108.6	E186 H190 Q191 Q192 D270 T273	E186-R188 PolarHBondContact O-N 3.15Å; R188-H190 VanDerWaalsContact C-N 3.35Å; R188-H190 PolarHBondContact O-N 2.77Å; R188-Q191 HydrophobicContact CB-CB 4.32Å; R188-Q191 PolarHBondContact O-N 3.23Å; R188-Q191 VanDerWaalsContact O-N 3.13Å; R188-Q192 PolarHBondContact O-N 2.87Å; R188-D270 IonicContact CZ-OD1 2.71Å; R188-D270 PolarHBondContact NH1-O 3.08Å; R188-D270 IonicContact NH1-OD1 3.63Å; R188-D270 IonicContact NH2-OD1 3.3Å; R188-D270 PolarHBondContact NH2-OD1 2.81Å; R188-D270 IonicContact NH2-OD2 3.62Å; R188-T273 PolarHBondContact NH1-O 2.96Å
189	P	96.1	Very high	89.9	Confident	62 Å²	62	59 Å²	59	40%	0.403	30%	0.302	S	S	.	.	H	α-helix	trans	-55.2	-43.7	-172.3	-29.8	36.1	0	0	0	114.4	A187 Q191 Q192 S193 E219	A187-P189 WeakPolarHBondContact O-CD 3.47Å; P189-Q191 PolarHBondContact O-N 3.48Å; P189-Q192 PolarHBondContact O-N 2.72Å; P189-S193 PolarHBondContact O-N 2.81Å; P189-S193 PolarHBondContact O-OG 3.46Å; P189-E219 HydrophobicContact CB-CB 4.07Å; P189-E219 HydrophobicContact CB-CG 3.87Å
190	H	95.9	Very high	90	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-40.8	179.2	66.2	89.6	0	0	0	112.9	R188 F194 E219 L271 Y284	R188-H190 VanDerWaalsContact C-N 3.35Å; R188-H190 PolarHBondContact O-N 2.77Å; H190-F194 VanDerWaalsContact O-CB 3.23Å; H190-F194 WeakPolarHBondContact O-CB 3.25Å; H190-F194 PolarHBondContact O-N 3.01Å; H190-E219 HydrophobicContact CB-CB 3.9Å; H190-L271 PolarHBondContact CE1-O 3.39Å; H190-Y284 AromaticContact CE1-CE1 3.97Å; H190-Y284 AromaticContact ND1-CE1 3.53Å; H190-Y284 AromaticContact ND1-CZ 3.66Å; H190-Y284 PolarHBondContact ND1-OH 2.89Å; H190-Y284 PolarHBondContact O-OH 2.75Å
191	Q	90.9	Very high	89.9	Confident	17 Å²	17	48.4 Å²	48.4	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-37.3	175.9	-79.4	170.9	10.6	0	0	112	R188 P189 T195 L271 T273 Y284	R188-Q191 HydrophobicContact CB-CB 4.32Å; R188-Q191 PolarHBondContact O-N 3.23Å; R188-Q191 VanDerWaalsContact O-N 3.13Å; P189-Q191 PolarHBondContact O-N 3.48Å; Q191-T195 WeakPolarHBondContact O-CB 3.43Å; Q191-T195 PolarHBondContact O-N 2.85Å; Q191-T195 PolarHBondContact O-OG1 3.41Å; Q191-L271 PolarHBondContact NE2-O 3.11Å; Q191-T273 PolarHBondContact NE2-O 2.87Å; Q191-Y284 WeakPolarHBondContact CA-OH 3.16Å; Q191-Y284 PolarHBondContact N-OH 3.12Å
192	Q	91.5	Very high	89.4	Confident	124 Å²	124	51.4 Å²	51.4	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-63.8	-50.5	177.3	-174.2	179.5	14.8	0	0	111.3	R188 P189 T195 A196	R188-Q192 PolarHBondContact O-N 2.87Å; P189-Q192 PolarHBondContact O-N 2.72Å; Q192-T195 PolarHBondContact O-N 2.8Å; Q192-A196 WeakPolarHBondContact O-CB 3.29Å; Q192-A196 PolarHBondContact O-N 2.83Å
193	S	94.5	Very high	89.3	Confident	24 Å²	24	57.7 Å²	57.7	17%	0.168	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-44.6	177	-63.5	0	0	0	0	111.3	P189 T195 A196 A197	P189-S193 PolarHBondContact O-N 2.81Å; P189-S193 PolarHBondContact O-OG 3.46Å; S193-T195 PolarHBondContact O-N 2.84Å; S193-A196 PolarHBondContact O-N 3.26Å; S193-A197 WeakPolarHBondContact O-CB 3.48Å; S193-A197 PolarHBondContact O-N 2.89Å
194	F	90.1	Very high	89.2	Confident	9 Å²	9	55.9 Å²	55.9	4%	0.039	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-48.6	177.1	-176.8	-91.6	0	0	0	112.3	H190 A196 A197 V198 F213 A216 M281 Y284 L287 H288 Y291	H190-F194 VanDerWaalsContact O-CB 3.23Å; H190-F194 WeakPolarHBondContact O-CB 3.25Å; H190-F194 PolarHBondContact O-N 3.01Å; F194-A196 VanDerWaalsContact C-N 3.3Å; F194-A196 PolarHBondContact O-N 3.13Å; F194-A197 WeakPolarHBondContact O-CB 3.3Å; F194-A197 PolarHBondContact O-N 3.42Å; F194-V198 HydrophobicContact CD1-CG2 4.18Å; F194-V198 HydrophobicContact CE1-CG2 3.78Å; F194-V198 HydrophobicContact CZ-CG2 4.06Å; F194-V198 WeakPolarHBondContact O-CG2 3.38Å; F194-V198 PolarHBondContact O-N 3.03Å; F194-F213 AromaticContact CD2-CD1 3.85Å; F194-F213 HydrophobicContact CD2-CD1 3.85Å; F194-F213 AromaticContact CD2-CE1 3.64Å; F194-F213 HydrophobicContact CD2-CE1 3.64Å; F194-F213 HydrophobicContact CE2-CD1 4.1Å; F194-F213 AromaticContact CE2-CE1 3.61Å; F194-F213 HydrophobicContact CE2-CE1 3.61Å; F194-F213 HydrophobicContact CG-CE1 4.36Å; F194-F213 HydrophobicContact CZ-CE1 4.27Å; F194-A216 HydrophobicContact CB-CB 4.06Å; F194-M281 HydrophobicContact CD1-CE 4.5Å; F194-M281 HydrophobicContact CE1-CE 3.99Å; F194-Y284 HydrophobicContact CB-CE2 4.32Å; F194-Y284 AromaticContact CD1-CE2 3.89Å; F194-Y284 HydrophobicContact CD1-CE2 3.89Å; F194-Y284 HydrophobicContact CD2-CE2 4.19Å; F194-Y284 HydrophobicContact CE1-CE2 4.27Å; F194-Y284 AromaticContact CG-CE2 3.86Å; F194-Y284 HydrophobicContact CG-CE2 3.86Å; F194-L287 HydrophobicContact CE1-CD2 4.43Å; F194-L287 HydrophobicContact CE2-CG 4.46Å; F194-L287 HydrophobicContact CZ-CD2 3.68Å; F194-L287 HydrophobicContact CZ-CG 3.95Å; F194-H288 AromaticContact CD2-CD2 3.62Å; F194-H288 AromaticContact CD2-CE1 3.38Å; F194-H288 WeakPolarHBondContact CD2-CE1 3.36Å; F194-H288 AromaticContact CD2-CG 3.89Å; F194-H288 AromaticContact CD2-ND1 3.74Å; F194-H288 AromaticContact CD2-NE2 3.29Å; F194-H288 VanDerWaalsContact CD2-NE2 3.29Å; F194-H288 WeakPolarHBondContact CD2-NE2 3.37Å; F194-H288 AromaticContact CE2-CE1 3.76Å; F194-H288 AromaticContact CE2-CG 3.96Å; F194-H288 AromaticContact CE2-ND1 3.7Å; F194-Y291 HydrophobicContact CE2-CD2 4.26Å; F194-Y291 HydrophobicContact CZ-CD2 4.14Å; F194-Y291 HydrophobicContact CZ-CE2 4.03Å
195	T	85.4	Confident	89.4	Confident	72 Å²	72	58.3 Å²	58.3	44%	0.442	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-37.2	-179.8	-56.2	0	0	0	0	111.7	Q191 Q192 S193 K199	Q191-T195 WeakPolarHBondContact O-CB 3.43Å; Q191-T195 PolarHBondContact O-N 2.85Å; Q191-T195 PolarHBondContact O-OG1 3.41Å; Q192-T195 PolarHBondContact O-N 2.8Å; S193-T195 PolarHBondContact O-N 2.84Å; T195-K199 WeakPolarHBondContact O-CG 3.41Å; T195-K199 PolarHBondContact O-N 3.45Å
196	A	87.2	Confident	89.3	Confident	38 Å²	38	56 Å²	56	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-70.3	-37.5	175.5	0	0	0	0	0	112	Q192 S193 F194 K199 L200 L212	Q192-A196 WeakPolarHBondContact O-CB 3.29Å; Q192-A196 PolarHBondContact O-N 2.83Å; S193-A196 PolarHBondContact O-N 3.26Å; F194-A196 VanDerWaalsContact C-N 3.3Å; F194-A196 PolarHBondContact O-N 3.13Å; A196-K199 PolarHBondContact O-N 3.42Å; A196-L200 PolarHBondContact O-N 3.39Å; A196-L212 HydrophobicContact CB-CD1 3.72Å
197	A	87.8	Confident	89.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.2	0	0	0	0	0	112	S193 F194 K199 L200 Y201 L212 F213	S193-A197 WeakPolarHBondContact O-CB 3.48Å; S193-A197 PolarHBondContact O-N 2.89Å; F194-A197 WeakPolarHBondContact O-CB 3.3Å; F194-A197 PolarHBondContact O-N 3.42Å; A197-K199 VanDerWaalsContact C-N 3.3Å; A197-K199 PolarHBondContact O-N 3.07Å; A197-L200 PolarHBondContact O-N 2.98Å; A197-L200 VanDerWaalsContact O-N 3.1Å; A197-Y201 WeakPolarHBondContact O-CB 3.1Å; A197-Y201 PolarHBondContact O-N 3.49Å; A197-L212 HydrophobicContact CB-CB 3.55Å; A197-F213 HydrophobicContact CB-CB 4.32Å; A197-F213 HydrophobicContact CB-CD1 3.5Å; A197-F213 HydrophobicContact CB-CD2 3.62Å; A197-F213 HydrophobicContact CB-CE1 3.55Å; A197-F213 HydrophobicContact CB-CE2 3.65Å; A197-F213 HydrophobicContact CB-CG 3.52Å; A197-F213 HydrophobicContact CB-CZ 3.62Å
198	V	82.6	Confident	89.9	Confident	27 Å²	27	57.8 Å²	57.8	16%	0.164	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-43.8	174.7	174.1	0	0	0	0	110.9	F194 L200 Y201 D202 F213 Y291	F194-V198 HydrophobicContact CD1-CG2 4.18Å; F194-V198 HydrophobicContact CE1-CG2 3.78Å; F194-V198 HydrophobicContact CZ-CG2 4.06Å; F194-V198 WeakPolarHBondContact O-CG2 3.38Å; F194-V198 PolarHBondContact O-N 3.03Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 2.83Å; V198-Y201 WeakPolarHBondContact O-CB 3.43Å; V198-Y201 PolarHBondContact O-N 3.24Å; V198-D202 PolarHBondContact O-N 2.86Å; V198-F213 HydrophobicContact CG2-CE1 3.98Å; V198-F213 HydrophobicContact CG2-CZ 3.77Å; V198-Y291 HydrophobicContact CG2-CE2 3.99Å
199	K	81.3	Confident	89.9	Confident	127 Å²	127	54.4 Å²	54.4	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-32.9	177.3	-71.8	175.7	-177.9	179.5	0	113.9	T195 A196 A197 K203	T195-K199 WeakPolarHBondContact O-CG 3.41Å; T195-K199 PolarHBondContact O-N 3.45Å; A196-K199 PolarHBondContact O-N 3.42Å; A197-K199 VanDerWaalsContact C-N 3.3Å; A197-K199 PolarHBondContact O-N 3.07Å; K199-K203 WeakPolarHBondContact O-CD 3.39Å; K199-K203 VanDerWaalsContact O-CG 3.24Å; K199-K203 WeakPolarHBondContact O-CG 3.3Å
200	L	85.3	Confident	90	Very high	44 Å²	44	51.6 Å²	51.6	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-76.1	-40.9	175.3	-69.3	-176.8	0	0	0	111	A196 A197 V198 D202 K203 G204 D205 G208 A209 L212	A196-L200 PolarHBondContact O-N 3.39Å; A197-L200 PolarHBondContact O-N 2.98Å; A197-L200 VanDerWaalsContact O-N 3.1Å; V198-L200 VanDerWaalsContact C-N 3.31Å; V198-L200 PolarHBondContact O-N 2.83Å; L200-D202 PolarHBondContact O-N 2.86Å; L200-K203 CarbonylContact O-C 3.36Å; L200-K203 WeakPolarHBondContact O-CB 3.26Å; L200-K203 PolarHBondContact O-N 2.81Å; L200-K203 VanDerWaalsContact O-N 3.12Å; L200-G204 PolarHBondContact O-N 2.03Å; L200-D205 HydrophobicContact CB-CB 4.31Å; L200-D205 HydrophobicContact CD2-CB 4.48Å; L200-D205 PolarHBondContact O-N 3.38Å; L200-G208 VanDerWaalsContact CD1-C 3.48Å; L200-A209 HydrophobicContact CB-CB 4.1Å; L200-L212 HydrophobicContact CD1-CD1 3.58Å; L200-L212 HydrophobicContact CD1-CG 4.4Å; L200-L212 HydrophobicContact CG-CD1 4.39Å
201	Y	86.3	Confident	90.1	Very high	11 Å²	11	54.6 Å²	54.6	4%	0.043	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-49.5	175.5	-175.4	-84.1	0	0	0	111.6	A197 V198 K203 G204 Y206 A209 F213 Y291 F294 A295 R380	A197-Y201 WeakPolarHBondContact O-CB 3.1Å; A197-Y201 PolarHBondContact O-N 3.49Å; V198-Y201 WeakPolarHBondContact O-CB 3.43Å; V198-Y201 PolarHBondContact O-N 3.24Å; Y201-K203 PolarHBondContact O-N 3.1Å; Y201-G204 WeakPolarHBondContact O-CA 3.43Å; Y201-G204 PolarHBondContact O-N 3.08Å; Y201-Y206 AromaticContact CD2-CD1 3.99Å; Y201-Y206 HydrophobicContact CD2-CD1 3.99Å; Y201-Y206 HydrophobicContact CD2-CE1 4.09Å; Y201-Y206 HydrophobicContact CE2-CD1 4.07Å; Y201-Y206 AromaticContact CE2-CE1 3.94Å; Y201-Y206 HydrophobicContact CE2-CE1 3.94Å; Y201-A209 HydrophobicContact CD2-CB 4.43Å; Y201-F213 HydrophobicContact CD2-CE2 4.27Å; Y201-Y291 AromaticContact CD1-CD1 3.91Å; Y201-Y291 HydrophobicContact CD1-CD1 3.91Å; Y201-Y291 AromaticContact CD1-CE1 3.74Å; Y201-Y291 HydrophobicContact CD1-CE1 3.74Å; Y201-Y291 AromaticContact CD2-CD1 3.83Å; Y201-Y291 HydrophobicContact CD2-CD1 3.83Å; Y201-Y291 HydrophobicContact CD2-CE1 4.49Å; Y201-Y291 AromaticContact CE1-CD1 3.89Å; Y201-Y291 HydrophobicContact CE1-CD1 3.89Å; Y201-Y291 AromaticContact CE1-CE1 3.77Å; Y201-Y291 HydrophobicContact CE1-CE1 3.77Å; Y201-Y291 AromaticContact CE2-CD1 3.77Å; Y201-Y291 HydrophobicContact CE2-CD1 3.77Å; Y201-Y291 HydrophobicContact CE2-CE1 4.49Å; Y201-Y291 AromaticContact CG-CD1 3.88Å; Y201-Y291 HydrophobicContact CG-CD1 3.88Å; Y201-Y291 HydrophobicContact CG-CE1 4.11Å; Y201-Y291 AromaticContact CZ-CD1 3.78Å; Y201-F294 HydrophobicContact CE2-CB 4.49Å; Y201-F294 AromaticContact CE2-CD1 3.76Å; Y201-F294 HydrophobicContact CE2-CD1 3.76Å; Y201-F294 AromaticContact CZ-CD1 3.6Å; Y201-F294 WeakPolarHBondContact OH-CD1 3.38Å; Y201-F294 WeakPolarHBondContact OH-CE1 3.23Å; Y201-F294 WeakPolarHBondContact OH-CG 3.2Å; Y201-A295 HydrophobicContact CD2-CB 4.23Å; Y201-A295 HydrophobicContact CE2-CB 4.21Å; Y201-R380 PolarHBondContact OH-NH1 3.03Å
202	D	79.3	Confident	90.4	Very high	117 Å²	117	55.9 Å²	55.9	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-26.4	178.6	-65.7	-19.9	0	0	0	112.8	V198 L200 G204	V198-D202 PolarHBondContact O-N 2.86Å; L200-D202 PolarHBondContact O-N 2.86Å; D202-G204 VanDerWaalsContact C-N 3.3Å
203	K	89.3	Confident	90.7	Very high	167 Å²	167	50 Å²	50	73%	0.726	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5	174.6	-69.5	173.4	-174	178.6	0	113.1	K199 L200 Y201 D205	K199-K203 WeakPolarHBondContact O-CD 3.39Å; K199-K203 VanDerWaalsContact O-CG 3.24Å; K199-K203 WeakPolarHBondContact O-CG 3.3Å; L200-K203 CarbonylContact O-C 3.36Å; L200-K203 WeakPolarHBondContact O-CB 3.26Å; L200-K203 PolarHBondContact O-N 2.81Å; L200-K203 VanDerWaalsContact O-N 3.12Å; Y201-K203 PolarHBondContact O-N 3.1Å; K203-D205 VanDerWaalsContact C-N 3.32Å
204	G	86.3	Confident	90.9	Very high	37 Å²	37	50.7 Å²	50.7	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	10.4	-176.3	0	0	0	0	0	114.7	L200 Y201 D202 Y206	L200-G204 PolarHBondContact O-N 2.03Å; Y201-G204 WeakPolarHBondContact O-CA 3.43Å; Y201-G204 PolarHBondContact O-N 3.08Å; D202-G204 VanDerWaalsContact C-N 3.3Å; G204-Y206 VanDerWaalsContact C-N 3.29Å; G204-Y206 WeakPolarHBondContact O-CD2 3.42Å; G204-Y206 WeakPolarHBondContact O-CE2 3.43Å; G204-Y206 PolarHBondContact O-N 2.76Å; G204-Y206 VanDerWaalsContact O-N 3.1Å
205	D	95.9	Very high	91.3	Very high	77 Å²	77	54.1 Å²	54.1	41%	0.412	29%	0.293	S	S	.	.			trans	-83.5	76.8	171.6	-177.3	6.4	0	0	0	109.6	L200 K203 G208 A209	L200-D205 HydrophobicContact CB-CB 4.31Å; L200-D205 HydrophobicContact CD2-CB 4.48Å; L200-D205 PolarHBondContact O-N 3.38Å; K203-D205 VanDerWaalsContact C-N 3.32Å; D205-G208 PolarHBondContact OD1-N 2.93Å; D205-G208 VanDerWaalsContact OD1-N 3.08Å; D205-A209 VanDerWaalsContact O-CB 3.3Å; D205-A209 WeakPolarHBondContact O-CB 3.34Å; D205-A209 PolarHBondContact O-N 3.44Å
206	Y	93.2	Very high	91.9	Very high	54 Å²	54	50.7 Å²	50.7	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-69.6	-31.9	-175.3	-59.7	-71.8	0	0	0	113	Y201 G204 A209 V210 F294 A295 K298	Y201-Y206 AromaticContact CD2-CD1 3.99Å; Y201-Y206 HydrophobicContact CD2-CD1 3.99Å; Y201-Y206 HydrophobicContact CD2-CE1 4.09Å; Y201-Y206 HydrophobicContact CE2-CD1 4.07Å; Y201-Y206 AromaticContact CE2-CE1 3.94Å; Y201-Y206 HydrophobicContact CE2-CE1 3.94Å; G204-Y206 VanDerWaalsContact C-N 3.29Å; G204-Y206 WeakPolarHBondContact O-CD2 3.42Å; G204-Y206 WeakPolarHBondContact O-CE2 3.43Å; G204-Y206 PolarHBondContact O-N 2.76Å; G204-Y206 VanDerWaalsContact O-N 3.1Å; Y206-A209 PolarHBondContact O-N 3.19Å; Y206-V210 WeakPolarHBondContact O-CB 3.45Å; Y206-V210 VanDerWaalsContact O-CG2 3.26Å; Y206-V210 WeakPolarHBondContact O-CG2 3.3Å; Y206-V210 PolarHBondContact O-N 3.09Å; Y206-F294 HydrophobicContact CE1-CD1 4.09Å; Y206-F294 AromaticContact CE1-CE1 3.87Å; Y206-F294 HydrophobicContact CE1-CE1 3.87Å; Y206-A295 HydrophobicContact CD1-CB 4.31Å; Y206-K298 HydrophobicContact CD1-CB 3.98Å; Y206-K298 HydrophobicContact CD1-CG 3.99Å; Y206-K298 HydrophobicContact CD2-CB 3.52Å; Y206-K298 HydrophobicContact CD2-CD 4.48Å; Y206-K298 HydrophobicContact CD2-CG 3.9Å; Y206-K298 HydrophobicContact CE1-CB 4.37Å; Y206-K298 HydrophobicContact CE1-CG 3.89Å; Y206-K298 HydrophobicContact CE2-CB 3.96Å; Y206-K298 HydrophobicContact CE2-CD 4.07Å; Y206-K298 HydrophobicContact CE2-CG 3.81Å; Y206-K298 HydrophobicContact CG-CB 3.53Å; Y206-K298 HydrophobicContact CG-CG 3.98Å
207	E	97.8	Very high	92.4	Very high	113 Å²	113	49.1 Å²	49.1	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-46.4	177.5	-170.2	72.4	-163.3	0	0	110.6	V210 S211 V299	E207-V210 PolarHBondContact O-N 3.48Å; E207-S211 PolarHBondContact O-N 2.84Å; E207-V299 HydrophobicContact CB-CG1 4.28Å; E207-V299 WeakPolarHBondContact OE2-CG1 3.27Å
208	G	97.6	Very high	92.9	Very high	19 Å²	19	53.5 Å²	53.5	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-39.6	174.1	0	0	0	0	0	112.7	L200 D205 S211 L212	L200-G208 VanDerWaalsContact CD1-C 3.48Å; D205-G208 PolarHBondContact OD1-N 2.93Å; D205-G208 VanDerWaalsContact OD1-N 3.08Å; G208-S211 PolarHBondContact O-N 3.46Å; G208-L212 PolarHBondContact O-N 3.39Å
209	A	92.8	Very high	93.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-45.1	175.9	0	0	0	0	0	112.1	L200 Y201 D205 Y206 S211 L212 F213	L200-A209 HydrophobicContact CB-CB 4.1Å; Y201-A209 HydrophobicContact CD2-CB 4.43Å; D205-A209 VanDerWaalsContact O-CB 3.3Å; D205-A209 WeakPolarHBondContact O-CB 3.34Å; D205-A209 PolarHBondContact O-N 3.44Å; Y206-A209 PolarHBondContact O-N 3.19Å; A209-S211 VanDerWaalsContact C-N 3.34Å; A209-S211 PolarHBondContact O-N 2.93Å; A209-L212 PolarHBondContact O-N 3.38Å; A209-F213 HydrophobicContact CB-CD2 4.25Å; A209-F213 HydrophobicContact CB-CE2 4.16Å; A209-F213 WeakPolarHBondContact O-CB 3.27Å; A209-F213 WeakPolarHBondContact O-CD2 3.32Å; A209-F213 PolarHBondContact O-N 3.34Å
210	V	98.4	Very high	94.5	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-53.6	-51.5	174.8	161.3	0	0	0	0	110.5	Y206 E207 L212 F213 E214 A295 Y296	Y206-V210 WeakPolarHBondContact O-CB 3.45Å; Y206-V210 VanDerWaalsContact O-CG2 3.26Å; Y206-V210 WeakPolarHBondContact O-CG2 3.3Å; Y206-V210 PolarHBondContact O-N 3.09Å; E207-V210 PolarHBondContact O-N 3.48Å; V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 PolarHBondContact O-N 2.88Å; V210-F213 PolarHBondContact O-N 3.02Å; V210-E214 WeakPolarHBondContact O-CG 3.29Å; V210-E214 PolarHBondContact O-N 2.84Å; V210-A295 HydrophobicContact CG2-CB 3.6Å; V210-Y296 HydrophobicContact CB-CE1 4.34Å; V210-Y296 HydrophobicContact CG1-CD1 4.07Å; V210-Y296 HydrophobicContact CG1-CE1 3.31Å; V210-Y296 HydrophobicContact CG2-CD1 3.92Å; V210-Y296 HydrophobicContact CG2-CE1 3.99Å; V210-Y296 HydrophobicContact CG2-CG 4.37Å
211	S	98.4	Very high	95.1	Very high	66 Å²	66	48.6 Å²	48.6	46%	0.462	26%	0.259	S	S	.	.	H	α-helix	trans	-56	-46.4	-179.2	-171.5	0	0	0	0	112	E207 G208 A209 D215	E207-S211 PolarHBondContact O-N 2.84Å; G208-S211 PolarHBondContact O-N 3.46Å; A209-S211 VanDerWaalsContact C-N 3.34Å; A209-S211 PolarHBondContact O-N 2.93Å; S211-D215 VanDerWaalsContact O-CG 3.32Å; S211-D215 PolarHBondContact O-N 3.33Å; S211-D215 VanDerWaalsContact O-N 3.09Å
212	L	97.9	Very high	95.6	Very high	44 Å²	44	52.5 Å²	52.5	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-76	-31.5	-176.7	-68.3	-178.8	0	0	0	113.6	A196 A197 L200 G208 A209 V210 A216	A196-L212 HydrophobicContact CB-CD1 3.72Å; A197-L212 HydrophobicContact CB-CB 3.55Å; L200-L212 HydrophobicContact CD1-CD1 3.58Å; L200-L212 HydrophobicContact CD1-CG 4.4Å; L200-L212 HydrophobicContact CG-CD1 4.39Å; G208-L212 PolarHBondContact O-N 3.39Å; A209-L212 PolarHBondContact O-N 3.38Å; V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 PolarHBondContact O-N 2.88Å; L212-A216 WeakPolarHBondContact O-CB 3.42Å; L212-A216 PolarHBondContact O-N 3.07Å
213	F	97.8	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-37.4	173.5	-79.9	-57	0	0	0	111.9	F194 A197 V198 Y201 A209 V210 A216 L217 Y291 L292	F194-F213 AromaticContact CD2-CD1 3.85Å; F194-F213 HydrophobicContact CD2-CD1 3.85Å; F194-F213 AromaticContact CD2-CE1 3.64Å; F194-F213 HydrophobicContact CD2-CE1 3.64Å; F194-F213 HydrophobicContact CE2-CD1 4.1Å; F194-F213 AromaticContact CE2-CE1 3.61Å; F194-F213 HydrophobicContact CE2-CE1 3.61Å; F194-F213 HydrophobicContact CG-CE1 4.36Å; F194-F213 HydrophobicContact CZ-CE1 4.27Å; A197-F213 HydrophobicContact CB-CB 4.32Å; A197-F213 HydrophobicContact CB-CD1 3.5Å; A197-F213 HydrophobicContact CB-CD2 3.62Å; A197-F213 HydrophobicContact CB-CE1 3.55Å; A197-F213 HydrophobicContact CB-CE2 3.65Å; A197-F213 HydrophobicContact CB-CG 3.52Å; A197-F213 HydrophobicContact CB-CZ 3.62Å; V198-F213 HydrophobicContact CG2-CE1 3.98Å; V198-F213 HydrophobicContact CG2-CZ 3.77Å; Y201-F213 HydrophobicContact CD2-CE2 4.27Å; A209-F213 HydrophobicContact CB-CD2 4.25Å; A209-F213 HydrophobicContact CB-CE2 4.16Å; A209-F213 WeakPolarHBondContact O-CB 3.27Å; A209-F213 WeakPolarHBondContact O-CD2 3.32Å; A209-F213 PolarHBondContact O-N 3.34Å; V210-F213 PolarHBondContact O-N 3.02Å; F213-A216 WeakPolarHBondContact O-CB 3.44Å; F213-A216 PolarHBondContact O-N 3.33Å; F213-L217 PolarHBondContact O-N 3.2Å; F213-Y291 AromaticContact CE1-CD2 3.83Å; F213-Y291 HydrophobicContact CE1-CD2 3.83Å; F213-Y291 AromaticContact CE1-CG 3.91Å; F213-Y291 HydrophobicContact CE1-CG 3.91Å; F213-Y291 VanDerWaalsContact CE2-CB 3.47Å; F213-Y291 HydrophobicContact CE2-CD1 4.07Å; F213-Y291 AromaticContact CE2-CG 3.8Å; F213-Y291 HydrophobicContact CE2-CG 3.8Å; F213-Y291 VanDerWaalsContact CZ-CB 3.41Å; F213-Y291 AromaticContact CZ-CD1 3.77Å; F213-Y291 HydrophobicContact CZ-CD1 3.77Å; F213-Y291 AromaticContact CZ-CD2 3.65Å; F213-Y291 HydrophobicContact CZ-CD2 3.65Å; F213-Y291 HydrophobicContact CZ-CE1 4.46Å; F213-Y291 HydrophobicContact CZ-CE2 4.36Å; F213-Y291 AromaticContact CZ-CG 3.33Å; F213-Y291 HydrophobicContact CZ-CG 3.33Å; F213-L292 HydrophobicContact CB-CD1 4.16Å; F213-L292 HydrophobicContact CB-CD2 3.47Å; F213-L292 VanDerWaalsContact CB-CD2 3.47Å; F213-L292 HydrophobicContact CB-CG 3.66Å; F213-L292 HydrophobicContact CG-CD2 4.42Å; F213-L292 HydrophobicContact CG-CG 4.37Å
214	E	98.4	Very high	96.9	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-46	172.3	-69.6	-61.7	166.5	0	0	111.6	V210 A216 L217 V218 L292 Y296 R340	V210-E214 WeakPolarHBondContact O-CG 3.29Å; V210-E214 PolarHBondContact O-N 2.84Å; E214-A216 PolarHBondContact O-N 2.92Å; E214-L217 PolarHBondContact O-N 2.7Å; E214-V218 WeakPolarHBondContact O-CG2 3.44Å; E214-V218 PolarHBondContact O-N 3.36Å; E214-L292 HydrophobicContact CG-CD2 4.15Å; E214-Y296 VanDerWaalsContact CD-OH 3.26Å; E214-Y296 WeakPolarHBondContact CG-OH 3.48Å; E214-Y296 WeakPolarHBondContact OE1-CE2 3.47Å; E214-Y296 VanDerWaalsContact OE1-CZ 3.28Å; E214-Y296 PolarHBondContact OE1-OH 3.23Å; E214-R340 IonicContact OE1-CZ 3.23Å; E214-R340 IonicContact OE1-NH1 2.87Å; E214-R340 PolarHBondContact OE1-NH1 3.15Å; E214-R340 IonicContact OE1-NH2 3.1Å; E214-R340 PolarHBondContact OE1-NH2 3.33Å; E214-R340 IonicContact OE2-CZ 3.73Å; E214-R340 IonicContact OE2-NH1 2.83Å; E214-R340 PolarHBondContact OE2-NH1 2.82Å; E214-R340 IonicContact OE2-NH2 2.8Å
215	D	98.5	Very high	97.4	Very high	80 Å²	80	41.5 Å²	41.5	43%	0.428	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-38.4	174.4	-72.5	-21.8	0	0	0	111.4	S211 V218 E219	S211-D215 VanDerWaalsContact O-CG 3.32Å; S211-D215 PolarHBondContact O-N 3.33Å; S211-D215 VanDerWaalsContact O-N 3.09Å; D215-V218 PolarHBondContact O-N 2.6Å; D215-E219 PolarHBondContact O-N 3.21Å
216	A	97.5	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-42.8	176.2	0	0	0	0	0	112.4	F194 L212 F213 E214 E219 Y220	F194-A216 HydrophobicContact CB-CB 4.06Å; L212-A216 WeakPolarHBondContact O-CB 3.42Å; L212-A216 PolarHBondContact O-N 3.07Å; F213-A216 WeakPolarHBondContact O-CB 3.44Å; F213-A216 PolarHBondContact O-N 3.33Å; E214-A216 PolarHBondContact O-N 2.92Å; A216-E219 PolarHBondContact O-N 2.93Å; A216-Y220 VanDerWaalsContact O-CB 3.3Å; A216-Y220 WeakPolarHBondContact O-CB 2.95Å; A216-Y220 PolarHBondContact O-N 2.87Å
217	L	98.3	Very high	97.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-44.4	175.5	-81.1	176.2	0	0	0	112.1	F213 E214 E219 Y220 Y221 L285 H288 Y289 L292	F213-L217 PolarHBondContact O-N 3.2Å; E214-L217 PolarHBondContact O-N 2.7Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-E219 PolarHBondContact O-N 3.02Å; L217-Y220 WeakPolarHBondContact O-CB 3.1Å; L217-Y220 PolarHBondContact O-N 3.46Å; L217-Y221 HydrophobicContact CD2-CE2 4.35Å; L217-Y221 WeakPolarHBondContact O-CD2 3.14Å; L217-Y221 PolarHBondContact O-N 2.98Å; L217-L285 HydrophobicContact CD2-CD1 3.83Å; L217-H288 HydrophobicContact CD1-CB 4.29Å; L217-H288 HydrophobicContact CD2-CB 3.61Å; L217-H288 HydrophobicContact CG-CB 3.86Å; L217-Y289 HydrophobicContact CD1-CD1 4.12Å; L217-Y289 HydrophobicContact CD1-CE1 3.48Å; L217-Y289 VanDerWaalsContact CD1-CE1 3.48Å; L217-Y289 HydrophobicContact CD2-CE1 4.08Å; L217-Y289 HydrophobicContact CD2-CE2 4.34Å; L217-Y289 HydrophobicContact CG-CE1 4.46Å; L217-L292 HydrophobicContact CD1-CD1 3.42Å; L217-L292 VanDerWaalsContact CD1-CD1 3.42Å; L217-L292 HydrophobicContact CG-CD1 4.4Å
218	V	98.3	Very high	97.4	Very high	93 Å²	93	35.3 Å²	35.3	56%	0.564	19%	0.193	S	C	*	.	H	α-helix	trans	-59.3	-47.5	177.3	171.5	0	0	0	0	110.7	E214 D215 Y220 K222	E214-V218 WeakPolarHBondContact O-CG2 3.44Å; E214-V218 PolarHBondContact O-N 3.36Å; D215-V218 PolarHBondContact O-N 2.6Å; V218-Y220 VanDerWaalsContact C-N 3.33Å; V218-Y220 PolarHBondContact O-N 3.17Å; V218-K222 WeakPolarHBondContact O-CB 3.34Å; V218-K222 PolarHBondContact O-N 3.37Å
219	E	98.4	Very high	97.3	Very high	51 Å²	51	34.6 Å²	34.6	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-70.3	-28.7	178	-72	-64.3	144.9	0	0	112.5	P189 H190 D215 A216 L217 K222 A223	P189-E219 HydrophobicContact CB-CB 4.07Å; P189-E219 HydrophobicContact CB-CG 3.87Å; H190-E219 HydrophobicContact CB-CB 3.9Å; D215-E219 PolarHBondContact O-N 3.21Å; A216-E219 PolarHBondContact O-N 2.93Å; L217-E219 VanDerWaalsContact C-N 3.35Å; L217-E219 PolarHBondContact O-N 3.02Å; E219-K222 VanDerWaalsContact CD-NZ 3.32Å; E219-K222 IonicContact OE1-NZ 2.98Å; E219-K222 PolarHBondContact OE1-NZ 2.84Å; E219-K222 IonicContact OE2-NZ 3.5Å; E219-K222 PolarHBondContact OE2-NZ 3.27Å; E219-A223 VanDerWaalsContact O-CB 3.31Å; E219-A223 WeakPolarHBondContact O-CB 3.5Å; E219-A223 PolarHBondContact O-N 2.97Å
220	Y	98.1	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-52.3	174.9	176.6	-87.8	0	0	0	111.1	A216 L217 V218 K222 A223 D224 L271 Y284 L285 Y346	A216-Y220 VanDerWaalsContact O-CB 3.3Å; A216-Y220 WeakPolarHBondContact O-CB 2.95Å; A216-Y220 PolarHBondContact O-N 2.87Å; L217-Y220 WeakPolarHBondContact O-CB 3.1Å; L217-Y220 PolarHBondContact O-N 3.46Å; V218-Y220 VanDerWaalsContact C-N 3.33Å; V218-Y220 PolarHBondContact O-N 3.17Å; Y220-K222 VanDerWaalsContact C-N 3.26Å; Y220-K222 PolarHBondContact O-N 2.89Å; Y220-A223 CarbonylContact O-C 3.52Å; Y220-A223 WeakPolarHBondContact O-CA 3.11Å; Y220-A223 WeakPolarHBondContact O-CB 3.41Å; Y220-A223 PolarHBondContact O-N 3.38Å; Y220-D224 PolarHBondContact O-N 3.02Å; Y220-L271 HydrophobicContact CD2-CB 4.41Å; Y220-L271 HydrophobicContact CD2-CD1 4.38Å; Y220-L271 HydrophobicContact CE2-CB 3.81Å; Y220-L271 HydrophobicContact CE2-CD1 3.95Å; Y220-Y284 HydrophobicContact CD2-CD1 4.17Å; Y220-Y284 AromaticContact CD2-CE1 3.75Å; Y220-Y284 HydrophobicContact CD2-CE1 3.75Å; Y220-Y284 AromaticContact CE2-CD1 3.9Å; Y220-Y284 HydrophobicContact CE2-CD1 3.9Å; Y220-Y284 AromaticContact CE2-CE1 3.94Å; Y220-Y284 HydrophobicContact CE2-CE1 3.94Å; Y220-L285 HydrophobicContact CD1-CD1 3.71Å; Y220-L285 HydrophobicContact CE1-CB 4.24Å; Y220-L285 HydrophobicContact CE1-CD1 3.64Å; Y220-L285 HydrophobicContact CE1-CD2 3.7Å; Y220-L285 HydrophobicContact CE1-CG 4.06Å; Y220-L285 HydrophobicContact CE2-CB 4.4Å; Y220-L285 HydrophobicContact CG-CD1 4.32Å; Y220-Y346 HydrophobicContact CE1-CE2 4.42Å
221	Y	98.2	Very high	96.9	Very high	42 Å²	42	36.3 Å²	36.3	17%	0.165	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-34.1	-179.7	-75.3	-62.5	0	0	0	112.4	L217 D224 V225 Y289 E342 A343 Y346	L217-Y221 HydrophobicContact CD2-CE2 4.35Å; L217-Y221 WeakPolarHBondContact O-CD2 3.14Å; L217-Y221 PolarHBondContact O-N 2.98Å; Y221-D224 PolarHBondContact O-N 2.93Å; Y221-V225 WeakPolarHBondContact O-CG2 3.47Å; Y221-V225 PolarHBondContact O-N 3.45Å; Y221-V225 VanDerWaalsContact O-N 3.13Å; Y221-Y289 PolarHBondContact OH-OH 2.99Å; Y221-E342 HydrophobicContact CD2-CB 4.43Å; Y221-E342 HydrophobicContact CE1-CB 4.43Å; Y221-E342 HydrophobicContact CE2-CB 3.94Å; Y221-A343 WeakPolarHBondContact OH-CA 3.21Å; Y221-Y346 HydrophobicContact CE1-CD2 4.07Å; Y221-Y346 HydrophobicContact CE1-CG 4.33Å
222	K	97.8	Very high	96.2	Very high	94 Å²	94	35.7 Å²	35.7	41%	0.409	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-45.5	170.8	179.1	178.1	159.1	-148.2	0	111.4	V218 E219 Y220 D224 V225 E226	V218-K222 WeakPolarHBondContact O-CB 3.34Å; V218-K222 PolarHBondContact O-N 3.37Å; E219-K222 VanDerWaalsContact CD-NZ 3.32Å; E219-K222 IonicContact OE1-NZ 2.98Å; E219-K222 PolarHBondContact OE1-NZ 2.84Å; E219-K222 IonicContact OE2-NZ 3.5Å; E219-K222 PolarHBondContact OE2-NZ 3.27Å; Y220-K222 VanDerWaalsContact C-N 3.26Å; Y220-K222 PolarHBondContact O-N 2.89Å; K222-D224 VanDerWaalsContact C-N 3.34Å; K222-D224 PolarHBondContact O-N 3.1Å; K222-V225 PolarHBondContact O-N 3.07Å; K222-E226 WeakPolarHBondContact O-CG 3.15Å; K222-E226 PolarHBondContact O-N 2.75Å
223	A	97.5	Very high	95	Very high	19 Å²	19	34.2 Å²	34.2	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-35.6	177.5	0	0	0	0	0	112.7	E219 Y220 E226 C227 L271	E219-A223 VanDerWaalsContact O-CB 3.31Å; E219-A223 WeakPolarHBondContact O-CB 3.5Å; E219-A223 PolarHBondContact O-N 2.97Å; Y220-A223 CarbonylContact O-C 3.52Å; Y220-A223 WeakPolarHBondContact O-CA 3.11Å; Y220-A223 WeakPolarHBondContact O-CB 3.41Å; Y220-A223 PolarHBondContact O-N 3.38Å; A223-E226 PolarHBondContact O-N 3.43Å; A223-C227 VanDerWaalsContact O-CB 3.29Å; A223-C227 WeakPolarHBondContact O-CB 3.47Å; A223-C227 PolarHBondContact O-N 3.23Å; A223-L271 HydrophobicContact CB-CD1 4.34Å; A223-L271 HydrophobicContact CB-CD2 3.55Å
224	D	97.6	Very high	93.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-51.3	171.3	176.3	70.5	0	0	0	111.2	Y220 Y221 K222 E226 C227 R228 L271 R349	Y220-D224 PolarHBondContact O-N 3.02Å; Y221-D224 PolarHBondContact O-N 2.93Å; K222-D224 VanDerWaalsContact C-N 3.34Å; K222-D224 PolarHBondContact O-N 3.1Å; D224-E226 VanDerWaalsContact C-N 3.32Å; D224-E226 PolarHBondContact O-N 3.34Å; D224-C227 PolarHBondContact O-N 2.95Å; D224-R228 WeakPolarHBondContact O-CB 3.14Å; D224-R228 WeakPolarHBondContact O-CG 3.31Å; D224-R228 PolarHBondContact O-N 3.27Å; D224-L271 HydrophobicContact CB-CD1 3.9Å; D224-R349 IonicContact OD1-NH2 2.74Å; D224-R349 PolarHBondContact OD1-NH2 2.71Å; D224-R349 IonicContact OD2-CZ 3.28Å; D224-R349 VanDerWaalsContact OD2-CZ 3.3Å; D224-R349 IonicContact OD2-NH1 3.21Å; D224-R349 PolarHBondContact OD2-NH1 3.3Å; D224-R349 IonicContact OD2-NH2 2.66Å; D224-R349 PolarHBondContact OD2-NH2 2.61Å
225	V	97.1	Very high	91.7	Very high	66 Å²	66	40.7 Å²	40.7	40%	0.4	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-41.7	177.6	172	0	0	0	0	111.8	L73 Y221 K222 A229	L73-V225 HydrophobicContact CD1-CG1 3.95Å; L73-V225 HydrophobicContact CD2-CG1 3.57Å; L73-V225 HydrophobicContact CG-CG1 4.42Å; Y221-V225 WeakPolarHBondContact O-CG2 3.47Å; Y221-V225 PolarHBondContact O-N 3.45Å; Y221-V225 VanDerWaalsContact O-N 3.13Å; K222-V225 PolarHBondContact O-N 3.07Å; V225-A229 WeakPolarHBondContact O-CB 3.36Å; V225-A229 PolarHBondContact O-N 3.4Å
226	E	96.6	Very high	89.5	Confident	71 Å²	71	43.2 Å²	43.2	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-68.1	-42	177.9	-66	-167.6	172.9	0	0	112.9	V69 K222 A223 D224 A229 L230	V69-E226 HydrophobicContact CG1-CB 4.17Å; V69-E226 HydrophobicContact CG1-CG 3.82Å; V69-E226 HydrophobicContact CG2-CB 4.38Å; K222-E226 WeakPolarHBondContact O-CG 3.15Å; K222-E226 PolarHBondContact O-N 2.75Å; A223-E226 PolarHBondContact O-N 3.43Å; D224-E226 VanDerWaalsContact C-N 3.32Å; D224-E226 PolarHBondContact O-N 3.34Å; E226-A229 PolarHBondContact O-N 3.46Å; E226-L230 WeakPolarHBondContact O-CG 3.48Å; E226-L230 PolarHBondContact O-N 3.49Å; E226-L230 VanDerWaalsContact O-N 3.12Å
227	C	95.6	Very high	87.2	Confident	14 Å²	14	45.4 Å²	45.4	10%	0.095	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-50.5	176.4	175.2	0	0	0	0	110.5	A223 D224 A229 L230 C231 C267	A223-C227 VanDerWaalsContact O-CB 3.29Å; A223-C227 WeakPolarHBondContact O-CB 3.47Å; A223-C227 PolarHBondContact O-N 3.23Å; D224-C227 PolarHBondContact O-N 2.95Å; C227-A229 PolarHBondContact O-N 3.48Å; C227-L230 WeakPolarHBondContact O-CA 3.18Å; C227-L230 WeakPolarHBondContact O-CB 3.42Å; C227-L230 PolarHBondContact O-N 3.39Å; C227-C231 PolarHBondContact O-N 2.83Å; C227-C267 HydrophobicContact CB-CB 3.85Å; C227-C267 WeakPolarHBondContact CB-SG 3.31Å; C227-C267 VanDerWaalsContact SG-CA 3.54Å; C227-C267 WeakPolarHBondContact SG-CB 3.19Å; C227-C267 CovalentContact SG-SG 2.05Å; C227-C267 PolarHBondContact SG-SG 3.45Å
228	R	95.3	Very high	84.5	Confident	30 Å²	30	53.9 Å²	53.9	11%	0.113	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-40.9	179.8	-65.5	175.1	64.8	100.9	9.4	112.2	D224 L230 C231 E264 C267 R349 E353	D224-R228 WeakPolarHBondContact O-CB 3.14Å; D224-R228 WeakPolarHBondContact O-CG 3.31Å; D224-R228 PolarHBondContact O-N 3.27Å; R228-L230 PolarHBondContact O-N 3.04Å; R228-L230 VanDerWaalsContact O-N 3.17Å; R228-C231 WeakPolarHBondContact O-CB 3.19Å; R228-C231 PolarHBondContact O-N 3.42Å; R228-E264 HydrophobicContact CB-CG 4.11Å; R228-E264 HydrophobicContact CG-CB 4.19Å; R228-E264 HydrophobicContact CG-CG 4.31Å; R228-E264 IonicContact CZ-OE2 3.59Å; R228-E264 IonicContact NE-OE2 3.43Å; R228-E264 IonicContact NH2-OE2 2.87Å; R228-E264 PolarHBondContact NH2-OE2 2.79Å; R228-C267 HydrophobicContact CG-CB 4.28Å; R228-C267 PolarHBondContact N-SG 2.98Å; R228-R349 VanDerWaalsContact NH1-CZ 3.27Å; R228-R349 VanDerWaalsContact NH1-NE 3.15Å; R228-E353 IonicContact CZ-OE1 2.77Å; R228-E353 IonicContact CZ-OE2 2.75Å; R228-E353 VanDerWaalsContact NH1-CD 3.26Å; R228-E353 IonicContact NH1-OE1 3.4Å; R228-E353 PolarHBondContact NH1-OE1 3.46Å; R228-E353 IonicContact NH1-OE2 2.96Å; R228-E353 PolarHBondContact NH1-OE2 2.99Å; R228-E353 IonicContact NH2-OE1 3.2Å; R228-E353 PolarHBondContact NH2-OE1 3.42Å
229	A	95.1	Very high	81.9	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-31.7	172.1	0	0	0	0	0	111.5	V69 R72 L73 V225 E226 C227 C231	V69-A229 HydrophobicContact CG1-CB 4.48Å; R72-A229 HydrophobicContact CB-CB 4.43Å; R72-A229 WeakPolarHBondContact CD-O 3.38Å; R72-A229 PolarHBondContact NH1-O 2.91Å; L73-A229 HydrophobicContact CD2-CB 3.92Å; L73-A229 HydrophobicContact CG-CB 4.11Å; V225-A229 WeakPolarHBondContact O-CB 3.36Å; V225-A229 PolarHBondContact O-N 3.4Å; E226-A229 PolarHBondContact O-N 3.46Å; C227-A229 PolarHBondContact O-N 3.48Å; A229-C231 VanDerWaalsContact C-N 3.34Å
230	L	92.1	Very high	79.5	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-74.5	-20.8	178.3	-72.1	163.8	0	0	0	114.1	R65 R68 V69 R72 E226 C227 R228 Q232	R65-L230 HydrophobicContact CG-CD1 3.72Å; R65-L230 HydrophobicContact CG-CD2 4.12Å; R65-L230 VanDerWaalsContact NH1-CD1 3.3Å; R65-L230 VanDerWaalsContact NH2-CD1 3.33Å; R68-L230 HydrophobicContact CB-CD2 4.24Å; V69-L230 HydrophobicContact CG2-CD1 3.87Å; V69-L230 HydrophobicContact CG2-CD2 3.82Å; V69-L230 HydrophobicContact CG2-CG 3.63Å; R72-L230 PolarHBondContact NH1-O 3.5Å; E226-L230 WeakPolarHBondContact O-CG 3.48Å; E226-L230 PolarHBondContact O-N 3.49Å; E226-L230 VanDerWaalsContact O-N 3.12Å; C227-L230 WeakPolarHBondContact O-CA 3.18Å; C227-L230 WeakPolarHBondContact O-CB 3.42Å; C227-L230 PolarHBondContact O-N 3.39Å; R228-L230 PolarHBondContact O-N 3.04Å; R228-L230 VanDerWaalsContact O-N 3.17Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.02Å
231	C	91.2	Very high	76.9	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	33%	0.334	C	S	.	.	H	α-helix	trans	-71.6	-13.8	177.4	-67.3	0	0	0	0	115.1	C227 R228 A229 G233 Q235 V260 C263 E264	C227-C231 PolarHBondContact O-N 2.83Å; R228-C231 WeakPolarHBondContact O-CB 3.19Å; R228-C231 PolarHBondContact O-N 3.42Å; A229-C231 VanDerWaalsContact C-N 3.34Å; C231-G233 PolarHBondContact O-N 2.95Å; C231-Q235 PolarHBondContact O-NE2 3.03Å; C231-V260 HydrophobicContact CB-CG1 4.48Å; C231-C263 VanDerWaalsContact CA-SG 3.5Å; C231-C263 HydrophobicContact CB-CB 3.61Å; C231-C263 WeakPolarHBondContact CB-SG 3.19Å; C231-C263 WeakPolarHBondContact SG-CB 3.09Å; C231-C263 PolarHBondContact SG-O 2.9Å; C231-C263 CovalentContact SG-SG 2.05Å; C231-C263 PolarHBondContact SG-SG 3.06Å; C231-E264 HydrophobicContact CB-CG 3.61Å; C231-E264 PolarHBondContact SG-N 3.27Å; C231-E264 VanDerWaalsContact SG-N 3.42Å
232	Q	82.3	Confident	74.6	Confident	53 Å²	53	63.1 Å²	63.1	25%	0.248	34%	0.338	C	S	.	.	S	Bend	trans	-77.4	31.8	-179.4	-57.2	175.5	-2.2	0	0	113.7	R72 L230	R72-Q232 VanDerWaalsContact NH2-C 3.26Å; R72-Q232 PolarHBondContact NH2-O 3.39Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.02Å
233	G	72.4	Confident	72	Confident	13 Å²	13	64.7 Å²	64.7	13%	0.134	36%	0.355	C	S	.	.	S	Bend	trans	-112.8	-179.7	179.4	0	0	0	0	0	112.9	C231 Q235	C231-G233 PolarHBondContact O-N 2.95Å; G233-Q235 PolarHBondContact O-N 2.93Å; G233-Q235 VanDerWaalsContact O-N 3.11Å
234	P	64.4	Low	69.8	Low	128 Å²	128	72 Å²	72	83%	0.831	38%	0.379	S	S	*	.			trans	-59.2	118	167.9	24.6	-30.6	0	0	0	108.8
235	Q	62.7	Low	67.6	Low	46 Å²	46	79.8 Å²	79.8	22%	0.215	41%	0.409	C	S	.	.			trans	-89.7	144.7	177.7	-65.5	-60.8	-32.3	0	0	109.9	C231 G233 F237 Q259 V260	C231-Q235 PolarHBondContact O-NE2 3.03Å; G233-Q235 PolarHBondContact O-N 2.93Å; G233-Q235 VanDerWaalsContact O-N 3.11Å; Q235-F237 HydrophobicContact CB-CD2 4.29Å; Q235-F237 HydrophobicContact CB-CE2 3.76Å; Q235-F237 HydrophobicContact CG-CE2 4.46Å; Q235-Q259 HydrophobicContact CB-CB 4.04Å; Q235-Q259 HydrophobicContact CG-CB 4.28Å; Q235-V260 HydrophobicContact CG-CG2 4.21Å
236	K	52.2	Low	66.1	Low	134 Å²	134	79.5 Å²	79.5	58%	0.583	40%	0.401	S	S	*	.			trans	-127.6	121.8	170.3	-69.5	-179.2	179.6	171.4	0	107	D119	D119-K236 IonicContact OD1-NZ 2.81Å; D119-K236 PolarHBondContact OD1-NZ 3.15Å; D119-K236 IonicContact OD2-NZ 2.65Å; D119-K236 PolarHBondContact OD2-NZ 2.84Å
237	F	50.7	Low	64.5	Low	46 Å²	46	85 Å²	85	20%	0.202	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-97.4	128	177.9	-78.3	-103.7	0	0	0	108.7	Q235 G239 H240 Y242 Q259 H262	Q235-F237 HydrophobicContact CB-CD2 4.29Å; Q235-F237 HydrophobicContact CB-CE2 3.76Å; Q235-F237 HydrophobicContact CG-CE2 4.46Å; F237-G239 PolarHBondContact O-N 2.77Å; F237-H240 HydrophobicContact CB-CB 4.33Å; F237-H240 PolarHBondContact O-N 3.2Å; F237-Y242 HydrophobicContact CB-CE2 4.28Å; F237-Y242 HydrophobicContact CG-CE2 4.41Å; F237-Q259 HydrophobicContact CD2-CB 4.18Å; F237-Q259 HydrophobicContact CD2-CG 3.65Å; F237-Q259 VanDerWaalsContact CE2-CA 3.48Å; F237-Q259 HydrophobicContact CE2-CB 3.32Å; F237-Q259 HydrophobicContact CE2-CG 3.27Å; F237-Q259 VanDerWaalsContact CZ-CA 3.44Å; F237-Q259 HydrophobicContact CZ-CB 3.87Å; F237-Q259 HydrophobicContact CZ-CG 3.97Å; F237-Q259 VanDerWaalsContact CZ-O 3.29Å; F237-Q259 WeakPolarHBondContact CZ-O 3.17Å; F237-H262 HydrophobicContact CE1-CB 3.96Å; F237-H262 AromaticContact CE1-CD2 3.23Å; F237-H262 WeakPolarHBondContact CE1-CD2 3.27Å; F237-H262 AromaticContact CE1-CG 3.71Å; F237-H262 AromaticContact CE1-NE2 3.98Å; F237-H262 HydrophobicContact CZ-CB 3.91Å; F237-H262 AromaticContact CZ-CD2 3.75Å
238	E	41.4	Very low	63.9	Low	182 Å²	182	86.8 Å²	86.8	85%	0.85	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	130.4	173.1	-73.2	-168.3	152.1	0	0	109.9	H240	E238-H240 VanDerWaalsContact C-N 3.29Å; E238-H240 PolarHBondContact O-N 2.96Å
239	G	43.6	Very low	63.2	Low	78 Å²	78	90.7 Å²	90.7	80%	0.804	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-6.7	179.2	0	0	0	0	0	116	F237	F237-G239 PolarHBondContact O-N 2.77Å
240	H	48.3	Very low	62.7	Low	85 Å²	85	97.4 Å²	97.4	39%	0.394	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-134.7	80.6	-179.8	-60.7	-65.8	0	0	0	111.5	F237 E238 Y242	F237-H240 HydrophobicContact CB-CB 4.33Å; F237-H240 PolarHBondContact O-N 3.2Å; E238-H240 VanDerWaalsContact C-N 3.29Å; E238-H240 PolarHBondContact O-N 2.96Å; H240-Y242 HydrophobicContact CB-CD1 4.49Å; H240-Y242 HydrophobicContact CB-CD2 3.94Å; H240-Y242 HydrophobicContact CB-CE1 4.12Å; H240-Y242 HydrophobicContact CB-CE2 3.52Å; H240-Y242 HydrophobicContact CB-CG 4.42Å; H240-Y242 AromaticContact CG-CZ 4Å; H240-Y242 WeakPolarHBondContact O-CD2 3.37Å; H240-Y242 PolarHBondContact O-N 3.5Å
241	D	42.7	Very low	62.1	Low	155 Å²	155	99.2 Å²	99.2	83%	0.829	49%	0.493	S	S	*	.			trans	-64.9	92.2	153.1	-93.2	-22.5	0	0	0	106.3	V243	D241-V243 HydrophobicContact CB-CG2 4.34Å; D241-V243 PolarHBondContact O-N 3.23Å
242	Y	49.4	Very low	61.6	Low	63 Å²	63	103 Å²	103	25%	0.247	52%	0.516	C	S	.	.			trans	-67.8	78.1	176.2	-69	-77.9	0	0	0	110	F237 H240 V366	F237-Y242 HydrophobicContact CB-CE2 4.28Å; F237-Y242 HydrophobicContact CG-CE2 4.41Å; H240-Y242 HydrophobicContact CB-CD1 4.49Å; H240-Y242 HydrophobicContact CB-CD2 3.94Å; H240-Y242 HydrophobicContact CB-CE1 4.12Å; H240-Y242 HydrophobicContact CB-CE2 3.52Å; H240-Y242 HydrophobicContact CB-CG 4.42Å; H240-Y242 AromaticContact CG-CZ 4Å; H240-Y242 WeakPolarHBondContact O-CD2 3.37Å; H240-Y242 PolarHBondContact O-N 3.5Å; Y242-V366 HydrophobicContact CE1-CG2 4.12Å
243	V	43.4	Very low	61.6	Low	127 Å²	127	103.7 Å²	103.7	77%	0.77	52%	0.52	S	S	*	.			trans	-108.1	30.5	162.7	-152.9	0	0	0	0	109.3	D241 Y245	D241-V243 HydrophobicContact CB-CG2 4.34Å; D241-V243 PolarHBondContact O-N 3.23Å; V243-Y245 VanDerWaalsContact C-N 3.31Å; V243-Y245 PolarHBondContact O-N 3.33Å
244	R	51.7	Low	62.1	Low	173 Å²	173	105.1 Å²	105.1	65%	0.653	53%	0.528	S	S	*	.	S	Bend	trans	-66.6	104.5	151.9	-89.8	-171.7	175.8	172.6	1.7	105.3	R246	R244-R246 WeakPolarHBondContact O-CG 3.49Å; R244-R246 PolarHBondContact O-N 3.38Å
245	Y	52.8	Low	62.8	Low	168 Å²	168	99.7 Å²	99.7	66%	0.659	49%	0.492	S	S	*	.			trans	-46.9	104.9	173.7	-170.9	-76.9	0	0	0	108.8	V243 Y247	V243-Y245 VanDerWaalsContact C-N 3.31Å; V243-Y245 PolarHBondContact O-N 3.33Å; Y245-Y247 AromaticContact CD1-CD1 3.45Å; Y245-Y247 HydrophobicContact CD1-CD1 3.45Å; Y245-Y247 VanDerWaalsContact CD1-CD1 3.45Å; Y245-Y247 AromaticContact CD1-CD2 3.77Å; Y245-Y247 HydrophobicContact CD1-CD2 3.77Å; Y245-Y247 AromaticContact CD1-CE1 3.21Å; Y245-Y247 HydrophobicContact CD1-CE1 3.21Å; Y245-Y247 AromaticContact CD1-CE2 3.57Å; Y245-Y247 HydrophobicContact CD1-CE2 3.57Å; Y245-Y247 AromaticContact CD1-CG 3.69Å; Y245-Y247 HydrophobicContact CD1-CG 3.69Å; Y245-Y247 AromaticContact CD1-CZ 3.25Å; Y245-Y247 AromaticContact CE1-CD1 3.17Å; Y245-Y247 HydrophobicContact CE1-CD1 3.17Å; Y245-Y247 HydrophobicContact CE1-CD2 4.31Å; Y245-Y247 AromaticContact CE1-CE1 3.18Å; Y245-Y247 HydrophobicContact CE1-CE1 3.18Å; Y245-Y247 HydrophobicContact CE1-CE2 4.33Å; Y245-Y247 AromaticContact CE1-CG 3.74Å; Y245-Y247 HydrophobicContact CE1-CG 3.74Å; Y245-Y247 AromaticContact CE1-CZ 3.79Å; Y245-Y247 HydrophobicContact CG-CE1 4.31Å; Y245-Y247 HydrophobicContact CG-CE2 4.44Å; Y245-Y247 VanDerWaalsContact O-CD2 3.28Å; Y245-Y247 WeakPolarHBondContact O-CD2 3.42Å; Y245-Y247 WeakPolarHBondContact O-CE2 3.28Å
246	R	65.3	Low	63.8	Low	60 Å²	60	101.8 Å²	101.8	23%	0.226	50%	0.501	C	S	.	.			trans	-88.1	123.4	175.6	-59.6	-57.6	-167.8	167.4	2.2	107	R244 E251 V252 D255	R244-R246 WeakPolarHBondContact O-CG 3.49Å; R244-R246 PolarHBondContact O-N 3.38Å; R246-E251 HydrophobicContact CB-CB 3.9Å; R246-E251 HydrophobicContact CG-CB 4.28Å; R246-V252 HydrophobicContact CB-CG2 3.85Å; R246-D255 IonicContact CZ-OD1 2.6Å; R246-D255 IonicContact NE-OD1 3.1Å; R246-D255 PolarHBondContact NE-OD1 2.91Å; R246-D255 IonicContact NH2-OD1 2.92Å; R246-D255 PolarHBondContact NH2-OD1 3.48Å
247	Y	62.8	Low	65.4	Low	187 Å²	187	100.9 Å²	100.9	73%	0.733	50%	0.498	S	S	*	.			trans	-90.1	-25.6	-168.3	-64.5	-98.9	0	0	0	112.1	Y245 E251	Y245-Y247 AromaticContact CD1-CD1 3.45Å; Y245-Y247 HydrophobicContact CD1-CD1 3.45Å; Y245-Y247 VanDerWaalsContact CD1-CD1 3.45Å; Y245-Y247 AromaticContact CD1-CD2 3.77Å; Y245-Y247 HydrophobicContact CD1-CD2 3.77Å; Y245-Y247 AromaticContact CD1-CE1 3.21Å; Y245-Y247 HydrophobicContact CD1-CE1 3.21Å; Y245-Y247 AromaticContact CD1-CE2 3.57Å; Y245-Y247 HydrophobicContact CD1-CE2 3.57Å; Y245-Y247 AromaticContact CD1-CG 3.69Å; Y245-Y247 HydrophobicContact CD1-CG 3.69Å; Y245-Y247 AromaticContact CD1-CZ 3.25Å; Y245-Y247 AromaticContact CE1-CD1 3.17Å; Y245-Y247 HydrophobicContact CE1-CD1 3.17Å; Y245-Y247 HydrophobicContact CE1-CD2 4.31Å; Y245-Y247 AromaticContact CE1-CE1 3.18Å; Y245-Y247 HydrophobicContact CE1-CE1 3.18Å; Y245-Y247 HydrophobicContact CE1-CE2 4.33Å; Y245-Y247 AromaticContact CE1-CG 3.74Å; Y245-Y247 HydrophobicContact CE1-CG 3.74Å; Y245-Y247 AromaticContact CE1-CZ 3.79Å; Y245-Y247 HydrophobicContact CG-CE1 4.31Å; Y245-Y247 HydrophobicContact CG-CE2 4.44Å; Y245-Y247 VanDerWaalsContact O-CD2 3.28Å; Y245-Y247 WeakPolarHBondContact O-CD2 3.42Å; Y245-Y247 WeakPolarHBondContact O-CE2 3.28Å; Y247-E251 PolarHBondContact N-OE2 3.17Å
248	S	82.2	Confident	67	Low	50 Å²	50	99.4 Å²	99.4	35%	0.35	49%	0.493	S	S	.	.	S	Bend	trans	-110.7	152.7	-175	73.6	0	0	0	0	113.4	H250 E251 V252	S248-H250 VanDerWaalsContact C-N 3.28Å; S248-H250 PolarHBondContact O-N 2.67Å; S248-E251 PolarHBondContact N-OE2 3.06Å; S248-E251 PolarHBondContact O-N 2.84Å; S248-E251 VanDerWaalsContact OG-CD 3.26Å; S248-E251 WeakPolarHBondContact OG-CG 3.34Å; S248-E251 PolarHBondContact OG-N 3.05Å; S248-E251 PolarHBondContact OG-OE2 3.41Å; S248-V252 PolarHBondContact O-N 3.28Å
249	L	82	Confident	68.8	Low	112 Å²	112	91.8 Å²	91.8	59%	0.586	46%	0.457	S	S	*	.	H	α-helix	trans	-53.9	-43.6	176.6	175.9	63.7	0	0	0	112.5	V252 M253	L249-V252 PolarHBondContact O-N 3.1Å; L249-M253 HydrophobicContact CD1-CG 4.17Å; L249-M253 HydrophobicContact CD1-SD 3.98Å; L249-M253 HydrophobicContact CD2-SD 4.4Å; L249-M253 HydrophobicContact CG-CG 4.44Å; L249-M253 HydrophobicContact CG-SD 3.87Å; L249-M253 WeakPolarHBondContact O-CB 3.33Å; L249-M253 WeakPolarHBondContact O-CG 3.49Å; L249-M253 PolarHBondContact O-N 2.95Å
250	H	84.3	Confident	70.9	Confident	145 Å²	145	89 Å²	89	67%	0.671	42%	0.424	S	S	*	.	H	α-helix	trans	-69.6	-35.2	-176.5	-64.9	90	0	0	0	112.3	S248 S254	S248-H250 VanDerWaalsContact C-N 3.28Å; S248-H250 PolarHBondContact O-N 2.67Å; H250-S254 WeakPolarHBondContact O-CB 3.38Å; H250-S254 PolarHBondContact O-N 3.05Å
251	E	79.7	Confident	72.9	Confident	78 Å²	78	85.4 Å²	85.4	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-43.3	173.6	-71.7	167.5	137.4	0	0	111.1	R246 Y247 S248 S254 D255	R246-E251 HydrophobicContact CB-CB 3.9Å; R246-E251 HydrophobicContact CG-CB 4.28Å; Y247-E251 PolarHBondContact N-OE2 3.17Å; S248-E251 PolarHBondContact N-OE2 3.06Å; S248-E251 PolarHBondContact O-N 2.84Å; S248-E251 VanDerWaalsContact OG-CD 3.26Å; S248-E251 WeakPolarHBondContact OG-CG 3.34Å; S248-E251 PolarHBondContact OG-N 3.05Å; S248-E251 PolarHBondContact OG-OE2 3.41Å; E251-S254 PolarHBondContact O-N 3.3Å; E251-D255 WeakPolarHBondContact O-CB 3.44Å; E251-D255 PolarHBondContact O-N 3.48Å
252	V	80.1	Confident	75	Confident	80 Å²	80	80.3 Å²	80.3	49%	0.485	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-44.3	177.5	175.8	0	0	0	0	111.4	R246 S248 L249 H256	R246-V252 HydrophobicContact CB-CG2 3.85Å; S248-V252 PolarHBondContact O-N 3.28Å; L249-V252 PolarHBondContact O-N 3.1Å; V252-H256 PolarHBondContact O-N 3.12Å; V252-H256 VanDerWaalsContact O-N 3.08Å
253	M	82.9	Confident	76.8	Confident	68 Å²	68	78.9 Å²	78.9	34%	0.335	38%	0.378	S	S	.	.	H	α-helix	trans	-64	-45.6	176.9	-73	177.9	62.9	0	0	111.7	F90 F91 L249 F257	F90-M253 HydrophobicContact CE1-CE 4.49Å; F91-M253 HydrophobicContact CE1-CE 3.66Å; F91-M253 HydrophobicContact CE1-SD 4.03Å; F91-M253 HydrophobicContact CZ-CE 3.77Å; F91-M253 HydrophobicContact CZ-SD 4.06Å; L249-M253 HydrophobicContact CD1-CG 4.17Å; L249-M253 HydrophobicContact CD1-SD 3.98Å; L249-M253 HydrophobicContact CD2-SD 4.4Å; L249-M253 HydrophobicContact CG-CG 4.44Å; L249-M253 HydrophobicContact CG-SD 3.87Å; L249-M253 WeakPolarHBondContact O-CB 3.33Å; L249-M253 WeakPolarHBondContact O-CG 3.49Å; L249-M253 PolarHBondContact O-N 2.95Å; M253-F257 WeakPolarHBondContact O-CB 3.45Å; M253-F257 PolarHBondContact O-N 2.97Å
254	S	82.9	Confident	79.2	Confident	42 Å²	42	74.3 Å²	74.3	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-43.4	179.2	-173.7	0	0	0	0	111.5	H250 E251 T258	H250-S254 WeakPolarHBondContact O-CB 3.38Å; H250-S254 PolarHBondContact O-N 3.05Å; E251-S254 PolarHBondContact O-N 3.3Å; S254-T258 WeakPolarHBondContact O-CB 3.41Å; S254-T258 PolarHBondContact O-N 3.46Å; S254-T258 PolarHBondContact O-OG1 3.47Å
255	D	79.1	Confident	81.1	Confident	14 Å²	14	66.1 Å²	66.1	8%	0.075	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-54.4	179.5	-167.6	99.5	0	0	0	110.2	R246 E251 F257 T258 Q259 M364	R246-D255 IonicContact CZ-OD1 2.6Å; R246-D255 IonicContact NE-OD1 3.1Å; R246-D255 PolarHBondContact NE-OD1 2.91Å; R246-D255 IonicContact NH2-OD1 2.92Å; R246-D255 PolarHBondContact NH2-OD1 3.48Å; E251-D255 WeakPolarHBondContact O-CB 3.44Å; E251-D255 PolarHBondContact O-N 3.48Å; D255-F257 PolarHBondContact O-N 3.21Å; D255-T258 PolarHBondContact O-N 2.91Å; D255-Q259 VanDerWaalsContact O-CG 3.26Å; D255-Q259 WeakPolarHBondContact O-CG 3.36Å; D255-Q259 PolarHBondContact O-N 3.29Å; D255-Q259 PolarHBondContact OD2-NE2 3.31Å; D255-M364 HydrophobicContact CB-SD 4.16Å
256	H	82.1	Confident	82.8	Confident	90 Å²	90	59.1 Å²	59.1	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-36.3	179.4	-170.3	60	0	0	0	113.4	V252 Q259 V260	V252-H256 PolarHBondContact O-N 3.12Å; V252-H256 VanDerWaalsContact O-N 3.08Å; H256-Q259 WeakPolarHBondContact O-CB 3.45Å; H256-Q259 PolarHBondContact O-N 2.68Å; H256-V260 WeakPolarHBondContact O-CG2 3.4Å; H256-V260 PolarHBondContact O-N 2.94Å
257	F	85.5	Confident	84.1	Confident	116 Å²	116	56.3 Å²	56.3	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-45	176.9	-178.2	-98.9	0	0	0	111.5	M253 D255 Q259 V260 L261 L356	M253-F257 WeakPolarHBondContact O-CB 3.45Å; M253-F257 PolarHBondContact O-N 2.97Å; D255-F257 PolarHBondContact O-N 3.21Å; F257-Q259 PolarHBondContact O-N 3Å; F257-V260 PolarHBondContact O-N 2.92Å; F257-L261 HydrophobicContact CE1-CD2 4.09Å; F257-L261 VanDerWaalsContact O-CB 3.24Å; F257-L261 WeakPolarHBondContact O-CB 3.4Å; F257-L261 PolarHBondContact O-N 3.21Å; F257-L356 HydrophobicContact CE1-CD1 4.49Å
258	T	84.2	Confident	85.5	Confident	15 Å²	15	47.7 Å²	47.7	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-37.2	177.4	-50.8	0	0	0	0	110.9	S254 D255 L261 H262 L357 M364	S254-T258 WeakPolarHBondContact O-CB 3.41Å; S254-T258 PolarHBondContact O-N 3.46Å; S254-T258 PolarHBondContact O-OG1 3.47Å; D255-T258 PolarHBondContact O-N 2.91Å; T258-L261 PolarHBondContact O-N 3.46Å; T258-H262 WeakPolarHBondContact O-CB 3.43Å; T258-H262 PolarHBondContact O-N 3.35Å; T258-L357 HydrophobicContact CG2-CD2 3.85Å; T258-M364 HydrophobicContact CG2-CE 3.46Å; T258-M364 VanDerWaalsContact CG2-CE 3.46Å
259	Q	79.8	Confident	85.6	Confident	22 Å²	22	50.9 Å²	50.9	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-48.5	174.9	-77.1	-173.4	42.9	0	0	113	Q235 F237 D255 H256 F257 H262 C263	Q235-Q259 HydrophobicContact CB-CB 4.04Å; Q235-Q259 HydrophobicContact CG-CB 4.28Å; F237-Q259 HydrophobicContact CD2-CB 4.18Å; F237-Q259 HydrophobicContact CD2-CG 3.65Å; F237-Q259 VanDerWaalsContact CE2-CA 3.48Å; F237-Q259 HydrophobicContact CE2-CB 3.32Å; F237-Q259 HydrophobicContact CE2-CG 3.27Å; F237-Q259 VanDerWaalsContact CZ-CA 3.44Å; F237-Q259 HydrophobicContact CZ-CB 3.87Å; F237-Q259 HydrophobicContact CZ-CG 3.97Å; F237-Q259 VanDerWaalsContact CZ-O 3.29Å; F237-Q259 WeakPolarHBondContact CZ-O 3.17Å; D255-Q259 VanDerWaalsContact O-CG 3.26Å; D255-Q259 WeakPolarHBondContact O-CG 3.36Å; D255-Q259 PolarHBondContact O-N 3.29Å; D255-Q259 PolarHBondContact OD2-NE2 3.31Å; H256-Q259 WeakPolarHBondContact O-CB 3.45Å; H256-Q259 PolarHBondContact O-N 2.68Å; F257-Q259 PolarHBondContact O-N 3Å; Q259-H262 PolarHBondContact O-N 2.87Å; Q259-C263 PolarHBondContact O-N 2.52Å
260	V	87.8	Confident	85.7	Confident	19 Å²	19	48.5 Å²	48.5	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-44.1	176.2	172.7	0	0	0	0	110.6	C231 Q235 H256 F257 H262 C263 E264	C231-V260 HydrophobicContact CB-CG1 4.48Å; Q235-V260 HydrophobicContact CG-CG2 4.21Å; H256-V260 WeakPolarHBondContact O-CG2 3.4Å; H256-V260 PolarHBondContact O-N 2.94Å; F257-V260 PolarHBondContact O-N 2.92Å; V260-H262 VanDerWaalsContact C-N 3.33Å; V260-H262 PolarHBondContact O-N 2.91Å; V260-C263 WeakPolarHBondContact O-CB 3.39Å; V260-C263 PolarHBondContact O-N 3.17Å; V260-E264 HydrophobicContact CG1-CG 4.43Å; V260-E264 WeakPolarHBondContact O-CG 3.38Å; V260-E264 PolarHBondContact O-N 3.33Å
261	L	89.8	Confident	86.1	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-42.6	179.5	-172.7	65.7	0	0	0	112	F257 T258 E264 H265 E353 L356 L357	F257-L261 HydrophobicContact CE1-CD2 4.09Å; F257-L261 VanDerWaalsContact O-CB 3.24Å; F257-L261 WeakPolarHBondContact O-CB 3.4Å; F257-L261 PolarHBondContact O-N 3.21Å; T258-L261 PolarHBondContact O-N 3.46Å; L261-E264 PolarHBondContact O-N 3.03Å; L261-H265 WeakPolarHBondContact O-CB 3.44Å; L261-H265 PolarHBondContact O-N 3.35Å; L261-E353 HydrophobicContact CD1-CB 4.05Å; L261-E353 HydrophobicContact CD1-CG 3.73Å; L261-L356 HydrophobicContact CD2-CB 3.57Å; L261-L356 HydrophobicContact CD2-CD1 4.4Å; L261-L357 HydrophobicContact CB-CD2 4.11Å; L261-L357 HydrophobicContact CD2-CD2 3.92Å; L261-L357 HydrophobicContact CD2-CG 3.8Å; L261-L357 HydrophobicContact CG-CD2 3.96Å; L261-L357 HydrophobicContact CG-CG 3.97Å
262	H	86.6	Confident	86.3	Confident	48 Å²	48	38.5 Å²	38.5	22%	0.222	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-44.3	177.7	176.8	82	0	0	0	111.2	F237 T258 Q259 V260 E264 H265 E266 L357 F368	F237-H262 HydrophobicContact CE1-CB 3.96Å; F237-H262 AromaticContact CE1-CD2 3.23Å; F237-H262 WeakPolarHBondContact CE1-CD2 3.27Å; F237-H262 AromaticContact CE1-CG 3.71Å; F237-H262 AromaticContact CE1-NE2 3.98Å; F237-H262 HydrophobicContact CZ-CB 3.91Å; F237-H262 AromaticContact CZ-CD2 3.75Å; T258-H262 WeakPolarHBondContact O-CB 3.43Å; T258-H262 PolarHBondContact O-N 3.35Å; Q259-H262 PolarHBondContact O-N 2.87Å; V260-H262 VanDerWaalsContact C-N 3.33Å; V260-H262 PolarHBondContact O-N 2.91Å; H262-E264 VanDerWaalsContact C-N 3.3Å; H262-E264 PolarHBondContact O-N 3.25Å; H262-H265 PolarHBondContact O-N 2.8Å; H262-E266 WeakPolarHBondContact O-CB 3.41Å; H262-E266 WeakPolarHBondContact O-CG 3.49Å; H262-E266 PolarHBondContact O-N 3.34Å; H262-L357 HydrophobicContact CB-CD2 3.82Å; H262-F368 AromaticContact CE1-CE2 3.62Å; H262-F368 AromaticContact ND1-CD2 3.81Å; H262-F368 AromaticContact ND1-CE2 3.33Å; H262-F368 VanDerWaalsContact ND1-CE2 3.33Å; H262-F368 WeakPolarHBondContact ND1-CE2 3.22Å
263	C	88.3	Confident	86.1	Confident	33 Å²	33	35.6 Å²	35.6	22%	0.223	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-43.3	173.6	176.6	0	0	0	0	111.8	C231 Q259 V260 E266 C267	C231-C263 VanDerWaalsContact CA-SG 3.5Å; C231-C263 HydrophobicContact CB-CB 3.61Å; C231-C263 WeakPolarHBondContact CB-SG 3.19Å; C231-C263 WeakPolarHBondContact SG-CB 3.09Å; C231-C263 PolarHBondContact SG-O 2.9Å; C231-C263 CovalentContact SG-SG 2.05Å; C231-C263 PolarHBondContact SG-SG 3.06Å; Q259-C263 PolarHBondContact O-N 2.52Å; V260-C263 WeakPolarHBondContact O-CB 3.39Å; V260-C263 PolarHBondContact O-N 3.17Å; C263-E266 PolarHBondContact O-N 3.12Å; C263-C267 PolarHBondContact O-N 2.72Å
264	E	93.6	Very high	85.7	Confident	30 Å²	30	38.5 Å²	38.5	14%	0.14	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-39.2	178.8	-69.7	-174.5	178.6	0	0	112.5	R228 C231 V260 L261 H262 E266 C267	R228-E264 HydrophobicContact CB-CG 4.11Å; R228-E264 HydrophobicContact CG-CB 4.19Å; R228-E264 HydrophobicContact CG-CG 4.31Å; R228-E264 IonicContact CZ-OE2 3.59Å; R228-E264 IonicContact NE-OE2 3.43Å; R228-E264 IonicContact NH2-OE2 2.87Å; R228-E264 PolarHBondContact NH2-OE2 2.79Å; C231-E264 HydrophobicContact CB-CG 3.61Å; C231-E264 PolarHBondContact SG-N 3.27Å; C231-E264 VanDerWaalsContact SG-N 3.42Å; V260-E264 HydrophobicContact CG1-CG 4.43Å; V260-E264 WeakPolarHBondContact O-CG 3.38Å; V260-E264 PolarHBondContact O-N 3.33Å; L261-E264 PolarHBondContact O-N 3.03Å; H262-E264 VanDerWaalsContact C-N 3.3Å; H262-E264 PolarHBondContact O-N 3.25Å; E264-E266 VanDerWaalsContact C-N 3.32Å; E264-C267 WeakPolarHBondContact O-CB 3.4Å; E264-C267 PolarHBondContact O-N 2.63Å
265	H	91.9	Very high	84.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-38.8	176.2	-163.6	75.6	0	0	0	111.4	L261 H262 C267 V268 H350 E353 L357 E370	L261-H265 WeakPolarHBondContact O-CB 3.44Å; L261-H265 PolarHBondContact O-N 3.35Å; H262-H265 PolarHBondContact O-N 2.8Å; H265-C267 PolarHBondContact O-N 2.95Å; H265-V268 WeakPolarHBondContact O-CG1 2.84Å; H265-H350 AromaticContact CD2-CE1 3.87Å; H265-H350 AromaticContact CE1-CD2 3.64Å; H265-H350 AromaticContact CE1-CE1 3.04Å; H265-H350 PolarHBondContact CE1-CE1 2.89Å; H265-H350 AromaticContact CE1-CG 3.75Å; H265-H350 AromaticContact CE1-ND1 3.35Å; H265-H350 PolarHBondContact CE1-ND1 3.19Å; H265-H350 AromaticContact CE1-NE2 3.27Å; H265-H350 PolarHBondContact CE1-NE2 3.01Å; H265-H350 VanDerWaalsContact CE1-NE2 3.27Å; H265-H350 PolarHBondContact CE1-O 3.19Å; H265-H350 AromaticContact CG-CE1 3.9Å; H265-H350 AromaticContact ND1-CE1 3.42Å; H265-H350 PolarHBondContact ND1-CE1 2.77Å; H265-H350 AromaticContact ND1-ND1 3.44Å; H265-H350 PolarHBondContact ND1-ND1 2.84Å; H265-H350 AromaticContact NE2-CE1 3.34Å; H265-H350 PolarHBondContact NE2-CE1 3.38Å; H265-H350 VanDerWaalsContact NE2-CE1 3.34Å; H265-H350 AromaticContact NE2-NE2 3.46Å; H265-H350 PolarHBondContact NE2-NE2 3.37Å; H265-E353 IonicContact ND1-OE2 2.83Å; H265-L357 HydrophobicContact CB-CD1 3.63Å; H265-E370 IonicContact CE1-OE1 3.83Å; H265-E370 PolarHBondContact CE1-OE1 2.7Å; H265-E370 IonicContact NE2-OE1 3.9Å; H265-E370 PolarHBondContact NE2-OE1 3.24Å
266	E	88.1	Confident	83.7	Confident	22 Å²	22	38.8 Å²	38.8	10%	0.103	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.6	-179.3	-75.1	-65.3	131.3	0	0	114.6	H262 C263 E264 V268 R269 D270 Y373	H262-E266 WeakPolarHBondContact O-CB 3.41Å; H262-E266 WeakPolarHBondContact O-CG 3.49Å; H262-E266 PolarHBondContact O-N 3.34Å; C263-E266 PolarHBondContact O-N 3.12Å; E264-E266 VanDerWaalsContact C-N 3.32Å; E266-V268 PolarHBondContact O-N 3.38Å; E266-R269 WeakPolarHBondContact O-CB 3.35Å; E266-R269 PolarHBondContact O-N 3.03Å; E266-R269 IonicContact OE2-CZ 3.82Å; E266-R269 IonicContact OE2-NE 3.81Å; E266-R269 PolarHBondContact OE2-NE 2.9Å; E266-R269 IonicContact OE2-NH2 3.84Å; E266-R269 PolarHBondContact OE2-NH2 3.26Å; E266-D270 PolarHBondContact O-N 2.84Å; E266-D270 VanDerWaalsContact O-N 3.13Å; E266-Y373 PolarHBondContact OE1-OH 3.24Å
267	C	93.6	Very high	82.7	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-30.5	174.4	-74.7	0	0	0	0	112.4	C227 R228 C263 E264 H265 R269 D270 L271	C227-C267 HydrophobicContact CB-CB 3.85Å; C227-C267 WeakPolarHBondContact CB-SG 3.31Å; C227-C267 VanDerWaalsContact SG-CA 3.54Å; C227-C267 WeakPolarHBondContact SG-CB 3.19Å; C227-C267 CovalentContact SG-SG 2.05Å; C227-C267 PolarHBondContact SG-SG 3.45Å; R228-C267 HydrophobicContact CG-CB 4.28Å; R228-C267 PolarHBondContact N-SG 2.98Å; C263-C267 PolarHBondContact O-N 2.72Å; E264-C267 WeakPolarHBondContact O-CB 3.4Å; E264-C267 PolarHBondContact O-N 2.63Å; H265-C267 PolarHBondContact O-N 2.95Å; C267-R269 VanDerWaalsContact C-N 3.27Å; C267-R269 PolarHBondContact O-N 3.5Å; C267-D270 PolarHBondContact O-N 3.39Å; C267-L271 WeakPolarHBondContact O-CB 3.36Å; C267-L271 WeakPolarHBondContact O-CG 3.48Å; C267-L271 PolarHBondContact O-N 3.07Å
268	V	91.5	Very high	81	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-40.4	174.6	68.5	0	0	0	0	111.9	H265 E266 A272 Y346 Y373	H265-V268 WeakPolarHBondContact O-CG1 2.84Å; E266-V268 PolarHBondContact O-N 3.38Å; V268-A272 VanDerWaalsContact O-CB 3.3Å; V268-A272 WeakPolarHBondContact O-CB 3.22Å; V268-A272 PolarHBondContact O-N 3.34Å; V268-Y346 WeakPolarHBondContact CB-OH 3.46Å; V268-Y346 VanDerWaalsContact CG2-OH 3.3Å; V268-Y346 WeakPolarHBondContact CG2-OH 3.41Å; V268-Y373 HydrophobicContact CG1-CD1 3.78Å; V268-Y373 HydrophobicContact CG1-CD2 3.61Å; V268-Y373 HydrophobicContact CG1-CE1 3.97Å; V268-Y373 HydrophobicContact CG1-CE2 3.82Å; V268-Y373 HydrophobicContact CG1-CG 3.61Å; V268-Y373 HydrophobicContact CG2-CG 4.43Å
269	R	83.6	Confident	79.7	Confident	117 Å²	117	41 Å²	41	44%	0.442	21%	0.209	S	C	.	.	H	α-helix	trans	-72	-51.7	177.7	-176.9	175.8	57.9	150.5	-3.7	110.6	E266 C267 L271 A272 T273 P280 Y373	E266-R269 WeakPolarHBondContact O-CB 3.35Å; E266-R269 PolarHBondContact O-N 3.03Å; E266-R269 IonicContact OE2-CZ 3.82Å; E266-R269 IonicContact OE2-NE 3.81Å; E266-R269 PolarHBondContact OE2-NE 2.9Å; E266-R269 IonicContact OE2-NH2 3.84Å; E266-R269 PolarHBondContact OE2-NH2 3.26Å; C267-R269 VanDerWaalsContact C-N 3.27Å; C267-R269 PolarHBondContact O-N 3.5Å; R269-L271 VanDerWaalsContact C-N 3.29Å; R269-L271 PolarHBondContact O-N 2.94Å; R269-A272 PolarHBondContact O-N 3.4Å; R269-A272 VanDerWaalsContact O-N 3.09Å; R269-T273 PolarHBondContact O-N 2.67Å; R269-T273 PolarHBondContact O-OG1 3.35Å; R269-P280 HydrophobicContact CG-CB 4.14Å; R269-P280 HydrophobicContact CG-CG 4.01Å; R269-Y373 HydrophobicContact CB-CD1 4.25Å; R269-Y373 HydrophobicContact CB-CE1 3.87Å
270	D	84.8	Confident	79.1	Confident	62 Å²	62	42 Å²	42	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-55.4	-45.9	-179.3	175.7	45	0	0	0	111.3	R188 E266 C267 A272 T273	R188-D270 IonicContact CZ-OD1 2.71Å; R188-D270 PolarHBondContact NH1-O 3.08Å; R188-D270 IonicContact NH1-OD1 3.63Å; R188-D270 IonicContact NH2-OD1 3.3Å; R188-D270 PolarHBondContact NH2-OD1 2.81Å; R188-D270 IonicContact NH2-OD2 3.62Å; E266-D270 PolarHBondContact O-N 2.84Å; E266-D270 VanDerWaalsContact O-N 3.13Å; C267-D270 PolarHBondContact O-N 3.39Å; D270-A272 VanDerWaalsContact C-N 3.34Å; D270-A272 PolarHBondContact O-N 3.19Å; D270-T273 PolarHBondContact O-N 3.06Å
271	L	91.9	Very high	78.2	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-32.7	179.8	-64.6	177.3	0	0	0	113.1	H190 Q191 Y220 A223 D224 C267 R269 T273	H190-L271 PolarHBondContact CE1-O 3.39Å; Q191-L271 PolarHBondContact NE2-O 3.11Å; Y220-L271 HydrophobicContact CD2-CB 4.41Å; Y220-L271 HydrophobicContact CD2-CD1 4.38Å; Y220-L271 HydrophobicContact CE2-CB 3.81Å; Y220-L271 HydrophobicContact CE2-CD1 3.95Å; A223-L271 HydrophobicContact CB-CD1 4.34Å; A223-L271 HydrophobicContact CB-CD2 3.55Å; D224-L271 HydrophobicContact CB-CD1 3.9Å; C267-L271 WeakPolarHBondContact O-CB 3.36Å; C267-L271 WeakPolarHBondContact O-CG 3.48Å; C267-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact C-N 3.29Å; R269-L271 PolarHBondContact O-N 2.94Å; L271-T273 VanDerWaalsContact C-N 3.35Å
272	A	83.8	Confident	77.1	Confident	6 Å²	6	47.8 Å²	47.8	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-77.5	-20.8	175.7	0	0	0	0	0	113.1	V268 R269 D270 P280 M281 Y284	V268-A272 VanDerWaalsContact O-CB 3.3Å; V268-A272 WeakPolarHBondContact O-CB 3.22Å; V268-A272 PolarHBondContact O-N 3.34Å; R269-A272 PolarHBondContact O-N 3.4Å; R269-A272 VanDerWaalsContact O-N 3.09Å; D270-A272 VanDerWaalsContact C-N 3.34Å; D270-A272 PolarHBondContact O-N 3.19Å; A272-P280 HydrophobicContact CB-CB 3.58Å; A272-M281 WeakPolarHBondContact O-CB 3.28Å; A272-M281 WeakPolarHBondContact O-CG 3.49Å; A272-M281 PolarHBondContact O-N 3.06Å; A272-Y284 HydrophobicContact CB-CD1 4.03Å; A272-Y284 HydrophobicContact CB-CG 4.12Å
273	T	76.8	Confident	76.7	Confident	20 Å²	20	45.6 Å²	45.6	12%	0.123	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-80	125.7	-179.9	-60.3	0	0	0	0	111.4	R188 Q191 R269 D270 L271 R277 P280	R188-T273 PolarHBondContact NH1-O 2.96Å; Q191-T273 PolarHBondContact NE2-O 2.87Å; R269-T273 PolarHBondContact O-N 2.67Å; R269-T273 PolarHBondContact O-OG1 3.35Å; D270-T273 PolarHBondContact O-N 3.06Å; L271-T273 VanDerWaalsContact C-N 3.35Å; T273-R277 WeakPolarHBondContact CG2-O 3.35Å; T273-P280 WeakPolarHBondContact OG1-CA 3.2Å
274	R	74.6	Confident	76.5	Confident	129 Å²	129	44.2 Å²	44.2	49%	0.487	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-75.3	149.3	173.2	-69.5	-176.4	-70.2	-178.9	-2.7	109.9	G276 R277 M281	R274-G276 PolarHBondContact O-N 3.23Å; R274-R277 HydrophobicContact CB-CB 4.37Å; R274-R277 HydrophobicContact CB-CG 4.16Å; R274-R277 PolarHBondContact O-N 3.36Å; R274-M281 HydrophobicContact CG-CG 4.33Å; R274-M281 HydrophobicContact CG-SD 3.87Å
275	P	66.3	Low	76.4	Confident	25 Å²	25	43 Å²	43	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	137.5	171.4	-25.1	33.6	0	0	0	111	Q156 A157 R277	Q156-P275 CarbonylContact O-C 3.59Å; Q156-P275 VanDerWaalsContact O-C 3.31Å; A157-P275 HydrophobicContact CB-CB 4.12Å; P275-R277 PolarHBondContact O-N 2.93Å
276	G	54.2	Low	76.4	Confident	37 Å²	37	43 Å²	43	38%	0.381	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-2	178	0	0	0	0	0	116.3	A157 R274	A157-G276 VanDerWaalsContact C-CA 3.41Å; A157-G276 WeakPolarHBondContact O-CA 3.16Å; R274-G276 PolarHBondContact O-N 3.23Å
277	R	59.9	Low	76.3	Confident	93 Å²	93	42.9 Å²	42.9	35%	0.351	22%	0.218	S	C	.	.			trans	-101.4	146	169.6	-60.3	-61.7	-176.5	166.2	-2	108.7	T273 R274 P275 D563	T273-R277 WeakPolarHBondContact CG2-O 3.35Å; R274-R277 HydrophobicContact CB-CB 4.37Å; R274-R277 HydrophobicContact CB-CG 4.16Å; R274-R277 PolarHBondContact O-N 3.36Å; P275-R277 PolarHBondContact O-N 2.93Å; R277-D563 IonicContact NH2-OD2 3.95Å
278	L	50.6	Low	76.3	Confident	106 Å²	106	42.9 Å²	42.9	56%	0.555	22%	0.218	S	C	*	.	S	Bend	trans	-92.4	-34.8	178.3	-65.2	171.4	0	0	0	110.8	L559 P572	L278-L559 HydrophobicContact CD1-CD1 3.73Å; L278-L559 HydrophobicContact CD1-CD2 3.9Å; L278-L559 HydrophobicContact CD1-CG 4.33Å; L278-P572 HydrophobicContact CD1-CG 4.4Å
279	S	56.8	Low	76.5	Confident	68 Å²	68	42.6 Å²	42.6	48%	0.476	22%	0.217	S	C	.	.	S	Bend	trans	-88.7	138.5	179.9	-42.8	0	0	0	0	111.7
280	P	65.7	Low	76.7	Confident	44 Å²	44	37.3 Å²	37.3	29%	0.286	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-65.7	153.4	172	30.2	-35.7	0	0	0	110.7	R269 A272 T273 E282	R269-P280 HydrophobicContact CG-CB 4.14Å; R269-P280 HydrophobicContact CG-CG 4.01Å; A272-P280 HydrophobicContact CB-CB 3.58Å; T273-P280 WeakPolarHBondContact OG1-CA 3.2Å; P280-E282 PolarHBondContact O-N 3.34Å
281	M	68.9	Low	76.8	Confident	50 Å²	50	35.7 Å²	35.7	25%	0.246	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-62.5	122.7	162.7	-68.5	176.2	62.1	0	0	108.9	F194 A272 R274 Y284	F194-M281 HydrophobicContact CD1-CE 4.5Å; F194-M281 HydrophobicContact CE1-CE 3.99Å; A272-M281 WeakPolarHBondContact O-CB 3.28Å; A272-M281 WeakPolarHBondContact O-CG 3.49Å; A272-M281 PolarHBondContact O-N 3.06Å; R274-M281 HydrophobicContact CG-CG 4.33Å; R274-M281 HydrophobicContact CG-SD 3.87Å; M281-Y284 HydrophobicContact CB-CD2 4.29Å; M281-Y284 HydrophobicContact CB-CG 4.43Å; M281-Y284 HydrophobicContact CE-CD2 4Å; M281-Y284 HydrophobicContact CE-CE2 4.37Å; M281-Y284 PolarHBondContact O-N 2.97Å; M281-Y284 HydrophobicContact SD-CD2 4.07Å; M281-Y284 HydrophobicContact SD-CE2 4.32Å
282	E	67.7	Low	77	Confident	99 Å²	99	35.4 Å²	35.4	46%	0.463	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	140.7	175.1	-65	-168.7	175.1	0	0	110.4	P280 Y284 T377 G378	P280-E282 PolarHBondContact O-N 3.34Å; E282-Y284 PolarHBondContact O-N 2.99Å; E282-T377 PolarHBondContact OE2-OG1 3.35Å; E282-G378 PolarHBondContact OE2-N 3.36Å
283	N	77.5	Confident	77.5	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.011	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	24	178.3	-63.9	-23.9	0	0	0	115	L285 P286 L287 H316 Y373 W374 S375	N283-L285 VanDerWaalsContact C-N 3.33Å; N283-L285 PolarHBondContact O-N 3.39Å; N283-L285 VanDerWaalsContact O-N 3.13Å; N283-P286 HydrophobicContact CB-CB 4.27Å; N283-P286 HydrophobicContact CB-CG 4.31Å; N283-P286 WeakPolarHBondContact O-CD 3.29Å; N283-L287 WeakPolarHBondContact O-CB 3.39Å; N283-L287 PolarHBondContact O-N 3.47Å; N283-H316 PolarHBondContact OD1-CE1 2.9Å; N283-H316 VanDerWaalsContact OD1-CE1 3.23Å; N283-Y373 PolarHBondContact N-O 3.08Å; N283-W374 WeakPolarHBondContact OD1-CA 3.38Å; N283-S375 PolarHBondContact ND2-O 2.86Å; N283-S375 PolarHBondContact OD1-N 2.81Å; N283-S375 PolarHBondContact OD1-O 2.94Å; N283-S375 VanDerWaalsContact OD1-O 3.04Å
284	Y	85.4	Confident	78.1	Confident	5 Å²	5	34.3 Å²	34.3	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-51.1	-48.5	-169.4	-179.9	-121.4	0	0	0	114	H190 Q191 F194 Y220 A272 M281 E282 H288	H190-Y284 AromaticContact CE1-CE1 3.97Å; H190-Y284 AromaticContact ND1-CE1 3.53Å; H190-Y284 AromaticContact ND1-CZ 3.66Å; H190-Y284 PolarHBondContact ND1-OH 2.89Å; H190-Y284 PolarHBondContact O-OH 2.75Å; Q191-Y284 WeakPolarHBondContact CA-OH 3.16Å; Q191-Y284 PolarHBondContact N-OH 3.12Å; F194-Y284 HydrophobicContact CB-CE2 4.32Å; F194-Y284 AromaticContact CD1-CE2 3.89Å; F194-Y284 HydrophobicContact CD1-CE2 3.89Å; F194-Y284 HydrophobicContact CD2-CE2 4.19Å; F194-Y284 HydrophobicContact CE1-CE2 4.27Å; F194-Y284 AromaticContact CG-CE2 3.86Å; F194-Y284 HydrophobicContact CG-CE2 3.86Å; Y220-Y284 HydrophobicContact CD2-CD1 4.17Å; Y220-Y284 AromaticContact CD2-CE1 3.75Å; Y220-Y284 HydrophobicContact CD2-CE1 3.75Å; Y220-Y284 AromaticContact CE2-CD1 3.9Å; Y220-Y284 HydrophobicContact CE2-CD1 3.9Å; Y220-Y284 AromaticContact CE2-CE1 3.94Å; Y220-Y284 HydrophobicContact CE2-CE1 3.94Å; A272-Y284 HydrophobicContact CB-CD1 4.03Å; A272-Y284 HydrophobicContact CB-CG 4.12Å; M281-Y284 HydrophobicContact CB-CD2 4.29Å; M281-Y284 HydrophobicContact CB-CG 4.43Å; M281-Y284 HydrophobicContact CE-CD2 4Å; M281-Y284 HydrophobicContact CE-CE2 4.37Å; M281-Y284 PolarHBondContact O-N 2.97Å; M281-Y284 HydrophobicContact SD-CD2 4.07Å; M281-Y284 HydrophobicContact SD-CE2 4.32Å; E282-Y284 PolarHBondContact O-N 2.99Å; Y284-H288 AromaticContact CE2-CE1 3.68Å; Y284-H288 AromaticContact CZ-CE1 3.64Å; Y284-H288 PolarHBondContact O-CE1 3.13Å; Y284-H288 VanDerWaalsContact O-CE1 3.22Å; Y284-H288 PolarHBondContact O-ND1 3.1Å
285	L	91.6	Very high	78.9	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-54.7	175.4	175	62.3	0	0	0	112.6	L217 Y220 N283 L287 H288 Y289 F315 Y346	L217-L285 HydrophobicContact CD2-CD1 3.83Å; Y220-L285 HydrophobicContact CD1-CD1 3.71Å; Y220-L285 HydrophobicContact CE1-CB 4.24Å; Y220-L285 HydrophobicContact CE1-CD1 3.64Å; Y220-L285 HydrophobicContact CE1-CD2 3.7Å; Y220-L285 HydrophobicContact CE1-CG 4.06Å; Y220-L285 HydrophobicContact CE2-CB 4.4Å; Y220-L285 HydrophobicContact CG-CD1 4.32Å; N283-L285 VanDerWaalsContact C-N 3.33Å; N283-L285 PolarHBondContact O-N 3.39Å; N283-L285 VanDerWaalsContact O-N 3.13Å; L285-L287 PolarHBondContact O-N 3.29Å; L285-L287 VanDerWaalsContact O-N 3.17Å; L285-H288 WeakPolarHBondContact O-CB 3.48Å; L285-H288 PolarHBondContact O-N 3.25Å; L285-H288 VanDerWaalsContact O-N 3.15Å; L285-H288 PolarHBondContact O-ND1 3.46Å; L285-Y289 HydrophobicContact CD1-CE2 4.1Å; L285-Y289 HydrophobicContact CG-CE2 4.35Å; L285-F315 HydrophobicContact CD2-CE1 3.96Å; L285-F315 HydrophobicContact CD2-CZ 3.79Å; L285-F315 HydrophobicContact CG-CE1 4.43Å; L285-F315 HydrophobicContact CG-CZ 4.11Å; L285-Y346 HydrophobicContact CD2-CD1 4.04Å; L285-Y346 HydrophobicContact CD2-CE1 3.87Å; L285-Y346 HydrophobicContact CD2-CE2 4.36Å; L285-Y346 HydrophobicContact CD2-CG 4.4Å
286	P	91.1	Very high	80.3	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-51.2	-37.7	175.2	-23.9	25.2	0	0	0	114.3	N283 H288 Y289 D290 Y312 F315 H316	N283-P286 HydrophobicContact CB-CB 4.27Å; N283-P286 HydrophobicContact CB-CG 4.31Å; N283-P286 WeakPolarHBondContact O-CD 3.29Å; P286-H288 PolarHBondContact O-N 3.46Å; P286-Y289 WeakPolarHBondContact O-CA 3.49Å; P286-Y289 WeakPolarHBondContact O-CB 3.48Å; P286-Y289 PolarHBondContact O-N 2.75Å; P286-D290 PolarHBondContact O-N 2.85Å; P286-D290 VanDerWaalsContact O-N 3.15Å; P286-Y312 HydrophobicContact CB-CD2 4.1Å; P286-Y312 HydrophobicContact CB-CE2 4.08Å; P286-Y312 WeakPolarHBondContact O-CD2 3.45Å; P286-F315 HydrophobicContact CB-CB 4.17Å; P286-F315 HydrophobicContact CB-CD2 4.34Å; P286-F315 HydrophobicContact CB-CG 4.2Å; P286-F315 HydrophobicContact CG-CB 3.77Å; P286-F315 HydrophobicContact CG-CD1 3.78Å; P286-F315 HydrophobicContact CG-CD2 4.19Å; P286-F315 HydrophobicContact CG-CE1 4.42Å; P286-F315 HydrophobicContact CG-CG 3.66Å; P286-H316 WeakPolarHBondContact CB-NE2 3.44Å
287	L	86.6	Confident	82.2	Confident	20 Å²	20	27.9 Å²	27.9	11%	0.105	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-28.1	-176.2	-172.1	62.4	0	0	0	112.5	F194 N283 L285 Y289 D290 Y291	F194-L287 HydrophobicContact CE1-CD2 4.43Å; F194-L287 HydrophobicContact CE2-CG 4.46Å; F194-L287 HydrophobicContact CZ-CD2 3.68Å; F194-L287 HydrophobicContact CZ-CG 3.95Å; N283-L287 WeakPolarHBondContact O-CB 3.39Å; N283-L287 PolarHBondContact O-N 3.47Å; L285-L287 PolarHBondContact O-N 3.29Å; L285-L287 VanDerWaalsContact O-N 3.17Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3Å; L287-D290 PolarHBondContact O-N 2.83Å; L287-Y291 HydrophobicContact CD1-CD2 4.07Å; L287-Y291 HydrophobicContact CD1-CE2 3.77Å; L287-Y291 HydrophobicContact CD2-CE2 4.08Å; L287-Y291 HydrophobicContact CG-CD2 3.85Å; L287-Y291 HydrophobicContact CG-CE2 3.67Å; L287-Y291 VanDerWaalsContact O-CD2 3.25Å; L287-Y291 WeakPolarHBondContact O-CD2 3.44Å; L287-Y291 PolarHBondContact O-N 3.05Å
288	H	93.2	Very high	83.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-43.2	170.9	-67.3	66.9	0	0	0	110.7	F194 L217 Y284 L285 P286 L292	F194-H288 AromaticContact CD2-CD2 3.62Å; F194-H288 AromaticContact CD2-CE1 3.38Å; F194-H288 WeakPolarHBondContact CD2-CE1 3.36Å; F194-H288 AromaticContact CD2-CG 3.89Å; F194-H288 AromaticContact CD2-ND1 3.74Å; F194-H288 AromaticContact CD2-NE2 3.29Å; F194-H288 VanDerWaalsContact CD2-NE2 3.29Å; F194-H288 WeakPolarHBondContact CD2-NE2 3.37Å; F194-H288 AromaticContact CE2-CE1 3.76Å; F194-H288 AromaticContact CE2-CG 3.96Å; F194-H288 AromaticContact CE2-ND1 3.7Å; L217-H288 HydrophobicContact CD1-CB 4.29Å; L217-H288 HydrophobicContact CD2-CB 3.61Å; L217-H288 HydrophobicContact CG-CB 3.86Å; Y284-H288 AromaticContact CE2-CE1 3.68Å; Y284-H288 AromaticContact CZ-CE1 3.64Å; Y284-H288 PolarHBondContact O-CE1 3.13Å; Y284-H288 VanDerWaalsContact O-CE1 3.22Å; Y284-H288 PolarHBondContact O-ND1 3.1Å; L285-H288 WeakPolarHBondContact O-CB 3.48Å; L285-H288 PolarHBondContact O-N 3.25Å; L285-H288 VanDerWaalsContact O-N 3.15Å; L285-H288 PolarHBondContact O-ND1 3.46Å; P286-H288 PolarHBondContact O-N 3.46Å; H288-L292 VanDerWaalsContact O-CB 3.24Å; H288-L292 WeakPolarHBondContact O-CB 3.26Å; H288-L292 WeakPolarHBondContact O-CD1 3.29Å; H288-L292 WeakPolarHBondContact O-CG 3.14Å; H288-L292 PolarHBondContact O-N 3.41Å
289	Y	95.4	Very high	85.9	Confident	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-71.5	-34.7	-179.1	-59.4	-59.3	0	0	0	112.5	L217 Y221 L285 P286 L287 Q293 T311 F315 A343	L217-Y289 HydrophobicContact CD1-CD1 4.12Å; L217-Y289 HydrophobicContact CD1-CE1 3.48Å; L217-Y289 VanDerWaalsContact CD1-CE1 3.48Å; L217-Y289 HydrophobicContact CD2-CE1 4.08Å; L217-Y289 HydrophobicContact CD2-CE2 4.34Å; L217-Y289 HydrophobicContact CG-CE1 4.46Å; Y221-Y289 PolarHBondContact OH-OH 2.99Å; L285-Y289 HydrophobicContact CD1-CE2 4.1Å; L285-Y289 HydrophobicContact CG-CE2 4.35Å; P286-Y289 WeakPolarHBondContact O-CA 3.49Å; P286-Y289 WeakPolarHBondContact O-CB 3.48Å; P286-Y289 PolarHBondContact O-N 2.75Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3Å; Y289-Q293 WeakPolarHBondContact O-CB 3.21Å; Y289-Q293 WeakPolarHBondContact O-CG 3.15Å; Y289-Q293 PolarHBondContact O-N 2.97Å; Y289-T311 HydrophobicContact CD1-CG2 3.8Å; Y289-T311 HydrophobicContact CD2-CG2 3.66Å; Y289-T311 HydrophobicContact CE1-CG2 3.76Å; Y289-T311 HydrophobicContact CE2-CG2 3.6Å; Y289-T311 HydrophobicContact CG-CG2 3.76Å; Y289-F315 HydrophobicContact CD2-CE2 4.11Å; Y289-F315 AromaticContact CE2-CE2 3.96Å; Y289-F315 HydrophobicContact CE2-CE2 3.96Å; Y289-F315 HydrophobicContact CE2-CZ 4.44Å; Y289-A343 HydrophobicContact CE2-CB 4.25Å
290	D	87.3	Confident	87.7	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-45.3	172.9	-174.9	31.9	0	0	0	112.2	P286 L287 Q293 Y312 M322 R380	P286-D290 PolarHBondContact O-N 2.85Å; P286-D290 VanDerWaalsContact O-N 3.15Å; L287-D290 PolarHBondContact O-N 2.83Å; D290-Q293 VanDerWaalsContact O-CG 3.32Å; D290-Q293 WeakPolarHBondContact O-CG 3.27Å; D290-Q293 PolarHBondContact O-NE2 2.71Å; D290-Q293 PolarHBondContact OD1-NE2 2.85Å; D290-Y312 HydrophobicContact CB-CD2 3.85Å; D290-Y312 HydrophobicContact CB-CE2 3.82Å; D290-M322 HydrophobicContact CB-CE 4.25Å; D290-M322 VanDerWaalsContact OD1-CE 3.26Å; D290-M322 WeakPolarHBondContact OD1-CE 3.44Å; D290-R380 WeakPolarHBondContact OD2-CB 3.4Å
291	Y	88.4	Confident	89.1	Confident	28 Å²	28	29.7 Å²	29.7	11%	0.11	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-45.2	174.4	-83.9	-66.6	0	0	0	112.2	F194 V198 Y201 F213 L287 F294 A295 R380	F194-Y291 HydrophobicContact CE2-CD2 4.26Å; F194-Y291 HydrophobicContact CZ-CD2 4.14Å; F194-Y291 HydrophobicContact CZ-CE2 4.03Å; V198-Y291 HydrophobicContact CG2-CE2 3.99Å; Y201-Y291 AromaticContact CD1-CD1 3.91Å; Y201-Y291 HydrophobicContact CD1-CD1 3.91Å; Y201-Y291 AromaticContact CD1-CE1 3.74Å; Y201-Y291 HydrophobicContact CD1-CE1 3.74Å; Y201-Y291 AromaticContact CD2-CD1 3.83Å; Y201-Y291 HydrophobicContact CD2-CD1 3.83Å; Y201-Y291 HydrophobicContact CD2-CE1 4.49Å; Y201-Y291 AromaticContact CE1-CD1 3.89Å; Y201-Y291 HydrophobicContact CE1-CD1 3.89Å; Y201-Y291 AromaticContact CE1-CE1 3.77Å; Y201-Y291 HydrophobicContact CE1-CE1 3.77Å; Y201-Y291 AromaticContact CE2-CD1 3.77Å; Y201-Y291 HydrophobicContact CE2-CD1 3.77Å; Y201-Y291 HydrophobicContact CE2-CE1 4.49Å; Y201-Y291 AromaticContact CG-CD1 3.88Å; Y201-Y291 HydrophobicContact CG-CD1 3.88Å; Y201-Y291 HydrophobicContact CG-CE1 4.11Å; Y201-Y291 AromaticContact CZ-CD1 3.78Å; F213-Y291 AromaticContact CE1-CD2 3.83Å; F213-Y291 HydrophobicContact CE1-CD2 3.83Å; F213-Y291 AromaticContact CE1-CG 3.91Å; F213-Y291 HydrophobicContact CE1-CG 3.91Å; F213-Y291 VanDerWaalsContact CE2-CB 3.47Å; F213-Y291 HydrophobicContact CE2-CD1 4.07Å; F213-Y291 AromaticContact CE2-CG 3.8Å; F213-Y291 HydrophobicContact CE2-CG 3.8Å; F213-Y291 VanDerWaalsContact CZ-CB 3.41Å; F213-Y291 AromaticContact CZ-CD1 3.77Å; F213-Y291 HydrophobicContact CZ-CD1 3.77Å; F213-Y291 AromaticContact CZ-CD2 3.65Å; F213-Y291 HydrophobicContact CZ-CD2 3.65Å; F213-Y291 HydrophobicContact CZ-CE1 4.46Å; F213-Y291 HydrophobicContact CZ-CE2 4.36Å; F213-Y291 AromaticContact CZ-CG 3.33Å; F213-Y291 HydrophobicContact CZ-CG 3.33Å; L287-Y291 HydrophobicContact CD1-CD2 4.07Å; L287-Y291 HydrophobicContact CD1-CE2 3.77Å; L287-Y291 HydrophobicContact CD2-CE2 4.08Å; L287-Y291 HydrophobicContact CG-CD2 3.85Å; L287-Y291 HydrophobicContact CG-CE2 3.67Å; L287-Y291 VanDerWaalsContact O-CD2 3.25Å; L287-Y291 WeakPolarHBondContact O-CD2 3.44Å; L287-Y291 PolarHBondContact O-N 3.05Å; Y291-F294 PolarHBondContact O-N 3.28Å; Y291-A295 VanDerWaalsContact O-CB 3.31Å; Y291-A295 WeakPolarHBondContact O-CB 3.46Å; Y291-A295 PolarHBondContact O-N 3.34Å; Y291-R380 HydrophobicContact CE1-CG 4.26Å
292	L	95.9	Very high	90.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-44.1	-178.4	-79.7	167.3	0	0	0	112.1	F213 E214 L217 H288 F294 A295 Y296 C308	F213-L292 HydrophobicContact CB-CD1 4.16Å; F213-L292 HydrophobicContact CB-CD2 3.47Å; F213-L292 VanDerWaalsContact CB-CD2 3.47Å; F213-L292 HydrophobicContact CB-CG 3.66Å; F213-L292 HydrophobicContact CG-CD2 4.42Å; F213-L292 HydrophobicContact CG-CG 4.37Å; E214-L292 HydrophobicContact CG-CD2 4.15Å; L217-L292 HydrophobicContact CD1-CD1 3.42Å; L217-L292 VanDerWaalsContact CD1-CD1 3.42Å; L217-L292 HydrophobicContact CG-CD1 4.4Å; H288-L292 VanDerWaalsContact O-CB 3.24Å; H288-L292 WeakPolarHBondContact O-CB 3.26Å; H288-L292 WeakPolarHBondContact O-CD1 3.29Å; H288-L292 WeakPolarHBondContact O-CG 3.14Å; H288-L292 PolarHBondContact O-N 3.41Å; L292-F294 VanDerWaalsContact C-N 3.25Å; L292-F294 PolarHBondContact O-N 3.32Å; L292-A295 PolarHBondContact O-N 3.05Å; L292-Y296 HydrophobicContact CB-CD2 4.09Å; L292-Y296 HydrophobicContact CB-CE2 4.07Å; L292-Y296 HydrophobicContact CD2-CD2 4.37Å; L292-Y296 HydrophobicContact CD2-CE2 3.78Å; L292-Y296 HydrophobicContact CG-CE2 4.42Å; L292-Y296 VanDerWaalsContact O-CB 3.27Å; L292-Y296 WeakPolarHBondContact O-CB 3.44Å; L292-Y296 WeakPolarHBondContact O-CD2 3.39Å; L292-Y296 PolarHBondContact O-N 3.35Å; L292-C308 HydrophobicContact CB-CB 4.25Å
293	Q	93.6	Very high	91.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-41.8	-178.5	66.7	76.2	22.6	0	0	111.4	Y289 D290 F297 A305 C308 A309 M322 Y329	Y289-Q293 WeakPolarHBondContact O-CB 3.21Å; Y289-Q293 WeakPolarHBondContact O-CG 3.15Å; Y289-Q293 PolarHBondContact O-N 2.97Å; D290-Q293 VanDerWaalsContact O-CG 3.32Å; D290-Q293 WeakPolarHBondContact O-CG 3.27Å; D290-Q293 PolarHBondContact O-NE2 2.71Å; D290-Q293 PolarHBondContact OD1-NE2 2.85Å; Q293-F297 WeakPolarHBondContact O-CB 3.39Å; Q293-F297 PolarHBondContact O-N 3.48Å; Q293-F297 VanDerWaalsContact O-N 3.08Å; Q293-A305 WeakPolarHBondContact CB-O 3.4Å; Q293-A305 VanDerWaalsContact O-CB 3.29Å; Q293-A305 WeakPolarHBondContact O-CB 3.43Å; Q293-C308 HydrophobicContact CB-CB 3.69Å; Q293-A309 HydrophobicContact CB-CB 4.09Å; Q293-A309 HydrophobicContact CG-CB 4.33Å; Q293-M322 HydrophobicContact CG-CE 3.79Å; Q293-M322 HydrophobicContact CG-SD 3.89Å; Q293-Y329 PolarHBondContact OE1-OH 3.45Å
294	F	89.3	Confident	92.5	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-73.9	-42.2	178.7	-172.6	-96.1	0	0	0	112.5	Y201 Y206 Y291 L292 Y296 F297 K298 N384	Y201-F294 HydrophobicContact CE2-CB 4.49Å; Y201-F294 AromaticContact CE2-CD1 3.76Å; Y201-F294 HydrophobicContact CE2-CD1 3.76Å; Y201-F294 AromaticContact CZ-CD1 3.6Å; Y201-F294 WeakPolarHBondContact OH-CD1 3.38Å; Y201-F294 WeakPolarHBondContact OH-CE1 3.23Å; Y201-F294 WeakPolarHBondContact OH-CG 3.2Å; Y206-F294 HydrophobicContact CE1-CD1 4.09Å; Y206-F294 AromaticContact CE1-CE1 3.87Å; Y206-F294 HydrophobicContact CE1-CE1 3.87Å; Y291-F294 PolarHBondContact O-N 3.28Å; L292-F294 VanDerWaalsContact C-N 3.25Å; L292-F294 PolarHBondContact O-N 3.32Å; F294-Y296 VanDerWaalsContact C-N 3.31Å; F294-Y296 PolarHBondContact O-N 3.44Å; F294-F297 WeakPolarHBondContact O-CB 3.48Å; F294-F297 PolarHBondContact O-N 3.33Å; F294-K298 HydrophobicContact CD1-CG 3.9Å; F294-K298 HydrophobicContact CE1-CD 4.15Å; F294-K298 HydrophobicContact CE1-CG 3.69Å; F294-K298 HydrophobicContact CZ-CD 4.27Å; F294-K298 HydrophobicContact CZ-CG 4.23Å; F294-K298 WeakPolarHBondContact O-CG 3.26Å; F294-K298 PolarHBondContact O-N 2.68Å; F294-N384 WeakPolarHBondContact CE2-O 3.23Å; F294-N384 HydrophobicContact CZ-CB 4.14Å; F294-N384 WeakPolarHBondContact CZ-O 3.45Å
295	A	91.3	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-41.5	179.3	0	0	0	0	0	110.9	Y201 Y206 V210 Y291 L292 K298 V299	Y201-A295 HydrophobicContact CD2-CB 4.23Å; Y201-A295 HydrophobicContact CE2-CB 4.21Å; Y206-A295 HydrophobicContact CD1-CB 4.31Å; V210-A295 HydrophobicContact CG2-CB 3.6Å; Y291-A295 VanDerWaalsContact O-CB 3.31Å; Y291-A295 WeakPolarHBondContact O-CB 3.46Å; Y291-A295 PolarHBondContact O-N 3.34Å; L292-A295 PolarHBondContact O-N 3.05Å; A295-K298 PolarHBondContact O-N 3.29Å; A295-V299 WeakPolarHBondContact O-CG2 3.43Å; A295-V299 PolarHBondContact O-N 3.25Å; A295-V299 VanDerWaalsContact O-N 3.15Å
296	Y	96.4	Very high	93.2	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-60.8	-43.7	172.8	-81.6	-49.2	0	0	0	113.1	V210 E214 L292 F294 K298 V299 N300 R301 E304	V210-Y296 HydrophobicContact CB-CE1 4.34Å; V210-Y296 HydrophobicContact CG1-CD1 4.07Å; V210-Y296 HydrophobicContact CG1-CE1 3.31Å; V210-Y296 HydrophobicContact CG2-CD1 3.92Å; V210-Y296 HydrophobicContact CG2-CE1 3.99Å; V210-Y296 HydrophobicContact CG2-CG 4.37Å; E214-Y296 VanDerWaalsContact CD-OH 3.26Å; E214-Y296 WeakPolarHBondContact CG-OH 3.48Å; E214-Y296 WeakPolarHBondContact OE1-CE2 3.47Å; E214-Y296 VanDerWaalsContact OE1-CZ 3.28Å; E214-Y296 PolarHBondContact OE1-OH 3.23Å; L292-Y296 HydrophobicContact CB-CD2 4.09Å; L292-Y296 HydrophobicContact CB-CE2 4.07Å; L292-Y296 HydrophobicContact CD2-CD2 4.37Å; L292-Y296 HydrophobicContact CD2-CE2 3.78Å; L292-Y296 HydrophobicContact CG-CE2 4.42Å; L292-Y296 VanDerWaalsContact O-CB 3.27Å; L292-Y296 WeakPolarHBondContact O-CB 3.44Å; L292-Y296 WeakPolarHBondContact O-CD2 3.39Å; L292-Y296 PolarHBondContact O-N 3.35Å; F294-Y296 VanDerWaalsContact C-N 3.31Å; F294-Y296 PolarHBondContact O-N 3.44Å; Y296-K298 VanDerWaalsContact C-N 3.32Å; Y296-K298 PolarHBondContact O-N 2.98Å; Y296-V299 HydrophobicContact CD1-CG2 4.43Å; Y296-V299 CarbonylContact O-C 3.55Å; Y296-V299 WeakPolarHBondContact O-CG2 3.35Å; Y296-V299 PolarHBondContact O-N 3.47Å; Y296-N300 PolarHBondContact O-N 3.36Å; Y296-R301 HydrophobicContact CD1-CB 3.77Å; Y296-R301 HydrophobicContact CG-CB 4.44Å; Y296-R301 PolarHBondContact O-N 3.41Å; Y296-E304 HydrophobicContact CD1-CB 3.83Å; Y296-E304 HydrophobicContact CD2-CB 3.65Å; Y296-E304 HydrophobicContact CE1-CB 3.92Å; Y296-E304 HydrophobicContact CE1-CG 4.36Å; Y296-E304 HydrophobicContact CE2-CB 3.75Å; Y296-E304 HydrophobicContact CG-CB 3.7Å
297	F	93	Very high	93.5	Very high	50 Å²	50	31 Å²	31	22%	0.219	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-44.8	173.3	170.6	-106.7	0	0	0	111.8	Q293 F294 V299 N300 L302 A305 H328 Y329 I386	Q293-F297 WeakPolarHBondContact O-CB 3.39Å; Q293-F297 PolarHBondContact O-N 3.48Å; Q293-F297 VanDerWaalsContact O-N 3.08Å; F294-F297 WeakPolarHBondContact O-CB 3.48Å; F294-F297 PolarHBondContact O-N 3.33Å; F297-V299 VanDerWaalsContact C-N 3.27Å; F297-V299 PolarHBondContact O-N 3.45Å; F297-N300 PolarHBondContact O-N 3.01Å; F297-L302 HydrophobicContact CD2-CD2 3.63Å; F297-L302 HydrophobicContact CE2-CD2 4.23Å; F297-A305 HydrophobicContact CB-CB 4.31Å; F297-H328 AromaticContact CE2-NE2 3.81Å; F297-Y329 HydrophobicContact CB-CE1 3.99Å; F297-Y329 HydrophobicContact CD2-CD1 4.18Å; F297-Y329 AromaticContact CD2-CE1 3.44Å; F297-Y329 HydrophobicContact CD2-CE1 3.44Å; F297-Y329 VanDerWaalsContact CD2-CE1 3.44Å; F297-Y329 HydrophobicContact CE2-CE1 4.1Å; F297-Y329 AromaticContact CG-CE1 3.88Å; F297-Y329 HydrophobicContact CG-CE1 3.88Å; F297-I386 HydrophobicContact CD1-CD1 4.2Å; F297-I386 HydrophobicContact CD2-CD1 4.46Å; F297-I386 HydrophobicContact CE1-CD1 4.01Å; F297-I386 HydrophobicContact CE1-CG1 4.29Å; F297-I386 HydrophobicContact CE2-CD1 4.27Å; F297-I386 HydrophobicContact CG-CD1 4.41Å; F297-I386 HydrophobicContact CZ-CD1 4.04Å
298	K	92	Very high	93.9	Very high	98 Å²	98	30 Å²	30	43%	0.426	14%	0.141	S	C	.	.	H	α-helix	trans	-65	-26.9	179.7	-70.9	-66.7	-173.8	-174.1	0	114.2	Y206 F294 A295 Y296	Y206-K298 HydrophobicContact CD1-CB 3.98Å; Y206-K298 HydrophobicContact CD1-CG 3.99Å; Y206-K298 HydrophobicContact CD2-CB 3.52Å; Y206-K298 HydrophobicContact CD2-CD 4.48Å; Y206-K298 HydrophobicContact CD2-CG 3.9Å; Y206-K298 HydrophobicContact CE1-CB 4.37Å; Y206-K298 HydrophobicContact CE1-CG 3.89Å; Y206-K298 HydrophobicContact CE2-CB 3.96Å; Y206-K298 HydrophobicContact CE2-CD 4.07Å; Y206-K298 HydrophobicContact CE2-CG 3.81Å; Y206-K298 HydrophobicContact CG-CB 3.53Å; Y206-K298 HydrophobicContact CG-CG 3.98Å; F294-K298 HydrophobicContact CD1-CG 3.9Å; F294-K298 HydrophobicContact CE1-CD 4.15Å; F294-K298 HydrophobicContact CE1-CG 3.69Å; F294-K298 HydrophobicContact CZ-CD 4.27Å; F294-K298 HydrophobicContact CZ-CG 4.23Å; F294-K298 WeakPolarHBondContact O-CG 3.26Å; F294-K298 PolarHBondContact O-N 2.68Å; A295-K298 PolarHBondContact O-N 3.29Å; Y296-K298 VanDerWaalsContact C-N 3.32Å; Y296-K298 PolarHBondContact O-N 2.98Å
299	V	96.3	Very high	94	Very high	37 Å²	37	30 Å²	30	22%	0.224	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.4	174.9	-55.5	0	0	0	0	113.1	E207 A295 Y296 F297 R301	E207-V299 HydrophobicContact CB-CG1 4.28Å; E207-V299 WeakPolarHBondContact OE2-CG1 3.27Å; A295-V299 WeakPolarHBondContact O-CG2 3.43Å; A295-V299 PolarHBondContact O-N 3.25Å; A295-V299 VanDerWaalsContact O-N 3.15Å; Y296-V299 HydrophobicContact CD1-CG2 4.43Å; Y296-V299 CarbonylContact O-C 3.55Å; Y296-V299 WeakPolarHBondContact O-CG2 3.35Å; Y296-V299 PolarHBondContact O-N 3.47Å; F297-V299 VanDerWaalsContact C-N 3.27Å; F297-V299 PolarHBondContact O-N 3.45Å; V299-R301 VanDerWaalsContact C-N 3.31Å; V299-R301 HydrophobicContact CG2-CB 4.13Å; V299-R301 HydrophobicContact CG2-CG 3.94Å; V299-R301 PolarHBondContact O-N 3.36Å
300	N	94.8	Very high	94	Very high	132 Å²	132	30.9 Å²	30.9	71%	0.706	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	35	177.2	-164.9	67.2	0	0	0	114.1	Y296 F297	Y296-N300 PolarHBondContact O-N 3.36Å; F297-N300 PolarHBondContact O-N 3.01Å
301	R	96.1	Very high	94.5	Very high	82 Å²	82	30.7 Å²	30.7	31%	0.309	14%	0.144	S	C	.	.			trans	-106	69.2	174.4	-72.2	178.3	66.6	-171.4	-7.4	109.6	Y296 V299 E303 E304 A305	Y296-R301 HydrophobicContact CD1-CB 3.77Å; Y296-R301 HydrophobicContact CG-CB 4.44Å; Y296-R301 PolarHBondContact O-N 3.41Å; V299-R301 VanDerWaalsContact C-N 3.31Å; V299-R301 HydrophobicContact CG2-CB 4.13Å; V299-R301 HydrophobicContact CG2-CG 3.94Å; V299-R301 PolarHBondContact O-N 3.36Å; R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E303 PolarHBondContact O-N 3.21Å; R301-E304 WeakPolarHBondContact CB-OE2 3.4Å; R301-E304 IonicContact CZ-OE1 3.45Å; R301-E304 IonicContact NE-OE1 3.79Å; R301-E304 PolarHBondContact NE-OE1 2.95Å; R301-E304 IonicContact NH2-OE1 3.45Å; R301-E304 PolarHBondContact NH2-OE1 2.81Å; R301-E304 PolarHBondContact O-N 2.85Å; R301-A305 PolarHBondContact O-N 3.47Å; R301-A305 VanDerWaalsContact O-N 3.08Å
302	L	93.5	Very high	94.7	Very high	24 Å²	24	29.6 Å²	29.6	13%	0.126	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-31.3	-167.9	-65.6	176.1	0	0	0	113.7	F297 A305 L306 Y329 I332 L333	F297-L302 HydrophobicContact CD2-CD2 3.63Å; F297-L302 HydrophobicContact CE2-CD2 4.23Å; L302-A305 WeakPolarHBondContact O-CB 3.29Å; L302-A305 PolarHBondContact O-N 2.87Å; L302-L306 WeakPolarHBondContact O-CB 3.36Å; L302-L306 PolarHBondContact O-N 2.99Å; L302-Y329 HydrophobicContact CD2-CD1 4.25Å; L302-I332 HydrophobicContact CD1-CB 4.1Å; L302-I332 HydrophobicContact CD1-CD1 4.41Å; L302-I332 HydrophobicContact CD1-CG2 3.4Å; L302-L333 HydrophobicContact CB-CD1 4.12Å; L302-L333 HydrophobicContact CB-CD2 3.89Å; L302-L333 HydrophobicContact CB-CG 4.02Å
303	E	94.8	Very high	94.6	Very high	59 Å²	59	31.4 Å²	31.4	28%	0.276	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-48.3	178.8	-173	62.2	-162.7	0	0	110.7	R301 A305 L306 Q307 H335 S337	R301-E303 VanDerWaalsContact C-N 3.34Å; R301-E303 PolarHBondContact O-N 3.21Å; E303-A305 VanDerWaalsContact C-N 3.31Å; E303-A305 PolarHBondContact O-N 3.1Å; E303-L306 PolarHBondContact O-N 3.42Å; E303-Q307 WeakPolarHBondContact O-CB 3.14Å; E303-Q307 PolarHBondContact O-N 3.43Å; E303-H335 IonicContact OE1-CE1 2.73Å; E303-H335 IonicContact OE2-CE1 3.79Å; E303-H335 PolarHBondContact OE2-CE1 3.25Å; E303-H335 IonicContact OE2-ND1 3.3Å; E303-H335 IonicContact OE2-NE2 2.88Å; E303-S337 VanDerWaalsContact OE1-CB 3.31Å; E303-S337 WeakPolarHBondContact OE1-CB 3.32Å; E303-S337 PolarHBondContact OE1-OG 2.81Å
304	E	96.8	Very high	94.6	Very high	51 Å²	51	34.1 Å²	34.1	24%	0.238	16%	0.164	C	C	.	.	H	α-helix	trans	-67.7	-33.4	177.1	-59	97.6	131.7	0	0	111.9	Y296 R301 Q307 C308	Y296-E304 HydrophobicContact CD1-CB 3.83Å; Y296-E304 HydrophobicContact CD2-CB 3.65Å; Y296-E304 HydrophobicContact CE1-CB 3.92Å; Y296-E304 HydrophobicContact CE1-CG 4.36Å; Y296-E304 HydrophobicContact CE2-CB 3.75Å; Y296-E304 HydrophobicContact CG-CB 3.7Å; R301-E304 WeakPolarHBondContact CB-OE2 3.4Å; R301-E304 IonicContact CZ-OE1 3.45Å; R301-E304 IonicContact NE-OE1 3.79Å; R301-E304 PolarHBondContact NE-OE1 2.95Å; R301-E304 IonicContact NH2-OE1 3.45Å; R301-E304 PolarHBondContact NH2-OE1 2.81Å; R301-E304 PolarHBondContact O-N 2.85Å; E304-Q307 PolarHBondContact O-N 3.04Å; E304-C308 WeakPolarHBondContact O-CB 3.06Å; E304-C308 PolarHBondContact O-N 2.79Å; E304-C308 PolarHBondContact O-SG 3.38Å; E304-C308 VanDerWaalsContact O-SG 3.38Å
305	A	94.9	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-48.8	172.8	0	0	0	0	0	111.7	Q293 F297 R301 L302 E303 Q307 C308 A309 Y329	Q293-A305 WeakPolarHBondContact CB-O 3.4Å; Q293-A305 VanDerWaalsContact O-CB 3.29Å; Q293-A305 WeakPolarHBondContact O-CB 3.43Å; F297-A305 HydrophobicContact CB-CB 4.31Å; R301-A305 PolarHBondContact O-N 3.47Å; R301-A305 VanDerWaalsContact O-N 3.08Å; L302-A305 WeakPolarHBondContact O-CB 3.29Å; L302-A305 PolarHBondContact O-N 2.87Å; E303-A305 VanDerWaalsContact C-N 3.31Å; E303-A305 PolarHBondContact O-N 3.1Å; A305-Q307 VanDerWaalsContact C-N 3.34Å; A305-Q307 PolarHBondContact O-N 2.97Å; A305-C308 PolarHBondContact O-N 3.34Å; A305-A309 WeakPolarHBondContact O-CB 2.87Å; A305-A309 PolarHBondContact O-N 3.25Å; A305-Y329 HydrophobicContact CB-CD2 4.21Å; A305-Y329 HydrophobicContact CB-CE1 4.48Å; A305-Y329 HydrophobicContact CB-CE2 3.91Å
306	L	95.9	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-44.4	175.4	177.5	57.1	0	0	0	111.2	L302 E303 C308 A309 L310 V326 Y329 R330 L333	L302-L306 WeakPolarHBondContact O-CB 3.36Å; L302-L306 PolarHBondContact O-N 2.99Å; E303-L306 PolarHBondContact O-N 3.42Å; L306-C308 PolarHBondContact O-N 3.29Å; L306-A309 PolarHBondContact O-N 2.05Å; L306-L310 HydrophobicContact CD1-CD1 3.95Å; L306-L310 HydrophobicContact CD1-CG 3.99Å; L306-L310 HydrophobicContact CG-CD1 4Å; L306-L310 HydrophobicContact CG-CG 4.47Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.4Å; L306-L310 PolarHBondContact O-N 3.47Å; L306-V326 HydrophobicContact CD1-CB 4.34Å; L306-V326 HydrophobicContact CD1-CG1 3.86Å; L306-V326 HydrophobicContact CD1-CG2 4.34Å; L306-Y329 HydrophobicContact CB-CD2 4.34Å; L306-R330 HydrophobicContact CD1-CG 4.07Å; L306-R330 HydrophobicContact CD2-CG 4.1Å; L306-L333 HydrophobicContact CB-CD1 4.05Å; L306-L333 HydrophobicContact CD2-CD1 3.72Å
307	Q	97.3	Very high	93.9	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-46.3	177.7	-153.3	-173.3	4.9	0	0	112.2	E303 E304 A305 T311 T338 R340	E303-Q307 WeakPolarHBondContact O-CB 3.14Å; E303-Q307 PolarHBondContact O-N 3.43Å; E304-Q307 PolarHBondContact O-N 3.04Å; A305-Q307 VanDerWaalsContact C-N 3.34Å; A305-Q307 PolarHBondContact O-N 2.97Å; Q307-T311 WeakPolarHBondContact O-CB 3.28Å; Q307-T311 PolarHBondContact O-N 3.48Å; Q307-T311 PolarHBondContact O-OG1 3.42Å; Q307-T338 WeakPolarHBondContact CG-O 3.3Å; Q307-R340 HydrophobicContact CG-CG 4.07Å
308	C	96.6	Very high	93.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-39.7	178.2	-73.4	0	0	0	0	112.3	L292 Q293 E304 A305 L306 T311 Y312 R340	L292-C308 HydrophobicContact CB-CB 4.25Å; Q293-C308 HydrophobicContact CB-CB 3.69Å; E304-C308 WeakPolarHBondContact O-CB 3.06Å; E304-C308 PolarHBondContact O-N 2.79Å; E304-C308 PolarHBondContact O-SG 3.38Å; E304-C308 VanDerWaalsContact O-SG 3.38Å; A305-C308 PolarHBondContact O-N 3.34Å; L306-C308 PolarHBondContact O-N 3.29Å; C308-T311 WeakPolarHBondContact O-CB 3.36Å; C308-T311 PolarHBondContact O-N 3.11Å; C308-Y312 PolarHBondContact O-N 3.21Å; C308-R340 PolarHBondContact SG-NH2 3.4Å
309	A	94.4	Very high	92.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-44.4	177.4	0	0	0	0	0	112	Q293 A305 L306 T311 Y312 L313 M322 V326 Y329	Q293-A309 HydrophobicContact CB-CB 4.09Å; Q293-A309 HydrophobicContact CG-CB 4.33Å; A305-A309 WeakPolarHBondContact O-CB 2.87Å; A305-A309 PolarHBondContact O-N 3.25Å; L306-A309 PolarHBondContact O-N 2.05Å; A309-T311 VanDerWaalsContact C-N 3.29Å; A309-T311 PolarHBondContact O-N 2.86Å; A309-Y312 PolarHBondContact O-N 2.99Å; A309-L313 PolarHBondContact O-N 3.37Å; A309-M322 HydrophobicContact CB-CG 4.26Å; A309-M322 HydrophobicContact CB-SD 3.57Å; A309-M322 VanDerWaalsContact CB-SD 3.57Å; A309-V326 HydrophobicContact CB-CG2 3.55Å; A309-Y329 HydrophobicContact CB-CD2 4.31Å; A309-Y329 HydrophobicContact CB-CE2 4.14Å
310	L	96	Very high	92.2	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-37.4	172.3	-70	171.2	0	0	0	111.9	L306 L313 L314 V326 S337 P339	L306-L310 HydrophobicContact CD1-CD1 3.95Å; L306-L310 HydrophobicContact CD1-CG 3.99Å; L306-L310 HydrophobicContact CG-CD1 4Å; L306-L310 HydrophobicContact CG-CG 4.47Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.4Å; L306-L310 PolarHBondContact O-N 3.47Å; L310-L313 PolarHBondContact O-N 3.31Å; L310-L314 PolarHBondContact O-N 3.41Å; L310-V326 HydrophobicContact CD2-CG1 3.82Å; L310-V326 HydrophobicContact CD2-CG2 4.07Å; L310-V326 HydrophobicContact CG-CG1 4.5Å; L310-V326 HydrophobicContact CG-CG2 4.28Å; L310-S337 WeakPolarHBondContact CD1-O 3.36Å; L310-P339 HydrophobicContact CB-CG 4.11Å
311	T	97.1	Very high	91.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-41	177	-56.2	0	0	0	0	112.2	Y289 Q307 C308 A309 L313 L314 F315 R340 A343	Y289-T311 HydrophobicContact CD1-CG2 3.8Å; Y289-T311 HydrophobicContact CD2-CG2 3.66Å; Y289-T311 HydrophobicContact CE1-CG2 3.76Å; Y289-T311 HydrophobicContact CE2-CG2 3.6Å; Y289-T311 HydrophobicContact CG-CG2 3.76Å; Q307-T311 WeakPolarHBondContact O-CB 3.28Å; Q307-T311 PolarHBondContact O-N 3.48Å; Q307-T311 PolarHBondContact O-OG1 3.42Å; C308-T311 WeakPolarHBondContact O-CB 3.36Å; C308-T311 PolarHBondContact O-N 3.11Å; A309-T311 VanDerWaalsContact C-N 3.29Å; A309-T311 PolarHBondContact O-N 2.86Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 3Å; T311-L314 WeakPolarHBondContact O-CB 3.29Å; T311-L314 PolarHBondContact O-N 2.77Å; T311-F315 HydrophobicContact CG2-CE2 4.43Å; T311-F315 WeakPolarHBondContact O-CD2 3.24Å; T311-R340 HydrophobicContact CG2-CB 4.27Å; T311-R340 PolarHBondContact OG1-N 3.42Å; T311-A343 HydrophobicContact CG2-CB 3.35Å
312	Y	93.8	Very high	91	Very high	5 Å²	5	42 Å²	42	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-41.8	175.2	-179	-87.9	0	0	0	111.8	P286 D290 C308 A309 L314 F315 H316 D319 M322	P286-Y312 HydrophobicContact CB-CD2 4.1Å; P286-Y312 HydrophobicContact CB-CE2 4.08Å; P286-Y312 WeakPolarHBondContact O-CD2 3.45Å; D290-Y312 HydrophobicContact CB-CD2 3.85Å; D290-Y312 HydrophobicContact CB-CE2 3.82Å; C308-Y312 PolarHBondContact O-N 3.21Å; A309-Y312 PolarHBondContact O-N 2.99Å; Y312-L314 PolarHBondContact O-N 2.05Å; Y312-F315 PolarHBondContact O-N 3.45Å; Y312-H316 HydrophobicContact CD1-CB 4.43Å; Y312-H316 AromaticContact CD1-CD2 3.93Å; Y312-H316 HydrophobicContact CE1-CB 3.96Å; Y312-H316 AromaticContact CE1-CD2 3.43Å; Y312-H316 VanDerWaalsContact CE1-CD2 3.43Å; Y312-H316 WeakPolarHBondContact CE1-CD2 3.28Å; Y312-H316 AromaticContact CE1-CG 3.96Å; Y312-H316 AromaticContact CE2-CD2 3.58Å; Y312-H316 AromaticContact CE2-NE2 3.9Å; Y312-H316 AromaticContact CZ-CD2 3.23Å; Y312-H316 AromaticContact CZ-NE2 3.82Å; Y312-H316 PolarHBondContact O-N 3.39Å; Y312-D319 HydrophobicContact CE1-CB 4.25Å; Y312-M322 HydrophobicContact CD1-CB 3.93Å; Y312-M322 HydrophobicContact CD1-CE 3.71Å; Y312-M322 HydrophobicContact CD1-CG 3.7Å; Y312-M322 HydrophobicContact CD2-CE 4.21Å; Y312-M322 HydrophobicContact CE1-CB 4.22Å; Y312-M322 HydrophobicContact CE1-CE 4.18Å; Y312-M322 HydrophobicContact CE1-CG 4.46Å; Y312-M322 HydrophobicContact CG-CE 3.71Å; Y312-M322 HydrophobicContact CG-CG 4.3Å
313	L	93.2	Very high	90.8	Very high	38 Å²	38	42.6 Å²	42.6	20%	0.199	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-18.2	178.5	-72.6	174.8	0	0	0	113.9	A309 L310 T311 F315 H316 E317 D319 M322 V326	A309-L313 PolarHBondContact O-N 3.37Å; L310-L313 PolarHBondContact O-N 3.31Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 3Å; L313-F315 VanDerWaalsContact C-N 3.26Å; L313-F315 PolarHBondContact O-N 3.43Å; L313-H316 CarbonylContact O-C 3.57Å; L313-E317 PolarHBondContact O-N 3.46Å; L313-D319 HydrophobicContact CD2-CB 4.05Å; L313-M322 HydrophobicContact CD1-CG 4.47Å; L313-M322 HydrophobicContact CD2-CB 3.9Å; L313-M322 HydrophobicContact CD2-CG 4.12Å; L313-M322 HydrophobicContact CG-CB 4.25Å; L313-M322 HydrophobicContact CG-CG 3.9Å; L313-V326 HydrophobicContact CD1-CG2 3.84Å
314	L	93.9	Very high	90.4	Very high	57 Å²	57	43.1 Å²	43.1	30%	0.298	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.1	170.9	-62.7	178.5	0	0	0	112.8	L310 T311 Y312 P339 E344 L347	L310-L314 PolarHBondContact O-N 3.41Å; T311-L314 WeakPolarHBondContact O-CB 3.29Å; T311-L314 PolarHBondContact O-N 2.77Å; Y312-L314 PolarHBondContact O-N 2.05Å; L314-P339 HydrophobicContact CD1-CB 3.54Å; L314-P339 HydrophobicContact CD1-CG 4.06Å; L314-P339 HydrophobicContact CD2-CB 4.44Å; L314-P339 HydrophobicContact CD2-CG 4.04Å; L314-P339 HydrophobicContact CG-CB 4.06Å; L314-P339 HydrophobicContact CG-CG 4.11Å; L314-E344 HydrophobicContact CD1-CG 3.59Å; L314-L347 HydrophobicContact CB-CD1 3.37Å; L314-L347 HydrophobicContact CD1-CD1 4.22Å; L314-L347 HydrophobicContact CG-CD1 4.42Å
315	F	90.3	Very high	90	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.066	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-25.7	178.8	-62.5	-90.9	0	0	0	112.3	L285 P286 Y289 T311 Y312 L313 A343 Y346 L347 W374	L285-F315 HydrophobicContact CD2-CE1 3.96Å; L285-F315 HydrophobicContact CD2-CZ 3.79Å; L285-F315 HydrophobicContact CG-CE1 4.43Å; L285-F315 HydrophobicContact CG-CZ 4.11Å; P286-F315 HydrophobicContact CB-CB 4.17Å; P286-F315 HydrophobicContact CB-CD2 4.34Å; P286-F315 HydrophobicContact CB-CG 4.2Å; P286-F315 HydrophobicContact CG-CB 3.77Å; P286-F315 HydrophobicContact CG-CD1 3.78Å; P286-F315 HydrophobicContact CG-CD2 4.19Å; P286-F315 HydrophobicContact CG-CE1 4.42Å; P286-F315 HydrophobicContact CG-CG 3.66Å; Y289-F315 HydrophobicContact CD2-CE2 4.11Å; Y289-F315 AromaticContact CE2-CE2 3.96Å; Y289-F315 HydrophobicContact CE2-CE2 3.96Å; Y289-F315 HydrophobicContact CE2-CZ 4.44Å; T311-F315 HydrophobicContact CG2-CE2 4.43Å; T311-F315 WeakPolarHBondContact O-CD2 3.24Å; Y312-F315 PolarHBondContact O-N 3.45Å; L313-F315 VanDerWaalsContact C-N 3.26Å; L313-F315 PolarHBondContact O-N 3.43Å; F315-A343 HydrophobicContact CE2-CB 4.3Å; F315-A343 HydrophobicContact CZ-CB 4.44Å; F315-Y346 HydrophobicContact CE1-CD1 4.43Å; F315-Y346 HydrophobicContact CE1-CE1 4.49Å; F315-L347 HydrophobicContact CD1-CD1 4.02Å; F315-L347 HydrophobicContact CD1-CD2 3.71Å; F315-L347 HydrophobicContact CD1-CG 4.18Å; F315-L347 HydrophobicContact CD2-CD1 4.14Å; F315-L347 HydrophobicContact CE1-CD1 3.88Å; F315-L347 HydrophobicContact CE1-CD2 3.58Å; F315-L347 HydrophobicContact CE1-CG 3.74Å; F315-L347 HydrophobicContact CE2-CD1 4Å; F315-L347 HydrophobicContact CG-CD1 4.15Å; F315-L347 HydrophobicContact CZ-CD1 3.86Å; F315-L347 HydrophobicContact CZ-CD2 4.32Å; F315-L347 HydrophobicContact CZ-CG 3.97Å; F315-W374 HydrophobicContact CD1-CD2 4.04Å; F315-W374 AromaticContact CD1-CE2 3.95Å; F315-W374 HydrophobicContact CD1-CG 4.25Å; F315-W374 HydrophobicContact CD1-CZ2 4.39Å
316	H	86.9	Confident	89.8	Confident	14 Å²	14	41 Å²	41	7%	0.065	22%	0.221	C	C	.	.	S	Bend	trans	-131.5	74.6	-174.2	-56	-68.1	0	0	0	110.7	N283 P286 Y312 L313 G318 D319 W374	N283-H316 PolarHBondContact OD1-CE1 2.9Å; N283-H316 VanDerWaalsContact OD1-CE1 3.23Å; P286-H316 WeakPolarHBondContact CB-NE2 3.44Å; Y312-H316 HydrophobicContact CD1-CB 4.43Å; Y312-H316 AromaticContact CD1-CD2 3.93Å; Y312-H316 HydrophobicContact CE1-CB 3.96Å; Y312-H316 AromaticContact CE1-CD2 3.43Å; Y312-H316 VanDerWaalsContact CE1-CD2 3.43Å; Y312-H316 WeakPolarHBondContact CE1-CD2 3.28Å; Y312-H316 AromaticContact CE1-CG 3.96Å; Y312-H316 AromaticContact CE2-CD2 3.58Å; Y312-H316 AromaticContact CE2-NE2 3.9Å; Y312-H316 AromaticContact CZ-CD2 3.23Å; Y312-H316 AromaticContact CZ-NE2 3.82Å; Y312-H316 PolarHBondContact O-N 3.39Å; L313-H316 CarbonylContact O-C 3.57Å; H316-G318 PolarHBondContact O-N 3.09Å; H316-D319 HydrophobicContact CB-CB 4.25Å; H316-D319 PolarHBondContact O-N 2.95Å; H316-W374 PolarHBondContact CE1-O 2.88Å; H316-W374 PolarHBondContact ND1-O 3.32Å
317	E	84.4	Confident	89.6	Confident	184 Å²	184	44.9 Å²	44.9	86%	0.86	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	124	175.4	-68	-171.9	176.1	0	0	110.4	L313	L313-E317 PolarHBondContact O-N 3.46Å
318	G	79.7	Confident	89.2	Confident	70 Å²	70	45 Å²	45	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	16.2	178	0	0	0	0	0	116	H316 E320	H316-G318 PolarHBondContact O-N 3.09Å; G318-E320 PolarHBondContact O-N 3.23Å
319	D	83	Confident	88.9	Confident	28 Å²	28	45 Å²	45	15%	0.15	24%	0.242	C	C	.	.			trans	-65.1	101.8	167.2	-170.4	-74.1	0	0	0	110.2	Y312 L313 H316 F321 M322 A323 R385	Y312-D319 HydrophobicContact CE1-CB 4.25Å; L313-D319 HydrophobicContact CD2-CB 4.05Å; H316-D319 HydrophobicContact CB-CB 4.25Å; H316-D319 PolarHBondContact O-N 2.95Å; D319-F321 VanDerWaalsContact C-N 3.26Å; D319-F321 PolarHBondContact O-N 3.3Å; D319-F321 PolarHBondContact OD1-N 3.17Å; D319-M322 HydrophobicContact CB-CB 4.21Å; D319-M322 PolarHBondContact O-N 3.42Å; D319-M322 WeakPolarHBondContact OD1-CB 3.33Å; D319-M322 PolarHBondContact OD1-N 2.88Å; D319-A323 WeakPolarHBondContact O-CB 3.32Å; D319-A323 PolarHBondContact O-N 2.85Å; D319-R385 IonicContact OD1-NH2 3.12Å; D319-R385 PolarHBondContact OD1-NH2 3.12Å; D319-R385 VanDerWaalsContact OD1-NH2 3.12Å
320	E	83.4	Confident	88.8	Confident	153 Å²	153	49 Å²	49	72%	0.715	26%	0.257	S	S	*	.	H	α-helix	trans	-56.6	-40.7	-172.4	-66.3	-173.8	161.2	0	0	112.4	G318 A323 D324	G318-E320 PolarHBondContact O-N 3.23Å; E320-A323 WeakPolarHBondContact O-CB 3.37Å; E320-A323 PolarHBondContact O-N 3.44Å; E320-D324 PolarHBondContact O-N 2.84Å
321	F	79.9	Confident	88.5	Confident	112 Å²	112	55.4 Å²	55.4	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-80.8	-32.4	-174	-66.4	-92	0	0	0	113.4	D319 A323 D324 N325 R385	D319-F321 VanDerWaalsContact C-N 3.26Å; D319-F321 PolarHBondContact O-N 3.3Å; D319-F321 PolarHBondContact OD1-N 3.17Å; F321-A323 VanDerWaalsContact C-N 3.28Å; F321-D324 PolarHBondContact O-N 2.97Å; F321-N325 PolarHBondContact O-N 2.82Å; F321-N325 VanDerWaalsContact O-N 3.11Å; F321-R385 HydrophobicContact CD1-CG 4.48Å
322	M	85.4	Confident	88.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-33.7	170	-170.2	62.6	74.8	0	0	110.2	D290 Q293 A309 Y312 L313 D319 N325 V326	D290-M322 HydrophobicContact CB-CE 4.25Å; D290-M322 VanDerWaalsContact OD1-CE 3.26Å; D290-M322 WeakPolarHBondContact OD1-CE 3.44Å; Q293-M322 HydrophobicContact CG-CE 3.79Å; Q293-M322 HydrophobicContact CG-SD 3.89Å; A309-M322 HydrophobicContact CB-CG 4.26Å; A309-M322 HydrophobicContact CB-SD 3.57Å; A309-M322 VanDerWaalsContact CB-SD 3.57Å; Y312-M322 HydrophobicContact CD1-CB 3.93Å; Y312-M322 HydrophobicContact CD1-CE 3.71Å; Y312-M322 HydrophobicContact CD1-CG 3.7Å; Y312-M322 HydrophobicContact CD2-CE 4.21Å; Y312-M322 HydrophobicContact CE1-CB 4.22Å; Y312-M322 HydrophobicContact CE1-CE 4.18Å; Y312-M322 HydrophobicContact CE1-CG 4.46Å; Y312-M322 HydrophobicContact CG-CE 3.71Å; Y312-M322 HydrophobicContact CG-CG 4.3Å; L313-M322 HydrophobicContact CD1-CG 4.47Å; L313-M322 HydrophobicContact CD2-CB 3.9Å; L313-M322 HydrophobicContact CD2-CG 4.12Å; L313-M322 HydrophobicContact CG-CB 4.25Å; L313-M322 HydrophobicContact CG-CG 3.9Å; D319-M322 HydrophobicContact CB-CB 4.21Å; D319-M322 PolarHBondContact O-N 3.42Å; D319-M322 WeakPolarHBondContact OD1-CB 3.33Å; D319-M322 PolarHBondContact OD1-N 2.88Å; M322-N325 PolarHBondContact O-N 3.17Å; M322-N325 HydrophobicContact SD-CB 4.25Å; M322-V326 WeakPolarHBondContact O-CG2 3.47Å; M322-V326 PolarHBondContact O-N 2.82Å
323	A	88.8	Confident	87.9	Confident	35 Å²	35	60.9 Å²	60.9	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-44	170.7	0	0	0	0	0	111.8	D319 E320 F321 N325 V326 D327	D319-A323 WeakPolarHBondContact O-CB 3.32Å; D319-A323 PolarHBondContact O-N 2.85Å; E320-A323 WeakPolarHBondContact O-CB 3.37Å; E320-A323 PolarHBondContact O-N 3.44Å; F321-A323 VanDerWaalsContact C-N 3.28Å; A323-N325 VanDerWaalsContact C-N 3.32Å; A323-N325 PolarHBondContact O-N 2.84Å; A323-V326 WeakPolarHBondContact O-CB 3.41Å; A323-V326 PolarHBondContact O-N 2.91Å; A323-V326 VanDerWaalsContact O-N 3.15Å; A323-D327 PolarHBondContact O-N 2.79Å
324	D	87.4	Confident	87.4	Confident	71 Å²	71	65.3 Å²	65.3	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-42.2	173.5	-75.6	-8.7	0	0	0	112.1	E320 F321 D327 H328	E320-D324 PolarHBondContact O-N 2.84Å; F321-D324 PolarHBondContact O-N 2.97Å; D324-D327 PolarHBondContact O-N 3.28Å; D324-H328 WeakPolarHBondContact O-CB 3.04Å; D324-H328 PolarHBondContact O-N 2.66Å
325	N	87.7	Confident	86.8	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-42.8	175.9	-70.9	-15.5	0	0	0	111.7	F321 M322 A323 H328 Y329	F321-N325 PolarHBondContact O-N 2.82Å; F321-N325 VanDerWaalsContact O-N 3.11Å; M322-N325 PolarHBondContact O-N 3.17Å; M322-N325 HydrophobicContact SD-CB 4.25Å; A323-N325 VanDerWaalsContact C-N 3.32Å; A323-N325 PolarHBondContact O-N 2.84Å; N325-H328 WeakPolarHBondContact O-CB 3.38Å; N325-H328 PolarHBondContact O-N 2.79Å; N325-Y329 HydrophobicContact CB-CE2 4.09Å; N325-Y329 WeakPolarHBondContact O-CD2 3.09Å; N325-Y329 PolarHBondContact O-N 2.82Å
326	V	91.5	Very high	86.6	Confident	2 Å²	2	71 Å²	71	1%	0.012	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-46.8	176.2	164.5	0	0	0	0	110.8	L306 A309 L310 L313 M322 A323 H328 Y329 R330	L306-V326 HydrophobicContact CD1-CB 4.34Å; L306-V326 HydrophobicContact CD1-CG1 3.86Å; L306-V326 HydrophobicContact CD1-CG2 4.34Å; A309-V326 HydrophobicContact CB-CG2 3.55Å; L310-V326 HydrophobicContact CD2-CG1 3.82Å; L310-V326 HydrophobicContact CD2-CG2 4.07Å; L310-V326 HydrophobicContact CG-CG1 4.5Å; L310-V326 HydrophobicContact CG-CG2 4.28Å; L313-V326 HydrophobicContact CD1-CG2 3.84Å; M322-V326 WeakPolarHBondContact O-CG2 3.47Å; M322-V326 PolarHBondContact O-N 2.82Å; A323-V326 WeakPolarHBondContact O-CB 3.41Å; A323-V326 PolarHBondContact O-N 2.91Å; A323-V326 VanDerWaalsContact O-N 3.15Å; V326-H328 VanDerWaalsContact C-N 3.34Å; V326-H328 PolarHBondContact O-N 2.91Å; V326-Y329 PolarHBondContact O-N 2.77Å; V326-R330 HydrophobicContact CG1-CG 4.45Å; V326-R330 VanDerWaalsContact CG1-CZ 3.45Å; V326-R330 WeakPolarHBondContact O-CB 3.01Å; V326-R330 WeakPolarHBondContact O-CG 3.46Å; V326-R330 PolarHBondContact O-N 2.91Å
327	D	90.3	Very high	86.8	Confident	81 Å²	81	71.3 Å²	71.3	43%	0.433	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-41.9	179.1	-73.7	-15.7	0	0	0	111	A323 D324 Y329 R330 E331	A323-D327 PolarHBondContact O-N 2.79Å; D324-D327 PolarHBondContact O-N 3.28Å; D327-Y329 PolarHBondContact O-N 3.38Å; D327-R330 PolarHBondContact O-N 2.97Å; D327-R330 IonicContact OD1-NH1 3.46Å; D327-E331 WeakPolarHBondContact O-CG 3.46Å; D327-E331 PolarHBondContact O-N 2.73Å
328	H	88.8	Confident	87.2	Confident	58 Å²	58	67 Å²	67	27%	0.269	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-46.4	173.2	-178.4	65.6	0	0	0	112.7	F297 D324 N325 V326 E331 I332	F297-H328 AromaticContact CE2-NE2 3.81Å; D324-H328 WeakPolarHBondContact O-CB 3.04Å; D324-H328 PolarHBondContact O-N 2.66Å; N325-H328 WeakPolarHBondContact O-CB 3.38Å; N325-H328 PolarHBondContact O-N 2.79Å; V326-H328 VanDerWaalsContact C-N 3.34Å; V326-H328 PolarHBondContact O-N 2.91Å; H328-E331 PolarHBondContact O-N 3.42Å; H328-I332 WeakPolarHBondContact O-CG1 3.45Å; H328-I332 PolarHBondContact O-N 3.4Å
329	Y	91.1	Very high	88	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-39.6	179.4	-58.7	-30.8	0	0	0	112.2	Q293 F297 L302 A305 L306 A309 N325 V326 D327 I332 L333 I386	Q293-Y329 PolarHBondContact OE1-OH 3.45Å; F297-Y329 HydrophobicContact CB-CE1 3.99Å; F297-Y329 HydrophobicContact CD2-CD1 4.18Å; F297-Y329 AromaticContact CD2-CE1 3.44Å; F297-Y329 HydrophobicContact CD2-CE1 3.44Å; F297-Y329 VanDerWaalsContact CD2-CE1 3.44Å; F297-Y329 HydrophobicContact CE2-CE1 4.1Å; F297-Y329 AromaticContact CG-CE1 3.88Å; F297-Y329 HydrophobicContact CG-CE1 3.88Å; L302-Y329 HydrophobicContact CD2-CD1 4.25Å; A305-Y329 HydrophobicContact CB-CD2 4.21Å; A305-Y329 HydrophobicContact CB-CE1 4.48Å; A305-Y329 HydrophobicContact CB-CE2 3.91Å; L306-Y329 HydrophobicContact CB-CD2 4.34Å; A309-Y329 HydrophobicContact CB-CD2 4.31Å; A309-Y329 HydrophobicContact CB-CE2 4.14Å; N325-Y329 HydrophobicContact CB-CE2 4.09Å; N325-Y329 WeakPolarHBondContact O-CD2 3.09Å; N325-Y329 PolarHBondContact O-N 2.82Å; V326-Y329 PolarHBondContact O-N 2.77Å; D327-Y329 PolarHBondContact O-N 3.38Å; Y329-I332 PolarHBondContact O-N 2.94Å; Y329-L333 WeakPolarHBondContact O-CB 3.26Å; Y329-L333 WeakPolarHBondContact O-CG 3.5Å; Y329-L333 PolarHBondContact O-N 2.83Å; Y329-I386 HydrophobicContact CE1-CD1 3.84Å
330	R	91.9	Very high	88.6	Confident	83 Å²	83	64.7 Å²	64.7	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-41.5	176.3	-77.7	171.7	169.8	162.2	-4.5	112.8	L306 V326 D327 I332 L333 T334 D336	L306-R330 HydrophobicContact CD1-CG 4.07Å; L306-R330 HydrophobicContact CD2-CG 4.1Å; V326-R330 HydrophobicContact CG1-CG 4.45Å; V326-R330 VanDerWaalsContact CG1-CZ 3.45Å; V326-R330 WeakPolarHBondContact O-CB 3.01Å; V326-R330 WeakPolarHBondContact O-CG 3.46Å; V326-R330 PolarHBondContact O-N 2.91Å; D327-R330 PolarHBondContact O-N 2.97Å; D327-R330 IonicContact OD1-NH1 3.46Å; R330-I332 PolarHBondContact O-N 2.86Å; R330-L333 PolarHBondContact O-N 2.92Å; R330-T334 PolarHBondContact O-N 3.47Å; R330-D336 IonicContact CZ-OD1 3.13Å; R330-D336 IonicContact CZ-OD2 2.91Å; R330-D336 IonicContact NE-OD1 3.6Å; R330-D336 PolarHBondContact NE-OD1 3.43Å; R330-D336 IonicContact NE-OD2 3.66Å; R330-D336 IonicContact NH2-OD1 2.81Å; R330-D336 PolarHBondContact NH2-OD1 2.69Å; R330-D336 VanDerWaalsContact NH2-OD1 3.13Å; R330-D336 IonicContact NH2-OD2 3.57Å; R330-D336 PolarHBondContact NH2-OD2 3.1Å
331	E	89.8	Confident	89.2	Confident	154 Å²	154	62.4 Å²	62.4	72%	0.72	32%	0.322	S	S	*	.	H	α-helix	trans	-58.3	-37.4	176.9	-77.9	-176.8	173.3	0	0	111.8	D327 H328	D327-E331 WeakPolarHBondContact O-CG 3.46Å; D327-E331 PolarHBondContact O-N 2.73Å; H328-E331 PolarHBondContact O-N 3.42Å
332	I	89.9	Confident	90	Very high	85 Å²	85	61.9 Å²	61.9	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-79.9	-43.4	-179.6	-58.7	168.1	0	0	0	111.8	L302 H328 Y329 R330	L302-I332 HydrophobicContact CD1-CB 4.1Å; L302-I332 HydrophobicContact CD1-CD1 4.41Å; L302-I332 HydrophobicContact CD1-CG2 3.4Å; H328-I332 WeakPolarHBondContact O-CG1 3.45Å; H328-I332 PolarHBondContact O-N 3.4Å; Y329-I332 PolarHBondContact O-N 2.94Å; R330-I332 PolarHBondContact O-N 2.86Å
333	L	89.6	Confident	90.6	Very high	34 Å²	34	61.9 Å²	61.9	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-76.1	-24.4	-175.3	-74.6	166.8	0	0	0	113.6	L302 L306 Y329 R330 H335	L302-L333 HydrophobicContact CB-CD1 4.12Å; L302-L333 HydrophobicContact CB-CD2 3.89Å; L302-L333 HydrophobicContact CB-CG 4.02Å; L306-L333 HydrophobicContact CB-CD1 4.05Å; L306-L333 HydrophobicContact CD2-CD1 3.72Å; Y329-L333 WeakPolarHBondContact O-CB 3.26Å; Y329-L333 WeakPolarHBondContact O-CG 3.5Å; Y329-L333 PolarHBondContact O-N 2.83Å; R330-L333 PolarHBondContact O-N 2.92Å; L333-H335 PolarHBondContact O-N 3.23Å; L333-H335 VanDerWaalsContact O-N 3.08Å
334	T	81.9	Confident	90.9	Very high	132 Å²	132	63.8 Å²	63.8	81%	0.81	32%	0.324	S	S	*	.	S	Bend	trans	60.8	8.8	-177	69.7	0	0	0	0	115.4	R330	R330-T334 PolarHBondContact O-N 3.47Å
335	H	81.2	Confident	91.3	Very high	103 Å²	103	67.6 Å²	67.6	48%	0.477	33%	0.333	S	S	.	.	S	Bend	trans	-142.8	165.6	168.2	67.8	72.5	0	0	0	109.7	E303 L333	E303-H335 IonicContact OE1-CE1 2.73Å; E303-H335 IonicContact OE2-CE1 3.79Å; E303-H335 PolarHBondContact OE2-CE1 3.25Å; E303-H335 IonicContact OE2-ND1 3.3Å; E303-H335 IonicContact OE2-NE2 2.88Å; L333-H335 PolarHBondContact O-N 3.23Å; L333-H335 VanDerWaalsContact O-N 3.08Å
336	D	85.4	Confident	91.8	Very high	87 Å²	87	67.7 Å²	67.7	47%	0.465	33%	0.333	S	S	.	.			trans	-95.6	166.7	179.3	-152.4	6.1	0	0	0	111.3	R330	R330-D336 IonicContact CZ-OD1 3.13Å; R330-D336 IonicContact CZ-OD2 2.91Å; R330-D336 IonicContact NE-OD1 3.6Å; R330-D336 PolarHBondContact NE-OD1 3.43Å; R330-D336 IonicContact NE-OD2 3.66Å; R330-D336 IonicContact NH2-OD1 2.81Å; R330-D336 PolarHBondContact NH2-OD1 2.69Å; R330-D336 VanDerWaalsContact NH2-OD1 3.13Å; R330-D336 IonicContact NH2-OD2 3.57Å; R330-D336 PolarHBondContact NH2-OD2 3.1Å
337	S	90.8	Very high	91.9	Very high	22 Å²	22	68 Å²	68	15%	0.154	33%	0.334	C	S	.	.			trans	-124.1	175.4	170.9	-151.9	0	0	0	0	109.9	E303 L310	E303-S337 VanDerWaalsContact OE1-CB 3.31Å; E303-S337 WeakPolarHBondContact OE1-CB 3.32Å; E303-S337 PolarHBondContact OE1-OG 2.81Å; L310-S337 WeakPolarHBondContact CD1-O 3.36Å
338	T	93.3	Very high	92.2	Very high	94 Å²	94	67.9 Å²	67.9	58%	0.577	34%	0.337	S	S	*	.			trans	-112.5	153.5	174.2	57.9	0	0	0	0	109.9	Q307	Q307-T338 WeakPolarHBondContact CG-O 3.3Å
339	P	96	Very high	92.5	Very high	22 Å²	22	68.2 Å²	68.2	14%	0.143	34%	0.336	C	S	.	.			trans	-53.3	165.4	168.3	-22	31.8	0	0	0	112.8	L310 L314 E341 E344	L310-P339 HydrophobicContact CB-CG 4.11Å; L314-P339 HydrophobicContact CD1-CB 3.54Å; L314-P339 HydrophobicContact CD1-CG 4.06Å; L314-P339 HydrophobicContact CD2-CB 4.44Å; L314-P339 HydrophobicContact CD2-CG 4.04Å; L314-P339 HydrophobicContact CG-CB 4.06Å; L314-P339 HydrophobicContact CG-CG 4.11Å; P339-E341 PolarHBondContact O-N 2.87Å; P339-E344 HydrophobicContact CB-CG 3.97Å
340	R	96.9	Very high	92.6	Very high	27 Å²	27	68.3 Å²	68.3	10%	0.102	34%	0.336	C	S	.	.			trans	-69.5	129.6	175.1	-69	-165.6	-176	-166.4	-2.4	111.1	E214 Q307 C308 T311 E342 A343 E344	E214-R340 IonicContact OE1-CZ 3.23Å; E214-R340 IonicContact OE1-NH1 2.87Å; E214-R340 PolarHBondContact OE1-NH1 3.15Å; E214-R340 IonicContact OE1-NH2 3.1Å; E214-R340 PolarHBondContact OE1-NH2 3.33Å; E214-R340 IonicContact OE2-CZ 3.73Å; E214-R340 IonicContact OE2-NH1 2.83Å; E214-R340 PolarHBondContact OE2-NH1 2.82Å; E214-R340 IonicContact OE2-NH2 2.8Å; Q307-R340 HydrophobicContact CG-CG 4.07Å; C308-R340 PolarHBondContact SG-NH2 3.4Å; T311-R340 HydrophobicContact CG2-CB 4.27Å; T311-R340 PolarHBondContact OG1-N 3.42Å; R340-E342 VanDerWaalsContact C-N 3.25Å; R340-E342 PolarHBondContact O-N 3.33Å; R340-A343 HydrophobicContact CB-CB 4.47Å; R340-A343 PolarHBondContact O-N 3.24Å; R340-E344 PolarHBondContact O-N 2.94Å
341	E	96.6	Very high	92.7	Very high	104 Å²	104	69.4 Å²	69.4	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-36.4	-176.8	-175.3	177.7	-157.4	0	0	112.1	P339 A343 E344 R345	P339-E341 PolarHBondContact O-N 2.87Å; E341-A343 PolarHBondContact O-N 3.1Å; E341-E344 PolarHBondContact O-N 3.37Å; E341-R345 VanDerWaalsContact CD-CZ 3.42Å; E341-R345 HydrophobicContact CG-CG 4.36Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 VanDerWaalsContact O-CG 3.26Å; E341-R345 WeakPolarHBondContact O-CG 3.24Å; E341-R345 PolarHBondContact O-N 3.11Å; E341-R345 IonicContact OE1-CZ 3.29Å; E341-R345 IonicContact OE1-NE 2.71Å; E341-R345 PolarHBondContact OE1-NE 3.16Å; E341-R345 IonicContact OE1-NH2 3.78Å; E341-R345 PolarHBondContact OE1-NH2 2.86Å; E341-R345 IonicContact OE2-CZ 2.68Å; E341-R345 IonicContact OE2-NH2 3.21Å; E341-R345 PolarHBondContact OE2-NH2 3.06Å
342	E	96.3	Very high	93	Very high	101 Å²	101	66.6 Å²	66.6	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.6	-64.6	82.3	177.6	0	0	112.4	Y221 R340 Y346	Y221-E342 HydrophobicContact CD2-CB 4.43Å; Y221-E342 HydrophobicContact CE1-CB 4.43Å; Y221-E342 HydrophobicContact CE2-CB 3.94Å; R340-E342 VanDerWaalsContact C-N 3.25Å; R340-E342 PolarHBondContact O-N 3.33Å; E342-Y346 VanDerWaalsContact O-CB 3.27Å; E342-Y346 WeakPolarHBondContact O-CB 3.23Å; E342-Y346 PolarHBondContact O-N 3.01Å
343	A	96.6	Very high	93.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-72.3	-40.6	177.7	0	0	0	0	0	111.7	Y221 Y289 T311 F315 R340 E341 Y346 L347	Y221-A343 WeakPolarHBondContact OH-CA 3.21Å; Y289-A343 HydrophobicContact CE2-CB 4.25Å; T311-A343 HydrophobicContact CG2-CB 3.35Å; F315-A343 HydrophobicContact CE2-CB 4.3Å; F315-A343 HydrophobicContact CZ-CB 4.44Å; R340-A343 HydrophobicContact CB-CB 4.47Å; R340-A343 PolarHBondContact O-N 3.24Å; E341-A343 PolarHBondContact O-N 3.1Å; A343-Y346 WeakPolarHBondContact O-CB 3.19Å; A343-Y346 PolarHBondContact O-N 2.86Å; A343-L347 PolarHBondContact O-N 2.97Å
344	E	96.4	Very high	93.3	Very high	76 Å²	76	63.3 Å²	63.3	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-47.2	174.3	-70.8	-177.2	120.1	0	0	111.6	L314 P339 R340 E341 Y346 L347 T348	L314-E344 HydrophobicContact CD1-CG 3.59Å; P339-E344 HydrophobicContact CB-CG 3.97Å; R340-E344 PolarHBondContact O-N 2.94Å; E341-E344 PolarHBondContact O-N 3.37Å; E344-Y346 VanDerWaalsContact C-N 3.33Å; E344-Y346 PolarHBondContact O-N 3.36Å; E344-L347 PolarHBondContact O-N 3.42Å; E344-T348 WeakPolarHBondContact O-CB 3.39Å; E344-T348 PolarHBondContact O-N 3.48Å; E344-T348 PolarHBondContact O-OG1 3.11Å
345	R	96.3	Very high	93.8	Very high	151 Å²	151	63 Å²	63	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-41.3	175.8	-72.7	173.7	-178.9	175.9	2.2	111.6	E341 R349	E341-R345 VanDerWaalsContact CD-CZ 3.42Å; E341-R345 HydrophobicContact CG-CG 4.36Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 VanDerWaalsContact O-CG 3.26Å; E341-R345 WeakPolarHBondContact O-CG 3.24Å; E341-R345 PolarHBondContact O-N 3.11Å; E341-R345 IonicContact OE1-CZ 3.29Å; E341-R345 IonicContact OE1-NE 2.71Å; E341-R345 PolarHBondContact OE1-NE 3.16Å; E341-R345 IonicContact OE1-NH2 3.78Å; E341-R345 PolarHBondContact OE1-NH2 2.86Å; E341-R345 IonicContact OE2-CZ 2.68Å; E341-R345 IonicContact OE2-NH2 3.21Å; E341-R345 PolarHBondContact OE2-NH2 3.06Å; R345-R349 VanDerWaalsContact O-CB 3.29Å; R345-R349 WeakPolarHBondContact O-CB 3.35Å; R345-R349 PolarHBondContact O-N 2.92Å
346	Y	96.3	Very high	94.4	Very high	6 Å²	6	61.9 Å²	61.9	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-50.3	176.8	177.4	-82.1	0	0	0	111.6	Y220 Y221 V268 L285 F315 E342 A343 E344 R349 H350	Y220-Y346 HydrophobicContact CE1-CE2 4.42Å; Y221-Y346 HydrophobicContact CE1-CD2 4.07Å; Y221-Y346 HydrophobicContact CE1-CG 4.33Å; V268-Y346 WeakPolarHBondContact CB-OH 3.46Å; V268-Y346 VanDerWaalsContact CG2-OH 3.3Å; V268-Y346 WeakPolarHBondContact CG2-OH 3.41Å; L285-Y346 HydrophobicContact CD2-CD1 4.04Å; L285-Y346 HydrophobicContact CD2-CE1 3.87Å; L285-Y346 HydrophobicContact CD2-CE2 4.36Å; L285-Y346 HydrophobicContact CD2-CG 4.4Å; F315-Y346 HydrophobicContact CE1-CD1 4.43Å; F315-Y346 HydrophobicContact CE1-CE1 4.49Å; E342-Y346 VanDerWaalsContact O-CB 3.27Å; E342-Y346 WeakPolarHBondContact O-CB 3.23Å; E342-Y346 PolarHBondContact O-N 3.01Å; A343-Y346 WeakPolarHBondContact O-CB 3.19Å; A343-Y346 PolarHBondContact O-N 2.86Å; E344-Y346 VanDerWaalsContact C-N 3.33Å; E344-Y346 PolarHBondContact O-N 3.36Å; Y346-R349 WeakPolarHBondContact O-CB 3.1Å; Y346-R349 PolarHBondContact O-N 3.38Å; Y346-H350 HydrophobicContact CE1-CB 4.43Å; Y346-H350 WeakPolarHBondContact O-CB 3.46Å; Y346-H350 PolarHBondContact O-N 2.94Å
347	L	94.9	Very high	94.6	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-42.4	-178.1	-80.9	171.1	0	0	0	112.3	L314 F315 A343 E344 R349 H350 Q351 W374	L314-L347 HydrophobicContact CB-CD1 3.37Å; L314-L347 HydrophobicContact CD1-CD1 4.22Å; L314-L347 HydrophobicContact CG-CD1 4.42Å; F315-L347 HydrophobicContact CD1-CD1 4.02Å; F315-L347 HydrophobicContact CD1-CD2 3.71Å; F315-L347 HydrophobicContact CD1-CG 4.18Å; F315-L347 HydrophobicContact CD2-CD1 4.14Å; F315-L347 HydrophobicContact CE1-CD1 3.88Å; F315-L347 HydrophobicContact CE1-CD2 3.58Å; F315-L347 HydrophobicContact CE1-CG 3.74Å; F315-L347 HydrophobicContact CE2-CD1 4Å; F315-L347 HydrophobicContact CG-CD1 4.15Å; F315-L347 HydrophobicContact CZ-CD1 3.86Å; F315-L347 HydrophobicContact CZ-CD2 4.32Å; F315-L347 HydrophobicContact CZ-CG 3.97Å; A343-L347 PolarHBondContact O-N 2.97Å; E344-L347 PolarHBondContact O-N 3.42Å; L347-R349 VanDerWaalsContact C-N 3.27Å; L347-R349 PolarHBondContact O-N 3.47Å; L347-H350 PolarHBondContact O-N 3.11Å; L347-Q351 WeakPolarHBondContact O-CB 3.45Å; L347-Q351 VanDerWaalsContact O-CG 3.3Å; L347-Q351 WeakPolarHBondContact O-CG 3.48Å; L347-Q351 PolarHBondContact O-N 2.87Å; L347-W374 HydrophobicContact CD2-CH2 3.26Å; L347-W374 HydrophobicContact CD2-CZ2 3.63Å; L347-W374 HydrophobicContact CD2-CZ3 3.81Å
348	T	95.4	Very high	94.5	Very high	79 Å²	79	60.9 Å²	60.9	49%	0.485	30%	0.296	S	S	.	.	H	α-helix	trans	-57	-45.5	175.2	-57.6	0	0	0	0	110.6	E344 L352	E344-T348 WeakPolarHBondContact O-CB 3.39Å; E344-T348 PolarHBondContact O-N 3.48Å; E344-T348 PolarHBondContact O-OG1 3.11Å; T348-L352 HydrophobicContact CG2-CD1 4.32Å; T348-L352 VanDerWaalsContact O-CG 3.29Å; T348-L352 WeakPolarHBondContact O-CG 3.36Å; T348-L352 PolarHBondContact O-N 3.3Å
349	R	95.4	Very high	94.2	Very high	64 Å²	64	61.8 Å²	61.8	24%	0.242	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-51.3	175.5	178.5	-166.7	70.2	-174.5	7.6	111	D224 R228 R345 Y346 L347 Q351 L352 E353	D224-R349 IonicContact OD1-NH2 2.74Å; D224-R349 PolarHBondContact OD1-NH2 2.71Å; D224-R349 IonicContact OD2-CZ 3.28Å; D224-R349 VanDerWaalsContact OD2-CZ 3.3Å; D224-R349 IonicContact OD2-NH1 3.21Å; D224-R349 PolarHBondContact OD2-NH1 3.3Å; D224-R349 IonicContact OD2-NH2 2.66Å; D224-R349 PolarHBondContact OD2-NH2 2.61Å; R228-R349 VanDerWaalsContact NH1-CZ 3.27Å; R228-R349 VanDerWaalsContact NH1-NE 3.15Å; R345-R349 VanDerWaalsContact O-CB 3.29Å; R345-R349 WeakPolarHBondContact O-CB 3.35Å; R345-R349 PolarHBondContact O-N 2.92Å; Y346-R349 WeakPolarHBondContact O-CB 3.1Å; Y346-R349 PolarHBondContact O-N 3.38Å; L347-R349 VanDerWaalsContact C-N 3.27Å; L347-R349 PolarHBondContact O-N 3.47Å; R349-Q351 VanDerWaalsContact C-N 3.32Å; R349-Q351 PolarHBondContact O-N 3.43Å; R349-L352 PolarHBondContact O-N 3.41Å; R349-E353 WeakPolarHBondContact CD-OE1 3.25Å; R349-E353 HydrophobicContact CG-CG 4.39Å; R349-E353 WeakPolarHBondContact CG-OE1 3.04Å; R349-E353 IonicContact NE-OE1 3.48Å; R349-E353 VanDerWaalsContact O-CG 3.23Å; R349-E353 WeakPolarHBondContact O-CG 3.49Å; R349-E353 PolarHBondContact O-N 2.84Å
350	H	94.4	Very high	93.6	Very high	3 Å²	3	61 Å²	61	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-39	-176.3	-165.6	74.7	0	0	0	112.6	H265 Y346 L347 E353 L354 E370 W374	H265-H350 AromaticContact CD2-CE1 3.87Å; H265-H350 AromaticContact CE1-CD2 3.64Å; H265-H350 AromaticContact CE1-CE1 3.04Å; H265-H350 PolarHBondContact CE1-CE1 2.89Å; H265-H350 AromaticContact CE1-CG 3.75Å; H265-H350 AromaticContact CE1-ND1 3.35Å; H265-H350 PolarHBondContact CE1-ND1 3.19Å; H265-H350 AromaticContact CE1-NE2 3.27Å; H265-H350 PolarHBondContact CE1-NE2 3.01Å; H265-H350 VanDerWaalsContact CE1-NE2 3.27Å; H265-H350 PolarHBondContact CE1-O 3.19Å; H265-H350 AromaticContact CG-CE1 3.9Å; H265-H350 AromaticContact ND1-CE1 3.42Å; H265-H350 PolarHBondContact ND1-CE1 2.77Å; H265-H350 AromaticContact ND1-ND1 3.44Å; H265-H350 PolarHBondContact ND1-ND1 2.84Å; H265-H350 AromaticContact NE2-CE1 3.34Å; H265-H350 PolarHBondContact NE2-CE1 3.38Å; H265-H350 VanDerWaalsContact NE2-CE1 3.34Å; H265-H350 AromaticContact NE2-NE2 3.46Å; H265-H350 PolarHBondContact NE2-NE2 3.37Å; Y346-H350 HydrophobicContact CE1-CB 4.43Å; Y346-H350 WeakPolarHBondContact O-CB 3.46Å; Y346-H350 PolarHBondContact O-N 2.94Å; L347-H350 PolarHBondContact O-N 3.11Å; H350-E353 PolarHBondContact O-N 3.38Å; H350-L354 PolarHBondContact O-N 3.16Å; H350-E370 IonicContact NE2-OE1 3.47Å; H350-W374 AromaticContact CD2-CH2 3.36Å; H350-W374 WeakPolarHBondContact CD2-CH2 3.33Å; H350-W374 AromaticContact CD2-CZ2 3.35Å; H350-W374 WeakPolarHBondContact CD2-CZ2 3.11Å; H350-W374 AromaticContact NE2-CZ2 3.66Å
351	Q	93.5	Very high	92.8	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-45.3	175	-72.9	172.3	-9.1	0	0	111.9	L347 R349 E353 L354 E355	L347-Q351 WeakPolarHBondContact O-CB 3.45Å; L347-Q351 VanDerWaalsContact O-CG 3.3Å; L347-Q351 WeakPolarHBondContact O-CG 3.48Å; L347-Q351 PolarHBondContact O-N 2.87Å; R349-Q351 VanDerWaalsContact C-N 3.32Å; R349-Q351 PolarHBondContact O-N 3.43Å; Q351-E353 VanDerWaalsContact C-N 3.29Å; Q351-E353 PolarHBondContact O-N 3.32Å; Q351-L354 WeakPolarHBondContact O-CB 3.46Å; Q351-L354 PolarHBondContact O-N 3.3Å; Q351-E355 WeakPolarHBondContact O-CG 3.42Å; Q351-E355 PolarHBondContact O-N 3.25Å
352	L	95.1	Very high	92	Very high	96 Å²	96	64.1 Å²	64.1	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-36.3	176.4	-69.6	169.9	0	0	0	112.1	T348 R349 L356	T348-L352 HydrophobicContact CG2-CD1 4.32Å; T348-L352 VanDerWaalsContact O-CG 3.29Å; T348-L352 WeakPolarHBondContact O-CG 3.36Å; T348-L352 PolarHBondContact O-N 3.3Å; R349-L352 PolarHBondContact O-N 3.41Å; L352-L356 WeakPolarHBondContact O-CG 3.14Å; L352-L356 PolarHBondContact O-N 2.94Å; L352-L356 VanDerWaalsContact O-N 3.14Å
353	E	94.3	Very high	90.9	Very high	14 Å²	14	64.8 Å²	64.8	7%	0.065	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-46	175.7	-68.4	170.8	173.8	0	0	111.4	R228 L261 H265 R349 H350 Q351 E355 L356 L357	R228-E353 IonicContact CZ-OE1 2.77Å; R228-E353 IonicContact CZ-OE2 2.75Å; R228-E353 VanDerWaalsContact NH1-CD 3.26Å; R228-E353 IonicContact NH1-OE1 3.4Å; R228-E353 PolarHBondContact NH1-OE1 3.46Å; R228-E353 IonicContact NH1-OE2 2.96Å; R228-E353 PolarHBondContact NH1-OE2 2.99Å; R228-E353 IonicContact NH2-OE1 3.2Å; R228-E353 PolarHBondContact NH2-OE1 3.42Å; L261-E353 HydrophobicContact CD1-CB 4.05Å; L261-E353 HydrophobicContact CD1-CG 3.73Å; H265-E353 IonicContact ND1-OE2 2.83Å; R349-E353 WeakPolarHBondContact CD-OE1 3.25Å; R349-E353 HydrophobicContact CG-CG 4.39Å; R349-E353 WeakPolarHBondContact CG-OE1 3.04Å; R349-E353 IonicContact NE-OE1 3.48Å; R349-E353 VanDerWaalsContact O-CG 3.23Å; R349-E353 WeakPolarHBondContact O-CG 3.49Å; R349-E353 PolarHBondContact O-N 2.84Å; H350-E353 PolarHBondContact O-N 3.38Å; Q351-E353 VanDerWaalsContact C-N 3.29Å; Q351-E353 PolarHBondContact O-N 3.32Å; E353-E355 PolarHBondContact O-N 3.31Å; E353-L356 PolarHBondContact O-N 3.46Å; E353-L357 WeakPolarHBondContact O-CB 3.36Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 3.15Å
354	L	92.4	Very high	89.7	Confident	35 Å²	35	65.5 Å²	65.5	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-47.4	175.1	176.2	60.1	0	0	0	112.1	H350 Q351 L356 L357 L358 F368 E370	H350-L354 PolarHBondContact O-N 3.16Å; Q351-L354 WeakPolarHBondContact O-CB 3.46Å; Q351-L354 PolarHBondContact O-N 3.3Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 2.89Å; L354-L357 PolarHBondContact O-N 2.76Å; L354-L358 HydrophobicContact CD1-CD1 3.93Å; L354-L358 HydrophobicContact CD1-CG 4Å; L354-L358 HydrophobicContact CG-CD1 3.96Å; L354-L358 HydrophobicContact CG-CG 4.45Å; L354-L358 WeakPolarHBondContact O-CB 3.25Å; L354-L358 WeakPolarHBondContact O-CG 3.36Å; L354-L358 PolarHBondContact O-N 2.91Å; L354-F368 HydrophobicContact CD1-CE1 3.77Å; L354-E370 HydrophobicContact CD1-CB 3.95Å; L354-E370 HydrophobicContact CD1-CG 4.12Å; L354-E370 WeakPolarHBondContact CD2-OE2 3.29Å
355	E	93.4	Very high	88.3	Confident	126 Å²	126	64.7 Å²	64.7	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-57.7	-44.3	177.8	-74.1	-177.6	-179.8	0	0	111.9	Q351 E353 M359	Q351-E355 WeakPolarHBondContact O-CG 3.42Å; Q351-E355 PolarHBondContact O-N 3.25Å; E353-E355 PolarHBondContact O-N 3.31Å; E355-M359 WeakPolarHBondContact O-CB 3.37Å; E355-M359 PolarHBondContact O-N 3.27Å
356	L	92.3	Very high	86.9	Confident	80 Å²	80	59.1 Å²	59.1	42%	0.419	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-37.7	177.7	-71.7	174.2	0	0	0	112.3	F257 L261 L352 E353 L354 M359 G360	F257-L356 HydrophobicContact CE1-CD1 4.49Å; L261-L356 HydrophobicContact CD2-CB 3.57Å; L261-L356 HydrophobicContact CD2-CD1 4.4Å; L352-L356 WeakPolarHBondContact O-CG 3.14Å; L352-L356 PolarHBondContact O-N 2.94Å; L352-L356 VanDerWaalsContact O-N 3.14Å; E353-L356 PolarHBondContact O-N 3.46Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 2.89Å; L356-M359 PolarHBondContact O-N 3.31Å; L356-G360 PolarHBondContact O-N 3.43Å
357	L	89.7	Confident	85.6	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-45.6	175.7	-76.5	173.8	0	0	0	112	T258 L261 H262 H265 E353 L354 M359 G360 S361 F368	T258-L357 HydrophobicContact CG2-CD2 3.85Å; L261-L357 HydrophobicContact CB-CD2 4.11Å; L261-L357 HydrophobicContact CD2-CD2 3.92Å; L261-L357 HydrophobicContact CD2-CG 3.8Å; L261-L357 HydrophobicContact CG-CD2 3.96Å; L261-L357 HydrophobicContact CG-CG 3.97Å; H262-L357 HydrophobicContact CB-CD2 3.82Å; H265-L357 HydrophobicContact CB-CD1 3.63Å; E353-L357 WeakPolarHBondContact O-CB 3.36Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 3.15Å; L354-L357 PolarHBondContact O-N 2.76Å; L357-M359 VanDerWaalsContact C-N 3.27Å; L357-M359 PolarHBondContact O-N 3.04Å; L357-G360 PolarHBondContact O-N 3.23Å; L357-S361 VanDerWaalsContact O-CB 3.23Å; L357-S361 WeakPolarHBondContact O-CB 3.13Å; L357-S361 PolarHBondContact O-N 3.36Å; L357-S361 PolarHBondContact O-OG 2.93Å; L357-F368 HydrophobicContact CB-CD1 4.02Å; L357-F368 HydrophobicContact CB-CE1 3.9Å; L357-F368 HydrophobicContact CB-CZ 4.38Å; L357-F368 HydrophobicContact CD1-CE1 4.11Å; L357-F368 HydrophobicContact CD1-CE2 4.33Å; L357-F368 HydrophobicContact CD1-CZ 3.8Å
358	L	89.1	Confident	84.8	Confident	84 Å²	84	67.7 Å²	67.7	44%	0.44	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-35.3	175.9	-70.2	170.5	0	0	0	111.9	L354 S361 K362 F368	L354-L358 HydrophobicContact CD1-CD1 3.93Å; L354-L358 HydrophobicContact CD1-CG 4Å; L354-L358 HydrophobicContact CG-CD1 3.96Å; L354-L358 HydrophobicContact CG-CG 4.45Å; L354-L358 WeakPolarHBondContact O-CB 3.25Å; L354-L358 WeakPolarHBondContact O-CG 3.36Å; L354-L358 PolarHBondContact O-N 2.91Å; L358-S361 PolarHBondContact O-OG 3.39Å; L358-K362 WeakPolarHBondContact O-CB 3.23Å; L358-K362 PolarHBondContact O-N 2.96Å; L358-F368 HydrophobicContact CD2-CD1 4.01Å; L358-F368 HydrophobicContact CG-CD1 4.44Å
359	M	87.7	Confident	83.7	Confident	114 Å²	114	70 Å²	70	56%	0.562	37%	0.368	S	S	*	.	H	α-helix	trans	-68.2	-49	173.3	-171.9	-176.1	-57.4	0	0	111.4	E355 L356 L357 K362 I363	E355-M359 WeakPolarHBondContact O-CB 3.37Å; E355-M359 PolarHBondContact O-N 3.27Å; L356-M359 PolarHBondContact O-N 3.31Å; L357-M359 VanDerWaalsContact C-N 3.27Å; L357-M359 PolarHBondContact O-N 3.04Å; M359-K362 PolarHBondContact O-N 3.41Å; M359-I363 HydrophobicContact CG-CD1 3.91Å; M359-I363 VanDerWaalsContact O-CG1 3.29Å; M359-I363 WeakPolarHBondContact O-CG1 3.38Å; M359-I363 PolarHBondContact O-N 3.38Å; M359-I363 VanDerWaalsContact O-N 3.1Å
360	G	82.9	Confident	82.7	Confident	5 Å²	5	70 Å²	70	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-44.9	-179.8	0	0	0	0	0	112.7	L356 L357 K362 I363 M364	L356-G360 PolarHBondContact O-N 3.43Å; L357-G360 PolarHBondContact O-N 3.23Å; G360-K362 PolarHBondContact O-N 3.4Å; G360-I363 PolarHBondContact O-N 3.48Å; G360-M364 WeakPolarHBondContact O-CB 3.4Å; G360-M364 VanDerWaalsContact O-CG 3.27Å; G360-M364 WeakPolarHBondContact O-CG 3.32Å; G360-M364 PolarHBondContact O-N 2.92Å
361	S	79.1	Confident	81.4	Confident	14 Å²	14	71.2 Å²	71.2	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-47.6	179.4	73.2	0	0	0	0	111.5	L357 L358 I363 M364 G365 V366 F368	L357-S361 VanDerWaalsContact O-CB 3.23Å; L357-S361 WeakPolarHBondContact O-CB 3.13Å; L357-S361 PolarHBondContact O-N 3.36Å; L357-S361 PolarHBondContact O-OG 2.93Å; L358-S361 PolarHBondContact O-OG 3.39Å; S361-I363 PolarHBondContact O-N 3.3Å; S361-M364 PolarHBondContact O-N 2.85Å; S361-G365 PolarHBondContact O-N 3.12Å; S361-V366 CarbonylContact C-O 3.47Å; S361-V366 VanDerWaalsContact C-O 3.27Å; S361-V366 WeakPolarHBondContact CA-O 3.26Å; S361-V366 WeakPolarHBondContact CB-O 3.42Å; S361-V366 PolarHBondContact O-N 3.48Å; S361-V366 VanDerWaalsContact O-N 3.11Å; S361-V366 VanDerWaalsContact O-O 3.05Å; S361-F368 VanDerWaalsContact CB-CB 3.41Å
362	K	80.6	Confident	80.3	Confident	182 Å²	182	72.2 Å²	72.2	79%	0.791	39%	0.393	S	S	*	.	H	α-helix	trans	-60.8	-41.9	175.4	-174.4	177.7	-177.4	176.7	0	113	L358 M359 G360	L358-K362 WeakPolarHBondContact O-CB 3.23Å; L358-K362 PolarHBondContact O-N 2.96Å; M359-K362 PolarHBondContact O-N 3.41Å; G360-K362 PolarHBondContact O-N 3.4Å
363	I	73.3	Confident	79	Confident	116 Å²	116	68.7 Å²	68.7	60%	0.595	37%	0.373	S	S	*	.	H	α-helix	trans	-67.8	-38.6	178.7	-70.3	167.7	0	0	0	110.8	M359 G360 S361 G365	M359-I363 HydrophobicContact CG-CD1 3.91Å; M359-I363 VanDerWaalsContact O-CG1 3.29Å; M359-I363 WeakPolarHBondContact O-CG1 3.38Å; M359-I363 PolarHBondContact O-N 3.38Å; M359-I363 VanDerWaalsContact O-N 3.1Å; G360-I363 PolarHBondContact O-N 3.48Å; S361-I363 PolarHBondContact O-N 3.3Å; I363-G365 VanDerWaalsContact C-N 3.35Å
364	M	70.6	Confident	78	Confident	15 Å²	15	70.8 Å²	70.8	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-82.9	-13.4	-177.3	-66.1	-170.7	-61.6	0	0	113.5	D255 T258 G360 S361	D255-M364 HydrophobicContact CB-SD 4.16Å; T258-M364 HydrophobicContact CG2-CE 3.46Å; T258-M364 VanDerWaalsContact CG2-CE 3.46Å; G360-M364 WeakPolarHBondContact O-CB 3.4Å; G360-M364 VanDerWaalsContact O-CG 3.27Å; G360-M364 WeakPolarHBondContact O-CG 3.32Å; G360-M364 PolarHBondContact O-N 2.92Å; S361-M364 PolarHBondContact O-N 2.85Å
365	G	67.9	Low	76.6	Confident	59 Å²	59	70.2 Å²	70.2	61%	0.608	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	33.5	-178.9	0	0	0	0	0	112.7	S361 I363	S361-G365 PolarHBondContact O-N 3.12Å; I363-G365 VanDerWaalsContact C-N 3.35Å
366	V	66.3	Low	74.6	Confident	34 Å²	34	68.3 Å²	68.3	21%	0.206	38%	0.38	C	S	.	.			trans	-121.9	125.7	175.6	179.8	0	0	0	0	106.4	Y242 S361 F368	Y242-V366 HydrophobicContact CE1-CG2 4.12Å; S361-V366 CarbonylContact C-O 3.47Å; S361-V366 VanDerWaalsContact C-O 3.27Å; S361-V366 WeakPolarHBondContact CA-O 3.26Å; S361-V366 WeakPolarHBondContact CB-O 3.42Å; S361-V366 PolarHBondContact O-N 3.48Å; S361-V366 VanDerWaalsContact O-N 3.11Å; S361-V366 VanDerWaalsContact O-O 3.05Å; V366-F368 PolarHBondContact O-N 2.72Å
367	D	70	Confident	72.3	Confident	158 Å²	158	69.5 Å²	69.5	85%	0.845	39%	0.391	S	S	*	.			trans	-70	129.4	177.8	-72.6	-26.2	0	0	0	109.5
368	F	77.6	Confident	70	Confident	36 Å²	36	70.6 Å²	70.6	16%	0.158	40%	0.403	C	S	.	.			trans	-111.7	124.5	170.1	171.9	-104.7	0	0	0	108	H262 L354 L357 L358 S361 V366 E370	H262-F368 AromaticContact CE1-CE2 3.62Å; H262-F368 AromaticContact ND1-CD2 3.81Å; H262-F368 AromaticContact ND1-CE2 3.33Å; H262-F368 VanDerWaalsContact ND1-CE2 3.33Å; H262-F368 WeakPolarHBondContact ND1-CE2 3.22Å; L354-F368 HydrophobicContact CD1-CE1 3.77Å; L357-F368 HydrophobicContact CB-CD1 4.02Å; L357-F368 HydrophobicContact CB-CE1 3.9Å; L357-F368 HydrophobicContact CB-CZ 4.38Å; L357-F368 HydrophobicContact CD1-CE1 4.11Å; L357-F368 HydrophobicContact CD1-CE2 4.33Å; L357-F368 HydrophobicContact CD1-CZ 3.8Å; L358-F368 HydrophobicContact CD2-CD1 4.01Å; L358-F368 HydrophobicContact CG-CD1 4.44Å; S361-F368 VanDerWaalsContact CB-CB 3.41Å; V366-F368 PolarHBondContact O-N 2.72Å; F368-E370 HydrophobicContact CE1-CB 4.15Å; F368-E370 HydrophobicContact CZ-CB 4.31Å
369	T	72.8	Confident	68	Low	126 Å²	126	68.3 Å²	68.3	77%	0.773	40%	0.4	S	S	*	.			trans	-114.8	123.9	172.2	-52.6	0	0	0	0	107.1
370	E	74.9	Confident	66.2	Low	65 Å²	65	64.5 Å²	64.5	30%	0.304	38%	0.379	S	S	.	.			trans	-70.5	140.4	173.7	-172.5	176.5	-135.2	0	0	110.4	H265 H350 L354 F368 Y373	H265-E370 IonicContact CE1-OE1 3.83Å; H265-E370 PolarHBondContact CE1-OE1 2.7Å; H265-E370 IonicContact NE2-OE1 3.9Å; H265-E370 PolarHBondContact NE2-OE1 3.24Å; H350-E370 IonicContact NE2-OE1 3.47Å; L354-E370 HydrophobicContact CD1-CB 3.95Å; L354-E370 HydrophobicContact CD1-CG 4.12Å; L354-E370 WeakPolarHBondContact CD2-OE2 3.29Å; F368-E370 HydrophobicContact CE1-CB 4.15Å; F368-E370 HydrophobicContact CZ-CB 4.31Å; E370-Y373 HydrophobicContact CG-CD2 4.46Å; E370-Y373 HydrophobicContact CG-CE2 3.72Å
371	G	66.8	Low	64.4	Low	29 Å²	29	72.2 Å²	72.2	30%	0.299	42%	0.419	S	S	.	.			trans	-69.5	143.5	170.2	0	0	0	0	0	111.3	Y373	G371-Y373 VanDerWaalsContact C-N 3.31Å; G371-Y373 PolarHBondContact N-OH 2.8Å; G371-Y373 VanDerWaalsContact N-OH 3.15Å; G371-Y373 WeakPolarHBondContact O-CD2 3.41Å; G371-Y373 WeakPolarHBondContact O-CE2 3.3Å; G371-Y373 PolarHBondContact O-N 3.1Å
372	N	68.8	Low	62.9	Low	126 Å²	126	73.6 Å²	73.6	67%	0.674	43%	0.426	S	S	*	.			trans	-78.5	82	173.8	-171.4	5	0	0	0	110.2	W374 S375	N372-W374 VanDerWaalsContact C-N 3.33Å; N372-S375 WeakPolarHBondContact ND2-CB 3.46Å; N372-S375 PolarHBondContact OD1-N 3.06Å
373	Y	68.6	Low	61	Low	22 Å²	22	70.7 Å²	70.7	9%	0.086	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.8	-175.4	-45.3	-66.6	0	0	0	113.3	E266 V268 R269 N283 E370 G371	E266-Y373 PolarHBondContact OE1-OH 3.24Å; V268-Y373 HydrophobicContact CG1-CD1 3.78Å; V268-Y373 HydrophobicContact CG1-CD2 3.61Å; V268-Y373 HydrophobicContact CG1-CE1 3.97Å; V268-Y373 HydrophobicContact CG1-CE2 3.82Å; V268-Y373 HydrophobicContact CG1-CG 3.61Å; V268-Y373 HydrophobicContact CG2-CG 4.43Å; R269-Y373 HydrophobicContact CB-CD1 4.25Å; R269-Y373 HydrophobicContact CB-CE1 3.87Å; N283-Y373 PolarHBondContact N-O 3.08Å; E370-Y373 HydrophobicContact CG-CD2 4.46Å; E370-Y373 HydrophobicContact CG-CE2 3.72Å; G371-Y373 VanDerWaalsContact C-N 3.31Å; G371-Y373 PolarHBondContact N-OH 2.8Å; G371-Y373 VanDerWaalsContact N-OH 3.15Å; G371-Y373 WeakPolarHBondContact O-CD2 3.41Å; G371-Y373 WeakPolarHBondContact O-CE2 3.3Å; G371-Y373 PolarHBondContact O-N 3.1Å
374	W	73.8	Confident	59.6	Low	57 Å²	57	69.7 Å²	69.7	22%	0.216	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	39.9	-173	-42.2	-38.5	0	0	0	112.6	N283 F315 H316 L347 H350 N372 S376	N283-W374 WeakPolarHBondContact OD1-CA 3.38Å; F315-W374 HydrophobicContact CD1-CD2 4.04Å; F315-W374 AromaticContact CD1-CE2 3.95Å; F315-W374 HydrophobicContact CD1-CG 4.25Å; F315-W374 HydrophobicContact CD1-CZ2 4.39Å; H316-W374 PolarHBondContact CE1-O 2.88Å; H316-W374 PolarHBondContact ND1-O 3.32Å; L347-W374 HydrophobicContact CD2-CH2 3.26Å; L347-W374 HydrophobicContact CD2-CZ2 3.63Å; L347-W374 HydrophobicContact CD2-CZ3 3.81Å; H350-W374 AromaticContact CD2-CH2 3.36Å; H350-W374 WeakPolarHBondContact CD2-CH2 3.33Å; H350-W374 AromaticContact CD2-CZ2 3.35Å; H350-W374 WeakPolarHBondContact CD2-CZ2 3.11Å; H350-W374 AromaticContact NE2-CZ2 3.66Å; N372-W374 VanDerWaalsContact C-N 3.33Å; W374-S376 PolarHBondContact O-N 3.04Å
375	S	62.2	Low	58.6	Low	23 Å²	23	72.2 Å²	72.2	16%	0.161	43%	0.433	C	S	.	.			trans	-65.4	127	178.5	-173.1	0	0	0	0	112.1	N283 N372 T377	N283-S375 PolarHBondContact ND2-O 2.86Å; N283-S375 PolarHBondContact OD1-N 2.81Å; N283-S375 PolarHBondContact OD1-O 2.94Å; N283-S375 VanDerWaalsContact OD1-O 3.04Å; N372-S375 WeakPolarHBondContact ND2-CB 3.46Å; N372-S375 PolarHBondContact OD1-N 3.06Å; S375-T377 PolarHBondContact O-N 3.17Å; S375-T377 PolarHBondContact OG-OG1 3.01Å
376	S	52.1	Low	57.2	Low	86 Å²	86	71.1 Å²	71.1	60%	0.601	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-67.1	-2	-179.5	60.1	0	0	0	0	115.4	W374 G378	W374-S376 PolarHBondContact O-N 3.04Å; S376-G378 VanDerWaalsContact C-N 3.34Å; S376-G378 PolarHBondContact O-N 3.37Å
377	T	44.4	Very low	55.6	Low	105 Å²	105	75.2 Å²	75.2	64%	0.644	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-70	-25.3	-179	42.8	0	0	0	0	114.3	E282 S375	E282-T377 PolarHBondContact OE2-OG1 3.35Å; S375-T377 PolarHBondContact O-N 3.17Å; S375-T377 PolarHBondContact OG-OG1 3.01Å
378	G	41.2	Very low	53.7	Low	26 Å²	26	71.6 Å²	71.6	27%	0.268	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-98.3	28.5	-174.3	0	0	0	0	0	115.9	E282 S376	E282-G378 PolarHBondContact OE2-N 3.36Å; S376-G378 VanDerWaalsContact C-N 3.34Å; S376-G378 PolarHBondContact O-N 3.37Å
379	G	47	Very low	51.5	Low	37 Å²	37	73.2 Å²	73.2	38%	0.381	45%	0.454	S	S	.	.			trans	-61.7	160.8	176.4	0	0	0	0	0	113.4	D381	G379-D381 PolarHBondContact O-N 3.08Å
380	R	50.3	Low	49.4	Very low	33 Å²	33	73.5 Å²	73.5	13%	0.125	46%	0.455	C	S	.	.			trans	-53	121.1	175.1	-176.7	-178.5	59.4	121.4	13.8	110.5	Y201 D290 Y291 D382	Y201-R380 PolarHBondContact OH-NH1 3.03Å; D290-R380 WeakPolarHBondContact OD2-CB 3.4Å; Y291-R380 HydrophobicContact CE1-CG 4.26Å; R380-D382 WeakPolarHBondContact CD-OD2 3.25Å; R380-D382 WeakPolarHBondContact CG-OD2 3.31Å; R380-D382 IonicContact CZ-OD1 3.67Å; R380-D382 IonicContact CZ-OD2 3.81Å; R380-D382 IonicContact NE-OD1 3.43Å; R380-D382 PolarHBondContact NE-OD1 3.32Å; R380-D382 VanDerWaalsContact NE-OD1 3.1Å; R380-D382 IonicContact NE-OD2 3.41Å; R380-D382 PolarHBondContact NE-OD2 3.12Å; R380-D382 VanDerWaalsContact NE-OD2 3.11Å; R380-D382 IonicContact NH1-OD1 3.11Å; R380-D382 PolarHBondContact NH1-OD1 2.93Å; R380-D382 IonicContact NH1-OD2 2.66Å; R380-D382 PolarHBondContact NH1-OD2 3.29Å; R380-D382 IonicContact NH2-OD1 2.55Å; R380-D382 PolarHBondContact NH2-OD1 3.34Å; R380-D382 IonicContact NH2-OD2 3.69Å; R380-D382 PolarHBondContact O-N 3.26Å; R380-D382 VanDerWaalsContact O-N 3.16Å
381	D	45.3	Very low	47	Very low	168 Å²	168	78.5 Å²	78.5	90%	0.898	48%	0.484	S	S	*	.			trans	-80.6	87.5	173.9	-178.5	25.7	0	0	0	109.6	G379	G379-D381 PolarHBondContact O-N 3.08Å
382	D	46.6	Very low	45	Very low	43 Å²	43	80.8 Å²	80.8	23%	0.23	51%	0.507	C	S	.	.			trans	-150.6	150.8	168.6	55.5	21.5	0	0	0	117.4	R380 N384	R380-D382 WeakPolarHBondContact CD-OD2 3.25Å; R380-D382 WeakPolarHBondContact CG-OD2 3.31Å; R380-D382 IonicContact CZ-OD1 3.67Å; R380-D382 IonicContact CZ-OD2 3.81Å; R380-D382 IonicContact NE-OD1 3.43Å; R380-D382 PolarHBondContact NE-OD1 3.32Å; R380-D382 VanDerWaalsContact NE-OD1 3.1Å; R380-D382 IonicContact NE-OD2 3.41Å; R380-D382 PolarHBondContact NE-OD2 3.12Å; R380-D382 VanDerWaalsContact NE-OD2 3.11Å; R380-D382 IonicContact NH1-OD1 3.11Å; R380-D382 PolarHBondContact NH1-OD1 2.93Å; R380-D382 IonicContact NH1-OD2 2.66Å; R380-D382 PolarHBondContact NH1-OD2 3.29Å; R380-D382 IonicContact NH2-OD1 2.55Å; R380-D382 PolarHBondContact NH2-OD1 3.34Å; R380-D382 IonicContact NH2-OD2 3.69Å; R380-D382 PolarHBondContact O-N 3.26Å; R380-D382 VanDerWaalsContact O-N 3.16Å; D382-N384 PolarHBondContact O-N 3.18Å
383	S	41.9	Very low	42.8	Very low	121 Å²	121	86 Å²	86	85%	0.846	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	8.2	176.3	27.7	0	0	0	0	113.7
384	N	41.9	Very low	40.7	Very low	94 Å²	94	92.5 Å²	92.5	50%	0.503	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117	14.2	-169	-69.1	-42.9	0	0	0	114	F294 D382	F294-N384 WeakPolarHBondContact CE2-O 3.23Å; F294-N384 HydrophobicContact CZ-CB 4.14Å; F294-N384 WeakPolarHBondContact CZ-O 3.45Å; D382-N384 PolarHBondContact O-N 3.18Å
385	R	50.6	Low	38.2	Very low	69 Å²	69	98.3 Å²	98.3	26%	0.26	58%	0.581	S	S	.	*	S	Bend	trans	-56.6	138.2	165	-146.1	163.2	-158	178.4	1	109	D319 F321 P387	D319-R385 IonicContact OD1-NH2 3.12Å; D319-R385 PolarHBondContact OD1-NH2 3.12Å; D319-R385 VanDerWaalsContact OD1-NH2 3.12Å; F321-R385 HydrophobicContact CD1-CG 4.48Å; R385-P387 WeakPolarHBondContact O-CD 3.41Å; R385-P387 VanDerWaalsContact O-N 3.1Å
386	I	39.5	Very low	36.3	Very low	36 Å²	36	107.6 Å²	107.6	19%	0.185	61%	0.614	C	S	.	*			trans	-54.4	121.3	-174	-58.9	179.8	0	0	0	107.7	F297 Y329 S388	F297-I386 HydrophobicContact CD1-CD1 4.2Å; F297-I386 HydrophobicContact CD2-CD1 4.46Å; F297-I386 HydrophobicContact CE1-CD1 4.01Å; F297-I386 HydrophobicContact CE1-CG1 4.29Å; F297-I386 HydrophobicContact CE2-CD1 4.27Å; F297-I386 HydrophobicContact CG-CD1 4.41Å; F297-I386 HydrophobicContact CZ-CD1 4.04Å; Y329-I386 HydrophobicContact CE1-CD1 3.84Å; I386-S388 PolarHBondContact O-N 3.47Å
387	P	30.9	Very low	34.8	Very low	120 Å²	120	108.7 Å²	108.7	78%	0.779	62%	0.616	S	S	*	*			trans	-64	107.4	-173	-20.7	31.2	0	0	0	110.5	R385 G389	R385-P387 WeakPolarHBondContact O-CD 3.41Å; R385-P387 VanDerWaalsContact O-N 3.1Å; P387-G389 PolarHBondContact O-N 3.29Å
388	S	31.2	Very low	33.7	Very low	82 Å²	82	108.2 Å²	108.2	57%	0.573	62%	0.615	S	S	*	*			trans	-67.8	120.6	160.1	-173.6	0	0	0	0	107.2	I386 T390	I386-S388 PolarHBondContact O-N 3.47Å; S388-T390 PolarHBondContact O-N 3.34Å
389	G	30.9	Very low	32.9	Very low	70 Å²	70	115.6 Å²	115.6	72%	0.722	65%	0.647	S	S	*	*	S	Bend	trans	-65.5	98.4	-174.9	0	0	0	0	0	111.8	P387	P387-G389 PolarHBondContact O-N 3.29Å
390	T	28.6	Very low	31.9	Very low	131 Å²	131	118 Å²	118	80%	0.804	66%	0.657	S	S	*	*			trans	-164	128.4	142.4	24.1	0	0	0	0	110	S388	S388-T390 PolarHBondContact O-N 3.34Å
391	D	25.2	Very low	30.6	Very low	171 Å²	171	124.5 Å²	124.5	91%	0.914	69%	0.689	S	S	*	*			trans	-52.1	139.7	-171	-32.7	-37	0	0	0	115.7
392	G	24.9	Very low	29.9	Very low	76 Å²	76	125.1 Å²	125.1	78%	0.784	68%	0.684	S	S	*	*			trans	165.2	79.7	162.5	0	0	0	0	0	116	M394	G392-M394 PolarHBondContact O-N 3.13Å
393	W	22.7	Very low	28.9	Very low	237 Å²	237	132.7 Å²	132.7	90%	0.898	72%	0.715	S	S	*	*			trans	-64.4	121.6	168.9	-80	83.4	0	0	0	112.2
394	M	23.8	Very low	28	Very low	157 Å²	157	132.9 Å²	132.9	77%	0.773	71%	0.706	S	S	*	*				50	104.5	127.4	-158.1	173.3	58.4	0	0	118.9	G392	G392-M394 PolarHBondContact O-N 3.13Å
395	E	21.2	Very low	27.2	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	72%	0.718	S	S	*	*			trans	-136.5	124.7	140.4	-154.4	170.2	-153.9	0	0	109.4	V397	E395-V397 PolarHBondContact O-N 3.47Å
396	Y	22.3	Very low	26	Very low	218 Å²	218	137.5 Å²	137.5	86%	0.855	74%	0.739	S	S	*	*			trans	-58.6	114.5	169.2	-168	-93.7	0	0	0	108.5
397	V	20.9	Very low	25.6	Very low	109 Å²	109	140.7 Å²	140.7	66%	0.661	76%	0.76	S	S	*	*			trans	-125.9	129.9	164.7	-178	0	0	0	0	107.4	E395	E395-V397 PolarHBondContact O-N 3.47Å
398	P	21.6	Very low	25.5	Very low	95 Å²	95	142.6 Å²	142.6	62%	0.617	76%	0.762	S	S	*	*			trans	-59.5	148.3	-177	-12.1	26.1	0	0	0	109.6	S400	P398-S400 PolarHBondContact O-N 2.87Å
399	I	24.5	Very low	25.4	Very low	181 Å²	181	144.6 Å²	144.6	93%	0.928	77%	0.77	S	S	*	*			trans	-54.8	93.1	166.3	-62.9	167.9	0	0	0	107.5
400	S	25.6	Very low	25.7	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	76%	0.764	S	S	*	*			trans	-91	125.7	173.5	76.6	0	0	0	0	108	P398	P398-S400 PolarHBondContact O-N 2.87Å
401	E	23.8	Very low	26.5	Very low	170 Å²	170	146 Å²	146	79%	0.794	76%	0.758	S	S	*	*			trans	79.5	88.2	149.2	-60	-175.9	174.8	0	0	116.5	K403	E401-K403 PolarHBondContact O-N 2.84Å
402	K	30.2	Very low	27.9	Very low	180 Å²	180	145.9 Å²	145.9	78%	0.783	75%	0.752	S	S	*	*				32.9	94.2	112.3	-65.7	-179	177.9	178.8	0	113.5	N404	K402-N404 PolarHBondContact O-N 3.04Å
403	K	24.2	Very low	30.3	Very low	202 Å²	202	147.8 Å²	147.8	88%	0.878	74%	0.744	S	S	*	*			trans	-62.7	102.4	133.2	-100.1	177.3	178.8	172.1	0	105.6	E401 I405	E401-K403 PolarHBondContact O-N 2.84Å; K403-I405 PolarHBondContact O-N 2.92Å
404	N	24.8	Very low	33.3	Very low	126 Å²	126	142.1 Å²	142.1	67%	0.674	73%	0.726	S	S	*	*			trans	-56.2	83.4	156.4	-69.4	-33.5	0	0	0	106.6	K402 T406	K402-N404 PolarHBondContact O-N 3.04Å; N404-T406 PolarHBondContact O-N 3.45Å
405	I	24.9	Very low	36.5	Very low	146 Å²	146	137.8 Å²	137.8	75%	0.749	70%	0.703	S	S	*	*			trans	-50.7	111.7	134.2	-61.8	174.2	0	0	0	101.2	K403 V407	K403-I405 PolarHBondContact O-N 2.92Å; I405-V407 PolarHBondContact O-N 2.92Å
406	T	25.3	Very low	39.9	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	69%	0.689	S	S	*	*			trans	-43.9	101.1	171.8	38.3	0	0	0	0	106.1	N404 I408	N404-T406 PolarHBondContact O-N 3.45Å; T406-I408 PolarHBondContact O-N 3.37Å
407	V	30.4	Very low	43.2	Very low	103 Å²	103	121.8 Å²	121.8	62%	0.624	65%	0.653	S	S	*	*			trans	-40	104.1	145	173	0	0	0	0	101.2	I405 V409	I405-V407 PolarHBondContact O-N 2.92Å; V407-V409 PolarHBondContact O-N 2.69Å
408	I	28.1	Very low	46.7	Very low	160 Å²	160	121 Å²	121	82%	0.821	65%	0.65	S	S	*	*			trans	-49.5	107.7	160.4	-70.1	173.3	0	0	0	101.3	T406 S410	T406-I408 PolarHBondContact O-N 3.37Å; I408-S410 PolarHBondContact O-N 3.08Å
409	V	29	Very low	50	Low	125 Å²	125	119.5 Å²	119.5	76%	0.758	64%	0.637	S	S	*	*			trans	-35	109.6	-169.8	171.3	0	0	0	0	106	V407 Q411	V407-V409 PolarHBondContact O-N 2.69Å; V409-Q411 PolarHBondContact O-N 3.41Å
410	S	37.4	Very low	53.2	Low	84 Å²	84	115.2 Å²	115.2	59%	0.587	62%	0.615	S	S	*	*			trans	-48.7	110.8	178.5	56.3	0	0	0	0	104.7	I408 Q412	I408-S410 PolarHBondContact O-N 3.08Å; S410-Q412 PolarHBondContact O-N 2.94Å
411	Q	45.8	Very low	56.4	Low	146 Å²	146	114.1 Å²	114.1	68%	0.682	60%	0.598	S	S	*	*			trans	-49.9	119.6	161.3	-79	179.4	-11.8	0	0	103.5	V409 L413	V409-Q411 PolarHBondContact O-N 3.41Å; Q411-L413 VanDerWaalsContact C-N 3.32Å; Q411-L413 PolarHBondContact O-N 3.26Å
412	Q	54.9	Low	59.6	Low	168 Å²	168	114.4 Å²	114.4	79%	0.785	61%	0.605	S	S	*	*			trans	-47.7	104.5	176.9	-121.2	169.6	-7.1	0	0	106.1	S410 K414	S410-Q412 PolarHBondContact O-N 2.94Å; Q412-K414 WeakPolarHBondContact O-CG 3.49Å; Q412-K414 PolarHBondContact O-N 2.84Å
413	L	75.5	Confident	62.5	Low	117 Å²	117	109 Å²	109	61%	0.613	59%	0.59	S	S	*	*			trans	-63.6	122.9	-176.8	-69.3	171.5	0	0	0	106	Q411 Q437	Q411-L413 VanDerWaalsContact C-N 3.32Å; Q411-L413 PolarHBondContact O-N 3.26Å; L413-Q437 HydrophobicContact CB-CG 4.31Å; L413-Q437 HydrophobicContact CD1-CG 4.13Å
414	K	85.5	Confident	65.9	Low	118 Å²	118	99.7 Å²	99.7	51%	0.513	55%	0.55	S	S	.	*			trans	-103.5	149.9	-177.4	-65.6	-178.3	-173.4	174.1	0	108.7	Q412 Q437 F520 M521	Q412-K414 WeakPolarHBondContact O-CG 3.49Å; Q412-K414 PolarHBondContact O-N 2.84Å; K414-Q437 PolarHBondContact O-NE2 2.95Å; K414-F520 CarbonylContact O-C 3.36Å; K414-M521 HydrophobicContact CB-CB 3.98Å; K414-M521 HydrophobicContact CB-CG 4.3Å; K414-M521 HydrophobicContact CB-SD 3.78Å; K414-M521 HydrophobicContact CD-CE 4.23Å; K414-M521 HydrophobicContact CD-SD 4.33Å
415	E	91.7	Very high	69.4	Low	66 Å²	66	99.1 Å²	99.1	31%	0.308	54%	0.543	S	S	.	.			trans	-148.4	165.4	176	54	-178.7	-133.3	0	0	109.3	S430 Q437 Y519 F520	E415-S430 WeakPolarHBondContact OE1-CB 3.33Å; E415-S430 PolarHBondContact OE1-OG 2.98Å; E415-S430 WeakPolarHBondContact OE2-CB 3.3Å; E415-S430 PolarHBondContact OE2-OG 2.88Å; E415-Q437 WeakPolarHBondContact OE2-CA 3.32Å; E415-Q437 PolarHBondContact OE2-N 3.2Å; E415-Q437 PolarHBondContact OE2-NE2 3.38Å; E415-Q437 VanDerWaalsContact OE2-NE2 3.16Å; E415-Y519 CarbonylContact C-O 3.39Å; E415-Y519 WeakPolarHBondContact CA-O 3.19Å; E415-Y519 HydrophobicContact CB-CE1 4.18Å; E415-F520 HydrophobicContact CB-CD1 4.25Å
416	G	91.6	Very high	72.8	Confident	52 Å²	52	96.1 Å²	96.1	54%	0.536	53%	0.528	S	S	.	.			trans	82.1	27.6	-177.7	0	0	0	0	0	113.7	Y519	G416-Y519 PolarHBondContact N-O 2.81Å
417	G	92.2	Very high	76.3	Confident	10 Å²	10	93.6 Å²	93.6	10%	0.103	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-62.5	170.9	168.7	0	0	0	0	0	113.2	S518 Y519	G417-S518 WeakPolarHBondContact CA-O 3.38Å; G417-Y519 PolarHBondContact N-O 3.47Å
418	P	93.3	Very high	79.5	Confident	92 Å²	92	92 Å²	92	60%	0.597	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-65.7	144.6	-173.5	27.4	-33.8	0	0	0	112.2	L420 S518	P418-L420 PolarHBondContact O-N 3.19Å; P418-S518 PolarHBondContact O-OG 3.25Å
419	L	92.3	Very high	82.8	Confident	64 Å²	64	87.3 Å²	87.3	34%	0.335	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-80.5	116.9	169.1	-58.4	179.3	0	0	0	108.4	Y421 V424 L426 L441 Y519	L419-Y421 PolarHBondContact O-N 2.97Å; L419-V424 HydrophobicContact CD1-CG1 4.46Å; L419-V424 WeakPolarHBondContact CD1-O 3.4Å; L419-V424 HydrophobicContact CD2-CG1 4.29Å; L419-L426 HydrophobicContact CD1-CB 4.23Å; L419-L441 HydrophobicContact CD2-CD1 4.3Å; L419-L441 HydrophobicContact CD2-CD2 4.01Å; L419-Y519 HydrophobicContact CD2-CD2 4.38Å
420	L	90.8	Very high	85.9	Confident	91 Å²	91	81.4 Å²	81.4	48%	0.476	44%	0.439	S	S	.	.	S	Bend	trans	-73	-13	-172.6	-61.7	179.8	0	0	0	114.6	P418 R514 S518	P418-L420 PolarHBondContact O-N 3.19Å; L420-R514 HydrophobicContact CD1-CB 3.89Å; L420-R514 WeakPolarHBondContact CD1-O 3.27Å; L420-S518 WeakPolarHBondContact CD2-OG 3.2Å
421	Y	93.5	Very high	88.6	Confident	63 Å²	63	82.8 Å²	82.8	25%	0.247	44%	0.444	C	S	.	.	S	Bend	trans	-129.6	125.6	-171.8	-59.4	-85.9	0	0	0	109.2	L419 S423 V424 R511 I515	L419-Y421 PolarHBondContact O-N 2.97Å; Y421-S423 PolarHBondContact O-N 3.3Å; Y421-S423 VanDerWaalsContact O-N 3.13Å; Y421-V424 HydrophobicContact CD2-CG2 4.48Å; Y421-V424 HydrophobicContact CG-CG2 4.49Å; Y421-V424 PolarHBondContact O-N 3.36Å; Y421-R511 HydrophobicContact CD2-CG 4.32Å; Y421-R511 HydrophobicContact CE1-CG 4.17Å; Y421-R511 HydrophobicContact CE2-CG 3.75Å; Y421-I515 HydrophobicContact CD2-CD1 3.92Å; Y421-I515 HydrophobicContact CD2-CG1 3.76Å; Y421-I515 HydrophobicContact CE2-CD1 4.12Å; Y421-I515 HydrophobicContact CE2-CG1 3.78Å
422	D	89.5	Confident	91	Very high	176 Å²	176	78.4 Å²	78.4	94%	0.941	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-26	-175.6	-64.9	-28.4	0	0	0	113.6
423	S	91.8	Very high	92.9	Very high	66 Å²	66	70.4 Å²	70.4	46%	0.462	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.1	177.9	62.9	0	0	0	0	113	Y421 H443	Y421-S423 PolarHBondContact O-N 3.3Å; Y421-S423 VanDerWaalsContact O-N 3.13Å; S423-H443 WeakPolarHBondContact O-CB 3.34Å; S423-H443 PolarHBondContact OG-O 3Å
424	V	96.6	Very high	93.8	Very high	8 Å²	8	70 Å²	70	5%	0.048	39%	0.394	C	S	.	.			trans	-76.6	132	-171.4	176.8	0	0	0	0	110.3	L419 Y421 L441 V444 I515	L419-V424 HydrophobicContact CD1-CG1 4.46Å; L419-V424 WeakPolarHBondContact CD1-O 3.4Å; L419-V424 HydrophobicContact CD2-CG1 4.29Å; Y421-V424 HydrophobicContact CD2-CG2 4.48Å; Y421-V424 HydrophobicContact CG-CG2 4.49Å; Y421-V424 PolarHBondContact O-N 3.36Å; V424-L441 HydrophobicContact CG1-CB 4.06Å; V424-L441 HydrophobicContact CG1-CD1 4.02Å; V424-L441 HydrophobicContact CG1-CD2 4.48Å; V424-L441 HydrophobicContact CG1-CG 4.41Å; V424-V444 HydrophobicContact CG1-CG2 4.23Å; V424-V444 HydrophobicContact CG2-CG2 4.2Å; V424-I515 HydrophobicContact CG2-CD1 4.05Å
425	Q	97.2	Very high	94.2	Very high	114 Å²	114	65.6 Å²	65.6	53%	0.533	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.7	-178.2	-64.8	-177	4.2	0	0	111.4	V427 L441 D442	Q425-V427 PolarHBondContact O-N 3.4Å; Q425-L441 CarbonylContact O-C 3.59Å; Q425-L441 VanDerWaalsContact O-CA 3.25Å; Q425-L441 WeakPolarHBondContact O-CA 3.38Å; Q425-D442 PolarHBondContact N-O 2.98Å; Q425-D442 PolarHBondContact O-N 2.61Å
426	L	97.5	Very high	94.3	Very high	82 Å²	82	66.4 Å²	66.4	43%	0.429	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.3	170.6	177.9	64.8	0	0	0	110.3	L419 V439 L441 Y519	L419-L426 HydrophobicContact CD1-CB 4.23Å; L426-V439 HydrophobicContact CD1-CG2 3.5Å; L426-V439 VanDerWaalsContact CD1-CG2 3.5Å; L426-L441 HydrophobicContact CB-CD2 4.03Å; L426-L441 HydrophobicContact CD1-CD2 3.64Å; L426-L441 HydrophobicContact CG-CD2 4.46Å; L426-Y519 HydrophobicContact CD1-CE2 4.01Å
427	V	97.6	Very high	94.4	Very high	60 Å²	60	64.1 Å²	64.1	36%	0.364	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-52.4	179.6	-171.6	0	0	0	0	110.3	Q425 L440 D442	Q425-V427 PolarHBondContact O-N 3.4Å; V427-L440 HydrophobicContact CB-CB 4.34Å; V427-L440 HydrophobicContact CB-CD2 4.08Å; V427-L440 HydrophobicContact CB-CG 4.09Å; V427-L440 WeakPolarHBondContact CB-O 3.38Å; V427-L440 HydrophobicContact CG1-CD2 3.94Å; V427-L440 HydrophobicContact CG1-CG 4.49Å; V427-L440 PolarHBondContact N-O 2.73Å; V427-D442 HydrophobicContact CG2-CB 3.71Å; V427-D442 VanDerWaalsContact CG2-OD2 3.25Å; V427-D442 WeakPolarHBondContact CG2-OD2 3.4Å
428	Q	97.6	Very high	94.6	Very high	70 Å²	70	63.9 Å²	63.9	33%	0.327	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.6	179.2	-67.7	175.4	-21.6	0	0	109.8	A432 L433 L440	Q428-A432 HydrophobicContact CB-CB 3.9Å; Q428-A432 HydrophobicContact CG-CB 4.06Å; Q428-L433 HydrophobicContact CB-CD1 4.36Å; Q428-L433 HydrophobicContact CB-CD2 4.24Å; Q428-L433 HydrophobicContact CB-CG 3.93Å; Q428-L440 HydrophobicContact CB-CB 4.01Å; Q428-L440 HydrophobicContact CB-CD2 4.45Å; Q428-L440 HydrophobicContact CG-CD2 4.42Å; Q428-L440 PolarHBondContact N-O 3.23Å; Q428-L440 PolarHBondContact O-N 3.44Å
429	N	96.6	Very high	94.9	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.332	34%	0.335	S	S	.	.			trans	-96.9	179.8	171.1	62.5	6.9	0	0	0	110.4	V431 A432 L433 R438	N429-V431 VanDerWaalsContact C-N 3.27Å; N429-V431 PolarHBondContact O-N 3.45Å; N429-V431 PolarHBondContact OD1-N 2.6Å; N429-A432 PolarHBondContact O-N 2.92Å; N429-A432 VanDerWaalsContact O-N 3.08Å; N429-A432 WeakPolarHBondContact OD1-CB 3.08Å; N429-A432 PolarHBondContact OD1-N 2.81Å; N429-L433 PolarHBondContact O-N 3.28Å; N429-R438 CarbonylContact C-O 3.59Å
430	S	95.5	Very high	95.2	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-42.1	-178.9	-52.8	0	0	0	0	113.5	E415 A432 L433 N434 G435 Q437 R438	E415-S430 WeakPolarHBondContact OE1-CB 3.33Å; E415-S430 PolarHBondContact OE1-OG 2.98Å; E415-S430 WeakPolarHBondContact OE2-CB 3.3Å; E415-S430 PolarHBondContact OE2-OG 2.88Å; S430-A432 PolarHBondContact O-N 3Å; S430-L433 CarbonylContact O-C 3.47Å; S430-L433 PolarHBondContact O-N 3.44Å; S430-L433 VanDerWaalsContact O-N 3.14Å; S430-N434 PolarHBondContact O-N 3.13Å; S430-N434 VanDerWaalsContact O-N 3.15Å; S430-G435 CarbonylContact C-O 3.47Å; S430-G435 VanDerWaalsContact CB-O 3.32Å; S430-G435 WeakPolarHBondContact CB-O 3.42Å; S430-G435 PolarHBondContact O-N 3.2Å; S430-G435 VanDerWaalsContact O-O 3.1Å; S430-Q437 PolarHBondContact OG-N 2.92Å; S430-Q437 VanDerWaalsContact OG-N 3.14Å; S430-R438 PolarHBondContact N-O 3.34Å; S430-R438 PolarHBondContact OG-N 2.92Å; S430-R438 PolarHBondContact OG-O 2.96Å
431	V	93.9	Very high	95.5	Very high	113 Å²	113	52.4 Å²	52.4	69%	0.685	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-44.7	178.3	-179.2	0	0	0	0	111.3	N429 L433 N434	N429-V431 VanDerWaalsContact C-N 3.27Å; N429-V431 PolarHBondContact O-N 3.45Å; N429-V431 PolarHBondContact OD1-N 2.6Å; V431-L433 PolarHBondContact O-N 3.38Å; V431-N434 PolarHBondContact O-N 3.02Å
432	A	95.3	Very high	95.7	Very high	53 Å²	53	49.9 Å²	49.9	44%	0.438	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.1	177.3	0	0	0	0	0	113.3	Q428 N429 S430	Q428-A432 HydrophobicContact CB-CB 3.9Å; Q428-A432 HydrophobicContact CG-CB 4.06Å; N429-A432 PolarHBondContact O-N 2.92Å; N429-A432 VanDerWaalsContact O-N 3.08Å; N429-A432 WeakPolarHBondContact OD1-CB 3.08Å; N429-A432 PolarHBondContact OD1-N 2.81Å; S430-A432 PolarHBondContact O-N 3Å
433	L	95.8	Very high	96.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.3	176.1	-70.5	170.6	0	0	0	113.3	Q428 N429 S430 V431 G435 R438 L440 A606 I608	Q428-L433 HydrophobicContact CB-CD1 4.36Å; Q428-L433 HydrophobicContact CB-CD2 4.24Å; Q428-L433 HydrophobicContact CB-CG 3.93Å; N429-L433 PolarHBondContact O-N 3.28Å; S430-L433 CarbonylContact O-C 3.47Å; S430-L433 PolarHBondContact O-N 3.44Å; S430-L433 VanDerWaalsContact O-N 3.14Å; V431-L433 PolarHBondContact O-N 3.38Å; L433-G435 VanDerWaalsContact C-N 3.31Å; L433-G435 PolarHBondContact O-N 2.67Å; L433-R438 HydrophobicContact CB-CB 4.26Å; L433-R438 HydrophobicContact CD1-CB 3.71Å; L433-R438 PolarHBondContact O-NH1 3.42Å; L433-L440 HydrophobicContact CD1-CB 4.31Å; L433-A606 HydrophobicContact CB-CB 4.44Å; L433-A606 HydrophobicContact CD2-CB 3.95Å; L433-I608 HydrophobicContact CD2-CD1 4.07Å; L433-I608 HydrophobicContact CD2-CG1 4.25Å
434	N	94.9	Very high	96.4	Very high	109 Å²	109	42.5 Å²	42.5	58%	0.583	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	48.7	-179.5	-63	-34.3	0	0	0	113	S430 V431 R438 T605	S430-N434 PolarHBondContact O-N 3.13Å; S430-N434 VanDerWaalsContact O-N 3.15Å; V431-N434 PolarHBondContact O-N 3.02Å; N434-R438 PolarHBondContact O-NH1 3.42Å; N434-T605 PolarHBondContact ND2-O 3.23Å
435	G	92.7	Very high	96.4	Very high	25 Å²	25	42.4 Å²	42.4	26%	0.258	24%	0.239	S	C	.	.	S	Bend	trans	-162.6	-161.5	178.7	0	0	0	0	0	112.7	S430 L433	S430-G435 CarbonylContact C-O 3.47Å; S430-G435 VanDerWaalsContact CB-O 3.32Å; S430-G435 WeakPolarHBondContact CB-O 3.42Å; S430-G435 PolarHBondContact O-N 3.2Å; S430-G435 VanDerWaalsContact O-O 3.1Å; L433-G435 VanDerWaalsContact C-N 3.31Å; L433-G435 PolarHBondContact O-N 2.67Å
436	T	93.3	Very high	96.5	Very high	82 Å²	82	39.5 Å²	39.5	50%	0.503	23%	0.232	S	C	.	.	S	Bend	trans	-128.6	147.9	177.1	53.8	0	0	0	0	110.4	R438 N624	T436-R438 VanDerWaalsContact C-N 3.33Å; T436-R438 PolarHBondContact O-N 2.76Å; T436-N624 PolarHBondContact O-ND2 3.43Å; T436-N624 PolarHBondContact O-OD1 2.91Å
437	Q	95.3	Very high	96.4	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.023	24%	0.242	C	C	.	.	S	Bend	trans	54.9	47.5	179.2	-59.6	-72.5	-90.2	0	0	112.4	L413 K414 E415 S430 F520 Y579 F618 S619	L413-Q437 HydrophobicContact CB-CG 4.31Å; L413-Q437 HydrophobicContact CD1-CG 4.13Å; K414-Q437 PolarHBondContact O-NE2 2.95Å; E415-Q437 WeakPolarHBondContact OE2-CA 3.32Å; E415-Q437 PolarHBondContact OE2-N 3.2Å; E415-Q437 PolarHBondContact OE2-NE2 3.38Å; E415-Q437 VanDerWaalsContact OE2-NE2 3.16Å; S430-Q437 PolarHBondContact OG-N 2.92Å; S430-Q437 VanDerWaalsContact OG-N 3.14Å; Q437-F520 VanDerWaalsContact C-CE1 3.48Å; Q437-F520 HydrophobicContact CB-CE1 4.17Å; Q437-Y579 PolarHBondContact OE1-OH 2.99Å; Q437-F618 CarbonylContact O-C 3.47Å; Q437-F618 WeakPolarHBondContact O-CA 3.09Å; Q437-S619 VanDerWaalsContact CB-OG 3.28Å; Q437-S619 WeakPolarHBondContact CB-OG 3.34Å; Q437-S619 PolarHBondContact O-N 2.96Å; Q437-S619 VanDerWaalsContact O-N 3.15Å
438	R	96.8	Very high	96.4	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.9	175.5	-55.7	176.1	-172.4	177.6	-4.7	110.2	N429 S430 L433 N434 T436 F596 T605 G617 F618 E623 N624	N429-R438 CarbonylContact C-O 3.59Å; S430-R438 PolarHBondContact N-O 3.34Å; S430-R438 PolarHBondContact OG-N 2.92Å; S430-R438 PolarHBondContact OG-O 2.96Å; L433-R438 HydrophobicContact CB-CB 4.26Å; L433-R438 HydrophobicContact CD1-CB 3.71Å; L433-R438 PolarHBondContact O-NH1 3.42Å; N434-R438 PolarHBondContact O-NH1 3.42Å; T436-R438 VanDerWaalsContact C-N 3.33Å; T436-R438 PolarHBondContact O-N 2.76Å; R438-F596 HydrophobicContact CG-CE1 4.36Å; R438-F596 HydrophobicContact CG-CE2 4.46Å; R438-F596 HydrophobicContact CG-CZ 4.14Å; R438-T605 PolarHBondContact NH1-OG1 3.06Å; R438-T605 VanDerWaalsContact NH1-OG1 3.09Å; R438-G617 CarbonylContact C-O 3.5Å; R438-G617 WeakPolarHBondContact CA-O 3.41Å; R438-F618 HydrophobicContact CG-CB 4.26Å; R438-E623 PolarHBondContact NH2-O 3.49Å; R438-N624 VanDerWaalsContact CG-OD1 3.32Å; R438-N624 WeakPolarHBondContact CG-OD1 3.46Å; R438-N624 PolarHBondContact NE-OD1 3.44Å; R438-N624 PolarHBondContact NH2-OD1 3.28Å
439	V	98	Very high	96.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.5	173.8	71.2	0	0	0	0	111.6	L426 L441 Y519 F520 V616 G617	L426-V439 HydrophobicContact CD1-CG2 3.5Å; L426-V439 VanDerWaalsContact CD1-CG2 3.5Å; V439-L441 HydrophobicContact CG1-CG 4.42Å; V439-L441 HydrophobicContact CG2-CD1 4.39Å; V439-L441 HydrophobicContact CG2-CD2 3.57Å; V439-L441 HydrophobicContact CG2-CG 3.78Å; V439-Y519 HydrophobicContact CB-CD1 3.78Å; V439-Y519 HydrophobicContact CB-CE1 3.42Å; V439-Y519 VanDerWaalsContact CB-CE1 3.42Å; V439-Y519 HydrophobicContact CB-CE2 4.4Å; V439-Y519 HydrophobicContact CB-CG 4.42Å; V439-Y519 HydrophobicContact CG1-CD1 3.91Å; V439-Y519 HydrophobicContact CG1-CE1 4.09Å; V439-Y519 HydrophobicContact CG1-CG 4.39Å; V439-Y519 HydrophobicContact CG2-CD1 3.96Å; V439-Y519 HydrophobicContact CG2-CD2 4.03Å; V439-Y519 HydrophobicContact CG2-CE1 3.54Å; V439-Y519 HydrophobicContact CG2-CE2 3.58Å; V439-Y519 HydrophobicContact CG2-CG 4.19Å; V439-F520 HydrophobicContact CB-CZ 4.42Å; V439-F520 HydrophobicContact CG1-CE2 4.32Å; V439-F520 HydrophobicContact CG1-CZ 4.02Å; V439-V616 WeakPolarHBondContact O-CA 3.37Å; V439-G617 PolarHBondContact N-O 3.21Å; V439-G617 PolarHBondContact O-N 2.88Å
440	L	98.4	Very high	96.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.1	168.5	-171.8	69	0	0	0	109.2	V427 Q428 L433 I608 R614 L615 V616	V427-L440 HydrophobicContact CB-CB 4.34Å; V427-L440 HydrophobicContact CB-CD2 4.08Å; V427-L440 HydrophobicContact CB-CG 4.09Å; V427-L440 WeakPolarHBondContact CB-O 3.38Å; V427-L440 HydrophobicContact CG1-CD2 3.94Å; V427-L440 HydrophobicContact CG1-CG 4.49Å; V427-L440 PolarHBondContact N-O 2.73Å; Q428-L440 HydrophobicContact CB-CB 4.01Å; Q428-L440 HydrophobicContact CB-CD2 4.45Å; Q428-L440 HydrophobicContact CG-CD2 4.42Å; Q428-L440 PolarHBondContact N-O 3.23Å; Q428-L440 PolarHBondContact O-N 3.44Å; L433-L440 HydrophobicContact CD1-CB 4.31Å; L440-I608 HydrophobicContact CD1-CD1 4.3Å; L440-I608 HydrophobicContact CD1-CG1 4.39Å; L440-I608 HydrophobicContact CD1-CG2 3.62Å; L440-I608 HydrophobicContact CD2-CG2 4.36Å; L440-R614 HydrophobicContact CD1-CG 3.73Å; L440-L615 WeakPolarHBondContact CA-O 3.4Å; L440-V616 HydrophobicContact CD1-CG2 3.76Å
441	L	98.4	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.2	179.1	-54.8	175.9	0	0	0	109.9	L419 V424 Q425 L426 V439 V444 I515 R614 L615	L419-L441 HydrophobicContact CD2-CD1 4.3Å; L419-L441 HydrophobicContact CD2-CD2 4.01Å; V424-L441 HydrophobicContact CG1-CB 4.06Å; V424-L441 HydrophobicContact CG1-CD1 4.02Å; V424-L441 HydrophobicContact CG1-CD2 4.48Å; V424-L441 HydrophobicContact CG1-CG 4.41Å; Q425-L441 CarbonylContact O-C 3.59Å; Q425-L441 VanDerWaalsContact O-CA 3.25Å; Q425-L441 WeakPolarHBondContact O-CA 3.38Å; L426-L441 HydrophobicContact CB-CD2 4.03Å; L426-L441 HydrophobicContact CD1-CD2 3.64Å; L426-L441 HydrophobicContact CG-CD2 4.46Å; V439-L441 HydrophobicContact CG1-CG 4.42Å; V439-L441 HydrophobicContact CG2-CD1 4.39Å; V439-L441 HydrophobicContact CG2-CD2 3.57Å; V439-L441 HydrophobicContact CG2-CG 3.78Å; L441-V444 HydrophobicContact CB-CG2 4.17Å; L441-I515 HydrophobicContact CD1-CG2 3.3Å; L441-R614 CarbonylContact O-C 3.58Å; L441-R614 WeakPolarHBondContact O-CA 3.24Å; L441-L615 HydrophobicContact CB-CB 4.36Å; L441-L615 HydrophobicContact CD1-CD2 4.31Å; L441-L615 PolarHBondContact N-O 2.88Å; L441-L615 PolarHBondContact O-N 3.44Å
442	D	98.2	Very high	96.5	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	163.3	171.9	-78.2	-20.5	0	0	0	110.4	Q425 V427 V444 K611 G613 R614	Q425-D442 PolarHBondContact N-O 2.98Å; Q425-D442 PolarHBondContact O-N 2.61Å; V427-D442 HydrophobicContact CG2-CB 3.71Å; V427-D442 VanDerWaalsContact CG2-OD2 3.25Å; V427-D442 WeakPolarHBondContact CG2-OD2 3.4Å; D442-V444 VanDerWaalsContact C-N 3.31Å; D442-V444 PolarHBondContact O-N 3.02Å; D442-K611 VanDerWaalsContact CG-NZ 3.35Å; D442-K611 WeakPolarHBondContact OD1-CE 3.38Å; D442-K611 IonicContact OD1-NZ 2.67Å; D442-K611 WeakPolarHBondContact OD2-CE 3.45Å; D442-K611 IonicContact OD2-NZ 2.93Å; D442-K611 PolarHBondContact OD2-NZ 3.34Å; D442-G613 CarbonylContact C-O 3.51Å; D442-R614 WeakPolarHBondContact OD1-CB 3.46Å; D442-R614 WeakPolarHBondContact OD1-CG 3.25Å; D442-R614 IonicContact OD1-CZ 2.88Å; D442-R614 IonicContact OD1-NE 3.42Å; D442-R614 PolarHBondContact OD1-NE 2.74Å; D442-R614 IonicContact OD1-NH2 3.07Å; D442-R614 PolarHBondContact OD1-NH2 2.74Å; D442-R614 IonicContact OD2-CZ 3.91Å; D442-R614 IonicContact OD2-NE 2.98Å; D442-R614 IonicContact OD2-NH2 3.91Å; D442-R614 PolarHBondContact OD2-NH2 2.83Å
443	H	97.1	Very high	96.6	Very high	87 Å²	87	39.3 Å²	39.3	40%	0.403	21%	0.212	S	C	.	.			trans	61.5	34.5	175.8	-54.1	-64.6	0	0	0	114.3	S423 I445 G613	S423-H443 WeakPolarHBondContact O-CB 3.34Å; S423-H443 PolarHBondContact OG-O 3Å; H443-I445 VanDerWaalsContact C-N 3.34Å; H443-G613 PolarHBondContact N-O 2.82Å; H443-G613 VanDerWaalsContact N-O 3.07Å
444	V	97.8	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-69.7	-33.4	172.7	175.3	0	0	0	0	112.2	V424 L441 D442 R511 V512 I515 L583 G613 L615	V424-V444 HydrophobicContact CG1-CG2 4.23Å; V424-V444 HydrophobicContact CG2-CG2 4.2Å; L441-V444 HydrophobicContact CB-CG2 4.17Å; D442-V444 VanDerWaalsContact C-N 3.31Å; D442-V444 PolarHBondContact O-N 3.02Å; V444-R511 WeakPolarHBondContact O-CD 3.39Å; V444-R511 PolarHBondContact O-NH1 3.43Å; V444-V512 HydrophobicContact CG1-CG2 4.19Å; V444-I515 HydrophobicContact CG1-CD1 3.74Å; V444-I515 HydrophobicContact CG2-CD1 4.16Å; V444-L583 HydrophobicContact CB-CD1 3.84Å; V444-L583 HydrophobicContact CG1-CD1 3.94Å; V444-L583 HydrophobicContact CG1-CD2 4.46Å; V444-G613 PolarHBondContact N-O 2.65Å; V444-L615 HydrophobicContact CB-CB 4.44Å; V444-L615 HydrophobicContact CG2-CB 3.69Å; V444-L615 HydrophobicContact CG2-CD2 4.07Å
445	I	97.7	Very high	96.3	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.221	C	C	.	.	S	Bend	trans	-133.6	157.5	170.2	57.2	169	0	0	0	109.6	H443 E449 C450 L453 T508 L583 L585	H443-I445 VanDerWaalsContact C-N 3.34Å; I445-E449 WeakPolarHBondContact CA-OE2 3.47Å; I445-E449 HydrophobicContact CB-CB 3.98Å; I445-E449 VanDerWaalsContact CB-OE2 3.31Å; I445-E449 WeakPolarHBondContact CB-OE2 3.48Å; I445-C450 HydrophobicContact CD1-CB 4.37Å; I445-C450 WeakPolarHBondContact CD1-SG 3.39Å; I445-L453 HydrophobicContact CD1-CD1 4.14Å; I445-T508 HydrophobicContact CG2-CG2 3.72Å; I445-L583 HydrophobicContact CD1-CD2 3.95Å; I445-L583 HydrophobicContact CD1-CG 4.39Å; I445-L583 HydrophobicContact CG1-CD1 4.41Å; I445-L583 HydrophobicContact CG1-CD2 4.19Å; I445-L583 HydrophobicContact CG2-CD2 4.09Å; I445-L585 HydrophobicContact CD1-CD2 3.71Å
446	S	97.3	Very high	96.2	Very high	53 Å²	53	41 Å²	41	37%	0.371	21%	0.21	S	C	.	.			trans	-77	164.3	177.4	78.8	0	0	0	0	112.1	E448 E449 C450	S446-E448 PolarHBondContact O-N 2.53Å; S446-E448 PolarHBondContact OG-N 3.24Å; S446-E449 PolarHBondContact N-OE2 3.14Å; S446-E449 PolarHBondContact O-N 3.42Å; S446-E449 WeakPolarHBondContact OG-CG 3.46Å; S446-E449 PolarHBondContact OG-N 2.87Å; S446-E449 VanDerWaalsContact OG-N 3.07Å; S446-C450 PolarHBondContact O-N 3.31Å; S446-C450 PolarHBondContact O-SG 2.9Å
447	E	96.6	Very high	95.9	Very high	137 Å²	137	37.1 Å²	37.1	64%	0.64	19%	0.186	S	C	*	.	H	α-helix	trans	-60.9	-32.5	173.5	-67	-69.4	162.9	0	0	112.2	A451 C612	E447-A451 PolarHBondContact O-N 2.96Å; E447-C612 VanDerWaalsContact CD-SG 3.53Å; E447-C612 WeakPolarHBondContact OE2-CB 3.27Å; E447-C612 PolarHBondContact OE2-SG 2.88Å; E447-C612 VanDerWaalsContact OE2-SG 3.41Å
448	E	97.2	Very high	95.4	Very high	165 Å²	165	41.9 Å²	41.9	77%	0.771	21%	0.208	S	C	*	.	H	α-helix	trans	-68.9	-45.2	175	-65	177.3	-179.6	0	0	111.1	S446 C450 A451 E452	S446-E448 PolarHBondContact O-N 2.53Å; S446-E448 PolarHBondContact OG-N 3.24Å; E448-C450 VanDerWaalsContact C-N 3.33Å; E448-C450 PolarHBondContact O-N 3.48Å; E448-A451 PolarHBondContact O-N 2.9Å; E448-E452 PolarHBondContact O-N 2.8Å
449	E	97.6	Very high	94.7	Very high	36 Å²	36	44.8 Å²	44.8	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-40.1	175.8	-70.9	175.9	136	0	0	111	I445 S446 E452 L453 L504 R511	I445-E449 WeakPolarHBondContact CA-OE2 3.47Å; I445-E449 HydrophobicContact CB-CB 3.98Å; I445-E449 VanDerWaalsContact CB-OE2 3.31Å; I445-E449 WeakPolarHBondContact CB-OE2 3.48Å; S446-E449 PolarHBondContact N-OE2 3.14Å; S446-E449 PolarHBondContact O-N 3.42Å; S446-E449 WeakPolarHBondContact OG-CG 3.46Å; S446-E449 PolarHBondContact OG-N 2.87Å; S446-E449 VanDerWaalsContact OG-N 3.07Å; E449-E452 PolarHBondContact O-N 3.38Å; E449-L453 WeakPolarHBondContact O-CB 3.47Å; E449-L453 WeakPolarHBondContact O-CG 3.31Å; E449-L453 PolarHBondContact O-N 3.2Å; E449-L504 HydrophobicContact CB-CD1 4.35Å; E449-L504 HydrophobicContact CB-CD2 4.16Å; E449-L504 HydrophobicContact CG-CD1 3.87Å; E449-L504 HydrophobicContact CG-CD2 4.28Å; E449-R511 IonicContact OE1-CZ 2.86Å; E449-R511 IonicContact OE1-NH1 2.92Å; E449-R511 PolarHBondContact OE1-NH1 3.21Å; E449-R511 IonicContact OE1-NH2 3.7Å; E449-R511 PolarHBondContact OE1-NH2 3.27Å; E449-R511 IonicContact OE2-CZ 3.82Å; E449-R511 IonicContact OE2-NH1 3.91Å; E449-R511 PolarHBondContact OE2-NH1 3.38Å
450	C	97.4	Very high	93.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-46.7	173.6	-78.7	0	0	0	0	112.7	I445 S446 E448 L453 R454 L585 C612 G613	I445-C450 HydrophobicContact CD1-CB 4.37Å; I445-C450 WeakPolarHBondContact CD1-SG 3.39Å; S446-C450 PolarHBondContact O-N 3.31Å; S446-C450 PolarHBondContact O-SG 2.9Å; E448-C450 VanDerWaalsContact C-N 3.33Å; E448-C450 PolarHBondContact O-N 3.48Å; C450-L453 PolarHBondContact O-N 2.9Å; C450-R454 WeakPolarHBondContact O-CB 3.49Å; C450-R454 PolarHBondContact O-N 3.35Å; C450-L585 WeakPolarHBondContact CB-O 3.35Å; C450-C612 HydrophobicContact CB-CB 3.9Å; C450-C612 WeakPolarHBondContact CB-SG 3.46Å; C450-C612 VanDerWaalsContact SG-CA 3.53Å; C450-C612 WeakPolarHBondContact SG-CB 3.21Å; C450-C612 CovalentContact SG-SG 2.03Å; C450-C612 PolarHBondContact SG-SG 3.44Å; C450-G613 PolarHBondContact SG-N 2.88Å; C450-G613 VanDerWaalsContact SG-N 3.38Å
451	A	95.8	Very high	91.9	Very high	33 Å²	33	45.3 Å²	45.3	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-45.5	179	0	0	0	0	0	110.9	E447 E448 L453 R454 D455	E447-A451 PolarHBondContact O-N 2.96Å; E448-A451 PolarHBondContact O-N 2.9Å; A451-L453 PolarHBondContact O-N 2.82Å; A451-R454 PolarHBondContact O-N 3.15Å; A451-D455 VanDerWaalsContact O-CG 3.31Å; A451-D455 PolarHBondContact O-N 2.79Å
452	E	96	Very high	90	Very high	64 Å²	64	49.7 Å²	49.7	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-41.2	178.7	-173.3	167.7	-176.2	0	0	112.3	E448 E449 D455 L456 S501 L504	E448-E452 PolarHBondContact O-N 2.8Å; E449-E452 PolarHBondContact O-N 3.38Å; E452-D455 PolarHBondContact O-N 2.94Å; E452-L456 WeakPolarHBondContact O-CB 2.95Å; E452-L456 PolarHBondContact O-N 2.88Å; E452-S501 WeakPolarHBondContact CG-OG 3.29Å; E452-S501 VanDerWaalsContact OE1-CA 3.3Å; E452-S501 WeakPolarHBondContact OE1-CA 3.42Å; E452-S501 WeakPolarHBondContact OE1-CB 3.13Å; E452-S501 PolarHBondContact OE1-N 2.84Å; E452-S501 PolarHBondContact OE1-OG 2.99Å; E452-L504 HydrophobicContact CB-CD2 3.9Å; E452-L504 HydrophobicContact CG-CD2 3.95Å
453	L	95.6	Very high	87.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.5	-31.9	175.9	-69.8	179.9	0	0	0	113.2	I445 E449 C450 A451 L456 A457 L504 F505 T508 L585	I445-L453 HydrophobicContact CD1-CD1 4.14Å; E449-L453 WeakPolarHBondContact O-CB 3.47Å; E449-L453 WeakPolarHBondContact O-CG 3.31Å; E449-L453 PolarHBondContact O-N 3.2Å; C450-L453 PolarHBondContact O-N 2.9Å; A451-L453 PolarHBondContact O-N 2.82Å; L453-L456 HydrophobicContact CD2-CD2 4.2Å; L453-A457 WeakPolarHBondContact O-CB 3.45Å; L453-A457 PolarHBondContact O-N 3.05Å; L453-L504 HydrophobicContact CD2-CB 4.43Å; L453-L504 HydrophobicContact CD2-CD2 4.16Å; L453-L504 HydrophobicContact CD2-CG 4.03Å; L453-L504 HydrophobicContact CG-CD2 4.03Å; L453-L504 HydrophobicContact CG-CG 4.23Å; L453-F505 HydrophobicContact CD2-CB 3.67Å; L453-F505 HydrophobicContact CD2-CG 4.43Å; L453-T508 HydrophobicContact CD1-CG2 4.13Å; L453-L585 HydrophobicContact CB-CD1 3.85Å; L453-L585 HydrophobicContact CB-CD2 4.12Å; L453-L585 HydrophobicContact CD1-CD2 3.9Å
454	R	93.4	Very high	85.4	Confident	67 Å²	67	47 Å²	47	25%	0.253	25%	0.252	S	S	.	.	H	α-helix	trans	-70.5	-42.2	174.2	-174.4	178.7	60	-158.4	-8.3	111.2	C450 A451 L456 A457 H458 D588	C450-R454 WeakPolarHBondContact O-CB 3.49Å; C450-R454 PolarHBondContact O-N 3.35Å; A451-R454 PolarHBondContact O-N 3.15Å; R454-L456 VanDerWaalsContact C-N 3.33Å; R454-A457 WeakPolarHBondContact O-CB 3.39Å; R454-A457 PolarHBondContact O-N 3.01Å; R454-A457 VanDerWaalsContact O-N 3.16Å; R454-H458 PolarHBondContact O-CD2 3.1Å; R454-H458 PolarHBondContact O-N 3.4Å; R454-D588 IonicContact NH1-OD1 3.19Å; R454-D588 IonicContact NH1-OD2 2.81Å
455	D	91.3	Very high	82.9	Confident	99 Å²	99	48.5 Å²	48.5	53%	0.529	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-40.4	175.3	-69.9	-11.5	0	0	0	111	A451 E452 A457 H458 A459	A451-D455 VanDerWaalsContact O-CG 3.31Å; A451-D455 PolarHBondContact O-N 2.79Å; E452-D455 PolarHBondContact O-N 2.94Å; D455-A457 VanDerWaalsContact C-N 3.34Å; D455-A457 PolarHBondContact O-N 2.88Å; D455-H458 PolarHBondContact O-N 3.36Å; D455-A459 PolarHBondContact O-N 3.42Å
456	L	91	Very high	80.2	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-49.6	170	179.3	66.1	0	0	0	110.4	E452 L453 R454 H458 A459 V460 T488 V497 S501 F505 L533	E452-L456 WeakPolarHBondContact O-CB 2.95Å; E452-L456 PolarHBondContact O-N 2.88Å; L453-L456 HydrophobicContact CD2-CD2 4.2Å; R454-L456 VanDerWaalsContact C-N 3.33Å; L456-H458 VanDerWaalsContact C-N 3.33Å; L456-H458 PolarHBondContact O-N 2.72Å; L456-A459 PolarHBondContact O-N 3.36Å; L456-V460 HydrophobicContact CD1-CG1 3.94Å; L456-V460 HydrophobicContact CD1-CG2 4.22Å; L456-V460 HydrophobicContact CG-CG2 4.1Å; L456-V460 WeakPolarHBondContact O-CG2 3.45Å; L456-V460 PolarHBondContact O-N 3.21Å; L456-T488 HydrophobicContact CD2-CG2 4.26Å; L456-T488 HydrophobicContact CG-CG2 4.47Å; L456-V497 HydrophobicContact CD1-CB 3.9Å; L456-V497 HydrophobicContact CD1-CG1 4.06Å; L456-V497 HydrophobicContact CD1-CG2 3.8Å; L456-S501 WeakPolarHBondContact CD2-O 3.2Å; L456-F505 HydrophobicContact CD2-CB 3.85Å; L456-F505 HydrophobicContact CD2-CG 4.46Å; L456-L533 HydrophobicContact CD2-CD2 4.37Å; L456-L533 HydrophobicContact CG-CD2 4.43Å
457	A	87.6	Confident	77.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-47.5	177.4	0	0	0	0	0	111.3	L453 R454 D455 A459 V460 T461 L533 C535	L453-A457 WeakPolarHBondContact O-CB 3.45Å; L453-A457 PolarHBondContact O-N 3.05Å; R454-A457 WeakPolarHBondContact O-CB 3.39Å; R454-A457 PolarHBondContact O-N 3.01Å; R454-A457 VanDerWaalsContact O-N 3.16Å; D455-A457 VanDerWaalsContact C-N 3.34Å; D455-A457 PolarHBondContact O-N 2.88Å; A457-A459 PolarHBondContact O-N 3.06Å; A457-V460 PolarHBondContact O-N 3.28Å; A457-T461 HydrophobicContact CB-CG2 3.99Å; A457-T461 WeakPolarHBondContact O-CB 3.05Å; A457-T461 WeakPolarHBondContact O-CG2 3.19Å; A457-T461 PolarHBondContact O-N 3.18Å; A457-T461 PolarHBondContact O-OG1 3.22Å; A457-L533 HydrophobicContact CB-CD1 4.29Å; A457-L533 HydrophobicContact CB-CD2 3.78Å; A457-L533 HydrophobicContact CB-CG 4Å; A457-C535 VanDerWaalsContact CB-SG 3.6Å
458	H	83.7	Confident	75.4	Confident	106 Å²	106	52.4 Å²	52.4	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-32	177	-74.9	-63.3	0	0	0	114.2	R454 D455 L456 Q635	R454-H458 PolarHBondContact O-CD2 3.1Å; R454-H458 PolarHBondContact O-N 3.4Å; D455-H458 PolarHBondContact O-N 3.36Å; L456-H458 VanDerWaalsContact C-N 3.33Å; L456-H458 PolarHBondContact O-N 2.72Å; H458-Q635 PolarHBondContact CE1-OE1 3.5Å; H458-Q635 PolarHBondContact NE2-OE1 3.27Å
459	A	81.9	Confident	73.1	Confident	66 Å²	66	46.8 Å²	46.8	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-86.5	-33.7	-177.1	0	0	0	0	0	113.9	D455 L456 A457 V497	D455-A459 PolarHBondContact O-N 3.42Å; L456-A459 PolarHBondContact O-N 3.36Å; A457-A459 PolarHBondContact O-N 3.06Å; A459-V497 HydrophobicContact CB-CG1 3.6Å
460	V	72.8	Confident	70.7	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-102.5	-25.2	-176.1	-70.8	0	0	0	0	114.7	L456 A457 M462 A483 T488 Y491 V497	L456-V460 HydrophobicContact CD1-CG1 3.94Å; L456-V460 HydrophobicContact CD1-CG2 4.22Å; L456-V460 HydrophobicContact CG-CG2 4.1Å; L456-V460 WeakPolarHBondContact O-CG2 3.45Å; L456-V460 PolarHBondContact O-N 3.21Å; A457-V460 PolarHBondContact O-N 3.28Å; V460-M462 PolarHBondContact O-N 3.4Å; V460-A483 HydrophobicContact CB-CB 4.39Å; V460-A483 HydrophobicContact CG2-CB 3.77Å; V460-T488 HydrophobicContact CB-CG2 4.34Å; V460-T488 HydrophobicContact CG1-CG2 4.33Å; V460-T488 HydrophobicContact CG2-CG2 3.77Å; V460-Y491 HydrophobicContact CB-CD2 4.04Å; V460-Y491 HydrophobicContact CB-CE2 4.41Å; V460-Y491 HydrophobicContact CG1-CD2 3.5Å; V460-Y491 VanDerWaalsContact CG1-CD2 3.5Å; V460-Y491 HydrophobicContact CG1-CE2 4.33Å; V460-Y491 HydrophobicContact CG1-CG 4.24Å; V460-V497 HydrophobicContact CG1-CB 4.34Å; V460-V497 HydrophobicContact CG1-CG1 3.48Å; V460-V497 VanDerWaalsContact CG1-CG1 3.48Å; V460-V497 HydrophobicContact CG1-CG2 3.98Å
461	T	64.5	Low	69.1	Low	15 Å²	15	51.4 Å²	51.4	9%	0.092	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.9	129.9	-174.8	63.9	0	0	0	0	109.6	A457 E481 G482 A483	A457-T461 HydrophobicContact CB-CG2 3.99Å; A457-T461 WeakPolarHBondContact O-CB 3.05Å; A457-T461 WeakPolarHBondContact O-CG2 3.19Å; A457-T461 PolarHBondContact O-N 3.18Å; A457-T461 PolarHBondContact O-OG1 3.22Å; T461-E481 HydrophobicContact CG2-CB 4.49Å; T461-G482 WeakPolarHBondContact CA-O 3.21Å; T461-A483 HydrophobicContact CG2-CB 4.28Å
462	M	60.4	Low	67.5	Low	93 Å²	93	50.7 Å²	50.7	46%	0.458	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	147.8	169.7	-64.9	-167.1	-68.4	0	0	108.8	V460 G464 D465	V460-M462 PolarHBondContact O-N 3.4Å; M462-G464 PolarHBondContact O-N 2.92Å; M462-D465 HydrophobicContact CB-CB 4.06Å; M462-D465 VanDerWaalsContact O-CB 3.28Å; M462-D465 WeakPolarHBondContact O-CB 3.38Å; M462-D465 PolarHBondContact O-N 3Å
463	A	52.7	Low	65.6	Low	41 Å²	41	49.1 Å²	49.1	34%	0.339	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	118.2	175.1	0	0	0	0	0	109.8	M471	A463-M471 HydrophobicContact CB-CG 3.72Å; A463-M471 HydrophobicContact CB-SD 3.8Å
464	G	44.4	Very low	64.2	Low	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	7.1	-179	0	0	0	0	0	118.5	M462 G466 Y467 G469 R470 F480	M462-G464 PolarHBondContact O-N 2.92Å; G464-G466 PolarHBondContact O-N 3.23Å; G464-Y467 PolarHBondContact O-N 3Å; G464-G469 VanDerWaalsContact CA-C 3.43Å; G464-G469 CarbonylContact O-C 3.49Å; G464-G469 VanDerWaalsContact O-C 3.29Å; G464-G469 WeakPolarHBondContact O-CA 3.39Å; G464-G469 PolarHBondContact O-N 3.44Å; G464-R470 WeakPolarHBondContact CA-O 2.98Å; G464-R470 PolarHBondContact O-N 3.25Å; G464-F480 PolarHBondContact N-O 3.21Å
465	D	46.9	Very low	63.1	Low	30 Å²	30	48.4 Å²	48.4	16%	0.16	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	124.7	174.2	-171.1	24	0	0	0	111.3	M462 F480 G482 K487 H532	M462-D465 HydrophobicContact CB-CB 4.06Å; M462-D465 VanDerWaalsContact O-CB 3.28Å; M462-D465 WeakPolarHBondContact O-CB 3.38Å; M462-D465 PolarHBondContact O-N 3Å; D465-F480 WeakPolarHBondContact O-CE1 3.25Å; D465-G482 WeakPolarHBondContact CB-O 3.45Å; D465-G482 VanDerWaalsContact CG-O 3.24Å; D465-G482 CarbonylContact O-C 3.54Å; D465-G482 WeakPolarHBondContact O-CA 3.41Å; D465-G482 PolarHBondContact O-N 3.18Å; D465-K487 VanDerWaalsContact CG-NZ 3.26Å; D465-K487 IonicContact OD1-NZ 3.44Å; D465-K487 PolarHBondContact OD1-NZ 3.39Å; D465-K487 WeakPolarHBondContact OD2-CE 3.32Å; D465-K487 IonicContact OD2-NZ 2.8Å; D465-K487 PolarHBondContact OD2-NZ 3.41Å; D465-H532 PolarHBondContact O-NE2 3.27Å
466	G	39.7	Very low	62.2	Low	18 Å²	18	44.5 Å²	44.5	19%	0.186	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.9	-20.8	-171	0	0	0	0	0	116.1	G464 H532	G464-G466 PolarHBondContact O-N 3.23Å; G466-H532 VanDerWaalsContact CA-CE1 3.42Å; G466-H532 WeakPolarHBondContact CA-CE1 3.12Å; G466-H532 VanDerWaalsContact CA-NE2 3.3Å; G466-H532 WeakPolarHBondContact CA-NE2 3.42Å
467	Y	47.3	Very low	61.7	Low	77 Å²	77	45.7 Å²	45.7	30%	0.302	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	59.9	166.4	-71.2	-86.5	0	0	0	109.2	G464 G469 R470 P473 H474 F480	G464-Y467 PolarHBondContact O-N 3Å; Y467-G469 PolarHBondContact O-N 3.42Å; Y467-G469 VanDerWaalsContact O-N 3.08Å; Y467-R470 WeakPolarHBondContact O-CB 3.41Å; Y467-R470 VanDerWaalsContact O-CG 3.25Å; Y467-R470 WeakPolarHBondContact O-CG 3.48Å; Y467-R470 PolarHBondContact O-N 3.12Å; Y467-R470 VanDerWaalsContact O-N 3.14Å; Y467-P473 HydrophobicContact CD1-CB 4.48Å; Y467-P473 HydrophobicContact CD2-CB 4.05Å; Y467-P473 HydrophobicContact CD2-CG 3.71Å; Y467-P473 HydrophobicContact CE2-CG 4.32Å; Y467-P473 HydrophobicContact CG-CB 3.89Å; Y467-P473 HydrophobicContact CG-CG 4.08Å; Y467-H474 AromaticContact CE2-NE2 3.6Å; Y467-H474 AromaticContact CZ-CE1 3.98Å; Y467-H474 AromaticContact CZ-NE2 3.38Å; Y467-H474 PolarHBondContact OH-NE2 3.28Å; Y467-F480 HydrophobicContact CD2-CD1 4.07Å; Y467-F480 HydrophobicContact CD2-CD2 4.45Å; Y467-F480 AromaticContact CD2-CE1 3.5Å; Y467-F480 HydrophobicContact CD2-CE1 3.5Å; Y467-F480 VanDerWaalsContact CD2-CE1 3.5Å; Y467-F480 AromaticContact CD2-CE2 3.9Å; Y467-F480 HydrophobicContact CD2-CE2 3.9Å; Y467-F480 AromaticContact CD2-CZ 3.4Å; Y467-F480 HydrophobicContact CD2-CZ 3.4Å; Y467-F480 VanDerWaalsContact CD2-CZ 3.4Å; Y467-F480 HydrophobicContact CE2-CD2 4.42Å; Y467-F480 AromaticContact CE2-CE1 3.95Å; Y467-F480 HydrophobicContact CE2-CE1 3.95Å; Y467-F480 AromaticContact CE2-CE2 3.59Å; Y467-F480 HydrophobicContact CE2-CE2 3.59Å; Y467-F480 AromaticContact CE2-CZ 3.32Å; Y467-F480 HydrophobicContact CE2-CZ 3.32Å
468	R	46.5	Very low	61.5	Low	184 Å²	184	46 Å²	46	69%	0.694	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	21.7	173.3	-56.3	-178.9	-179.8	174.3	0.1	116.2
469	G	47.7	Very low	61.4	Low	46 Å²	46	45.9 Å²	45.9	47%	0.474	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	4.1	179.6	0	0	0	0	0	114.8	G464 Y467 M471	G464-G469 VanDerWaalsContact CA-C 3.43Å; G464-G469 CarbonylContact O-C 3.49Å; G464-G469 VanDerWaalsContact O-C 3.29Å; G464-G469 WeakPolarHBondContact O-CA 3.39Å; G464-G469 PolarHBondContact O-N 3.44Å; Y467-G469 PolarHBondContact O-N 3.42Å; Y467-G469 VanDerWaalsContact O-N 3.08Å; G469-M471 PolarHBondContact O-N 3.15Å
470	R	48.3	Very low	61.4	Low	53 Å²	53	43 Å²	43	20%	0.2	22%	0.219	C	C	.	.			trans	-74.8	111.6	-179.2	-67.9	177.5	-176.8	-142.8	-10.3	113.7	E120 D124 G464 Y467 S472 P473	E120-R470 WeakPolarHBondContact OE1-CG 3.25Å; E120-R470 IonicContact OE1-CZ 2.84Å; E120-R470 IonicContact OE1-NE 3.3Å; E120-R470 PolarHBondContact OE1-NE 2.87Å; E120-R470 IonicContact OE1-NH2 3.54Å; E120-R470 PolarHBondContact OE1-NH2 3.28Å; D124-R470 IonicContact OD1-CZ 3.75Å; D124-R470 VanDerWaalsContact OD1-CZ 3.29Å; D124-R470 IonicContact OD1-NH1 3.21Å; D124-R470 PolarHBondContact OD1-NH1 3.41Å; D124-R470 IonicContact OD1-NH2 2.97Å; D124-R470 PolarHBondContact OD1-NH2 2.89Å; D124-R470 IonicContact OD2-NH2 3.88Å; G464-R470 WeakPolarHBondContact CA-O 2.98Å; G464-R470 PolarHBondContact O-N 3.25Å; Y467-R470 WeakPolarHBondContact O-CB 3.41Å; Y467-R470 VanDerWaalsContact O-CG 3.25Å; Y467-R470 WeakPolarHBondContact O-CG 3.48Å; Y467-R470 PolarHBondContact O-N 3.12Å; Y467-R470 VanDerWaalsContact O-N 3.14Å; R470-S472 PolarHBondContact O-N 3.23Å; R470-P473 HydrophobicContact CB-CB 3.94Å; R470-P473 WeakPolarHBondContact O-CD 3.14Å
471	M	63.1	Low	61.8	Low	83 Å²	83	43.7 Å²	43.7	41%	0.409	22%	0.222	S	C	.	.	S	Bend	trans	-64.8	-20.6	177.7	-59.3	-165.3	-66.8	0	0	114.2	Y43 A463 G469 R479 F480	Y43-M471 HydrophobicContact CD2-CE 4.33Å; Y43-M471 HydrophobicContact CE2-CE 4.2Å; A463-M471 HydrophobicContact CB-CG 3.72Å; A463-M471 HydrophobicContact CB-SD 3.8Å; G469-M471 PolarHBondContact O-N 3.15Å; M471-R479 CarbonylContact O-C 3.54Å; M471-R479 VanDerWaalsContact O-CA 3.29Å; M471-R479 WeakPolarHBondContact O-CA 3.34Å; M471-F480 PolarHBondContact O-N 2.91Å
472	S	62.2	Low	62.8	Low	18 Å²	18	43 Å²	43	13%	0.126	22%	0.218	C	C	.	.	S	Bend	trans	-146.3	68.5	-177.6	-66.7	0	0	0	0	110.7	Y43 R470 H474 T475 E478	Y43-S472 VanDerWaalsContact OH-CB 3.23Å; Y43-S472 WeakPolarHBondContact OH-CB 3.47Å; Y43-S472 PolarHBondContact OH-OG 3.29Å; R470-S472 PolarHBondContact O-N 3.23Å; S472-H474 VanDerWaalsContact C-N 3.27Å; S472-H474 PolarHBondContact O-N 2.97Å; S472-T475 VanDerWaalsContact CB-O 3.29Å; S472-T475 WeakPolarHBondContact CB-O 3.45Å; S472-E478 WeakPolarHBondContact CB-O 3.25Å; S472-E478 PolarHBondContact OG-O 3.16Å
473	P	57	Low	63.9	Low	30 Å²	30	38.5 Å²	38.5	20%	0.195	20%	0.196	C	C	.	.	S	Bend	trans	-72.2	-18.1	-167.7	26.1	-29.9	0	0	0	114.3	Y467 R470 F480	Y467-P473 HydrophobicContact CD1-CB 4.48Å; Y467-P473 HydrophobicContact CD2-CB 4.05Å; Y467-P473 HydrophobicContact CD2-CG 3.71Å; Y467-P473 HydrophobicContact CE2-CG 4.32Å; Y467-P473 HydrophobicContact CG-CB 3.89Å; Y467-P473 HydrophobicContact CG-CG 4.08Å; R470-P473 HydrophobicContact CB-CB 3.94Å; R470-P473 WeakPolarHBondContact O-CD 3.14Å; P473-F480 HydrophobicContact CG-CB 3.8Å; P473-F480 HydrophobicContact CG-CD1 4.14Å; P473-F480 HydrophobicContact CG-CD2 3.89Å; P473-F480 HydrophobicContact CG-CG 3.67Å
474	H	65.5	Low	65.6	Low	48 Å²	48	37.1 Å²	37.1	22%	0.222	18%	0.183	C	C	.	.	S	Bend	trans	-119.5	-39	-174.8	-63	-70.2	0	0	0	113.3	Y467 S472 R536 S550 H551	Y467-H474 AromaticContact CE2-NE2 3.6Å; Y467-H474 AromaticContact CZ-CE1 3.98Å; Y467-H474 AromaticContact CZ-NE2 3.38Å; Y467-H474 PolarHBondContact OH-NE2 3.28Å; S472-H474 VanDerWaalsContact C-N 3.27Å; S472-H474 PolarHBondContact O-N 2.97Å; H474-R536 PolarHBondContact CD2-NH2 2.98Å; H474-R536 PolarHBondContact NE2-NH2 3.18Å; H474-S550 VanDerWaalsContact CB-O 3.22Å; H474-S550 WeakPolarHBondContact CB-O 3.38Å; H474-H551 AromaticContact CE1-NE2 3.77Å; H474-H551 AromaticContact NE2-CD2 3.94Å; H474-H551 AromaticContact NE2-NE2 3.87Å
475	T	70	Confident	67.7	Low	5 Å²	5	37.4 Å²	37.4	3%	0.031	19%	0.185	C	C	.	.			trans	-146.5	138	179.2	172.1	0	0	0	0	109.2	S472 N477 E478 D548	S472-T475 VanDerWaalsContact CB-O 3.29Å; S472-T475 WeakPolarHBondContact CB-O 3.45Å; T475-N477 PolarHBondContact O-N 3.5Å; T475-N477 VanDerWaalsContact O-N 3.17Å; T475-N477 PolarHBondContact OG1-N 3.46Å; T475-N477 PolarHBondContact OG1-ND2 3.26Å; T475-E478 HydrophobicContact CG2-CB 3.98Å; T475-E478 HydrophobicContact CG2-CG 3.98Å; T475-E478 PolarHBondContact O-N 3.44Å; T475-D548 PolarHBondContact OG1-OD2 3.2Å; T475-D548 VanDerWaalsContact OG1-OD2 3.06Å
476	P	72.2	Confident	69.4	Low	16 Å²	16	36.7 Å²	36.7	10%	0.104	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.6	177.8	28.9	-35.4	0	0	0	113	F42 L136 E478 I539 Q542	F42-P476 HydrophobicContact CE1-CB 4.33Å; L136-P476 HydrophobicContact CD1-CG 4.17Å; P476-E478 VanDerWaalsContact C-N 3.34Å; P476-I539 WeakPolarHBondContact O-CD1 3.29Å; P476-Q542 PolarHBondContact O-OE1 3.29Å
477	N	81	Confident	71.5	Confident	29 Å²	29	37.5 Å²	37.5	16%	0.155	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.9	-174.8	-58.4	-45	0	0	0	114.1	T475 I539 Q543 R546 D548	T475-N477 PolarHBondContact O-N 3.5Å; T475-N477 VanDerWaalsContact O-N 3.17Å; T475-N477 PolarHBondContact OG1-N 3.46Å; T475-N477 PolarHBondContact OG1-ND2 3.26Å; N477-I539 WeakPolarHBondContact O-CB 3.4Å; N477-I539 WeakPolarHBondContact O-CG1 3.42Å; N477-I539 PolarHBondContact O-N 3.02Å; N477-I539 VanDerWaalsContact O-N 3.1Å; N477-Q543 PolarHBondContact O-NE2 3.46Å; N477-R546 WeakPolarHBondContact ND2-CD 3.23Å; N477-D548 PolarHBondContact ND2-OD2 2.97Å
478	E	83.4	Confident	73.5	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.4	-176.2	-64.9	178.2	-161	0	0	111.1	S472 T475 P476 T537 R546 S550 V631	S472-E478 WeakPolarHBondContact CB-O 3.25Å; S472-E478 PolarHBondContact OG-O 3.16Å; T475-E478 HydrophobicContact CG2-CB 3.98Å; T475-E478 HydrophobicContact CG2-CG 3.98Å; T475-E478 PolarHBondContact O-N 3.44Å; P476-E478 VanDerWaalsContact C-N 3.34Å; E478-T537 CarbonylContact C-O 3.27Å; E478-T537 WeakPolarHBondContact CA-O 3.31Å; E478-R546 IonicContact OE1-CZ 3.67Å; E478-R546 IonicContact OE1-NH1 2.72Å; E478-R546 PolarHBondContact OE1-NH1 2.94Å; E478-R546 IonicContact OE1-NH2 2.72Å; E478-R546 PolarHBondContact OE1-NH2 2.96Å; E478-S550 VanDerWaalsContact OE2-CB 3.27Å; E478-S550 WeakPolarHBondContact OE2-CB 3.32Å; E478-S550 PolarHBondContact OE2-OG 3.13Å; E478-V631 PolarHBondContact OE1-N 3.45Å
479	R	82.1	Confident	75.5	Confident	105 Å²	105	25.1 Å²	25.1	40%	0.396	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.8	171.3	-167.8	176.1	84	176	7.2	109.9	M471 E481 R536 T537 I539	M471-R479 CarbonylContact O-C 3.54Å; M471-R479 VanDerWaalsContact O-CA 3.29Å; M471-R479 WeakPolarHBondContact O-CA 3.34Å; R479-E481 HydrophobicContact CG-CG 4.37Å; R479-E481 VanDerWaalsContact CZ-CD 3.48Å; R479-E481 IonicContact CZ-OE1 3.37Å; R479-E481 VanDerWaalsContact CZ-OE1 3.26Å; R479-E481 IonicContact CZ-OE2 3.26Å; R479-E481 VanDerWaalsContact CZ-OE2 3.28Å; R479-E481 VanDerWaalsContact NE-CD 3.26Å; R479-E481 IonicContact NE-OE1 3.28Å; R479-E481 PolarHBondContact NE-OE1 2.92Å; R479-E481 IonicContact NE-OE2 3.45Å; R479-E481 PolarHBondContact NE-OE2 3.05Å; R479-E481 IonicContact NH2-OE1 2.73Å; R479-E481 PolarHBondContact NH2-OE1 3.2Å; R479-E481 IonicContact NH2-OE2 3.03Å; R479-E481 PolarHBondContact NH2-OE2 3.22Å; R479-R536 CarbonylContact O-C 3.37Å; R479-R536 WeakPolarHBondContact O-CA 3.44Å; R479-T537 PolarHBondContact N-O 3.41Å; R479-T537 PolarHBondContact O-N 3.26Å; R479-I539 HydrophobicContact CB-CG1 4.49Å
480	F	81.4	Confident	77.1	Confident	5 Å²	5	27.4 Å²	27.4	2%	0.022	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.2	178.5	-172.6	-81.9	0	0	0	110.6	G464 D465 Y467 M471 P473 H532 V534 R536	G464-F480 PolarHBondContact N-O 3.21Å; D465-F480 WeakPolarHBondContact O-CE1 3.25Å; Y467-F480 HydrophobicContact CD2-CD1 4.07Å; Y467-F480 HydrophobicContact CD2-CD2 4.45Å; Y467-F480 AromaticContact CD2-CE1 3.5Å; Y467-F480 HydrophobicContact CD2-CE1 3.5Å; Y467-F480 VanDerWaalsContact CD2-CE1 3.5Å; Y467-F480 AromaticContact CD2-CE2 3.9Å; Y467-F480 HydrophobicContact CD2-CE2 3.9Å; Y467-F480 AromaticContact CD2-CZ 3.4Å; Y467-F480 HydrophobicContact CD2-CZ 3.4Å; Y467-F480 VanDerWaalsContact CD2-CZ 3.4Å; Y467-F480 HydrophobicContact CE2-CD2 4.42Å; Y467-F480 AromaticContact CE2-CE1 3.95Å; Y467-F480 HydrophobicContact CE2-CE1 3.95Å; Y467-F480 AromaticContact CE2-CE2 3.59Å; Y467-F480 HydrophobicContact CE2-CE2 3.59Å; Y467-F480 AromaticContact CE2-CZ 3.32Å; Y467-F480 HydrophobicContact CE2-CZ 3.32Å; M471-F480 PolarHBondContact O-N 2.91Å; P473-F480 HydrophobicContact CG-CB 3.8Å; P473-F480 HydrophobicContact CG-CD1 4.14Å; P473-F480 HydrophobicContact CG-CD2 3.89Å; P473-F480 HydrophobicContact CG-CG 3.67Å; F480-H532 AromaticContact CE1-CE1 3.71Å; F480-H532 AromaticContact CZ-CE1 3.62Å; F480-V534 HydrophobicContact CD2-CG2 4.08Å; F480-V534 HydrophobicContact CE1-CG2 4.16Å; F480-V534 HydrophobicContact CE2-CG2 3.26Å; F480-V534 HydrophobicContact CZ-CB 4.29Å; F480-V534 HydrophobicContact CZ-CG2 3.29Å; F480-R536 HydrophobicContact CD2-CG 4.05Å
481	E	82.4	Confident	78.8	Confident	15 Å²	15	26.3 Å²	26.3	7%	0.07	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.4	-179.5	-62.3	-179.8	105.1	0	0	108.3	T461 R479 V534 C535	T461-E481 HydrophobicContact CG2-CB 4.49Å; R479-E481 HydrophobicContact CG-CG 4.37Å; R479-E481 VanDerWaalsContact CZ-CD 3.48Å; R479-E481 IonicContact CZ-OE1 3.37Å; R479-E481 VanDerWaalsContact CZ-OE1 3.26Å; R479-E481 IonicContact CZ-OE2 3.26Å; R479-E481 VanDerWaalsContact CZ-OE2 3.28Å; R479-E481 VanDerWaalsContact NE-CD 3.26Å; R479-E481 IonicContact NE-OE1 3.28Å; R479-E481 PolarHBondContact NE-OE1 2.92Å; R479-E481 IonicContact NE-OE2 3.45Å; R479-E481 PolarHBondContact NE-OE2 3.05Å; R479-E481 IonicContact NH2-OE1 2.73Å; R479-E481 PolarHBondContact NH2-OE1 3.2Å; R479-E481 IonicContact NH2-OE2 3.03Å; R479-E481 PolarHBondContact NH2-OE2 3.22Å; E481-V534 CarbonylContact O-C 3.6Å; E481-V534 WeakPolarHBondContact O-CA 3.24Å; E481-C535 PolarHBondContact N-O 2.94Å; E481-C535 PolarHBondContact O-N 2.97Å
482	G	84.5	Confident	79.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	174.7	178.5	0	0	0	0	0	114.3	T461 D465 H532 L533	T461-G482 WeakPolarHBondContact CA-O 3.21Å; D465-G482 WeakPolarHBondContact CB-O 3.45Å; D465-G482 VanDerWaalsContact CG-O 3.24Å; D465-G482 CarbonylContact O-C 3.54Å; D465-G482 WeakPolarHBondContact O-CA 3.41Å; D465-G482 PolarHBondContact O-N 3.18Å; G482-H532 WeakPolarHBondContact CA-NE2 3.39Å; G482-L533 CarbonylContact C-O 3.53Å; G482-L533 WeakPolarHBondContact CA-O 3.33Å
483	A	84.8	Confident	80.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	146.5	178.4	0	0	0	0	0	111	V460 T461 T488 H532 L533	V460-A483 HydrophobicContact CB-CB 4.39Å; V460-A483 HydrophobicContact CG2-CB 3.77Å; T461-A483 HydrophobicContact CG2-CB 4.28Å; A483-T488 HydrophobicContact CB-CG2 4.04Å; A483-H532 PolarHBondContact N-NE2 2.9Å; A483-H532 PolarHBondContact O-CD2 3.28Å; A483-L533 PolarHBondContact N-O 3.06Å; A483-L533 PolarHBondContact O-N 2.6Å
484	T	86.5	Confident	82	Confident	12 Å²	12	30.9 Å²	30.9	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	160.6	173.8	70.7	0	0	0	0	111.2	L486 K487 T488 Y530 E653	T484-L486 PolarHBondContact O-N 3.29Å; T484-K487 PolarHBondContact O-N 3.23Å; T484-T488 WeakPolarHBondContact O-CG2 3.33Å; T484-T488 PolarHBondContact O-N 2.96Å; T484-T488 VanDerWaalsContact O-N 3.12Å; T484-Y530 HydrophobicContact CG2-CE2 4.25Å; T484-E653 WeakPolarHBondContact CB-OE2 3.44Å; T484-E653 WeakPolarHBondContact CG2-OE2 3.34Å; T484-E653 PolarHBondContact OG1-OE2 3.11Å
485	V	89	Confident	82.7	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-48.4	-178.8	179.3	0	0	0	0	111.1	K487 T488 L489 F505 Y506 T531 A657	V485-K487 VanDerWaalsContact C-N 3.3Å; V485-K487 PolarHBondContact O-N 3.09Å; V485-T488 PolarHBondContact O-N 2.92Å; V485-T488 PolarHBondContact O-OG1 3.07Å; V485-L489 HydrophobicContact CG1-CD1 4.14Å; V485-L489 PolarHBondContact O-N 3.48Å; V485-L489 VanDerWaalsContact O-N 3.08Å; V485-F505 HydrophobicContact CB-CD1 4.48Å; V485-F505 HydrophobicContact CB-CE1 4.18Å; V485-F505 HydrophobicContact CG2-CD1 4.04Å; V485-F505 HydrophobicContact CG2-CE1 3.56Å; V485-F505 HydrophobicContact CG2-CE2 4.3Å; V485-F505 HydrophobicContact CG2-CZ 3.67Å; V485-Y506 HydrophobicContact CG1-CD2 3.81Å; V485-Y506 HydrophobicContact CG1-CG 4.38Å; V485-T531 HydrophobicContact CG2-CG2 3.66Å; V485-A657 HydrophobicContact CG1-CB 4.03Å
486	L	82.9	Confident	83.3	Confident	15 Å²	15	38.9 Å²	38.9	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-44.6	179.3	178.8	62.4	0	0	0	111.9	T484 T488 L489 Q490 E653 Q656 A657 V660	T484-L486 PolarHBondContact O-N 3.29Å; L486-T488 PolarHBondContact O-N 2.91Å; L486-L489 PolarHBondContact O-N 3.27Å; L486-Q490 HydrophobicContact CD1-CG 4.48Å; L486-Q490 WeakPolarHBondContact O-CG 3.44Å; L486-Q490 PolarHBondContact O-N 2.88Å; L486-E653 HydrophobicContact CB-CB 4.26Å; L486-E653 HydrophobicContact CD2-CB 4.17Å; L486-E653 HydrophobicContact CD2-CG 4.17Å; L486-Q656 HydrophobicContact CD1-CB 3.97Å; L486-Q656 HydrophobicContact CD2-CB 3.92Å; L486-A657 HydrophobicContact CB-CB 4.37Å; L486-A657 HydrophobicContact CD1-CB 4.49Å; L486-V660 HydrophobicContact CD1-CG2 4.35Å
487	K	84.6	Confident	84.2	Confident	36 Å²	36	38.5 Å²	38.5	16%	0.157	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-42.2	179.5	-169.3	174.9	-166.4	168.2	0	112.4	D465 T484 V485 L489 Q490 Y491	D465-K487 VanDerWaalsContact CG-NZ 3.26Å; D465-K487 IonicContact OD1-NZ 3.44Å; D465-K487 PolarHBondContact OD1-NZ 3.39Å; D465-K487 WeakPolarHBondContact OD2-CE 3.32Å; D465-K487 IonicContact OD2-NZ 2.8Å; D465-K487 PolarHBondContact OD2-NZ 3.41Å; T484-K487 PolarHBondContact O-N 3.23Å; V485-K487 VanDerWaalsContact C-N 3.3Å; V485-K487 PolarHBondContact O-N 3.09Å; K487-L489 VanDerWaalsContact C-N 3.33Å; K487-L489 PolarHBondContact O-N 3.07Å; K487-Q490 PolarHBondContact O-N 3.37Å; K487-Y491 HydrophobicContact CG-CE1 4.36Å; K487-Y491 PolarHBondContact O-N 3.36Å
488	T	89.2	Confident	84.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-39.4	175.7	62.7	0	0	0	0	112.2	L456 V460 A483 T484 V485 L486 Y491 G492 A502 F505	L456-T488 HydrophobicContact CD2-CG2 4.26Å; L456-T488 HydrophobicContact CG-CG2 4.47Å; V460-T488 HydrophobicContact CB-CG2 4.34Å; V460-T488 HydrophobicContact CG1-CG2 4.33Å; V460-T488 HydrophobicContact CG2-CG2 3.77Å; A483-T488 HydrophobicContact CB-CG2 4.04Å; T484-T488 WeakPolarHBondContact O-CG2 3.33Å; T484-T488 PolarHBondContact O-N 2.96Å; T484-T488 VanDerWaalsContact O-N 3.12Å; V485-T488 PolarHBondContact O-N 2.92Å; V485-T488 PolarHBondContact O-OG1 3.07Å; L486-T488 PolarHBondContact O-N 2.91Å; T488-Y491 PolarHBondContact O-N 3.42Å; T488-G492 PolarHBondContact O-N 3.42Å; T488-A502 WeakPolarHBondContact O-CB 3.47Å; T488-F505 HydrophobicContact CG2-CD1 3.88Å; T488-F505 HydrophobicContact CG2-CE1 4.2Å
489	L	87.2	Confident	85.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-45.6	175.5	-68.6	169	0	0	0	111.2	V485 L486 K487 Y491 G492 Y493 M499 A502 A657 V660 I661	V485-L489 HydrophobicContact CG1-CD1 4.14Å; V485-L489 PolarHBondContact O-N 3.48Å; V485-L489 VanDerWaalsContact O-N 3.08Å; L486-L489 PolarHBondContact O-N 3.27Å; K487-L489 VanDerWaalsContact C-N 3.33Å; K487-L489 PolarHBondContact O-N 3.07Å; L489-Y491 VanDerWaalsContact C-N 3.34Å; L489-Y491 PolarHBondContact O-N 2.96Å; L489-G492 WeakPolarHBondContact O-CA 3.49Å; L489-G492 PolarHBondContact O-N 2.86Å; L489-Y493 WeakPolarHBondContact O-CD2 3.5Å; L489-Y493 PolarHBondContact O-N 2.85Å; L489-M499 HydrophobicContact CB-CE 4.39Å; L489-M499 HydrophobicContact CD2-CE 3.57Å; L489-A502 HydrophobicContact CD2-CB 4.03Å; L489-A657 HydrophobicContact CD1-CB 3.74Å; L489-V660 HydrophobicContact CB-CG1 4.17Å; L489-V660 HydrophobicContact CD1-CB 4.48Å; L489-V660 HydrophobicContact CD1-CG1 4.24Å; L489-I661 HydrophobicContact CD1-CD1 4.09Å; L489-I661 HydrophobicContact CD1-CG1 4.15Å; L489-I661 HydrophobicContact CD2-CD1 3.68Å
490	Q	81.4	Confident	85.7	Confident	94 Å²	94	41.5 Å²	41.5	44%	0.439	22%	0.219	S	C	.	.	H	α-helix	trans	-56.2	-47.1	174.6	-72.6	172.4	-13	0	0	111.6	L486 K487 G492 Y493 E494	L486-Q490 HydrophobicContact CD1-CG 4.48Å; L486-Q490 WeakPolarHBondContact O-CG 3.44Å; L486-Q490 PolarHBondContact O-N 2.88Å; K487-Q490 PolarHBondContact O-N 3.37Å; Q490-G492 PolarHBondContact O-N 3.23Å; Q490-Y493 WeakPolarHBondContact O-CB 3.32Å; Q490-Y493 PolarHBondContact O-N 3.5Å; Q490-Y493 VanDerWaalsContact O-N 3.14Å; Q490-E494 WeakPolarHBondContact O-CG 3.37Å; Q490-E494 PolarHBondContact O-N 3.36Å
491	Y	83.8	Confident	86.3	Confident	30 Å²	30	41.7 Å²	41.7	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-30.5	176.9	-79.8	18.5	0	0	0	112.6	V460 K487 T488 L489 E494 G495 R496 V497	V460-Y491 HydrophobicContact CB-CD2 4.04Å; V460-Y491 HydrophobicContact CB-CE2 4.41Å; V460-Y491 HydrophobicContact CG1-CD2 3.5Å; V460-Y491 VanDerWaalsContact CG1-CD2 3.5Å; V460-Y491 HydrophobicContact CG1-CE2 4.33Å; V460-Y491 HydrophobicContact CG1-CG 4.24Å; K487-Y491 HydrophobicContact CG-CE1 4.36Å; K487-Y491 PolarHBondContact O-N 3.36Å; T488-Y491 PolarHBondContact O-N 3.42Å; L489-Y491 VanDerWaalsContact C-N 3.34Å; L489-Y491 PolarHBondContact O-N 2.96Å; Y491-E494 PolarHBondContact O-N 3.23Å; Y491-G495 PolarHBondContact O-N 2.98Å; Y491-R496 HydrophobicContact CG-CB 4.45Å; Y491-R496 PolarHBondContact O-N 3.19Å; Y491-V497 PolarHBondContact O-N 3.27Å
492	G	86.1	Confident	86.8	Confident	9 Å²	9	41 Å²	41	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-45.5	170.5	0	0	0	0	0	112.6	T488 L489 Q490 E494 G495 V497	T488-G492 PolarHBondContact O-N 3.42Å; L489-G492 WeakPolarHBondContact O-CA 3.49Å; L489-G492 PolarHBondContact O-N 2.86Å; Q490-G492 PolarHBondContact O-N 3.23Å; G492-E494 VanDerWaalsContact C-N 3.33Å; G492-E494 PolarHBondContact O-N 3.37Å; G492-G495 PolarHBondContact O-N 3.49Å; G492-G495 VanDerWaalsContact O-N 3.08Å; G492-V497 WeakPolarHBondContact CA-O 3.32Å
493	Y	81.6	Confident	87.3	Confident	111 Å²	111	43.9 Å²	43.9	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-37.6	174.3	-87.3	-83.7	0	0	0	113.1	L489 Q490 G495 M499 V660 L664	L489-Y493 WeakPolarHBondContact O-CD2 3.5Å; L489-Y493 PolarHBondContact O-N 2.85Å; Q490-Y493 WeakPolarHBondContact O-CB 3.32Å; Q490-Y493 PolarHBondContact O-N 3.5Å; Q490-Y493 VanDerWaalsContact O-N 3.14Å; Y493-G495 PolarHBondContact O-N 2.94Å; Y493-M499 HydrophobicContact CD2-CE 3.77Å; Y493-M499 HydrophobicContact CD2-SD 4.32Å; Y493-M499 HydrophobicContact CE2-CE 3.51Å; Y493-V660 HydrophobicContact CD2-CG1 4.2Å; Y493-V660 HydrophobicContact CE2-CG1 3.32Å; Y493-L664 HydrophobicContact CE1-CD2 4.06Å; Y493-L664 HydrophobicContact CE2-CD1 4.27Å; Y493-L664 HydrophobicContact CE2-CD2 4.1Å; Y493-L664 HydrophobicContact CE2-CG 4.29Å; Y493-L664 VanDerWaalsContact CZ-CD2 3.5Å; Y493-L664 WeakPolarHBondContact OH-CD2 3Å; Y493-L664 WeakPolarHBondContact OH-CG 3.34Å
494	E	81.5	Confident	87.9	Confident	108 Å²	108	44.9 Å²	44.9	51%	0.505	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.2	175.7	-68	178.7	-154.5	0	0	113.1	Q490 Y491 G492 R496	Q490-E494 WeakPolarHBondContact O-CG 3.37Å; Q490-E494 PolarHBondContact O-N 3.36Å; Y491-E494 PolarHBondContact O-N 3.23Å; G492-E494 VanDerWaalsContact C-N 3.33Å; G492-E494 PolarHBondContact O-N 3.37Å; E494-R496 VanDerWaalsContact C-N 3.28Å; E494-R496 HydrophobicContact CB-CG 4.09Å; E494-R496 PolarHBondContact O-N 3.18Å; E494-R496 IonicContact OE2-CZ 3.02Å; E494-R496 IonicContact OE2-NE 2.89Å; E494-R496 PolarHBondContact OE2-NE 2.88Å; E494-R496 IonicContact OE2-NH2 2.71Å; E494-R496 PolarHBondContact OE2-NH2 3.46Å
495	G	81.3	Confident	88.4	Confident	64 Å²	64	44.3 Å²	44.3	66%	0.66	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	16.5	-178.3	0	0	0	0	0	114.2	Y491 G492 Y493	Y491-G495 PolarHBondContact O-N 2.98Å; G492-G495 PolarHBondContact O-N 3.49Å; G492-G495 VanDerWaalsContact O-N 3.08Å; Y493-G495 PolarHBondContact O-N 2.94Å
496	R	82.8	Confident	88.7	Confident	156 Å²	156	45.4 Å²	45.4	59%	0.589	23%	0.234	S	C	*	.	S	Bend	trans	-76	-29.7	176.3	-60.3	-171.9	-168.8	-165.9	7.5	112.3	Y491 E494	Y491-R496 HydrophobicContact CG-CB 4.45Å; Y491-R496 PolarHBondContact O-N 3.19Å; E494-R496 VanDerWaalsContact C-N 3.28Å; E494-R496 HydrophobicContact CB-CG 4.09Å; E494-R496 PolarHBondContact O-N 3.18Å; E494-R496 IonicContact OE2-CZ 3.02Å; E494-R496 IonicContact OE2-NE 2.89Å; E494-R496 PolarHBondContact OE2-NE 2.88Å; E494-R496 IonicContact OE2-NH2 2.71Å; E494-R496 PolarHBondContact OE2-NH2 3.46Å
497	V	90.1	Very high	89.4	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	25%	0.247	C	C	.	.	S	Bend	trans	-135.3	157.4	174.3	-64.3	0	0	0	0	110.1	L456 A459 V460 Y491 G492 M499	L456-V497 HydrophobicContact CD1-CB 3.9Å; L456-V497 HydrophobicContact CD1-CG1 4.06Å; L456-V497 HydrophobicContact CD1-CG2 3.8Å; A459-V497 HydrophobicContact CB-CG1 3.6Å; V460-V497 HydrophobicContact CG1-CB 4.34Å; V460-V497 HydrophobicContact CG1-CG1 3.48Å; V460-V497 VanDerWaalsContact CG1-CG1 3.48Å; V460-V497 HydrophobicContact CG1-CG2 3.98Å; Y491-V497 PolarHBondContact O-N 3.27Å; G492-V497 WeakPolarHBondContact CA-O 3.32Å; V497-M499 PolarHBondContact O-N 3.34Å
498	P	92.2	Very high	90	Very high	79 Å²	79	46 Å²	46	51%	0.513	24%	0.239	S	C	.	.			trans	-61.5	131.7	175.3	-19.7	31.8	0	0	0	111	S500 S501 A502	P498-S500 PolarHBondContact O-N 3.04Å; P498-S501 PolarHBondContact O-N 3.35Å; P498-A502 PolarHBondContact O-N 2.87Å
499	M	91.9	Very high	90.4	Very high	50 Å²	50	46 Å²	46	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-28.1	179.1	-164.6	59.8	-173.3	0	0	112.4	L489 Y493 V497 S501 A502 R503 L664	L489-M499 HydrophobicContact CB-CE 4.39Å; L489-M499 HydrophobicContact CD2-CE 3.57Å; Y493-M499 HydrophobicContact CD2-CE 3.77Å; Y493-M499 HydrophobicContact CD2-SD 4.32Å; Y493-M499 HydrophobicContact CE2-CE 3.51Å; V497-M499 PolarHBondContact O-N 3.34Å; M499-S501 VanDerWaalsContact C-N 3.34Å; M499-A502 PolarHBondContact O-N 3.11Å; M499-A502 HydrophobicContact SD-CB 4.37Å; M499-R503 VanDerWaalsContact O-CB 3.32Å; M499-R503 WeakPolarHBondContact O-CB 3.43Å; M499-R503 PolarHBondContact O-N 3.19Å; M499-L664 HydrophobicContact CE-CD1 3.19Å; M499-L664 HydrophobicContact CE-CD2 4.18Å; M499-L664 HydrophobicContact CE-CG 4.23Å
500	S	93.8	Very high	90.9	Very high	75 Å²	75	47.5 Å²	47.5	52%	0.524	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-40.9	172.3	55.5	0	0	0	0	112.2	P498 R503 L504	P498-S500 PolarHBondContact O-N 3.04Å; S500-R503 PolarHBondContact O-N 3.43Å; S500-L504 WeakPolarHBondContact O-CB 3.35Å; S500-L504 PolarHBondContact O-N 3.15Å
501	S	94.6	Very high	91.6	Very high	8 Å²	8	45.5 Å²	45.5	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-70.9	-41.3	179.9	-44.9	0	0	0	0	111.2	E452 L456 P498 M499 R503 L504 F505	E452-S501 WeakPolarHBondContact CG-OG 3.29Å; E452-S501 VanDerWaalsContact OE1-CA 3.3Å; E452-S501 WeakPolarHBondContact OE1-CA 3.42Å; E452-S501 WeakPolarHBondContact OE1-CB 3.13Å; E452-S501 PolarHBondContact OE1-N 2.84Å; E452-S501 PolarHBondContact OE1-OG 2.99Å; L456-S501 WeakPolarHBondContact CD2-O 3.2Å; P498-S501 PolarHBondContact O-N 3.35Å; M499-S501 VanDerWaalsContact C-N 3.34Å; S501-R503 VanDerWaalsContact C-N 3.34Å; S501-R503 PolarHBondContact O-N 3.11Å; S501-L504 WeakPolarHBondContact O-CB 3.45Å; S501-L504 PolarHBondContact O-N 3.41Å; S501-F505 PolarHBondContact O-N 2.01Å; S501-F505 VanDerWaalsContact O-N 3.08Å
502	A	93.3	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-40.6	173.5	0	0	0	0	0	112	T488 L489 P498 M499 F505 Y506	T488-A502 WeakPolarHBondContact O-CB 3.47Å; L489-A502 HydrophobicContact CD2-CB 4.03Å; P498-A502 PolarHBondContact O-N 2.87Å; M499-A502 PolarHBondContact O-N 3.11Å; M499-A502 HydrophobicContact SD-CB 4.37Å; A502-F505 PolarHBondContact O-N 2.67Å; A502-Y506 PolarHBondContact O-N 3.28Å
503	R	95.3	Very high	92.8	Very high	62 Å²	62	45.1 Å²	45.1	23%	0.234	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-42	172.9	-178.1	66.5	-179.6	-118.7	12.7	111.7	M499 S500 S501 F505 Y506 D507 I661 D665	M499-R503 VanDerWaalsContact O-CB 3.32Å; M499-R503 WeakPolarHBondContact O-CB 3.43Å; M499-R503 PolarHBondContact O-N 3.19Å; S500-R503 PolarHBondContact O-N 3.43Å; S501-R503 VanDerWaalsContact C-N 3.34Å; S501-R503 PolarHBondContact O-N 3.11Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-F505 PolarHBondContact O-N 2.87Å; R503-Y506 WeakPolarHBondContact O-CB 3.47Å; R503-Y506 PolarHBondContact O-N 2.91Å; R503-D507 IonicContact NE-OD1 3.09Å; R503-D507 PolarHBondContact NE-OD1 3.41Å; R503-D507 IonicContact NE-OD2 3.06Å; R503-D507 PolarHBondContact NE-OD2 2.99Å; R503-D507 PolarHBondContact O-N 3.14Å; R503-I661 VanDerWaalsContact CD-CD1 3.47Å; R503-D665 IonicContact CZ-OD1 3.83Å; R503-D665 IonicContact CZ-OD2 2.71Å; R503-D665 IonicContact NH1-OD1 3.75Å; R503-D665 PolarHBondContact NH1-OD1 3.07Å; R503-D665 IonicContact NH1-OD2 3.35Å; R503-D665 IonicContact NH2-OD1 2.98Å; R503-D665 PolarHBondContact NH2-OD1 3.01Å; R503-D665 VanDerWaalsContact NH2-OD1 3.09Å; R503-D665 IonicContact NH2-OD2 2.69Å; R503-D665 PolarHBondContact NH2-OD2 3.42Å
504	L	97	Very high	93.5	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-40	176.8	177.1	64.1	0	0	0	111.6	E449 E452 L453 S500 S501 D507 T508	E449-L504 HydrophobicContact CB-CD1 4.35Å; E449-L504 HydrophobicContact CB-CD2 4.16Å; E449-L504 HydrophobicContact CG-CD1 3.87Å; E449-L504 HydrophobicContact CG-CD2 4.28Å; E452-L504 HydrophobicContact CB-CD2 3.9Å; E452-L504 HydrophobicContact CG-CD2 3.95Å; L453-L504 HydrophobicContact CD2-CB 4.43Å; L453-L504 HydrophobicContact CD2-CD2 4.16Å; L453-L504 HydrophobicContact CD2-CG 4.03Å; L453-L504 HydrophobicContact CG-CD2 4.03Å; L453-L504 HydrophobicContact CG-CG 4.23Å; S500-L504 WeakPolarHBondContact O-CB 3.35Å; S500-L504 PolarHBondContact O-N 3.15Å; S501-L504 WeakPolarHBondContact O-CB 3.45Å; S501-L504 PolarHBondContact O-N 3.41Å; L504-D507 PolarHBondContact O-N 2.52Å; L504-T508 WeakPolarHBondContact O-CB 3.41Å; L504-T508 PolarHBondContact O-N 3.19Å; L504-T508 PolarHBondContact O-OG1 2.88Å
505	F	96.8	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-45.7	176.3	179.5	-147.5	0	0	0	111.8	L453 L456 V485 T488 S501 A502 R503 T508 S509 T531 L533 V639	L453-F505 HydrophobicContact CD2-CB 3.67Å; L453-F505 HydrophobicContact CD2-CG 4.43Å; L456-F505 HydrophobicContact CD2-CB 3.85Å; L456-F505 HydrophobicContact CD2-CG 4.46Å; V485-F505 HydrophobicContact CB-CD1 4.48Å; V485-F505 HydrophobicContact CB-CE1 4.18Å; V485-F505 HydrophobicContact CG2-CD1 4.04Å; V485-F505 HydrophobicContact CG2-CE1 3.56Å; V485-F505 HydrophobicContact CG2-CE2 4.3Å; V485-F505 HydrophobicContact CG2-CZ 3.67Å; T488-F505 HydrophobicContact CG2-CD1 3.88Å; T488-F505 HydrophobicContact CG2-CE1 4.2Å; S501-F505 PolarHBondContact O-N 2.01Å; S501-F505 VanDerWaalsContact O-N 3.08Å; A502-F505 PolarHBondContact O-N 2.67Å; R503-F505 VanDerWaalsContact C-N 3.28Å; R503-F505 PolarHBondContact O-N 2.87Å; F505-T508 PolarHBondContact O-N 3.46Å; F505-S509 PolarHBondContact O-N 3.41Å; F505-S509 VanDerWaalsContact O-N 3.09Å; F505-T531 HydrophobicContact CE2-CG2 4.32Å; F505-T531 HydrophobicContact CZ-CG2 4.15Å; F505-L533 HydrophobicContact CE1-CB 3.84Å; F505-L533 HydrophobicContact CE2-CB 3.94Å; F505-L533 HydrophobicContact CZ-CB 3.51Å; F505-V639 HydrophobicContact CD2-CG2 4.15Å; F505-V639 HydrophobicContact CE2-CB 4.38Å; F505-V639 HydrophobicContact CE2-CG1 3.67Å; F505-V639 HydrophobicContact CE2-CG2 3.79Å
506	Y	96.3	Very high	95	Very high	28 Å²	28	37.8 Å²	37.8	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-51.8	173.7	176.3	-83.5	0	0	0	111.8	V485 A502 R503 T508 S509 E510 A657 D658 I661	V485-Y506 HydrophobicContact CG1-CD2 3.81Å; V485-Y506 HydrophobicContact CG1-CG 4.38Å; A502-Y506 PolarHBondContact O-N 3.28Å; R503-Y506 WeakPolarHBondContact O-CB 3.47Å; R503-Y506 PolarHBondContact O-N 2.91Å; Y506-T508 VanDerWaalsContact C-N 3.31Å; Y506-T508 PolarHBondContact O-N 3.04Å; Y506-S509 PolarHBondContact O-N 2.64Å; Y506-S509 PolarHBondContact O-OG 3.24Å; Y506-E510 HydrophobicContact CE1-CG 4.26Å; Y506-E510 PolarHBondContact O-N 3.2Å; Y506-A657 HydrophobicContact CD2-CB 4.45Å; Y506-D658 VanDerWaalsContact CE2-OD1 3.25Å; Y506-D658 WeakPolarHBondContact CE2-OD1 3.42Å; Y506-D658 PolarHBondContact OH-OD1 3.17Å; Y506-D658 VanDerWaalsContact OH-OD1 3.04Å; Y506-I661 HydrophobicContact CD1-CD1 4.36Å; Y506-I661 HydrophobicContact CD1-CG1 3.93Å; Y506-I661 HydrophobicContact CD2-CG1 3.73Å; Y506-I661 HydrophobicContact CE1-CB 4.42Å; Y506-I661 HydrophobicContact CE1-CG1 3.97Å; Y506-I661 HydrophobicContact CE1-CG2 4.08Å; Y506-I661 HydrophobicContact CE2-CB 4.47Å; Y506-I661 HydrophobicContact CE2-CG1 3.77Å; Y506-I661 HydrophobicContact CG-CD1 4.23Å; Y506-I661 HydrophobicContact CG-CG1 3.83Å
507	D	97.1	Very high	95.6	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.342	16%	0.159	S	C	.	.	H	α-helix	trans	-65.6	-35.3	-176.7	-69.9	-23.1	0	0	0	111.8	R503 L504 E510 R511	R503-D507 IonicContact NE-OD1 3.09Å; R503-D507 PolarHBondContact NE-OD1 3.41Å; R503-D507 IonicContact NE-OD2 3.06Å; R503-D507 PolarHBondContact NE-OD2 2.99Å; R503-D507 PolarHBondContact O-N 3.14Å; L504-D507 PolarHBondContact O-N 2.52Å; D507-E510 PolarHBondContact O-N 3.29Å; D507-R511 WeakPolarHBondContact O-CB 3.37Å; D507-R511 PolarHBondContact O-N 2.67Å
508	T	97.8	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-42.1	174.9	-63.2	0	0	0	0	111.4	I445 L453 L504 F505 Y506 E510 R511 V512 L583	I445-T508 HydrophobicContact CG2-CG2 3.72Å; L453-T508 HydrophobicContact CD1-CG2 4.13Å; L504-T508 WeakPolarHBondContact O-CB 3.41Å; L504-T508 PolarHBondContact O-N 3.19Å; L504-T508 PolarHBondContact O-OG1 2.88Å; F505-T508 PolarHBondContact O-N 3.46Å; Y506-T508 VanDerWaalsContact C-N 3.31Å; Y506-T508 PolarHBondContact O-N 3.04Å; T508-E510 VanDerWaalsContact C-N 3.35Å; T508-E510 PolarHBondContact O-N 3.16Å; T508-R511 WeakPolarHBondContact O-CB 3.39Å; T508-R511 PolarHBondContact O-N 3.05Å; T508-V512 WeakPolarHBondContact O-CG2 3.4Å; T508-V512 PolarHBondContact O-N 3.05Å; T508-L583 HydrophobicContact CG2-CD2 3.35Å
509	S	96.9	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-39.3	176.4	69.1	0	0	0	0	112.6	F505 Y506 V512 R513 R654	F505-S509 PolarHBondContact O-N 3.41Å; F505-S509 VanDerWaalsContact O-N 3.09Å; Y506-S509 PolarHBondContact O-N 2.64Å; Y506-S509 PolarHBondContact O-OG 3.24Å; S509-V512 PolarHBondContact O-N 3Å; S509-R513 PolarHBondContact O-N 3.45Å; S509-R654 PolarHBondContact OG-NH1 3.39Å; S509-R654 PolarHBondContact OG-NH2 2.99Å
510	E	96.5	Very high	96.3	Very high	30 Å²	30	27.3 Å²	27.3	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-42.1	172.1	-84.9	-55.4	128.8	0	0	112.4	Y506 D507 T508 V512 R513 R514 F528 R654	Y506-E510 HydrophobicContact CE1-CG 4.26Å; Y506-E510 PolarHBondContact O-N 3.2Å; D507-E510 PolarHBondContact O-N 3.29Å; T508-E510 VanDerWaalsContact C-N 3.35Å; T508-E510 PolarHBondContact O-N 3.16Å; E510-V512 VanDerWaalsContact C-N 3.29Å; E510-V512 PolarHBondContact O-N 3.42Å; E510-R513 PolarHBondContact O-N 3.18Å; E510-R513 IonicContact OE1-NE 3.93Å; E510-R513 IonicContact OE2-CZ 2.81Å; E510-R513 IonicContact OE2-NE 3.86Å; E510-R513 PolarHBondContact OE2-NE 3.06Å; E510-R513 IonicContact OE2-NH2 2.67Å; E510-R513 PolarHBondContact OE2-NH2 2.91Å; E510-R514 WeakPolarHBondContact O-CG 3.16Å; E510-R514 PolarHBondContact O-N 3.01Å; E510-F528 WeakPolarHBondContact OE1-CE2 3.47Å; E510-R654 IonicContact OE1-CZ 3.46Å; E510-R654 IonicContact OE1-NH2 2.87Å; E510-R654 PolarHBondContact OE1-NH2 2.83Å
511	R	97.5	Very high	96.2	Very high	53 Å²	53	27.8 Å²	27.8	20%	0.2	12%	0.124	C	C	.	.	H	α-helix	trans	-56.8	-47	177.8	-169.7	-176.1	-65.7	172.1	6.4	110.2	Y421 V444 E449 D507 T508 R514 I515	Y421-R511 HydrophobicContact CD2-CG 4.32Å; Y421-R511 HydrophobicContact CE1-CG 4.17Å; Y421-R511 HydrophobicContact CE2-CG 3.75Å; V444-R511 WeakPolarHBondContact O-CD 3.39Å; V444-R511 PolarHBondContact O-NH1 3.43Å; E449-R511 IonicContact OE1-CZ 2.86Å; E449-R511 IonicContact OE1-NH1 2.92Å; E449-R511 PolarHBondContact OE1-NH1 3.21Å; E449-R511 IonicContact OE1-NH2 3.7Å; E449-R511 PolarHBondContact OE1-NH2 3.27Å; E449-R511 IonicContact OE2-CZ 3.82Å; E449-R511 IonicContact OE2-NH1 3.91Å; E449-R511 PolarHBondContact OE2-NH1 3.38Å; D507-R511 WeakPolarHBondContact O-CB 3.37Å; D507-R511 PolarHBondContact O-N 2.67Å; T508-R511 WeakPolarHBondContact O-CB 3.39Å; T508-R511 PolarHBondContact O-N 3.05Å; R511-R514 PolarHBondContact O-N 3.26Å; R511-I515 HydrophobicContact CG-CD1 4.19Å; R511-I515 VanDerWaalsContact O-CG1 3.29Å; R511-I515 WeakPolarHBondContact O-CG1 3.46Å; R511-I515 PolarHBondContact O-N 3.03Å; R511-I515 VanDerWaalsContact O-N 3.1Å
512	V	98.1	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-46.9	176.9	175.2	0	0	0	0	111.6	V444 T508 S509 E510 R514 I515 V516 A581 L583 L615 L641 F643	V444-V512 HydrophobicContact CG1-CG2 4.19Å; T508-V512 WeakPolarHBondContact O-CG2 3.4Å; T508-V512 PolarHBondContact O-N 3.05Å; S509-V512 PolarHBondContact O-N 3Å; E510-V512 VanDerWaalsContact C-N 3.29Å; E510-V512 PolarHBondContact O-N 3.42Å; V512-R514 VanDerWaalsContact C-N 3.31Å; V512-R514 PolarHBondContact O-N 3.01Å; V512-I515 PolarHBondContact O-N 2.83Å; V512-I515 VanDerWaalsContact O-N 3.11Å; V512-V516 HydrophobicContact CG1-CG2 4.16Å; V512-V516 WeakPolarHBondContact O-CG2 3.4Å; V512-V516 PolarHBondContact O-N 3.02Å; V512-A581 HydrophobicContact CG1-CB 3.77Å; V512-L583 HydrophobicContact CG2-CB 4.31Å; V512-L583 HydrophobicContact CG2-CD2 3.94Å; V512-L615 HydrophobicContact CG1-CD1 3.65Å; V512-L615 HydrophobicContact CG1-CD2 4.03Å; V512-L615 HydrophobicContact CG2-CD1 4.08Å; V512-L615 HydrophobicContact CG2-CD2 4.49Å; V512-L641 HydrophobicContact CB-CD1 4.26Å; V512-L641 HydrophobicContact CB-CD2 4.46Å; V512-L641 HydrophobicContact CG1-CD1 3.85Å; V512-L641 HydrophobicContact CG2-CD1 4.43Å; V512-F643 HydrophobicContact CG1-CZ 4.45Å
513	R	96.8	Very high	95.3	Very high	30 Å²	30	35.7 Å²	35.7	11%	0.113	17%	0.166	C	C	.	.	H	α-helix	trans	-54	-46.9	178	-170.8	-171.9	75	62.2	11.7	111.9	S509 E510 V516 E517 L526 F528 F643	S509-R513 PolarHBondContact O-N 3.45Å; E510-R513 PolarHBondContact O-N 3.18Å; E510-R513 IonicContact OE1-NE 3.93Å; E510-R513 IonicContact OE2-CZ 2.81Å; E510-R513 IonicContact OE2-NE 3.86Å; E510-R513 PolarHBondContact OE2-NE 3.06Å; E510-R513 IonicContact OE2-NH2 2.67Å; E510-R513 PolarHBondContact OE2-NH2 2.91Å; R513-V516 PolarHBondContact O-N 3.47Å; R513-E517 IonicContact CZ-OE2 3.02Å; R513-E517 IonicContact NH1-OE2 3.38Å; R513-E517 PolarHBondContact NH1-OE2 3.33Å; R513-E517 VanDerWaalsContact O-CB 3.31Å; R513-E517 WeakPolarHBondContact O-CB 3.43Å; R513-E517 PolarHBondContact O-N 3.45Å; R513-L526 WeakPolarHBondContact CD-O 3.3Å; R513-L526 HydrophobicContact CG-CB 4.27Å; R513-L526 PolarHBondContact NH1-O 2.77Å; R513-F528 HydrophobicContact CB-CE1 4.3Å; R513-F528 HydrophobicContact CB-CZ 3.89Å; R513-F528 VanDerWaalsContact CD-CE2 3.48Å; R513-F528 HydrophobicContact CG-CE2 4.49Å; R513-F528 HydrophobicContact CG-CZ 4.23Å; R513-F643 HydrophobicContact CB-CE1 3.7Å; R513-F643 HydrophobicContact CB-CZ 4.03Å; R513-F643 HydrophobicContact CG-CD1 4.09Å; R513-F643 HydrophobicContact CG-CE1 3.6Å; R513-F643 HydrophobicContact CG-CZ 4.31Å
514	R	96.6	Very high	94.5	Very high	123 Å²	123	35.3 Å²	35.3	46%	0.464	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-38.7	178	-68.3	177.1	-173	-171.1	2.4	112.8	L420 E510 R511 V512 S518	L420-R514 HydrophobicContact CD1-CB 3.89Å; L420-R514 WeakPolarHBondContact CD1-O 3.27Å; E510-R514 WeakPolarHBondContact O-CG 3.16Å; E510-R514 PolarHBondContact O-N 3.01Å; R511-R514 PolarHBondContact O-N 3.26Å; V512-R514 VanDerWaalsContact C-N 3.31Å; V512-R514 PolarHBondContact O-N 3.01Å; R514-S518 VanDerWaalsContact O-CB 3.25Å; R514-S518 WeakPolarHBondContact O-CB 3.4Å; R514-S518 PolarHBondContact O-N 3.22Å
515	I	97.4	Very high	93.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-47.7	176.5	-72	166.9	0	0	0	110.7	Y421 V424 L441 V444 R511 V512 S518 Y519 L615	Y421-I515 HydrophobicContact CD2-CD1 3.92Å; Y421-I515 HydrophobicContact CD2-CG1 3.76Å; Y421-I515 HydrophobicContact CE2-CD1 4.12Å; Y421-I515 HydrophobicContact CE2-CG1 3.78Å; V424-I515 HydrophobicContact CG2-CD1 4.05Å; L441-I515 HydrophobicContact CD1-CG2 3.3Å; V444-I515 HydrophobicContact CG1-CD1 3.74Å; V444-I515 HydrophobicContact CG2-CD1 4.16Å; R511-I515 HydrophobicContact CG-CD1 4.19Å; R511-I515 VanDerWaalsContact O-CG1 3.29Å; R511-I515 WeakPolarHBondContact O-CG1 3.46Å; R511-I515 PolarHBondContact O-N 3.03Å; R511-I515 VanDerWaalsContact O-N 3.1Å; V512-I515 PolarHBondContact O-N 2.83Å; V512-I515 VanDerWaalsContact O-N 3.11Å; I515-S518 PolarHBondContact O-N 2.9Å; I515-Y519 WeakPolarHBondContact O-CB 3.33Å; I515-Y519 PolarHBondContact O-N 3.31Å; I515-L615 HydrophobicContact CG2-CD2 3.98Å
516	V	96.9	Very high	93.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-48	178.9	174.2	0	0	0	0	110.6	V512 R513 S518 Y519 F520 L526 Y579 A581 F643	V512-V516 HydrophobicContact CG1-CG2 4.16Å; V512-V516 WeakPolarHBondContact O-CG2 3.4Å; V512-V516 PolarHBondContact O-N 3.02Å; R513-V516 PolarHBondContact O-N 3.47Å; V516-S518 VanDerWaalsContact C-N 3.3Å; V516-S518 PolarHBondContact O-N 3.31Å; V516-Y519 PolarHBondContact O-N 2.78Å; V516-F520 HydrophobicContact CG1-CD2 3.76Å; V516-F520 HydrophobicContact CG1-CE2 4.05Å; V516-F520 WeakPolarHBondContact O-CD2 3.47Å; V516-F520 PolarHBondContact O-N 2.94Å; V516-F520 VanDerWaalsContact O-N 3.1Å; V516-L526 HydrophobicContact CB-CD2 4.16Å; V516-L526 HydrophobicContact CG1-CD2 3.66Å; V516-Y579 HydrophobicContact CG1-CD1 4.32Å; V516-Y579 HydrophobicContact CG1-CG 4.32Å; V516-A581 HydrophobicContact CG2-CB 4.04Å; V516-F643 HydrophobicContact CG2-CE2 4.32Å
517	E	94.7	Very high	92.8	Very high	44 Å²	44	38.7 Å²	38.7	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-42.7	177.6	-170	177.1	154.8	0	0	111.9	R513 M521 L522 L526	R513-E517 IonicContact CZ-OE2 3.02Å; R513-E517 IonicContact NH1-OE2 3.38Å; R513-E517 PolarHBondContact NH1-OE2 3.33Å; R513-E517 VanDerWaalsContact O-CB 3.31Å; R513-E517 WeakPolarHBondContact O-CB 3.43Å; R513-E517 PolarHBondContact O-N 3.45Å; E517-M521 PolarHBondContact O-N 2.71Å; E517-L522 HydrophobicContact CG-CB 4.18Å; E517-L522 PolarHBondContact O-N 3.23Å; E517-L526 HydrophobicContact CB-CB 4.33Å; E517-L526 HydrophobicContact CG-CB 4.42Å; E517-L526 PolarHBondContact OE2-N 3.42Å
518	S	95.8	Very high	92.4	Very high	21 Å²	21	36.1 Å²	36.1	15%	0.147	18%	0.18	C	C	.	.	H	α-helix	trans	-73.7	-44.5	-179.8	-166.9	0	0	0	0	113.1	G417 P418 L420 R514 I515 V516 M521	G417-S518 WeakPolarHBondContact CA-O 3.38Å; P418-S518 PolarHBondContact O-OG 3.25Å; L420-S518 WeakPolarHBondContact CD2-OG 3.2Å; R514-S518 VanDerWaalsContact O-CB 3.25Å; R514-S518 WeakPolarHBondContact O-CB 3.4Å; R514-S518 PolarHBondContact O-N 3.22Å; I515-S518 PolarHBondContact O-N 2.9Å; V516-S518 VanDerWaalsContact C-N 3.3Å; V516-S518 PolarHBondContact O-N 3.31Å; S518-M521 PolarHBondContact O-N 3.06Å
519	Y	96.8	Very high	91.7	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-42.8	-176.5	-176.7	-92.8	0	0	0	112.3	E415 G416 G417 L419 L426 V439 I515 V516 M521	E415-Y519 CarbonylContact C-O 3.39Å; E415-Y519 WeakPolarHBondContact CA-O 3.19Å; E415-Y519 HydrophobicContact CB-CE1 4.18Å; G416-Y519 PolarHBondContact N-O 2.81Å; G417-Y519 PolarHBondContact N-O 3.47Å; L419-Y519 HydrophobicContact CD2-CD2 4.38Å; L426-Y519 HydrophobicContact CD1-CE2 4.01Å; V439-Y519 HydrophobicContact CB-CD1 3.78Å; V439-Y519 HydrophobicContact CB-CE1 3.42Å; V439-Y519 VanDerWaalsContact CB-CE1 3.42Å; V439-Y519 HydrophobicContact CB-CE2 4.4Å; V439-Y519 HydrophobicContact CB-CG 4.42Å; V439-Y519 HydrophobicContact CG1-CD1 3.91Å; V439-Y519 HydrophobicContact CG1-CE1 4.09Å; V439-Y519 HydrophobicContact CG1-CG 4.39Å; V439-Y519 HydrophobicContact CG2-CD1 3.96Å; V439-Y519 HydrophobicContact CG2-CD2 4.03Å; V439-Y519 HydrophobicContact CG2-CE1 3.54Å; V439-Y519 HydrophobicContact CG2-CE2 3.58Å; V439-Y519 HydrophobicContact CG2-CG 4.19Å; I515-Y519 WeakPolarHBondContact O-CB 3.33Å; I515-Y519 PolarHBondContact O-N 3.31Å; V516-Y519 PolarHBondContact O-N 2.78Å; Y519-M521 PolarHBondContact O-N 2.98Å
520	F	95.8	Very high	91.2	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	7.1	176	-62.6	-63	0	0	0	113.2	K414 E415 Q437 V439 V516 L522 Y579	K414-F520 CarbonylContact O-C 3.36Å; E415-F520 HydrophobicContact CB-CD1 4.25Å; Q437-F520 VanDerWaalsContact C-CE1 3.48Å; Q437-F520 HydrophobicContact CB-CE1 4.17Å; V439-F520 HydrophobicContact CB-CZ 4.42Å; V439-F520 HydrophobicContact CG1-CE2 4.32Å; V439-F520 HydrophobicContact CG1-CZ 4.02Å; V516-F520 HydrophobicContact CG1-CD2 3.76Å; V516-F520 HydrophobicContact CG1-CE2 4.05Å; V516-F520 WeakPolarHBondContact O-CD2 3.47Å; V516-F520 PolarHBondContact O-N 2.94Å; V516-F520 VanDerWaalsContact O-N 3.1Å; F520-L522 VanDerWaalsContact C-N 3.26Å; F520-L522 HydrophobicContact CB-CD2 3.78Å; F520-L522 HydrophobicContact CB-CG 4.11Å; F520-L522 PolarHBondContact O-N 2.93Å; F520-Y579 HydrophobicContact CB-CE1 3.89Å; F520-Y579 HydrophobicContact CD1-CE1 4.17Å; F520-Y579 AromaticContact CD2-CD1 3.67Å; F520-Y579 HydrophobicContact CD2-CD1 3.67Å; F520-Y579 AromaticContact CD2-CE1 3.61Å; F520-Y579 HydrophobicContact CD2-CE1 3.61Å; F520-Y579 AromaticContact CE2-CD1 3.96Å; F520-Y579 HydrophobicContact CE2-CD1 3.96Å; F520-Y579 HydrophobicContact CE2-CE1 4.15Å; F520-Y579 HydrophobicContact CG-CD1 4.18Å; F520-Y579 AromaticContact CG-CE1 3.62Å; F520-Y579 HydrophobicContact CG-CE1 3.62Å
521	M	93.3	Very high	90.8	Very high	84 Å²	84	37.9 Å²	37.9	41%	0.414	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44.8	173.7	-55.1	-178.6	66	0	0	112.8	K414 E517 S518 Y519	K414-M521 HydrophobicContact CB-CB 3.98Å; K414-M521 HydrophobicContact CB-CG 4.3Å; K414-M521 HydrophobicContact CB-SD 3.78Å; K414-M521 HydrophobicContact CD-CE 4.23Å; K414-M521 HydrophobicContact CD-SD 4.33Å; E517-M521 PolarHBondContact O-N 2.71Å; S518-M521 PolarHBondContact O-N 3.06Å; Y519-M521 PolarHBondContact O-N 2.98Å
522	L	89.6	Confident	90.5	Very high	31 Å²	31	35.6 Å²	35.6	16%	0.162	18%	0.179	C	C	.	.			trans	-69.6	136.5	-175	-52.7	-178	0	0	0	110.1	E517 F520 S524 L526 Y579 L645	E517-L522 HydrophobicContact CG-CB 4.18Å; E517-L522 PolarHBondContact O-N 3.23Å; F520-L522 VanDerWaalsContact C-N 3.26Å; F520-L522 HydrophobicContact CB-CD2 3.78Å; F520-L522 HydrophobicContact CB-CG 4.11Å; F520-L522 PolarHBondContact O-N 2.93Å; L522-S524 VanDerWaalsContact C-N 3.27Å; L522-L526 HydrophobicContact CD1-CB 4.34Å; L522-L526 HydrophobicContact CD1-CD1 3.91Å; L522-L526 HydrophobicContact CD1-CD2 4.22Å; L522-L526 HydrophobicContact CD1-CG 4.38Å; L522-Y579 HydrophobicContact CD1-CD2 3.99Å; L522-Y579 HydrophobicContact CD1-CE2 3.85Å; L522-Y579 HydrophobicContact CD2-CE1 4.43Å; L522-Y579 HydrophobicContact CD2-CE2 3.58Å; L522-Y579 WeakPolarHBondContact CD2-OH 3.45Å; L522-Y579 HydrophobicContact CG-CE2 4.4Å; L522-L645 HydrophobicContact CD1-CD2 4.18Å
523	N	78.3	Confident	90.2	Very high	143 Å²	143	35.6 Å²	35.6	77%	0.765	18%	0.179	S	C	*	.	S	Bend	trans	-83.2	-7.1	-179.8	-64	-44.2	0	0	0	113
524	S	78.6	Confident	90	Very high	54 Å²	54	34.9 Å²	34.9	38%	0.378	18%	0.178	S	C	.	.	S	Bend	trans	-131.2	151.6	-177.7	53.6	0	0	0	0	109.9	L522 L526 L645	L522-S524 VanDerWaalsContact C-N 3.27Å; S524-L526 PolarHBondContact O-N 3.45Å; S524-L645 WeakPolarHBondContact OG-CD2 3.38Å
525	T	81.8	Confident	89.8	Confident	75 Å²	75	29 Å²	29	46%	0.46	16%	0.156	S	C	.	.			trans	-62.1	130.1	176.3	-57.1	0	0	0	0	110.1
526	L	88.9	Confident	89.5	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.157	C	C	.	.			trans	-81.4	128.9	175.8	-165.7	65.5	0	0	0	108.8	R513 V516 E517 L522 S524 Y579 F643 L645	R513-L526 WeakPolarHBondContact CD-O 3.3Å; R513-L526 HydrophobicContact CG-CB 4.27Å; R513-L526 PolarHBondContact NH1-O 2.77Å; V516-L526 HydrophobicContact CB-CD2 4.16Å; V516-L526 HydrophobicContact CG1-CD2 3.66Å; E517-L526 HydrophobicContact CB-CB 4.33Å; E517-L526 HydrophobicContact CG-CB 4.42Å; E517-L526 PolarHBondContact OE2-N 3.42Å; L522-L526 HydrophobicContact CD1-CB 4.34Å; L522-L526 HydrophobicContact CD1-CD1 3.91Å; L522-L526 HydrophobicContact CD1-CD2 4.22Å; L522-L526 HydrophobicContact CD1-CG 4.38Å; S524-L526 PolarHBondContact O-N 3.45Å; L526-Y579 HydrophobicContact CD1-CD2 4.02Å; L526-F643 HydrophobicContact CD1-CB 3.52Å; L526-F643 HydrophobicContact CD1-CG 4.28Å; L526-F643 HydrophobicContact CD2-CB 3.6Å; L526-F643 HydrophobicContact CD2-CD1 3.79Å; L526-F643 HydrophobicContact CD2-CD2 3.64Å; L526-F643 HydrophobicContact CD2-CE1 4.35Å; L526-F643 HydrophobicContact CD2-CE2 4.22Å; L526-F643 HydrophobicContact CD2-CG 3.39Å; L526-F643 HydrophobicContact CG-CB 3.42Å; L526-F643 VanDerWaalsContact CG-CB 3.42Å; L526-F643 HydrophobicContact CG-CD1 3.86Å; L526-F643 HydrophobicContact CG-CD2 4.39Å; L526-F643 HydrophobicContact CG-CG 3.66Å; L526-L645 HydrophobicContact CD1-CD2 3.8Å; L526-L645 HydrophobicContact CD1-CG 4.43Å
527	H	84.7	Confident	89.1	Confident	45 Å²	45	31.1 Å²	31.1	21%	0.208	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	150.2	179.1	-55.7	-70.4	0	0	0	112.1	S529 F643 T644 R650	H527-S529 PolarHBondContact O-N 3.01Å; H527-F643 CarbonylContact O-C 3.52Å; H527-F643 WeakPolarHBondContact O-CA 3.33Å; H527-T644 HydrophobicContact CB-CG2 4.14Å; H527-T644 PolarHBondContact N-O 3.42Å; H527-T644 PolarHBondContact O-N 3.13Å; H527-R650 HydrophobicContact CB-CG 3.61Å
528	F	87.7	Confident	88.9	Confident	10 Å²	10	29.7 Å²	29.7	4%	0.044	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.6	175.2	-59.8	-86.8	0	0	0	110.8	E510 R513 T531 L641 F643 R650 E651 R654	E510-F528 WeakPolarHBondContact OE1-CE2 3.47Å; R513-F528 HydrophobicContact CB-CE1 4.3Å; R513-F528 HydrophobicContact CB-CZ 3.89Å; R513-F528 VanDerWaalsContact CD-CE2 3.48Å; R513-F528 HydrophobicContact CG-CE2 4.49Å; R513-F528 HydrophobicContact CG-CZ 4.23Å; F528-T531 WeakPolarHBondContact CD1-OG1 3.39Å; F528-L641 HydrophobicContact CD1-CD2 4.35Å; F528-L641 HydrophobicContact CE1-CD2 3.72Å; F528-F643 HydrophobicContact CD1-CD1 4Å; F528-F643 AromaticContact CD1-CE1 3.5Å; F528-F643 HydrophobicContact CD1-CE1 3.5Å; F528-F643 VanDerWaalsContact CD1-CE1 3.5Å; F528-F643 HydrophobicContact CD1-CZ 4.43Å; F528-F643 HydrophobicContact CE1-CD1 4.35Å; F528-F643 AromaticContact CE1-CE1 3.43Å; F528-F643 HydrophobicContact CE1-CE1 3.43Å; F528-F643 VanDerWaalsContact CE1-CE1 3.43Å; F528-F643 HydrophobicContact CE1-CZ 4.15Å; F528-F643 HydrophobicContact CG-CD1 4.49Å; F528-F643 HydrophobicContact CG-CE1 4.32Å; F528-F643 HydrophobicContact CZ-CE1 4.21Å; F528-R650 WeakPolarHBondContact O-CA 3.16Å; F528-E651 HydrophobicContact CB-CB 4.48Å; F528-E651 PolarHBondContact O-N 2.91Å; F528-R654 HydrophobicContact CB-CG 4.28Å; F528-R654 HydrophobicContact CD2-CG 3.78Å; F528-R654 HydrophobicContact CE2-CG 4.48Å; F528-R654 HydrophobicContact CG-CG 4.3Å
529	S	82.5	Confident	88.3	Confident	12 Å²	12	30.6 Å²	30.6	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-36.2	164.4	154	0	0	0	0	110.9	H527 Y576 R577 W642 E651	H527-S529 PolarHBondContact O-N 3.01Å; S529-Y576 WeakPolarHBondContact OG-CE2 3.39Å; S529-R577 PolarHBondContact OG-NE 3.38Å; S529-W642 PolarHBondContact N-O 3.08Å; S529-E651 WeakPolarHBondContact O-CB 3.48Å
530	Y	86.8	Confident	87.4	Confident	55 Å²	55	37 Å²	37	22%	0.216	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	140.5	175.9	-172.4	-128.1	0	0	0	110.3	T484 H532 W642 E651	T484-Y530 HydrophobicContact CG2-CE2 4.25Å; Y530-H532 HydrophobicContact CD1-CB 4.3Å; Y530-H532 HydrophobicContact CE1-CB 3.7Å; Y530-H532 AromaticContact CE1-CG 3.98Å; Y530-W642 AromaticContact CD1-CE3 3.6Å; Y530-W642 HydrophobicContact CD1-CE3 3.6Å; Y530-W642 HydrophobicContact CD1-CH2 4.35Å; Y530-W642 AromaticContact CD1-CZ3 3.41Å; Y530-W642 HydrophobicContact CD1-CZ3 3.41Å; Y530-W642 VanDerWaalsContact CD1-CZ3 3.41Å; Y530-W642 AromaticContact CE1-CZ3 3.99Å; Y530-W642 HydrophobicContact CE1-CZ3 3.99Å; Y530-W642 HydrophobicContact CG-CE3 4.24Å; Y530-W642 HydrophobicContact CG-CZ3 4.42Å; Y530-W642 PolarHBondContact N-O 2.93Å; Y530-W642 PolarHBondContact O-N 3.42Å; Y530-E651 WeakPolarHBondContact CA-OE2 3.4Å; Y530-E651 VanDerWaalsContact CD2-OE1 3.31Å; Y530-E651 WeakPolarHBondContact CD2-OE1 3.35Å
531	T	88.9	Confident	86.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	176.2	-51.6	0	0	0	0	111.3	V485 F505 F528 V639 L641 E651	V485-T531 HydrophobicContact CG2-CG2 3.66Å; F505-T531 HydrophobicContact CE2-CG2 4.32Å; F505-T531 HydrophobicContact CZ-CG2 4.15Å; F528-T531 WeakPolarHBondContact CD1-OG1 3.39Å; T531-V639 HydrophobicContact CG2-CG1 4.37Å; T531-L641 HydrophobicContact CG2-CD2 3.97Å; T531-L641 HydrophobicContact CG2-CG 4.33Å; T531-E651 PolarHBondContact N-OE1 3.36Å; T531-E651 PolarHBondContact N-OE2 2.94Å; T531-E651 PolarHBondContact OG1-OE2 2.63Å
532	H	90.2	Very high	85.3	Confident	5 Å²	5	38.9 Å²	38.9	2%	0.023	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119.3	-171.8	-163.2	-142.1	0	0	0	113	D465 G466 F480 G482 A483 Y530 V639 A640 W642	D465-H532 PolarHBondContact O-NE2 3.27Å; G466-H532 VanDerWaalsContact CA-CE1 3.42Å; G466-H532 WeakPolarHBondContact CA-CE1 3.12Å; G466-H532 VanDerWaalsContact CA-NE2 3.3Å; G466-H532 WeakPolarHBondContact CA-NE2 3.42Å; F480-H532 AromaticContact CE1-CE1 3.71Å; F480-H532 AromaticContact CZ-CE1 3.62Å; G482-H532 WeakPolarHBondContact CA-NE2 3.39Å; A483-H532 PolarHBondContact N-NE2 2.9Å; A483-H532 PolarHBondContact O-CD2 3.28Å; Y530-H532 HydrophobicContact CD1-CB 4.3Å; Y530-H532 HydrophobicContact CE1-CB 3.7Å; Y530-H532 AromaticContact CE1-CG 3.98Å; H532-V639 CarbonylContact O-C 3.56Å; H532-V639 WeakPolarHBondContact O-CA 3.48Å; H532-A640 PolarHBondContact N-O 3.39Å; H532-A640 PolarHBondContact O-N 3.09Å; H532-W642 HydrophobicContact CB-CZ3 4.28Å
533	L	92.6	Very high	84.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	119	165.6	176.9	61.3	0	0	0	107.1	L456 A457 G482 A483 F505 L585 V639	L456-L533 HydrophobicContact CD2-CD2 4.37Å; L456-L533 HydrophobicContact CG-CD2 4.43Å; A457-L533 HydrophobicContact CB-CD1 4.29Å; A457-L533 HydrophobicContact CB-CD2 3.78Å; A457-L533 HydrophobicContact CB-CG 4Å; G482-L533 CarbonylContact C-O 3.53Å; G482-L533 WeakPolarHBondContact CA-O 3.33Å; A483-L533 PolarHBondContact N-O 3.06Å; A483-L533 PolarHBondContact O-N 2.6Å; F505-L533 HydrophobicContact CE1-CB 3.84Å; F505-L533 HydrophobicContact CE2-CB 3.94Å; F505-L533 HydrophobicContact CZ-CB 3.51Å; L533-L585 HydrophobicContact CD1-CD1 3.53Å; L533-V639 HydrophobicContact CD1-CG2 3.9Å
534	V	91.8	Very high	84.5	Confident	15 Å²	15	38.6 Å²	38.6	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.2	-170.4	56.2	0	0	0	0	111.4	F480 E481 C637 A638 A640	F480-V534 HydrophobicContact CD2-CG2 4.08Å; F480-V534 HydrophobicContact CE1-CG2 4.16Å; F480-V534 HydrophobicContact CE2-CG2 3.26Å; F480-V534 HydrophobicContact CZ-CB 4.29Å; F480-V534 HydrophobicContact CZ-CG2 3.29Å; E481-V534 CarbonylContact O-C 3.6Å; E481-V534 WeakPolarHBondContact O-CA 3.24Å; V534-C637 CarbonylContact O-C 3.48Å; V534-C637 VanDerWaalsContact O-CA 3.27Å; V534-C637 WeakPolarHBondContact O-CA 3.29Å; V534-A638 HydrophobicContact CG1-CB 4.37Å; V534-A638 WeakPolarHBondContact CG1-O 3.5Å; V534-A638 PolarHBondContact N-O 2.94Å; V534-A638 PolarHBondContact O-N 3.15Å; V534-A640 HydrophobicContact CG1-CB 4.37Å
535	C	92.3	Very high	84	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.3	171.5	-67.1	0	0	0	0	110.7	A457 E481 Q635 R636 C637	A457-C535 VanDerWaalsContact CB-SG 3.6Å; E481-C535 PolarHBondContact N-O 2.94Å; E481-C535 PolarHBondContact O-N 2.97Å; C535-Q635 HydrophobicContact CB-CG 4.09Å; C535-R636 CarbonylContact C-O 3.59Å; C535-R636 VanDerWaalsContact CA-O 3.29Å; C535-R636 WeakPolarHBondContact CA-O 3.39Å; C535-C637 HydrophobicContact CB-CB 4.22Å; C535-C637 WeakPolarHBondContact CB-SG 3.4Å; C535-C637 WeakPolarHBondContact SG-CB 3.47Å; C535-C637 CovalentContact SG-SG 2.05Å; C535-C637 PolarHBondContact SG-SG 2.81Å
536	R	90.9	Very high	83.6	Confident	16 Å²	16	43.6 Å²	43.6	6%	0.06	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	176.3	-63.7	-171.5	178.8	-154.5	-7.4	110.2	H474 R479 F480 S550 H551 Q635 R636	H474-R536 PolarHBondContact CD2-NH2 2.98Å; H474-R536 PolarHBondContact NE2-NH2 3.18Å; R479-R536 CarbonylContact O-C 3.37Å; R479-R536 WeakPolarHBondContact O-CA 3.44Å; F480-R536 HydrophobicContact CD2-CG 4.05Å; R536-S550 VanDerWaalsContact CD-OG 3.28Å; R536-S550 WeakPolarHBondContact CD-OG 3.33Å; R536-S550 PolarHBondContact NH1-O 3.16Å; R536-S550 PolarHBondContact NH1-OG 3.16Å; R536-H551 PolarHBondContact NH2-CD2 3.39Å; R536-H551 VanDerWaalsContact NH2-CD2 3.25Å; R536-Q635 CarbonylContact O-C 3.59Å; R536-Q635 VanDerWaalsContact O-CA 3.3Å; R536-Q635 WeakPolarHBondContact O-CA 3.3Å; R536-R636 PolarHBondContact N-O 3.22Å; R536-R636 PolarHBondContact O-N 2.84Å
537	T	90.1	Very high	82.7	Confident	34 Å²	34	48.1 Å²	48.1	21%	0.209	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130	-175.2	-49.9	0	0	0	0	110.6	E478 R479 I539 Q635	E478-T537 CarbonylContact C-O 3.27Å; E478-T537 WeakPolarHBondContact CA-O 3.31Å; R479-T537 PolarHBondContact N-O 3.41Å; R479-T537 PolarHBondContact O-N 3.26Å; T537-I539 PolarHBondContact O-N 2.92Å; T537-Q635 HydrophobicContact CG2-CB 4.3Å; T537-Q635 VanDerWaalsContact OG1-CG 3.31Å; T537-Q635 WeakPolarHBondContact OG1-CG 3.37Å; T537-Q635 PolarHBondContact OG1-NE2 2.93Å
538	A	89.8	Confident	82.3	Confident	14 Å²	14	46.4 Å²	46.4	12%	0.116	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.4	172.8	0	0	0	0	0	110.7	Q543 V631 G634	A538-Q543 HydrophobicContact CB-CG 4.45Å; A538-V631 HydrophobicContact CB-CG1 4.4Å; A538-V631 WeakPolarHBondContact CB-O 3.44Å; A538-G634 PolarHBondContact N-O 2.75Å
539	I	83.8	Confident	82.3	Confident	40 Å²	40	48 Å²	48	21%	0.205	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-82.2	123.3	176.5	-60.8	177.3	0	0	0	109.7	P476 N477 R479 T537 G541 Q542 Q543	P476-I539 WeakPolarHBondContact O-CD1 3.29Å; N477-I539 WeakPolarHBondContact O-CB 3.4Å; N477-I539 WeakPolarHBondContact O-CG1 3.42Å; N477-I539 PolarHBondContact O-N 3.02Å; N477-I539 VanDerWaalsContact O-N 3.1Å; R479-I539 HydrophobicContact CB-CG1 4.49Å; T537-I539 PolarHBondContact O-N 2.92Å; I539-G541 PolarHBondContact O-N 2.9Å; I539-Q542 HydrophobicContact CG2-CG 4.12Å; I539-Q542 PolarHBondContact O-N 3.49Å; I539-Q543 WeakPolarHBondContact O-CG 3.42Å; I539-Q543 PolarHBondContact O-NE2 3.42Å
540	T	78	Confident	82.4	Confident	141 Å²	141	47.4 Å²	47.4	87%	0.865	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.2	-179.1	-45.8	0	0	0	0	111.6	Q542	T540-Q542 VanDerWaalsContact C-N 3.34Å
541	G	72.4	Confident	82.4	Confident	70 Å²	70	46.2 Å²	46.2	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	3.4	178.7	0	0	0	0	0	115.4	I539	I539-G541 PolarHBondContact O-N 2.9Å
542	Q	71.4	Confident	82.4	Confident	56 Å²	56	49 Å²	49	26%	0.262	28%	0.275	S	S	.	.	S	Bend	trans	-118.6	19.8	177.1	-58.4	-171.3	7.1	0	0	112.9	P476 I539 T540	P476-Q542 PolarHBondContact O-OE1 3.29Å; I539-Q542 HydrophobicContact CG2-CG 4.12Å; I539-Q542 PolarHBondContact O-N 3.49Å; T540-Q542 VanDerWaalsContact C-N 3.34Å
543	Q	80	Confident	82.4	Confident	29 Å²	29	50.3 Å²	50.3	14%	0.136	28%	0.282	C	S	.	.			trans	-109.8	-6.6	-168.2	-54.3	-57	-45.9	0	0	114.3	N477 A538 I539 H545 V631 T632	N477-Q543 PolarHBondContact O-NE2 3.46Å; A538-Q543 HydrophobicContact CB-CG 4.45Å; I539-Q543 WeakPolarHBondContact O-CG 3.42Å; I539-Q543 PolarHBondContact O-NE2 3.42Å; Q543-H545 PolarHBondContact O-N 2.87Å; Q543-V631 PolarHBondContact OE1-O 3.15Å; Q543-T632 WeakPolarHBondContact CG-O 3.35Å
544	D	71.4	Confident	82.3	Confident	138 Å²	138	52.4 Å²	52.4	74%	0.738	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	127.1	-175.1	-65	-29.9	0	0	0	111.2	R546	D544-R546 VanDerWaalsContact C-N 3.27Å; D544-R546 PolarHBondContact O-N 3.43Å
545	H	68.3	Low	82.3	Confident	195 Å²	195	52.1 Å²	52.1	90%	0.903	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	26.1	177.7	-57.5	-72.9	0	0	0	116.3	Q543	Q543-H545 PolarHBondContact O-N 2.87Å
546	R	72.6	Confident	82.3	Confident	39 Å²	39	52.6 Å²	52.6	15%	0.147	29%	0.294	C	S	.	.			trans	-64.9	132.8	176.1	-76.7	-146.2	-53.3	149.4	-9.3	113.1	N477 E478 D544 D548 V631	N477-R546 WeakPolarHBondContact ND2-CD 3.23Å; E478-R546 IonicContact OE1-CZ 3.67Å; E478-R546 IonicContact OE1-NH1 2.72Å; E478-R546 PolarHBondContact OE1-NH1 2.94Å; E478-R546 IonicContact OE1-NH2 2.72Å; E478-R546 PolarHBondContact OE1-NH2 2.96Å; D544-R546 VanDerWaalsContact C-N 3.27Å; D544-R546 PolarHBondContact O-N 3.43Å; R546-D548 VanDerWaalsContact CB-OD1 3.3Å; R546-D548 WeakPolarHBondContact CB-OD1 3.36Å; R546-D548 WeakPolarHBondContact CD-OD1 3.17Å; R546-D548 IonicContact CZ-OD1 2.87Å; R546-D548 IonicContact CZ-OD2 3.82Å; R546-D548 IonicContact NE-OD1 3.99Å; R546-D548 VanDerWaalsContact NH1-CG 3.35Å; R546-D548 IonicContact NH1-OD1 3.51Å; R546-D548 PolarHBondContact NH1-OD1 3.21Å; R546-D548 IonicContact NH1-OD2 3.44Å; R546-D548 PolarHBondContact NH1-OD2 3.09Å; R546-V631 VanDerWaalsContact NH2-C 3.29Å; R546-V631 PolarHBondContact NH2-O 2.95Å
547	N	70.9	Confident	82.2	Confident	96 Å²	96	52 Å²	52	51%	0.513	29%	0.292	S	S	.	.			trans	-132.6	14.5	170.9	66	1.2	0	0	0	112	Q166	Q166-N547 VanDerWaalsContact CD-ND2 3.3Å; Q166-N547 PolarHBondContact NE2-ND2 2.91Å; Q166-N547 VanDerWaalsContact OE1-CG 3.32Å; Q166-N547 PolarHBondContact OE1-ND2 3.28Å; Q166-N547 PolarHBondContact OE1-OD1 3.48Å; Q166-N547 VanDerWaalsContact OE1-OD1 3.08Å
548	D	75.6	Confident	81.8	Confident	9 Å²	9	50.7 Å²	50.7	5%	0.048	28%	0.284	C	S	.	.			trans	-72.3	166.1	177.5	56.9	-31.5	0	0	0	113	E163 T475 N477 R546 A630	E163-D548 HydrophobicContact CG-CB 3.5Å; E163-D548 WeakPolarHBondContact OE1-CB 3.44Å; T475-D548 PolarHBondContact OG1-OD2 3.2Å; T475-D548 VanDerWaalsContact OG1-OD2 3.06Å; N477-D548 PolarHBondContact ND2-OD2 2.97Å; R546-D548 VanDerWaalsContact CB-OD1 3.3Å; R546-D548 WeakPolarHBondContact CB-OD1 3.36Å; R546-D548 WeakPolarHBondContact CD-OD1 3.17Å; R546-D548 IonicContact CZ-OD1 2.87Å; R546-D548 IonicContact CZ-OD2 3.82Å; R546-D548 IonicContact NE-OD1 3.99Å; R546-D548 VanDerWaalsContact NH1-CG 3.35Å; R546-D548 IonicContact NH1-OD1 3.51Å; R546-D548 PolarHBondContact NH1-OD1 3.21Å; R546-D548 IonicContact NH1-OD2 3.44Å; R546-D548 PolarHBondContact NH1-OD2 3.09Å; D548-A630 VanDerWaalsContact O-CB 3.29Å; D548-A630 WeakPolarHBondContact O-CB 3.32Å; D548-A630 PolarHBondContact O-N 3.3Å; D548-A630 VanDerWaalsContact O-N 3.1Å; D548-A630 WeakPolarHBondContact OD1-CB 3.13Å
549	L	87.1	Confident	80.9	Confident	44 Å²	44	51.7 Å²	51.7	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.2	167.9	-63.6	-179.7	0	0	0	108.7	H551 I553 I595 V628 K629	L549-H551 WeakPolarHBondContact CB-O 3.28Å; L549-H551 PolarHBondContact O-N 3.02Å; L549-I553 HydrophobicContact CD1-CD1 3.77Å; L549-I553 HydrophobicContact CD1-CG1 3.69Å; L549-I595 HydrophobicContact CD2-CD1 4Å; L549-V628 CarbonylContact C-O 3.58Å; L549-V628 VanDerWaalsContact CA-O 3.28Å; L549-V628 WeakPolarHBondContact CA-O 3.3Å; L549-V628 WeakPolarHBondContact CB-O 3.02Å; L549-K629 HydrophobicContact CD2-CG 4.33Å
550	S	86.4	Confident	80.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	-43.3	166.7	178.8	0	0	0	0	109.5	H474 E478 R536 V628 K629	H474-S550 VanDerWaalsContact CB-O 3.22Å; H474-S550 WeakPolarHBondContact CB-O 3.38Å; E478-S550 VanDerWaalsContact OE2-CB 3.27Å; E478-S550 WeakPolarHBondContact OE2-CB 3.32Å; E478-S550 PolarHBondContact OE2-OG 3.13Å; R536-S550 VanDerWaalsContact CD-OG 3.28Å; R536-S550 WeakPolarHBondContact CD-OG 3.33Å; R536-S550 PolarHBondContact NH1-O 3.16Å; R536-S550 PolarHBondContact NH1-OG 3.16Å; S550-V628 PolarHBondContact N-O 3.15Å; S550-K629 VanDerWaalsContact CB-O 3.24Å; S550-K629 WeakPolarHBondContact CB-O 3.47Å
551	H	86.3	Confident	80.7	Confident	29 Å²	29	46.6 Å²	46.6	13%	0.134	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.1	173.7	-162.3	-55.4	0	0	0	109.6	H474 R536 L549 H554 G627 V628	H474-H551 AromaticContact CE1-NE2 3.77Å; H474-H551 AromaticContact NE2-CD2 3.94Å; H474-H551 AromaticContact NE2-NE2 3.87Å; R536-H551 PolarHBondContact NH2-CD2 3.39Å; R536-H551 VanDerWaalsContact NH2-CD2 3.25Å; L549-H551 WeakPolarHBondContact CB-O 3.28Å; L549-H551 PolarHBondContact O-N 3.02Å; H551-H554 AromaticContact CE1-CE1 3.09Å; H551-H554 PolarHBondContact CE1-CE1 3.04Å; H551-H554 AromaticContact CE1-ND1 3.43Å; H551-H554 PolarHBondContact CE1-ND1 3.03Å; H551-H554 AromaticContact CE1-NE2 3.54Å; H551-H554 AromaticContact ND1-CE1 3.37Å; H551-H554 PolarHBondContact ND1-CE1 3.37Å; H551-H554 AromaticContact ND1-ND1 3.47Å; H551-H554 PolarHBondContact ND1-ND1 3.5Å; H551-H554 AromaticContact NE2-CE1 3.88Å; H551-G627 WeakPolarHBondContact O-CA 3.31Å; H551-V628 HydrophobicContact CB-CB 3.82Å; H551-V628 HydrophobicContact CB-CG2 3.87Å; H551-V628 PolarHBondContact N-O 3.28Å; H551-V628 VanDerWaalsContact N-O 3.11Å; H551-V628 PolarHBondContact O-N 3.14Å
552	P	87.9	Confident	80.9	Confident	59 Å²	59	45.3 Å²	45.3	38%	0.383	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	154.6	178	-26.4	34.3	0	0	0	113.2	H554	P552-H554 PolarHBondContact O-N 3.08Å; P552-H554 PolarHBondContact O-ND1 3.49Å
553	I	91.2	Very high	80.8	Confident	32 Å²	32	48.3 Å²	48.3	16%	0.164	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	128.5	172.6	-55.8	-56.8	0	0	0	109.2	L549 L560 I595 T597 A601 P625 H626	L549-I553 HydrophobicContact CD1-CD1 3.77Å; L549-I553 HydrophobicContact CD1-CG1 3.69Å; I553-L560 HydrophobicContact CG2-CD2 4.13Å; I553-I595 HydrophobicContact CD1-CD1 3.74Å; I553-I595 HydrophobicContact CD1-CG1 4Å; I553-T597 HydrophobicContact CD1-CG2 3.72Å; I553-T597 HydrophobicContact CG1-CG2 4.2Å; I553-T597 HydrophobicContact CG2-CG2 4.33Å; I553-T597 WeakPolarHBondContact CG2-OG1 3.26Å; I553-A601 HydrophobicContact CB-CB 4.08Å; I553-A601 HydrophobicContact CG2-CB 3.75Å; I553-P625 HydrophobicContact CG2-CB 4.19Å; I553-H626 CarbonylContact C-O 3.56Å; I553-H626 VanDerWaalsContact CA-O 3.25Å; I553-H626 WeakPolarHBondContact CA-O 3.08Å
554	H	89.8	Confident	80.3	Confident	45 Å²	45	49.2 Å²	49.2	21%	0.208	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	169.7	179.4	65.5	-60.3	0	0	0	110.9	H551 P552 D556 P625 H626	H551-H554 AromaticContact CE1-CE1 3.09Å; H551-H554 PolarHBondContact CE1-CE1 3.04Å; H551-H554 AromaticContact CE1-ND1 3.43Å; H551-H554 PolarHBondContact CE1-ND1 3.03Å; H551-H554 AromaticContact CE1-NE2 3.54Å; H551-H554 AromaticContact ND1-CE1 3.37Å; H551-H554 PolarHBondContact ND1-CE1 3.37Å; H551-H554 AromaticContact ND1-ND1 3.47Å; H551-H554 PolarHBondContact ND1-ND1 3.5Å; H551-H554 AromaticContact NE2-CE1 3.88Å; P552-H554 PolarHBondContact O-N 3.08Å; P552-H554 PolarHBondContact O-ND1 3.49Å; H554-D556 IonicContact CD2-OD1 3.63Å; H554-D556 IonicContact NE2-OD1 3.54Å; H554-D556 PolarHBondContact NE2-OD1 3.19Å; H554-P625 WeakPolarHBondContact O-CA 3.37Å; H554-H626 AromaticContact CE1-CD2 3.79Å; H554-H626 AromaticContact CE1-NE2 3.38Å; H554-H626 PolarHBondContact CE1-NE2 2.75Å; H554-H626 PolarHBondContact N-O 2.79Å; H554-H626 PolarHBondContact ND1-O 2.94Å; H554-H626 AromaticContact NE2-NE2 3.59Å; H554-H626 PolarHBondContact O-N 2.85Å
555	A	92.7	Very high	80.6	Confident	9 Å²	9	46.9 Å²	46.9	7%	0.074	25%	0.251	C	S	.	.			trans	-109.9	148.3	161.6	0	0	0	0	0	108.8
556	D	90.9	Very high	81.3	Confident	9 Å²	9	41.9 Å²	41.9	5%	0.048	23%	0.228	C	C	.	.	S	Bend	trans	-81.7	-24	-170.4	-89.9	-43	0	0	0	113.5	H554 R577 S580 S620 H626 W642	H554-D556 IonicContact CD2-OD1 3.63Å; H554-D556 IonicContact NE2-OD1 3.54Å; H554-D556 PolarHBondContact NE2-OD1 3.19Å; D556-R577 IonicContact OD1-NH1 2.87Å; D556-S580 VanDerWaalsContact OD2-CB 3.24Å; D556-S580 WeakPolarHBondContact OD2-CB 3.32Å; D556-S580 PolarHBondContact OD2-OG 3.26Å; D556-S620 PolarHBondContact N-O 3.31Å; D556-H626 IonicContact OD2-CE1 3.57Å; D556-H626 PolarHBondContact OD2-CE1 3.42Å; D556-H626 IonicContact OD2-NE2 2.84Å; D556-W642 PolarHBondContact OD1-NE1 3.32Å; D556-W642 PolarHBondContact OD2-NE1 3.47Å
557	N	90	Very high	81.7	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.027	23%	0.231	C	C	.	.	S	Bend	trans	-119	4.6	-176.9	82	11	0	0	0	115.2	Y574 T575 R577 S620 G621	N557-Y574 WeakPolarHBondContact CA-O 3.45Å; N557-Y574 WeakPolarHBondContact CB-O 3.3Å; N557-T575 VanDerWaalsContact O-CA 3.32Å; N557-T575 WeakPolarHBondContact O-CA 3.32Å; N557-R577 HydrophobicContact CB-CB 3.96Å; N557-R577 WeakPolarHBondContact CB-O 3.29Å; N557-R577 PolarHBondContact ND2-O 2.5Å; N557-S620 PolarHBondContact N-O 2.84Å; N557-S620 PolarHBondContact OD1-O 3.25Å; N557-G621 VanDerWaalsContact OD1-CA 3.24Å; N557-G621 WeakPolarHBondContact OD1-CA 3.14Å
558	C	81.4	Confident	81.7	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.041	23%	0.227	C	C	.	.	S	Bend	trans	-150.6	157.8	179.6	53.3	0	0	0	0	111.2	L560 C567 W568 K569 G622	C558-L560 PolarHBondContact O-N 3.43Å; C558-C567 HydrophobicContact CB-CB 3.86Å; C558-C567 WeakPolarHBondContact CB-SG 3.46Å; C558-C567 WeakPolarHBondContact SG-CB 3.49Å; C558-C567 CovalentContact SG-SG 2.01Å; C558-C567 PolarHBondContact SG-SG 3.18Å; C558-W568 CarbonylContact C-O 3.2Å; C558-W568 VanDerWaalsContact CA-O 3.28Å; C558-W568 WeakPolarHBondContact CA-O 3.46Å; C558-W568 VanDerWaalsContact CB-O 3.3Å; C558-W568 WeakPolarHBondContact CB-O 3.46Å; C558-K569 HydrophobicContact CB-CG 3.95Å; C558-G622 PolarHBondContact SG-N 2.92Å; C558-G622 VanDerWaalsContact SG-N 3.41Å
559	L	70.6	Confident	81.7	Confident	34 Å²	34	48.2 Å²	48.2	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.6	174.9	-55.5	172	0	0	0	107.8	L278 D561 C567 W568 E570 P572 A573	L278-L559 HydrophobicContact CD1-CD1 3.73Å; L278-L559 HydrophobicContact CD1-CD2 3.9Å; L278-L559 HydrophobicContact CD1-CG 4.33Å; L559-D561 PolarHBondContact O-N 3.19Å; L559-C567 WeakPolarHBondContact O-CA 3.16Å; L559-W568 HydrophobicContact CB-CB 4.34Å; L559-W568 PolarHBondContact N-O 3.31Å; L559-W568 PolarHBondContact O-N 3.09Å; L559-E570 HydrophobicContact CD1-CG 3.79Å; L559-P572 HydrophobicContact CD2-CG 4.19Å; L559-A573 HydrophobicContact CD2-CB 3.81Å; L559-A573 HydrophobicContact CG-CB 3.89Å
560	L	78.3	Confident	80.3	Confident	35 Å²	35	49.9 Å²	49.9	18%	0.183	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.5	178.7	-174.8	68.4	0	0	0	109.6	I553 C558 P562 M599 A601 P625	I553-L560 HydrophobicContact CG2-CD2 4.13Å; C558-L560 PolarHBondContact O-N 3.43Å; L560-P562 HydrophobicContact CG-CG 4.47Å; L560-P562 WeakPolarHBondContact O-CD 3.21Å; L560-M599 HydrophobicContact CD1-CB 4.36Å; L560-M599 HydrophobicContact CD1-CG 4.47Å; L560-A601 HydrophobicContact CD2-CB 4.19Å; L560-P625 HydrophobicContact CD1-CG 4.07Å; L560-P625 HydrophobicContact CD2-CB 3.88Å; L560-P625 HydrophobicContact CD2-CG 4.31Å
561	D	78.8	Confident	78.1	Confident	40 Å²	40	54.9 Å²	54.9	21%	0.214	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	101.5	167.9	-171.2	-27.9	0	0	0	109.3	L559 D563 A564 N565 E566	L559-D561 PolarHBondContact O-N 3.19Å; D561-D563 VanDerWaalsContact C-N 3.29Å; D561-D563 PolarHBondContact O-N 3.02Å; D561-D563 PolarHBondContact OD1-N 3.33Å; D561-A564 HydrophobicContact CB-CB 4.16Å; D561-A564 PolarHBondContact OD1-N 3.22Å; D561-A564 VanDerWaalsContact OD1-N 3.09Å; D561-N565 WeakPolarHBondContact O-CA 3.24Å; D561-N565 PolarHBondContact O-N 3.37Å; D561-E566 PolarHBondContact N-O 2.84Å; D561-E566 PolarHBondContact O-N 2.89Å; D561-E566 VanDerWaalsContact O-N 3.15Å
562	P	76.4	Confident	76.3	Confident	43 Å²	43	57.4 Å²	57.4	28%	0.279	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.7	-179.1	-22.1	35.1	0	0	0	114.6	L560 M599 A601	L560-P562 HydrophobicContact CG-CG 4.47Å; L560-P562 WeakPolarHBondContact O-CD 3.21Å; P562-M599 WeakPolarHBondContact CA-O 3.21Å; P562-A601 HydrophobicContact CB-CB 4.03Å; P562-A601 HydrophobicContact CG-CB 3.7Å
563	D	70.9	Confident	74.8	Confident	118 Å²	118	55.4 Å²	55.4	63%	0.631	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-40.2	-176.9	-65.7	-34.8	0	0	0	110.4	R277 D561 N565	R277-D563 IonicContact NH2-OD2 3.95Å; D561-D563 VanDerWaalsContact C-N 3.29Å; D561-D563 PolarHBondContact O-N 3.02Å; D561-D563 PolarHBondContact OD1-N 3.33Å; D563-N565 VanDerWaalsContact C-N 3.34Å
564	A	68.4	Low	73.8	Confident	48 Å²	48	59.5 Å²	59.5	40%	0.397	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.8	173.9	0	0	0	0	0	113.2	D561 E566	D561-A564 HydrophobicContact CB-CB 4.16Å; D561-A564 PolarHBondContact OD1-N 3.22Å; D561-A564 VanDerWaalsContact OD1-N 3.09Å; A564-E566 HydrophobicContact CB-CB 4.18Å; A564-E566 HydrophobicContact CB-CG 4.31Å; A564-E566 PolarHBondContact O-N 3.18Å
565	N	78.5	Confident	73.2	Confident	89 Å²	89	59.7 Å²	59.7	48%	0.476	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	39	-172.3	-158.5	64.2	0	0	0	112	D561 D563 M599	D561-N565 WeakPolarHBondContact O-CA 3.24Å; D561-N565 PolarHBondContact O-N 3.37Å; D563-N565 VanDerWaalsContact C-N 3.34Å; N565-M599 WeakPolarHBondContact O-CE 3.28Å; N565-M599 WeakPolarHBondContact OD1-CB 3.32Å
566	E	82.4	Confident	72.4	Confident	90 Å²	90	62 Å²	62	42%	0.421	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.3	-174.9	-76.7	-178.2	149.9	0	0	111.2	D561 A564 W568	D561-E566 PolarHBondContact N-O 2.84Å; D561-E566 PolarHBondContact O-N 2.89Å; D561-E566 VanDerWaalsContact O-N 3.15Å; A564-E566 HydrophobicContact CB-CB 4.18Å; A564-E566 HydrophobicContact CB-CG 4.31Å; A564-E566 PolarHBondContact O-N 3.18Å; E566-W568 HydrophobicContact CB-CZ2 4.34Å; E566-W568 WeakPolarHBondContact OE2-CH2 3.43Å; E566-W568 WeakPolarHBondContact OE2-CZ2 3.32Å
567	C	81.2	Confident	72.3	Confident	31 Å²	31	62.4 Å²	62.4	21%	0.209	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	104.7	175.3	-149.3	0	0	0	0	110.3	C558 L559 M599	C558-C567 HydrophobicContact CB-CB 3.86Å; C558-C567 WeakPolarHBondContact CB-SG 3.46Å; C558-C567 WeakPolarHBondContact SG-CB 3.49Å; C558-C567 CovalentContact SG-SG 2.01Å; C558-C567 PolarHBondContact SG-SG 3.18Å; L559-C567 WeakPolarHBondContact O-CA 3.16Å; C567-M599 HydrophobicContact CB-CE 3.72Å
568	W	71.3	Confident	72.3	Confident	112 Å²	112	64.3 Å²	64.3	42%	0.424	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.7	-170.6	-55.5	95.2	0	0	0	110.8	C558 L559 E566 E570	C558-W568 CarbonylContact C-O 3.2Å; C558-W568 VanDerWaalsContact CA-O 3.28Å; C558-W568 WeakPolarHBondContact CA-O 3.46Å; C558-W568 VanDerWaalsContact CB-O 3.3Å; C558-W568 WeakPolarHBondContact CB-O 3.46Å; L559-W568 HydrophobicContact CB-CB 4.34Å; L559-W568 PolarHBondContact N-O 3.31Å; L559-W568 PolarHBondContact O-N 3.09Å; E566-W568 HydrophobicContact CB-CZ2 4.34Å; E566-W568 WeakPolarHBondContact OE2-CH2 3.43Å; E566-W568 WeakPolarHBondContact OE2-CZ2 3.32Å; W568-E570 VanDerWaalsContact C-N 3.3Å; W568-E570 HydrophobicContact CB-CG 4.1Å; W568-E570 PolarHBondContact O-N 3.32Å; W568-E570 VanDerWaalsContact O-N 3.11Å
569	K	74.6	Confident	73.1	Confident	135 Å²	135	64.6 Å²	64.6	59%	0.587	34%	0.336	S	S	*	.			trans	-85.9	72.4	176.1	-71.8	-169	174.8	-165	0	110.5	C558 T575	C558-K569 HydrophobicContact CB-CG 3.95Å; K569-T575 HydrophobicContact CB-CG2 4.09Å; K569-T575 WeakPolarHBondContact O-CG2 3.44Å
570	E	57.5	Low	74.4	Confident	78 Å²	78	63 Å²	63	36%	0.364	33%	0.328	S	S	.	.			trans	-142	158.9	177.3	62.7	-176.3	-162.3	0	0	112.3	L559 W568 A573 T575	L559-E570 HydrophobicContact CD1-CG 3.79Å; W568-E570 VanDerWaalsContact C-N 3.3Å; W568-E570 HydrophobicContact CB-CG 4.1Å; W568-E570 PolarHBondContact O-N 3.32Å; W568-E570 VanDerWaalsContact O-N 3.11Å; E570-A573 VanDerWaalsContact O-CB 3.31Å; E570-A573 WeakPolarHBondContact O-CB 3.41Å; E570-A573 PolarHBondContact O-N 3.36Å; E570-T575 VanDerWaalsContact N-CG2 3.33Å
571	P	41.5	Very low	75.4	Confident	106 Å²	106	61.3 Å²	61.3	69%	0.688	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	139.4	173.1	-24.1	34.8	0	0	0	111.3
572	P	47.1	Very low	76.3	Confident	81 Å²	81	60.4 Å²	60.4	53%	0.526	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.8	9.4	14	35.9	-38	0	0	0	115.3	L278 L559	L278-P572 HydrophobicContact CD1-CG 4.4Å; L559-P572 HydrophobicContact CD2-CG 4.19Å
573	A	56.8	Low	77.3	Confident	17 Å²	17	58.4 Å²	58.4	14%	0.14	30%	0.301	C	S	.	.	S	Bend	trans	-65.5	147.5	176.6	0	0	0	0	0	111.1	L559 E570 T575	L559-A573 HydrophobicContact CD2-CB 3.81Å; L559-A573 HydrophobicContact CG-CB 3.89Å; E570-A573 VanDerWaalsContact O-CB 3.31Å; E570-A573 WeakPolarHBondContact O-CB 3.41Å; E570-A573 PolarHBondContact O-N 3.36Å; A573-T575 HydrophobicContact CB-CG2 4.35Å; A573-T575 PolarHBondContact O-N 3.38Å
574	Y	71.3	Confident	78.6	Confident	118 Å²	118	52.8 Å²	52.8	46%	0.463	27%	0.271	S	S	.	.			trans	-78.3	71.1	172.7	-59.4	-66	0	0	0	109.7	N557 Y576 R577	N557-Y574 WeakPolarHBondContact CA-O 3.45Å; N557-Y574 WeakPolarHBondContact CB-O 3.3Å; Y574-Y576 AromaticContact CD1-CE1 3.89Å; Y574-Y576 HydrophobicContact CD1-CE1 3.89Å; Y574-Y576 AromaticContact CD1-CZ 3.63Å; Y574-Y576 WeakPolarHBondContact CD1-OH 3.23Å; Y574-Y576 PolarHBondContact O-N 3.29Å; Y574-R577 WeakPolarHBondContact O-CB 3.35Å; Y574-R577 PolarHBondContact O-N 2.76Å
575	T	76.1	Confident	80	Confident	49 Å²	49	50.6 Å²	50.6	30%	0.301	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.8	-172.2	60.1	0	0	0	0	114.9	N557 K569 E570 A573	N557-T575 VanDerWaalsContact O-CA 3.32Å; N557-T575 WeakPolarHBondContact O-CA 3.32Å; K569-T575 HydrophobicContact CB-CG2 4.09Å; K569-T575 WeakPolarHBondContact O-CG2 3.44Å; E570-T575 VanDerWaalsContact N-CG2 3.33Å; A573-T575 HydrophobicContact CB-CG2 4.35Å; A573-T575 PolarHBondContact O-N 3.38Å
576	Y	77.3	Confident	80.9	Confident	59 Å²	59	46.7 Å²	46.7	23%	0.231	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.7	177.5	56.9	-99	0	0	0	114.2	S529 Y574 T644 Y649	S529-Y576 WeakPolarHBondContact OG-CE2 3.39Å; Y574-Y576 AromaticContact CD1-CE1 3.89Å; Y574-Y576 HydrophobicContact CD1-CE1 3.89Å; Y574-Y576 AromaticContact CD1-CZ 3.63Å; Y574-Y576 WeakPolarHBondContact CD1-OH 3.23Å; Y574-Y576 PolarHBondContact O-N 3.29Å; Y576-T644 WeakPolarHBondContact O-CB 3.46Å; Y576-T644 PolarHBondContact O-OG1 3.45Å; Y576-Y649 VanDerWaalsContact CB-CD2 3.49Å; Y576-Y649 AromaticContact CD1-CD1 3.37Å; Y576-Y649 HydrophobicContact CD1-CD1 3.37Å; Y576-Y649 HydrophobicContact CD1-CD2 4.5Å; Y576-Y649 AromaticContact CD1-CE1 3.64Å; Y576-Y649 HydrophobicContact CD1-CE1 3.64Å; Y576-Y649 AromaticContact CD1-CG 3.84Å; Y576-Y649 HydrophobicContact CD1-CG 3.84Å; Y576-Y649 VanDerWaalsContact CD2-CB 3.41Å; Y576-Y649 HydrophobicContact CD2-CD1 4.02Å; Y576-Y649 AromaticContact CD2-CG 3.77Å; Y576-Y649 HydrophobicContact CD2-CG 3.77Å; Y576-Y649 AromaticContact CE1-CD1 3.73Å; Y576-Y649 HydrophobicContact CE1-CD1 3.73Å; Y576-Y649 HydrophobicContact CE1-CE1 4.16Å; Y576-Y649 HydrophobicContact CE1-CG 4.45Å; Y576-Y649 HydrophobicContact CE2-CD1 4.31Å; Y576-Y649 HydrophobicContact CE2-CG 4.37Å; Y576-Y649 AromaticContact CG-CD1 3.51Å; Y576-Y649 HydrophobicContact CG-CD1 3.51Å; Y576-Y649 AromaticContact CG-CD2 3.98Å; Y576-Y649 HydrophobicContact CG-CD2 3.98Å; Y576-Y649 HydrophobicContact CG-CE1 4.09Å; Y576-Y649 HydrophobicContact CG-CE2 4.5Å; Y576-Y649 AromaticContact CG-CG 3.44Å; Y576-Y649 HydrophobicContact CG-CG 3.44Å; Y576-Y649 VanDerWaalsContact CG-CG 3.44Å
577	R	87.6	Confident	81.5	Confident	17 Å²	17	43.9 Å²	43.9	6%	0.064	23%	0.227	C	C	.	.			trans	-75.5	128.2	174.2	-71.4	179.5	176.4	-179.2	-3	109.9	S529 D556 N557 Y574 W642 F643	S529-R577 PolarHBondContact OG-NE 3.38Å; D556-R577 IonicContact OD1-NH1 2.87Å; N557-R577 HydrophobicContact CB-CB 3.96Å; N557-R577 WeakPolarHBondContact CB-O 3.29Å; N557-R577 PolarHBondContact ND2-O 2.5Å; Y574-R577 WeakPolarHBondContact O-CB 3.35Å; Y574-R577 PolarHBondContact O-N 2.76Å; R577-W642 HydrophobicContact CG-CB 4.3Å; R577-W642 VanDerWaalsContact NH1-NE1 3.16Å; R577-F643 CarbonylContact C-O 3.45Å; R577-F643 WeakPolarHBondContact CA-O 3.33Å
578	D	91.4	Very high	82	Confident	44 Å²	44	47.7 Å²	47.7	24%	0.235	25%	0.246	C	C	.	.			trans	-108.6	-39.7	-177.8	-65	-72.6	0	0	0	111.9	S619 S620 F643 T644 L645	D578-S619 CarbonylContact O-C 3.59Å; D578-S619 WeakPolarHBondContact O-CA 3.35Å; D578-S620 PolarHBondContact O-N 3.1Å; D578-F643 PolarHBondContact N-O 3.08Å; D578-T644 WeakPolarHBondContact OD2-CA 3.46Å; D578-L645 HydrophobicContact CB-CD1 4.01Å; D578-L645 HydrophobicContact CB-CG 3.86Å; D578-L645 WeakPolarHBondContact OD2-CB 3.38Å; D578-L645 PolarHBondContact OD2-N 2.66Å
579	Y	97.3	Very high	83.1	Confident	13 Å²	13	43 Å²	43	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.6	180	-68.9	-91.8	0	0	0	111.5	Q437 V516 F520 L522 L526 F618 S620 F643	Q437-Y579 PolarHBondContact OE1-OH 2.99Å; V516-Y579 HydrophobicContact CG1-CD1 4.32Å; V516-Y579 HydrophobicContact CG1-CG 4.32Å; F520-Y579 HydrophobicContact CB-CE1 3.89Å; F520-Y579 HydrophobicContact CD1-CE1 4.17Å; F520-Y579 AromaticContact CD2-CD1 3.67Å; F520-Y579 HydrophobicContact CD2-CD1 3.67Å; F520-Y579 AromaticContact CD2-CE1 3.61Å; F520-Y579 HydrophobicContact CD2-CE1 3.61Å; F520-Y579 AromaticContact CE2-CD1 3.96Å; F520-Y579 HydrophobicContact CE2-CD1 3.96Å; F520-Y579 HydrophobicContact CE2-CE1 4.15Å; F520-Y579 HydrophobicContact CG-CD1 4.18Å; F520-Y579 AromaticContact CG-CE1 3.62Å; F520-Y579 HydrophobicContact CG-CE1 3.62Å; L522-Y579 HydrophobicContact CD1-CD2 3.99Å; L522-Y579 HydrophobicContact CD1-CE2 3.85Å; L522-Y579 HydrophobicContact CD2-CE1 4.43Å; L522-Y579 HydrophobicContact CD2-CE2 3.58Å; L522-Y579 WeakPolarHBondContact CD2-OH 3.45Å; L522-Y579 HydrophobicContact CG-CE2 4.4Å; L526-Y579 HydrophobicContact CD1-CD2 4.02Å; Y579-F618 WeakPolarHBondContact CA-O 3.34Å; Y579-S620 VanDerWaalsContact CA-OG 3.32Å; Y579-S620 WeakPolarHBondContact CA-OG 3.43Å; Y579-S620 PolarHBondContact N-OG 3.28Å; Y579-S620 PolarHBondContact O-OG 3.28Å; Y579-F643 PolarHBondContact N-O 3.24Å; Y579-F643 WeakPolarHBondContact O-CA 3.27Å; Y579-F643 WeakPolarHBondContact O-CB 3.38Å; Y579-F643 WeakPolarHBondContact O-CD2 3.26Å; Y579-F643 PolarHBondContact O-N 2.89Å
580	S	98.1	Very high	84	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.7	177.8	-59.2	0	0	0	0	110.1	D556 G617 F618 S620 L641 W642	D556-S580 VanDerWaalsContact OD2-CB 3.24Å; D556-S580 WeakPolarHBondContact OD2-CB 3.32Å; D556-S580 PolarHBondContact OD2-OG 3.26Å; S580-G617 WeakPolarHBondContact O-CA 3.44Å; S580-F618 PolarHBondContact N-O 3.25Å; S580-F618 PolarHBondContact O-N 2.91Å; S580-F618 VanDerWaalsContact O-O 3.13Å; S580-S620 PolarHBondContact N-OG 2.89Å; S580-S620 PolarHBondContact OG-OG 3.44Å; S580-L641 CarbonylContact C-O 3.59Å; S580-L641 WeakPolarHBondContact CA-O 3.17Å; S580-W642 VanDerWaalsContact OG-CD1 3.31Å
581	A	98.3	Very high	85.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143.2	174.3	0	0	0	0	0	112.5	V512 V516 L615 V616 L641 F643	V512-A581 HydrophobicContact CG1-CB 3.77Å; V516-A581 HydrophobicContact CG2-CB 4.04Å; A581-L615 HydrophobicContact CB-CD1 4.02Å; A581-V616 CarbonylContact C-O 3.53Å; A581-V616 WeakPolarHBondContact CA-O 3.19Å; A581-L641 HydrophobicContact CB-CD1 4.3Å; A581-L641 PolarHBondContact N-O 3.21Å; A581-L641 PolarHBondContact O-N 2.9Å; A581-F643 HydrophobicContact CB-CE2 3.97Å
582	L	98.1	Very high	88.2	Confident	21 Å²	21	34.1 Å²	34.1	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.9	172.9	-77.7	86.6	0	0	0	109.9	Y584 F594 L615 V616 F618 V639 A640	L582-Y584 HydrophobicContact CB-CE1 4.49Å; L582-Y584 HydrophobicContact CD2-CE1 4.42Å; L582-F594 HydrophobicContact CD1-CE2 4.02Å; L582-F594 HydrophobicContact CD2-CD2 4.18Å; L582-F594 HydrophobicContact CD2-CE2 4.22Å; L582-L615 WeakPolarHBondContact O-CA 3.42Å; L582-V616 PolarHBondContact N-O 2.96Å; L582-V616 PolarHBondContact O-N 3.42Å; L582-F618 HydrophobicContact CD1-CE1 4.04Å; L582-F618 HydrophobicContact CD1-CZ 4.32Å; L582-V639 WeakPolarHBondContact CA-O 3.48Å; L582-A640 HydrophobicContact CG-CB 4.47Å
583	L	98.6	Very high	90.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.6	173.6	180	65.4	0	0	0	110	V444 I445 T508 V512 L615 A638 V639	V444-L583 HydrophobicContact CB-CD1 3.84Å; V444-L583 HydrophobicContact CG1-CD1 3.94Å; V444-L583 HydrophobicContact CG1-CD2 4.46Å; I445-L583 HydrophobicContact CD1-CD2 3.95Å; I445-L583 HydrophobicContact CD1-CG 4.39Å; I445-L583 HydrophobicContact CG1-CD1 4.41Å; I445-L583 HydrophobicContact CG1-CD2 4.19Å; I445-L583 HydrophobicContact CG2-CD2 4.09Å; T508-L583 HydrophobicContact CG2-CD2 3.35Å; V512-L583 HydrophobicContact CG2-CB 4.31Å; V512-L583 HydrophobicContact CG2-CD2 3.94Å; L583-L615 HydrophobicContact CB-CD1 3.95Å; L583-L615 HydrophobicContact CD1-CB 4.07Å; L583-L615 HydrophobicContact CD1-CD1 4.37Å; L583-A638 CarbonylContact O-C 3.26Å; L583-A638 WeakPolarHBondContact O-CA 3.43Å; L583-A638 WeakPolarHBondContact O-CB 3.4Å; L583-V639 HydrophobicContact CB-CB 4.33Å; L583-V639 PolarHBondContact N-O 2.89Å; L583-V639 PolarHBondContact O-N 3.1Å
584	Y	98.3	Very high	92.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136	-179.8	-65.6	-56.4	0	0	0	112.5	L582 F594 P610 K611 G613 R614 V616 R636 A638	L582-Y584 HydrophobicContact CB-CE1 4.49Å; L582-Y584 HydrophobicContact CD2-CE1 4.42Å; Y584-F594 VanDerWaalsContact OH-CB 3.26Å; Y584-F594 WeakPolarHBondContact OH-CB 3.14Å; Y584-F594 WeakPolarHBondContact OH-CD2 3.11Å; Y584-P610 HydrophobicContact CD1-CB 3.71Å; Y584-P610 HydrophobicContact CD1-CG 4.14Å; Y584-P610 HydrophobicContact CD2-CB 3.84Å; Y584-P610 HydrophobicContact CD2-CG 4.32Å; Y584-P610 HydrophobicContact CE1-CB 4.15Å; Y584-P610 HydrophobicContact CE1-CG 4.06Å; Y584-P610 HydrophobicContact CE2-CB 4.19Å; Y584-P610 HydrophobicContact CE2-CG 4.15Å; Y584-P610 HydrophobicContact CG-CB 3.59Å; Y584-P610 HydrophobicContact CG-CG 4.31Å; Y584-K611 WeakPolarHBondContact CB-O 3.42Å; Y584-G613 PolarHBondContact O-N 3.3Å; Y584-R614 HydrophobicContact CD2-CB 4.29Å; Y584-R614 HydrophobicContact CD2-CG 4.16Å; Y584-R614 WeakPolarHBondContact CD2-O 3.45Å; Y584-R614 PolarHBondContact N-O 2.8Å; Y584-V616 HydrophobicContact CE2-CG2 3.8Å; Y584-R636 VanDerWaalsContact CZ-NH2 3.33Å; Y584-R636 PolarHBondContact OH-NH2 3Å; Y584-A638 HydrophobicContact CD1-CB 3.77Å; Y584-A638 HydrophobicContact CE1-CB 3.98Å
585	L	97.7	Very high	93.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.142	C	C	.	.			trans	-98.1	-19.7	-178.5	-56.7	-175.9	0	0	0	112.6	I445 C450 L453 L533 C637 V639	I445-L585 HydrophobicContact CD1-CD2 3.71Å; C450-L585 WeakPolarHBondContact CB-O 3.35Å; L453-L585 HydrophobicContact CB-CD1 3.85Å; L453-L585 HydrophobicContact CB-CD2 4.12Å; L453-L585 HydrophobicContact CD1-CD2 3.9Å; L533-L585 HydrophobicContact CD1-CD1 3.53Å; L585-C637 HydrophobicContact CB-CB 4.2Å; L585-C637 HydrophobicContact CD1-CB 4.2Å; L585-C637 PolarHBondContact N-O 3.3Å; L585-V639 HydrophobicContact CD2-CG2 4.38Å
586	N	96.6	Very high	94.8	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	13%	0.128	C	C	.	.			trans	-155.1	174.9	-176.3	76.1	-49	0	0	0	112.4	D588 K611 Q635 C637	N586-D588 VanDerWaalsContact CB-OD1 3.26Å; N586-D588 WeakPolarHBondContact CB-OD1 3.32Å; N586-D588 PolarHBondContact ND2-OD1 3.22Å; N586-K611 CarbonylContact O-C 3.53Å; N586-K611 WeakPolarHBondContact O-CA 3.43Å; N586-Q635 PolarHBondContact ND2-O 3.47Å; N586-C637 PolarHBondContact OD1-N 3.39Å; N586-C637 PolarHBondContact OD1-O 3.25Å
587	G	94	Very high	95.7	Very high	32 Å²	32	21.4 Å²	21.4	33%	0.33	12%	0.118	S	C	.	.			trans	-153.3	11.5	-178.8	0	0	0	0	0	113.7	F589	G587-F589 PolarHBondContact O-N 3.15Å
588	D	93.6	Very high	95.9	Very high	111 Å²	111	25.2 Å²	25.2	59%	0.594	14%	0.136	S	C	*	.			trans	-86.6	53.3	177.1	54.5	-33	0	0	0	111.2	R454 N586	R454-D588 IonicContact NH1-OD1 3.19Å; R454-D588 IonicContact NH1-OD2 2.81Å; N586-D588 VanDerWaalsContact CB-OD1 3.26Å; N586-D588 WeakPolarHBondContact CB-OD1 3.32Å; N586-D588 PolarHBondContact ND2-OD1 3.22Å
589	F	94.2	Very high	95.7	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.057	14%	0.135	C	C	.	.	S	Bend	trans	-149.1	164	176.9	61.3	-95.7	0	0	0	110.5	G587 G591 P610 V631 S633 Q635 R636	G587-F589 PolarHBondContact O-N 3.15Å; F589-G591 VanDerWaalsContact CE2-O 3.32Å; F589-G591 WeakPolarHBondContact CE2-O 3.39Å; F589-P610 HydrophobicContact CE1-CB 4.22Å; F589-P610 HydrophobicContact CE2-CG 4.3Å; F589-P610 HydrophobicContact CZ-CB 3.57Å; F589-P610 HydrophobicContact CZ-CG 3.73Å; F589-V631 HydrophobicContact CD2-CG1 4.32Å; F589-S633 WeakPolarHBondContact CA-O 3.2Å; F589-S633 VanDerWaalsContact CB-O 3.22Å; F589-S633 WeakPolarHBondContact CB-O 3.3Å; F589-Q635 WeakPolarHBondContact CD1-O 3.46Å; F589-R636 HydrophobicContact CD1-CB 4.01Å; F589-R636 HydrophobicContact CD2-CB 4.17Å; F589-R636 HydrophobicContact CE1-CB 3.7Å; F589-R636 HydrophobicContact CE1-CG 3.76Å; F589-R636 HydrophobicContact CE2-CB 3.89Å; F589-R636 HydrophobicContact CE2-CG 3.95Å; F589-R636 HydrophobicContact CG-CB 4.21Å; F589-R636 HydrophobicContact CZ-CB 3.62Å; F589-R636 HydrophobicContact CZ-CG 3.39Å
590	E	92.9	Very high	95.1	Very high	116 Å²	116	26.7 Å²	26.7	54%	0.542	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.6	177.8	-63.7	-62.3	152	0	0	111.3	V631 T632 S633	E590-V631 CarbonylContact O-C 3.31Å; E590-T632 WeakPolarHBondContact CB-OG1 3.45Å; E590-T632 PolarHBondContact O-N 3.18Å; E590-T632 PolarHBondContact O-OG1 3.38Å; E590-S633 PolarHBondContact N-O 3.26Å
591	G	92.3	Very high	94.6	Very high	16 Å²	16	28 Å²	28	17%	0.165	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.2	-144.8	-172.1	0	0	0	0	0	113.1	F589 E593 A630	F589-G591 VanDerWaalsContact CE2-O 3.32Å; F589-G591 WeakPolarHBondContact CE2-O 3.39Å; G591-E593 VanDerWaalsContact C-N 3.27Å; G591-E593 WeakPolarHBondContact CA-OE2 3.11Å; G591-E593 PolarHBondContact O-N 3.03Å; G591-A630 CarbonylContact C-O 3.59Å; G591-A630 WeakPolarHBondContact CA-O 3.36Å
592	G	93.9	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.			trans	69.1	16.3	172.6	0	0	0	0	0	115.8	P610 K629 A630 R636	G592-P610 WeakPolarHBondContact O-CG 3.22Å; G592-K629 VanDerWaalsContact CA-O 3.28Å; G592-K629 WeakPolarHBondContact CA-O 3.46Å; G592-A630 PolarHBondContact N-O 3.22Å; G592-R636 PolarHBondContact O-NE 2.71Å
593	E	96.6	Very high	93.7	Very high	47 Å²	47	38.1 Å²	38.1	22%	0.22	20%	0.204	C	C	.	.			trans	-64.4	138.1	178.4	-61.4	87.2	167.6	0	0	111.7	G591 V628 K629	G591-E593 VanDerWaalsContact C-N 3.27Å; G591-E593 WeakPolarHBondContact CA-OE2 3.11Å; G591-E593 PolarHBondContact O-N 3.03Å; E593-V628 CarbonylContact O-C 3.54Å; E593-V628 WeakPolarHBondContact O-CA 3.07Å; E593-K629 HydrophobicContact CB-CD 4.25Å; E593-K629 HydrophobicContact CB-CG 4.46Å; E593-K629 PolarHBondContact O-N 3.2Å
594	F	97.6	Very high	93.5	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.4	171.2	-177.4	-79.8	0	0	0	109.2	L582 Y584 F596 S607 I608 V616 F618 H626 V628	L582-F594 HydrophobicContact CD1-CE2 4.02Å; L582-F594 HydrophobicContact CD2-CD2 4.18Å; L582-F594 HydrophobicContact CD2-CE2 4.22Å; Y584-F594 VanDerWaalsContact OH-CB 3.26Å; Y584-F594 WeakPolarHBondContact OH-CB 3.14Å; Y584-F594 WeakPolarHBondContact OH-CD2 3.11Å; F594-F596 HydrophobicContact CD1-CD2 4.43Å; F594-F596 HydrophobicContact CD1-CE2 4.24Å; F594-F596 HydrophobicContact CE1-CD1 4.09Å; F594-F596 AromaticContact CE1-CD2 3.97Å; F594-F596 HydrophobicContact CE1-CD2 3.97Å; F594-F596 AromaticContact CE1-CE1 3.76Å; F594-F596 HydrophobicContact CE1-CE1 3.76Å; F594-F596 AromaticContact CE1-CE2 3.64Å; F594-F596 HydrophobicContact CE1-CE2 3.64Å; F594-F596 HydrophobicContact CE1-CG 4.2Å; F594-F596 AromaticContact CE1-CZ 3.53Å; F594-F596 HydrophobicContact CE1-CZ 3.53Å; F594-F596 HydrophobicContact CZ-CE1 4.18Å; F594-F596 HydrophobicContact CZ-CZ 4.18Å; F594-S607 CarbonylContact O-C 3.53Å; F594-S607 WeakPolarHBondContact O-CA 3.41Å; F594-I608 HydrophobicContact CB-CB 4.39Å; F594-I608 HydrophobicContact CD1-CD1 4.09Å; F594-I608 PolarHBondContact N-O 3.41Å; F594-I608 PolarHBondContact O-N 3.26Å; F594-V616 HydrophobicContact CD1-CG1 4.42Å; F594-V616 HydrophobicContact CE1-CG1 4.15Å; F594-F618 HydrophobicContact CE2-CE1 4.38Å; F594-F618 AromaticContact CZ-CE1 3.74Å; F594-F618 HydrophobicContact CZ-CE1 3.74Å; F594-F618 AromaticContact CZ-CZ 3.95Å; F594-F618 HydrophobicContact CZ-CZ 3.95Å; F594-H626 HydrophobicContact CE1-CB 3.88Å; F594-H626 HydrophobicContact CE2-CB 4.32Å; F594-H626 AromaticContact CE2-CD2 3.57Å; F594-H626 HydrophobicContact CZ-CB 3.54Å; F594-H626 AromaticContact CZ-CD2 3.45Å; F594-H626 VanDerWaalsContact CZ-CD2 3.45Å; F594-H626 WeakPolarHBondContact CZ-CD2 3.24Å; F594-H626 AromaticContact CZ-CG 3.59Å; F594-V628 HydrophobicContact CD2-CG2 4.14Å
595	I	97.9	Very high	93.4	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.5	-177.5	55.3	174.1	0	0	0	110.7	L549 I553 V604 A606 H626 G627 K629	L549-I595 HydrophobicContact CD2-CD1 4Å; I553-I595 HydrophobicContact CD1-CD1 3.74Å; I553-I595 HydrophobicContact CD1-CG1 4Å; I595-V604 HydrophobicContact CB-CG1 4.21Å; I595-V604 HydrophobicContact CD1-CG2 4.3Å; I595-V604 HydrophobicContact CG2-CG1 4.21Å; I595-A606 VanDerWaalsContact CA-O 3.32Å; I595-A606 WeakPolarHBondContact CA-O 3.3Å; I595-H626 CarbonylContact O-C 3.55Å; I595-H626 WeakPolarHBondContact O-CA 3.5Å; I595-H626 VanDerWaalsContact O-CB 3.25Å; I595-H626 WeakPolarHBondContact O-CB 3.37Å; I595-G627 WeakPolarHBondContact CG1-O 3.37Å; I595-G627 PolarHBondContact N-O 2.94Å; I595-G627 PolarHBondContact O-N 3.19Å; I595-K629 HydrophobicContact CD1-CG 4.44Å; I595-K629 HydrophobicContact CG2-CG 4.28Å
596	F	98.1	Very high	93.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.2	163	-71.1	-74.7	0	0	0	109.1	R438 F594 V604 T605 A606 I608 V616 F618 N624 P625 H626	R438-F596 HydrophobicContact CG-CE1 4.36Å; R438-F596 HydrophobicContact CG-CE2 4.46Å; R438-F596 HydrophobicContact CG-CZ 4.14Å; F594-F596 HydrophobicContact CD1-CD2 4.43Å; F594-F596 HydrophobicContact CD1-CE2 4.24Å; F594-F596 HydrophobicContact CE1-CD1 4.09Å; F594-F596 AromaticContact CE1-CD2 3.97Å; F594-F596 HydrophobicContact CE1-CD2 3.97Å; F594-F596 AromaticContact CE1-CE1 3.76Å; F594-F596 HydrophobicContact CE1-CE1 3.76Å; F594-F596 AromaticContact CE1-CE2 3.64Å; F594-F596 HydrophobicContact CE1-CE2 3.64Å; F594-F596 HydrophobicContact CE1-CG 4.2Å; F594-F596 AromaticContact CE1-CZ 3.53Å; F594-F596 HydrophobicContact CE1-CZ 3.53Å; F594-F596 HydrophobicContact CZ-CE1 4.18Å; F594-F596 HydrophobicContact CZ-CZ 4.18Å; F596-V604 CarbonylContact O-C 3.57Å; F596-V604 WeakPolarHBondContact O-CA 3.15Å; F596-T605 WeakPolarHBondContact CB-OG1 3.44Å; F596-T605 PolarHBondContact O-N 2.89Å; F596-T605 PolarHBondContact O-OG1 2.66Å; F596-A606 HydrophobicContact CB-CB 4.39Å; F596-A606 HydrophobicContact CD2-CB 4.18Å; F596-A606 PolarHBondContact N-O 3.07Å; F596-A606 PolarHBondContact O-N 3.15Å; F596-I608 HydrophobicContact CD2-CD1 4.15Å; F596-I608 HydrophobicContact CE2-CD1 3.75Å; F596-V616 HydrophobicContact CE2-CG1 3.99Å; F596-V616 HydrophobicContact CZ-CG1 3.89Å; F596-F618 HydrophobicContact CE1-CB 4.16Å; F596-F618 HydrophobicContact CE1-CD1 4.07Å; F596-F618 HydrophobicContact CE1-CD2 4.09Å; F596-F618 AromaticContact CE1-CG 3.84Å; F596-F618 HydrophobicContact CE1-CG 3.84Å; F596-F618 HydrophobicContact CZ-CB 4.06Å; F596-F618 AromaticContact CZ-CD1 3.81Å; F596-F618 HydrophobicContact CZ-CD1 3.81Å; F596-F618 HydrophobicContact CZ-CE1 4.44Å; F596-F618 AromaticContact CZ-CG 3.91Å; F596-F618 HydrophobicContact CZ-CG 3.91Å; F596-N624 HydrophobicContact CD1-CB 4.4Å; F596-N624 HydrophobicContact CE1-CB 4.16Å; F596-P625 CarbonylContact C-O 3.57Å; F596-P625 WeakPolarHBondContact CA-O 3.44Å; F596-H626 HydrophobicContact CD1-CB 3.86Å; F596-H626 HydrophobicContact CE1-CB 4.18Å
597	T	95.7	Very high	93.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	169.7	175.3	67.3	0	0	0	0	111.1	I553 T603 V604 P625	I553-T597 HydrophobicContact CD1-CG2 3.72Å; I553-T597 HydrophobicContact CG1-CG2 4.2Å; I553-T597 HydrophobicContact CG2-CG2 4.33Å; I553-T597 WeakPolarHBondContact CG2-OG1 3.26Å; T597-T603 CarbonylContact C-O 3.52Å; T597-T603 WeakPolarHBondContact CA-O 3.38Å; T597-T603 WeakPolarHBondContact CB-O 3.46Å; T597-V604 HydrophobicContact CG2-CG2 4.31Å; T597-P625 PolarHBondContact N-O 2.99Å; T597-P625 WeakPolarHBondContact OG1-CB 3.35Å
598	E	92.1	Very high	93.5	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	24%	0.241	S	C	.	.			trans	-69.8	174.5	158.6	-63.4	-63.1	161.6	0	0	110.3	D600 A601 T603 T605	E598-D600 PolarHBondContact O-N 3.17Å; E598-A601 PolarHBondContact O-N 3.46Å; E598-A601 VanDerWaalsContact O-N 3.16Å; E598-T603 HydrophobicContact CG-CG2 4.05Å; E598-T603 PolarHBondContact N-O 2.71Å; E598-T605 HydrophobicContact CG-CG2 3.71Å; E598-T605 WeakPolarHBondContact OE1-CG2 3.48Å
599	M	87.4	Confident	93.7	Very high	45 Å²	45	44.9 Å²	44.9	22%	0.222	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.8	177	-71.2	-177.3	88.6	0	0	113.3	L560 P562 N565 C567 A601 G622 P625	L560-M599 HydrophobicContact CD1-CB 4.36Å; L560-M599 HydrophobicContact CD1-CG 4.47Å; P562-M599 WeakPolarHBondContact CA-O 3.21Å; N565-M599 WeakPolarHBondContact O-CE 3.28Å; N565-M599 WeakPolarHBondContact OD1-CB 3.32Å; C567-M599 HydrophobicContact CB-CE 3.72Å; M599-A601 PolarHBondContact O-N 2.99Å; M599-A601 VanDerWaalsContact O-N 3.16Å; M599-G622 VanDerWaalsContact CG-O 3.22Å; M599-G622 WeakPolarHBondContact CG-O 3.49Å; M599-P625 HydrophobicContact CG-CG 4.25Å
600	D	84.6	Confident	93.8	Very high	43 Å²	43	44.4 Å²	44.4	23%	0.23	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.7	173.8	73.5	3.8	0	0	0	114.6	E598 K602 T603	E598-D600 PolarHBondContact O-N 3.17Å; D600-K602 WeakPolarHBondContact O-CG 3.2Å; D600-K602 PolarHBondContact O-N 2.76Å; D600-K602 PolarHBondContact OD1-N 3.2Å; D600-T603 PolarHBondContact OD1-N 3.04Å; D600-T603 WeakPolarHBondContact OD2-CB 3.41Å; D600-T603 PolarHBondContact OD2-OG1 2.64Å
601	A	87.4	Confident	94	Very high	27 Å²	27	42.5 Å²	42.5	22%	0.223	23%	0.226	C	C	.	.	S	Bend	trans	53.1	15	-177.1	0	0	0	0	0	115.5	I553 L560 P562 E598 M599	I553-A601 HydrophobicContact CB-CB 4.08Å; I553-A601 HydrophobicContact CG2-CB 3.75Å; L560-A601 HydrophobicContact CD2-CB 4.19Å; P562-A601 HydrophobicContact CB-CB 4.03Å; P562-A601 HydrophobicContact CG-CB 3.7Å; E598-A601 PolarHBondContact O-N 3.46Å; E598-A601 VanDerWaalsContact O-N 3.16Å; M599-A601 PolarHBondContact O-N 2.99Å; M599-A601 VanDerWaalsContact O-N 3.16Å
602	K	86.9	Confident	94.3	Very high	162 Å²	162	42.4 Å²	42.4	70%	0.704	22%	0.222	S	C	*	.	S	Bend	trans	-121.9	-42.5	-174.5	-71.4	166.9	-171.4	166.6	0	111.4	D600 V604	D600-K602 WeakPolarHBondContact O-CG 3.2Å; D600-K602 PolarHBondContact O-N 2.76Å; D600-K602 PolarHBondContact OD1-N 3.2Å; K602-V604 PolarHBondContact O-N 3.46Å
603	T	90.9	Very high	94.5	Very high	72 Å²	72	42.4 Å²	42.4	44%	0.442	22%	0.222	S	C	.	.	S	Bend	trans	-82.6	103.1	-175.2	-59.4	0	0	0	0	109.9	T597 E598 D600 T605	T597-T603 CarbonylContact C-O 3.52Å; T597-T603 WeakPolarHBondContact CA-O 3.38Å; T597-T603 WeakPolarHBondContact CB-O 3.46Å; E598-T603 HydrophobicContact CG-CG2 4.05Å; E598-T603 PolarHBondContact N-O 2.71Å; D600-T603 PolarHBondContact OD1-N 3.04Å; D600-T603 WeakPolarHBondContact OD2-CB 3.41Å; D600-T603 PolarHBondContact OD2-OG1 2.64Å; T603-T605 PolarHBondContact O-N 2.99Å
604	V	95.3	Very high	94.6	Very high	75 Å²	75	41.8 Å²	41.8	46%	0.455	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.4	177.5	178.6	0	0	0	0	110.3	I595 F596 T597 K602	I595-V604 HydrophobicContact CB-CG1 4.21Å; I595-V604 HydrophobicContact CD1-CG2 4.3Å; I595-V604 HydrophobicContact CG2-CG1 4.21Å; F596-V604 CarbonylContact O-C 3.57Å; F596-V604 WeakPolarHBondContact O-CA 3.15Å; T597-V604 HydrophobicContact CG2-CG2 4.31Å; K602-V604 PolarHBondContact O-N 3.46Å
605	T	94.9	Very high	94.6	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-32.7	-178.5	53.8	0	0	0	0	112.6	N434 R438 F596 E598 T603	N434-T605 PolarHBondContact ND2-O 3.23Å; R438-T605 PolarHBondContact NH1-OG1 3.06Å; R438-T605 VanDerWaalsContact NH1-OG1 3.09Å; F596-T605 WeakPolarHBondContact CB-OG1 3.44Å; F596-T605 PolarHBondContact O-N 2.89Å; F596-T605 PolarHBondContact O-OG1 2.66Å; E598-T605 HydrophobicContact CG-CG2 3.71Å; E598-T605 WeakPolarHBondContact OE1-CG2 3.48Å; T603-T605 PolarHBondContact O-N 2.99Å
606	A	96.9	Very high	94.7	Very high	14 Å²	14	41.4 Å²	41.4	12%	0.116	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151	175.8	0	0	0	0	0	111.6	L433 I595 F596	L433-A606 HydrophobicContact CB-CB 4.44Å; L433-A606 HydrophobicContact CD2-CB 3.95Å; I595-A606 VanDerWaalsContact CA-O 3.32Å; I595-A606 WeakPolarHBondContact CA-O 3.3Å; F596-A606 HydrophobicContact CB-CB 4.39Å; F596-A606 HydrophobicContact CD2-CB 4.18Å; F596-A606 PolarHBondContact N-O 3.07Å; F596-A606 PolarHBondContact O-N 3.15Å
607	S	97.1	Very high	94.7	Very high	66 Å²	66	41.4 Å²	41.4	46%	0.462	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.2	177.8	-175.8	0	0	0	0	110	F594	F594-S607 CarbonylContact O-C 3.53Å; F594-S607 WeakPolarHBondContact O-CA 3.41Å
608	I	97.7	Very high	94.8	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.1	-171.5	-64.5	156.7	0	0	0	109	L433 L440 F594 F596 P610 V616	L433-I608 HydrophobicContact CD2-CD1 4.07Å; L433-I608 HydrophobicContact CD2-CG1 4.25Å; L440-I608 HydrophobicContact CD1-CD1 4.3Å; L440-I608 HydrophobicContact CD1-CG1 4.39Å; L440-I608 HydrophobicContact CD1-CG2 3.62Å; L440-I608 HydrophobicContact CD2-CG2 4.36Å; F594-I608 HydrophobicContact CB-CB 4.39Å; F594-I608 HydrophobicContact CD1-CD1 4.09Å; F594-I608 PolarHBondContact N-O 3.41Å; F594-I608 PolarHBondContact O-N 3.26Å; F596-I608 HydrophobicContact CD2-CD1 4.15Å; F596-I608 HydrophobicContact CE2-CD1 3.75Å; I608-P610 WeakPolarHBondContact O-CD 3.39Å; I608-V616 HydrophobicContact CD1-CG1 3.92Å; I608-V616 HydrophobicContact CD1-CG2 3.98Å; I608-V616 HydrophobicContact CG2-CG2 3.97Å
609	K	96.8	Very high	95	Very high	117 Å²	117	36.9 Å²	36.9	51%	0.509	20%	0.195	S	C	.	.			trans	-80.2	122.7	172.6	-171.8	166.9	-177	167.3	0	110.4	R614	K609-R614 WeakPolarHBondContact O-CD 3.34Å; K609-R614 PolarHBondContact O-NH1 3.08Å
610	P	97.3	Very high	95.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.019	19%	0.185	C	C	.	.			trans	-63.4	148	174.7	-26.7	39	0	0	0	112.9	Y584 F589 G592 I608	Y584-P610 HydrophobicContact CD1-CB 3.71Å; Y584-P610 HydrophobicContact CD1-CG 4.14Å; Y584-P610 HydrophobicContact CD2-CB 3.84Å; Y584-P610 HydrophobicContact CD2-CG 4.32Å; Y584-P610 HydrophobicContact CE1-CB 4.15Å; Y584-P610 HydrophobicContact CE1-CG 4.06Å; Y584-P610 HydrophobicContact CE2-CB 4.19Å; Y584-P610 HydrophobicContact CE2-CG 4.15Å; Y584-P610 HydrophobicContact CG-CB 3.59Å; Y584-P610 HydrophobicContact CG-CG 4.31Å; F589-P610 HydrophobicContact CE1-CB 4.22Å; F589-P610 HydrophobicContact CE2-CG 4.3Å; F589-P610 HydrophobicContact CZ-CB 3.57Å; F589-P610 HydrophobicContact CZ-CG 3.73Å; G592-P610 WeakPolarHBondContact O-CG 3.22Å; I608-P610 WeakPolarHBondContact O-CD 3.39Å
611	K	97	Very high	95.7	Very high	77 Å²	77	32.8 Å²	32.8	34%	0.335	17%	0.174	S	C	.	.			trans	-159.9	162.7	168.9	65	176.7	-166.9	179.6	0	109.4	D442 Y584 N586 G613 R614	D442-K611 VanDerWaalsContact CG-NZ 3.35Å; D442-K611 WeakPolarHBondContact OD1-CE 3.38Å; D442-K611 IonicContact OD1-NZ 2.67Å; D442-K611 WeakPolarHBondContact OD2-CE 3.45Å; D442-K611 IonicContact OD2-NZ 2.93Å; D442-K611 PolarHBondContact OD2-NZ 3.34Å; Y584-K611 WeakPolarHBondContact CB-O 3.42Å; N586-K611 CarbonylContact O-C 3.53Å; N586-K611 WeakPolarHBondContact O-CA 3.43Å; K611-G613 PolarHBondContact O-N 3.39Å; K611-R614 VanDerWaalsContact CE-CZ 3.5Å; K611-R614 VanDerWaalsContact CE-NH2 3.26Å; K611-R614 HydrophobicContact CG-CB 3.76Å; K611-R614 WeakPolarHBondContact O-CB 3.41Å; K611-R614 PolarHBondContact O-N 2.91Å
612	C	97.9	Very high	95.8	Very high	13 Å²	13	32 Å²	32	9%	0.088	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	135.5	176.7	165.5	0	0	0	0	111.9	E447 C450 R614	E447-C612 VanDerWaalsContact CD-SG 3.53Å; E447-C612 WeakPolarHBondContact OE2-CB 3.27Å; E447-C612 PolarHBondContact OE2-SG 2.88Å; E447-C612 VanDerWaalsContact OE2-SG 3.41Å; C450-C612 HydrophobicContact CB-CB 3.9Å; C450-C612 WeakPolarHBondContact CB-SG 3.46Å; C450-C612 VanDerWaalsContact SG-CA 3.53Å; C450-C612 WeakPolarHBondContact SG-CB 3.21Å; C450-C612 CovalentContact SG-SG 2.03Å; C450-C612 PolarHBondContact SG-SG 3.44Å; C612-R614 PolarHBondContact O-N 3.03Å
613	G	97.9	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	5.7	173.9	0	0	0	0	0	114.9	D442 H443 V444 C450 Y584 K611	D442-G613 CarbonylContact C-O 3.51Å; H443-G613 PolarHBondContact N-O 2.82Å; H443-G613 VanDerWaalsContact N-O 3.07Å; V444-G613 PolarHBondContact N-O 2.65Å; C450-G613 PolarHBondContact SG-N 2.88Å; C450-G613 VanDerWaalsContact SG-N 3.38Å; Y584-G613 PolarHBondContact O-N 3.3Å; K611-G613 PolarHBondContact O-N 3.39Å
614	R	98.6	Very high	96.4	Very high	34 Å²	34	24.7 Å²	24.7	13%	0.128	13%	0.132	C	C	.	.			trans	-85.6	124.2	175.6	175.6	165.2	-78.4	-174	-6.7	110.8	L440 L441 D442 Y584 K609 K611 C612	L440-R614 HydrophobicContact CD1-CG 3.73Å; L441-R614 CarbonylContact O-C 3.58Å; L441-R614 WeakPolarHBondContact O-CA 3.24Å; D442-R614 WeakPolarHBondContact OD1-CB 3.46Å; D442-R614 WeakPolarHBondContact OD1-CG 3.25Å; D442-R614 IonicContact OD1-CZ 2.88Å; D442-R614 IonicContact OD1-NE 3.42Å; D442-R614 PolarHBondContact OD1-NE 2.74Å; D442-R614 IonicContact OD1-NH2 3.07Å; D442-R614 PolarHBondContact OD1-NH2 2.74Å; D442-R614 IonicContact OD2-CZ 3.91Å; D442-R614 IonicContact OD2-NE 2.98Å; D442-R614 IonicContact OD2-NH2 3.91Å; D442-R614 PolarHBondContact OD2-NH2 2.83Å; Y584-R614 HydrophobicContact CD2-CB 4.29Å; Y584-R614 HydrophobicContact CD2-CG 4.16Å; Y584-R614 WeakPolarHBondContact CD2-O 3.45Å; Y584-R614 PolarHBondContact N-O 2.8Å; K609-R614 WeakPolarHBondContact O-CD 3.34Å; K609-R614 PolarHBondContact O-NH1 3.08Å; K611-R614 VanDerWaalsContact CE-CZ 3.5Å; K611-R614 VanDerWaalsContact CE-NH2 3.26Å; K611-R614 HydrophobicContact CG-CB 3.76Å; K611-R614 WeakPolarHBondContact O-CB 3.41Å; K611-R614 PolarHBondContact O-N 2.91Å; C612-R614 PolarHBondContact O-N 3.03Å
615	L	98.6	Very high	96.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.9	178.1	179.7	68.8	0	0	0	110.4	L440 L441 V444 V512 I515 A581 L582 L583	L440-L615 WeakPolarHBondContact CA-O 3.4Å; L441-L615 HydrophobicContact CB-CB 4.36Å; L441-L615 HydrophobicContact CD1-CD2 4.31Å; L441-L615 PolarHBondContact N-O 2.88Å; L441-L615 PolarHBondContact O-N 3.44Å; V444-L615 HydrophobicContact CB-CB 4.44Å; V444-L615 HydrophobicContact CG2-CB 3.69Å; V444-L615 HydrophobicContact CG2-CD2 4.07Å; V512-L615 HydrophobicContact CG1-CD1 3.65Å; V512-L615 HydrophobicContact CG1-CD2 4.03Å; V512-L615 HydrophobicContact CG2-CD1 4.08Å; V512-L615 HydrophobicContact CG2-CD2 4.49Å; I515-L615 HydrophobicContact CG2-CD2 3.98Å; A581-L615 HydrophobicContact CB-CD1 4.02Å; L582-L615 WeakPolarHBondContact O-CA 3.42Å; L583-L615 HydrophobicContact CB-CD1 3.95Å; L583-L615 HydrophobicContact CD1-CB 4.07Å; L583-L615 HydrophobicContact CD1-CD1 4.37Å
616	V	98.5	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123	164.4	-170.2	0	0	0	0	107.2	V439 L440 A581 L582 Y584 F594 F596 I608 F618	V439-V616 WeakPolarHBondContact O-CA 3.37Å; L440-V616 HydrophobicContact CD1-CG2 3.76Å; A581-V616 CarbonylContact C-O 3.53Å; A581-V616 WeakPolarHBondContact CA-O 3.19Å; L582-V616 PolarHBondContact N-O 2.96Å; L582-V616 PolarHBondContact O-N 3.42Å; Y584-V616 HydrophobicContact CE2-CG2 3.8Å; F594-V616 HydrophobicContact CD1-CG1 4.42Å; F594-V616 HydrophobicContact CE1-CG1 4.15Å; F596-V616 HydrophobicContact CE2-CG1 3.99Å; F596-V616 HydrophobicContact CZ-CG1 3.89Å; I608-V616 HydrophobicContact CD1-CG1 3.92Å; I608-V616 HydrophobicContact CD1-CG2 3.98Å; I608-V616 HydrophobicContact CG2-CG2 3.97Å; V616-F618 HydrophobicContact CG1-CD1 4.03Å; V616-F618 HydrophobicContact CG1-CE1 4.38Å
617	G	98.1	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.6	175.3	0	0	0	0	0	110.6	R438 V439 S580	R438-G617 CarbonylContact C-O 3.5Å; R438-G617 WeakPolarHBondContact CA-O 3.41Å; V439-G617 PolarHBondContact N-O 3.21Å; V439-G617 PolarHBondContact O-N 2.88Å; S580-G617 WeakPolarHBondContact O-CA 3.44Å
618	F	98.2	Very high	96.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.8	-177.3	56.4	-81.5	0	0	0	112.4	Q437 R438 Y579 S580 L582 F594 F596 V616 N624 H626	Q437-F618 CarbonylContact O-C 3.47Å; Q437-F618 WeakPolarHBondContact O-CA 3.09Å; R438-F618 HydrophobicContact CG-CB 4.26Å; Y579-F618 WeakPolarHBondContact CA-O 3.34Å; S580-F618 PolarHBondContact N-O 3.25Å; S580-F618 PolarHBondContact O-N 2.91Å; S580-F618 VanDerWaalsContact O-O 3.13Å; L582-F618 HydrophobicContact CD1-CE1 4.04Å; L582-F618 HydrophobicContact CD1-CZ 4.32Å; F594-F618 HydrophobicContact CE2-CE1 4.38Å; F594-F618 AromaticContact CZ-CE1 3.74Å; F594-F618 HydrophobicContact CZ-CE1 3.74Å; F594-F618 AromaticContact CZ-CZ 3.95Å; F594-F618 HydrophobicContact CZ-CZ 3.95Å; F596-F618 HydrophobicContact CE1-CB 4.16Å; F596-F618 HydrophobicContact CE1-CD1 4.07Å; F596-F618 HydrophobicContact CE1-CD2 4.09Å; F596-F618 AromaticContact CE1-CG 3.84Å; F596-F618 HydrophobicContact CE1-CG 3.84Å; F596-F618 HydrophobicContact CZ-CB 4.06Å; F596-F618 AromaticContact CZ-CD1 3.81Å; F596-F618 HydrophobicContact CZ-CD1 3.81Å; F596-F618 HydrophobicContact CZ-CE1 4.44Å; F596-F618 AromaticContact CZ-CG 3.91Å; F596-F618 HydrophobicContact CZ-CG 3.91Å; V616-F618 HydrophobicContact CG1-CD1 4.03Å; V616-F618 HydrophobicContact CG1-CE1 4.38Å; F618-N624 HydrophobicContact CB-CB 4.48Å; F618-N624 HydrophobicContact CD2-CB 3.84Å; F618-H626 AromaticContact CE2-CE1 3.32Å; F618-H626 WeakPolarHBondContact CE2-CE1 3.27Å; F618-H626 AromaticContact CE2-ND1 3.44Å; F618-H626 WeakPolarHBondContact CE2-ND1 3.13Å; F618-H626 AromaticContact CE2-NE2 3.93Å; F618-H626 AromaticContact CZ-CE1 3.52Å; F618-H626 AromaticContact CZ-ND1 3.78Å; F618-H626 AromaticContact CZ-NE2 3.62Å
619	S	97	Very high	96.2	Very high	5 Å²	5	21 Å²	21	4%	0.035	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.5	170.4	56.5	0	0	0	0	111.1	Q437 D578 G621 E623 N624	Q437-S619 VanDerWaalsContact CB-OG 3.28Å; Q437-S619 WeakPolarHBondContact CB-OG 3.34Å; Q437-S619 PolarHBondContact O-N 2.96Å; Q437-S619 VanDerWaalsContact O-N 3.15Å; D578-S619 CarbonylContact O-C 3.59Å; D578-S619 WeakPolarHBondContact O-CA 3.35Å; S619-G621 VanDerWaalsContact C-N 3.25Å; S619-G621 PolarHBondContact O-N 2.75Å; S619-E623 WeakPolarHBondContact CB-OE1 3.38Å; S619-E623 PolarHBondContact OG-OE1 3.38Å; S619-N624 PolarHBondContact N-ND2 3.19Å; S619-N624 WeakPolarHBondContact O-CB 3.48Å; S619-N624 PolarHBondContact O-ND2 3.12Å; S619-N624 PolarHBondContact OG-ND2 3.48Å
620	S	95.5	Very high	96	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.077	C	C	.	.	S	Bend	trans	-78.4	2.1	-166.5	-60.1	0	0	0	0	115.6	D556 N557 D578 Y579 S580	D556-S620 PolarHBondContact N-O 3.31Å; N557-S620 PolarHBondContact N-O 2.84Å; N557-S620 PolarHBondContact OD1-O 3.25Å; D578-S620 PolarHBondContact O-N 3.1Å; Y579-S620 VanDerWaalsContact CA-OG 3.32Å; Y579-S620 WeakPolarHBondContact CA-OG 3.43Å; Y579-S620 PolarHBondContact N-OG 3.28Å; Y579-S620 PolarHBondContact O-OG 3.28Å; S580-S620 PolarHBondContact N-OG 2.89Å; S580-S620 PolarHBondContact OG-OG 3.44Å
621	G	90.5	Very high	95.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	8%	0.076	C	C	.	.	S	Bend	trans	-85.5	-175.7	-170.6	0	0	0	0	0	116.7	N557 S619 E623 N624	N557-G621 VanDerWaalsContact OD1-CA 3.24Å; N557-G621 WeakPolarHBondContact OD1-CA 3.14Å; S619-G621 VanDerWaalsContact C-N 3.25Å; S619-G621 PolarHBondContact O-N 2.75Å; G621-E623 WeakPolarHBondContact CA-OE2 2.81Å; G621-E623 PolarHBondContact N-OE1 2.97Å; G621-E623 PolarHBondContact O-N 3.41Å; G621-E623 VanDerWaalsContact O-N 3.11Å; G621-N624 PolarHBondContact O-N 3.35Å
622	G	90.8	Very high	95.4	Very high	10 Å²	10	14.6 Å²	14.6	10%	0.103	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.9	178.8	0	0	0	0	0	114.2	C558 M599 N624 P625	C558-G622 PolarHBondContact SG-N 2.92Å; C558-G622 VanDerWaalsContact SG-N 3.41Å; M599-G622 VanDerWaalsContact CG-O 3.22Å; M599-G622 WeakPolarHBondContact CG-O 3.49Å; G622-N624 VanDerWaalsContact C-N 3.31Å; G622-P625 VanDerWaalsContact O-CD 3.26Å; G622-P625 WeakPolarHBondContact O-CD 3.3Å; G622-P625 WeakPolarHBondContact O-CG 3.26Å
623	E	92.9	Very high	95.1	Very high	80 Å²	80	17.1 Å²	17.1	37%	0.374	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.5	170	69.3	-77.6	-179	0	0	113.7	R438 S619 G621 P625	R438-E623 PolarHBondContact NH2-O 3.49Å; S619-E623 WeakPolarHBondContact CB-OE1 3.38Å; S619-E623 PolarHBondContact OG-OE1 3.38Å; G621-E623 WeakPolarHBondContact CA-OE2 2.81Å; G621-E623 PolarHBondContact N-OE1 2.97Å; G621-E623 PolarHBondContact O-N 3.41Å; G621-E623 VanDerWaalsContact O-N 3.11Å; E623-P625 VanDerWaalsContact C-CD 3.46Å
624	N	96.6	Very high	94.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.			trans	-128.8	54.9	-179.4	-62.9	-41.9	0	0	0	114.3	T436 R438 F596 F618 S619 G621 G622 H626	T436-N624 PolarHBondContact O-ND2 3.43Å; T436-N624 PolarHBondContact O-OD1 2.91Å; R438-N624 VanDerWaalsContact CG-OD1 3.32Å; R438-N624 WeakPolarHBondContact CG-OD1 3.46Å; R438-N624 PolarHBondContact NE-OD1 3.44Å; R438-N624 PolarHBondContact NH2-OD1 3.28Å; F596-N624 HydrophobicContact CD1-CB 4.4Å; F596-N624 HydrophobicContact CE1-CB 4.16Å; F618-N624 HydrophobicContact CB-CB 4.48Å; F618-N624 HydrophobicContact CD2-CB 3.84Å; S619-N624 PolarHBondContact N-ND2 3.19Å; S619-N624 WeakPolarHBondContact O-CB 3.48Å; S619-N624 PolarHBondContact O-ND2 3.12Å; S619-N624 PolarHBondContact OG-ND2 3.48Å; G621-N624 PolarHBondContact O-N 3.35Å; G622-N624 VanDerWaalsContact C-N 3.31Å; N624-H626 PolarHBondContact O-N 3.31Å; N624-H626 PolarHBondContact O-ND1 2.9Å
625	P	96.4	Very high	94.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	11%	0.112	C	C	.	.			trans	-57.5	135.5	168.1	-22.7	36.6	0	0	0	110.7	I553 H554 L560 F596 T597 M599 G622 E623	I553-P625 HydrophobicContact CG2-CB 4.19Å; H554-P625 WeakPolarHBondContact O-CA 3.37Å; L560-P625 HydrophobicContact CD1-CG 4.07Å; L560-P625 HydrophobicContact CD2-CB 3.88Å; L560-P625 HydrophobicContact CD2-CG 4.31Å; F596-P625 CarbonylContact C-O 3.57Å; F596-P625 WeakPolarHBondContact CA-O 3.44Å; T597-P625 PolarHBondContact N-O 2.99Å; T597-P625 WeakPolarHBondContact OG1-CB 3.35Å; M599-P625 HydrophobicContact CG-CG 4.25Å; G622-P625 VanDerWaalsContact O-CD 3.26Å; G622-P625 WeakPolarHBondContact O-CD 3.3Å; G622-P625 WeakPolarHBondContact O-CG 3.26Å; E623-P625 VanDerWaalsContact C-CD 3.46Å
626	H	97.6	Very high	94.4	Very high	7 Å²	7	19 Å²	19	3%	0.032	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	161.1	-173.4	63.3	-84	0	0	0	113.2	I553 H554 D556 F594 I595 F596 F618 N624	I553-H626 CarbonylContact C-O 3.56Å; I553-H626 VanDerWaalsContact CA-O 3.25Å; I553-H626 WeakPolarHBondContact CA-O 3.08Å; H554-H626 AromaticContact CE1-CD2 3.79Å; H554-H626 AromaticContact CE1-NE2 3.38Å; H554-H626 PolarHBondContact CE1-NE2 2.75Å; H554-H626 PolarHBondContact N-O 2.79Å; H554-H626 PolarHBondContact ND1-O 2.94Å; H554-H626 AromaticContact NE2-NE2 3.59Å; H554-H626 PolarHBondContact O-N 2.85Å; D556-H626 IonicContact OD2-CE1 3.57Å; D556-H626 PolarHBondContact OD2-CE1 3.42Å; D556-H626 IonicContact OD2-NE2 2.84Å; F594-H626 HydrophobicContact CE1-CB 3.88Å; F594-H626 HydrophobicContact CE2-CB 4.32Å; F594-H626 AromaticContact CE2-CD2 3.57Å; F594-H626 HydrophobicContact CZ-CB 3.54Å; F594-H626 AromaticContact CZ-CD2 3.45Å; F594-H626 VanDerWaalsContact CZ-CD2 3.45Å; F594-H626 WeakPolarHBondContact CZ-CD2 3.24Å; F594-H626 AromaticContact CZ-CG 3.59Å; I595-H626 CarbonylContact O-C 3.55Å; I595-H626 WeakPolarHBondContact O-CA 3.5Å; I595-H626 VanDerWaalsContact O-CB 3.25Å; I595-H626 WeakPolarHBondContact O-CB 3.37Å; F596-H626 HydrophobicContact CD1-CB 3.86Å; F596-H626 HydrophobicContact CE1-CB 4.18Å; F618-H626 AromaticContact CE2-CE1 3.32Å; F618-H626 WeakPolarHBondContact CE2-CE1 3.27Å; F618-H626 AromaticContact CE2-ND1 3.44Å; F618-H626 WeakPolarHBondContact CE2-ND1 3.13Å; F618-H626 AromaticContact CE2-NE2 3.93Å; F618-H626 AromaticContact CZ-CE1 3.52Å; F618-H626 AromaticContact CZ-ND1 3.78Å; F618-H626 AromaticContact CZ-NE2 3.62Å; N624-H626 PolarHBondContact O-N 3.31Å; N624-H626 PolarHBondContact O-ND1 2.9Å
627	G	95.6	Very high	94.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	-168.5	172	0	0	0	0	0	112.4	H551 I595	H551-G627 WeakPolarHBondContact O-CA 3.31Å; I595-G627 WeakPolarHBondContact CG1-O 3.37Å; I595-G627 PolarHBondContact N-O 2.94Å; I595-G627 PolarHBondContact O-N 3.19Å
628	V	95.4	Very high	94.2	Very high	9 Å²	9	19 Å²	19	6%	0.055	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.7	-173.6	-174.6	0	0	0	0	109.7	L549 S550 H551 E593 F594	L549-V628 CarbonylContact C-O 3.58Å; L549-V628 VanDerWaalsContact CA-O 3.28Å; L549-V628 WeakPolarHBondContact CA-O 3.3Å; L549-V628 WeakPolarHBondContact CB-O 3.02Å; S550-V628 PolarHBondContact N-O 3.15Å; H551-V628 HydrophobicContact CB-CB 3.82Å; H551-V628 HydrophobicContact CB-CG2 3.87Å; H551-V628 PolarHBondContact N-O 3.28Å; H551-V628 VanDerWaalsContact N-O 3.11Å; H551-V628 PolarHBondContact O-N 3.14Å; E593-V628 CarbonylContact O-C 3.54Å; E593-V628 WeakPolarHBondContact O-CA 3.07Å; F594-V628 HydrophobicContact CD2-CG2 4.14Å
629	K	93.8	Very high	94.2	Very high	83 Å²	83	19.1 Å²	19.1	36%	0.361	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	155.9	174.1	-65.5	-169.5	-178.8	177.6	0	111.6	L549 S550 G592 E593 I595	L549-K629 HydrophobicContact CD2-CG 4.33Å; S550-K629 VanDerWaalsContact CB-O 3.24Å; S550-K629 WeakPolarHBondContact CB-O 3.47Å; G592-K629 VanDerWaalsContact CA-O 3.28Å; G592-K629 WeakPolarHBondContact CA-O 3.46Å; E593-K629 HydrophobicContact CB-CD 4.25Å; E593-K629 HydrophobicContact CB-CG 4.46Å; E593-K629 PolarHBondContact O-N 3.2Å; I595-K629 HydrophobicContact CD1-CG 4.44Å; I595-K629 HydrophobicContact CG2-CG 4.28Å
630	A	91.4	Very high	94.2	Very high	8 Å²	8	19.1 Å²	19.1	7%	0.066	11%	0.114	C	C	.	.			trans	-50	136.2	175.5	0	0	0	0	0	113.6	D548 G591 G592 T632	D548-A630 VanDerWaalsContact O-CB 3.29Å; D548-A630 WeakPolarHBondContact O-CB 3.32Å; D548-A630 PolarHBondContact O-N 3.3Å; D548-A630 VanDerWaalsContact O-N 3.1Å; D548-A630 WeakPolarHBondContact OD1-CB 3.13Å; G591-A630 CarbonylContact C-O 3.59Å; G591-A630 WeakPolarHBondContact CA-O 3.36Å; G592-A630 PolarHBondContact N-O 3.22Å; A630-T632 HydrophobicContact CB-CG2 4.45Å
631	V	92.1	Very high	94.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	101.4	170.1	-178	0	0	0	0	108.6	E478 A538 Q543 R546 F589 E590 R636	E478-V631 PolarHBondContact OE1-N 3.45Å; A538-V631 HydrophobicContact CB-CG1 4.4Å; A538-V631 WeakPolarHBondContact CB-O 3.44Å; Q543-V631 PolarHBondContact OE1-O 3.15Å; R546-V631 VanDerWaalsContact NH2-C 3.29Å; R546-V631 PolarHBondContact NH2-O 2.95Å; F589-V631 HydrophobicContact CD2-CG1 4.32Å; E590-V631 CarbonylContact O-C 3.31Å; V631-R636 HydrophobicContact CG2-CB 4.04Å
632	T	89.8	Confident	94.6	Very high	54 Å²	54	20.4 Å²	20.4	33%	0.331	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-19.7	-169.8	55.3	0	0	0	0	114	Q543 E590 A630	Q543-T632 WeakPolarHBondContact CG-O 3.35Å; E590-T632 WeakPolarHBondContact CB-OG1 3.45Å; E590-T632 PolarHBondContact O-N 3.18Å; E590-T632 PolarHBondContact O-OG1 3.38Å; A630-T632 HydrophobicContact CB-CG2 4.45Å
633	S	91.8	Very high	94.7	Very high	67 Å²	67	19.9 Å²	19.9	47%	0.469	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	144.8	175.8	-175.6	0	0	0	0	110.6	F589 E590	F589-S633 WeakPolarHBondContact CA-O 3.2Å; F589-S633 VanDerWaalsContact CB-O 3.22Å; F589-S633 WeakPolarHBondContact CB-O 3.3Å; E590-S633 PolarHBondContact N-O 3.26Å
634	G	92.4	Very high	94.3	Very high	35 Å²	35	16.1 Å²	16.1	36%	0.361	10%	0.096	S	C	.	.	S	Bend	trans	83.1	-160.4	179.5	0	0	0	0	0	113.7	A538	A538-G634 PolarHBondContact N-O 2.75Å
635	Q	93	Very high	93.6	Very high	29 Å²	29	18.8 Å²	18.8	14%	0.136	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.3	179.8	-178.2	-178.2	57.8	0	0	110	H458 C535 R536 T537 N586 F589	H458-Q635 PolarHBondContact CE1-OE1 3.5Å; H458-Q635 PolarHBondContact NE2-OE1 3.27Å; C535-Q635 HydrophobicContact CB-CG 4.09Å; R536-Q635 CarbonylContact O-C 3.59Å; R536-Q635 VanDerWaalsContact O-CA 3.3Å; R536-Q635 WeakPolarHBondContact O-CA 3.3Å; T537-Q635 HydrophobicContact CG2-CB 4.3Å; T537-Q635 VanDerWaalsContact OG1-CG 3.31Å; T537-Q635 WeakPolarHBondContact OG1-CG 3.37Å; T537-Q635 PolarHBondContact OG1-NE2 2.93Å; N586-Q635 PolarHBondContact ND2-O 3.47Å; F589-Q635 WeakPolarHBondContact CD1-O 3.46Å
636	R	95.3	Very high	92.7	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.038	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.9	176.7	172.7	-179.2	-174	-73.3	14.7	109.8	C535 R536 Y584 F589 G592 V631	C535-R636 CarbonylContact C-O 3.59Å; C535-R636 VanDerWaalsContact CA-O 3.29Å; C535-R636 WeakPolarHBondContact CA-O 3.39Å; R536-R636 PolarHBondContact N-O 3.22Å; R536-R636 PolarHBondContact O-N 2.84Å; Y584-R636 VanDerWaalsContact CZ-NH2 3.33Å; Y584-R636 PolarHBondContact OH-NH2 3Å; F589-R636 HydrophobicContact CD1-CB 4.01Å; F589-R636 HydrophobicContact CD2-CB 4.17Å; F589-R636 HydrophobicContact CE1-CB 3.7Å; F589-R636 HydrophobicContact CE1-CG 3.76Å; F589-R636 HydrophobicContact CE2-CB 3.89Å; F589-R636 HydrophobicContact CE2-CG 3.95Å; F589-R636 HydrophobicContact CG-CB 4.21Å; F589-R636 HydrophobicContact CZ-CB 3.62Å; F589-R636 HydrophobicContact CZ-CG 3.39Å; G592-R636 PolarHBondContact O-NE 2.71Å; V631-R636 HydrophobicContact CG2-CB 4.04Å
637	C	95.8	Very high	91.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.3	177.4	-64.1	0	0	0	0	112.1	V534 C535 L585 N586	V534-C637 CarbonylContact O-C 3.48Å; V534-C637 VanDerWaalsContact O-CA 3.27Å; V534-C637 WeakPolarHBondContact O-CA 3.29Å; C535-C637 HydrophobicContact CB-CB 4.22Å; C535-C637 WeakPolarHBondContact CB-SG 3.4Å; C535-C637 WeakPolarHBondContact SG-CB 3.47Å; C535-C637 CovalentContact SG-SG 2.05Å; C535-C637 PolarHBondContact SG-SG 2.81Å; L585-C637 HydrophobicContact CB-CB 4.2Å; L585-C637 HydrophobicContact CD1-CB 4.2Å; L585-C637 PolarHBondContact N-O 3.3Å; N586-C637 PolarHBondContact OD1-N 3.39Å; N586-C637 PolarHBondContact OD1-O 3.25Å
638	A	97.2	Very high	89.4	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.4	179.8	0	0	0	0	0	111.2	V534 L583 Y584	V534-A638 HydrophobicContact CG1-CB 4.37Å; V534-A638 WeakPolarHBondContact CG1-O 3.5Å; V534-A638 PolarHBondContact N-O 2.94Å; V534-A638 PolarHBondContact O-N 3.15Å; L583-A638 CarbonylContact O-C 3.26Å; L583-A638 WeakPolarHBondContact O-CA 3.43Å; L583-A638 WeakPolarHBondContact O-CB 3.4Å; Y584-A638 HydrophobicContact CD1-CB 3.77Å; Y584-A638 HydrophobicContact CE1-CB 3.98Å
639	V	97.4	Very high	88.1	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.7	161.5	-180	0	0	0	0	107.6	F505 T531 H532 L533 L582 L583 L585 L641	F505-V639 HydrophobicContact CD2-CG2 4.15Å; F505-V639 HydrophobicContact CE2-CB 4.38Å; F505-V639 HydrophobicContact CE2-CG1 3.67Å; F505-V639 HydrophobicContact CE2-CG2 3.79Å; T531-V639 HydrophobicContact CG2-CG1 4.37Å; H532-V639 CarbonylContact O-C 3.56Å; H532-V639 WeakPolarHBondContact O-CA 3.48Å; L533-V639 HydrophobicContact CD1-CG2 3.9Å; L582-V639 WeakPolarHBondContact CA-O 3.48Å; L583-V639 HydrophobicContact CB-CB 4.33Å; L583-V639 PolarHBondContact N-O 2.89Å; L583-V639 PolarHBondContact O-N 3.1Å; L585-V639 HydrophobicContact CD2-CG2 4.38Å; V639-L641 HydrophobicContact CB-CD1 4.39Å; V639-L641 HydrophobicContact CG1-CD1 3.74Å; V639-L641 HydrophobicContact CG1-CD2 4.19Å; V639-L641 HydrophobicContact CG1-CG 3.85Å; V639-L641 WeakPolarHBondContact O-CD1 3.44Å
640	A	96.3	Very high	86.8	Confident	6 Å²	6	37.3 Å²	37.3	5%	0.05	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.7	173.7	0	0	0	0	0	109.5	H532 V534 L582 W642	H532-A640 PolarHBondContact N-O 3.39Å; H532-A640 PolarHBondContact O-N 3.09Å; V534-A640 HydrophobicContact CG1-CB 4.37Å; L582-A640 HydrophobicContact CG-CB 4.47Å; A640-W642 HydrophobicContact CB-CH2 3.59Å; A640-W642 HydrophobicContact CB-CZ2 4.31Å; A640-W642 HydrophobicContact CB-CZ3 3.7Å
641	L	97.4	Very high	86.1	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.4	-177.6	-49.1	102.2	0	0	0	109.5	V512 F528 T531 S580 A581 V639 F643	V512-L641 HydrophobicContact CB-CD1 4.26Å; V512-L641 HydrophobicContact CB-CD2 4.46Å; V512-L641 HydrophobicContact CG1-CD1 3.85Å; V512-L641 HydrophobicContact CG2-CD1 4.43Å; F528-L641 HydrophobicContact CD1-CD2 4.35Å; F528-L641 HydrophobicContact CE1-CD2 3.72Å; T531-L641 HydrophobicContact CG2-CD2 3.97Å; T531-L641 HydrophobicContact CG2-CG 4.33Å; S580-L641 CarbonylContact C-O 3.59Å; S580-L641 WeakPolarHBondContact CA-O 3.17Å; A581-L641 HydrophobicContact CB-CD1 4.3Å; A581-L641 PolarHBondContact N-O 3.21Å; A581-L641 PolarHBondContact O-N 2.9Å; V639-L641 HydrophobicContact CB-CD1 4.39Å; V639-L641 HydrophobicContact CG1-CD1 3.74Å; V639-L641 HydrophobicContact CG1-CD2 4.19Å; V639-L641 HydrophobicContact CG1-CG 3.85Å; V639-L641 WeakPolarHBondContact O-CD1 3.44Å; L641-F643 HydrophobicContact CB-CE1 4.34Å; L641-F643 HydrophobicContact CB-CE2 3.85Å; L641-F643 HydrophobicContact CB-CZ 3.64Å; L641-F643 HydrophobicContact CD2-CZ 4.15Å; L641-F643 HydrophobicContact CG-CZ 4.44Å
642	W	96.9	Very high	84.8	Confident	27 Å²	27	43.5 Å²	43.5	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.8	172.1	-64.4	-88.3	0	0	0	109.6	S529 Y530 H532 D556 R577 S580 A640	S529-W642 PolarHBondContact N-O 3.08Å; Y530-W642 AromaticContact CD1-CE3 3.6Å; Y530-W642 HydrophobicContact CD1-CE3 3.6Å; Y530-W642 HydrophobicContact CD1-CH2 4.35Å; Y530-W642 AromaticContact CD1-CZ3 3.41Å; Y530-W642 HydrophobicContact CD1-CZ3 3.41Å; Y530-W642 VanDerWaalsContact CD1-CZ3 3.41Å; Y530-W642 AromaticContact CE1-CZ3 3.99Å; Y530-W642 HydrophobicContact CE1-CZ3 3.99Å; Y530-W642 HydrophobicContact CG-CE3 4.24Å; Y530-W642 HydrophobicContact CG-CZ3 4.42Å; Y530-W642 PolarHBondContact N-O 2.93Å; Y530-W642 PolarHBondContact O-N 3.42Å; H532-W642 HydrophobicContact CB-CZ3 4.28Å; D556-W642 PolarHBondContact OD1-NE1 3.32Å; D556-W642 PolarHBondContact OD2-NE1 3.47Å; R577-W642 HydrophobicContact CG-CB 4.3Å; R577-W642 VanDerWaalsContact NH1-NE1 3.16Å; S580-W642 VanDerWaalsContact OG-CD1 3.31Å; A640-W642 HydrophobicContact CB-CH2 3.59Å; A640-W642 HydrophobicContact CB-CZ2 4.31Å; A640-W642 HydrophobicContact CB-CZ3 3.7Å
643	F	93.9	Very high	84	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.7	-171.4	-58.4	-72.8	0	0	0	112.9	V512 R513 V516 L526 H527 F528 R577 D578 Y579 A581 L641	V512-F643 HydrophobicContact CG1-CZ 4.45Å; R513-F643 HydrophobicContact CB-CE1 3.7Å; R513-F643 HydrophobicContact CB-CZ 4.03Å; R513-F643 HydrophobicContact CG-CD1 4.09Å; R513-F643 HydrophobicContact CG-CE1 3.6Å; R513-F643 HydrophobicContact CG-CZ 4.31Å; V516-F643 HydrophobicContact CG2-CE2 4.32Å; L526-F643 HydrophobicContact CD1-CB 3.52Å; L526-F643 HydrophobicContact CD1-CG 4.28Å; L526-F643 HydrophobicContact CD2-CB 3.6Å; L526-F643 HydrophobicContact CD2-CD1 3.79Å; L526-F643 HydrophobicContact CD2-CD2 3.64Å; L526-F643 HydrophobicContact CD2-CE1 4.35Å; L526-F643 HydrophobicContact CD2-CE2 4.22Å; L526-F643 HydrophobicContact CD2-CG 3.39Å; L526-F643 HydrophobicContact CG-CB 3.42Å; L526-F643 VanDerWaalsContact CG-CB 3.42Å; L526-F643 HydrophobicContact CG-CD1 3.86Å; L526-F643 HydrophobicContact CG-CD2 4.39Å; L526-F643 HydrophobicContact CG-CG 3.66Å; H527-F643 CarbonylContact O-C 3.52Å; H527-F643 WeakPolarHBondContact O-CA 3.33Å; F528-F643 HydrophobicContact CD1-CD1 4Å; F528-F643 AromaticContact CD1-CE1 3.5Å; F528-F643 HydrophobicContact CD1-CE1 3.5Å; F528-F643 VanDerWaalsContact CD1-CE1 3.5Å; F528-F643 HydrophobicContact CD1-CZ 4.43Å; F528-F643 HydrophobicContact CE1-CD1 4.35Å; F528-F643 AromaticContact CE1-CE1 3.43Å; F528-F643 HydrophobicContact CE1-CE1 3.43Å; F528-F643 VanDerWaalsContact CE1-CE1 3.43Å; F528-F643 HydrophobicContact CE1-CZ 4.15Å; F528-F643 HydrophobicContact CG-CD1 4.49Å; F528-F643 HydrophobicContact CG-CE1 4.32Å; F528-F643 HydrophobicContact CZ-CE1 4.21Å; R577-F643 CarbonylContact C-O 3.45Å; R577-F643 WeakPolarHBondContact CA-O 3.33Å; D578-F643 PolarHBondContact N-O 3.08Å; Y579-F643 PolarHBondContact N-O 3.24Å; Y579-F643 WeakPolarHBondContact O-CA 3.27Å; Y579-F643 WeakPolarHBondContact O-CB 3.38Å; Y579-F643 WeakPolarHBondContact O-CD2 3.26Å; Y579-F643 PolarHBondContact O-N 2.89Å; A581-F643 HydrophobicContact CB-CE2 3.97Å; L641-F643 HydrophobicContact CB-CE1 4.34Å; L641-F643 HydrophobicContact CB-CE2 3.85Å; L641-F643 HydrophobicContact CB-CZ 3.64Å; L641-F643 HydrophobicContact CD2-CZ 4.15Å; L641-F643 HydrophobicContact CG-CZ 4.44Å
644	T	84.4	Confident	83.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.9	174.1	-175.8	0	0	0	0	110.4	H527 Y576 D578 D646	H527-T644 HydrophobicContact CB-CG2 4.14Å; H527-T644 PolarHBondContact N-O 3.42Å; H527-T644 PolarHBondContact O-N 3.13Å; Y576-T644 WeakPolarHBondContact O-CB 3.46Å; Y576-T644 PolarHBondContact O-OG1 3.45Å; D578-T644 WeakPolarHBondContact OD2-CA 3.46Å; T644-D646 VanDerWaalsContact C-N 3.33Å; T644-D646 VanDerWaalsContact CG2-O 3.26Å; T644-D646 WeakPolarHBondContact CG2-O 3.47Å; T644-D646 PolarHBondContact OG1-N 3.2Å; T644-D646 VanDerWaalsContact OG1-N 3.1Å
645	L	82.1	Confident	82.6	Confident	57 Å²	57	43.1 Å²	43.1	30%	0.298	21%	0.209	S	C	.	.	S	Bend	trans	-83.9	-15.1	169.7	-60.3	170.6	0	0	0	111.3	L522 S524 L526 D578 P647	L522-L645 HydrophobicContact CD1-CD2 4.18Å; S524-L645 WeakPolarHBondContact OG-CD2 3.38Å; L526-L645 HydrophobicContact CD1-CD2 3.8Å; L526-L645 HydrophobicContact CD1-CG 4.43Å; D578-L645 HydrophobicContact CB-CD1 4.01Å; D578-L645 HydrophobicContact CB-CG 3.86Å; D578-L645 WeakPolarHBondContact OD2-CB 3.38Å; D578-L645 PolarHBondContact OD2-N 2.66Å; L645-P647 WeakPolarHBondContact O-CD 2.87Å
646	D	76.6	Confident	81.6	Confident	58 Å²	58	45.7 Å²	45.7	31%	0.31	22%	0.221	S	C	.	.			trans	-92.5	113.6	179	-173.9	-13.2	0	0	0	110.8	T644 L648 Y649	T644-D646 VanDerWaalsContact C-N 3.33Å; T644-D646 VanDerWaalsContact CG2-O 3.26Å; T644-D646 WeakPolarHBondContact CG2-O 3.47Å; T644-D646 PolarHBondContact OG1-N 3.2Å; T644-D646 VanDerWaalsContact OG1-N 3.1Å; D646-L648 PolarHBondContact O-N 2.96Å; D646-L648 VanDerWaalsContact OD1-CB 3.3Å; D646-L648 WeakPolarHBondContact OD1-CB 3.31Å; D646-L648 WeakPolarHBondContact OD1-CG 3.45Å; D646-L648 PolarHBondContact OD1-N 2.98Å; D646-Y649 HydrophobicContact CB-CD2 3.92Å; D646-Y649 PolarHBondContact O-N 3.33Å; D646-Y649 VanDerWaalsContact O-N 3.16Å; D646-Y649 WeakPolarHBondContact OD2-CE2 3.49Å
647	P	69.9	Low	80.9	Confident	58 Å²	58	45.2 Å²	45.2	38%	0.377	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-63.8	-10.9	178.9	27	-35.4	0	0	0	114.3	L645 Y649 R650	L645-P647 WeakPolarHBondContact O-CD 2.87Å; P647-Y649 VanDerWaalsContact C-N 3.33Å; P647-R650 WeakPolarHBondContact O-CD 3.41Å; P647-R650 VanDerWaalsContact O-CG 3.26Å; P647-R650 WeakPolarHBondContact O-CG 3.43Å; P647-R650 PolarHBondContact O-NE 2.94Å
648	L	55.7	Low	80.1	Confident	148 Å²	148	47.7 Å²	47.7	78%	0.775	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-73.4	-26.2	175.4	-64.9	177.2	0	0	0	112.7	D646	D646-L648 PolarHBondContact O-N 2.96Å; D646-L648 VanDerWaalsContact OD1-CB 3.3Å; D646-L648 WeakPolarHBondContact OD1-CB 3.31Å; D646-L648 WeakPolarHBondContact OD1-CG 3.45Å; D646-L648 PolarHBondContact OD1-N 2.98Å
649	Y	66.5	Low	79.1	Confident	111 Å²	111	54 Å²	54	44%	0.435	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-100.9	26.6	-177.3	-63.4	-81.8	0	0	0	113.3	Y576 D646 P647	Y576-Y649 VanDerWaalsContact CB-CD2 3.49Å; Y576-Y649 AromaticContact CD1-CD1 3.37Å; Y576-Y649 HydrophobicContact CD1-CD1 3.37Å; Y576-Y649 HydrophobicContact CD1-CD2 4.5Å; Y576-Y649 AromaticContact CD1-CE1 3.64Å; Y576-Y649 HydrophobicContact CD1-CE1 3.64Å; Y576-Y649 AromaticContact CD1-CG 3.84Å; Y576-Y649 HydrophobicContact CD1-CG 3.84Å; Y576-Y649 VanDerWaalsContact CD2-CB 3.41Å; Y576-Y649 HydrophobicContact CD2-CD1 4.02Å; Y576-Y649 AromaticContact CD2-CG 3.77Å; Y576-Y649 HydrophobicContact CD2-CG 3.77Å; Y576-Y649 AromaticContact CE1-CD1 3.73Å; Y576-Y649 HydrophobicContact CE1-CD1 3.73Å; Y576-Y649 HydrophobicContact CE1-CE1 4.16Å; Y576-Y649 HydrophobicContact CE1-CG 4.45Å; Y576-Y649 HydrophobicContact CE2-CD1 4.31Å; Y576-Y649 HydrophobicContact CE2-CG 4.37Å; Y576-Y649 AromaticContact CG-CD1 3.51Å; Y576-Y649 HydrophobicContact CG-CD1 3.51Å; Y576-Y649 AromaticContact CG-CD2 3.98Å; Y576-Y649 HydrophobicContact CG-CD2 3.98Å; Y576-Y649 HydrophobicContact CG-CE1 4.09Å; Y576-Y649 HydrophobicContact CG-CE2 4.5Å; Y576-Y649 AromaticContact CG-CG 3.44Å; Y576-Y649 HydrophobicContact CG-CG 3.44Å; Y576-Y649 VanDerWaalsContact CG-CG 3.44Å; D646-Y649 HydrophobicContact CB-CD2 3.92Å; D646-Y649 PolarHBondContact O-N 3.33Å; D646-Y649 VanDerWaalsContact O-N 3.16Å; D646-Y649 WeakPolarHBondContact OD2-CE2 3.49Å; P647-Y649 VanDerWaalsContact C-N 3.33Å
650	R	67.6	Low	78.3	Confident	114 Å²	114	55.6 Å²	55.6	43%	0.43	27%	0.272	S	S	.	.			trans	-69.2	138.2	177.2	-68.9	-175.5	-69.3	166.2	-1.3	111.3	H527 F528 P647 L652	H527-R650 HydrophobicContact CB-CG 3.61Å; F528-R650 WeakPolarHBondContact O-CA 3.16Å; P647-R650 WeakPolarHBondContact O-CD 3.41Å; P647-R650 VanDerWaalsContact O-CG 3.26Å; P647-R650 WeakPolarHBondContact O-CG 3.43Å; P647-R650 PolarHBondContact O-NE 2.94Å; R650-L652 PolarHBondContact O-N 3.28Å
651	E	76.6	Confident	77.8	Confident	19 Å²	19	55.6 Å²	55.6	9%	0.089	27%	0.271	C	S	.	.			trans	-59.1	117.7	173.5	-175.5	177.8	-157.4	0	0	110.7	F528 S529 Y530 T531 E653 R654 L655	F528-E651 HydrophobicContact CB-CB 4.48Å; F528-E651 PolarHBondContact O-N 2.91Å; S529-E651 WeakPolarHBondContact O-CB 3.48Å; Y530-E651 WeakPolarHBondContact CA-OE2 3.4Å; Y530-E651 VanDerWaalsContact CD2-OE1 3.31Å; Y530-E651 WeakPolarHBondContact CD2-OE1 3.35Å; T531-E651 PolarHBondContact N-OE1 3.36Å; T531-E651 PolarHBondContact N-OE2 2.94Å; T531-E651 PolarHBondContact OG1-OE2 2.63Å; E651-E653 HydrophobicContact CG-CB 4.24Å; E651-E653 PolarHBondContact O-N 2.69Å; E651-R654 HydrophobicContact CB-CB 3.83Å; E651-R654 HydrophobicContact CG-CB 4.03Å; E651-R654 WeakPolarHBondContact O-CB 3.02Å; E651-R654 PolarHBondContact O-N 3.13Å; E651-R654 VanDerWaalsContact O-N 3.15Å; E651-L655 PolarHBondContact O-N 3.47Å
652	L	64.6	Low	77.1	Confident	119 Å²	119	61.8 Å²	61.8	62%	0.623	30%	0.3	S	S	*	.	H	α-helix	trans	-64.6	-40.5	-179.9	-177	64	0	0	0	112.1	R650 R654 L655 Q656	R650-L652 PolarHBondContact O-N 3.28Å; L652-R654 PolarHBondContact O-N 2.83Å; L652-L655 HydrophobicContact CD1-CD1 4.38Å; L652-L655 PolarHBondContact O-N 3.23Å; L652-L655 VanDerWaalsContact O-N 3.14Å; L652-Q656 PolarHBondContact O-N 3.1Å; L652-Q656 VanDerWaalsContact O-N 3.17Å
653	E	73.8	Confident	76.2	Confident	79 Å²	79	62.2 Å²	62.2	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-31.3	175.5	-71.7	-166	-166.4	0	0	111.8	T484 L486 E651 Q656 A657	T484-E653 WeakPolarHBondContact CB-OE2 3.44Å; T484-E653 WeakPolarHBondContact CG2-OE2 3.34Å; T484-E653 PolarHBondContact OG1-OE2 3.11Å; L486-E653 HydrophobicContact CB-CB 4.26Å; L486-E653 HydrophobicContact CD2-CB 4.17Å; L486-E653 HydrophobicContact CD2-CG 4.17Å; E651-E653 HydrophobicContact CG-CB 4.24Å; E651-E653 PolarHBondContact O-N 2.69Å; E653-Q656 PolarHBondContact O-N 2.55Å; E653-A657 WeakPolarHBondContact O-CB 3.29Å; E653-A657 PolarHBondContact O-N 3.39Å
654	R	82.9	Confident	75.7	Confident	8 Å²	8	63.9 Å²	63.9	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-44.1	176.3	-178.4	57.5	179.4	-148.1	-5.5	111.7	S509 E510 F528 E651 L652 Q656 A657 D658	S509-R654 PolarHBondContact OG-NH1 3.39Å; S509-R654 PolarHBondContact OG-NH2 2.99Å; E510-R654 IonicContact OE1-CZ 3.46Å; E510-R654 IonicContact OE1-NH2 2.87Å; E510-R654 PolarHBondContact OE1-NH2 2.83Å; F528-R654 HydrophobicContact CB-CG 4.28Å; F528-R654 HydrophobicContact CD2-CG 3.78Å; F528-R654 HydrophobicContact CE2-CG 4.48Å; F528-R654 HydrophobicContact CG-CG 4.3Å; E651-R654 HydrophobicContact CB-CB 3.83Å; E651-R654 HydrophobicContact CG-CB 4.03Å; E651-R654 WeakPolarHBondContact O-CB 3.02Å; E651-R654 PolarHBondContact O-N 3.13Å; E651-R654 VanDerWaalsContact O-N 3.15Å; L652-R654 PolarHBondContact O-N 2.83Å; R654-Q656 PolarHBondContact O-N 2.81Å; R654-A657 CarbonylContact O-C 3.29Å; R654-A657 WeakPolarHBondContact O-CA 3.35Å; R654-A657 WeakPolarHBondContact O-CB 3.26Å; R654-A657 PolarHBondContact O-N 3.05Å; R654-D658 IonicContact CZ-OD1 3.34Å; R654-D658 IonicContact NE-OD1 3.51Å; R654-D658 PolarHBondContact NE-OD1 2.91Å; R654-D658 VanDerWaalsContact NE-OD1 3.07Å; R654-D658 VanDerWaalsContact O-CG 3.23Å; R654-D658 PolarHBondContact O-N 3.16Å
655	L	70.6	Confident	75.5	Confident	60 Å²	60	67.1 Å²	67.1	31%	0.314	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-40.1	176.5	-63.1	174.8	0	0	0	111.4	E651 L652 D658 E659	E651-L655 PolarHBondContact O-N 3.47Å; L652-L655 HydrophobicContact CD1-CD1 4.38Å; L652-L655 PolarHBondContact O-N 3.23Å; L652-L655 VanDerWaalsContact O-N 3.14Å; L655-D658 WeakPolarHBondContact O-CB 3.42Å; L655-D658 PolarHBondContact O-N 3.35Å; L655-E659 PolarHBondContact O-N 3.4Å; L655-E659 VanDerWaalsContact O-N 3.08Å
656	Q	71.8	Confident	75.2	Confident	83 Å²	83	67.7 Å²	67.7	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-40.8	174.4	-67.1	176	-33.4	0	0	111.9	L486 L652 E653 R654 D658 E659 V660	L486-Q656 HydrophobicContact CD1-CB 3.97Å; L486-Q656 HydrophobicContact CD2-CB 3.92Å; L652-Q656 PolarHBondContact O-N 3.1Å; L652-Q656 VanDerWaalsContact O-N 3.17Å; E653-Q656 PolarHBondContact O-N 2.55Å; R654-Q656 PolarHBondContact O-N 2.81Å; Q656-D658 VanDerWaalsContact C-N 3.33Å; Q656-D658 PolarHBondContact O-N 3.12Å; Q656-E659 PolarHBondContact O-N 3.25Å; Q656-V660 VanDerWaalsContact O-CG2 3.27Å; Q656-V660 WeakPolarHBondContact O-CG2 3.47Å; Q656-V660 PolarHBondContact O-N 3.02Å
657	A	80.8	Confident	74.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-40.3	174.2	0	0	0	0	0	111.8	V485 L486 L489 Y506 E653 R654 E659 V660 I661	V485-A657 HydrophobicContact CG1-CB 4.03Å; L486-A657 HydrophobicContact CB-CB 4.37Å; L486-A657 HydrophobicContact CD1-CB 4.49Å; L489-A657 HydrophobicContact CD1-CB 3.74Å; Y506-A657 HydrophobicContact CD2-CB 4.45Å; E653-A657 WeakPolarHBondContact O-CB 3.29Å; E653-A657 PolarHBondContact O-N 3.39Å; R654-A657 CarbonylContact O-C 3.29Å; R654-A657 WeakPolarHBondContact O-CA 3.35Å; R654-A657 WeakPolarHBondContact O-CB 3.26Å; R654-A657 PolarHBondContact O-N 3.05Å; A657-E659 PolarHBondContact O-N 2.99Å; A657-V660 WeakPolarHBondContact O-CB 3.46Å; A657-V660 PolarHBondContact O-N 3.43Å; A657-I661 WeakPolarHBondContact O-CG1 3.49Å; A657-I661 PolarHBondContact O-N 3.21Å
658	D	79.1	Confident	73.9	Confident	53 Å²	53	71.5 Å²	71.5	28%	0.283	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-43.6	176.3	-61.9	-12.8	0	0	0	111	Y506 R654 L655 Q656 V660 I661 Q662	Y506-D658 VanDerWaalsContact CE2-OD1 3.25Å; Y506-D658 WeakPolarHBondContact CE2-OD1 3.42Å; Y506-D658 PolarHBondContact OH-OD1 3.17Å; Y506-D658 VanDerWaalsContact OH-OD1 3.04Å; R654-D658 IonicContact CZ-OD1 3.34Å; R654-D658 IonicContact NE-OD1 3.51Å; R654-D658 PolarHBondContact NE-OD1 2.91Å; R654-D658 VanDerWaalsContact NE-OD1 3.07Å; R654-D658 VanDerWaalsContact O-CG 3.23Å; R654-D658 PolarHBondContact O-N 3.16Å; L655-D658 WeakPolarHBondContact O-CB 3.42Å; L655-D658 PolarHBondContact O-N 3.35Å; Q656-D658 VanDerWaalsContact C-N 3.33Å; Q656-D658 PolarHBondContact O-N 3.12Å; D658-V660 VanDerWaalsContact C-N 3.34Å; D658-V660 PolarHBondContact O-N 2.97Å; D658-I661 PolarHBondContact O-N 3.31Å; D658-Q662 WeakPolarHBondContact O-CB 3.44Å; D658-Q662 PolarHBondContact O-N 3.27Å
659	E	75.9	Confident	73.5	Confident	131 Å²	131	69.4 Å²	69.4	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-43	174.5	-72.3	178.4	179.6	0	0	111.9	L655 Q656 A657 Q662 A663	L655-E659 PolarHBondContact O-N 3.4Å; L655-E659 VanDerWaalsContact O-N 3.08Å; Q656-E659 PolarHBondContact O-N 3.25Å; A657-E659 PolarHBondContact O-N 2.99Å; E659-Q662 PolarHBondContact O-N 2.96Å; E659-A663 WeakPolarHBondContact O-CB 3.14Å; E659-A663 PolarHBondContact O-N 3.08Å
660	V	80.9	Confident	72.2	Confident	36 Å²	36	73.1 Å²	73.1	22%	0.218	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-43.3	177.4	170.9	0	0	0	0	111.1	L486 L489 Y493 Q656 A657 D658 A663 L664	L486-V660 HydrophobicContact CD1-CG2 4.35Å; L489-V660 HydrophobicContact CB-CG1 4.17Å; L489-V660 HydrophobicContact CD1-CB 4.48Å; L489-V660 HydrophobicContact CD1-CG1 4.24Å; Y493-V660 HydrophobicContact CD2-CG1 4.2Å; Y493-V660 HydrophobicContact CE2-CG1 3.32Å; Q656-V660 VanDerWaalsContact O-CG2 3.27Å; Q656-V660 WeakPolarHBondContact O-CG2 3.47Å; Q656-V660 PolarHBondContact O-N 3.02Å; A657-V660 WeakPolarHBondContact O-CB 3.46Å; A657-V660 PolarHBondContact O-N 3.43Å; D658-V660 VanDerWaalsContact C-N 3.34Å; D658-V660 PolarHBondContact O-N 2.97Å; V660-A663 PolarHBondContact O-N 3.26Å; V660-L664 WeakPolarHBondContact O-CG 3.47Å; V660-L664 PolarHBondContact O-N 3.34Å; V660-L664 VanDerWaalsContact O-N 3.09Å
661	I	86.9	Confident	70.9	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-65.2	-43.2	175.6	-69.6	-54.6	0	0	0	111.3	L489 R503 Y506 A657 D658 A663 L664 D665	L489-I661 HydrophobicContact CD1-CD1 4.09Å; L489-I661 HydrophobicContact CD1-CG1 4.15Å; L489-I661 HydrophobicContact CD2-CD1 3.68Å; R503-I661 VanDerWaalsContact CD-CD1 3.47Å; Y506-I661 HydrophobicContact CD1-CD1 4.36Å; Y506-I661 HydrophobicContact CD1-CG1 3.93Å; Y506-I661 HydrophobicContact CD2-CG1 3.73Å; Y506-I661 HydrophobicContact CE1-CB 4.42Å; Y506-I661 HydrophobicContact CE1-CG1 3.97Å; Y506-I661 HydrophobicContact CE1-CG2 4.08Å; Y506-I661 HydrophobicContact CE2-CB 4.47Å; Y506-I661 HydrophobicContact CE2-CG1 3.77Å; Y506-I661 HydrophobicContact CG-CD1 4.23Å; Y506-I661 HydrophobicContact CG-CG1 3.83Å; A657-I661 WeakPolarHBondContact O-CG1 3.49Å; A657-I661 PolarHBondContact O-N 3.21Å; D658-I661 PolarHBondContact O-N 3.31Å; I661-A663 VanDerWaalsContact C-N 3.29Å; I661-A663 PolarHBondContact O-N 2.94Å; I661-L664 HydrophobicContact CD1-CD1 3.93Å; I661-L664 WeakPolarHBondContact O-CB 3.49Å; I661-L664 PolarHBondContact O-N 2.94Å; I661-L664 VanDerWaalsContact O-N 3.15Å; I661-D665 PolarHBondContact O-N 3.43Å
662	Q	82.1	Confident	69.2	Low	130 Å²	130	78.7 Å²	78.7	61%	0.607	42%	0.415	S	S	*	.	H	α-helix	trans	-61.3	-38.8	176.9	-171.3	179.1	14.8	0	0	111.9	D658 E659 D665 T666	D658-Q662 WeakPolarHBondContact O-CB 3.44Å; D658-Q662 PolarHBondContact O-N 3.27Å; E659-Q662 PolarHBondContact O-N 2.96Å; Q662-D665 PolarHBondContact O-N 2.97Å; Q662-T666 WeakPolarHBondContact O-CB 3.48Å; Q662-T666 WeakPolarHBondContact O-CG2 3.48Å; Q662-T666 PolarHBondContact O-N 3.38Å; Q662-T666 PolarHBondContact O-OG1 2.94Å
663	A	78.8	Confident	67.9	Low	37 Å²	37	75.7 Å²	75.7	31%	0.306	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.3	0	0	0	0	0	112.3	E659 V660 I661 T666 Q667	E659-A663 WeakPolarHBondContact O-CB 3.14Å; E659-A663 PolarHBondContact O-N 3.08Å; V660-A663 PolarHBondContact O-N 3.26Å; I661-A663 VanDerWaalsContact C-N 3.29Å; I661-A663 PolarHBondContact O-N 2.94Å; A663-T666 WeakPolarHBondContact CA-OG1 3.42Å; A663-T666 PolarHBondContact O-OG1 3.45Å; A663-Q667 WeakPolarHBondContact O-CB 3.47Å; A663-Q667 WeakPolarHBondContact O-CG 3.41Å; A663-Q667 PolarHBondContact O-N 3.49Å
664	L	81.6	Confident	66.1	Low	34 Å²	34	77.3 Å²	77.3	18%	0.178	42%	0.424	C	S	.	.	H	α-helix	trans	-65	-44.9	174.9	-69	164.6	0	0	0	112	Y493 M499 V660 I661 T666 Q667 S668	Y493-L664 HydrophobicContact CE1-CD2 4.06Å; Y493-L664 HydrophobicContact CE2-CD1 4.27Å; Y493-L664 HydrophobicContact CE2-CD2 4.1Å; Y493-L664 HydrophobicContact CE2-CG 4.29Å; Y493-L664 VanDerWaalsContact CZ-CD2 3.5Å; Y493-L664 WeakPolarHBondContact OH-CD2 3Å; Y493-L664 WeakPolarHBondContact OH-CG 3.34Å; M499-L664 HydrophobicContact CE-CD1 3.19Å; M499-L664 HydrophobicContact CE-CD2 4.18Å; M499-L664 HydrophobicContact CE-CG 4.23Å; V660-L664 WeakPolarHBondContact O-CG 3.47Å; V660-L664 PolarHBondContact O-N 3.34Å; V660-L664 VanDerWaalsContact O-N 3.09Å; I661-L664 HydrophobicContact CD1-CD1 3.93Å; I661-L664 WeakPolarHBondContact O-CB 3.49Å; I661-L664 PolarHBondContact O-N 2.94Å; I661-L664 VanDerWaalsContact O-N 3.15Å; L664-T666 VanDerWaalsContact C-N 3.3Å; L664-T666 PolarHBondContact O-N 3.28Å; L664-Q667 PolarHBondContact O-N 2.93Å; L664-S668 WeakPolarHBondContact O-CB 3.33Å; L664-S668 PolarHBondContact O-N 3.48Å
665	D	81.9	Confident	64.1	Low	68 Å²	68	84.2 Å²	84.2	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-41.5	-178.6	-72.7	-14.3	0	0	0	109.9	R503 I661 Q662 S668 V669	R503-D665 IonicContact CZ-OD1 3.83Å; R503-D665 IonicContact CZ-OD2 2.71Å; R503-D665 IonicContact NH1-OD1 3.75Å; R503-D665 PolarHBondContact NH1-OD1 3.07Å; R503-D665 IonicContact NH1-OD2 3.35Å; R503-D665 IonicContact NH2-OD1 2.98Å; R503-D665 PolarHBondContact NH2-OD1 3.01Å; R503-D665 VanDerWaalsContact NH2-OD1 3.09Å; R503-D665 IonicContact NH2-OD2 2.69Å; R503-D665 PolarHBondContact NH2-OD2 3.42Å; I661-D665 PolarHBondContact O-N 3.43Å; Q662-D665 PolarHBondContact O-N 2.97Å; D665-S668 PolarHBondContact O-OG 3.15Å; D665-V669 VanDerWaalsContact O-CG2 3.26Å; D665-V669 WeakPolarHBondContact O-CG2 3.38Å; D665-V669 PolarHBondContact O-N 2.96Å
666	T	75.8	Confident	62.6	Low	69 Å²	69	87.6 Å²	87.6	42%	0.423	48%	0.484	S	S	.	.	H	α-helix	trans	-66.6	-47.1	172.7	49	0	0	0	0	112.3	Q662 A663 L664 S668 V669 W670	Q662-T666 WeakPolarHBondContact O-CB 3.48Å; Q662-T666 WeakPolarHBondContact O-CG2 3.48Å; Q662-T666 PolarHBondContact O-N 3.38Å; Q662-T666 PolarHBondContact O-OG1 2.94Å; A663-T666 WeakPolarHBondContact CA-OG1 3.42Å; A663-T666 PolarHBondContact O-OG1 3.45Å; L664-T666 VanDerWaalsContact C-N 3.3Å; L664-T666 PolarHBondContact O-N 3.28Å; T666-S668 VanDerWaalsContact C-N 3.3Å; T666-S668 PolarHBondContact O-N 2.94Å; T666-V669 WeakPolarHBondContact O-CB 3.43Å; T666-V669 PolarHBondContact O-N 3.11Å; T666-W670 PolarHBondContact O-N 3.39Å; T666-W670 VanDerWaalsContact O-N 3.14Å
667	Q	62.1	Low	60.8	Low	124 Å²	124	88.9 Å²	88.9	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-60.1	-36.4	176.7	-77.6	-179.3	1.5	0	0	113.4	A663 L664 V669 W670 G671	A663-Q667 WeakPolarHBondContact O-CB 3.47Å; A663-Q667 WeakPolarHBondContact O-CG 3.41Å; A663-Q667 PolarHBondContact O-N 3.49Å; L664-Q667 PolarHBondContact O-N 2.93Å; Q667-V669 VanDerWaalsContact C-N 3.26Å; Q667-V669 PolarHBondContact O-N 2.71Å; Q667-W670 PolarHBondContact O-N 3.43Å; Q667-G671 PolarHBondContact O-N 3.32Å
668	S	55.8	Low	58.9	Low	72 Å²	72	95.2 Å²	95.2	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-32.5	175.6	79.2	0	0	0	0	112.6	L664 D665 T666	L664-S668 WeakPolarHBondContact O-CB 3.33Å; L664-S668 PolarHBondContact O-N 3.48Å; D665-S668 PolarHBondContact O-OG 3.15Å; T666-S668 VanDerWaalsContact C-N 3.3Å; T666-S668 PolarHBondContact O-N 2.94Å
669	V	46.8	Very low	56.9	Low	105 Å²	105	101 Å²	101	64%	0.636	56%	0.557	S	S	*	*	H	α-helix	trans	-74.3	-32.6	176.2	172.4	0	0	0	0	111.7	D665 T666 Q667	D665-V669 VanDerWaalsContact O-CG2 3.26Å; D665-V669 WeakPolarHBondContact O-CG2 3.38Å; D665-V669 PolarHBondContact O-N 2.96Å; T666-V669 WeakPolarHBondContact O-CB 3.43Å; T666-V669 PolarHBondContact O-N 3.11Å; Q667-V669 VanDerWaalsContact C-N 3.26Å; Q667-V669 PolarHBondContact O-N 2.71Å
670	W	40	Very low	55.4	Low	188 Å²	188	101.7 Å²	101.7	71%	0.712	57%	0.565	S	S	*	*	H	α-helix	trans	-84.2	-27.2	176.5	-70.8	68.4	0	0	0	113	T666 Q667 Q672 G673	T666-W670 PolarHBondContact O-N 3.39Å; T666-W670 VanDerWaalsContact O-N 3.14Å; Q667-W670 PolarHBondContact O-N 3.43Å; W670-Q672 VanDerWaalsContact C-N 3.28Å; W670-Q672 PolarHBondContact O-N 3.39Å; W670-G673 PolarHBondContact O-N 3.26Å; W670-G673 VanDerWaalsContact O-N 3.14Å
671	G	39.7	Very low	53.3	Low	65 Å²	65	109.5 Å²	109.5	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-69.6	-16.7	178.2	0	0	0	0	0	115.1	Q667 G673	Q667-G671 PolarHBondContact O-N 3.32Å; G671-G673 VanDerWaalsContact C-N 3.32Å
672	Q	40.7	Very low	50.8	Low	185 Å²	185	121.1 Å²	121.1	86%	0.864	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-2.5	171.3	-71.7	-173	-12	0	0	113.6	W670	W670-Q672 VanDerWaalsContact C-N 3.28Å; W670-Q672 PolarHBondContact O-N 3.39Å
673	G	37.7	Very low	49.2	Very low	57 Å²	57	120.7 Å²	120.7	59%	0.588	66%	0.663	S	S	*	*	S	Bend	trans	-117.9	-7.6	-169.9	0	0	0	0	0	117.7	W670 G671	W670-G673 PolarHBondContact O-N 3.26Å; W670-G673 VanDerWaalsContact O-N 3.14Å; G671-G673 VanDerWaalsContact C-N 3.32Å
674	L	35.6	Very low	47.7	Very low	112 Å²	112	125.1 Å²	125.1	59%	0.586	68%	0.681	S	S	*	*			trans	-136.1	90.8	-170.7	-74.9	168.9	0	0	0	113	I676	L674-I676 VanDerWaalsContact C-N 3.28Å; L674-I676 HydrophobicContact CB-CD1 4.14Å; L674-I676 HydrophobicContact CB-CG1 4.13Å; L674-I676 HydrophobicContact CD1-CD1 4.23Å; L674-I676 HydrophobicContact CD2-CD1 4.12Å; L674-I676 HydrophobicContact CD2-CG1 4.21Å; L674-I676 HydrophobicContact CG-CD1 4.39Å; L674-I676 PolarHBondContact O-N 2.93Å; L674-I676 VanDerWaalsContact O-N 3.08Å
675	T	41.3	Very low	45.8	Very low	153 Å²	153	130.1 Å²	130.1	94%	0.939	71%	0.709	S	S	*	*			trans	-70.9	84.5	154	33.9	0	0	0	0	109.2
676	I	38.9	Very low	43.6	Very low	132 Å²	132	133.8 Å²	133.8	68%	0.677	73%	0.73	S	S	*	*			trans	-94.7	120.6	170	-62.8	170.7	0	0	0	108.9	L674	L674-I676 VanDerWaalsContact C-N 3.28Å; L674-I676 HydrophobicContact CB-CD1 4.14Å; L674-I676 HydrophobicContact CB-CG1 4.13Å; L674-I676 HydrophobicContact CD1-CD1 4.23Å; L674-I676 HydrophobicContact CD2-CD1 4.12Å; L674-I676 HydrophobicContact CD2-CG1 4.21Å; L674-I676 HydrophobicContact CG-CD1 4.39Å; L674-I676 PolarHBondContact O-N 2.93Å; L674-I676 VanDerWaalsContact O-N 3.08Å
677	N	35.6	Very low	41.6	Very low	110 Å²	110	137.8 Å²	137.8	59%	0.588	75%	0.749	S	S	*	*			trans	-69.6	126.5	-178.8	-174.6	5.7	0	0	0	110.3	K679	N677-K679 PolarHBondContact O-N 3.36Å
678	P	39.6	Very low	40.3	Very low	132 Å²	132	138.7 Å²	138.7	86%	0.857	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	42.5	-174.3	31.7	-35.7	0	0	0	113.7
679	K	38.2	Very low	39.2	Very low	174 Å²	174	143.5 Å²	143.5	76%	0.757	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-2.7	177.4	-92.1	-166.4	175.7	-174.8	0	115.6	N677	N677-K679 PolarHBondContact O-N 3.36Å
680	D	44.3	Very low	38.6	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	79%	0.789	S	S	*	*			trans	-114.1	56.2	-178.1	-70.1	-24	0	0	0	112
681	E	37	Very low	38.5	Very low	200 Å²	200	143 Å²	143	94%	0.935	80%	0.796	S	S	*	*			trans	-145.4	92.2	151.5	-70	-164.1	169.4	0	0	109.4
682	L	33	Very low	38.3	Very low	249 Å²	249	150.1 Å²	150.1	100%	1.304	81%	0.807	S	S	*	*			trans	-118.1	0	159.6	-107.3	173.1	0	0	0	108

Retrieved 682 of 682 residues in 249 ms (Link to these results)

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