A0A087XKG3_POEFO Loading...

Glycerophosphodiester phosphodiesterase domain containing 5

AlphaFold DB , UniProt , Accession A0A087XKG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 561 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	36.4	Very low	38.7	Very low	246 Å²	246	159.5 Å²	159.5	100%	1.212	80%	0.797	S	S	*	*				0	103.1	0	-98.9	176.6	165.9	0	0	108.9	K3	M1-K3 PolarHBondContact O-N 3.45Å
2	V	34.7	Very low	40	Very low	127 Å²	127	163.6 Å²	163.6	77%	0.77	80%	0.796	S	S	*	*			trans	-72.5	115.4	170.5	176.5	0	0	0	0	106.8	H4	V2-H4 PolarHBondContact O-N 3.1Å; V2-H4 VanDerWaalsContact O-N 3.1Å
3	K	33.1	Very low	42.2	Very low	202 Å²	202	160 Å²	160	88%	0.878	78%	0.777	S	S	*	*			trans	-69.5	103.4	170	-92.1	-177.8	174.4	178	0	107.3	M1 Q5	M1-K3 PolarHBondContact O-N 3.45Å; K3-Q5 PolarHBondContact O-N 3.14Å
4	H	37.6	Very low	44.5	Very low	172 Å²	172	156.6 Å²	156.6	80%	0.796	76%	0.764	S	S	*	*			trans	-62.4	109	163.8	-75.3	-65	0	0	0	107.9	V2	V2-H4 PolarHBondContact O-N 3.1Å; V2-H4 VanDerWaalsContact O-N 3.1Å
5	Q	34.2	Very low	46.9	Very low	176 Å²	176	152.4 Å²	152.4	82%	0.822	76%	0.755	S	S	*	*			trans	-57	134.3	160.5	-86.5	178	-30.2	0	0	107.4	K3 L7	K3-Q5 PolarHBondContact O-N 3.14Å; Q5-L7 PolarHBondContact O-N 2.79Å
6	P	38.4	Very low	48.9	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	71%	0.712	S	S	*	*			trans	-57.5	134.2	175.5	24	-30.9	0	0	0	108.5	Q8	P6-Q8 VanDerWaalsContact C-N 3.32Å; P6-Q8 PolarHBondContact O-N 3.3Å
7	L	38.2	Very low	50.7	Low	173 Å²	173	137 Å²	137	91%	0.906	68%	0.682	S	S	*	*			trans	-53.1	97.1	171.7	-88.2	153	0	0	0	108.5	Q5 V9	Q5-L7 PolarHBondContact O-N 2.79Å; L7-V9 PolarHBondContact O-N 3.18Å
8	Q	39.4	Very low	52.6	Low	125 Å²	125	132.7 Å²	132.7	58%	0.584	67%	0.666	S	S	*	*			trans	-67.6	114.3	171.8	-84	177.8	-31.7	0	0	107.6	P6 Y10	P6-Q8 VanDerWaalsContact C-N 3.32Å; P6-Q8 PolarHBondContact O-N 3.3Å; Q8-Y10 HydrophobicContact CB-CE2 4.06Å; Q8-Y10 WeakPolarHBondContact O-CD2 3.27Å; Q8-Y10 WeakPolarHBondContact O-CE2 3.48Å; Q8-Y10 PolarHBondContact O-N 3.03Å
9	V	37.1	Very low	54.2	Low	140 Å²	140	127 Å²	127	85%	0.848	64%	0.638	S	S	*	*			trans	-70.1	102.5	171.4	179.4	0	0	0	0	107.1	L7 E11	L7-V9 PolarHBondContact O-N 3.18Å; V9-E11 PolarHBondContact O-N 3.01Å
10	Y	46.3	Very low	55.7	Low	122 Å²	122	120.7 Å²	120.7	48%	0.478	61%	0.606	S	S	.	*			trans	-76.9	105	177.5	-71.3	-89.5	0	0	0	109.6	Q8 R12	Q8-Y10 HydrophobicContact CB-CE2 4.06Å; Q8-Y10 WeakPolarHBondContact O-CD2 3.27Å; Q8-Y10 WeakPolarHBondContact O-CE2 3.48Å; Q8-Y10 PolarHBondContact O-N 3.03Å; Y10-R12 PolarHBondContact O-N 3.46Å
11	E	50.1	Low	57	Low	160 Å²	160	114.9 Å²	114.9	75%	0.748	58%	0.577	S	S	*	*			trans	-64.8	129.6	165	-89.2	-172.8	160.1	0	0	110.2	V9 Q13	V9-E11 PolarHBondContact O-N 3.01Å; E11-Q13 PolarHBondContact O-N 3.45Å
12	R	54.2	Low	59.5	Low	208 Å²	208	106.1 Å²	106.1	79%	0.785	54%	0.535	S	S	*	.			trans	-78.1	84.6	-177.6	-146	179.2	-169.4	-176.2	2.8	109.1	Y10 L14	Y10-R12 PolarHBondContact O-N 3.46Å; R12-L14 HydrophobicContact CG-CD1 4.28Å; R12-L14 PolarHBondContact O-N 2.74Å
13	Q	69.4	Low	62.1	Low	117 Å²	117	100 Å²	100	55%	0.547	50%	0.498	S	S	.	.			trans	-76.9	73.5	174.5	-64.3	-170.7	-3.8	0	0	110.7	E11 C15 L16 S17	E11-Q13 PolarHBondContact O-N 3.45Å; Q13-C15 VanDerWaalsContact C-N 3.29Å; Q13-C15 PolarHBondContact O-N 3.28Å; Q13-L16 HydrophobicContact CB-CB 3.92Å; Q13-L16 PolarHBondContact O-N 2.95Å; Q13-S17 PolarHBondContact O-N 2.69Å; Q13-S17 VanDerWaalsContact O-N 3.07Å
14	L	74.3	Confident	64.6	Low	113 Å²	113	90.8 Å²	90.8	59%	0.592	46%	0.46	S	S	*	.	H	α-helix	trans	-52.9	-44.6	-179.5	-88.2	127.5	0	0	0	112.4	R12 L16 S17 C18	R12-L14 HydrophobicContact CG-CD1 4.28Å; R12-L14 PolarHBondContact O-N 2.74Å; L14-L16 PolarHBondContact O-N 3.29Å; L14-S17 WeakPolarHBondContact O-CB 3.41Å; L14-S17 PolarHBondContact O-N 3.13Å; L14-C18 PolarHBondContact O-N 2.88Å; L14-C18 PolarHBondContact O-SG 3.49Å
15	C	79.8	Confident	66.7	Low	93 Å²	93	85.5 Å²	85.5	63%	0.628	44%	0.442	S	S	*	.	H	α-helix	trans	-60.7	-44.8	179	-177.6	0	0	0	0	112.5	Q13 S17 C18 I19	Q13-C15 VanDerWaalsContact C-N 3.29Å; Q13-C15 PolarHBondContact O-N 3.28Å; C15-S17 VanDerWaalsContact C-N 3.34Å; C15-S17 PolarHBondContact O-N 3.47Å; C15-C18 PolarHBondContact O-N 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.25Å; C15-I19 PolarHBondContact O-N 3.47Å
16	L	79.3	Confident	68.8	Low	14 Å²	14	79.3 Å²	79.3	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-62	-44.6	177	-176.2	68.3	0	0	0	111	Q13 L14 C18 I19 T20 L114 Q116	Q13-L16 HydrophobicContact CB-CB 3.92Å; Q13-L16 PolarHBondContact O-N 2.95Å; L14-L16 PolarHBondContact O-N 3.29Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 2.99Å; L16-I19 PolarHBondContact O-N 3.4Å; L16-T20 HydrophobicContact CD1-CG2 4.33Å; L16-T20 HydrophobicContact CG-CG2 4.42Å; L16-T20 WeakPolarHBondContact O-CG2 3.38Å; L16-T20 PolarHBondContact O-N 3.14Å; L16-T20 PolarHBondContact O-OG1 3.41Å; L16-T20 VanDerWaalsContact O-OG1 3.06Å; L16-L114 HydrophobicContact CD1-CB 4.46Å; L16-L114 HydrophobicContact CD1-CD1 3.8Å; L16-Q116 HydrophobicContact CD1-CG 3.74Å
17	S	80	Confident	70.5	Confident	29 Å²	29	81 Å²	81	20%	0.203	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-35	177.9	-169.6	0	0	0	0	112.7	Q13 L14 C15 T20 G21 W27	Q13-S17 PolarHBondContact O-N 2.69Å; Q13-S17 VanDerWaalsContact O-N 3.07Å; L14-S17 WeakPolarHBondContact O-CB 3.41Å; L14-S17 PolarHBondContact O-N 3.13Å; C15-S17 VanDerWaalsContact C-N 3.34Å; C15-S17 PolarHBondContact O-N 3.47Å; S17-T20 PolarHBondContact O-OG1 2.97Å; S17-G21 WeakPolarHBondContact O-CA 3.17Å; S17-G21 PolarHBondContact O-N 2.88Å; S17-W27 PolarHBondContact OG-O 3.44Å
18	C	83.8	Confident	71.7	Confident	59 Å²	59	81.5 Å²	81.5	40%	0.399	40%	0.397	S	S	.	.	H	α-helix	trans	-68.3	-46.7	174.1	-69.3	0	0	0	0	111.2	L14 C15 L16 T20 G21 I22	L14-C18 PolarHBondContact O-N 2.88Å; L14-C18 PolarHBondContact O-SG 3.49Å; C15-C18 PolarHBondContact O-N 3.25Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 2.99Å; C18-T20 PolarHBondContact O-N 2.87Å; C18-G21 PolarHBondContact O-N 3.31Å; C18-I22 VanDerWaalsContact O-CG1 3.26Å; C18-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 PolarHBondContact O-N 3.4Å
19	I	84.5	Confident	72.3	Confident	25 Å²	25	85.1 Å²	85.1	13%	0.128	41%	0.406	C	S	.	.	H	α-helix	trans	-64.1	-43.2	-179.2	-67.9	166	0	0	0	111.5	C15 L16 Y23 L107 C110 H111 L114	C15-I19 WeakPolarHBondContact O-CG1 3.25Å; C15-I19 PolarHBondContact O-N 3.47Å; L16-I19 PolarHBondContact O-N 3.4Å; I19-Y23 WeakPolarHBondContact O-CB 3.42Å; I19-Y23 PolarHBondContact O-N 3.49Å; I19-L107 HydrophobicContact CG2-CD2 4.44Å; I19-C110 HydrophobicContact CD1-CB 4.37Å; I19-C110 HydrophobicContact CG2-CB 4.19Å; I19-H111 VanDerWaalsContact CG2-CD2 3.48Å; I19-H111 WeakPolarHBondContact CG2-CD2 3.35Å; I19-H111 PolarHBondContact O-NE2 2.92Å; I19-H111 VanDerWaalsContact O-NE2 3.1Å; I19-L114 HydrophobicContact CD1-CD1 3.77Å
20	T	82.8	Confident	73.1	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-73.6	-32.2	176.6	59.3	0	0	0	0	112.4	L16 S17 C18 G24 R26	L16-T20 HydrophobicContact CD1-CG2 4.33Å; L16-T20 HydrophobicContact CG-CG2 4.42Å; L16-T20 WeakPolarHBondContact O-CG2 3.38Å; L16-T20 PolarHBondContact O-N 3.14Å; L16-T20 PolarHBondContact O-OG1 3.41Å; L16-T20 VanDerWaalsContact O-OG1 3.06Å; S17-T20 PolarHBondContact O-OG1 2.97Å; C18-T20 PolarHBondContact O-N 2.87Å; T20-G24 PolarHBondContact O-N 2.96Å; T20-G24 VanDerWaalsContact O-N 3.11Å; T20-R26 CarbonylContact C-O 3.53Å; T20-R26 PolarHBondContact O-N 3.47Å; T20-R26 PolarHBondContact OG1-O 3.08Å
21	G	83.9	Confident	73.3	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-52.3	175.3	0	0	0	0	0	112.1	S17 C18 C25 R26 W27	S17-G21 WeakPolarHBondContact O-CA 3.17Å; S17-G21 PolarHBondContact O-N 2.88Å; C18-G21 PolarHBondContact O-N 3.31Å; G21-C25 WeakPolarHBondContact O-CA 3.42Å; G21-C25 PolarHBondContact O-N 2.75Å; G21-R26 PolarHBondContact N-O 2.9Å; G21-W27 VanDerWaalsContact CA-CD2 3.47Å; G21-W27 WeakPolarHBondContact O-CZ2 3.49Å
22	I	88.6	Confident	73.3	Confident	61 Å²	61	81.1 Å²	81.1	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-69.6	-45.8	-176.8	-61.8	165.9	0	0	0	111	C18 W27 F103 L107 H124	C18-I22 VanDerWaalsContact O-CG1 3.26Å; C18-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 PolarHBondContact O-N 3.4Å; I22-W27 HydrophobicContact CG1-CH2 3.63Å; I22-W27 HydrophobicContact CG1-CZ2 4.3Å; I22-W27 HydrophobicContact CG1-CZ3 4.45Å; I22-F103 HydrophobicContact CG2-CE1 3.7Å; I22-F103 HydrophobicContact CG2-CZ 3.94Å; I22-L107 HydrophobicContact CB-CD1 4.17Å; I22-L107 HydrophobicContact CG2-CD1 3.58Å; I22-H124 PolarHBondContact O-NE2 3.31Å
23	Y	89.6	Confident	73.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-74.4	-34.3	-175.5	-171.7	-97.4	0	0	0	114	I19 L48 L104 L107 A108 H111 N119 L120 H121 H124	I19-Y23 WeakPolarHBondContact O-CB 3.42Å; I19-Y23 PolarHBondContact O-N 3.49Å; Y23-L48 HydrophobicContact CE2-CD2 4.41Å; Y23-L104 HydrophobicContact CD2-CD2 4.41Å; Y23-L107 HydrophobicContact CD2-CB 3.69Å; Y23-L107 HydrophobicContact CD2-CD1 4.44Å; Y23-L107 HydrophobicContact CE2-CB 4.47Å; Y23-L107 HydrophobicContact CG-CB 4.4Å; Y23-A108 HydrophobicContact CE2-CB 3.87Å; Y23-H111 WeakPolarHBondContact CB-NE2 3.38Å; Y23-H111 AromaticContact CD1-NE2 3.83Å; Y23-H111 AromaticContact CG-NE2 3.76Å; Y23-N119 VanDerWaalsContact CD1-O 3.25Å; Y23-N119 WeakPolarHBondContact CD1-O 3.48Å; Y23-L120 HydrophobicContact CD1-CD1 4.44Å; Y23-L120 HydrophobicContact CD2-CD1 4Å; Y23-L120 HydrophobicContact CE1-CB 3.93Å; Y23-L120 HydrophobicContact CE1-CD1 4.01Å; Y23-L120 HydrophobicContact CE2-CD1 3.53Å; Y23-L120 HydrophobicContact CG-CD1 4.44Å; Y23-H121 PolarHBondContact O-N 2.73Å; Y23-H124 PolarHBondContact O-CD2 2.87Å
24	G	85.5	Confident	72.4	Confident	8 Å²	8	74.7 Å²	74.7	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-127.3	3.4	-169.6	0	0	0	0	0	115.5	T20 R26 N119	T20-G24 PolarHBondContact O-N 2.96Å; T20-G24 VanDerWaalsContact O-N 3.11Å; G24-R26 PolarHBondContact O-N 3.08Å; G24-N119 WeakPolarHBondContact CA-O 3.29Å
25	C	82.4	Confident	71.7	Confident	61 Å²	61	75 Å²	75	41%	0.412	36%	0.358	S	S	.	.	S	Bend	trans	56.5	28	-168.7	-67.7	0	0	0	0	114.3	G21 H121	G21-C25 WeakPolarHBondContact O-CA 3.42Å; G21-C25 PolarHBondContact O-N 2.75Å; C25-H121 VanDerWaalsContact CB-CD2 3.42Å; C25-H121 WeakPolarHBondContact CB-CD2 3.34Å; C25-H121 PolarHBondContact SG-CD2 3.21Å; C25-H121 VanDerWaalsContact SG-CG 3.54Å
26	R	77.1	Confident	71.1	Confident	45 Å²	45	77.6 Å²	77.6	17%	0.17	37%	0.365	C	S	.	.			trans	-101.2	83.9	-179.4	-63.8	-172.1	-67.9	-176.4	1.6	111.1	T20 G21 G24 Y30 Q117	T20-R26 CarbonylContact C-O 3.53Å; T20-R26 PolarHBondContact O-N 3.47Å; T20-R26 PolarHBondContact OG1-O 3.08Å; G21-R26 PolarHBondContact N-O 2.9Å; G24-R26 PolarHBondContact O-N 3.08Å; R26-Y30 HydrophobicContact CB-CE2 4.14Å; R26-Y30 PolarHBondContact NH1-OH 2.99Å; R26-Q117 VanDerWaalsContact NH1-OE1 3.17Å; R26-Q117 PolarHBondContact NH2-O 2.89Å
27	W	73.6	Confident	71.1	Confident	148 Å²	148	79.5 Å²	79.5	56%	0.561	38%	0.377	S	S	*	.			trans	-93.1	-2.9	-176.2	-57.1	99	0	0	0	115.3	S17 G21 I22	S17-W27 PolarHBondContact OG-O 3.44Å; G21-W27 VanDerWaalsContact CA-CD2 3.47Å; G21-W27 WeakPolarHBondContact O-CZ2 3.49Å; I22-W27 HydrophobicContact CG1-CH2 3.63Å; I22-W27 HydrophobicContact CG1-CZ2 4.3Å; I22-W27 HydrophobicContact CG1-CZ3 4.45Å
28	K	63.5	Low	71.4	Confident	183 Å²	183	81.6 Å²	81.6	80%	0.796	39%	0.389	S	S	*	.	S	Bend	trans	-78.4	155.8	-176.4	-72.9	-175.1	177.6	179.6	0	112.2	Y30	K28-Y30 PolarHBondContact O-N 2.99Å
29	R	53.6	Low	71.7	Confident	202 Å²	202	87.8 Å²	87.8	76%	0.762	41%	0.409	S	S	*	.			trans	-41.9	105	172.6	-107.5	-178	-174	170	2.6	109.6
30	Y	53.6	Low	71.9	Confident	59 Å²	59	95.6 Å²	95.6	23%	0.231	44%	0.437	C	S	.	.			trans	-90.8	117.1	-166.6	-141.8	-100.3	0	0	0	110.8	R26 K28 Q116	R26-Y30 HydrophobicContact CB-CE2 4.14Å; R26-Y30 PolarHBondContact NH1-OH 2.99Å; K28-Y30 PolarHBondContact O-N 2.99Å; Y30-Q116 VanDerWaalsContact CE1-OE1 3.31Å
31	Q	49.1	Very low	72.3	Confident	142 Å²	142	96.8 Å²	96.8	66%	0.664	44%	0.443	S	S	*	.			trans	-75.8	131.6	154.1	-176	173	-14.2	0	0	106.7	S33	Q31-S33 PolarHBondContact O-N 3.22Å
32	R	51	Low	72.5	Confident	137 Å²	137	101.4 Å²	101.4	52%	0.517	47%	0.467	S	S	.	.			trans	-52	110.6	174.1	-150.5	178.7	-166.3	152.2	5.6	107.6	H34 L114	R32-H34 PolarHBondContact O-N 2.96Å; R32-H34 VanDerWaalsContact O-N 3.15Å; R32-L114 PolarHBondContact NH2-O 2.93Å
33	S	51.2	Low	72.8	Confident	23 Å²	23	102.2 Å²	102.2	16%	0.161	47%	0.471	C	S	.	.			trans	-66.7	117.2	175.6	172	0	0	0	0	106.8	Q31 D35 Q117	Q31-S33 PolarHBondContact O-N 3.22Å; S33-D35 PolarHBondContact OG-N 3.44Å; S33-Q117 PolarHBondContact OG-NE2 2.62Å
34	H	52.9	Low	73.1	Confident	167 Å²	167	104.9 Å²	104.9	77%	0.773	48%	0.482	S	S	*	.			trans	-83.7	1.5	172.1	-82.7	-79.1	0	0	0	111.9	R32	R32-H34 PolarHBondContact O-N 2.96Å; R32-H34 VanDerWaalsContact O-N 3.15Å
35	D	59.9	Low	73.5	Confident	120 Å²	120	105.4 Å²	105.4	64%	0.642	48%	0.484	S	S	*	.	S	Bend	trans	-77.7	137.1	-177.7	-62.5	-33.5	0	0	0	110.1	S33 Q117	S33-D35 PolarHBondContact OG-N 3.44Å; D35-Q117 VanDerWaalsContact C-NE2 3.35Å; D35-Q117 WeakPolarHBondContact O-CG 3.39Å; D35-Q117 PolarHBondContact O-NE2 2.96Å
36	N	67.9	Low	74.1	Confident	147 Å²	147	107.2 Å²	107.2	79%	0.786	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-65.6	146.7	178.2	-71.5	-41.7	0	0	0	111.7	T38 Q117	N36-T38 PolarHBondContact O-N 3.45Å; N36-Q117 PolarHBondContact O-NE2 2.88Å
37	T	78.9	Confident	75	Confident	53 Å²	53	107.2 Å²	107.2	33%	0.325	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-57.5	131	169.5	-56.8	0	0	0	0	109.5	E41 L118	T37-E41 HydrophobicContact CG2-CB 3.62Å; T37-L118 HydrophobicContact CG2-CB 4.09Å
38	T	86.1	Confident	76.2	Confident	73 Å²	73	100.2 Å²	100.2	45%	0.448	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-69.5	155.5	-179.7	72.4	0	0	0	0	110.6	N36 W40 E41 L42	N36-T38 PolarHBondContact O-N 3.45Å; T38-W40 PolarHBondContact O-N 2.91Å; T38-E41 PolarHBondContact O-N 3.18Å; T38-E41 VanDerWaalsContact O-N 3.13Å; T38-E41 WeakPolarHBondContact OG1-CG 3.39Å; T38-E41 PolarHBondContact OG1-N 3.43Å; T38-E41 VanDerWaalsContact OG1-N 3.16Å; T38-L42 PolarHBondContact O-N 2.94Å
39	K	89.2	Confident	77.7	Confident	190 Å²	190	95.6 Å²	95.6	83%	0.826	45%	0.449	S	S	*	.	H	α-helix	trans	-55.8	-34.3	174.9	-67.3	-176.2	179.5	-179.7	0	112.2	L42 L43	K39-L42 PolarHBondContact O-N 3.48Å; K39-L43 PolarHBondContact O-N 3.45Å
40	W	89.5	Confident	79.8	Confident	188 Å²	188	91.5 Å²	91.5	71%	0.712	44%	0.437	S	S	*	.	H	α-helix	trans	-67.1	-44.5	176.4	-74.5	119.3	0	0	0	112.9	T38 L42 L43 W44	T38-W40 PolarHBondContact O-N 2.91Å; W40-L42 VanDerWaalsContact C-N 3.31Å; W40-L42 PolarHBondContact O-N 3.25Å; W40-L43 HydrophobicContact CE3-CD2 4.02Å; W40-L43 HydrophobicContact CZ3-CD2 3.92Å; W40-L43 WeakPolarHBondContact O-CB 3.42Å; W40-L43 PolarHBondContact O-N 2.9Å; W40-W44 VanDerWaalsContact O-CD1 3.29Å; W40-W44 PolarHBondContact O-N 3.34Å; W40-W44 VanDerWaalsContact O-N 3.11Å
41	E	90.5	Very high	82	Confident	26 Å²	26	88.8 Å²	88.8	12%	0.121	43%	0.426	C	S	.	.	H	α-helix	trans	-68.5	-32.1	175.8	-69.7	-48.7	137.2	0	0	112.2	T37 T38 W44 S45 L118 L120 K125	T37-E41 HydrophobicContact CG2-CB 3.62Å; T38-E41 PolarHBondContact O-N 3.18Å; T38-E41 VanDerWaalsContact O-N 3.13Å; T38-E41 WeakPolarHBondContact OG1-CG 3.39Å; T38-E41 PolarHBondContact OG1-N 3.43Å; T38-E41 VanDerWaalsContact OG1-N 3.16Å; E41-W44 PolarHBondContact O-N 3.5Å; E41-S45 PolarHBondContact O-N 3.45Å; E41-S45 PolarHBondContact O-OG 2.92Å; E41-L118 WeakPolarHBondContact CB-O 3.45Å; E41-L120 PolarHBondContact OE2-N 3.04Å; E41-K125 IonicContact OE1-NZ 2.85Å; E41-K125 PolarHBondContact OE1-NZ 3.32Å; E41-K125 IonicContact OE2-NZ 3.13Å; E41-K125 PolarHBondContact OE2-NZ 3.4Å
42	L	89.6	Confident	84.3	Confident	96 Å²	96	84.3 Å²	84.3	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-44.4	171.5	-175	69.2	0	0	0	111.5	T38 K39 W40 W44 S45 L46	T38-L42 PolarHBondContact O-N 2.94Å; K39-L42 PolarHBondContact O-N 3.48Å; W40-L42 VanDerWaalsContact C-N 3.31Å; W40-L42 PolarHBondContact O-N 3.25Å; L42-W44 VanDerWaalsContact C-N 3.33Å; L42-W44 PolarHBondContact O-N 2.92Å; L42-S45 WeakPolarHBondContact O-CB 3.42Å; L42-S45 PolarHBondContact O-N 3.37Å; L42-S45 VanDerWaalsContact O-N 3.16Å; L42-L46 PolarHBondContact O-N 3.36Å
43	L	94	Very high	86.5	Confident	78 Å²	78	80.2 Å²	80.2	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-58.2	-45.3	175	179	65	0	0	0	111.4	K39 W40 S45 L46 I47	K39-L43 PolarHBondContact O-N 3.45Å; W40-L43 HydrophobicContact CE3-CD2 4.02Å; W40-L43 HydrophobicContact CZ3-CD2 3.92Å; W40-L43 WeakPolarHBondContact O-CB 3.42Å; W40-L43 PolarHBondContact O-N 2.9Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.31Å; L43-L46 WeakPolarHBondContact O-CB 3.27Å; L43-L46 PolarHBondContact O-N 3.47Å; L43-L46 VanDerWaalsContact O-N 3.14Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 WeakPolarHBondContact O-CG1 3.29Å; L43-I47 PolarHBondContact O-N 2.89Å
44	W	95.4	Very high	88.7	Confident	56 Å²	56	80.5 Å²	80.5	21%	0.212	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-33	176.4	-83.4	105.2	0	0	0	113.5	W40 E41 L42 L46 I47 L48 K125 T129	W40-W44 VanDerWaalsContact O-CD1 3.29Å; W40-W44 PolarHBondContact O-N 3.34Å; W40-W44 VanDerWaalsContact O-N 3.11Å; E41-W44 PolarHBondContact O-N 3.5Å; L42-W44 VanDerWaalsContact C-N 3.33Å; L42-W44 PolarHBondContact O-N 2.92Å; W44-L46 VanDerWaalsContact C-N 3.35Å; W44-I47 HydrophobicContact CD2-CD1 4.39Å; W44-I47 HydrophobicContact CE3-CB 4.42Å; W44-I47 HydrophobicContact CE3-CD1 4.16Å; W44-I47 HydrophobicContact CE3-CG2 4.37Å; W44-I47 HydrophobicContact CZ3-CD1 4.4Å; W44-I47 HydrophobicContact CZ3-CG2 4.36Å; W44-I47 PolarHBondContact O-N 2.91Å; W44-L48 WeakPolarHBondContact O-CB 3.47Å; W44-L48 PolarHBondContact O-N 2.99Å; W44-K125 VanDerWaalsContact CD1-CE 3.43Å; W44-K125 HydrophobicContact CD2-CB 4.25Å; W44-K125 HydrophobicContact CD2-CD 3.89Å; W44-K125 HydrophobicContact CD2-CG 3.67Å; W44-K125 HydrophobicContact CE3-CB 4.06Å; W44-K125 HydrophobicContact CE3-CG 3.81Å; W44-K125 HydrophobicContact CG-CD 4.1Å; W44-K125 HydrophobicContact CG-CG 4.18Å; W44-K125 HydrophobicContact CH2-CB 3.73Å; W44-K125 HydrophobicContact CH2-CG 4.24Å; W44-K125 HydrophobicContact CZ2-CB 3.92Å; W44-K125 HydrophobicContact CZ2-CD 4.12Å; W44-K125 HydrophobicContact CZ2-CG 4.11Å; W44-K125 HydrophobicContact CZ3-CB 3.8Å; W44-K125 HydrophobicContact CZ3-CG 4.09Å; W44-T129 WeakPolarHBondContact CH2-OG1 3.45Å
45	S	93.6	Very high	90.8	Very high	19 Å²	19	72.8 Å²	72.8	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-67.6	-36.8	173.9	-55.2	0	0	0	0	111.7	E41 L42 L43 L48 L49 L118	E41-S45 PolarHBondContact O-N 3.45Å; E41-S45 PolarHBondContact O-OG 2.92Å; L42-S45 WeakPolarHBondContact O-CB 3.42Å; L42-S45 PolarHBondContact O-N 3.37Å; L42-S45 VanDerWaalsContact O-N 3.16Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.31Å; S45-L48 PolarHBondContact O-N 3.14Å; S45-L49 PolarHBondContact O-N 3.48Å; S45-L118 WeakPolarHBondContact OG-CB 3.33Å; S45-L118 WeakPolarHBondContact OG-CD1 3.29Å
46	L	94.9	Very high	92.5	Very high	100 Å²	100	71 Å²	71	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-41.1	173	-67.9	173.3	0	0	0	112	L42 L43 W44 L49 F50	L42-L46 PolarHBondContact O-N 3.36Å; L43-L46 WeakPolarHBondContact O-CB 3.27Å; L43-L46 PolarHBondContact O-N 3.47Å; L43-L46 VanDerWaalsContact O-N 3.14Å; W44-L46 VanDerWaalsContact C-N 3.35Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-F50 WeakPolarHBondContact O-CB 3.17Å; L46-F50 PolarHBondContact O-N 3.44Å
47	I	97.3	Very high	93.8	Very high	45 Å²	45	68.8 Å²	68.8	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-46.4	174	-66.6	168	0	0	0	109.8	L43 W44 L49 F50 T51 V128 L132	L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 WeakPolarHBondContact O-CG1 3.29Å; L43-I47 PolarHBondContact O-N 2.89Å; W44-I47 HydrophobicContact CD2-CD1 4.39Å; W44-I47 HydrophobicContact CE3-CB 4.42Å; W44-I47 HydrophobicContact CE3-CD1 4.16Å; W44-I47 HydrophobicContact CE3-CG2 4.37Å; W44-I47 HydrophobicContact CZ3-CD1 4.4Å; W44-I47 HydrophobicContact CZ3-CG2 4.36Å; W44-I47 PolarHBondContact O-N 2.91Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 3.28Å; I47-F50 PolarHBondContact O-N 2.86Å; I47-T51 WeakPolarHBondContact O-CB 3.16Å; I47-T51 PolarHBondContact O-N 3.16Å; I47-T51 PolarHBondContact O-OG1 2.98Å; I47-V128 HydrophobicContact CG2-CG1 3.9Å; I47-L132 HydrophobicContact CG2-CD2 4.21Å
48	L	97.8	Very high	94.7	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-42.1	176.3	176.8	64.6	0	0	0	111.8	Y23 W44 S45 F52 I101 L104 M105 A108 V128	Y23-L48 HydrophobicContact CE2-CD2 4.41Å; W44-L48 WeakPolarHBondContact O-CB 3.47Å; W44-L48 PolarHBondContact O-N 2.99Å; S45-L48 PolarHBondContact O-N 3.14Å; L48-F52 WeakPolarHBondContact O-CB 3.41Å; L48-F52 PolarHBondContact O-N 2.85Å; L48-I101 HydrophobicContact CD1-CD1 4.33Å; L48-I101 HydrophobicContact CD1-CG2 4.02Å; L48-L104 HydrophobicContact CD1-CB 3.91Å; L48-L104 HydrophobicContact CD1-CD1 4.41Å; L48-L104 HydrophobicContact CD2-CB 4.17Å; L48-M105 HydrophobicContact CD2-CE 4.42Å; L48-M105 HydrophobicContact CG-CE 3.86Å; L48-A108 HydrophobicContact CD2-CB 4.17Å; L48-V128 HydrophobicContact CD1-CG2 3.71Å
49	L	96.4	Very high	95.2	Very high	85 Å²	85	64.7 Å²	64.7	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-46.3	175.4	-178.4	63.6	0	0	0	112.6	S45 L46 I47 F52 S53 M105	S45-L49 PolarHBondContact O-N 3.48Å; L46-L49 PolarHBondContact O-N 3.48Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 3.28Å; L49-F52 PolarHBondContact O-N 3.43Å; L49-S53 PolarHBondContact O-N 2.98Å; L49-S53 PolarHBondContact O-OG 3.43Å; L49-S53 VanDerWaalsContact O-OG 3.12Å; L49-M105 HydrophobicContact CB-CE 3.96Å; L49-M105 HydrophobicContact CD1-CE 3.84Å; L49-M105 HydrophobicContact CD1-SD 4.34Å
50	F	97.9	Very high	95.5	Very high	117 Å²	117	57.8 Å²	57.8	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-46.6	176.4	-179.2	-105	0	0	0	111.7	L46 I47 F52 S53 L54 L132	L46-F50 WeakPolarHBondContact O-CB 3.17Å; L46-F50 PolarHBondContact O-N 3.44Å; I47-F50 PolarHBondContact O-N 2.86Å; F50-F52 VanDerWaalsContact C-N 3.34Å; F50-F52 PolarHBondContact O-N 3.38Å; F50-S53 PolarHBondContact O-N 2.99Å; F50-L54 HydrophobicContact CE1-CD2 4.48Å; F50-L54 WeakPolarHBondContact O-CB 3.23Å; F50-L54 PolarHBondContact O-N 2.88Å; F50-L132 HydrophobicContact CD1-CD1 3.81Å; F50-L132 HydrophobicContact CD1-CD2 4.46Å; F50-L132 HydrophobicContact CE1-CD1 3.78Å
51	T	98.3	Very high	95.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-42.5	177.1	-55.6	0	0	0	0	111.7	I47 L54 L55 I101 V128 L132	I47-T51 WeakPolarHBondContact O-CB 3.16Å; I47-T51 PolarHBondContact O-N 3.16Å; I47-T51 PolarHBondContact O-OG1 2.98Å; T51-L54 PolarHBondContact O-N 3.25Å; T51-L55 HydrophobicContact CG2-CD1 4.03Å; T51-L55 WeakPolarHBondContact O-CB 3.26Å; T51-L55 PolarHBondContact O-N 2.94Å; T51-I101 HydrophobicContact CG2-CD1 4.14Å; T51-I101 HydrophobicContact CG2-CG1 4.19Å; T51-I101 HydrophobicContact CG2-CG2 4.29Å; T51-V128 HydrophobicContact CG2-CG1 4.47Å; T51-L132 HydrophobicContact CG2-CB 4Å
52	F	98.1	Very high	96	Very high	48 Å²	48	47.8 Å²	47.8	21%	0.211	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-49.6	175.4	173.3	-99	0	0	0	111.6	L48 L49 F50 L54 L55 L56 F98 I101 A102 M105	L48-F52 WeakPolarHBondContact O-CB 3.41Å; L48-F52 PolarHBondContact O-N 2.85Å; L49-F52 PolarHBondContact O-N 3.43Å; F50-F52 VanDerWaalsContact C-N 3.34Å; F50-F52 PolarHBondContact O-N 3.38Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.89Å; F52-L55 PolarHBondContact O-N 3.47Å; F52-L56 HydrophobicContact CE1-CD2 4.46Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 PolarHBondContact O-N 3.22Å; F52-F98 HydrophobicContact CD2-CE2 4.44Å; F52-F98 AromaticContact CE2-CE2 3.9Å; F52-F98 HydrophobicContact CE2-CE2 3.9Å; F52-F98 HydrophobicContact CE2-CZ 4.26Å; F52-F98 HydrophobicContact CZ-CE2 4.48Å; F52-I101 HydrophobicContact CB-CG2 3.75Å; F52-I101 HydrophobicContact CD2-CG2 4.33Å; F52-A102 HydrophobicContact CD2-CB 4.21Å; F52-A102 HydrophobicContact CE2-CB 3.8Å; F52-M105 HydrophobicContact CB-CE 3.72Å; F52-M105 HydrophobicContact CD1-CE 4.49Å; F52-M105 HydrophobicContact CD2-CB 4.29Å; F52-M105 HydrophobicContact CG-CB 4.48Å; F52-M105 HydrophobicContact CG-CE 4.16Å; F52-M105 HydrophobicContact CG-CG 4.36Å
53	S	96.8	Very high	96.3	Very high	52 Å²	52	52.3 Å²	52.3	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-41.6	179.7	-61.6	0	0	0	0	112.1	L49 F50 L56 I57	L49-S53 PolarHBondContact O-N 2.98Å; L49-S53 PolarHBondContact O-OG 3.43Å; L49-S53 VanDerWaalsContact O-OG 3.12Å; F50-S53 PolarHBondContact O-N 2.99Å; S53-L56 PolarHBondContact O-N 3.43Å; S53-I57 WeakPolarHBondContact O-CG1 3.39Å; S53-I57 PolarHBondContact O-N 3.4Å; S53-I57 VanDerWaalsContact O-N 3.14Å
54	L	97.3	Very high	96.3	Very high	29 Å²	29	48.8 Å²	48.8	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-45.1	177.6	-168.8	69.4	0	0	0	111.5	F50 T51 F52 L56 I57 W58 L132 T135 I136 I139	F50-L54 HydrophobicContact CE1-CD2 4.48Å; F50-L54 WeakPolarHBondContact O-CB 3.23Å; F50-L54 PolarHBondContact O-N 2.88Å; T51-L54 PolarHBondContact O-N 3.25Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.89Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 3.04Å; L54-I57 PolarHBondContact O-N 3.07Å; L54-W58 WeakPolarHBondContact O-CB 3.43Å; L54-W58 PolarHBondContact O-N 3.14Å; L54-L132 HydrophobicContact CD2-CD1 3.84Å; L54-T135 HydrophobicContact CD2-CG2 3.78Å; L54-T135 HydrophobicContact CG-CG2 3.77Å; L54-I136 HydrophobicContact CD2-CG1 3.85Å; L54-I139 HydrophobicContact CD1-CD1 3.52Å; L54-I139 HydrophobicContact CD2-CD1 4.2Å; L54-I139 HydrophobicContact CG-CD1 3.85Å
55	L	97.4	Very high	96.2	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-32.8	176.5	-85.8	168.2	0	0	0	112.9	T51 F52 W58 S59 F98 I101 T135	T51-L55 HydrophobicContact CG2-CD1 4.03Å; T51-L55 WeakPolarHBondContact O-CB 3.26Å; T51-L55 PolarHBondContact O-N 2.94Å; F52-L55 PolarHBondContact O-N 3.47Å; L55-W58 PolarHBondContact O-N 3.22Å; L55-S59 VanDerWaalsContact O-CB 3.26Å; L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 3.01Å; L55-S59 PolarHBondContact O-OG 3.35Å; L55-F98 HydrophobicContact CB-CD2 4.17Å; L55-I101 HydrophobicContact CD1-CB 3.92Å; L55-I101 HydrophobicContact CD1-CG1 3.58Å; L55-I101 HydrophobicContact CD1-CG2 4.27Å; L55-T135 HydrophobicContact CD2-CG2 4.19Å; L55-T135 WeakPolarHBondContact CD2-OG1 3.24Å; L55-T135 HydrophobicContact CG-CG2 4.44Å
56	L	95.8	Very high	96.2	Very high	83 Å²	83	48.7 Å²	48.7	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-47.7	174.1	-179.2	65.9	0	0	0	110.5	F52 S53 L54 S59 Y60 F98	F52-L56 HydrophobicContact CE1-CD2 4.46Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 PolarHBondContact O-N 3.22Å; S53-L56 PolarHBondContact O-N 3.43Å; L54-L56 VanDerWaalsContact C-N 3.32Å; L54-L56 PolarHBondContact O-N 3.04Å; L56-S59 PolarHBondContact O-N 2.93Å; L56-Y60 WeakPolarHBondContact O-CB 3.23Å; L56-Y60 PolarHBondContact O-N 2.78Å; L56-F98 HydrophobicContact CB-CE2 4.02Å; L56-F98 HydrophobicContact CD1-CE2 3.72Å; L56-F98 HydrophobicContact CD1-CZ 3.84Å
57	I	95.5	Very high	96.2	Very high	100 Å²	100	44 Å²	44	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-45.4	176	-65.5	166.5	0	0	0	110.6	S53 L54 S59 Y60 F61	S53-I57 WeakPolarHBondContact O-CG1 3.39Å; S53-I57 PolarHBondContact O-N 3.4Å; S53-I57 VanDerWaalsContact O-N 3.14Å; L54-I57 PolarHBondContact O-N 3.07Å; I57-S59 PolarHBondContact O-N 2.98Å; I57-Y60 PolarHBondContact O-N 2.86Å; I57-F61 PolarHBondContact O-N 2.89Å
58	W	96.9	Very high	96	Very high	13 Å²	13	42 Å²	42	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-41.2	179	-179.3	-112.4	0	0	0	112.9	L54 L55 F61 W62 I90 T94 T135 G138 I139 V142	L54-W58 WeakPolarHBondContact O-CB 3.43Å; L54-W58 PolarHBondContact O-N 3.14Å; L55-W58 PolarHBondContact O-N 3.22Å; W58-F61 HydrophobicContact CE3-CD1 4.36Å; W58-F61 HydrophobicContact CZ3-CD1 4.21Å; W58-F61 PolarHBondContact O-N 3.47Å; W58-W62 AromaticContact CD2-CD1 3.82Å; W58-W62 AromaticContact CD2-NE1 3.79Å; W58-W62 AromaticContact CE2-CD1 3.49Å; W58-W62 VanDerWaalsContact CE2-CD1 3.49Å; W58-W62 AromaticContact CE2-NE1 3.17Å; W58-W62 HydrophobicContact CH2-CZ2 4.32Å; W58-W62 AromaticContact CH2-NE1 3.26Å; W58-W62 VanDerWaalsContact CH2-NE1 3.26Å; W58-W62 AromaticContact CZ2-CD1 3.76Å; W58-W62 AromaticContact CZ2-CE2 3.94Å; W58-W62 HydrophobicContact CZ2-CZ2 4.37Å; W58-W62 AromaticContact CZ2-NE1 2.92Å; W58-W62 AromaticContact CZ3-NE1 3.79Å; W58-W62 AromaticContact NE1-CD1 3.65Å; W58-W62 AromaticContact NE1-NE1 3.7Å; W58-W62 PolarHBondContact O-N 2.96Å; W58-W62 VanDerWaalsContact O-N 3.14Å; W58-I90 HydrophobicContact CZ2-CG2 4.44Å; W58-T94 VanDerWaalsContact CD1-CG2 3.5Å; W58-T94 PolarHBondContact NE1-OG1 3.48Å; W58-T135 HydrophobicContact CB-CG2 3.83Å; W58-T135 HydrophobicContact CD2-CG2 4.46Å; W58-T135 HydrophobicContact CG-CG2 3.87Å; W58-G138 WeakPolarHBondContact CH2-O 3.48Å; W58-I139 HydrophobicContact CD2-CG1 4.23Å; W58-I139 HydrophobicContact CE3-CD1 4.4Å; W58-I139 HydrophobicContact CE3-CG1 3.47Å; W58-I139 VanDerWaalsContact CE3-CG1 3.47Å; W58-I139 HydrophobicContact CZ3-CB 4.41Å; W58-I139 HydrophobicContact CZ3-CG1 3.74Å; W58-V142 HydrophobicContact CH2-CB 4.4Å; W58-V142 HydrophobicContact CH2-CG2 3.61Å; W58-V142 HydrophobicContact CZ3-CB 4.38Å; W58-V142 HydrophobicContact CZ3-CG2 4.01Å
59	S	96.2	Very high	95.8	Very high	27 Å²	27	43.5 Å²	43.5	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-39.7	176.1	-55.4	0	0	0	0	111.3	L55 L56 I57 W62 W63 T94	L55-S59 VanDerWaalsContact O-CB 3.26Å; L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 3.01Å; L55-S59 PolarHBondContact O-OG 3.35Å; L56-S59 PolarHBondContact O-N 2.93Å; I57-S59 PolarHBondContact O-N 2.98Å; S59-W62 PolarHBondContact O-N 3.38Å; S59-W63 WeakPolarHBondContact O-CB 3.37Å; S59-W63 PolarHBondContact O-N 3.33Å; S59-T94 WeakPolarHBondContact OG-CG2 3.45Å
60	Y	95.9	Very high	95.5	Very high	46 Å²	46	40.6 Å²	40.6	18%	0.18	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-43.6	174.3	-179.6	-99.4	0	0	0	111.6	L56 I57 W62 W63 E64 I153 S156 L157 T160 L164	L56-Y60 WeakPolarHBondContact O-CB 3.23Å; L56-Y60 PolarHBondContact O-N 2.78Å; I57-Y60 PolarHBondContact O-N 2.86Å; Y60-W62 PolarHBondContact O-N 3Å; Y60-W63 WeakPolarHBondContact O-CB 3.29Å; Y60-W63 PolarHBondContact O-N 3.36Å; Y60-E64 HydrophobicContact CD1-CG 4.31Å; Y60-E64 HydrophobicContact CD2-CG 4.33Å; Y60-E64 HydrophobicContact CE1-CG 3.83Å; Y60-E64 HydrophobicContact CE2-CG 3.88Å; Y60-E64 WeakPolarHBondContact CE2-OE1 3.29Å; Y60-E64 WeakPolarHBondContact O-CG 3.41Å; Y60-E64 PolarHBondContact O-N 2.92Å; Y60-I153 HydrophobicContact CD1-CD1 3.8Å; Y60-I153 HydrophobicContact CE1-CD1 3.89Å; Y60-I153 HydrophobicContact CE1-CG2 4.41Å; Y60-S156 VanDerWaalsContact OH-CB 3.27Å; Y60-S156 WeakPolarHBondContact OH-CB 3.29Å; Y60-S156 PolarHBondContact OH-OG 2.95Å; Y60-L157 HydrophobicContact CE1-CD2 4.48Å; Y60-T160 PolarHBondContact OH-OG1 3.37Å; Y60-L164 HydrophobicContact CE2-CD1 4.16Å
61	F	95.9	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.7	-51.8	174.3	170.6	-93.3	0	0	0	112.1	I57 W58 W63 E64 A65 V142 E149 W150 I153	I57-F61 PolarHBondContact O-N 2.89Å; W58-F61 HydrophobicContact CE3-CD1 4.36Å; W58-F61 HydrophobicContact CZ3-CD1 4.21Å; W58-F61 PolarHBondContact O-N 3.47Å; F61-W63 VanDerWaalsContact C-N 3.3Å; F61-W63 PolarHBondContact O-N 3.44Å; F61-E64 PolarHBondContact O-N 2.95Å; F61-A65 HydrophobicContact CE1-CB 4.45Å; F61-A65 HydrophobicContact CZ-CB 4.47Å; F61-A65 VanDerWaalsContact O-CB 3.3Å; F61-A65 WeakPolarHBondContact O-CB 3.26Å; F61-A65 PolarHBondContact O-N 3Å; F61-V142 HydrophobicContact CE1-CG1 4.06Å; F61-V142 HydrophobicContact CE1-CG2 4.4Å; F61-V142 HydrophobicContact CE2-CG1 4.4Å; F61-V142 HydrophobicContact CZ-CG1 3.67Å; F61-E149 HydrophobicContact CE2-CB 4.05Å; F61-E149 HydrophobicContact CZ-CB 4.06Å; F61-W150 HydrophobicContact CB-CZ3 4.38Å; F61-W150 HydrophobicContact CD2-CD2 4.45Å; F61-W150 AromaticContact CD2-CE3 3.81Å; F61-W150 HydrophobicContact CD2-CE3 3.81Å; F61-W150 HydrophobicContact CD2-CH2 4.28Å; F61-W150 AromaticContact CD2-CZ3 3.71Å; F61-W150 HydrophobicContact CD2-CZ3 3.71Å; F61-W150 HydrophobicContact CE2-CD2 4.31Å; F61-W150 HydrophobicContact CE2-CE3 4.12Å; F61-W150 HydrophobicContact CE2-CZ3 4.32Å; F61-W150 HydrophobicContact CG-CH2 4.45Å; F61-W150 HydrophobicContact CG-CZ3 4.14Å; F61-I153 HydrophobicContact CB-CD1 3.97Å; F61-I153 HydrophobicContact CD2-CD1 3.97Å; F61-I153 HydrophobicContact CD2-CG1 4.16Å; F61-I153 HydrophobicContact CG-CD1 4.47Å
62	W	95.6	Very high	94.8	Very high	3 Å²	3	39 Å²	39	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-33.4	-179.6	-82.7	103	0	0	0	113.1	W58 S59 Y60 Y69 F72 I90 L91 V142	W58-W62 AromaticContact CD2-CD1 3.82Å; W58-W62 AromaticContact CD2-NE1 3.79Å; W58-W62 AromaticContact CE2-CD1 3.49Å; W58-W62 VanDerWaalsContact CE2-CD1 3.49Å; W58-W62 AromaticContact CE2-NE1 3.17Å; W58-W62 HydrophobicContact CH2-CZ2 4.32Å; W58-W62 AromaticContact CH2-NE1 3.26Å; W58-W62 VanDerWaalsContact CH2-NE1 3.26Å; W58-W62 AromaticContact CZ2-CD1 3.76Å; W58-W62 AromaticContact CZ2-CE2 3.94Å; W58-W62 HydrophobicContact CZ2-CZ2 4.37Å; W58-W62 AromaticContact CZ2-NE1 2.92Å; W58-W62 AromaticContact CZ3-NE1 3.79Å; W58-W62 AromaticContact NE1-CD1 3.65Å; W58-W62 AromaticContact NE1-NE1 3.7Å; W58-W62 PolarHBondContact O-N 2.96Å; W58-W62 VanDerWaalsContact O-N 3.14Å; S59-W62 PolarHBondContact O-N 3.38Å; Y60-W62 PolarHBondContact O-N 3Å; W62-Y69 AromaticContact CE3-CE1 3.86Å; W62-Y69 HydrophobicContact CE3-CE1 3.86Å; W62-Y69 HydrophobicContact CZ3-CE1 4.19Å; W62-Y69 WeakPolarHBondContact O-CE1 3.23Å; W62-Y69 PolarHBondContact O-OH 3.21Å; W62-F72 HydrophobicContact CH2-CD1 4.38Å; W62-F72 HydrophobicContact CH2-CE1 4.03Å; W62-F72 HydrophobicContact CH2-CE2 4.19Å; W62-F72 AromaticContact CH2-CZ 3.93Å; W62-F72 HydrophobicContact CH2-CZ 3.93Å; W62-I90 HydrophobicContact CD2-CG2 3.87Å; W62-I90 HydrophobicContact CE3-CG2 4.44Å; W62-I90 HydrophobicContact CG-CG2 4.4Å; W62-I90 HydrophobicContact CH2-CD1 3.69Å; W62-I90 HydrophobicContact CH2-CG2 4.11Å; W62-I90 HydrophobicContact CZ2-CB 4.34Å; W62-I90 HydrophobicContact CZ2-CD1 3.81Å; W62-I90 HydrophobicContact CZ2-CG2 3.5Å; W62-I90 VanDerWaalsContact CZ2-CG2 3.5Å; W62-L91 HydrophobicContact CB-CD2 3.72Å; W62-L91 HydrophobicContact CE3-CD2 4.36Å; W62-L91 HydrophobicContact CG-CD2 4.26Å; W62-V142 HydrophobicContact CZ2-CG2 4.26Å
63	W	95.1	Very high	94.4	Very high	191 Å²	191	37 Å²	37	72%	0.723	18%	0.178	S	C	*	.	H	α-helix	trans	-61.9	-45.4	174	-178.4	-85	0	0	0	112	S59 Y60 F61 D66	S59-W63 WeakPolarHBondContact O-CB 3.37Å; S59-W63 PolarHBondContact O-N 3.33Å; Y60-W63 WeakPolarHBondContact O-CB 3.29Å; Y60-W63 PolarHBondContact O-N 3.36Å; F61-W63 VanDerWaalsContact C-N 3.3Å; F61-W63 PolarHBondContact O-N 3.44Å; W63-D66 WeakPolarHBondContact O-CB 3.45Å
64	E	93.8	Very high	94.1	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-77.1	-28	-178.6	-60.9	-61.4	152.6	0	0	112.9	Y60 F61 D66 I152 S156 W461	Y60-E64 HydrophobicContact CD1-CG 4.31Å; Y60-E64 HydrophobicContact CD2-CG 4.33Å; Y60-E64 HydrophobicContact CE1-CG 3.83Å; Y60-E64 HydrophobicContact CE2-CG 3.88Å; Y60-E64 WeakPolarHBondContact CE2-OE1 3.29Å; Y60-E64 WeakPolarHBondContact O-CG 3.41Å; Y60-E64 PolarHBondContact O-N 2.92Å; F61-E64 PolarHBondContact O-N 2.95Å; E64-D66 PolarHBondContact O-N 2.81Å; E64-D66 VanDerWaalsContact O-N 3.15Å; E64-I152 HydrophobicContact CB-CG1 4.14Å; E64-I152 HydrophobicContact CB-CG2 4.23Å; E64-S156 VanDerWaalsContact CD-CB 3.46Å; E64-S156 WeakPolarHBondContact OE2-CB 3.41Å; E64-W461 VanDerWaalsContact OE2-CZ2 3.31Å; E64-W461 WeakPolarHBondContact OE2-CZ2 2.9Å
65	A	93.9	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-69.3	-3.5	177.3	0	0	0	0	0	114.2	F61 N67 D68 Y69	F61-A65 HydrophobicContact CE1-CB 4.45Å; F61-A65 HydrophobicContact CZ-CB 4.47Å; F61-A65 VanDerWaalsContact O-CB 3.3Å; F61-A65 WeakPolarHBondContact O-CB 3.26Å; F61-A65 PolarHBondContact O-N 3Å; A65-N67 PolarHBondContact O-N 3.27Å; A65-N67 VanDerWaalsContact O-N 3.17Å; A65-D68 CarbonylContact O-C 3.53Å; A65-D68 PolarHBondContact O-N 3.46Å; A65-Y69 VanDerWaalsContact C-CE1 3.42Å; A65-Y69 HydrophobicContact CB-CE1 4.12Å; A65-Y69 WeakPolarHBondContact O-CD1 3.35Å; A65-Y69 WeakPolarHBondContact O-CE1 3.44Å; A65-Y69 PolarHBondContact O-N 2.83Å
66	D	93.7	Very high	93.3	Very high	72 Å²	72	41.2 Å²	41.2	39%	0.385	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-53	-34.4	177.8	-169.3	30.9	0	0	0	112.6	W63 E64 D68 Y69	W63-D66 WeakPolarHBondContact O-CB 3.45Å; E64-D66 PolarHBondContact O-N 2.81Å; E64-D66 VanDerWaalsContact O-N 3.15Å; D66-D68 PolarHBondContact O-N 2.9Å; D66-D68 VanDerWaalsContact O-N 3.11Å; D66-Y69 VanDerWaalsContact CA-CE1 3.42Å; D66-Y69 HydrophobicContact CB-CD2 4.5Å; D66-Y69 HydrophobicContact CB-CE1 4.3Å; D66-Y69 HydrophobicContact CB-CE2 4.08Å; D66-Y69 PolarHBondContact O-N 3.04Å; D66-Y69 WeakPolarHBondContact OD1-CD2 3.43Å; D66-Y69 WeakPolarHBondContact OD1-CE2 3.49Å
67	N	94.9	Very high	93	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-53.6	-33.9	174.5	-174.4	83.2	0	0	0	113.3	A65 T456 N458 E459	A65-N67 PolarHBondContact O-N 3.27Å; A65-N67 VanDerWaalsContact O-N 3.17Å; N67-T456 PolarHBondContact ND2-O 3.37Å; N67-N458 PolarHBondContact O-ND2 3.44Å; N67-N458 VanDerWaalsContact O-ND2 3.12Å; N67-N458 PolarHBondContact OD1-N 3.03Å; N67-E459 HydrophobicContact CB-CB 4.42Å; N67-E459 HydrophobicContact CB-CG 4.02Å; N67-E459 PolarHBondContact OD1-N 2.65Å
68	D	93.7	Very high	92.6	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-116.1	14.1	-169.7	-57.8	-43.5	0	0	0	113.1	A65 D66 N70 E71 F72 W146 R433 Y434	A65-D68 CarbonylContact O-C 3.53Å; A65-D68 PolarHBondContact O-N 3.46Å; D66-D68 PolarHBondContact O-N 2.9Å; D66-D68 VanDerWaalsContact O-N 3.11Å; D68-N70 PolarHBondContact O-N 3.16Å; D68-E71 HydrophobicContact CB-CB 4.36Å; D68-E71 WeakPolarHBondContact O-CB 3.21Å; D68-E71 PolarHBondContact O-N 2.97Å; D68-F72 PolarHBondContact O-N 3.02Å; D68-W146 HydrophobicContact CB-CH2 4.06Å; D68-W146 HydrophobicContact CB-CZ2 3.89Å; D68-R433 IonicContact OD1-NH2 3.5Å; D68-R433 IonicContact OD2-NH2 3.98Å; D68-R433 PolarHBondContact OD2-NH2 2.94Å; D68-Y434 WeakPolarHBondContact OD2-CE1 3.27Å; D68-Y434 PolarHBondContact OD2-OH 2.75Å
69	Y	92.5	Very high	92.1	Very high	33 Å²	33	42.8 Å²	42.8	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-36.2	177.4	-81.1	4.6	0	0	0	113.4	W62 A65 D66 F72 N73 T87 L91	W62-Y69 AromaticContact CE3-CE1 3.86Å; W62-Y69 HydrophobicContact CE3-CE1 3.86Å; W62-Y69 HydrophobicContact CZ3-CE1 4.19Å; W62-Y69 WeakPolarHBondContact O-CE1 3.23Å; W62-Y69 PolarHBondContact O-OH 3.21Å; A65-Y69 VanDerWaalsContact C-CE1 3.42Å; A65-Y69 HydrophobicContact CB-CE1 4.12Å; A65-Y69 WeakPolarHBondContact O-CD1 3.35Å; A65-Y69 WeakPolarHBondContact O-CE1 3.44Å; A65-Y69 PolarHBondContact O-N 2.83Å; D66-Y69 VanDerWaalsContact CA-CE1 3.42Å; D66-Y69 HydrophobicContact CB-CD2 4.5Å; D66-Y69 HydrophobicContact CB-CE1 4.3Å; D66-Y69 HydrophobicContact CB-CE2 4.08Å; D66-Y69 PolarHBondContact O-N 3.04Å; D66-Y69 WeakPolarHBondContact OD1-CD2 3.43Å; D66-Y69 WeakPolarHBondContact OD1-CE2 3.49Å; Y69-F72 WeakPolarHBondContact O-CB 3.46Å; Y69-F72 PolarHBondContact O-N 2.9Å; Y69-N73 PolarHBondContact O-N 3.48Å; Y69-N73 PolarHBondContact O-ND2 3.33Å; Y69-T87 HydrophobicContact CD1-CG2 3.9Å; Y69-T87 HydrophobicContact CD2-CG2 4.03Å; Y69-T87 HydrophobicContact CG-CG2 3.64Å; Y69-L91 HydrophobicContact CE2-CD1 3.72Å; Y69-L91 WeakPolarHBondContact OH-CD2 3.29Å
70	N	90	Very high	91.6	Very high	23 Å²	23	45 Å²	45	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-40.5	175.6	-171.5	46.8	0	0	0	111.9	D68 F72 N73 W74 F320 E477	D68-N70 PolarHBondContact O-N 3.16Å; N70-F72 VanDerWaalsContact C-N 3.31Å; N70-F72 PolarHBondContact O-N 3.41Å; N70-N73 PolarHBondContact O-N 2.6Å; N70-W74 WeakPolarHBondContact O-CB 3.42Å; N70-W74 PolarHBondContact O-N 3.19Å; N70-F320 HydrophobicContact CB-CE1 3.84Å; N70-F320 HydrophobicContact CB-CZ 4.21Å; N70-E477 PolarHBondContact ND2-OE1 3.38Å
71	E	89.9	Confident	91.1	Very high	72 Å²	72	43.9 Å²	43.9	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-40.6	175	-170.7	173.8	-174	0	0	110.7	D68 W74 F75 R433	D68-E71 HydrophobicContact CB-CB 4.36Å; D68-E71 WeakPolarHBondContact O-CB 3.21Å; D68-E71 PolarHBondContact O-N 2.97Å; E71-W74 PolarHBondContact O-N 2.94Å; E71-F75 PolarHBondContact O-N 3.27Å; E71-R433 IonicContact OE1-NE 2.69Å; E71-R433 IonicContact OE2-CZ 3.52Å; E71-R433 IonicContact OE2-NE 3.53Å; E71-R433 PolarHBondContact OE2-NE 3.15Å; E71-R433 IonicContact OE2-NH2 3.29Å; E71-R433 PolarHBondContact OE2-NH2 3.48Å
72	F	91.1	Very high	90.5	Very high	13 Å²	13	50.7 Å²	50.7	6%	0.057	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-48	173.7	-178.5	-108.3	0	0	0	113	W62 D68 Y69 N70 W74 F75 L76 T87 I90 W146	W62-F72 HydrophobicContact CH2-CD1 4.38Å; W62-F72 HydrophobicContact CH2-CE1 4.03Å; W62-F72 HydrophobicContact CH2-CE2 4.19Å; W62-F72 AromaticContact CH2-CZ 3.93Å; W62-F72 HydrophobicContact CH2-CZ 3.93Å; D68-F72 PolarHBondContact O-N 3.02Å; Y69-F72 WeakPolarHBondContact O-CB 3.46Å; Y69-F72 PolarHBondContact O-N 2.9Å; N70-F72 VanDerWaalsContact C-N 3.31Å; N70-F72 PolarHBondContact O-N 3.41Å; F72-W74 VanDerWaalsContact C-N 3.28Å; F72-W74 PolarHBondContact O-N 2.77Å; F72-F75 WeakPolarHBondContact O-CB 3.49Å; F72-F75 PolarHBondContact O-N 2.79Å; F72-F75 VanDerWaalsContact O-N 3.15Å; F72-L76 HydrophobicContact CD1-CD1 4.06Å; F72-L76 HydrophobicContact CD1-CG 4.48Å; F72-L76 HydrophobicContact CE1-CD1 3.51Å; F72-L76 HydrophobicContact CE1-CG 4.1Å; F72-L76 HydrophobicContact CZ-CD1 3.88Å; F72-L76 HydrophobicContact CZ-CD2 4.2Å; F72-L76 HydrophobicContact CZ-CG 4.12Å; F72-L76 PolarHBondContact O-N 3.04Å; F72-T87 HydrophobicContact CD1-CG2 3.74Å; F72-T87 HydrophobicContact CE1-CG2 4.37Å; F72-I90 HydrophobicContact CE1-CD1 3.81Å; F72-I90 HydrophobicContact CZ-CD1 3.69Å; F72-W146 HydrophobicContact CB-CE3 4.41Å; F72-W146 HydrophobicContact CB-CH2 3.58Å; F72-W146 HydrophobicContact CB-CZ2 3.82Å; F72-W146 HydrophobicContact CB-CZ3 3.88Å; F72-W146 AromaticContact CD2-CD2 3.91Å; F72-W146 HydrophobicContact CD2-CD2 3.91Å; F72-W146 AromaticContact CD2-CE3 3.48Å; F72-W146 HydrophobicContact CD2-CE3 3.48Å; F72-W146 VanDerWaalsContact CD2-CE3 3.48Å; F72-W146 HydrophobicContact CD2-CH2 4.21Å; F72-W146 AromaticContact CD2-CZ3 3.66Å; F72-W146 HydrophobicContact CD2-CZ3 3.66Å; F72-W146 HydrophobicContact CE2-CE3 4.15Å; F72-W146 HydrophobicContact CG-CE3 4.28Å; F72-W146 HydrophobicContact CG-CH2 4.22Å; F72-W146 AromaticContact CG-CZ3 3.99Å; F72-W146 HydrophobicContact CG-CZ3 3.99Å
73	N	91.3	Very high	90.1	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-36.2	178.3	-76.5	-26.6	0	0	0	111.5	Y69 N70 L76 Y77 W83 D85 G86	Y69-N73 PolarHBondContact O-N 3.48Å; Y69-N73 PolarHBondContact O-ND2 3.33Å; N70-N73 PolarHBondContact O-N 2.6Å; N73-L76 PolarHBondContact O-N 3.38Å; N73-Y77 WeakPolarHBondContact O-CB 3.26Å; N73-Y77 PolarHBondContact O-N 2.92Å; N73-W83 HydrophobicContact CB-CH2 3.98Å; N73-W83 HydrophobicContact CB-CZ2 4.11Å; N73-D85 PolarHBondContact ND2-OD1 3.05Å; N73-D85 PolarHBondContact OD1-OD1 3.07Å; N73-G86 PolarHBondContact OD1-N 3.11Å
74	W	89.3	Confident	89.6	Confident	77 Å²	77	46.7 Å²	46.7	29%	0.292	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-41.8	171.7	-177.3	88.6	0	0	0	112.3	N70 E71 F72 L76 Y77 N78 H275 D276	N70-W74 WeakPolarHBondContact O-CB 3.42Å; N70-W74 PolarHBondContact O-N 3.19Å; E71-W74 PolarHBondContact O-N 2.94Å; F72-W74 VanDerWaalsContact C-N 3.28Å; F72-W74 PolarHBondContact O-N 2.77Å; W74-L76 PolarHBondContact O-N 3.27Å; W74-Y77 WeakPolarHBondContact O-CB 3.34Å; W74-Y77 PolarHBondContact O-N 3.12Å; W74-N78 PolarHBondContact O-N 3.47Å; W74-H275 AromaticContact CE2-CE1 3.72Å; W74-H275 AromaticContact CZ2-CE1 3.84Å; W74-H275 AromaticContact NE1-CE1 3.69Å; W74-H275 AromaticContact NE1-ND1 3.66Å; W74-D276 PolarHBondContact NE1-OD1 3.37Å
75	F	89.1	Confident	89.4	Confident	49 Å²	49	48.4 Å²	48.4	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-45	173.5	169.6	-95.6	0	0	0	111.9	E71 F72 N78 N79 T145	E71-F75 PolarHBondContact O-N 3.27Å; F72-F75 WeakPolarHBondContact O-CB 3.49Å; F72-F75 PolarHBondContact O-N 2.79Å; F72-F75 VanDerWaalsContact O-N 3.15Å; F75-N78 PolarHBondContact O-N 3.33Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.43Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.29Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.36Å; F75-N79 PolarHBondContact O-N 3.45Å; F75-N79 PolarHBondContact O-ND2 3.22Å; F75-T145 HydrophobicContact CZ-CG2 4.24Å
76	L	89.4	Confident	89.2	Confident	48 Å²	48	48.9 Å²	48.9	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-44.8	175.6	-68.9	-179.2	0	0	0	111.6	F72 N73 W74 N78 N79 S80	F72-L76 HydrophobicContact CD1-CD1 4.06Å; F72-L76 HydrophobicContact CD1-CG 4.48Å; F72-L76 HydrophobicContact CE1-CD1 3.51Å; F72-L76 HydrophobicContact CE1-CG 4.1Å; F72-L76 HydrophobicContact CZ-CD1 3.88Å; F72-L76 HydrophobicContact CZ-CD2 4.2Å; F72-L76 HydrophobicContact CZ-CG 4.12Å; F72-L76 PolarHBondContact O-N 3.04Å; N73-L76 PolarHBondContact O-N 3.38Å; W74-L76 PolarHBondContact O-N 3.27Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-N78 PolarHBondContact O-N 2.92Å; L76-N79 PolarHBondContact O-N 2.75Å; L76-S80 WeakPolarHBondContact O-CB 3.22Å; L76-S80 PolarHBondContact O-N 3.43Å; L76-S80 PolarHBondContact O-OG 3.19Å; L76-S80 VanDerWaalsContact O-OG 3.05Å
77	Y	89.2	Confident	89.1	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-44.4	176.4	171.1	-97.4	0	0	0	112.3	N73 W74 N79 S80 G81 W83 R280 R281	N73-Y77 WeakPolarHBondContact O-CB 3.26Å; N73-Y77 PolarHBondContact O-N 2.92Å; W74-Y77 WeakPolarHBondContact O-CB 3.34Å; W74-Y77 PolarHBondContact O-N 3.12Å; Y77-N79 PolarHBondContact O-N 3.23Å; Y77-S80 PolarHBondContact O-N 2.92Å; Y77-G81 WeakPolarHBondContact O-CA 3.48Å; Y77-G81 PolarHBondContact O-N 3.37Å; Y77-W83 HydrophobicContact CD2-CB 4.22Å; Y77-W83 HydrophobicContact CD2-CE3 4.33Å; Y77-W83 HydrophobicContact CG-CE3 4.17Å; Y77-R280 VanDerWaalsContact OH-CB 3.23Å; Y77-R280 WeakPolarHBondContact OH-CB 3.29Å; Y77-R281 HydrophobicContact CD1-CB 4.37Å; Y77-R281 HydrophobicContact CD1-CG 4.41Å; Y77-R281 HydrophobicContact CE1-CB 3.7Å; Y77-R281 HydrophobicContact CE1-CG 4.22Å; Y77-R281 HydrophobicContact CE2-CB 4.14Å; Y77-R281 HydrophobicContact CE2-CG 4.33Å; Y77-R281 PolarHBondContact OH-N 3.17Å
78	N	87.1	Confident	89	Confident	104 Å²	104	48.5 Å²	48.5	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-63.5	-26.8	-178.7	-166.6	50.9	0	0	0	112.4	W74 F75 L76	W74-N78 PolarHBondContact O-N 3.47Å; F75-N78 PolarHBondContact O-N 3.33Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-N78 PolarHBondContact O-N 2.92Å
79	N	85.8	Confident	89	Confident	106 Å²	106	51.8 Å²	51.8	57%	0.567	28%	0.278	S	S	*	.	H	α-helix	trans	-89.9	-37.3	178.1	-67.2	-24.7	0	0	0	113.6	F75 L76 Y77	F75-N79 WeakPolarHBondContact CE1-ND2 3.43Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.29Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.36Å; F75-N79 PolarHBondContact O-N 3.45Å; F75-N79 PolarHBondContact O-ND2 3.22Å; L76-N79 PolarHBondContact O-N 2.75Å; Y77-N79 PolarHBondContact O-N 3.23Å
80	S	87.2	Confident	89.1	Confident	73 Å²	73	52.2 Å²	52.2	51%	0.51	28%	0.282	S	S	.	.	H	α-helix	trans	-92.1	-28.8	-175.9	69.8	0	0	0	0	113.5	L76 Y77 E82	L76-S80 WeakPolarHBondContact O-CB 3.22Å; L76-S80 PolarHBondContact O-N 3.43Å; L76-S80 PolarHBondContact O-OG 3.19Å; L76-S80 VanDerWaalsContact O-OG 3.05Å; Y77-S80 PolarHBondContact O-N 2.92Å; S80-E82 PolarHBondContact O-N 3.36Å; S80-E82 PolarHBondContact OG-N 3.44Å; S80-E82 VanDerWaalsContact OG-N 3.07Å; S80-E82 PolarHBondContact OG-O 2.93Å
81	G	83.8	Confident	89.3	Confident	24 Å²	24	53.9 Å²	53.9	25%	0.247	29%	0.29	C	S	.	.	S	Bend	trans	75.2	4.3	-169.5	0	0	0	0	0	114.7	Y77	Y77-G81 WeakPolarHBondContact O-CA 3.48Å; Y77-G81 PolarHBondContact O-N 3.37Å
82	E	84.8	Confident	89.6	Confident	142 Å²	142	53.2 Å²	53.2	66%	0.664	30%	0.297	S	S	*	.	S	Bend	trans	-125.7	131.9	179.4	-68.3	-169.8	170.1	0	0	110.8	S80 T84	S80-E82 PolarHBondContact O-N 3.36Å; S80-E82 PolarHBondContact OG-N 3.44Å; S80-E82 VanDerWaalsContact OG-N 3.07Å; S80-E82 PolarHBondContact OG-O 2.93Å; E82-T84 PolarHBondContact O-N 3.29Å
83	W	85.6	Confident	89.8	Confident	36 Å²	36	57.1 Å²	57.1	14%	0.136	32%	0.322	C	S	.	.			trans	-78.3	115.6	178.4	-175	-89.8	0	0	0	109.5	N73 Y77 R281 P319	N73-W83 HydrophobicContact CB-CH2 3.98Å; N73-W83 HydrophobicContact CB-CZ2 4.11Å; Y77-W83 HydrophobicContact CD2-CB 4.22Å; Y77-W83 HydrophobicContact CD2-CE3 4.33Å; Y77-W83 HydrophobicContact CG-CE3 4.17Å; W83-R281 VanDerWaalsContact CE3-CD 3.44Å; W83-R281 HydrophobicContact CE3-CG 3.96Å; W83-R281 VanDerWaalsContact CZ3-CD 3.45Å; W83-R281 HydrophobicContact CZ3-CG 4.39Å; W83-P319 HydrophobicContact CH2-CB 4.43Å; W83-P319 HydrophobicContact CZ2-CB 3.45Å; W83-P319 VanDerWaalsContact CZ2-CB 3.45Å
84	T	86.4	Confident	90.1	Very high	75 Å²	75	57.3 Å²	57.3	46%	0.46	32%	0.324	S	S	.	.			trans	-136.6	143.5	171	54.4	0	0	0	0	108.8	E82 G86	E82-T84 PolarHBondContact O-N 3.29Å; T84-G86 PolarHBondContact O-N 2.92Å; T84-G86 VanDerWaalsContact O-N 3.09Å
85	D	89.1	Confident	90.4	Very high	40 Å²	40	56.1 Å²	56.1	21%	0.214	33%	0.33	C	S	.	.			trans	-79.2	92	172.5	-169.5	-9	0	0	0	109	N73 T87 V88 P89 W321	N73-D85 PolarHBondContact ND2-OD1 3.05Å; N73-D85 PolarHBondContact OD1-OD1 3.07Å; D85-T87 PolarHBondContact O-N 3.02Å; D85-T87 PolarHBondContact OD1-N 2.92Å; D85-T87 PolarHBondContact OD1-OG1 3.32Å; D85-V88 HydrophobicContact CB-CG2 4.25Å; D85-P89 WeakPolarHBondContact O-CD 3.46Å; D85-W321 VanDerWaalsContact OD2-CZ2 3.25Å; D85-W321 WeakPolarHBondContact OD2-CZ2 3.42Å; D85-W321 PolarHBondContact OD2-NE1 3.24Å
86	G	88.8	Confident	90.8	Very high	10 Å²	10	56.8 Å²	56.8	10%	0.103	35%	0.345	C	S	.	.			trans	-74.4	-14.1	-177.1	0	0	0	0	0	113.3	N73 T84 P89 I90	N73-G86 PolarHBondContact OD1-N 3.11Å; T84-G86 PolarHBondContact O-N 2.92Å; T84-G86 VanDerWaalsContact O-N 3.09Å; G86-P89 WeakPolarHBondContact O-CD 3.32Å; G86-P89 WeakPolarHBondContact O-CG 3.36Å; G86-I90 WeakPolarHBondContact O-CD1 3.44Å; G86-I90 WeakPolarHBondContact O-CG1 3.28Å
87	T	92.1	Very high	91.2	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-70	-40.2	-179.7	68.9	0	0	0	0	111.3	Y69 F72 D85 I90 L91	Y69-T87 HydrophobicContact CD1-CG2 3.9Å; Y69-T87 HydrophobicContact CD2-CG2 4.03Å; Y69-T87 HydrophobicContact CG-CG2 3.64Å; F72-T87 HydrophobicContact CD1-CG2 3.74Å; F72-T87 HydrophobicContact CE1-CG2 4.37Å; D85-T87 PolarHBondContact O-N 3.02Å; D85-T87 PolarHBondContact OD1-N 2.92Å; D85-T87 PolarHBondContact OD1-OG1 3.32Å; T87-I90 PolarHBondContact O-N 3.4Å; T87-I90 VanDerWaalsContact O-N 3.12Å; T87-L91 WeakPolarHBondContact O-CB 3.42Å; T87-L91 VanDerWaalsContact O-CG 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.27Å; T87-L91 PolarHBondContact O-N 3.39Å
88	V	92.4	Very high	91.6	Very high	61 Å²	61	56.8 Å²	56.8	37%	0.37	35%	0.347	S	S	.	.	H	α-helix	trans	-53.2	-56.6	-177.7	-177.3	0	0	0	0	113.9	D85 I90 L91 A92 W321	D85-V88 HydrophobicContact CB-CG2 4.25Å; V88-I90 VanDerWaalsContact C-N 3.26Å; V88-I90 PolarHBondContact O-N 2.99Å; V88-L91 PolarHBondContact O-N 2.92Å; V88-A92 VanDerWaalsContact O-CB 3.28Å; V88-A92 WeakPolarHBondContact O-CB 3.2Å; V88-A92 PolarHBondContact O-N 3.46Å; V88-W321 HydrophobicContact CG2-CH2 3.7Å; V88-W321 HydrophobicContact CG2-CZ2 3.3Å
89	P	94.3	Very high	92.1	Very high	72 Å²	72	56.3 Å²	56.3	47%	0.468	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-34.5	-179.8	24.7	-34.7	0	0	0	111.9	D85 G86 T93	D85-P89 WeakPolarHBondContact O-CD 3.46Å; G86-P89 WeakPolarHBondContact O-CD 3.32Å; G86-P89 WeakPolarHBondContact O-CG 3.36Å; P89-T93 WeakPolarHBondContact O-CB 3.26Å; P89-T93 VanDerWaalsContact O-CG2 3.31Å; P89-T93 WeakPolarHBondContact O-CG2 3.35Å; P89-T93 PolarHBondContact O-N 3.38Å; P89-T93 PolarHBondContact O-OG1 3.25Å
90	I	93.8	Very high	92.6	Very high	43 Å²	43	54.7 Å²	54.7	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-45.3	179.2	-59.6	172.4	0	0	0	110.6	W58 W62 F72 G86 T87 V88 T93 T94	W58-I90 HydrophobicContact CZ2-CG2 4.44Å; W62-I90 HydrophobicContact CD2-CG2 3.87Å; W62-I90 HydrophobicContact CE3-CG2 4.44Å; W62-I90 HydrophobicContact CG-CG2 4.4Å; W62-I90 HydrophobicContact CH2-CD1 3.69Å; W62-I90 HydrophobicContact CH2-CG2 4.11Å; W62-I90 HydrophobicContact CZ2-CB 4.34Å; W62-I90 HydrophobicContact CZ2-CD1 3.81Å; W62-I90 HydrophobicContact CZ2-CG2 3.5Å; W62-I90 VanDerWaalsContact CZ2-CG2 3.5Å; F72-I90 HydrophobicContact CE1-CD1 3.81Å; F72-I90 HydrophobicContact CZ-CD1 3.69Å; G86-I90 WeakPolarHBondContact O-CD1 3.44Å; G86-I90 WeakPolarHBondContact O-CG1 3.28Å; T87-I90 PolarHBondContact O-N 3.4Å; T87-I90 VanDerWaalsContact O-N 3.12Å; V88-I90 VanDerWaalsContact C-N 3.26Å; V88-I90 PolarHBondContact O-N 2.99Å; I90-T93 PolarHBondContact O-OG1 2.95Å; I90-T93 VanDerWaalsContact O-OG1 3.07Å; I90-T94 WeakPolarHBondContact O-CB 3.31Å; I90-T94 PolarHBondContact O-N 2.81Å; I90-T94 PolarHBondContact O-OG1 3.32Å
91	L	95.4	Very high	93.2	Very high	57 Å²	57	51.2 Å²	51.2	30%	0.298	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-44.3	176.8	-68.2	175.6	0	0	0	111.9	W62 Y69 T87 V88 T94 A95	W62-L91 HydrophobicContact CB-CD2 3.72Å; W62-L91 HydrophobicContact CE3-CD2 4.36Å; W62-L91 HydrophobicContact CG-CD2 4.26Å; Y69-L91 HydrophobicContact CE2-CD1 3.72Å; Y69-L91 WeakPolarHBondContact OH-CD2 3.29Å; T87-L91 WeakPolarHBondContact O-CB 3.42Å; T87-L91 VanDerWaalsContact O-CG 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.27Å; T87-L91 PolarHBondContact O-N 3.39Å; V88-L91 PolarHBondContact O-N 2.92Å; L91-T94 PolarHBondContact O-N 3.26Å; L91-A95 WeakPolarHBondContact O-CB 3.39Å; L91-A95 PolarHBondContact O-N 3.11Å
92	A	95.9	Very high	93.8	Very high	58 Å²	58	51.1 Å²	51.1	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-46.2	178.2	0	0	0	0	0	111.7	V88 A96	V88-A92 VanDerWaalsContact O-CB 3.28Å; V88-A92 WeakPolarHBondContact O-CB 3.2Å; V88-A92 PolarHBondContact O-N 3.46Å; A92-A96 VanDerWaalsContact O-CB 3.27Å; A92-A96 WeakPolarHBondContact O-CB 3.31Å; A92-A96 PolarHBondContact O-N 3.5Å
93	T	95.4	Very high	94.4	Very high	96 Å²	96	49.2 Å²	49.2	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-68.4	-39.4	178.1	53.3	0	0	0	0	112.4	P89 I90 G97	P89-T93 WeakPolarHBondContact O-CB 3.26Å; P89-T93 VanDerWaalsContact O-CG2 3.31Å; P89-T93 WeakPolarHBondContact O-CG2 3.35Å; P89-T93 PolarHBondContact O-N 3.38Å; P89-T93 PolarHBondContact O-OG1 3.25Å; I90-T93 PolarHBondContact O-OG1 2.95Å; I90-T93 VanDerWaalsContact O-OG1 3.07Å; T93-G97 PolarHBondContact O-N 3.39Å
94	T	96.4	Very high	94.9	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-48.2	175.5	-62.2	0	0	0	0	111.3	W58 S59 I90 L91 A96 G97 F98	W58-T94 VanDerWaalsContact CD1-CG2 3.5Å; W58-T94 PolarHBondContact NE1-OG1 3.48Å; S59-T94 WeakPolarHBondContact OG-CG2 3.45Å; I90-T94 WeakPolarHBondContact O-CB 3.31Å; I90-T94 PolarHBondContact O-N 2.81Å; I90-T94 PolarHBondContact O-OG1 3.32Å; L91-T94 PolarHBondContact O-N 3.26Å; T94-A96 PolarHBondContact O-N 2.89Å; T94-G97 PolarHBondContact O-N 3.4Å; T94-F98 VanDerWaalsContact O-CB 3.28Å; T94-F98 WeakPolarHBondContact O-CB 3.35Å; T94-F98 PolarHBondContact O-N 2.83Å
95	A	97	Very high	95.4	Very high	51 Å²	51	45 Å²	45	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-42.8	178.5	0	0	0	0	0	112.2	L91 T99	L91-A95 WeakPolarHBondContact O-CB 3.39Å; L91-A95 PolarHBondContact O-N 3.11Å; A95-T99 VanDerWaalsContact O-CB 3.25Å; A95-T99 WeakPolarHBondContact O-CB 3.34Å; A95-T99 PolarHBondContact O-N 2.96Å; A95-T99 PolarHBondContact O-OG1 3.42Å
96	A	97.1	Very high	95.7	Very high	63 Å²	63	47 Å²	47	52%	0.521	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-47.1	176	0	0	0	0	0	111.7	A92 T94 Y100	A92-A96 VanDerWaalsContact O-CB 3.27Å; A92-A96 WeakPolarHBondContact O-CB 3.31Å; A92-A96 PolarHBondContact O-N 3.5Å; T94-A96 PolarHBondContact O-N 2.89Å; A96-Y100 VanDerWaalsContact O-CB 3.29Å; A96-Y100 WeakPolarHBondContact O-CB 3.31Å; A96-Y100 PolarHBondContact O-N 3.37Å
97	G	96.9	Very high	95.9	Very high	13 Å²	13	47.1 Å²	47.1	13%	0.134	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-50.6	176.8	0	0	0	0	0	112.1	T93 T94 T99 Y100 I101	T93-G97 PolarHBondContact O-N 3.39Å; T94-G97 PolarHBondContact O-N 3.4Å; G97-T99 PolarHBondContact O-N 3.42Å; G97-Y100 PolarHBondContact O-N 2.97Å; G97-I101 WeakPolarHBondContact O-CB 3.14Å; G97-I101 VanDerWaalsContact O-CG1 3.24Å; G97-I101 WeakPolarHBondContact O-CG1 3.26Å; G97-I101 PolarHBondContact O-N 3.43Å
98	F	97.7	Very high	96	Very high	55 Å²	55	47.3 Å²	47.3	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-48.2	178.4	179.5	-104.3	0	0	0	111.7	F52 L55 L56 T94 Y100 I101 A102	F52-F98 HydrophobicContact CD2-CE2 4.44Å; F52-F98 AromaticContact CE2-CE2 3.9Å; F52-F98 HydrophobicContact CE2-CE2 3.9Å; F52-F98 HydrophobicContact CE2-CZ 4.26Å; F52-F98 HydrophobicContact CZ-CE2 4.48Å; L55-F98 HydrophobicContact CB-CD2 4.17Å; L56-F98 HydrophobicContact CB-CE2 4.02Å; L56-F98 HydrophobicContact CD1-CE2 3.72Å; L56-F98 HydrophobicContact CD1-CZ 3.84Å; T94-F98 VanDerWaalsContact O-CB 3.28Å; T94-F98 WeakPolarHBondContact O-CB 3.35Å; T94-F98 PolarHBondContact O-N 2.83Å; F98-Y100 VanDerWaalsContact C-N 3.35Å; F98-Y100 PolarHBondContact O-N 2.94Å; F98-I101 PolarHBondContact O-N 3Å; F98-A102 WeakPolarHBondContact O-CB 3.13Å; F98-A102 PolarHBondContact O-N 3.46Å
99	T	97.5	Very high	96	Very high	93 Å²	93	47.3 Å²	47.3	57%	0.571	29%	0.285	S	S	*	.	H	α-helix	trans	-60	-45.3	179.7	-58.1	0	0	0	0	111.5	A95 G97 F103	A95-T99 VanDerWaalsContact O-CB 3.25Å; A95-T99 WeakPolarHBondContact O-CB 3.34Å; A95-T99 PolarHBondContact O-N 2.96Å; A95-T99 PolarHBondContact O-OG1 3.42Å; G97-T99 PolarHBondContact O-N 3.42Å; T99-F103 VanDerWaalsContact O-CB 3.29Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 3.2Å
100	Y	97.9	Very high	95.8	Very high	73 Å²	73	46 Å²	46	29%	0.286	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-46.7	178.8	172.9	-108.2	0	0	0	112.4	A96 G97 F98 F103 L104 H124	A96-Y100 VanDerWaalsContact O-CB 3.29Å; A96-Y100 WeakPolarHBondContact O-CB 3.31Å; A96-Y100 PolarHBondContact O-N 3.37Å; G97-Y100 PolarHBondContact O-N 2.97Å; F98-Y100 VanDerWaalsContact C-N 3.35Å; F98-Y100 PolarHBondContact O-N 2.94Å; Y100-F103 PolarHBondContact O-N 3.14Å; Y100-L104 HydrophobicContact CD1-CD1 4.38Å; Y100-L104 HydrophobicContact CE1-CD1 3.75Å; Y100-L104 HydrophobicContact CE2-CD1 4.17Å; Y100-L104 HydrophobicContact CE2-CG 4.44Å; Y100-L104 WeakPolarHBondContact O-CG 3.4Å; Y100-L104 PolarHBondContact O-N 3Å; Y100-L104 VanDerWaalsContact O-N 3.08Å; Y100-H124 AromaticContact CE2-ND1 3.87Å; Y100-H124 AromaticContact CZ-ND1 3.69Å; Y100-H124 WeakPolarHBondContact OH-CA 3.36Å; Y100-H124 PolarHBondContact OH-ND1 2.79Å
101	I	98.3	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-39.9	-179.3	-64.3	-63.6	0	0	0	111.5	L48 T51 F52 L55 G97 F98 F103 L104 M105 V128	L48-I101 HydrophobicContact CD1-CD1 4.33Å; L48-I101 HydrophobicContact CD1-CG2 4.02Å; T51-I101 HydrophobicContact CG2-CD1 4.14Å; T51-I101 HydrophobicContact CG2-CG1 4.19Å; T51-I101 HydrophobicContact CG2-CG2 4.29Å; F52-I101 HydrophobicContact CB-CG2 3.75Å; F52-I101 HydrophobicContact CD2-CG2 4.33Å; L55-I101 HydrophobicContact CD1-CB 3.92Å; L55-I101 HydrophobicContact CD1-CG1 3.58Å; L55-I101 HydrophobicContact CD1-CG2 4.27Å; G97-I101 WeakPolarHBondContact O-CB 3.14Å; G97-I101 VanDerWaalsContact O-CG1 3.24Å; G97-I101 WeakPolarHBondContact O-CG1 3.26Å; G97-I101 PolarHBondContact O-N 3.43Å; F98-I101 PolarHBondContact O-N 3Å; I101-F103 VanDerWaalsContact C-N 3.33Å; I101-F103 PolarHBondContact O-N 3.35Å; I101-L104 PolarHBondContact O-N 3.42Å; I101-M105 WeakPolarHBondContact O-CB 3.36Å; I101-M105 PolarHBondContact O-N 3.04Å; I101-V128 HydrophobicContact CD1-CB 4.24Å; I101-V128 HydrophobicContact CD1-CG2 3.73Å
102	A	97.3	Very high	95.1	Very high	21 Å²	21	43.3 Å²	43.3	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-42.4	173.7	0	0	0	0	0	111.3	F52 F98 M105 V106	F52-A102 HydrophobicContact CD2-CB 4.21Å; F52-A102 HydrophobicContact CE2-CB 3.8Å; F98-A102 WeakPolarHBondContact O-CB 3.13Å; F98-A102 PolarHBondContact O-N 3.46Å; A102-M105 WeakPolarHBondContact O-CB 3.16Å; A102-M105 PolarHBondContact O-N 2.97Å; A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 3.21Å
103	F	97.1	Very high	94.6	Very high	102 Å²	102	42 Å²	42	45%	0.447	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-45.2	175.3	177.8	-110.5	0	0	0	112.2	I22 T99 Y100 I101 M105 V106 L107	I22-F103 HydrophobicContact CG2-CE1 3.7Å; I22-F103 HydrophobicContact CG2-CZ 3.94Å; T99-F103 VanDerWaalsContact O-CB 3.29Å; T99-F103 WeakPolarHBondContact O-CB 3.38Å; T99-F103 PolarHBondContact O-N 3.2Å; Y100-F103 PolarHBondContact O-N 3.14Å; I101-F103 VanDerWaalsContact C-N 3.33Å; I101-F103 PolarHBondContact O-N 3.35Å; F103-M105 VanDerWaalsContact C-N 3.31Å; F103-M105 PolarHBondContact O-N 3.14Å; F103-V106 PolarHBondContact O-N 3.49Å; F103-L107 HydrophobicContact CD1-CD1 4.04Å; F103-L107 HydrophobicContact CE1-CD1 3.54Å; F103-L107 HydrophobicContact CE1-CG 4.37Å; F103-L107 HydrophobicContact CE2-CD1 4.42Å; F103-L107 HydrophobicContact CE2-CG 4.45Å; F103-L107 HydrophobicContact CZ-CD1 3.76Å; F103-L107 HydrophobicContact CZ-CD2 4.49Å; F103-L107 HydrophobicContact CZ-CG 4.23Å; F103-L107 WeakPolarHBondContact O-CG 3.46Å; F103-L107 PolarHBondContact O-N 3.48Å
104	L	97.1	Very high	94	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-37	174.3	-70.3	-179.2	0	0	0	112.4	Y23 L48 Y100 I101 L107 A108 L120 H124 V128	Y23-L104 HydrophobicContact CD2-CD2 4.41Å; L48-L104 HydrophobicContact CD1-CB 3.91Å; L48-L104 HydrophobicContact CD1-CD1 4.41Å; L48-L104 HydrophobicContact CD2-CB 4.17Å; Y100-L104 HydrophobicContact CD1-CD1 4.38Å; Y100-L104 HydrophobicContact CE1-CD1 3.75Å; Y100-L104 HydrophobicContact CE2-CD1 4.17Å; Y100-L104 HydrophobicContact CE2-CG 4.44Å; Y100-L104 WeakPolarHBondContact O-CG 3.4Å; Y100-L104 PolarHBondContact O-N 3Å; Y100-L104 VanDerWaalsContact O-N 3.08Å; I101-L104 PolarHBondContact O-N 3.42Å; L104-L107 HydrophobicContact CD2-CD1 4.43Å; L104-L107 PolarHBondContact O-N 3.37Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 3.27Å; L104-L120 HydrophobicContact CD2-CD1 4.41Å; L104-H124 HydrophobicContact CD1-CB 3.99Å; L104-H124 HydrophobicContact CD2-CB 4.4Å; L104-V128 HydrophobicContact CD1-CG2 3.94Å
105	M	96.4	Very high	93.1	Very high	22 Å²	22	41.8 Å²	41.8	11%	0.108	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-46.6	175.3	-173.9	54.3	66.6	0	0	111.5	L48 L49 F52 I101 A102 F103 L107 A108 L109	L48-M105 HydrophobicContact CD2-CE 4.42Å; L48-M105 HydrophobicContact CG-CE 3.86Å; L49-M105 HydrophobicContact CB-CE 3.96Å; L49-M105 HydrophobicContact CD1-CE 3.84Å; L49-M105 HydrophobicContact CD1-SD 4.34Å; F52-M105 HydrophobicContact CB-CE 3.72Å; F52-M105 HydrophobicContact CD1-CE 4.49Å; F52-M105 HydrophobicContact CD2-CB 4.29Å; F52-M105 HydrophobicContact CG-CB 4.48Å; F52-M105 HydrophobicContact CG-CE 4.16Å; F52-M105 HydrophobicContact CG-CG 4.36Å; I101-M105 WeakPolarHBondContact O-CB 3.36Å; I101-M105 PolarHBondContact O-N 3.04Å; A102-M105 WeakPolarHBondContact O-CB 3.16Å; A102-M105 PolarHBondContact O-N 2.97Å; F103-M105 VanDerWaalsContact C-N 3.31Å; F103-M105 PolarHBondContact O-N 3.14Å; M105-L107 VanDerWaalsContact C-N 3.33Å; M105-L107 PolarHBondContact O-N 3.45Å; M105-A108 WeakPolarHBondContact O-CB 3.26Å; M105-A108 PolarHBondContact O-N 3.29Å; M105-L109 WeakPolarHBondContact O-CG 3.48Å; M105-L109 PolarHBondContact O-N 3.39Å
106	V	94.8	Very high	92.3	Very high	83 Å²	83	39.9 Å²	39.9	50%	0.503	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-43.5	176.3	171.8	0	0	0	0	110.7	A102 F103 A108 L109 C110	A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 3.21Å; F103-V106 PolarHBondContact O-N 3.49Å; V106-A108 PolarHBondContact O-N 3.13Å; V106-L109 PolarHBondContact O-N 3.4Å; V106-C110 PolarHBondContact O-N 3.44Å; V106-C110 PolarHBondContact O-SG 2.83Å; V106-C110 VanDerWaalsContact O-SG 3.36Å
107	L	94.1	Very high	91.7	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-44.4	174.4	-71.7	175.5	0	0	0	111.7	I19 I22 Y23 F103 L104 M105 L109 C110 H111	I19-L107 HydrophobicContact CG2-CD2 4.44Å; I22-L107 HydrophobicContact CB-CD1 4.17Å; I22-L107 HydrophobicContact CG2-CD1 3.58Å; Y23-L107 HydrophobicContact CD2-CB 3.69Å; Y23-L107 HydrophobicContact CD2-CD1 4.44Å; Y23-L107 HydrophobicContact CE2-CB 4.47Å; Y23-L107 HydrophobicContact CG-CB 4.4Å; F103-L107 HydrophobicContact CD1-CD1 4.04Å; F103-L107 HydrophobicContact CE1-CD1 3.54Å; F103-L107 HydrophobicContact CE1-CG 4.37Å; F103-L107 HydrophobicContact CE2-CD1 4.42Å; F103-L107 HydrophobicContact CE2-CG 4.45Å; F103-L107 HydrophobicContact CZ-CD1 3.76Å; F103-L107 HydrophobicContact CZ-CD2 4.49Å; F103-L107 HydrophobicContact CZ-CG 4.23Å; F103-L107 WeakPolarHBondContact O-CG 3.46Å; F103-L107 PolarHBondContact O-N 3.48Å; L104-L107 HydrophobicContact CD2-CD1 4.43Å; L104-L107 PolarHBondContact O-N 3.37Å; M105-L107 VanDerWaalsContact C-N 3.33Å; M105-L107 PolarHBondContact O-N 3.45Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L107-L109 PolarHBondContact O-N 2.93Å; L107-C110 WeakPolarHBondContact O-CB 3.31Å; L107-C110 PolarHBondContact O-N 3.12Å; L107-C110 VanDerWaalsContact O-N 3.14Å; L107-H111 PolarHBondContact O-CD2 2.93Å; L107-H111 VanDerWaalsContact O-CD2 3.24Å; L107-H111 PolarHBondContact O-N 2.94Å
108	A	93	Very high	91.2	Very high	9 Å²	9	38.7 Å²	38.7	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-45.8	175.8	0	0	0	0	0	111.4	Y23 L48 L104 M105 V106 C110 H111 V112 L118	Y23-A108 HydrophobicContact CE2-CB 3.87Å; L48-A108 HydrophobicContact CD2-CB 4.17Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 3.27Å; M105-A108 WeakPolarHBondContact O-CB 3.26Å; M105-A108 PolarHBondContact O-N 3.29Å; V106-A108 PolarHBondContact O-N 3.13Å; A108-C110 VanDerWaalsContact C-N 3.33Å; A108-C110 PolarHBondContact O-N 2.92Å; A108-H111 WeakPolarHBondContact O-CB 3.35Å; A108-H111 PolarHBondContact O-N 3.4Å; A108-H111 VanDerWaalsContact O-N 3.16Å; A108-V112 WeakPolarHBondContact O-CG2 3.41Å; A108-V112 PolarHBondContact O-N 3.42Å; A108-L118 HydrophobicContact CB-CD2 3.9Å; A108-L118 WeakPolarHBondContact O-CD2 3.27Å
109	L	92	Very high	90.7	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-60.6	-39.9	175	-68.5	174.5	0	0	0	112.2	M105 V106 L107 V112 A113 L175 I178	M105-L109 WeakPolarHBondContact O-CG 3.48Å; M105-L109 PolarHBondContact O-N 3.39Å; V106-L109 PolarHBondContact O-N 3.4Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L107-L109 PolarHBondContact O-N 2.93Å; L109-V112 PolarHBondContact O-N 3.21Å; L109-A113 WeakPolarHBondContact O-CB 3.45Å; L109-A113 PolarHBondContact O-N 3.35Å; L109-L175 HydrophobicContact CD1-CD2 4.13Å; L109-L175 HydrophobicContact CD2-CD2 4.05Å; L109-I178 HydrophobicContact CB-CD1 4.01Å; L109-I178 HydrophobicContact CD2-CD1 4.24Å
110	C	90.6	Very high	90.5	Very high	45 Å²	45	34.1 Å²	34.1	30%	0.304	19%	0.194	S	C	.	.	H	α-helix	trans	-62.4	-41.8	173.3	-73.6	0	0	0	0	112.4	I19 V106 L107 A108 A113 L114	I19-C110 HydrophobicContact CD1-CB 4.37Å; I19-C110 HydrophobicContact CG2-CB 4.19Å; V106-C110 PolarHBondContact O-N 3.44Å; V106-C110 PolarHBondContact O-SG 2.83Å; V106-C110 VanDerWaalsContact O-SG 3.36Å; L107-C110 WeakPolarHBondContact O-CB 3.31Å; L107-C110 PolarHBondContact O-N 3.12Å; L107-C110 VanDerWaalsContact O-N 3.14Å; A108-C110 VanDerWaalsContact C-N 3.33Å; A108-C110 PolarHBondContact O-N 2.92Å; C110-A113 PolarHBondContact O-N 2.82Å; C110-L114 WeakPolarHBondContact O-CB 3.34Å; C110-L114 VanDerWaalsContact O-CG 3.25Å; C110-L114 WeakPolarHBondContact O-CG 3.42Å; C110-L114 PolarHBondContact O-N 3.33Å
111	H	87.8	Confident	90.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-46.2	173.5	-86.2	-100.9	0	0	0	111.1	I19 Y23 L107 A108 A113 L114 G115 Q116 Q117 L118	I19-H111 VanDerWaalsContact CG2-CD2 3.48Å; I19-H111 WeakPolarHBondContact CG2-CD2 3.35Å; I19-H111 PolarHBondContact O-NE2 2.92Å; I19-H111 VanDerWaalsContact O-NE2 3.1Å; Y23-H111 WeakPolarHBondContact CB-NE2 3.38Å; Y23-H111 AromaticContact CD1-NE2 3.83Å; Y23-H111 AromaticContact CG-NE2 3.76Å; L107-H111 PolarHBondContact O-CD2 2.93Å; L107-H111 VanDerWaalsContact O-CD2 3.24Å; L107-H111 PolarHBondContact O-N 2.94Å; A108-H111 WeakPolarHBondContact O-CB 3.35Å; A108-H111 PolarHBondContact O-N 3.4Å; A108-H111 VanDerWaalsContact O-N 3.16Å; H111-A113 PolarHBondContact O-N 2.93Å; H111-L114 PolarHBondContact O-N 3.25Å; H111-G115 PolarHBondContact O-N 3.03Å; H111-Q116 HydrophobicContact CB-CB 4.19Å; H111-Q116 WeakPolarHBondContact ND1-CB 3.4Å; H111-Q116 PolarHBondContact O-N 3.22Å; H111-Q117 PolarHBondContact ND1-O 2.95Å; H111-L118 HydrophobicContact CB-CD2 3.79Å
112	V	86.9	Confident	90.1	Very high	43 Å²	43	40.3 Å²	40.3	26%	0.261	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-45.1	174.6	179.1	0	0	0	0	110.9	A108 L109 L114 G115 L118 I178 Q182 R185	A108-V112 WeakPolarHBondContact O-CG2 3.41Å; A108-V112 PolarHBondContact O-N 3.42Å; L109-V112 PolarHBondContact O-N 3.21Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.5Å; V112-G115 PolarHBondContact O-N 3.21Å; V112-L118 HydrophobicContact CG2-CD1 4.05Å; V112-L118 HydrophobicContact CG2-CD2 4.12Å; V112-L118 HydrophobicContact CG2-CG 4.4Å; V112-I178 HydrophobicContact CB-CG2 4.26Å; V112-I178 HydrophobicContact CG1-CG2 3.61Å; V112-Q182 HydrophobicContact CG1-CG 4.02Å; V112-Q182 PolarHBondContact O-NE2 3.43Å; V112-R185 PolarHBondContact O-NH2 3.43Å
113	A	84.6	Confident	90	Very high	30 Å²	30	43.9 Å²	43.9	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-40.5	-179.8	0	0	0	0	0	112.2	L109 C110 H111 G115 I178 R185	L109-A113 WeakPolarHBondContact O-CB 3.45Å; L109-A113 PolarHBondContact O-N 3.35Å; C110-A113 PolarHBondContact O-N 2.82Å; H111-A113 PolarHBondContact O-N 2.93Å; A113-G115 VanDerWaalsContact C-N 3.33Å; A113-I178 HydrophobicContact CB-CD1 4.45Å; A113-I178 HydrophobicContact CB-CG1 4.17Å; A113-R185 PolarHBondContact O-NH1 2.86Å; A113-R185 PolarHBondContact O-NH2 3.39Å
114	L	82.8	Confident	90	Very high	65 Å²	65	40.2 Å²	40.2	34%	0.34	22%	0.218	S	C	.	.	H	α-helix	trans	-81.9	-8.7	-179.8	-63.9	170.8	0	0	0	113.9	L16 I19 R32 C110 H111 V112 Q116	L16-L114 HydrophobicContact CD1-CB 4.46Å; L16-L114 HydrophobicContact CD1-CD1 3.8Å; I19-L114 HydrophobicContact CD1-CD1 3.77Å; R32-L114 PolarHBondContact NH2-O 2.93Å; C110-L114 WeakPolarHBondContact O-CB 3.34Å; C110-L114 VanDerWaalsContact O-CG 3.25Å; C110-L114 WeakPolarHBondContact O-CG 3.42Å; C110-L114 PolarHBondContact O-N 3.33Å; H111-L114 PolarHBondContact O-N 3.25Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.5Å; L114-Q116 HydrophobicContact CB-CG 4.04Å
115	G	78.1	Confident	90	Very high	35 Å²	35	41.8 Å²	41.8	36%	0.361	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	36.6	-175.7	0	0	0	0	0	112.4	H111 V112 A113	H111-G115 PolarHBondContact O-N 3.03Å; V112-G115 PolarHBondContact O-N 3.21Å; A113-G115 VanDerWaalsContact C-N 3.33Å
116	Q	81.3	Confident	90	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.051	24%	0.243	C	C	.	.			trans	-96.7	158.7	175.7	-63.6	-54.6	-55.9	0	0	111.4	L16 Y30 H111 L114	L16-Q116 HydrophobicContact CD1-CG 3.74Å; Y30-Q116 VanDerWaalsContact CE1-OE1 3.31Å; H111-Q116 HydrophobicContact CB-CB 4.19Å; H111-Q116 WeakPolarHBondContact ND1-CB 3.4Å; H111-Q116 PolarHBondContact O-N 3.22Å; L114-Q116 HydrophobicContact CB-CG 4.04Å
117	Q	83.2	Confident	90.1	Very high	30 Å²	30	42.1 Å²	42.1	14%	0.14	23%	0.228	C	C	.	.			trans	-68.8	134.3	173.6	-63.7	-178.6	-35.8	0	0	112	R26 S33 D35 N36 H111 N119	R26-Q117 VanDerWaalsContact NH1-OE1 3.17Å; R26-Q117 PolarHBondContact NH2-O 2.89Å; S33-Q117 PolarHBondContact OG-NE2 2.62Å; D35-Q117 VanDerWaalsContact C-NE2 3.35Å; D35-Q117 WeakPolarHBondContact O-CG 3.39Å; D35-Q117 PolarHBondContact O-NE2 2.96Å; N36-Q117 PolarHBondContact O-NE2 2.88Å; H111-Q117 PolarHBondContact ND1-O 2.95Å; Q117-N119 PolarHBondContact O-N 2.98Å
118	L	87.3	Confident	90.3	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.11	23%	0.225	C	C	.	.			trans	-76.9	55.6	175.1	-66.9	167.1	0	0	0	112.3	T37 E41 S45 A108 H111 V112 L120	T37-L118 HydrophobicContact CG2-CB 4.09Å; E41-L118 WeakPolarHBondContact CB-O 3.45Å; S45-L118 WeakPolarHBondContact OG-CB 3.33Å; S45-L118 WeakPolarHBondContact OG-CD1 3.29Å; A108-L118 HydrophobicContact CB-CD2 3.9Å; A108-L118 WeakPolarHBondContact O-CD2 3.27Å; H111-L118 HydrophobicContact CB-CD2 3.79Å; V112-L118 HydrophobicContact CG2-CD1 4.05Å; V112-L118 HydrophobicContact CG2-CD2 4.12Å; V112-L118 HydrophobicContact CG2-CG 4.4Å; L118-L120 PolarHBondContact O-N 3.18Å
119	N	87.8	Confident	90.6	Very high	51 Å²	51	43.6 Å²	43.6	27%	0.273	24%	0.236	S	C	.	.			trans	-82.4	97.7	177.9	-172.3	-14.3	0	0	0	110.4	Y23 G24 Q117	Y23-N119 VanDerWaalsContact CD1-O 3.25Å; Y23-N119 WeakPolarHBondContact CD1-O 3.48Å; G24-N119 WeakPolarHBondContact CA-O 3.29Å; Q117-N119 PolarHBondContact O-N 2.98Å
120	L	92.4	Very high	90.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.24	C	C	.	.			trans	-81.3	123.3	179.5	-173.6	68.7	0	0	0	109.2	Y23 E41 L104 L118 H124 K125 V128	Y23-L120 HydrophobicContact CD1-CD1 4.44Å; Y23-L120 HydrophobicContact CD2-CD1 4Å; Y23-L120 HydrophobicContact CE1-CB 3.93Å; Y23-L120 HydrophobicContact CE1-CD1 4.01Å; Y23-L120 HydrophobicContact CE2-CD1 3.53Å; Y23-L120 HydrophobicContact CG-CD1 4.44Å; E41-L120 PolarHBondContact OE2-N 3.04Å; L104-L120 HydrophobicContact CD2-CD1 4.41Å; L118-L120 PolarHBondContact O-N 3.18Å; L120-H124 HydrophobicContact CD1-CB 3.56Å; L120-H124 HydrophobicContact CD2-CB 4.38Å; L120-H124 HydrophobicContact CG-CB 3.83Å; L120-K125 HydrophobicContact CB-CG 4.38Å; L120-K125 HydrophobicContact CD2-CG 3.86Å; L120-K125 HydrophobicContact CG-CG 4.09Å; L120-K125 WeakPolarHBondContact O-CE 3.01Å; L120-K125 PolarHBondContact O-NZ 2.9Å; L120-V128 HydrophobicContact CD2-CG2 4.26Å
121	H	93.5	Very high	91.2	Very high	41 Å²	41	41.6 Å²	41.6	19%	0.19	23%	0.231	C	C	.	.			trans	-59.4	147.4	-180	-170.9	-107.1	0	0	0	111.8	Y23 C25 L123 H124 K125	Y23-H121 PolarHBondContact O-N 2.73Å; C25-H121 VanDerWaalsContact CB-CD2 3.42Å; C25-H121 WeakPolarHBondContact CB-CD2 3.34Å; C25-H121 PolarHBondContact SG-CD2 3.21Å; C25-H121 VanDerWaalsContact SG-CG 3.54Å; H121-L123 VanDerWaalsContact ND1-CB 3.35Å; H121-L123 WeakPolarHBondContact ND1-CB 3.45Å; H121-L123 PolarHBondContact ND1-N 3.29Å; H121-L123 PolarHBondContact O-N 3.33Å; H121-H124 WeakPolarHBondContact O-CA 3.43Å; H121-H124 WeakPolarHBondContact O-CB 3.4Å; H121-H124 PolarHBondContact O-N 3.33Å; H121-K125 PolarHBondContact O-N 3.26Å
122	W	94.1	Very high	91.6	Very high	163 Å²	163	42.9 Å²	42.9	62%	0.617	24%	0.238	S	C	*	.	H	α-helix	trans	-58.8	-34.3	-176.9	71.2	-89.3	0	0	0	113.3	H124 K125 I126	W122-H124 VanDerWaalsContact C-N 3.32Å; W122-H124 PolarHBondContact O-N 3.41Å; W122-K125 WeakPolarHBondContact O-CB 3.45Å; W122-K125 PolarHBondContact O-N 3.4Å; W122-I126 HydrophobicContact CE3-CD1 3.5Å; W122-I126 VanDerWaalsContact CE3-CD1 3.5Å; W122-I126 HydrophobicContact CE3-CG1 4.43Å; W122-I126 HydrophobicContact CZ3-CD1 3.41Å; W122-I126 VanDerWaalsContact CZ3-CD1 3.41Å; W122-I126 WeakPolarHBondContact O-CG1 3.39Å; W122-I126 PolarHBondContact O-N 2.92Å
123	L	95.3	Very high	92.2	Very high	96 Å²	96	45.8 Å²	45.8	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-41.5	173.6	-169.4	76.9	0	0	0	111.5	H121 I126 G127	H121-L123 VanDerWaalsContact ND1-CB 3.35Å; H121-L123 WeakPolarHBondContact ND1-CB 3.45Å; H121-L123 PolarHBondContact ND1-N 3.29Å; H121-L123 PolarHBondContact O-N 3.33Å; L123-I126 WeakPolarHBondContact O-CB 3.41Å; L123-I126 PolarHBondContact O-N 3.07Å; L123-G127 PolarHBondContact O-N 3.21Å
124	H	96.7	Very high	92.7	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.111	27%	0.267	C	S	.	.	H	α-helix	trans	-70.3	-35.9	176.7	-63.6	-50.2	0	0	0	112	I22 Y23 Y100 L104 L120 H121 W122 I126 G127 V128	I22-H124 PolarHBondContact O-NE2 3.31Å; Y23-H124 PolarHBondContact O-CD2 2.87Å; Y100-H124 AromaticContact CE2-ND1 3.87Å; Y100-H124 AromaticContact CZ-ND1 3.69Å; Y100-H124 WeakPolarHBondContact OH-CA 3.36Å; Y100-H124 PolarHBondContact OH-ND1 2.79Å; L104-H124 HydrophobicContact CD1-CB 3.99Å; L104-H124 HydrophobicContact CD2-CB 4.4Å; L120-H124 HydrophobicContact CD1-CB 3.56Å; L120-H124 HydrophobicContact CD2-CB 4.38Å; L120-H124 HydrophobicContact CG-CB 3.83Å; H121-H124 WeakPolarHBondContact O-CA 3.43Å; H121-H124 WeakPolarHBondContact O-CB 3.4Å; H121-H124 PolarHBondContact O-N 3.33Å; W122-H124 VanDerWaalsContact C-N 3.32Å; W122-H124 PolarHBondContact O-N 3.41Å; H124-I126 VanDerWaalsContact C-N 3.28Å; H124-I126 PolarHBondContact O-N 2.9Å; H124-G127 PolarHBondContact O-N 3.45Å; H124-G127 VanDerWaalsContact O-N 3.14Å; H124-V128 WeakPolarHBondContact O-CB 3.47Å; H124-V128 VanDerWaalsContact O-CG2 3.25Å; H124-V128 WeakPolarHBondContact O-CG2 3.43Å; H124-V128 PolarHBondContact O-N 3.28Å
125	K	97.1	Very high	93.4	Very high	33 Å²	33	46 Å²	46	14%	0.143	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-42.7	172.2	-68	173.5	172.4	155.3	0	111.4	E41 W44 L120 H121 W122 T129	E41-K125 IonicContact OE1-NZ 2.85Å; E41-K125 PolarHBondContact OE1-NZ 3.32Å; E41-K125 IonicContact OE2-NZ 3.13Å; E41-K125 PolarHBondContact OE2-NZ 3.4Å; W44-K125 VanDerWaalsContact CD1-CE 3.43Å; W44-K125 HydrophobicContact CD2-CB 4.25Å; W44-K125 HydrophobicContact CD2-CD 3.89Å; W44-K125 HydrophobicContact CD2-CG 3.67Å; W44-K125 HydrophobicContact CE3-CB 4.06Å; W44-K125 HydrophobicContact CE3-CG 3.81Å; W44-K125 HydrophobicContact CG-CD 4.1Å; W44-K125 HydrophobicContact CG-CG 4.18Å; W44-K125 HydrophobicContact CH2-CB 3.73Å; W44-K125 HydrophobicContact CH2-CG 4.24Å; W44-K125 HydrophobicContact CZ2-CB 3.92Å; W44-K125 HydrophobicContact CZ2-CD 4.12Å; W44-K125 HydrophobicContact CZ2-CG 4.11Å; W44-K125 HydrophobicContact CZ3-CB 3.8Å; W44-K125 HydrophobicContact CZ3-CG 4.09Å; L120-K125 HydrophobicContact CB-CG 4.38Å; L120-K125 HydrophobicContact CD2-CG 3.86Å; L120-K125 HydrophobicContact CG-CG 4.09Å; L120-K125 WeakPolarHBondContact O-CE 3.01Å; L120-K125 PolarHBondContact O-NZ 2.9Å; H121-K125 PolarHBondContact O-N 3.26Å; W122-K125 WeakPolarHBondContact O-CB 3.45Å; W122-K125 PolarHBondContact O-N 3.4Å; K125-T129 WeakPolarHBondContact O-CB 3.32Å; K125-T129 PolarHBondContact O-N 2.05Å; K125-T129 PolarHBondContact O-OG1 3.44Å
126	I	97.2	Very high	94.4	Very high	95 Å²	95	47.3 Å²	47.3	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-51.2	172.9	-66.3	171.9	0	0	0	110.5	W122 L123 H124 V128 T129 A130	W122-I126 HydrophobicContact CE3-CD1 3.5Å; W122-I126 VanDerWaalsContact CE3-CD1 3.5Å; W122-I126 HydrophobicContact CE3-CG1 4.43Å; W122-I126 HydrophobicContact CZ3-CD1 3.41Å; W122-I126 VanDerWaalsContact CZ3-CD1 3.41Å; W122-I126 WeakPolarHBondContact O-CG1 3.39Å; W122-I126 PolarHBondContact O-N 2.92Å; L123-I126 WeakPolarHBondContact O-CB 3.41Å; L123-I126 PolarHBondContact O-N 3.07Å; H124-I126 VanDerWaalsContact C-N 3.28Å; H124-I126 PolarHBondContact O-N 2.9Å; I126-V128 VanDerWaalsContact C-N 3.34Å; I126-V128 PolarHBondContact O-N 3.21Å; I126-T129 PolarHBondContact O-N 2.81Å; I126-T129 VanDerWaalsContact O-N 3.16Å; I126-A130 WeakPolarHBondContact O-CB 3.42Å; I126-A130 PolarHBondContact O-N 3.3Å
127	G	97.1	Very high	95.1	Very high	17 Å²	17	51 Å²	51	18%	0.175	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-40.3	179.6	0	0	0	0	0	113.7	L123 H124 S131	L123-G127 PolarHBondContact O-N 3.21Å; H124-G127 PolarHBondContact O-N 3.45Å; H124-G127 VanDerWaalsContact O-N 3.14Å; G127-S131 WeakPolarHBondContact O-CB 3.46Å; G127-S131 PolarHBondContact O-N 2.8Å; G127-S131 PolarHBondContact O-OG 2.88Å
128	V	98	Very high	95.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-43.5	174.9	172.7	0	0	0	0	111	I47 L48 T51 I101 L104 L120 H124 I126 L132	I47-V128 HydrophobicContact CG2-CG1 3.9Å; L48-V128 HydrophobicContact CD1-CG2 3.71Å; T51-V128 HydrophobicContact CG2-CG1 4.47Å; I101-V128 HydrophobicContact CD1-CB 4.24Å; I101-V128 HydrophobicContact CD1-CG2 3.73Å; L104-V128 HydrophobicContact CD1-CG2 3.94Å; L120-V128 HydrophobicContact CD2-CG2 4.26Å; H124-V128 WeakPolarHBondContact O-CB 3.47Å; H124-V128 VanDerWaalsContact O-CG2 3.25Å; H124-V128 WeakPolarHBondContact O-CG2 3.43Å; H124-V128 PolarHBondContact O-N 3.28Å; I126-V128 VanDerWaalsContact C-N 3.34Å; I126-V128 PolarHBondContact O-N 3.21Å; V128-L132 VanDerWaalsContact O-CB 3.29Å; V128-L132 WeakPolarHBondContact O-CB 3.44Å; V128-L132 PolarHBondContact O-N 3.19Å
129	T	97.8	Very high	96.1	Very high	52 Å²	52	51.3 Å²	51.3	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-67	-45.3	179.2	-54.6	0	0	0	0	111.1	W44 K125 I126 L132 L133	W44-T129 WeakPolarHBondContact CH2-OG1 3.45Å; K125-T129 WeakPolarHBondContact O-CB 3.32Å; K125-T129 PolarHBondContact O-N 2.05Å; K125-T129 PolarHBondContact O-OG1 3.44Å; I126-T129 PolarHBondContact O-N 2.81Å; I126-T129 VanDerWaalsContact O-N 3.16Å; T129-L132 PolarHBondContact O-N 3.35Å; T129-L133 HydrophobicContact CG2-CD1 4.01Å; T129-L133 HydrophobicContact CG2-CG 4.41Å; T129-L133 WeakPolarHBondContact O-CB 3.36Å; T129-L133 WeakPolarHBondContact O-CG 3.39Å; T129-L133 PolarHBondContact O-N 3.03Å
130	A	97.6	Very high	96.5	Very high	49 Å²	49	52.8 Å²	52.8	41%	0.405	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-49.4	176.9	0	0	0	0	0	110.7	I126 L132 L133 T134	I126-A130 WeakPolarHBondContact O-CB 3.42Å; I126-A130 PolarHBondContact O-N 3.3Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 PolarHBondContact O-N 3.43Å; A130-L133 PolarHBondContact O-N 2.69Å; A130-T134 WeakPolarHBondContact O-CG2 3.17Å; A130-T134 PolarHBondContact O-N 2.93Å; A130-T134 PolarHBondContact O-OG1 3.27Å; A130-T134 VanDerWaalsContact O-OG1 3.05Å
131	S	97.7	Very high	96.5	Very high	16 Å²	16	55.4 Å²	55.4	11%	0.112	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-39	178.5	-53.5	0	0	0	0	112.1	G127 T134 T135	G127-S131 WeakPolarHBondContact O-CB 3.46Å; G127-S131 PolarHBondContact O-N 2.8Å; G127-S131 PolarHBondContact O-OG 2.88Å; S131-T134 WeakPolarHBondContact CA-OG1 3.09Å; S131-T134 PolarHBondContact O-OG1 2.83Å; S131-T134 VanDerWaalsContact O-OG1 3.07Å; S131-T135 WeakPolarHBondContact O-CB 3Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.1Å
132	L	98	Very high	96.5	Very high	28 Å²	28	53.8 Å²	53.8	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-50	176.9	-180	57.9	0	0	0	111.6	I47 F50 T51 L54 V128 T129 A130 T135 I136	I47-L132 HydrophobicContact CG2-CD2 4.21Å; F50-L132 HydrophobicContact CD1-CD1 3.81Å; F50-L132 HydrophobicContact CD1-CD2 4.46Å; F50-L132 HydrophobicContact CE1-CD1 3.78Å; T51-L132 HydrophobicContact CG2-CB 4Å; L54-L132 HydrophobicContact CD2-CD1 3.84Å; V128-L132 VanDerWaalsContact O-CB 3.29Å; V128-L132 WeakPolarHBondContact O-CB 3.44Å; V128-L132 PolarHBondContact O-N 3.19Å; T129-L132 PolarHBondContact O-N 3.35Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 PolarHBondContact O-N 3.43Å; L132-T135 PolarHBondContact O-N 2.97Å; L132-I136 HydrophobicContact CD1-CD1 3.85Å; L132-I136 HydrophobicContact CD1-CG1 4.23Å; L132-I136 HydrophobicContact CG-CD1 3.9Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 3.39Å
133	L	97.7	Very high	96.5	Very high	104 Å²	104	50 Å²	50	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-44.7	-179.5	-70.7	174.4	0	0	0	111.6	T129 A130 T135 I136 V137	T129-L133 HydrophobicContact CG2-CD1 4.01Å; T129-L133 HydrophobicContact CG2-CG 4.41Å; T129-L133 WeakPolarHBondContact O-CB 3.36Å; T129-L133 WeakPolarHBondContact O-CG 3.39Å; T129-L133 PolarHBondContact O-N 3.03Å; A130-L133 PolarHBondContact O-N 2.69Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.3Å; L133-I136 PolarHBondContact O-N 3.05Å; L133-V137 WeakPolarHBondContact O-CB 3.43Å; L133-V137 VanDerWaalsContact O-CG2 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.07Å; L133-V137 PolarHBondContact O-N 3.2Å
134	T	96.7	Very high	96.3	Very high	94 Å²	94	52.3 Å²	52.3	58%	0.577	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-39	177.9	54.9	0	0	0	0	111.7	A130 S131 V137 G138	A130-T134 WeakPolarHBondContact O-CG2 3.17Å; A130-T134 PolarHBondContact O-N 2.93Å; A130-T134 PolarHBondContact O-OG1 3.27Å; A130-T134 VanDerWaalsContact O-OG1 3.05Å; S131-T134 WeakPolarHBondContact CA-OG1 3.09Å; S131-T134 PolarHBondContact O-OG1 2.83Å; S131-T134 VanDerWaalsContact O-OG1 3.07Å; T134-V137 PolarHBondContact O-N 3.24Å; T134-G138 PolarHBondContact O-N 2.82Å
135	T	97.6	Very high	95.9	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-44.2	176.7	-52.2	0	0	0	0	111.5	L54 L55 W58 S131 L132 L133 V137 G138 I139	L54-T135 HydrophobicContact CD2-CG2 3.78Å; L54-T135 HydrophobicContact CG-CG2 3.77Å; L55-T135 HydrophobicContact CD2-CG2 4.19Å; L55-T135 WeakPolarHBondContact CD2-OG1 3.24Å; L55-T135 HydrophobicContact CG-CG2 4.44Å; W58-T135 HydrophobicContact CB-CG2 3.83Å; W58-T135 HydrophobicContact CD2-CG2 4.46Å; W58-T135 HydrophobicContact CG-CG2 3.87Å; S131-T135 WeakPolarHBondContact O-CB 3Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.1Å; L132-T135 PolarHBondContact O-N 2.97Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 3.3Å; T135-V137 VanDerWaalsContact C-N 3.35Å; T135-V137 PolarHBondContact O-N 3.36Å; T135-G138 PolarHBondContact O-N 3.33Å; T135-I139 HydrophobicContact CG2-CD1 3.99Å; T135-I139 HydrophobicContact CG2-CG1 4.5Å; T135-I139 WeakPolarHBondContact O-CG1 3.49Å; T135-I139 PolarHBondContact O-N 3.06Å
136	I	97.7	Very high	95.5	Very high	64 Å²	64	53.8 Å²	53.8	33%	0.328	31%	0.31	S	S	.	.	H	α-helix	trans	-60.5	-46	176.1	-71	169.4	0	0	0	110.6	L54 L132 L133 I139 I140	L54-I136 HydrophobicContact CD2-CG1 3.85Å; L132-I136 HydrophobicContact CD1-CD1 3.85Å; L132-I136 HydrophobicContact CD1-CG1 4.23Å; L132-I136 HydrophobicContact CG-CD1 3.9Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 3.39Å; L133-I136 PolarHBondContact O-N 3.05Å; I136-I139 PolarHBondContact O-N 3.47Å; I136-I140 HydrophobicContact CG2-CD1 3.73Å; I136-I140 HydrophobicContact CG2-CG1 4.48Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.21Å
137	V	97.1	Very high	95.2	Very high	88 Å²	88	52.9 Å²	52.9	53%	0.533	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-46.2	176.5	171.1	0	0	0	0	110.4	L133 T134 T135 I139 I140 S141	L133-V137 WeakPolarHBondContact O-CB 3.43Å; L133-V137 VanDerWaalsContact O-CG2 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.07Å; L133-V137 PolarHBondContact O-N 3.2Å; T134-V137 PolarHBondContact O-N 3.24Å; T135-V137 VanDerWaalsContact C-N 3.35Å; T135-V137 PolarHBondContact O-N 3.36Å; V137-I139 PolarHBondContact O-N 2.84Å; V137-I140 PolarHBondContact O-N 3.48Å; V137-S141 WeakPolarHBondContact O-CB 3.38Å; V137-S141 PolarHBondContact O-N 3.17Å; V137-S141 PolarHBondContact O-OG 2.88Å; V137-S141 VanDerWaalsContact O-OG 3.09Å
138	G	95	Very high	94.7	Very high	17 Å²	17	57.9 Å²	57.9	18%	0.175	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-46.1	177.4	0	0	0	0	0	113.1	W58 T134 T135 S141 V142	W58-G138 WeakPolarHBondContact CH2-O 3.48Å; T134-G138 PolarHBondContact O-N 2.82Å; T135-G138 PolarHBondContact O-N 3.33Å; G138-S141 PolarHBondContact O-N 2.97Å; G138-V142 PolarHBondContact O-N 3.15Å
139	I	95.6	Very high	94.4	Very high	40 Å²	40	58 Å²	58	21%	0.205	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-45.6	176.6	-70.2	169	0	0	0	111	L54 W58 T135 I136 V137 S141 V142 N143 W150	L54-I139 HydrophobicContact CD1-CD1 3.52Å; L54-I139 HydrophobicContact CD2-CD1 4.2Å; L54-I139 HydrophobicContact CG-CD1 3.85Å; W58-I139 HydrophobicContact CD2-CG1 4.23Å; W58-I139 HydrophobicContact CE3-CD1 4.4Å; W58-I139 HydrophobicContact CE3-CG1 3.47Å; W58-I139 VanDerWaalsContact CE3-CG1 3.47Å; W58-I139 HydrophobicContact CZ3-CB 4.41Å; W58-I139 HydrophobicContact CZ3-CG1 3.74Å; T135-I139 HydrophobicContact CG2-CD1 3.99Å; T135-I139 HydrophobicContact CG2-CG1 4.5Å; T135-I139 WeakPolarHBondContact O-CG1 3.49Å; T135-I139 PolarHBondContact O-N 3.06Å; I136-I139 PolarHBondContact O-N 3.47Å; V137-I139 PolarHBondContact O-N 2.84Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.85Å; I139-V142 PolarHBondContact O-N 3.32Å; I139-N143 VanDerWaalsContact O-CB 3.27Å; I139-N143 WeakPolarHBondContact O-CB 3.23Å; I139-N143 PolarHBondContact O-N 3.07Å; I139-W150 HydrophobicContact CG2-CH2 4.36Å; I139-W150 HydrophobicContact CG2-CZ2 4.1Å
140	I	96.4	Very high	94.1	Very high	83 Å²	83	58.4 Å²	58.4	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-43.7	178.1	-68.9	167.5	0	0	0	110.4	I136 V137 N143 Q144	I136-I140 HydrophobicContact CG2-CD1 3.73Å; I136-I140 HydrophobicContact CG2-CG1 4.48Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.21Å; V137-I140 PolarHBondContact O-N 3.48Å; I140-N143 PolarHBondContact O-N 3.45Å; I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I140-Q144 PolarHBondContact O-N 2.92Å
141	S	93.4	Very high	93.9	Very high	55 Å²	55	59.3 Å²	59.3	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-53.1	178	-66.8	0	0	0	0	111.3	V137 G138 I139 N143 Q144 T145	V137-S141 WeakPolarHBondContact O-CB 3.38Å; V137-S141 PolarHBondContact O-N 3.17Å; V137-S141 PolarHBondContact O-OG 2.88Å; V137-S141 VanDerWaalsContact O-OG 3.09Å; G138-S141 PolarHBondContact O-N 2.97Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.85Å; S141-N143 VanDerWaalsContact C-N 3.3Å; S141-N143 PolarHBondContact O-N 3.44Å; S141-Q144 PolarHBondContact O-N 2.86Å; S141-Q144 VanDerWaalsContact O-N 3.08Å; S141-T145 PolarHBondContact O-N 3.18Å; S141-T145 PolarHBondContact O-OG1 3.01Å
142	V	92.6	Very high	93.7	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-43.2	177.1	169.1	0	0	0	0	111.2	W58 F61 W62 G138 I139 Q144 T145 W146 T147 W150	W58-V142 HydrophobicContact CH2-CB 4.4Å; W58-V142 HydrophobicContact CH2-CG2 3.61Å; W58-V142 HydrophobicContact CZ3-CB 4.38Å; W58-V142 HydrophobicContact CZ3-CG2 4.01Å; F61-V142 HydrophobicContact CE1-CG1 4.06Å; F61-V142 HydrophobicContact CE1-CG2 4.4Å; F61-V142 HydrophobicContact CE2-CG1 4.4Å; F61-V142 HydrophobicContact CZ-CG1 3.67Å; W62-V142 HydrophobicContact CZ2-CG2 4.26Å; G138-V142 PolarHBondContact O-N 3.15Å; I139-V142 PolarHBondContact O-N 3.32Å; V142-Q144 VanDerWaalsContact C-N 3.25Å; V142-Q144 PolarHBondContact O-N 3.35Å; V142-T145 PolarHBondContact O-N 3.2Å; V142-W146 CarbonylContact O-C 3.55Å; V142-W146 WeakPolarHBondContact O-CA 3.47Å; V142-W146 PolarHBondContact O-N 3.42Å; V142-T147 PolarHBondContact O-N 3.02Å; V142-W150 HydrophobicContact CG1-CZ2 4.12Å
143	N	94.1	Very high	93.5	Very high	82 Å²	82	58.8 Å²	58.8	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-28.9	178.5	-174.7	75	0	0	0	113.8	I139 I140 S141 T147	I139-N143 VanDerWaalsContact O-CB 3.27Å; I139-N143 WeakPolarHBondContact O-CB 3.23Å; I139-N143 PolarHBondContact O-N 3.07Å; I140-N143 PolarHBondContact O-N 3.45Å; S141-N143 VanDerWaalsContact C-N 3.3Å; S141-N143 PolarHBondContact O-N 3.44Å; N143-T147 PolarHBondContact O-OG1 3.43Å
144	Q	92	Very high	93.3	Very high	146 Å²	146	57.1 Å²	57.1	68%	0.682	31%	0.313	S	S	*	.	H	α-helix	trans	-86.8	-35.6	178.3	-73.4	178.6	-9.9	0	0	113.1	I140 S141 V142	I140-Q144 WeakPolarHBondContact O-CG 3.49Å; I140-Q144 PolarHBondContact O-N 2.92Å; S141-Q144 PolarHBondContact O-N 2.86Å; S141-Q144 VanDerWaalsContact O-N 3.08Å; V142-Q144 VanDerWaalsContact C-N 3.25Å; V142-Q144 PolarHBondContact O-N 3.35Å
145	T	88.1	Confident	93.2	Very high	71 Å²	71	54 Å²	54	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-101.8	-26.4	-171.5	60	0	0	0	0	113.8	F75 S141 V142	F75-T145 HydrophobicContact CZ-CG2 4.24Å; S141-T145 PolarHBondContact O-N 3.18Å; S141-T145 PolarHBondContact O-OG1 3.01Å; V142-T145 PolarHBondContact O-N 3.2Å
146	W	88.6	Confident	93	Very high	17 Å²	17	53.9 Å²	53.9	6%	0.064	29%	0.292	C	S	.	.			trans	-145.1	47.7	-168.9	-153.3	27.8	0	0	0	110.9	D68 F72 V142 Q148 E149	D68-W146 HydrophobicContact CB-CH2 4.06Å; D68-W146 HydrophobicContact CB-CZ2 3.89Å; F72-W146 HydrophobicContact CB-CE3 4.41Å; F72-W146 HydrophobicContact CB-CH2 3.58Å; F72-W146 HydrophobicContact CB-CZ2 3.82Å; F72-W146 HydrophobicContact CB-CZ3 3.88Å; F72-W146 AromaticContact CD2-CD2 3.91Å; F72-W146 HydrophobicContact CD2-CD2 3.91Å; F72-W146 AromaticContact CD2-CE3 3.48Å; F72-W146 HydrophobicContact CD2-CE3 3.48Å; F72-W146 VanDerWaalsContact CD2-CE3 3.48Å; F72-W146 HydrophobicContact CD2-CH2 4.21Å; F72-W146 AromaticContact CD2-CZ3 3.66Å; F72-W146 HydrophobicContact CD2-CZ3 3.66Å; F72-W146 HydrophobicContact CE2-CE3 4.15Å; F72-W146 HydrophobicContact CG-CE3 4.28Å; F72-W146 HydrophobicContact CG-CH2 4.22Å; F72-W146 AromaticContact CG-CZ3 3.99Å; F72-W146 HydrophobicContact CG-CZ3 3.99Å; V142-W146 CarbonylContact O-C 3.55Å; V142-W146 WeakPolarHBondContact O-CA 3.47Å; V142-W146 PolarHBondContact O-N 3.42Å; W146-Q148 VanDerWaalsContact C-N 3.28Å; W146-Q148 PolarHBondContact O-N 2.89Å; W146-E149 HydrophobicContact CD2-CB 4.2Å; W146-E149 HydrophobicContact CD2-CG 3.13Å; W146-E149 VanDerWaalsContact CE2-OE1 3.29Å; W146-E149 HydrophobicContact CE3-CB 4.26Å; W146-E149 HydrophobicContact CE3-CG 3.56Å; W146-E149 HydrophobicContact CG-CG 3.59Å; W146-E149 HydrophobicContact CH2-CG 3.66Å; W146-E149 VanDerWaalsContact CZ2-CD 3.45Å; W146-E149 HydrophobicContact CZ2-CG 3.3Å; W146-E149 HydrophobicContact CZ3-CB 4.45Å; W146-E149 HydrophobicContact CZ3-CG 3.8Å; W146-E149 VanDerWaalsContact NE1-CG 3.29Å; W146-E149 PolarHBondContact NE1-OE1 3.38Å; W146-E149 PolarHBondContact O-N 3.1Å
147	T	90.1	Very high	92.9	Very high	76 Å²	76	54.4 Å²	54.4	47%	0.466	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-59.5	-34.5	-172.4	-40.3	0	0	0	0	113.6	V142 N143 E149 W150	V142-T147 PolarHBondContact O-N 3.02Å; N143-T147 PolarHBondContact O-OG1 3.43Å; T147-E149 PolarHBondContact O-N 2.87Å; T147-W150 VanDerWaalsContact O-CD1 3.29Å; T147-W150 PolarHBondContact O-N 3.32Å
148	Q	87.7	Confident	92.7	Very high	122 Å²	122	52.7 Å²	52.7	57%	0.57	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20.9	-174.2	-63.9	-179.7	7	0	0	112.8	W146 W150 D151 N435	W146-Q148 VanDerWaalsContact C-N 3.28Å; W146-Q148 PolarHBondContact O-N 2.89Å; Q148-W150 PolarHBondContact O-N 3.45Å; Q148-D151 VanDerWaalsContact O-CB 3.31Å; Q148-D151 WeakPolarHBondContact O-CB 3.41Å; Q148-D151 VanDerWaalsContact O-CG 3.28Å; Q148-D151 PolarHBondContact O-N 3.18Å; Q148-D151 VanDerWaalsContact O-OD2 3.13Å; Q148-N435 PolarHBondContact O-ND2 2.96Å
149	E	90.5	Very high	92.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-74.8	-14.3	178.8	-56.1	-43	140	0	0	114.3	F61 W146 T147 D151 I152 R433 Y434	F61-E149 HydrophobicContact CE2-CB 4.05Å; F61-E149 HydrophobicContact CZ-CB 4.06Å; W146-E149 HydrophobicContact CD2-CB 4.2Å; W146-E149 HydrophobicContact CD2-CG 3.13Å; W146-E149 VanDerWaalsContact CE2-OE1 3.29Å; W146-E149 HydrophobicContact CE3-CB 4.26Å; W146-E149 HydrophobicContact CE3-CG 3.56Å; W146-E149 HydrophobicContact CG-CG 3.59Å; W146-E149 HydrophobicContact CH2-CG 3.66Å; W146-E149 VanDerWaalsContact CZ2-CD 3.45Å; W146-E149 HydrophobicContact CZ2-CG 3.3Å; W146-E149 HydrophobicContact CZ3-CB 4.45Å; W146-E149 HydrophobicContact CZ3-CG 3.8Å; W146-E149 VanDerWaalsContact NE1-CG 3.29Å; W146-E149 PolarHBondContact NE1-OE1 3.38Å; W146-E149 PolarHBondContact O-N 3.1Å; T147-E149 PolarHBondContact O-N 2.87Å; E149-D151 PolarHBondContact O-N 3.03Å; E149-I152 WeakPolarHBondContact O-CB 3.25Å; E149-I152 WeakPolarHBondContact O-CG2 3.41Å; E149-I152 PolarHBondContact O-N 2.85Å; E149-R433 IonicContact OE1-CZ 3.93Å; E149-R433 IonicContact OE1-NH1 3.7Å; E149-R433 IonicContact OE1-NH2 2.7Å; E149-R433 PolarHBondContact OE1-NH2 3.21Å; E149-R433 IonicContact OE2-CZ 2.73Å; E149-R433 IonicContact OE2-NH1 3.37Å; E149-R433 PolarHBondContact OE2-NH1 3.41Å; E149-R433 IonicContact OE2-NH2 3.25Å; E149-R433 PolarHBondContact OE2-NH2 3.48Å; E149-Y434 PolarHBondContact OE2-OH 2.95Å
150	W	92.8	Very high	92.5	Very high	61 Å²	61	51.7 Å²	51.7	23%	0.231	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.4	-20.3	171.2	-71.3	112	0	0	0	112	F61 I139 V142 T147 Q148 I152 I153 P154	F61-W150 HydrophobicContact CB-CZ3 4.38Å; F61-W150 HydrophobicContact CD2-CD2 4.45Å; F61-W150 AromaticContact CD2-CE3 3.81Å; F61-W150 HydrophobicContact CD2-CE3 3.81Å; F61-W150 HydrophobicContact CD2-CH2 4.28Å; F61-W150 AromaticContact CD2-CZ3 3.71Å; F61-W150 HydrophobicContact CD2-CZ3 3.71Å; F61-W150 HydrophobicContact CE2-CD2 4.31Å; F61-W150 HydrophobicContact CE2-CE3 4.12Å; F61-W150 HydrophobicContact CE2-CZ3 4.32Å; F61-W150 HydrophobicContact CG-CH2 4.45Å; F61-W150 HydrophobicContact CG-CZ3 4.14Å; I139-W150 HydrophobicContact CG2-CH2 4.36Å; I139-W150 HydrophobicContact CG2-CZ2 4.1Å; V142-W150 HydrophobicContact CG1-CZ2 4.12Å; T147-W150 VanDerWaalsContact O-CD1 3.29Å; T147-W150 PolarHBondContact O-N 3.32Å; Q148-W150 PolarHBondContact O-N 3.45Å; W150-I152 PolarHBondContact O-N 3.3Å; W150-I153 HydrophobicContact CE3-CG1 4.18Å; W150-I153 WeakPolarHBondContact O-CB 3.44Å; W150-I153 PolarHBondContact O-N 2.84Å; W150-P154 WeakPolarHBondContact O-CD 3.31Å
151	D	93	Very high	92.3	Very high	69 Å²	69	48.1 Å²	48.1	37%	0.369	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-66.2	-21.2	174.9	-60.1	-26.9	0	0	0	113.2	Q148 E149 I153 P154 I155 N435	Q148-D151 VanDerWaalsContact O-CB 3.31Å; Q148-D151 WeakPolarHBondContact O-CB 3.41Å; Q148-D151 VanDerWaalsContact O-CG 3.28Å; Q148-D151 PolarHBondContact O-N 3.18Å; Q148-D151 VanDerWaalsContact O-OD2 3.13Å; E149-D151 PolarHBondContact O-N 3.03Å; D151-I153 PolarHBondContact O-N 3.21Å; D151-P154 WeakPolarHBondContact O-CD 3.35Å; D151-P154 VanDerWaalsContact O-CG 3.3Å; D151-P154 WeakPolarHBondContact O-CG 3.31Å; D151-I155 WeakPolarHBondContact O-CD1 3.27Å; D151-I155 VanDerWaalsContact O-CG1 3.25Å; D151-I155 WeakPolarHBondContact O-CG1 3.33Å; D151-I155 PolarHBondContact O-N 3.11Å; D151-N435 HydrophobicContact CB-CB 3.8Å; D151-N435 PolarHBondContact OD2-ND2 2.85Å
152	I	92.8	Very high	92.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-27.4	175.5	-159.7	63.5	0	0	0	111.8	E64 E149 W150 I155 S156 Y434 W461	E64-I152 HydrophobicContact CB-CG1 4.14Å; E64-I152 HydrophobicContact CB-CG2 4.23Å; E149-I152 WeakPolarHBondContact O-CB 3.25Å; E149-I152 WeakPolarHBondContact O-CG2 3.41Å; E149-I152 PolarHBondContact O-N 2.85Å; W150-I152 PolarHBondContact O-N 3.3Å; I152-I155 PolarHBondContact O-N 2.85Å; I152-S156 WeakPolarHBondContact O-CB 3.46Å; I152-S156 PolarHBondContact O-N 3.32Å; I152-S156 PolarHBondContact O-OG 3.42Å; I152-Y434 HydrophobicContact CD1-CE2 3.66Å; I152-W461 HydrophobicContact CD1-CH2 3.55Å; I152-W461 HydrophobicContact CD1-CZ2 3.92Å; I152-W461 HydrophobicContact CG1-CH2 4.08Å; I152-W461 HydrophobicContact CG1-CZ2 4.27Å
153	I	93.9	Very high	92.2	Very high	33 Å²	33	49.3 Å²	49.3	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-57.2	-179.2	-59.5	-60.4	0	0	0	111.8	Y60 F61 W150 D151 I155 S156 L157	Y60-I153 HydrophobicContact CD1-CD1 3.8Å; Y60-I153 HydrophobicContact CE1-CD1 3.89Å; Y60-I153 HydrophobicContact CE1-CG2 4.41Å; F61-I153 HydrophobicContact CB-CD1 3.97Å; F61-I153 HydrophobicContact CD2-CD1 3.97Å; F61-I153 HydrophobicContact CD2-CG1 4.16Å; F61-I153 HydrophobicContact CG-CD1 4.47Å; W150-I153 HydrophobicContact CE3-CG1 4.18Å; W150-I153 WeakPolarHBondContact O-CB 3.44Å; W150-I153 PolarHBondContact O-N 2.84Å; D151-I153 PolarHBondContact O-N 3.21Å; I153-I155 PolarHBondContact O-N 2.71Å; I153-S156 PolarHBondContact O-N 2.89Å; I153-S156 PolarHBondContact O-OG 2.7Å; I153-L157 HydrophobicContact CG2-CD1 4.02Å; I153-L157 HydrophobicContact CG2-CG 4.46Å; I153-L157 WeakPolarHBondContact O-CB 3.4Å; I153-L157 VanDerWaalsContact O-CG 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.19Å; I153-L157 PolarHBondContact O-N 3.01Å
154	P	93.8	Very high	92.1	Very high	69 Å²	69	49.4 Å²	49.4	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-32.2	177.5	24.4	-33.7	0	0	0	112.4	W150 D151 Q158	W150-P154 WeakPolarHBondContact O-CD 3.31Å; D151-P154 WeakPolarHBondContact O-CD 3.35Å; D151-P154 VanDerWaalsContact O-CG 3.3Å; D151-P154 WeakPolarHBondContact O-CG 3.31Å; P154-Q158 WeakPolarHBondContact O-CG 3.45Å; P154-Q158 PolarHBondContact O-N 3.02Å
155	I	93.8	Very high	92.3	Very high	29 Å²	29	42.7 Å²	42.7	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-49.7	176.7	-64.4	168.7	0	0	0	110.8	D151 I152 I153 L157 Q158 Y434 N435 W461 L462	D151-I155 WeakPolarHBondContact O-CD1 3.27Å; D151-I155 VanDerWaalsContact O-CG1 3.25Å; D151-I155 WeakPolarHBondContact O-CG1 3.33Å; D151-I155 PolarHBondContact O-N 3.11Å; I152-I155 PolarHBondContact O-N 2.85Å; I153-I155 PolarHBondContact O-N 2.71Å; I155-L157 VanDerWaalsContact C-N 3.33Å; I155-L157 PolarHBondContact O-N 3.44Å; I155-Q158 WeakPolarHBondContact O-CB 3.38Å; I155-Q158 PolarHBondContact O-N 3.24Å; I155-Y434 HydrophobicContact CD1-CD2 3.94Å; I155-Y434 HydrophobicContact CD1-CE2 3.92Å; I155-N435 HydrophobicContact CD1-CB 4.15Å; I155-W461 HydrophobicContact CG2-CZ3 4.3Å; I155-L462 HydrophobicContact CG2-CD1 3.85Å
156	S	94.9	Very high	92.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-36.3	178.3	60.2	0	0	0	0	112.2	Y60 E64 I152 I153 Q158 A159 T160	Y60-S156 VanDerWaalsContact OH-CB 3.27Å; Y60-S156 WeakPolarHBondContact OH-CB 3.29Å; Y60-S156 PolarHBondContact OH-OG 2.95Å; E64-S156 VanDerWaalsContact CD-CB 3.46Å; E64-S156 WeakPolarHBondContact OE2-CB 3.41Å; I152-S156 WeakPolarHBondContact O-CB 3.46Å; I152-S156 PolarHBondContact O-N 3.32Å; I152-S156 PolarHBondContact O-OG 3.42Å; I153-S156 PolarHBondContact O-N 2.89Å; I153-S156 PolarHBondContact O-OG 2.7Å; S156-Q158 PolarHBondContact O-N 3.46Å; S156-A159 CarbonylContact O-C 3.46Å; S156-A159 WeakPolarHBondContact O-CA 3.43Å; S156-A159 WeakPolarHBondContact O-CB 3.38Å; S156-A159 PolarHBondContact O-N 3.07Å; S156-T160 PolarHBondContact O-N 3.22Å; S156-T160 PolarHBondContact O-OG1 2.92Å; S156-T160 VanDerWaalsContact O-OG1 3.05Å
157	L	94.1	Very high	92.9	Very high	75 Å²	75	43.1 Å²	43.1	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-25.7	176.1	-75.9	174	0	0	0	113.3	Y60 I153 I155 A159 G161 L164	Y60-L157 HydrophobicContact CE1-CD2 4.48Å; I153-L157 HydrophobicContact CG2-CD1 4.02Å; I153-L157 HydrophobicContact CG2-CG 4.46Å; I153-L157 WeakPolarHBondContact O-CB 3.4Å; I153-L157 VanDerWaalsContact O-CG 3.26Å; I153-L157 WeakPolarHBondContact O-CG 3.19Å; I153-L157 PolarHBondContact O-N 3.01Å; I155-L157 VanDerWaalsContact C-N 3.33Å; I155-L157 PolarHBondContact O-N 3.44Å; L157-A159 PolarHBondContact O-N 3.06Å; L157-G161 WeakPolarHBondContact O-CA 3.32Å; L157-G161 PolarHBondContact O-N 3.19Å; L157-L164 HydrophobicContact CD2-CD1 3.81Å
158	Q	93	Very high	93.2	Very high	52 Å²	52	41.5 Å²	41.5	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-70.1	-24.5	171.5	-60.9	173.8	27.7	0	0	111.9	P154 I155 S156 T214 S215 M465	P154-Q158 WeakPolarHBondContact O-CG 3.45Å; P154-Q158 PolarHBondContact O-N 3.02Å; I155-Q158 WeakPolarHBondContact O-CB 3.38Å; I155-Q158 PolarHBondContact O-N 3.24Å; S156-Q158 PolarHBondContact O-N 3.46Å; Q158-T214 VanDerWaalsContact CA-O 3.29Å; Q158-T214 WeakPolarHBondContact CA-O 3.42Å; Q158-T214 VanDerWaalsContact CB-O 3.27Å; Q158-T214 WeakPolarHBondContact CB-O 3.08Å; Q158-T214 WeakPolarHBondContact CG-O 3.45Å; Q158-S215 WeakPolarHBondContact O-CB 3.48Å; Q158-S215 PolarHBondContact O-OG 3.28Å; Q158-M465 HydrophobicContact CB-CE 3.29Å; Q158-M465 HydrophobicContact CG-CE 4.5Å
159	A	93	Very high	93.6	Very high	7 Å²	7	35.9 Å²	35.9	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-89.4	-48.3	174.5	0	0	0	0	0	112.2	S156 L157 F163 W461 M465	S156-A159 CarbonylContact O-C 3.46Å; S156-A159 WeakPolarHBondContact O-CA 3.43Å; S156-A159 WeakPolarHBondContact O-CB 3.38Å; S156-A159 PolarHBondContact O-N 3.07Å; L157-A159 PolarHBondContact O-N 3.06Å; A159-F163 WeakPolarHBondContact O-CE2 3.11Å; A159-W461 HydrophobicContact CB-CE3 4.19Å; A159-M465 HydrophobicContact CB-CE 4.27Å; A159-M465 HydrophobicContact CB-CG 3.71Å; A159-M465 HydrophobicContact CB-SD 3.61Å
160	T	93.6	Very high	93.9	Very high	29 Å²	29	38.6 Å²	38.6	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-88.8	-22.3	-170.5	62.9	0	0	0	0	113.1	Y60 S156 F163 L164	Y60-T160 PolarHBondContact OH-OG1 3.37Å; S156-T160 PolarHBondContact O-N 3.22Å; S156-T160 PolarHBondContact O-OG1 2.92Å; S156-T160 VanDerWaalsContact O-OG1 3.05Å; T160-F163 PolarHBondContact O-N 2.92Å; T160-L164 WeakPolarHBondContact O-CG 3.4Å; T160-L164 PolarHBondContact O-N 3.27Å; T160-L164 WeakPolarHBondContact OG1-CD1 3.17Å
161	G	93	Very high	94	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-47.8	-50.7	-175.8	0	0	0	0	0	114.7	L157 F163 L164 H165	L157-G161 WeakPolarHBondContact O-CA 3.32Å; L157-G161 PolarHBondContact O-N 3.19Å; G161-F163 PolarHBondContact O-N 3.12Å; G161-L164 PolarHBondContact O-N 3.01Å; G161-H165 WeakPolarHBondContact O-CB 3.39Å; G161-H165 PolarHBondContact O-N 3.18Å
162	P	91.4	Very high	94.2	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-52.5	-40	175.1	-32.4	40.3	0	0	0	114.1	V166 I213 I218 Y497	P162-V166 WeakPolarHBondContact O-CG2 3.41Å; P162-V166 PolarHBondContact O-N 2.94Å; P162-I213 HydrophobicContact CG-CG2 4.01Å; P162-I218 HydrophobicContact CG-CD1 4.1Å; P162-Y497 HydrophobicContact CB-CD2 4.42Å; P162-Y497 HydrophobicContact CB-CE2 3.77Å; P162-Y497 HydrophobicContact CG-CE2 4.01Å
163	F	91.8	Very high	94.4	Very high	80 Å²	80	36.2 Å²	36.2	35%	0.351	23%	0.23	S	C	.	.	H	α-helix	trans	-82.6	-39.6	-176.9	-51.6	-75.1	0	0	0	111.7	A159 T160 G161 H165 V166 G167 W490 M492	A159-F163 WeakPolarHBondContact O-CE2 3.11Å; T160-F163 PolarHBondContact O-N 2.92Å; G161-F163 PolarHBondContact O-N 3.12Å; F163-H165 VanDerWaalsContact C-N 3.27Å; F163-H165 PolarHBondContact O-N 3.18Å; F163-V166 PolarHBondContact O-N 3.31Å; F163-G167 PolarHBondContact O-N 3Å; F163-W490 HydrophobicContact CD1-CZ3 4.48Å; F163-W490 HydrophobicContact CE1-CD2 4.15Å; F163-W490 AromaticContact CE1-CE3 3.57Å; F163-W490 HydrophobicContact CE1-CE3 3.57Å; F163-W490 HydrophobicContact CE1-CH2 4.29Å; F163-W490 AromaticContact CE1-CZ3 3.63Å; F163-W490 HydrophobicContact CE1-CZ3 3.63Å; F163-W490 HydrophobicContact CE2-CB 4.02Å; F163-W490 AromaticContact CE2-CD2 3.53Å; F163-W490 HydrophobicContact CE2-CD2 3.53Å; F163-W490 AromaticContact CE2-CE2 3.97Å; F163-W490 AromaticContact CE2-CE3 3.84Å; F163-W490 HydrophobicContact CE2-CE3 3.84Å; F163-W490 AromaticContact CE2-CG 3.62Å; F163-W490 HydrophobicContact CE2-CG 3.62Å; F163-W490 HydrophobicContact CE2-CZ3 4.45Å; F163-W490 HydrophobicContact CZ-CB 3.94Å; F163-W490 AromaticContact CZ-CD2 3.28Å; F163-W490 HydrophobicContact CZ-CD2 3.28Å; F163-W490 AromaticContact CZ-CE3 3.07Å; F163-W490 HydrophobicContact CZ-CE3 3.07Å; F163-W490 AromaticContact CZ-CG 3.68Å; F163-W490 HydrophobicContact CZ-CG 3.68Å; F163-W490 HydrophobicContact CZ-CH2 4.33Å; F163-W490 AromaticContact CZ-CZ3 3.64Å; F163-W490 HydrophobicContact CZ-CZ3 3.64Å; F163-M492 HydrophobicContact CZ-CE 3.95Å
164	L	93.4	Very high	94.4	Very high	83 Å²	83	37.9 Å²	37.9	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-37.6	173.7	-69.9	177.4	0	0	0	111.2	Y60 L157 T160 G161 G167 A168	Y60-L164 HydrophobicContact CE2-CD1 4.16Å; L157-L164 HydrophobicContact CD2-CD1 3.81Å; T160-L164 WeakPolarHBondContact O-CG 3.4Å; T160-L164 PolarHBondContact O-N 3.27Å; T160-L164 WeakPolarHBondContact OG1-CD1 3.17Å; G161-L164 PolarHBondContact O-N 3.01Å; L164-G167 PolarHBondContact O-N 3.37Å; L164-A168 VanDerWaalsContact O-CB 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.3Å
165	H	94.8	Very high	94.5	Very high	5 Å²	5	38 Å²	38	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-52.5	172.4	166.5	-97.3	0	0	0	111.8	G161 F163 G167 A168 L169 L206 P210 I213 D505	G161-H165 WeakPolarHBondContact O-CB 3.39Å; G161-H165 PolarHBondContact O-N 3.18Å; F163-H165 VanDerWaalsContact C-N 3.27Å; F163-H165 PolarHBondContact O-N 3.18Å; H165-G167 VanDerWaalsContact C-N 3.29Å; H165-G167 PolarHBondContact O-N 3.45Å; H165-A168 PolarHBondContact O-N 3.06Å; H165-L169 WeakPolarHBondContact O-CB 3.39Å; H165-L169 PolarHBondContact O-N 3.49Å; H165-L206 PolarHBondContact CD2-O 3.3Å; H165-L206 VanDerWaalsContact CD2-O 3.27Å; H165-L206 PolarHBondContact NE2-O 3.49Å; H165-P210 WeakPolarHBondContact CE1-CG 3.49Å; H165-P210 WeakPolarHBondContact NE2-CD 3.28Å; H165-P210 VanDerWaalsContact NE2-CG 3.26Å; H165-P210 WeakPolarHBondContact NE2-CG 3.42Å; H165-I213 HydrophobicContact CB-CD1 3.9Å; H165-D505 IonicContact CE1-OD1 3.85Å
166	V	94.7	Very high	94.6	Very high	56 Å²	56	36.6 Å²	36.6	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-41.7	179.8	174.1	0	0	0	0	110.9	P162 F163 L169 A170 I500	P162-V166 WeakPolarHBondContact O-CG2 3.41Å; P162-V166 PolarHBondContact O-N 2.94Å; F163-V166 PolarHBondContact O-N 3.31Å; V166-L169 PolarHBondContact O-N 3.36Å; V166-A170 WeakPolarHBondContact O-CB 3.39Å; V166-A170 PolarHBondContact O-N 3.23Å; V166-I500 HydrophobicContact CG2-CG2 4.39Å
167	G	95.1	Very high	94.5	Very high	42 Å²	42	41.5 Å²	41.5	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-46.1	175.1	0	0	0	0	0	113	F163 L164 H165 L169 A170 A171	F163-G167 PolarHBondContact O-N 3Å; L164-G167 PolarHBondContact O-N 3.37Å; H165-G167 VanDerWaalsContact C-N 3.29Å; H165-G167 PolarHBondContact O-N 3.45Å; G167-L169 VanDerWaalsContact C-N 3.33Å; G167-L169 PolarHBondContact O-N 2.93Å; G167-A170 PolarHBondContact O-N 2.92Å; G167-A171 WeakPolarHBondContact O-CB 3.42Å; G167-A171 PolarHBondContact O-N 3.14Å
168	A	95.6	Very high	94.4	Very high	41 Å²	41	39.3 Å²	39.3	34%	0.339	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-40.1	177.1	0	0	0	0	0	111.7	L164 H165 A171 A172 L206	L164-A168 VanDerWaalsContact O-CB 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.3Å; H165-A168 PolarHBondContact O-N 3.06Å; A168-A171 PolarHBondContact O-N 3.41Å; A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 3.24Å; A168-L206 HydrophobicContact CB-CD2 3.92Å
169	L	97.6	Very high	94.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-49.4	175.2	-177.4	64.1	0	0	0	111.1	H165 V166 G167 A171 A172 T173 L203 L206 Y207 A504 D505	H165-L169 WeakPolarHBondContact O-CB 3.39Å; H165-L169 PolarHBondContact O-N 3.49Å; V166-L169 PolarHBondContact O-N 3.36Å; G167-L169 VanDerWaalsContact C-N 3.33Å; G167-L169 PolarHBondContact O-N 2.93Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 3.43Å; L169-A172 PolarHBondContact O-N 3.1Å; L169-A172 VanDerWaalsContact O-N 3.12Å; L169-T173 PolarHBondContact O-N 3.33Å; L169-T173 PolarHBondContact O-OG1 3.43Å; L169-L203 HydrophobicContact CD1-CD1 3.81Å; L169-L206 HydrophobicContact CD1-CB 4.28Å; L169-Y207 HydrophobicContact CD1-CD1 3.9Å; L169-Y207 HydrophobicContact CD1-CE1 3.46Å; L169-Y207 VanDerWaalsContact CD1-CE1 3.46Å; L169-Y207 HydrophobicContact CD2-CE1 4.29Å; L169-A504 HydrophobicContact CD2-CB 4.01Å; L169-D505 WeakPolarHBondContact CD2-OD1 3.27Å
170	A	96.8	Very high	94.4	Very high	59 Å²	59	37.8 Å²	37.8	49%	0.488	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-41.5	176.7	0	0	0	0	0	112.2	V166 G167 T173 A174	V166-A170 WeakPolarHBondContact O-CB 3.39Å; V166-A170 PolarHBondContact O-N 3.23Å; G167-A170 PolarHBondContact O-N 2.92Å; A170-T173 PolarHBondContact O-N 2.91Å; A170-A174 WeakPolarHBondContact O-CB 3.43Å; A170-A174 PolarHBondContact O-N 3.16Å
171	A	94.8	Very high	94.1	Very high	54 Å²	54	36.5 Å²	36.5	45%	0.446	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-45.1	175	0	0	0	0	0	111.9	G167 A168 L169 T173 A174 L175	G167-A171 WeakPolarHBondContact O-CB 3.42Å; G167-A171 PolarHBondContact O-N 3.14Å; A168-A171 PolarHBondContact O-N 3.41Å; L169-A171 VanDerWaalsContact C-N 3.29Å; L169-A171 PolarHBondContact O-N 3.43Å; A171-T173 PolarHBondContact O-N 2.92Å; A171-A174 PolarHBondContact O-N 3.05Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.81Å
172	A	96.4	Very high	93.8	Very high	8 Å²	8	38.2 Å²	38.2	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-39.1	176.3	0	0	0	0	0	112.4	A168 L169 L175 S176 Y199 L203 L206	A168-A172 WeakPolarHBondContact O-CB 3.37Å; A168-A172 PolarHBondContact O-N 3.24Å; L169-A172 PolarHBondContact O-N 3.1Å; L169-A172 VanDerWaalsContact O-N 3.12Å; A172-L175 PolarHBondContact O-N 2.95Å; A172-S176 PolarHBondContact O-N 2.79Å; A172-Y199 WeakPolarHBondContact O-CE2 3.1Å; A172-Y199 PolarHBondContact O-OH 3.34Å; A172-L203 HydrophobicContact CB-CD1 4.41Å; A172-L206 HydrophobicContact CB-CD1 3.49Å; A172-L206 VanDerWaalsContact CB-CD1 3.49Å
173	T	97.1	Very high	93.7	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.104	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-44.2	172.9	-50.6	0	0	0	0	110.7	L169 A170 A171 L175 S176 S508 V511 V512	L169-T173 PolarHBondContact O-N 3.33Å; L169-T173 PolarHBondContact O-OG1 3.43Å; A170-T173 PolarHBondContact O-N 2.91Å; A171-T173 PolarHBondContact O-N 2.92Å; T173-L175 PolarHBondContact O-N 2.86Å; T173-S176 WeakPolarHBondContact O-CB 3.31Å; T173-S176 PolarHBondContact O-N 3.26Å; T173-S176 VanDerWaalsContact O-N 3.16Å; T173-S176 PolarHBondContact O-OG 3.33Å; T173-S508 VanDerWaalsContact OG1-CB 3.31Å; T173-S508 WeakPolarHBondContact OG1-CB 3.09Å; T173-S508 PolarHBondContact OG1-OG 3.13Å; T173-V511 HydrophobicContact CG2-CB 3.85Å; T173-V511 HydrophobicContact CG2-CG1 3.54Å; T173-V512 HydrophobicContact CG2-CG2 4.15Å
174	A	94.8	Very high	93.4	Very high	68 Å²	68	36 Å²	36	56%	0.562	23%	0.232	S	C	*	.	H	α-helix	trans	-63.8	-40.4	177.2	0	0	0	0	0	112.1	A170 A171 S176 W177	A170-A174 WeakPolarHBondContact O-CB 3.43Å; A170-A174 PolarHBondContact O-N 3.16Å; A171-A174 PolarHBondContact O-N 3.05Å; A174-S176 PolarHBondContact O-N 2.83Å; A174-W177 PolarHBondContact O-N 2.91Å
175	L	94.6	Very high	92.8	Very high	71 Å²	71	36.2 Å²	36.2	37%	0.372	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-21	175.9	-72.8	173.1	0	0	0	113.1	L109 A171 A172 T173 W177 I178 V179	L109-L175 HydrophobicContact CD1-CD2 4.13Å; L109-L175 HydrophobicContact CD2-CD2 4.05Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.81Å; A172-L175 PolarHBondContact O-N 2.95Å; T173-L175 PolarHBondContact O-N 2.86Å; L175-W177 PolarHBondContact O-N 3.19Å; L175-W177 VanDerWaalsContact O-N 3.15Å; L175-I178 HydrophobicContact CD2-CD1 4.07Å; L175-I178 PolarHBondContact O-N 3.23Å; L175-V179 WeakPolarHBondContact O-CG2 3.39Å; L175-V179 PolarHBondContact O-N 2.86Å
176	S	95.4	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-31.1	175.6	77.7	0	0	0	0	112.7	A172 T173 A174 I178 V179 A180 Y199 I515	A172-S176 PolarHBondContact O-N 2.79Å; T173-S176 WeakPolarHBondContact O-CB 3.31Å; T173-S176 PolarHBondContact O-N 3.26Å; T173-S176 VanDerWaalsContact O-N 3.16Å; T173-S176 PolarHBondContact O-OG 3.33Å; A174-S176 PolarHBondContact O-N 2.83Å; S176-I178 PolarHBondContact O-N 2.89Å; S176-V179 PolarHBondContact O-N 2.8Å; S176-A180 WeakPolarHBondContact O-CB 3.38Å; S176-A180 PolarHBondContact O-N 3.38Å; S176-Y199 VanDerWaalsContact CB-OH 3.26Å; S176-Y199 WeakPolarHBondContact CB-OH 3.5Å; S176-I515 WeakPolarHBondContact OG-CD1 3.27Å
177	W	94.2	Very high	91.5	Very high	103 Å²	103	42.7 Å²	42.7	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-43.5	176.4	-176.5	-92.5	0	0	0	112.1	A174 L175 G181 I515 L518	A174-W177 PolarHBondContact O-N 2.91Å; L175-W177 PolarHBondContact O-N 3.19Å; L175-W177 VanDerWaalsContact O-N 3.15Å; W177-G181 PolarHBondContact O-N 2.87Å; W177-I515 HydrophobicContact CB-CG2 4.31Å; W177-I515 HydrophobicContact CE3-CG1 4.12Å; W177-I515 HydrophobicContact CE3-CG2 3.88Å; W177-L518 HydrophobicContact CH2-CD2 4.19Å; W177-L518 HydrophobicContact CZ3-CD2 3.94Å
178	I	92.1	Very high	91.1	Very high	29 Å²	29	48.4 Å²	48.4	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-47	178.6	-57.4	-177.4	0	0	0	109.3	L109 V112 A113 L175 S176 G181 Q182	L109-I178 HydrophobicContact CB-CD1 4.01Å; L109-I178 HydrophobicContact CD2-CD1 4.24Å; V112-I178 HydrophobicContact CB-CG2 4.26Å; V112-I178 HydrophobicContact CG1-CG2 3.61Å; A113-I178 HydrophobicContact CB-CD1 4.45Å; A113-I178 HydrophobicContact CB-CG1 4.17Å; L175-I178 HydrophobicContact CD2-CD1 4.07Å; L175-I178 PolarHBondContact O-N 3.23Å; S176-I178 PolarHBondContact O-N 2.89Å; I178-G181 PolarHBondContact O-N 3.02Å; I178-Q182 WeakPolarHBondContact O-CG 3.41Å; I178-Q182 PolarHBondContact O-N 3Å
179	V	92.9	Very high	90.6	Very high	25 Å²	25	51 Å²	51	15%	0.152	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-52	179.4	176	0	0	0	0	111	L175 S176 G181 Q182 V183 I195 Y199 F516	L175-V179 WeakPolarHBondContact O-CG2 3.39Å; L175-V179 PolarHBondContact O-N 2.86Å; S176-V179 PolarHBondContact O-N 2.8Å; V179-G181 VanDerWaalsContact C-N 3.3Å; V179-G181 PolarHBondContact O-N 3.33Å; V179-Q182 WeakPolarHBondContact O-CB 3.35Å; V179-Q182 PolarHBondContact O-N 2.94Å; V179-Q182 VanDerWaalsContact O-N 3.12Å; V179-V183 HydrophobicContact CG1-CG2 4.46Å; V179-V183 VanDerWaalsContact O-CG2 3.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.35Å; V179-V183 PolarHBondContact O-N 3.33Å; V179-I195 HydrophobicContact CG1-CG2 3.67Å; V179-Y199 HydrophobicContact CB-CD2 4.45Å; V179-Y199 HydrophobicContact CB-CG 4.47Å; V179-Y199 HydrophobicContact CG1-CD1 4.4Å; V179-Y199 HydrophobicContact CG1-CD2 4.42Å; V179-Y199 HydrophobicContact CG1-CG 3.98Å; V179-Y199 HydrophobicContact CG2-CD2 3.83Å; V179-Y199 HydrophobicContact CG2-CE2 4.38Å; V179-Y199 HydrophobicContact CG2-CG 4.22Å; V179-F516 HydrophobicContact CG1-CZ 4Å
180	A	92.1	Very high	90.2	Very high	2 Å²	2	57.2 Å²	57.2	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-40.2	178.4	0	0	0	0	0	111.9	S176 V183 A184 I515 F516 Q519	S176-A180 WeakPolarHBondContact O-CB 3.38Å; S176-A180 PolarHBondContact O-N 3.38Å; A180-V183 PolarHBondContact O-N 3.12Å; A180-A184 VanDerWaalsContact O-CB 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.24Å; A180-I515 HydrophobicContact CB-CG2 3.94Å; A180-F516 HydrophobicContact CB-CD1 3.9Å; A180-F516 HydrophobicContact CB-CD2 3.88Å; A180-F516 HydrophobicContact CB-CE1 3.97Å; A180-F516 HydrophobicContact CB-CE2 3.97Å; A180-F516 HydrophobicContact CB-CG 3.87Å; A180-F516 HydrophobicContact CB-CZ 4.02Å; A180-Q519 HydrophobicContact CB-CB 4.14Å; A180-Q519 HydrophobicContact CB-CG 3.89Å
181	G	87.9	Confident	89.7	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-39	174.2	0	0	0	0	0	113.3	W177 I178 V179 R185	W177-G181 PolarHBondContact O-N 2.87Å; I178-G181 PolarHBondContact O-N 3.02Å; V179-G181 VanDerWaalsContact C-N 3.3Å; V179-G181 PolarHBondContact O-N 3.33Å; G181-R185 WeakPolarHBondContact O-CG 3.46Å; G181-R185 PolarHBondContact O-N 2.97Å; G181-R185 PolarHBondContact O-NE 3.45Å
182	Q	86.4	Confident	89.4	Confident	45 Å²	45	59.2 Å²	59.2	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-45.9	175	-74.8	-62.8	-30.1	0	0	111.8	V112 I178 V179 A184 R185 A186	V112-Q182 HydrophobicContact CG1-CG 4.02Å; V112-Q182 PolarHBondContact O-NE2 3.43Å; I178-Q182 WeakPolarHBondContact O-CG 3.41Å; I178-Q182 PolarHBondContact O-N 3Å; V179-Q182 WeakPolarHBondContact O-CB 3.35Å; V179-Q182 PolarHBondContact O-N 2.94Å; V179-Q182 VanDerWaalsContact O-N 3.12Å; Q182-A184 VanDerWaalsContact C-N 3.33Å; Q182-A184 PolarHBondContact O-N 3.35Å; Q182-R185 PolarHBondContact O-N 3.01Å; Q182-A186 WeakPolarHBondContact O-CB 3.37Å; Q182-A186 PolarHBondContact O-N 3.17Å
183	V	89.3	Confident	89.2	Confident	22 Å²	22	62.8 Å²	62.8	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-44.8	176.8	172	0	0	0	0	110.9	V179 A180 R185 A186 Q192 I195 V196	V179-V183 HydrophobicContact CG1-CG2 4.46Å; V179-V183 VanDerWaalsContact O-CG2 3.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.35Å; V179-V183 PolarHBondContact O-N 3.33Å; A180-V183 PolarHBondContact O-N 3.12Å; V183-R185 VanDerWaalsContact C-N 3.28Å; V183-R185 PolarHBondContact O-N 3.49Å; V183-A186 PolarHBondContact O-N 3.15Å; V183-Q192 HydrophobicContact CG1-CB 4.11Å; V183-Q192 HydrophobicContact CG1-CG 4.09Å; V183-Q192 PolarHBondContact O-NE2 3.01Å; V183-I195 HydrophobicContact CG2-CB 4.4Å; V183-I195 HydrophobicContact CG2-CG2 3.86Å; V183-V196 HydrophobicContact CB-CG2 4.48Å; V183-V196 HydrophobicContact CG1-CG2 4.11Å; V183-V196 HydrophobicContact CG2-CG2 3.58Å
184	A	85.8	Confident	89	Confident	20 Å²	20	65.3 Å²	65.3	17%	0.165	34%	0.337	C	S	.	.	H	α-helix	trans	-68.3	-25.7	-179.2	0	0	0	0	0	113.6	A180 Q182 M523	A180-A184 VanDerWaalsContact O-CB 3.29Å; A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.24Å; Q182-A184 VanDerWaalsContact C-N 3.33Å; Q182-A184 PolarHBondContact O-N 3.35Å; A184-M523 HydrophobicContact CB-CB 4.41Å; A184-M523 HydrophobicContact CB-CG 3.78Å
185	R	81.5	Confident	88.8	Confident	86 Å²	86	63.8 Å²	63.8	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-88.5	-25.5	176	-73	-175.3	-66.5	-123.5	8.8	113.9	V112 A113 G181 Q182 V183 M523	V112-R185 PolarHBondContact O-NH2 3.43Å; A113-R185 PolarHBondContact O-NH1 2.86Å; A113-R185 PolarHBondContact O-NH2 3.39Å; G181-R185 WeakPolarHBondContact O-CG 3.46Å; G181-R185 PolarHBondContact O-N 2.97Å; G181-R185 PolarHBondContact O-NE 3.45Å; Q182-R185 PolarHBondContact O-N 3.01Å; V183-R185 VanDerWaalsContact C-N 3.28Å; V183-R185 PolarHBondContact O-N 3.49Å; R185-M523 HydrophobicContact CG-CE 4.29Å
186	A	82.8	Confident	88.8	Confident	13 Å²	13	62.2 Å²	62.2	11%	0.107	31%	0.312	C	S	.	.			trans	-64.2	136.2	-177.2	0	0	0	0	0	111.8	Q182 V183 F191 Q192	Q182-A186 WeakPolarHBondContact O-CB 3.37Å; Q182-A186 PolarHBondContact O-N 3.17Å; V183-A186 PolarHBondContact O-N 3.15Å; A186-F191 HydrophobicContact CB-CD1 3.72Å; A186-F191 HydrophobicContact CB-CE1 4.25Å; A186-Q192 HydrophobicContact CB-CG 3.69Å; A186-Q192 PolarHBondContact O-NE2 2.73Å
187	E	78.9	Confident	88.8	Confident	184 Å²	184	67 Å²	67	86%	0.86	34%	0.337	S	S	*	.	S	Bend	trans	-87.4	-30.5	177.2	-64	179.1	172.6	0	0	112.2
188	K	85.8	Confident	88.8	Confident	163 Å²	163	67.4 Å²	67.4	71%	0.709	35%	0.346	S	S	*	.			trans	-89.1	118.8	-177.1	-64.5	-175.2	-179.7	-178.1	0	111.1	I190 F191 Q192	K188-I190 VanDerWaalsContact C-N 3.32Å; K188-I190 PolarHBondContact O-N 3.32Å; K188-F191 HydrophobicContact CB-CB 4.16Å; K188-F191 WeakPolarHBondContact O-CB 3.43Å; K188-F191 PolarHBondContact O-N 3.43Å; K188-F191 VanDerWaalsContact O-N 3.14Å; K188-Q192 PolarHBondContact O-N 3.1Å
189	T	86.4	Confident	89	Confident	96 Å²	96	66.9 Å²	66.9	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-58.7	-40.5	178.3	53	0	0	0	0	112.8	F191 Q192 V193	T189-F191 VanDerWaalsContact C-N 3.29Å; T189-F191 PolarHBondContact O-N 2.96Å; T189-Q192 WeakPolarHBondContact O-CB 3.27Å; T189-Q192 PolarHBondContact O-N 3.03Å; T189-V193 WeakPolarHBondContact O-CG2 3.22Å; T189-V193 PolarHBondContact O-N 2.69Å
190	I	88.5	Confident	89.1	Confident	133 Å²	133	69.7 Å²	69.7	68%	0.682	36%	0.357	S	S	*	.	H	α-helix	trans	-58.1	-42.8	177.3	-62.7	173.5	0	0	0	110.9	K188 V193 V194	K188-I190 VanDerWaalsContact C-N 3.32Å; K188-I190 PolarHBondContact O-N 3.32Å; I190-V193 PolarHBondContact O-N 2.74Å; I190-V194 HydrophobicContact CG2-CG2 4.42Å; I190-V194 VanDerWaalsContact O-CG2 3.27Å; I190-V194 WeakPolarHBondContact O-CG2 3.41Å; I190-V194 PolarHBondContact O-N 3.3Å
191	F	86.4	Confident	89.4	Confident	103 Å²	103	73.4 Å²	73.4	45%	0.452	38%	0.383	S	S	.	.	H	α-helix	trans	-67.6	-39.9	179.7	-177.7	-103.1	0	0	0	112.1	A186 K188 T189 V194 I195	A186-F191 HydrophobicContact CB-CD1 3.72Å; A186-F191 HydrophobicContact CB-CE1 4.25Å; K188-F191 HydrophobicContact CB-CB 4.16Å; K188-F191 WeakPolarHBondContact O-CB 3.43Å; K188-F191 PolarHBondContact O-N 3.43Å; K188-F191 VanDerWaalsContact O-N 3.14Å; T189-F191 VanDerWaalsContact C-N 3.29Å; T189-F191 PolarHBondContact O-N 2.96Å; F191-V194 PolarHBondContact O-N 3.02Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CD2-CD1 4.4Å; F191-I195 HydrophobicContact CE1-CD1 3.23Å; F191-I195 HydrophobicContact CE1-CG1 4.37Å; F191-I195 HydrophobicContact CE2-CD1 3.88Å; F191-I195 HydrophobicContact CE2-CG1 4.44Å; F191-I195 HydrophobicContact CG-CD1 4.39Å; F191-I195 HydrophobicContact CZ-CD1 3.29Å; F191-I195 HydrophobicContact CZ-CG1 4.3Å; F191-I195 PolarHBondContact O-N 3.45Å
192	Q	88.8	Confident	89.8	Confident	52 Å²	52	77.5 Å²	77.5	24%	0.243	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-49.1	173.3	-67.9	173.9	-18.8	0	0	111.3	V183 A186 K188 T189 I195 V196	V183-Q192 HydrophobicContact CG1-CB 4.11Å; V183-Q192 HydrophobicContact CG1-CG 4.09Å; V183-Q192 PolarHBondContact O-NE2 3.01Å; A186-Q192 HydrophobicContact CB-CG 3.69Å; A186-Q192 PolarHBondContact O-NE2 2.73Å; K188-Q192 PolarHBondContact O-N 3.1Å; T189-Q192 WeakPolarHBondContact O-CB 3.27Å; T189-Q192 PolarHBondContact O-N 3.03Å; Q192-I195 PolarHBondContact O-N 3.18Å; Q192-V196 WeakPolarHBondContact O-CB 3.48Å; Q192-V196 VanDerWaalsContact O-CG2 3.29Å; Q192-V196 WeakPolarHBondContact O-CG2 3.43Å; Q192-V196 PolarHBondContact O-N 2.95Å
193	V	90.9	Very high	90.2	Very high	83 Å²	83	75.6 Å²	75.6	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-46.9	-179.8	172.4	0	0	0	0	110.6	T189 I190 I195 V196 L197	T189-V193 WeakPolarHBondContact O-CG2 3.22Å; T189-V193 PolarHBondContact O-N 2.69Å; I190-V193 PolarHBondContact O-N 2.74Å; V193-I195 PolarHBondContact O-N 3.14Å; V193-V196 PolarHBondContact O-N 3.5Å; V193-L197 HydrophobicContact CG1-CD1 3.67Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CB 3.42Å; V193-L197 VanDerWaalsContact O-CG 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.46Å; V193-L197 PolarHBondContact O-N 3.02Å
194	V	93.1	Very high	90.6	Very high	71 Å²	71	79.7 Å²	79.7	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-60.3	-47.2	179.5	170.1	0	0	0	0	111.7	I190 F191 L197 L198	I190-V194 HydrophobicContact CG2-CG2 4.42Å; I190-V194 VanDerWaalsContact O-CG2 3.27Å; I190-V194 WeakPolarHBondContact O-CG2 3.41Å; I190-V194 PolarHBondContact O-N 3.3Å; F191-V194 PolarHBondContact O-N 3.02Å; V194-L197 PolarHBondContact O-N 3.19Å; V194-L198 HydrophobicContact CG1-CD1 3.86Å; V194-L198 HydrophobicContact CG1-CG 4.46Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 VanDerWaalsContact O-CG 3.29Å; V194-L198 WeakPolarHBondContact O-CG 3.44Å; V194-L198 PolarHBondContact O-N 3.37Å
195	I	91.4	Very high	91.1	Very high	35 Å²	35	80.7 Å²	80.7	18%	0.179	43%	0.431	C	S	.	.	H	α-helix	trans	-63.4	-45.1	179.5	-75.8	-178.9	0	0	0	111.7	V179 V183 F191 Q192 V193 L198 Y199	V179-I195 HydrophobicContact CG1-CG2 3.67Å; V183-I195 HydrophobicContact CG2-CB 4.4Å; V183-I195 HydrophobicContact CG2-CG2 3.86Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CD2-CD1 4.4Å; F191-I195 HydrophobicContact CE1-CD1 3.23Å; F191-I195 HydrophobicContact CE1-CG1 4.37Å; F191-I195 HydrophobicContact CE2-CD1 3.88Å; F191-I195 HydrophobicContact CE2-CG1 4.44Å; F191-I195 HydrophobicContact CG-CD1 4.39Å; F191-I195 HydrophobicContact CZ-CD1 3.29Å; F191-I195 HydrophobicContact CZ-CG1 4.3Å; F191-I195 PolarHBondContact O-N 3.45Å; Q192-I195 PolarHBondContact O-N 3.18Å; V193-I195 PolarHBondContact O-N 3.14Å; I195-L198 PolarHBondContact O-N 3.48Å; I195-Y199 WeakPolarHBondContact O-CB 3.48Å; I195-Y199 PolarHBondContact O-N 3.38Å
196	V	93.6	Very high	91.9	Very high	38 Å²	38	77.8 Å²	77.8	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-63.9	-44.7	179.5	171.9	0	0	0	0	110.3	V183 Q192 V193 L198 Y199 L200 F516	V183-V196 HydrophobicContact CB-CG2 4.48Å; V183-V196 HydrophobicContact CG1-CG2 4.11Å; V183-V196 HydrophobicContact CG2-CG2 3.58Å; Q192-V196 WeakPolarHBondContact O-CB 3.48Å; Q192-V196 VanDerWaalsContact O-CG2 3.29Å; Q192-V196 WeakPolarHBondContact O-CG2 3.43Å; Q192-V196 PolarHBondContact O-N 2.95Å; V193-V196 PolarHBondContact O-N 3.5Å; V196-L198 PolarHBondContact O-N 3.13Å; V196-Y199 PolarHBondContact O-N 3.3Å; V196-L200 HydrophobicContact CG1-CD1 3.73Å; V196-L200 HydrophobicContact CG1-CG 4.09Å; V196-L200 WeakPolarHBondContact O-CB 3.44Å; V196-L200 VanDerWaalsContact O-CG 3.26Å; V196-L200 WeakPolarHBondContact O-CG 3.27Å; V196-L200 PolarHBondContact O-N 2.96Å; V196-F516 HydrophobicContact CG2-CE1 4.13Å
197	L	95.2	Very high	92.5	Very high	101 Å²	101	79 Å²	79	53%	0.529	42%	0.424	S	S	.	.	H	α-helix	trans	-61.7	-44.6	177.4	-73.5	175.3	0	0	0	111.8	V193 V194 Y199 L200 S201	V193-L197 HydrophobicContact CG1-CD1 3.67Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CB 3.42Å; V193-L197 VanDerWaalsContact O-CG 3.26Å; V193-L197 WeakPolarHBondContact O-CG 3.46Å; V193-L197 PolarHBondContact O-N 3.02Å; V194-L197 PolarHBondContact O-N 3.19Å; L197-Y199 PolarHBondContact O-N 2.71Å; L197-L200 PolarHBondContact O-N 3.25Å; L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 2.71Å; L197-S201 PolarHBondContact O-OG 3Å
198	L	94.9	Very high	93.3	Very high	111 Å²	111	72.8 Å²	72.8	58%	0.581	40%	0.399	S	S	*	.	H	α-helix	trans	-59.7	-46.6	176.1	-74.8	168.9	0	0	0	111.7	V194 I195 V196 S201 V202	V194-L198 HydrophobicContact CG1-CD1 3.86Å; V194-L198 HydrophobicContact CG1-CG 4.46Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 VanDerWaalsContact O-CG 3.29Å; V194-L198 WeakPolarHBondContact O-CG 3.44Å; V194-L198 PolarHBondContact O-N 3.37Å; I195-L198 PolarHBondContact O-N 3.48Å; V196-L198 PolarHBondContact O-N 3.13Å; L198-S201 PolarHBondContact O-N 2.98Å; L198-V202 WeakPolarHBondContact O-CG2 3.37Å; L198-V202 PolarHBondContact O-N 3.3Å; L198-V202 VanDerWaalsContact O-N 3.11Å
199	Y	96	Very high	93.8	Very high	18 Å²	18	68.6 Å²	68.6	7%	0.071	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-44.9	178.5	177.2	-102.6	0	0	0	112.3	A172 S176 V179 I195 V196 L197 S201 V202 L203 V512 F516	A172-Y199 WeakPolarHBondContact O-CE2 3.1Å; A172-Y199 PolarHBondContact O-OH 3.34Å; S176-Y199 VanDerWaalsContact CB-OH 3.26Å; S176-Y199 WeakPolarHBondContact CB-OH 3.5Å; V179-Y199 HydrophobicContact CB-CD2 4.45Å; V179-Y199 HydrophobicContact CB-CG 4.47Å; V179-Y199 HydrophobicContact CG1-CD1 4.4Å; V179-Y199 HydrophobicContact CG1-CD2 4.42Å; V179-Y199 HydrophobicContact CG1-CG 3.98Å; V179-Y199 HydrophobicContact CG2-CD2 3.83Å; V179-Y199 HydrophobicContact CG2-CE2 4.38Å; V179-Y199 HydrophobicContact CG2-CG 4.22Å; I195-Y199 WeakPolarHBondContact O-CB 3.48Å; I195-Y199 PolarHBondContact O-N 3.38Å; V196-Y199 PolarHBondContact O-N 3.3Å; L197-Y199 PolarHBondContact O-N 2.71Å; Y199-S201 VanDerWaalsContact C-N 3.32Å; Y199-S201 PolarHBondContact O-N 3.1Å; Y199-V202 PolarHBondContact O-N 3.25Å; Y199-L203 HydrophobicContact CE1-CD2 4.13Å; Y199-L203 WeakPolarHBondContact O-CB 3.25Å; Y199-L203 PolarHBondContact O-N 3.46Å; Y199-V512 HydrophobicContact CE1-CG1 3.95Å; Y199-V512 WeakPolarHBondContact OH-CG2 3.49Å; Y199-F516 HydrophobicContact CE1-CE2 4.37Å
200	L	96.3	Very high	94.1	Very high	85 Å²	85	64.2 Å²	64.2	45%	0.445	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-36.8	177.3	-72.6	-179.9	0	0	0	112.1	V196 L197 L203 L204	V196-L200 HydrophobicContact CG1-CD1 3.73Å; V196-L200 HydrophobicContact CG1-CG 4.09Å; V196-L200 WeakPolarHBondContact O-CB 3.44Å; V196-L200 VanDerWaalsContact O-CG 3.26Å; V196-L200 WeakPolarHBondContact O-CG 3.27Å; V196-L200 PolarHBondContact O-N 2.96Å; L197-L200 PolarHBondContact O-N 3.25Å; L200-L203 PolarHBondContact O-N 2.96Å; L200-L204 WeakPolarHBondContact O-CB 3.26Å; L200-L204 PolarHBondContact O-N 3.02Å
201	S	97	Very high	94.3	Very high	80 Å²	80	63.5 Å²	63.5	56%	0.559	35%	0.354	S	S	*	.	H	α-helix	trans	-63	-43.1	174.2	-66.4	0	0	0	0	112	L197 L198 Y199 G205	L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 2.71Å; L197-S201 PolarHBondContact O-OG 3Å; L198-S201 PolarHBondContact O-N 2.98Å; Y199-S201 VanDerWaalsContact C-N 3.32Å; Y199-S201 PolarHBondContact O-N 3.1Å; S201-G205 PolarHBondContact O-N 3Å
202	V	96	Very high	94.6	Very high	88 Å²	88	67 Å²	67	53%	0.533	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-46.4	174.9	172.2	0	0	0	0	110.7	L198 Y199 G205 L206	L198-V202 WeakPolarHBondContact O-CG2 3.37Å; L198-V202 PolarHBondContact O-N 3.3Å; L198-V202 VanDerWaalsContact O-N 3.11Å; Y199-V202 PolarHBondContact O-N 3.25Å; V202-G205 PolarHBondContact O-N 3.28Å; V202-L206 HydrophobicContact CG1-CD1 4.35Å; V202-L206 WeakPolarHBondContact O-CG 3.22Å; V202-L206 PolarHBondContact O-N 3.28Å
203	L	96.8	Very high	94.7	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-42.1	-179.3	-168.6	65.6	0	0	0	112	L169 A172 Y199 L200 G205 L206 Y207 V512	L169-L203 HydrophobicContact CD1-CD1 3.81Å; A172-L203 HydrophobicContact CB-CD1 4.41Å; Y199-L203 HydrophobicContact CE1-CD2 4.13Å; Y199-L203 WeakPolarHBondContact O-CB 3.25Å; Y199-L203 PolarHBondContact O-N 3.46Å; L200-L203 PolarHBondContact O-N 2.96Å; L203-G205 VanDerWaalsContact C-N 3.34Å; L203-L206 PolarHBondContact O-N 2.84Å; L203-Y207 HydrophobicContact CD1-CE1 4.06Å; L203-Y207 HydrophobicContact CD2-CE2 4.06Å; L203-Y207 HydrophobicContact CG-CD2 4.44Å; L203-Y207 HydrophobicContact CG-CE1 4.2Å; L203-Y207 HydrophobicContact CG-CE2 3.78Å; L203-Y207 PolarHBondContact O-N 2.91Å; L203-V512 HydrophobicContact CD2-CG1 4.45Å; L203-V512 HydrophobicContact CD2-CG2 4.2Å
204	L	97	Very high	94.7	Very high	108 Å²	108	67 Å²	67	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-62.4	-42.7	174.2	179.5	63.4	0	0	0	111.2	L200 L206 Y207 V208	L200-L204 WeakPolarHBondContact O-CB 3.26Å; L200-L204 PolarHBondContact O-N 3.02Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 2.87Å; L204-Y207 PolarHBondContact O-N 3.11Å; L204-V208 HydrophobicContact CD1-CG2 4.21Å; L204-V208 WeakPolarHBondContact O-CG2 3.3Å; L204-V208 PolarHBondContact O-N 2.99Å
205	G	96.6	Very high	94.7	Very high	42 Å²	42	64.8 Å²	64.8	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-55.8	-45	173.3	0	0	0	0	0	111.9	S201 V202 L203 V208 L209	S201-G205 PolarHBondContact O-N 3Å; V202-G205 PolarHBondContact O-N 3.28Å; L203-G205 VanDerWaalsContact C-N 3.34Å; G205-V208 PolarHBondContact O-N 3.26Å; G205-L209 WeakPolarHBondContact O-CB 3.17Å; G205-L209 PolarHBondContact O-N 3.03Å
206	L	96.6	Very high	94.9	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.126	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-37.6	176.3	-68.9	172.3	0	0	0	112.9	H165 A168 L169 A172 V202 L203 L204 V208 L209 P210	H165-L206 PolarHBondContact CD2-O 3.3Å; H165-L206 VanDerWaalsContact CD2-O 3.27Å; H165-L206 PolarHBondContact NE2-O 3.49Å; A168-L206 HydrophobicContact CB-CD2 3.92Å; L169-L206 HydrophobicContact CD1-CB 4.28Å; A172-L206 HydrophobicContact CB-CD1 3.49Å; A172-L206 VanDerWaalsContact CB-CD1 3.49Å; V202-L206 HydrophobicContact CG1-CD1 4.35Å; V202-L206 WeakPolarHBondContact O-CG 3.22Å; V202-L206 PolarHBondContact O-N 3.28Å; L203-L206 PolarHBondContact O-N 2.84Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 2.87Å; L206-V208 VanDerWaalsContact C-N 3.32Å; L206-V208 PolarHBondContact O-N 3.42Å; L206-L209 HydrophobicContact CD2-CD2 4.35Å; L206-L209 PolarHBondContact O-N 3.36Å; L206-P210 WeakPolarHBondContact O-CD 3.45Å
207	Y	97.1	Very high	94.9	Very high	38 Å²	38	62.4 Å²	62.4	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-32.6	175.6	-65.9	-23	0	0	0	113.1	L169 L203 L204 W501 D505 S508 F509	L169-Y207 HydrophobicContact CD1-CD1 3.9Å; L169-Y207 HydrophobicContact CD1-CE1 3.46Å; L169-Y207 VanDerWaalsContact CD1-CE1 3.46Å; L169-Y207 HydrophobicContact CD2-CE1 4.29Å; L203-Y207 HydrophobicContact CD1-CE1 4.06Å; L203-Y207 HydrophobicContact CD2-CE2 4.06Å; L203-Y207 HydrophobicContact CG-CD2 4.44Å; L203-Y207 HydrophobicContact CG-CE1 4.2Å; L203-Y207 HydrophobicContact CG-CE2 3.78Å; L203-Y207 PolarHBondContact O-N 2.91Å; L204-Y207 PolarHBondContact O-N 3.11Å; Y207-W501 WeakPolarHBondContact O-CZ2 3.4Å; Y207-W501 PolarHBondContact O-NE1 2.84Å; Y207-W501 VanDerWaalsContact O-NE1 3.11Å; Y207-D505 WeakPolarHBondContact CA-OD2 3.28Å; Y207-D505 WeakPolarHBondContact CB-OD2 3.38Å; Y207-D505 HydrophobicContact CD1-CB 3.82Å; Y207-D505 VanDerWaalsContact CD1-OD1 3.31Å; Y207-D505 WeakPolarHBondContact CD1-OD1 3.3Å; Y207-D505 WeakPolarHBondContact CD1-OD2 3.32Å; Y207-D505 HydrophobicContact CE1-CB 3.9Å; Y207-D505 HydrophobicContact CG-CB 4.48Å; Y207-S508 PolarHBondContact OH-OG 2.92Å; Y207-F509 WeakPolarHBondContact OH-CA 3.05Å; Y207-F509 PolarHBondContact OH-N 3.17Å; Y207-F509 VanDerWaalsContact OH-N 3.16Å
208	V	95.9	Very high	94.9	Very high	55 Å²	55	59.1 Å²	59.1	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-86.5	-23	179.7	-179.2	0	0	0	0	111.7	L204 G205 L206 P210 L211 Y212	L204-V208 HydrophobicContact CD1-CG2 4.21Å; L204-V208 WeakPolarHBondContact O-CG2 3.3Å; L204-V208 PolarHBondContact O-N 2.99Å; G205-V208 PolarHBondContact O-N 3.26Å; L206-V208 VanDerWaalsContact C-N 3.32Å; L206-V208 PolarHBondContact O-N 3.42Å; V208-P210 VanDerWaalsContact C-CD 3.45Å; V208-L211 HydrophobicContact CG1-CD1 4.05Å; V208-L211 WeakPolarHBondContact O-CB 3.39Å; V208-L211 PolarHBondContact O-N 3.4Å; V208-L211 VanDerWaalsContact O-N 3.07Å; V208-Y212 HydrophobicContact CG1-CE2 3.95Å
209	L	94.8	Very high	94.9	Very high	74 Å²	74	55.4 Å²	55.4	39%	0.387	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-51.5	-41.7	-174.2	-173.7	65	0	0	0	114.8	G205 L206 L211 Y212	G205-L209 WeakPolarHBondContact O-CB 3.17Å; G205-L209 PolarHBondContact O-N 3.03Å; L206-L209 HydrophobicContact CD2-CD2 4.35Å; L206-L209 PolarHBondContact O-N 3.36Å; L209-L211 PolarHBondContact O-N 3.2Å; L209-Y212 PolarHBondContact O-N 2.8Å
210	P	94.3	Very high	94.9	Very high	5 Å²	5	57 Å²	57	3%	0.032	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-57.3	-21.5	178.9	-33.6	44	0	0	0	115.4	H165 L206 V208 Y212 I213 Y497 W501	H165-P210 WeakPolarHBondContact CE1-CG 3.49Å; H165-P210 WeakPolarHBondContact NE2-CD 3.28Å; H165-P210 VanDerWaalsContact NE2-CG 3.26Å; H165-P210 WeakPolarHBondContact NE2-CG 3.42Å; L206-P210 WeakPolarHBondContact O-CD 3.45Å; V208-P210 VanDerWaalsContact C-CD 3.45Å; P210-Y212 PolarHBondContact O-N 2.96Å; P210-I213 PolarHBondContact O-N 3.47Å; P210-Y497 HydrophobicContact CB-CE1 4.49Å; P210-Y497 WeakPolarHBondContact CB-OH 3.46Å; P210-W501 HydrophobicContact CB-CD2 3.44Å; P210-W501 VanDerWaalsContact CB-CD2 3.44Å; P210-W501 HydrophobicContact CB-CE3 3.78Å; P210-W501 HydrophobicContact CB-CG 3.81Å; P210-W501 HydrophobicContact CB-CH2 4.36Å; P210-W501 HydrophobicContact CB-CZ2 4.05Å; P210-W501 HydrophobicContact CB-CZ3 4.22Å; P210-W501 HydrophobicContact CG-CD2 3.86Å; P210-W501 HydrophobicContact CG-CG 3.81Å; P210-W501 HydrophobicContact CG-CZ2 4.4Å
211	L	92.1	Very high	94.8	Very high	118 Å²	118	56.1 Å²	56.1	62%	0.618	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.6	173.6	-67.6	176	0	0	0	113.4	V208 L209 W501	V208-L211 HydrophobicContact CG1-CD1 4.05Å; V208-L211 WeakPolarHBondContact O-CB 3.39Å; V208-L211 PolarHBondContact O-N 3.4Å; V208-L211 VanDerWaalsContact O-N 3.07Å; L209-L211 PolarHBondContact O-N 3.2Å; L211-W501 HydrophobicContact CD1-CH2 4.39Å; L211-W501 HydrophobicContact CD2-CH2 3.44Å; L211-W501 VanDerWaalsContact CD2-CH2 3.44Å; L211-W501 HydrophobicContact CD2-CZ3 3.83Å; L211-W501 HydrophobicContact CG-CH2 3.56Å; L211-W501 HydrophobicContact CG-CZ2 4.25Å; L211-W501 HydrophobicContact CG-CZ3 4.33Å
212	Y	92.2	Very high	94.6	Very high	177 Å²	177	62.5 Å²	62.5	69%	0.694	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-101.4	-5.5	-179	-58.4	-77.5	0	0	0	112.9	V208 L209 P210 T214	V208-Y212 HydrophobicContact CG1-CE2 3.95Å; L209-Y212 PolarHBondContact O-N 2.8Å; P210-Y212 PolarHBondContact O-N 2.96Å; Y212-T214 PolarHBondContact O-N 3.08Å
213	I	91.6	Very high	94.5	Very high	33 Å²	33	62.3 Å²	62.3	17%	0.169	33%	0.325	C	S	.	.			trans	-79.4	113.3	178.3	-60	-179.5	0	0	0	108.2	P162 H165 P210	P162-I213 HydrophobicContact CG-CG2 4.01Å; H165-I213 HydrophobicContact CB-CD1 3.9Å; P210-I213 PolarHBondContact O-N 3.47Å
214	T	89.7	Confident	94.5	Very high	102 Å²	102	64.2 Å²	64.2	63%	0.626	34%	0.335	S	S	*	.			trans	-102.6	131.4	174.6	54.6	0	0	0	0	109.1	Q158 Y212	Q158-T214 VanDerWaalsContact CA-O 3.29Å; Q158-T214 WeakPolarHBondContact CA-O 3.42Å; Q158-T214 VanDerWaalsContact CB-O 3.27Å; Q158-T214 WeakPolarHBondContact CB-O 3.08Å; Q158-T214 WeakPolarHBondContact CG-O 3.45Å; Y212-T214 PolarHBondContact O-N 3.08Å
215	S	93.8	Very high	94.4	Very high	23 Å²	23	64.3 Å²	64.3	16%	0.161	33%	0.331	C	S	.	.			trans	-146.6	124.1	177.7	-175.2	0	0	0	0	109.8	Q158 C217 I218	Q158-S215 WeakPolarHBondContact O-CB 3.48Å; Q158-S215 PolarHBondContact O-OG 3.28Å; S215-C217 PolarHBondContact O-N 3.26Å; S215-C217 PolarHBondContact OG-N 3.3Å; S215-I218 PolarHBondContact O-N 3.11Å; S215-I218 VanDerWaalsContact O-N 3.13Å
216	P	94.6	Very high	94.3	Very high	23 Å²	23	67.7 Å²	67.7	15%	0.149	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	171.6	-23.5	34.5	0	0	0	112.8	I218 A439 M465 C468 S469	P216-I218 VanDerWaalsContact C-N 3.33Å; P216-I218 PolarHBondContact O-N 3.44Å; P216-A439 HydrophobicContact CG-CB 3.9Å; P216-M465 VanDerWaalsContact CD-CE 3.4Å; P216-M465 HydrophobicContact CG-CE 4.04Å; P216-C468 HydrophobicContact CB-CB 3.86Å; P216-S469 WeakPolarHBondContact CB-OG 3.28Å; P216-S469 VanDerWaalsContact CG-OG 3.31Å; P216-S469 WeakPolarHBondContact CG-OG 3.31Å
217	C	95.5	Very high	94.3	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.007	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.3	-179.4	-66.8	0	0	0	0	114.5	S215 M219 C468 M492	S215-C217 PolarHBondContact O-N 3.26Å; S215-C217 PolarHBondContact OG-N 3.3Å; C217-M219 PolarHBondContact O-N 3.22Å; C217-C468 WeakPolarHBondContact CA-SG 3.22Å; C217-C468 HydrophobicContact CB-CB 3.93Å; C217-C468 WeakPolarHBondContact CB-SG 3.46Å; C217-C468 WeakPolarHBondContact SG-CB 3.48Å; C217-C468 CovalentContact SG-SG 2.05Å; C217-C468 PolarHBondContact SG-SG 2.66Å; C217-M492 PolarHBondContact O-N 3Å
218	I	95.1	Very high	94.3	Very high	31 Å²	31	69.2 Å²	69.2	16%	0.159	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-89.3	81.1	167.3	-59.3	169.9	0	0	0	108.1	P162 S215 P216 M492 P494 Y497	P162-I218 HydrophobicContact CG-CD1 4.1Å; S215-I218 PolarHBondContact O-N 3.11Å; S215-I218 VanDerWaalsContact O-N 3.13Å; P216-I218 VanDerWaalsContact C-N 3.33Å; P216-I218 PolarHBondContact O-N 3.44Å; I218-M492 CarbonylContact C-O 3.47Å; I218-M492 VanDerWaalsContact CA-O 3.31Å; I218-M492 WeakPolarHBondContact CA-O 3.41Å; I218-M492 HydrophobicContact CG1-CG 3.86Å; I218-M492 HydrophobicContact CG1-SD 4.2Å; I218-P494 HydrophobicContact CG2-CB 4.38Å; I218-P494 HydrophobicContact CG2-CG 4.26Å; I218-Y497 HydrophobicContact CD1-CD1 3.91Å; I218-Y497 HydrophobicContact CD1-CD2 3.96Å; I218-Y497 HydrophobicContact CD1-CE1 3.99Å; I218-Y497 HydrophobicContact CD1-CE2 4.07Å; I218-Y497 HydrophobicContact CD1-CG 3.88Å; I218-Y497 HydrophobicContact CG1-CG 4.47Å; I218-Y497 HydrophobicContact CG2-CD1 4.23Å; I218-Y497 HydrophobicContact CG2-CG 4.25Å
219	M	94.7	Very high	94.4	Very high	33 Å²	33	71 Å²	71	16%	0.163	35%	0.354	C	S	.	.	S	Bend	trans	-145.8	167.1	-173.6	66.8	-179.3	-59.9	0	0	111.8	C217 P221 T223 L224 C468 L491 M492 S493	C217-M219 PolarHBondContact O-N 3.22Å; M219-P221 VanDerWaalsContact O-CD 3.28Å; M219-P221 WeakPolarHBondContact O-CD 3.3Å; M219-T223 WeakPolarHBondContact CE-OG1 3.25Å; M219-L224 HydrophobicContact SD-CD1 4.14Å; M219-C468 HydrophobicContact SD-CB 4.28Å; M219-L491 HydrophobicContact CG-CD1 3.69Å; M219-L491 HydrophobicContact SD-CD1 4.21Å; M219-M492 PolarHBondContact N-O 3.31Å; M219-M492 VanDerWaalsContact O-O 3.1Å; M219-S493 WeakPolarHBondContact O-CA 3.46Å
220	D	95.1	Very high	94.5	Very high	53 Å²	53	68.2 Å²	68.2	28%	0.283	34%	0.34	S	S	.	.			trans	-67.6	121.1	169.8	-170.6	-30.5	0	0	0	108.6	R222 T223	D220-R222 PolarHBondContact O-N 2.98Å; D220-R222 VanDerWaalsContact OD1-CB 3.32Å; D220-R222 WeakPolarHBondContact OD1-CB 3.48Å; D220-R222 WeakPolarHBondContact OD1-CG 3.36Å; D220-R222 IonicContact OD1-CZ 3.94Å; D220-R222 PolarHBondContact OD1-N 2.83Å; D220-R222 IonicContact OD1-NE 3.08Å; D220-R222 PolarHBondContact OD1-NE 3.05Å; D220-R222 VanDerWaalsContact OD1-NE 3.08Å; D220-R222 IonicContact OD1-NH2 3.89Å; D220-R222 IonicContact OD2-CZ 3.39Å; D220-R222 IonicContact OD2-NE 3.21Å; D220-R222 PolarHBondContact OD2-NE 2.84Å; D220-R222 IonicContact OD2-NH2 2.75Å; D220-R222 PolarHBondContact OD2-NH2 3.49Å; D220-T223 HydrophobicContact CB-CG2 4.24Å; D220-T223 PolarHBondContact O-N 3.39Å; D220-T223 PolarHBondContact O-OG1 3.44Å
221	P	94.1	Very high	94.7	Very high	65 Å²	65	68 Å²	68	42%	0.422	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-56.1	-23.8	179.3	-27.2	36.5	0	0	0	113.7	M219 T223 L224 L491	M219-P221 VanDerWaalsContact O-CD 3.28Å; M219-P221 WeakPolarHBondContact O-CD 3.3Å; P221-T223 VanDerWaalsContact C-N 3.27Å; P221-T223 PolarHBondContact O-N 2.89Å; P221-L224 VanDerWaalsContact O-CB 3.29Å; P221-L224 WeakPolarHBondContact O-CB 3.5Å; P221-L224 PolarHBondContact O-N 3.29Å; P221-L491 HydrophobicContact CB-CD2 4.02Å; P221-L491 HydrophobicContact CG-CD2 4.37Å; P221-L491 HydrophobicContact CG-CG 4.44Å
222	R	93.9	Very high	95	Very high	215 Å²	215	62.4 Å²	62.4	81%	0.811	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-72.3	-19.1	177.5	-63.7	175.4	-72.5	-179.6	1.2	113.5	D220	D220-R222 PolarHBondContact O-N 2.98Å; D220-R222 VanDerWaalsContact OD1-CB 3.32Å; D220-R222 WeakPolarHBondContact OD1-CB 3.48Å; D220-R222 WeakPolarHBondContact OD1-CG 3.36Å; D220-R222 IonicContact OD1-CZ 3.94Å; D220-R222 PolarHBondContact OD1-N 2.83Å; D220-R222 IonicContact OD1-NE 3.08Å; D220-R222 PolarHBondContact OD1-NE 3.05Å; D220-R222 VanDerWaalsContact OD1-NE 3.08Å; D220-R222 IonicContact OD1-NH2 3.89Å; D220-R222 IonicContact OD2-CZ 3.39Å; D220-R222 IonicContact OD2-NE 3.21Å; D220-R222 PolarHBondContact OD2-NE 2.84Å; D220-R222 IonicContact OD2-NH2 2.75Å; D220-R222 PolarHBondContact OD2-NH2 3.49Å
223	T	94	Very high	95.3	Very high	84 Å²	84	54.4 Å²	54.4	52%	0.515	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-96.2	2	176.7	64.4	0	0	0	0	112.6	M219 D220 P221 K225	M219-T223 WeakPolarHBondContact CE-OG1 3.25Å; D220-T223 HydrophobicContact CB-CG2 4.24Å; D220-T223 PolarHBondContact O-N 3.39Å; D220-T223 PolarHBondContact O-OG1 3.44Å; P221-T223 VanDerWaalsContact C-N 3.27Å; P221-T223 PolarHBondContact O-N 2.89Å; T223-K225 PolarHBondContact O-N 2.97Å
224	L	95.4	Very high	95.5	Very high	44 Å²	44	53 Å²	53	23%	0.23	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60	132.1	177	-176.5	67.3	0	0	0	110.1	M219 P221 W467 P488 L491	M219-L224 HydrophobicContact SD-CD1 4.14Å; P221-L224 VanDerWaalsContact O-CB 3.29Å; P221-L224 WeakPolarHBondContact O-CB 3.5Å; P221-L224 PolarHBondContact O-N 3.29Å; L224-W467 HydrophobicContact CD2-CZ2 4.19Å; L224-P488 HydrophobicContact CD1-CG 3.88Å; L224-P488 HydrophobicContact CD2-CG 3.85Å; L224-L491 HydrophobicContact CD2-CD2 3.99Å
225	K	94.4	Very high	95.9	Very high	111 Å²	111	48.2 Å²	48.2	48%	0.483	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-72.1	161.4	176.6	-62.7	-61.9	-175.7	172.6	0	111	T223 W467	T223-K225 PolarHBondContact O-N 2.97Å; K225-W467 PolarHBondContact O-NE1 3.49Å
226	P	95.1	Very high	96	Very high	113 Å²	113	47.1 Å²	47.1	73%	0.734	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-51.6	152.4	172.4	-25.8	35.4	0	0	0	111.7	W467	P226-W467 PolarHBondContact O-NE1 3.33Å
227	R	96.7	Very high	96	Very high	90 Å²	90	46 Å²	46	34%	0.34	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-55.1	130.6	176	-178.2	-174.2	173.7	123.2	18.9	110	F463 W467 L482 V485	R227-F463 HydrophobicContact CG-CZ 4.23Å; R227-W467 VanDerWaalsContact CA-CE2 3.49Å; R227-W467 HydrophobicContact CB-CH2 3.86Å; R227-W467 HydrophobicContact CB-CZ2 3.58Å; R227-W467 HydrophobicContact CB-CZ3 4.49Å; R227-W467 HydrophobicContact CG-CE3 4.37Å; R227-W467 HydrophobicContact CG-CH2 3.86Å; R227-W467 HydrophobicContact CG-CZ2 4.04Å; R227-W467 HydrophobicContact CG-CZ3 4.05Å; R227-L482 PolarHBondContact NH2-O 3.14Å; R227-V485 PolarHBondContact NH1-O 3.42Å; R227-V485 PolarHBondContact NH2-O 3.46Å
228	P	97.4	Very high	96	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.019	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-58.4	141	175.4	-24.4	32.8	0	0	0	111.3	F463 W467 V471 S472	P228-F463 HydrophobicContact CB-CE2 4.03Å; P228-F463 HydrophobicContact CB-CZ 4.38Å; P228-F463 HydrophobicContact CG-CE2 4.22Å; P228-F463 HydrophobicContact CG-CZ 4.36Å; P228-W467 VanDerWaalsContact CD-CD1 3.48Å; P228-W467 HydrophobicContact CG-CB 3.81Å; P228-W467 HydrophobicContact CG-CG 4.01Å; P228-V471 HydrophobicContact CB-CG1 3.79Å; P228-V471 HydrophobicContact CG-CG1 3.54Å; P228-S472 WeakPolarHBondContact CA-O 3.5Å
229	E	97.5	Very high	96	Very high	93 Å²	93	47.5 Å²	47.5	44%	0.435	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	150.4	169.8	-67.7	179.3	176.3	0	0	110.2	F231 T257 S472 A473 V474	E229-F231 HydrophobicContact CB-CE2 4.17Å; E229-T257 HydrophobicContact CB-CG2 4.15Å; E229-T257 WeakPolarHBondContact CB-OG1 3.26Å; E229-T257 HydrophobicContact CG-CG2 4.04Å; E229-T257 VanDerWaalsContact OE2-CG2 3.31Å; E229-T257 WeakPolarHBondContact OE2-CG2 3.43Å; E229-S472 PolarHBondContact N-O 3.44Å; E229-A473 HydrophobicContact CB-CB 3.86Å; E229-A473 CarbonylContact O-C 3.51Å; E229-A473 VanDerWaalsContact O-CA 3.22Å; E229-A473 WeakPolarHBondContact O-CA 3.46Å; E229-V474 PolarHBondContact O-N 2.87Å
230	V	98.2	Very high	96.1	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.5	-179.4	-176.5	0	0	0	0	108.7	V256 T257 F463 V474 P479 L482	V230-V256 CarbonylContact O-C 3.14Å; V230-V256 WeakPolarHBondContact O-CA 3.25Å; V230-V256 WeakPolarHBondContact O-CB 3.33Å; V230-T257 PolarHBondContact O-N 2.84Å; V230-F463 HydrophobicContact CG2-CE2 4.18Å; V230-F463 HydrophobicContact CG2-CZ 4.42Å; V230-V474 WeakPolarHBondContact CA-O 3.31Å; V230-V474 HydrophobicContact CG1-CG2 4.43Å; V230-V474 HydrophobicContact CG2-CG2 4.13Å; V230-P479 HydrophobicContact CG1-CB 3.77Å; V230-L482 HydrophobicContact CG1-CD1 4.4Å
231	F	98.3	Very high	96.2	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.9	172.9	-72.9	-108.7	0	0	0	109.3	E229 H233 G258 T355 V357 M392 T453 A473 V474 S476	E229-F231 HydrophobicContact CB-CE2 4.17Å; F231-H233 PolarHBondContact O-N 3.47Å; F231-G258 CarbonylContact C-O 3.48Å; F231-G258 WeakPolarHBondContact CA-O 3.48Å; F231-G258 VanDerWaalsContact CD1-CA 3.44Å; F231-T355 HydrophobicContact CE1-CG2 3.89Å; F231-T355 HydrophobicContact CZ-CG2 4.4Å; F231-V357 HydrophobicContact CD1-CG2 3.55Å; F231-V357 HydrophobicContact CE1-CG2 3.64Å; F231-M392 HydrophobicContact CE1-CE 4.42Å; F231-M392 HydrophobicContact CE1-SD 4.04Å; F231-M392 HydrophobicContact CZ-CE 3.96Å; F231-M392 HydrophobicContact CZ-SD 4.13Å; F231-T453 HydrophobicContact CD2-CG2 4.41Å; F231-A473 HydrophobicContact CD2-CB 3.9Å; F231-A473 HydrophobicContact CE2-CB 3.7Å; F231-V474 PolarHBondContact N-O 3.38Å; F231-S476 PolarHBondContact O-N 2.68Å
232	G	98.1	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	105.1	172.9	0	0	0	0	0	110.3	Q234 G235 G258 E260	G232-Q234 PolarHBondContact O-N 2.8Å; G232-G235 CarbonylContact C-O 3.59Å; G232-G235 WeakPolarHBondContact CA-O 3.22Å; G232-G235 PolarHBondContact O-N 3.46Å; G232-G258 PolarHBondContact N-O 3.13Å; G232-E260 PolarHBondContact O-N 3.28Å
233	H	97.6	Very high	96.6	Very high	9 Å²	9	31 Å²	31	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	112	177.7	-171.5	71.3	0	0	0	109.3	F231 G235 P237 E260 S475 S476 E477	F231-H233 PolarHBondContact O-N 3.47Å; H233-G235 CarbonylContact O-C 3.44Å; H233-G235 PolarHBondContact O-N 2.88Å; H233-G235 VanDerWaalsContact O-N 3.1Å; H233-P237 WeakPolarHBondContact O-CD 3.27Å; H233-P237 VanDerWaalsContact O-CG 3.32Å; H233-P237 WeakPolarHBondContact O-CG 3.4Å; H233-E260 IonicContact CE1-OE1 3.52Å; H233-E260 PolarHBondContact CE1-OE1 2.91Å; H233-E260 VanDerWaalsContact CE1-OE1 3.23Å; H233-E260 IonicContact CE1-OE2 3.33Å; H233-E260 IonicContact CG-OE2 3.51Å; H233-E260 IonicContact ND1-OE1 3.28Å; H233-E260 PolarHBondContact ND1-OE1 3.45Å; H233-E260 IonicContact ND1-OE2 2.69Å; H233-E260 PolarHBondContact ND1-OE2 3.16Å; H233-S475 WeakPolarHBondContact CB-OG 3.33Å; H233-S476 VanDerWaalsContact CB-C 3.46Å; H233-S476 WeakPolarHBondContact CB-O 3.49Å; H233-S476 PolarHBondContact N-O 2.89Å; H233-E477 HydrophobicContact CB-CG 4.14Å
234	Q	97.2	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.019	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	28.8	-175	-53.5	172.5	-0.5	0	0	113	G232 P237 E242 N243 S247 E260 D262 H275	G232-Q234 PolarHBondContact O-N 2.8Å; Q234-P237 HydrophobicContact CB-CG 4.01Å; Q234-E242 HydrophobicContact CB-CB 4.02Å; Q234-N243 PolarHBondContact O-N 3.35Å; Q234-S247 PolarHBondContact O-OG 3.44Å; Q234-S247 VanDerWaalsContact O-OG 3.05Å; Q234-E260 WeakPolarHBondContact CA-O 3.31Å; Q234-E260 PolarHBondContact N-O 3.29Å; Q234-D262 PolarHBondContact NE2-OD2 2.91Å; Q234-H275 PolarHBondContact NE2-CD2 2.88Å; Q234-H275 VanDerWaalsContact NE2-CG 3.29Å
235	G	96.9	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	89.5	-110.4	-168.8	0	0	0	0	0	111.9	G232 H233 S247	G232-G235 CarbonylContact C-O 3.59Å; G232-G235 WeakPolarHBondContact CA-O 3.22Å; G232-G235 PolarHBondContact O-N 3.46Å; H233-G235 CarbonylContact O-C 3.44Å; H233-G235 PolarHBondContact O-N 2.88Å; H233-G235 VanDerWaalsContact O-N 3.1Å; G235-S247 WeakPolarHBondContact CA-OG 3.41Å
236	V	96.5	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.			trans	-142	70.5	176.6	-161.9	0	0	0	0	111	M238 L239 A240 S247 R250 A251 M254 E477 P479	V236-M238 PolarHBondContact O-N 2.89Å; V236-L239 HydrophobicContact CG1-CB 4.22Å; V236-L239 HydrophobicContact CG1-CD1 4.48Å; V236-L239 HydrophobicContact CG1-CG 4.2Å; V236-L239 PolarHBondContact O-N 3.05Å; V236-A240 PolarHBondContact O-N 3.09Å; V236-S247 PolarHBondContact N-OG 2.91Å; V236-R250 HydrophobicContact CG2-CB 4.21Å; V236-A251 HydrophobicContact CG2-CB 3.45Å; V236-A251 VanDerWaalsContact CG2-CB 3.45Å; V236-A251 VanDerWaalsContact CG2-N 3.26Å; V236-M254 HydrophobicContact CB-CE 4.27Å; V236-M254 HydrophobicContact CB-SD 4.43Å; V236-M254 HydrophobicContact CG1-CE 3.69Å; V236-M254 HydrophobicContact CG1-SD 3.76Å; V236-M254 HydrophobicContact CG2-CE 3.98Å; V236-M254 HydrophobicContact CG2-SD 3.83Å; V236-E477 WeakPolarHBondContact CG1-O 3.49Å; V236-P479 HydrophobicContact CB-CG 4.49Å; V236-P479 HydrophobicContact CG1-CG 3.91Å; V236-P479 HydrophobicContact CG2-CG 4.04Å
237	P	95.3	Very high	97.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-33.4	-176.6	-31.8	37.2	0	0	0	114.2	H233 Q234 L239 A240 E242 F314 F320 E477	H233-P237 WeakPolarHBondContact O-CD 3.27Å; H233-P237 VanDerWaalsContact O-CG 3.32Å; H233-P237 WeakPolarHBondContact O-CG 3.4Å; Q234-P237 HydrophobicContact CB-CG 4.01Å; P237-L239 PolarHBondContact O-N 2.98Å; P237-A240 CarbonylContact C-O 3.58Å; P237-A240 VanDerWaalsContact CA-O 3.28Å; P237-A240 WeakPolarHBondContact CA-O 3.26Å; P237-E242 HydrophobicContact CB-CB 4.21Å; P237-E242 HydrophobicContact CG-CB 3.84Å; P237-F314 WeakPolarHBondContact O-CE2 3.36Å; P237-F320 HydrophobicContact CB-CE2 3.92Å; P237-F320 HydrophobicContact CB-CZ 3.92Å; P237-F320 WeakPolarHBondContact O-CD2 3.32Å; P237-F320 WeakPolarHBondContact O-CE2 3.45Å; P237-E477 HydrophobicContact CB-CB 4.28Å; P237-E477 HydrophobicContact CB-CG 4.24Å; P237-E477 HydrophobicContact CG-CB 4.29Å; P237-E477 HydrophobicContact CG-CG 4Å
238	M	95.2	Very high	97.2	Very high	36 Å²	36	13 Å²	13	18%	0.177	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.8	177.1	-69.7	-170.6	80.3	0	0	114.5	V236 F320 T322 E477 A478 I481	V236-M238 PolarHBondContact O-N 2.89Å; M238-F320 HydrophobicContact CB-CD1 4.43Å; M238-F320 HydrophobicContact CB-CG 4.37Å; M238-F320 HydrophobicContact CG-CD1 3.79Å; M238-F320 HydrophobicContact CG-CE1 3.92Å; M238-F320 HydrophobicContact CG-CG 4.23Å; M238-F320 HydrophobicContact CG-CZ 4.49Å; M238-T322 WeakPolarHBondContact O-CB 3.31Å; M238-T322 WeakPolarHBondContact O-CG2 3.19Å; M238-T322 PolarHBondContact O-OG1 2.95Å; M238-E477 WeakPolarHBondContact CB-O 3.46Å; M238-E477 HydrophobicContact CG-CB 4.12Å; M238-E477 WeakPolarHBondContact CG-O 3.36Å; M238-A478 HydrophobicContact SD-CB 3.24Å; M238-A478 WeakPolarHBondContact SD-CB 3.25Å; M238-I481 HydrophobicContact CE-CD1 3.84Å; M238-I481 HydrophobicContact SD-CD1 4.08Å
239	L	95.3	Very high	97.3	Very high	26 Å²	26	17.1 Å²	17.1	14%	0.136	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-10.8	-175.1	-59.6	-170.3	0	0	0	114.7	V236 P237 M254 T322 H480	V236-L239 HydrophobicContact CG1-CB 4.22Å; V236-L239 HydrophobicContact CG1-CD1 4.48Å; V236-L239 HydrophobicContact CG1-CG 4.2Å; V236-L239 PolarHBondContact O-N 3.05Å; P237-L239 PolarHBondContact O-N 2.98Å; L239-M254 HydrophobicContact CD1-CE 3.24Å; L239-M254 HydrophobicContact CG-CE 4.27Å; L239-T322 HydrophobicContact CD2-CG2 4.26Å; L239-H480 HydrophobicContact CD1-CB 4.19Å
240	A	96.8	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-156.6	157.6	-176.8	0	0	0	0	0	110.6	V236 P237 E242 W246 R250	V236-A240 PolarHBondContact O-N 3.09Å; P237-A240 CarbonylContact C-O 3.58Å; P237-A240 VanDerWaalsContact CA-O 3.28Å; P237-A240 WeakPolarHBondContact CA-O 3.26Å; A240-E242 PolarHBondContact O-N 2.99Å; A240-W246 HydrophobicContact CB-CG 4.45Å; A240-R250 HydrophobicContact CB-CG 4.2Å
241	P	97.4	Very high	97.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.			trans	-62.6	123.6	-177.8	-10.7	23.1	0	0	0	110.6	T244 S247 A310 W313 F314 T334 Q337	P241-T244 HydrophobicContact CB-CG2 3.89Å; P241-T244 WeakPolarHBondContact O-CB 3.47Å; P241-T244 WeakPolarHBondContact O-CG2 3.42Å; P241-T244 PolarHBondContact O-N 3.06Å; P241-T244 PolarHBondContact O-OG1 2.9Å; P241-S247 WeakPolarHBondContact O-CB 3.45Å; P241-A310 WeakPolarHBondContact CB-O 3.4Å; P241-W313 HydrophobicContact CB-CZ2 3.95Å; P241-F314 HydrophobicContact CB-CB 4.07Å; P241-F314 HydrophobicContact CB-CG 4.39Å; P241-F314 HydrophobicContact CG-CB 3.83Å; P241-F314 HydrophobicContact CG-CG 4.1Å; P241-T334 HydrophobicContact CG-CG2 3.69Å; P241-Q337 HydrophobicContact CG-CG 4.39Å
242	E	97.1	Very high	97.1	Very high	12 Å²	12	15.1 Å²	15.1	6%	0.056	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	148.6	-179.8	68	-172.9	-122.3	0	0	113.4	Q234 P237 A240 T244 R281 T282 W313	Q234-E242 HydrophobicContact CB-CB 4.02Å; P237-E242 HydrophobicContact CB-CB 4.21Å; P237-E242 HydrophobicContact CG-CB 3.84Å; A240-E242 PolarHBondContact O-N 2.99Å; E242-T244 PolarHBondContact O-N 3.24Å; E242-R281 IonicContact OE1-CZ 3.37Å; E242-R281 IonicContact OE1-NH1 3.62Å; E242-R281 IonicContact OE1-NH2 3.15Å; E242-R281 PolarHBondContact OE1-NH2 3.34Å; E242-R281 IonicContact OE2-CZ 3.01Å; E242-R281 IonicContact OE2-NH1 3.81Å; E242-R281 PolarHBondContact OE2-NH1 3.39Å; E242-R281 IonicContact OE2-NH2 2.95Å; E242-R281 PolarHBondContact OE2-NH2 3.32Å; E242-T282 HydrophobicContact CG-CG2 4.19Å; E242-W313 HydrophobicContact CG-CH2 4.46Å; E242-W313 HydrophobicContact CG-CZ2 4.16Å
243	N	97.8	Very high	97	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.037	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	23.1	176.2	-75	-53.6	0	0	0	115.3	Q234 D262 L273 C340	Q234-N243 PolarHBondContact O-N 3.35Å; N243-D262 PolarHBondContact OD1-N 3.25Å; N243-L273 HydrophobicContact CB-CB 3.87Å; N243-C340 VanDerWaalsContact O-CB 3.27Å; N243-C340 WeakPolarHBondContact O-CB 3.27Å
244	T	98.3	Very high	96.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	9%	0.093	C	C	.	.	S	Bend	trans	-106.6	155.2	173	67	0	0	0	0	112.3	P241 E242 W246 S247 F248 A310 Q337	P241-T244 HydrophobicContact CB-CG2 3.89Å; P241-T244 WeakPolarHBondContact O-CB 3.47Å; P241-T244 WeakPolarHBondContact O-CG2 3.42Å; P241-T244 PolarHBondContact O-N 3.06Å; P241-T244 PolarHBondContact O-OG1 2.9Å; E242-T244 PolarHBondContact O-N 3.24Å; T244-W246 PolarHBondContact O-N 2.94Å; T244-S247 WeakPolarHBondContact O-CB 3.29Å; T244-S247 PolarHBondContact O-N 2.9Å; T244-S247 PolarHBondContact OG1-N 3.28Å; T244-F248 WeakPolarHBondContact O-CD2 3.25Å; T244-F248 PolarHBondContact O-N 2.83Å; T244-F248 VanDerWaalsContact O-N 3.1Å; T244-A310 HydrophobicContact CG2-CB 4.16Å; T244-Q337 HydrophobicContact CG2-CB 3.86Å; T244-Q337 HydrophobicContact CG2-CG 4.26Å
245	L	97.7	Very high	96.7	Very high	50 Å²	50	25.7 Å²	25.7	26%	0.262	13%	0.126	S	C	.	.	H	α-helix	trans	-54.3	-38.2	174.7	-78.6	-178.4	0	0	0	112.5	F248 Q249 Q344 M348	L245-F248 PolarHBondContact O-N 3.21Å; L245-Q249 WeakPolarHBondContact O-CB 3.33Å; L245-Q249 PolarHBondContact O-N 2.88Å; L245-Q344 HydrophobicContact CD1-CB 4.31Å; L245-Q344 HydrophobicContact CD1-CG 4.5Å; L245-Q344 HydrophobicContact CD2-CB 4.03Å; L245-Q344 HydrophobicContact CG-CB 4.43Å; L245-M348 HydrophobicContact CB-CE 4.37Å; L245-M348 HydrophobicContact CD2-CE 3.76Å
246	W	97.6	Very high	96.7	Very high	14 Å²	14	26.3 Å²	26.3	5%	0.053	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.3	177.4	-128.5	0	0	0	112.8	A240 T244 Q249 R250 E330 L333 T334 Q337	A240-W246 HydrophobicContact CB-CG 4.45Å; T244-W246 PolarHBondContact O-N 2.94Å; W246-Q249 HydrophobicContact CE3-CB 4.28Å; W246-Q249 HydrophobicContact CZ3-CG 4.47Å; W246-Q249 PolarHBondContact O-N 2.94Å; W246-R250 HydrophobicContact CD2-CG 3.93Å; W246-R250 HydrophobicContact CE3-CG 4.2Å; W246-R250 HydrophobicContact CH2-CG 4.07Å; W246-R250 VanDerWaalsContact CZ2-CD 3.49Å; W246-R250 HydrophobicContact CZ2-CG 3.79Å; W246-R250 HydrophobicContact CZ3-CG 4.26Å; W246-R250 WeakPolarHBondContact O-CB 3.38Å; W246-R250 WeakPolarHBondContact O-CG 3.13Å; W246-R250 PolarHBondContact O-N 3.27Å; W246-E330 HydrophobicContact CZ2-CB 4.48Å; W246-E330 HydrophobicContact CZ2-CG 4.13Å; W246-L333 HydrophobicContact CD2-CB 4.32Å; W246-L333 HydrophobicContact CE3-CD1 4.34Å; W246-L333 HydrophobicContact CH2-CD1 3.75Å; W246-L333 HydrophobicContact CZ2-CD1 4.12Å; W246-L333 HydrophobicContact CZ3-CD1 3.87Å; W246-T334 PolarHBondContact NE1-OG1 3.47Å; W246-T334 VanDerWaalsContact NE1-OG1 3.15Å; W246-Q337 HydrophobicContact CB-CG 3.79Å; W246-Q337 VanDerWaalsContact CB-OE1 3.24Å
247	S	97.9	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-43.3	176.2	-178.1	0	0	0	0	112.3	Q234 G235 V236 P241 T244 R250 A251	Q234-S247 PolarHBondContact O-OG 3.44Å; Q234-S247 VanDerWaalsContact O-OG 3.05Å; G235-S247 WeakPolarHBondContact CA-OG 3.41Å; V236-S247 PolarHBondContact N-OG 2.91Å; P241-S247 WeakPolarHBondContact O-CB 3.45Å; T244-S247 WeakPolarHBondContact O-CB 3.29Å; T244-S247 PolarHBondContact O-N 2.9Å; T244-S247 PolarHBondContact OG1-N 3.28Å; S247-R250 WeakPolarHBondContact O-CB 3.39Å; S247-R250 PolarHBondContact O-N 2.88Å; S247-A251 PolarHBondContact O-N 2.99Å
248	F	98.4	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-41.2	174.4	-62.6	-60.3	0	0	0	112.8	T244 L245 R250 A251 L252 L259 A261 L273 L345 M348	T244-F248 WeakPolarHBondContact O-CD2 3.25Å; T244-F248 PolarHBondContact O-N 2.83Å; T244-F248 VanDerWaalsContact O-N 3.1Å; L245-F248 PolarHBondContact O-N 3.21Å; F248-R250 PolarHBondContact O-N 3.41Å; F248-A251 WeakPolarHBondContact O-CB 3.12Å; F248-A251 PolarHBondContact O-N 3.16Å; F248-A251 VanDerWaalsContact O-N 3.08Å; F248-L252 WeakPolarHBondContact O-CG 3.43Å; F248-L252 PolarHBondContact O-N 3.38Å; F248-L259 HydrophobicContact CB-CD1 4.1Å; F248-L259 HydrophobicContact CD1-CB 3.99Å; F248-L259 HydrophobicContact CD1-CD1 4.07Å; F248-L259 HydrophobicContact CD1-CD2 4.14Å; F248-L259 HydrophobicContact CD1-CG 4.28Å; F248-L259 HydrophobicContact CE1-CB 4.3Å; F248-L259 HydrophobicContact CG-CD1 4.37Å; F248-A261 HydrophobicContact CE1-CB 4.23Å; F248-A261 HydrophobicContact CZ-CB 3.8Å; F248-L273 HydrophobicContact CD2-CD1 4.46Å; F248-L273 HydrophobicContact CE2-CD1 3.39Å; F248-L273 HydrophobicContact CZ-CD1 3.76Å; F248-L345 HydrophobicContact CB-CD1 4.28Å; F248-L345 HydrophobicContact CD1-CD1 3.81Å; F248-L345 HydrophobicContact CD2-CD1 3.78Å; F248-L345 HydrophobicContact CE1-CD1 4.05Å; F248-L345 HydrophobicContact CE1-CD2 4.43Å; F248-L345 HydrophobicContact CE2-CD1 4.05Å; F248-L345 HydrophobicContact CE2-CD2 4.38Å; F248-L345 HydrophobicContact CG-CD1 3.68Å; F248-L345 HydrophobicContact CZ-CD1 4.18Å; F248-L345 HydrophobicContact CZ-CD2 4.13Å; F248-M348 HydrophobicContact CB-SD 3.74Å
249	Q	97.6	Very high	97.1	Very high	89 Å²	89	27 Å²	27	42%	0.416	14%	0.135	S	C	.	.	H	α-helix	trans	-60.5	-37.4	174.7	-171.6	178	13.2	0	0	111.7	L245 W246 L252 Q253 M348	L245-Q249 WeakPolarHBondContact O-CB 3.33Å; L245-Q249 PolarHBondContact O-N 2.88Å; W246-Q249 HydrophobicContact CE3-CB 4.28Å; W246-Q249 HydrophobicContact CZ3-CG 4.47Å; W246-Q249 PolarHBondContact O-N 2.94Å; Q249-L252 PolarHBondContact O-N 3.36Å; Q249-Q253 WeakPolarHBondContact O-CG 3.38Å; Q249-Q253 PolarHBondContact O-N 2.99Å; Q249-Q253 VanDerWaalsContact O-N 3.15Å; Q249-M348 HydrophobicContact CB-CE 4.19Å
250	R	96.7	Very high	97.2	Very high	41 Å²	41	25.8 Å²	25.8	16%	0.155	13%	0.129	C	C	.	.	H	α-helix	trans	-66.5	-39.3	174	-71.9	-76.1	-77.7	159.1	-12	111.8	V236 A240 W246 S247 F248 L252 Q253 M254 E330	V236-R250 HydrophobicContact CG2-CB 4.21Å; A240-R250 HydrophobicContact CB-CG 4.2Å; W246-R250 HydrophobicContact CD2-CG 3.93Å; W246-R250 HydrophobicContact CE3-CG 4.2Å; W246-R250 HydrophobicContact CH2-CG 4.07Å; W246-R250 VanDerWaalsContact CZ2-CD 3.49Å; W246-R250 HydrophobicContact CZ2-CG 3.79Å; W246-R250 HydrophobicContact CZ3-CG 4.26Å; W246-R250 WeakPolarHBondContact O-CB 3.38Å; W246-R250 WeakPolarHBondContact O-CG 3.13Å; W246-R250 PolarHBondContact O-N 3.27Å; S247-R250 WeakPolarHBondContact O-CB 3.39Å; S247-R250 PolarHBondContact O-N 2.88Å; F248-R250 PolarHBondContact O-N 3.41Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 3.38Å; R250-Q253 WeakPolarHBondContact O-CB 3.41Å; R250-Q253 PolarHBondContact O-N 3.25Å; R250-M254 WeakPolarHBondContact O-CG 3.31Å; R250-M254 PolarHBondContact O-N 3.05Å; R250-E330 IonicContact CZ-OE1 3.53Å; R250-E330 IonicContact NH2-OE1 3.97Å
251	A	97.7	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-43.6	175.2	0	0	0	0	0	111.1	V236 S247 F248 Q253 M254 N255 V256 L259	V236-A251 HydrophobicContact CG2-CB 3.45Å; V236-A251 VanDerWaalsContact CG2-CB 3.45Å; V236-A251 VanDerWaalsContact CG2-N 3.26Å; S247-A251 PolarHBondContact O-N 2.99Å; F248-A251 WeakPolarHBondContact O-CB 3.12Å; F248-A251 PolarHBondContact O-N 3.16Å; F248-A251 VanDerWaalsContact O-N 3.08Å; A251-Q253 VanDerWaalsContact C-N 3.33Å; A251-Q253 PolarHBondContact O-N 2.7Å; A251-M254 CarbonylContact O-C 3.52Å; A251-M254 WeakPolarHBondContact O-CA 3.26Å; A251-M254 WeakPolarHBondContact O-CB 3.37Å; A251-M254 PolarHBondContact O-N 3.39Å; A251-N255 PolarHBondContact O-N 3.39Å; A251-V256 HydrophobicContact CB-CG1 4.31Å; A251-V256 HydrophobicContact CB-CG2 3.84Å; A251-V256 WeakPolarHBondContact O-CG2 3.49Å; A251-L259 HydrophobicContact CB-CD2 3.59Å
252	L	97	Very high	97.2	Very high	26 Å²	26	26.2 Å²	26.2	14%	0.136	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-41.5	175.2	-67.8	172.7	0	0	0	112.4	F248 Q249 R250 M254 N255 M348 H352 I354	F248-L252 WeakPolarHBondContact O-CG 3.43Å; F248-L252 PolarHBondContact O-N 3.38Å; Q249-L252 PolarHBondContact O-N 3.36Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-L252 PolarHBondContact O-N 3.38Å; L252-M254 PolarHBondContact O-N 3.13Å; L252-M254 VanDerWaalsContact O-N 3.13Å; L252-N255 PolarHBondContact O-N 3.19Å; L252-M348 HydrophobicContact CD1-CG 3.81Å; L252-M348 HydrophobicContact CD1-SD 3.83Å; L252-H352 HydrophobicContact CD1-CB 4.37Å; L252-H352 HydrophobicContact CD2-CB 4.17Å; L252-I354 HydrophobicContact CD2-CB 4.42Å; L252-I354 HydrophobicContact CD2-CD1 3.41Å; L252-I354 VanDerWaalsContact CD2-CD1 3.41Å; L252-I354 HydrophobicContact CD2-CG1 4.49Å; L252-I354 HydrophobicContact CD2-CG2 4.19Å
253	Q	95.7	Very high	97.2	Very high	94 Å²	94	25.8 Å²	25.8	44%	0.439	13%	0.13	S	C	.	.	H	α-helix	trans	-62.5	-18.8	173.9	-67.4	167.4	8.5	0	0	113.1	Q249 R250 A251	Q249-Q253 WeakPolarHBondContact O-CG 3.38Å; Q249-Q253 PolarHBondContact O-N 2.99Å; Q249-Q253 VanDerWaalsContact O-N 3.15Å; R250-Q253 WeakPolarHBondContact O-CB 3.41Å; R250-Q253 PolarHBondContact O-N 3.25Å; A251-Q253 VanDerWaalsContact C-N 3.33Å; A251-Q253 PolarHBondContact O-N 2.7Å
254	M	94.8	Very high	97.2	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.049	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.9	176	-62.8	174	-161.7	0	0	113.3	V236 L239 R250 A251 L252 V256 P479 H480 R483	V236-M254 HydrophobicContact CB-CE 4.27Å; V236-M254 HydrophobicContact CB-SD 4.43Å; V236-M254 HydrophobicContact CG1-CE 3.69Å; V236-M254 HydrophobicContact CG1-SD 3.76Å; V236-M254 HydrophobicContact CG2-CE 3.98Å; V236-M254 HydrophobicContact CG2-SD 3.83Å; L239-M254 HydrophobicContact CD1-CE 3.24Å; L239-M254 HydrophobicContact CG-CE 4.27Å; R250-M254 WeakPolarHBondContact O-CG 3.31Å; R250-M254 PolarHBondContact O-N 3.05Å; A251-M254 CarbonylContact O-C 3.52Å; A251-M254 WeakPolarHBondContact O-CA 3.26Å; A251-M254 WeakPolarHBondContact O-CB 3.37Å; A251-M254 PolarHBondContact O-N 3.39Å; L252-M254 PolarHBondContact O-N 3.13Å; L252-M254 VanDerWaalsContact O-N 3.13Å; M254-V256 VanDerWaalsContact C-N 3.31Å; M254-V256 HydrophobicContact CB-CG1 4.34Å; M254-P479 HydrophobicContact SD-CB 4.28Å; M254-P479 HydrophobicContact SD-CG 3.73Å; M254-H480 HydrophobicContact CE-CB 3.98Å; M254-H480 HydrophobicContact CG-CB 4.43Å; M254-H480 HydrophobicContact SD-CB 3.64Å; M254-R483 VanDerWaalsContact CA-NH1 3.3Å; M254-R483 VanDerWaalsContact O-CD 3.3Å; M254-R483 WeakPolarHBondContact O-CD 3.46Å; M254-R483 PolarHBondContact O-NH1 3.35Å
255	N	94	Very high	97.2	Very high	132 Å²	132	25.5 Å²	25.5	71%	0.706	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	44.5	-175.4	-57.6	-20.3	0	0	0	112	A251 L252	A251-N255 PolarHBondContact O-N 3.39Å; L252-N255 PolarHBondContact O-N 3.19Å
256	V	97.1	Very high	97.2	Very high	12 Å²	12	23.1 Å²	23.1	7%	0.073	12%	0.116	C	C	.	.			trans	-64.7	153.5	168.9	-60.8	0	0	0	0	110.3	V230 A251 M254 G258 L259 I354 P479	V230-V256 CarbonylContact O-C 3.14Å; V230-V256 WeakPolarHBondContact O-CA 3.25Å; V230-V256 WeakPolarHBondContact O-CB 3.33Å; A251-V256 HydrophobicContact CB-CG1 4.31Å; A251-V256 HydrophobicContact CB-CG2 3.84Å; A251-V256 WeakPolarHBondContact O-CG2 3.49Å; M254-V256 VanDerWaalsContact C-N 3.31Å; M254-V256 HydrophobicContact CB-CG1 4.34Å; V256-G258 WeakPolarHBondContact CG2-O 3.32Å; V256-L259 HydrophobicContact CG2-CD2 3.74Å; V256-I354 HydrophobicContact CG2-CD1 4.02Å; V256-I354 WeakPolarHBondContact O-CD1 3.39Å; V256-P479 HydrophobicContact CG1-CB 3.65Å; V256-P479 HydrophobicContact CG1-CG 3.93Å
257	T	97.1	Very high	97.2	Very high	51 Å²	51	24.6 Å²	24.6	31%	0.313	13%	0.126	S	C	.	.	S	Bend	trans	-79.6	-26.9	178.7	-50.7	0	0	0	0	112.4	E229 V230 I354	E229-T257 HydrophobicContact CB-CG2 4.15Å; E229-T257 WeakPolarHBondContact CB-OG1 3.26Å; E229-T257 HydrophobicContact CG-CG2 4.04Å; E229-T257 VanDerWaalsContact OE2-CG2 3.31Å; E229-T257 WeakPolarHBondContact OE2-CG2 3.43Å; V230-T257 PolarHBondContact O-N 2.84Å; T257-I354 WeakPolarHBondContact O-CG1 3.14Å
258	G	97.8	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	167.5	178.7	0	0	0	0	0	113.2	F231 G232 V256 T355	F231-G258 CarbonylContact C-O 3.48Å; F231-G258 WeakPolarHBondContact CA-O 3.48Å; F231-G258 VanDerWaalsContact CD1-CA 3.44Å; G232-G258 PolarHBondContact N-O 3.13Å; V256-G258 WeakPolarHBondContact CG2-O 3.32Å; G258-T355 CarbonylContact C-O 3.59Å; G258-T355 WeakPolarHBondContact CA-O 3.37Å
259	L	98.4	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121	179.2	-54.3	176.9	0	0	0	108.5	F248 A251 V256 L345 I354 T355 V356 V357	F248-L259 HydrophobicContact CB-CD1 4.1Å; F248-L259 HydrophobicContact CD1-CB 3.99Å; F248-L259 HydrophobicContact CD1-CD1 4.07Å; F248-L259 HydrophobicContact CD1-CD2 4.14Å; F248-L259 HydrophobicContact CD1-CG 4.28Å; F248-L259 HydrophobicContact CE1-CB 4.3Å; F248-L259 HydrophobicContact CG-CD1 4.37Å; A251-L259 HydrophobicContact CB-CD2 3.59Å; V256-L259 HydrophobicContact CG2-CD2 3.74Å; L259-L345 HydrophobicContact CB-CD1 4.32Å; L259-L345 HydrophobicContact CD1-CD1 3.71Å; L259-I354 HydrophobicContact CD1-CG2 4.09Å; L259-I354 HydrophobicContact CD2-CD1 4.38Å; L259-I354 HydrophobicContact CG-CD1 4.21Å; L259-I354 HydrophobicContact CG-CG2 4.35Å; L259-T355 PolarHBondContact N-O 3.35Å; L259-V356 CarbonylContact O-C 3.56Å; L259-V356 WeakPolarHBondContact O-CA 3.32Å; L259-V357 PolarHBondContact O-N 3.28Å
260	E	98.2	Very high	97.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.6	171.8	-178.7	-171	165.1	0	0	109.5	G232 H233 Q234 V357 R359 S475	G232-E260 PolarHBondContact O-N 3.28Å; H233-E260 IonicContact CE1-OE1 3.52Å; H233-E260 PolarHBondContact CE1-OE1 2.91Å; H233-E260 VanDerWaalsContact CE1-OE1 3.23Å; H233-E260 IonicContact CE1-OE2 3.33Å; H233-E260 IonicContact CG-OE2 3.51Å; H233-E260 IonicContact ND1-OE1 3.28Å; H233-E260 PolarHBondContact ND1-OE1 3.45Å; H233-E260 IonicContact ND1-OE2 2.69Å; H233-E260 PolarHBondContact ND1-OE2 3.16Å; Q234-E260 WeakPolarHBondContact CA-O 3.31Å; Q234-E260 PolarHBondContact N-O 3.29Å; E260-V357 HydrophobicContact CB-CB 4.12Å; E260-V357 HydrophobicContact CG-CB 4.19Å; E260-V357 HydrophobicContact CG-CG1 4.36Å; E260-R359 WeakPolarHBondContact OE1-CD 3.45Å; E260-R359 IonicContact OE1-CZ 3.63Å; E260-R359 IonicContact OE1-NE 2.84Å; E260-R359 IonicContact OE1-NH1 2.67Å; E260-R359 PolarHBondContact OE1-NH1 3.11Å; E260-S475 WeakPolarHBondContact OE2-CB 3.37Å; E260-S475 PolarHBondContact OE2-OG 3.17Å
261	A	97.1	Very high	97.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.2	176.6	0	0	0	0	0	112.1	F248 L273 L345 V357 R359	F248-A261 HydrophobicContact CE1-CB 4.23Å; F248-A261 HydrophobicContact CZ-CB 3.8Å; A261-L273 HydrophobicContact CB-CD1 4.17Å; A261-L273 HydrophobicContact CB-CD2 3.96Å; A261-L345 HydrophobicContact CB-CD2 3.47Å; A261-L345 VanDerWaalsContact CB-CD2 3.47Å; A261-V357 PolarHBondContact N-O 2.76Å; A261-R359 WeakPolarHBondContact O-CB 3.36Å; A261-R359 PolarHBondContact O-N 3.29Å
262	D	96.6	Very high	97.4	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.4	174.3	-71.5	-75.4	0	0	0	110.5	Q234 N243 L273 M274 H275 R359	Q234-D262 PolarHBondContact NE2-OD2 2.91Å; N243-D262 PolarHBondContact OD1-N 3.25Å; D262-L273 CarbonylContact O-C 3.35Å; D262-L273 VanDerWaalsContact O-CA 3.25Å; D262-L273 WeakPolarHBondContact O-CA 3.47Å; D262-M274 WeakPolarHBondContact CB-O 3.47Å; D262-M274 PolarHBondContact O-N 2.63Å; D262-H275 HydrophobicContact CB-CB 4.4Å; D262-H275 IonicContact OD2-CD2 3.4Å; D262-H275 PolarHBondContact OD2-CD2 2.74Å; D262-H275 IonicContact OD2-CG 3.59Å; D262-R359 CarbonylContact C-O 3.57Å; D262-R359 IonicContact OD1-CZ 3.23Å; D262-R359 IonicContact OD1-NE 2.64Å; D262-R359 PolarHBondContact OD1-NE 3.35Å; D262-R359 IonicContact OD1-NH2 2.78Å; D262-R359 PolarHBondContact OD1-NH2 3.41Å; D262-R359 IonicContact OD2-CZ 2.7Å; D262-R359 IonicContact OD2-NH2 2.76Å; D262-R359 PolarHBondContact OD2-NH2 2.88Å
263	V	98.1	Very high	97.4	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.1	-175.5	-175.2	0	0	0	0	110.4	P271 F272 L273 L342 V358 R359 R361 T377	V263-P271 HydrophobicContact CG1-CB 3.92Å; V263-F272 WeakPolarHBondContact CA-O 3.39Å; V263-L273 HydrophobicContact CG2-CD2 3.92Å; V263-L342 HydrophobicContact CG1-CD2 4.13Å; V263-L342 HydrophobicContact CG2-CD1 3.92Å; V263-L342 HydrophobicContact CG2-CD2 4.37Å; V263-V358 HydrophobicContact CB-CG1 4.43Å; V263-V358 HydrophobicContact CG2-CG1 3.61Å; V263-R359 PolarHBondContact N-O 2.88Å; V263-R361 PolarHBondContact O-N 3.44Å; V263-T377 HydrophobicContact CG1-CG2 4.28Å
264	A	97.8	Very high	97.5	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	167.3	164.9	0	0	0	0	0	109.8	P271 F272	A264-P271 CarbonylContact O-C 3.2Å; A264-P271 WeakPolarHBondContact O-CA 3.48Å; A264-F272 HydrophobicContact CB-CD1 4.42Å; A264-F272 HydrophobicContact CB-CE1 3.88Å; A264-F272 HydrophobicContact CB-CE2 4.22Å; A264-F272 HydrophobicContact CB-CZ 3.77Å; A264-F272 PolarHBondContact N-O 3.49Å; A264-F272 PolarHBondContact O-N 2.96Å; A264-F272 VanDerWaalsContact O-O 3.12Å
265	I	98.1	Very high	97.5	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138	173.6	-168	163.5	0	0	0	110	S298 P363 F369 W373 E376	I265-S298 WeakPolarHBondContact O-CA 3.41Å; I265-S298 WeakPolarHBondContact O-CB 3.35Å; I265-S298 PolarHBondContact O-OG 3.42Å; I265-P363 HydrophobicContact CG2-CB 3.87Å; I265-P363 HydrophobicContact CG2-CG 3.77Å; I265-F369 HydrophobicContact CD1-CB 3.86Å; I265-F369 HydrophobicContact CD1-CD1 4.39Å; I265-F369 HydrophobicContact CD1-CG 4.09Å; I265-W373 HydrophobicContact CD1-CB 4.14Å; I265-W373 HydrophobicContact CG2-CB 4Å; I265-E376 HydrophobicContact CD1-CB 3.63Å; I265-E376 HydrophobicContact CD1-CG 3.84Å
266	S	98.2	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.			trans	-78.9	167.3	176.8	68.6	0	0	0	0	111.9	D268 G269 V270 S298 F300 H367	S266-D268 VanDerWaalsContact CB-OD1 3.23Å; S266-D268 WeakPolarHBondContact CB-OD1 3.45Å; S266-D268 PolarHBondContact O-N 3.48Å; S266-D268 PolarHBondContact OG-OD1 3.4Å; S266-G269 PolarHBondContact O-N 2.83Å; S266-G269 PolarHBondContact OG-N 3Å; S266-V270 PolarHBondContact N-O 2.97Å; S266-V270 WeakPolarHBondContact OG-CA 3.44Å; S266-V270 WeakPolarHBondContact OG-CB 3.42Å; S266-V270 PolarHBondContact OG-N 3.33Å; S266-V270 PolarHBondContact OG-O 2.82Å; S266-S298 CarbonylContact C-O 3.29Å; S266-F300 VanDerWaalsContact CB-O 3.27Å; S266-F300 WeakPolarHBondContact CB-O 3.24Å; S266-H367 PolarHBondContact O-CE1 3.44Å; S266-H367 VanDerWaalsContact O-CE1 3.23Å; S266-H367 PolarHBondContact O-NE2 3.34Å
267	V	97.8	Very high	97.3	Very high	44 Å²	44	19.6 Å²	19.6	27%	0.267	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.7	-176.8	77.1	0	0	0	0	113.2	S298 W299 F300 N301 H367 P368 F369	V267-S298 PolarHBondContact N-O 3.24Å; V267-W299 HydrophobicContact CG2-CE3 3.83Å; V267-W299 HydrophobicContact CG2-CZ3 4.09Å; V267-F300 PolarHBondContact N-O 2.87Å; V267-N301 HydrophobicContact CG1-CB 3.81Å; V267-H367 WeakPolarHBondContact CA-NE2 3.46Å; V267-P368 HydrophobicContact CG2-CG 4Å; V267-P368 WeakPolarHBondContact O-CG 3.41Å; V267-F369 WeakPolarHBondContact O-CE2 3.4Å
268	D	97.9	Very high	97.2	Very high	72 Å²	72	18.5 Å²	18.5	39%	0.385	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	11	175.1	58.1	-19	0	0	0	113.2	S266 N301 W302	S266-D268 VanDerWaalsContact CB-OD1 3.23Å; S266-D268 WeakPolarHBondContact CB-OD1 3.45Å; S266-D268 PolarHBondContact O-N 3.48Å; S266-D268 PolarHBondContact OG-OD1 3.4Å; D268-N301 HydrophobicContact CB-CB 4.32Å; D268-N301 WeakPolarHBondContact OD1-CA 3.37Å; D268-W302 PolarHBondContact OD1-N 3.17Å; D268-W302 PolarHBondContact OD2-N 2.82Å
269	G	97.5	Very high	97.1	Very high	10 Å²	10	18.5 Å²	18.5	10%	0.103	10%	0.104	C	C	.	.	S	Bend	trans	89.9	12.9	166.8	0	0	0	0	0	115.6	S266 P271 F369	S266-G269 PolarHBondContact O-N 2.83Å; S266-G269 PolarHBondContact OG-N 3Å; G269-P271 WeakPolarHBondContact O-CD 3.49Å; G269-F369 VanDerWaalsContact CA-CZ 3.46Å
270	V	98.3	Very high	96.9	Very high	42 Å²	42	21.7 Å²	21.7	26%	0.255	12%	0.116	S	C	.	.			trans	-91.9	119.3	179.5	-175.8	0	0	0	0	110.2	S266 W302	S266-V270 PolarHBondContact N-O 2.97Å; S266-V270 WeakPolarHBondContact OG-CA 3.44Å; S266-V270 WeakPolarHBondContact OG-CB 3.42Å; S266-V270 PolarHBondContact OG-N 3.33Å; S266-V270 PolarHBondContact OG-O 2.82Å; V270-W302 HydrophobicContact CB-CB 3.95Å; V270-W302 HydrophobicContact CB-CD2 4.35Å; V270-W302 HydrophobicContact CB-CG 4.08Å; V270-W302 HydrophobicContact CG1-CB 4.33Å; V270-W302 HydrophobicContact CG1-CD2 3.81Å; V270-W302 HydrophobicContact CG1-CE3 4.07Å; V270-W302 HydrophobicContact CG1-CG 3.91Å; V270-W302 HydrophobicContact CG2-CB 3.73Å; V270-W302 HydrophobicContact CG2-CG 4.01Å
271	P	98.5	Very high	96.8	Very high	4 Å²	4	22 Å²	22	3%	0.026	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.2	172.7	-18.9	33.2	0	0	0	111.9	V263 A264 G269 L342 V380	V263-P271 HydrophobicContact CG1-CB 3.92Å; A264-P271 CarbonylContact O-C 3.2Å; A264-P271 WeakPolarHBondContact O-CA 3.48Å; G269-P271 WeakPolarHBondContact O-CD 3.49Å; P271-L342 HydrophobicContact CB-CB 3.92Å; P271-L342 HydrophobicContact CB-CD2 3.99Å; P271-L342 PolarHBondContact O-N 3.22Å; P271-V380 HydrophobicContact CG-CB 4.39Å; P271-V380 HydrophobicContact CG-CG2 3.91Å
272	F	98.7	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.2	-178.3	72.8	-83.3	0	0	0	112	V263 A264 M274 A297 W302 L305 V339	V263-F272 WeakPolarHBondContact CA-O 3.39Å; A264-F272 HydrophobicContact CB-CD1 4.42Å; A264-F272 HydrophobicContact CB-CE1 3.88Å; A264-F272 HydrophobicContact CB-CE2 4.22Å; A264-F272 HydrophobicContact CB-CZ 3.77Å; A264-F272 PolarHBondContact N-O 3.49Å; A264-F272 PolarHBondContact O-N 2.96Å; A264-F272 VanDerWaalsContact O-O 3.12Å; F272-M274 HydrophobicContact CD2-CB 4.04Å; F272-M274 HydrophobicContact CE2-CB 3.59Å; F272-M274 HydrophobicContact CE2-CG 4.29Å; F272-A297 HydrophobicContact CE2-CB 4.18Å; F272-A297 HydrophobicContact CZ-CB 3.87Å; F272-W302 HydrophobicContact CB-CE3 4.23Å; F272-W302 HydrophobicContact CB-CZ3 3.67Å; F272-W302 HydrophobicContact CG-CZ3 4.48Å; F272-L305 HydrophobicContact CD1-CD1 3.71Å; F272-L305 HydrophobicContact CD2-CD1 4.12Å; F272-L305 HydrophobicContact CE1-CD1 3.66Å; F272-L305 HydrophobicContact CE2-CD1 4.06Å; F272-L305 HydrophobicContact CE2-CD2 4.19Å; F272-L305 HydrophobicContact CG-CD1 3.95Å; F272-L305 HydrophobicContact CZ-CD1 3.84Å; F272-L305 HydrophobicContact CZ-CD2 4.35Å; F272-V339 HydrophobicContact CB-CG1 4.35Å; F272-V339 HydrophobicContact CD2-CG1 3.67Å; F272-V339 HydrophobicContact CE2-CG1 4.43Å; F272-V339 HydrophobicContact CG-CG1 4.37Å
273	L	98.5	Very high	96.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.5	-174	-50	-174.2	0	0	0	111	N243 F248 A261 D262 V263 C340 L342 L345	N243-L273 HydrophobicContact CB-CB 3.87Å; F248-L273 HydrophobicContact CD2-CD1 4.46Å; F248-L273 HydrophobicContact CE2-CD1 3.39Å; F248-L273 HydrophobicContact CZ-CD1 3.76Å; A261-L273 HydrophobicContact CB-CD1 4.17Å; A261-L273 HydrophobicContact CB-CD2 3.96Å; D262-L273 CarbonylContact O-C 3.35Å; D262-L273 VanDerWaalsContact O-CA 3.25Å; D262-L273 WeakPolarHBondContact O-CA 3.47Å; V263-L273 HydrophobicContact CG2-CD2 3.92Å; L273-C340 HydrophobicContact CB-CB 4.31Å; L273-C340 HydrophobicContact CD1-CB 3.88Å; L273-C340 HydrophobicContact CG-CB 4.18Å; L273-C340 PolarHBondContact N-O 2.95Å; L273-L342 HydrophobicContact CD2-CB 4.42Å; L273-L342 HydrophobicContact CD2-CD1 4.22Å; L273-L345 HydrophobicContact CD1-CB 3.94Å; L273-L345 HydrophobicContact CD1-CD2 3.82Å; L273-L345 HydrophobicContact CD1-CG 4.46Å; L273-L345 HydrophobicContact CD2-CD2 4.28Å
274	M	97.3	Very high	96.7	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.039	13%	0.127	C	C	.	.			trans	-165.4	126.5	179.5	179.6	55.7	51.7	0	0	108.6	D262 F272 D276 L279 T283 A297 R361	D262-M274 WeakPolarHBondContact CB-O 3.47Å; D262-M274 PolarHBondContact O-N 2.63Å; F272-M274 HydrophobicContact CD2-CB 4.04Å; F272-M274 HydrophobicContact CE2-CB 3.59Å; F272-M274 HydrophobicContact CE2-CG 4.29Å; M274-D276 WeakPolarHBondContact CG-O 3.42Å; M274-D276 HydrophobicContact SD-CB 4.3Å; M274-L279 HydrophobicContact CE-CD2 3.53Å; M274-L279 HydrophobicContact SD-CD2 4.32Å; M274-T283 HydrophobicContact CE-CG2 4.37Å; M274-A297 HydrophobicContact CG-CB 4.07Å; M274-R361 PolarHBondContact O-NH1 2.73Å; M274-R361 PolarHBondContact O-NH2 3.33Å
275	H	95.1	Very high	96.7	Very high	42 Å²	42	23.7 Å²	23.7	19%	0.194	13%	0.126	C	C	.	.	S	Bend	trans	-80.1	-41.2	174.4	174.9	-99.9	0	0	0	112.5	W74 Q234 D262 R361	W74-H275 AromaticContact CE2-CE1 3.72Å; W74-H275 AromaticContact CZ2-CE1 3.84Å; W74-H275 AromaticContact NE1-CE1 3.69Å; W74-H275 AromaticContact NE1-ND1 3.66Å; Q234-H275 PolarHBondContact NE2-CD2 2.88Å; Q234-H275 VanDerWaalsContact NE2-CG 3.29Å; D262-H275 HydrophobicContact CB-CB 4.4Å; D262-H275 IonicContact OD2-CD2 3.4Å; D262-H275 PolarHBondContact OD2-CD2 2.74Å; D262-H275 IonicContact OD2-CG 3.59Å; H275-R361 PolarHBondContact O-NH1 3.11Å; H275-R361 PolarHBondContact O-NH2 3.45Å
276	D	93.5	Very high	96.6	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.027	14%	0.141	C	C	.	.	S	Bend	trans	-79.8	164.6	-171.6	-68.4	-5.3	0	0	0	113.1	W74 M274 T278 R281 R361	W74-D276 PolarHBondContact NE1-OD1 3.37Å; M274-D276 WeakPolarHBondContact CG-O 3.42Å; M274-D276 HydrophobicContact SD-CB 4.3Å; D276-T278 VanDerWaalsContact CB-O 3.31Å; D276-T278 WeakPolarHBondContact CB-O 3.36Å; D276-R281 IonicContact OD1-CZ 2.83Å; D276-R281 IonicContact OD1-NE 3.51Å; D276-R281 IonicContact OD1-NH2 3.17Å; D276-R281 PolarHBondContact OD1-NH2 3.23Å; D276-R281 VanDerWaalsContact OD2-CB 3.3Å; D276-R281 WeakPolarHBondContact OD2-CB 3.41Å; D276-R281 IonicContact OD2-CZ 3.71Å; D276-R281 VanDerWaalsContact OD2-CZ 3.29Å; D276-R281 IonicContact OD2-NE 2.82Å; D276-R281 PolarHBondContact OD2-NE 3.15Å; D276-R281 IonicContact OD2-NH2 3.47Å; D276-R281 PolarHBondContact OD2-NH2 2.99Å; D276-R281 VanDerWaalsContact OD2-NH2 3.09Å; D276-R361 PolarHBondContact O-NH1 3.11Å
277	L	92.7	Very high	96.5	Very high	114 Å²	114	33.1 Å²	33.1	60%	0.597	17%	0.172	S	C	*	.	S	Bend	trans	-70.2	-34.9	170.4	-178	62.5	0	0	0	111.8	A296 A297	L277-A296 HydrophobicContact CD1-CB 3.9Å; L277-A296 HydrophobicContact CG-CB 4.21Å; L277-A296 CarbonylContact O-C 3.6Å; L277-A296 WeakPolarHBondContact O-CA 3.37Å; L277-A297 PolarHBondContact O-N 2.93Å
278	T	94.7	Very high	96.5	Very high	28 Å²	28	33.4 Å²	33.4	17%	0.172	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-119.3	168.6	-178.6	75.2	0	0	0	0	110.7	D276	D276-T278 VanDerWaalsContact CB-O 3.31Å; D276-T278 WeakPolarHBondContact CB-O 3.36Å
279	L	96.4	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-89.1	-1.3	-177.7	-62.8	166.8	0	0	0	113.2	M274 R281 T283 V285 A297 F300 L305 L308	M274-L279 HydrophobicContact CE-CD2 3.53Å; M274-L279 HydrophobicContact SD-CD2 4.32Å; L279-R281 PolarHBondContact O-N 2.83Å; L279-T283 HydrophobicContact CB-CG2 4.32Å; L279-T283 HydrophobicContact CD2-CG2 4.33Å; L279-T283 WeakPolarHBondContact O-CB 3.41Å; L279-T283 PolarHBondContact O-N 2.79Å; L279-T283 VanDerWaalsContact O-N 3.13Å; L279-T283 PolarHBondContact O-OG1 2.92Å; L279-V285 HydrophobicContact CB-CB 3.88Å; L279-V285 HydrophobicContact CB-CG1 3.83Å; L279-V285 HydrophobicContact CB-CG2 4.19Å; L279-V285 HydrophobicContact CD1-CG2 4.32Å; L279-A297 HydrophobicContact CD1-CB 4.49Å; L279-A297 HydrophobicContact CD2-CB 3.66Å; L279-A297 HydrophobicContact CG-CB 3.79Å; L279-F300 HydrophobicContact CD1-CB 4.5Å; L279-F300 HydrophobicContact CD1-CD1 4.14Å; L279-F300 HydrophobicContact CD1-CD2 3.55Å; L279-F300 HydrophobicContact CD1-CE1 4.22Å; L279-F300 HydrophobicContact CD1-CE2 3.64Å; L279-F300 HydrophobicContact CD1-CG 3.81Å; L279-F300 HydrophobicContact CD1-CZ 3.98Å; L279-L305 HydrophobicContact CD1-CD2 3.61Å; L279-L305 HydrophobicContact CD2-CD2 3.87Å; L279-L305 HydrophobicContact CG-CD2 4.39Å; L279-L308 HydrophobicContact CB-CD1 4.44Å; L279-L308 HydrophobicContact CD1-CD1 3.63Å; L279-L308 HydrophobicContact CG-CD1 4.42Å
280	R	95	Very high	96.5	Very high	68 Å²	68	34 Å²	34	26%	0.257	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-38.3	-164	-64	-171	68.2	-137	-6.9	114.6	Y77 V285 D286 K293	Y77-R280 VanDerWaalsContact OH-CB 3.23Å; Y77-R280 WeakPolarHBondContact OH-CB 3.29Å; R280-V285 HydrophobicContact CB-CG1 4.4Å; R280-V285 HydrophobicContact CG-CG1 3.96Å; R280-D286 WeakPolarHBondContact CG-OD1 3.17Å; R280-D286 IonicContact CZ-OD2 3.4Å; R280-D286 IonicContact NE-OD1 3.23Å; R280-D286 PolarHBondContact NE-OD1 3.17Å; R280-D286 VanDerWaalsContact NE-OD1 3.15Å; R280-D286 IonicContact NE-OD2 3.55Å; R280-D286 PolarHBondContact NE-OD2 3.11Å; R280-D286 IonicContact NH2-OD2 2.83Å; R280-D286 PolarHBondContact NH2-OD2 2.92Å; R280-K293 VanDerWaalsContact CD-O 3.28Å; R280-K293 WeakPolarHBondContact CD-O 3.08Å; R280-K293 HydrophobicContact CG-CB 4.22Å; R280-K293 WeakPolarHBondContact CG-O 3.22Å
281	R	94.6	Very high	96.4	Very high	9 Å²	9	39.8 Å²	39.8	3%	0.034	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-43.2	-175.2	-172.1	174.3	55.4	87.4	1.3	112.2	Y77 W83 E242 D276 L279	Y77-R281 HydrophobicContact CD1-CB 4.37Å; Y77-R281 HydrophobicContact CD1-CG 4.41Å; Y77-R281 HydrophobicContact CE1-CB 3.7Å; Y77-R281 HydrophobicContact CE1-CG 4.22Å; Y77-R281 HydrophobicContact CE2-CB 4.14Å; Y77-R281 HydrophobicContact CE2-CG 4.33Å; Y77-R281 PolarHBondContact OH-N 3.17Å; W83-R281 VanDerWaalsContact CE3-CD 3.44Å; W83-R281 HydrophobicContact CE3-CG 3.96Å; W83-R281 VanDerWaalsContact CZ3-CD 3.45Å; W83-R281 HydrophobicContact CZ3-CG 4.39Å; E242-R281 IonicContact OE1-CZ 3.37Å; E242-R281 IonicContact OE1-NH1 3.62Å; E242-R281 IonicContact OE1-NH2 3.15Å; E242-R281 PolarHBondContact OE1-NH2 3.34Å; E242-R281 IonicContact OE2-CZ 3.01Å; E242-R281 IonicContact OE2-NH1 3.81Å; E242-R281 PolarHBondContact OE2-NH1 3.39Å; E242-R281 IonicContact OE2-NH2 2.95Å; E242-R281 PolarHBondContact OE2-NH2 3.32Å; D276-R281 IonicContact OD1-CZ 2.83Å; D276-R281 IonicContact OD1-NE 3.51Å; D276-R281 IonicContact OD1-NH2 3.17Å; D276-R281 PolarHBondContact OD1-NH2 3.23Å; D276-R281 VanDerWaalsContact OD2-CB 3.3Å; D276-R281 WeakPolarHBondContact OD2-CB 3.41Å; D276-R281 IonicContact OD2-CZ 3.71Å; D276-R281 VanDerWaalsContact OD2-CZ 3.29Å; D276-R281 IonicContact OD2-NE 2.82Å; D276-R281 PolarHBondContact OD2-NE 3.15Å; D276-R281 IonicContact OD2-NH2 3.47Å; D276-R281 PolarHBondContact OD2-NH2 2.99Å; D276-R281 VanDerWaalsContact OD2-NH2 3.09Å; L279-R281 PolarHBondContact O-N 2.83Å
282	T	96.2	Very high	96.3	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.031	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9.7	-166	56.8	0	0	0	0	113.2	E242 A310 W313	E242-T282 HydrophobicContact CG-CG2 4.19Å; T282-A310 VanDerWaalsContact O-CA 3.3Å; T282-A310 WeakPolarHBondContact O-CA 3.25Å; T282-W313 HydrophobicContact CG2-CH2 4.16Å; T282-W313 HydrophobicContact CG2-CZ2 3.81Å; T282-W313 PolarHBondContact O-NE1 3.22Å
283	T	97.6	Very high	96	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	23%	0.234	C	C	.	.	S	Bend	trans	-144.8	173	175.8	80.4	0	0	0	0	113.4	M274 L279 V285 L308 N309 A310 V339	M274-T283 HydrophobicContact CE-CG2 4.37Å; L279-T283 HydrophobicContact CB-CG2 4.32Å; L279-T283 HydrophobicContact CD2-CG2 4.33Å; L279-T283 WeakPolarHBondContact O-CB 3.41Å; L279-T283 PolarHBondContact O-N 2.79Å; L279-T283 VanDerWaalsContact O-N 3.13Å; L279-T283 PolarHBondContact O-OG1 2.92Å; T283-V285 VanDerWaalsContact C-N 3.3Å; T283-V285 PolarHBondContact O-N 2.59Å; T283-V285 PolarHBondContact OG1-N 3.37Å; T283-L308 HydrophobicContact CG2-CB 4.45Å; T283-L308 HydrophobicContact CG2-CD1 4.43Å; T283-N309 CarbonylContact C-O 3.6Å; T283-N309 WeakPolarHBondContact CA-O 3.48Å; T283-N309 VanDerWaalsContact CB-O 3.31Å; T283-N309 WeakPolarHBondContact CB-O 3.28Å; T283-A310 HydrophobicContact CG2-CB 4.38Å; T283-V339 HydrophobicContact CG2-CG2 4.14Å
284	N	97.3	Very high	95.7	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.171	26%	0.263	C	S	.	.			trans	-89.6	30.3	171.5	72.1	-26.6	0	0	0	114.1	D286 E287 V288 L308 N309	N284-D286 PolarHBondContact O-N 3.03Å; N284-E287 WeakPolarHBondContact O-CB 3.43Å; N284-E287 PolarHBondContact O-N 3.38Å; N284-V288 WeakPolarHBondContact ND2-CG2 3.48Å; N284-V288 PolarHBondContact O-N 3.5Å; N284-V288 VanDerWaalsContact O-N 3.13Å; N284-L308 WeakPolarHBondContact OD1-CA 3.46Å; N284-N309 HydrophobicContact CB-CB 4.43Å; N284-N309 PolarHBondContact N-O 2.73Å; N284-N309 PolarHBondContact OD1-N 2.93Å
285	V	97.6	Very high	95.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.3	-32.8	179.5	70.3	0	0	0	0	113.2	L279 R280 T283 E287 V288 F289 K293 F300 L308	L279-V285 HydrophobicContact CB-CB 3.88Å; L279-V285 HydrophobicContact CB-CG1 3.83Å; L279-V285 HydrophobicContact CB-CG2 4.19Å; L279-V285 HydrophobicContact CD1-CG2 4.32Å; R280-V285 HydrophobicContact CB-CG1 4.4Å; R280-V285 HydrophobicContact CG-CG1 3.96Å; T283-V285 VanDerWaalsContact C-N 3.3Å; T283-V285 PolarHBondContact O-N 2.59Å; T283-V285 PolarHBondContact OG1-N 3.37Å; V285-E287 PolarHBondContact O-N 3.49Å; V285-V288 PolarHBondContact O-N 2.81Å; V285-F289 HydrophobicContact CG2-CB 4.13Å; V285-F289 HydrophobicContact CG2-CD2 4.36Å; V285-F289 CarbonylContact O-C 3.51Å; V285-F289 WeakPolarHBondContact O-CA 3.33Å; V285-F289 PolarHBondContact O-N 3.4Å; V285-K293 HydrophobicContact CG1-CB 4.36Å; V285-F300 HydrophobicContact CG2-CE1 4.08Å; V285-F300 HydrophobicContact CG2-CZ 3.81Å; V285-L308 HydrophobicContact CB-CD1 4.3Å; V285-L308 HydrophobicContact CB-CD2 4.25Å; V285-L308 HydrophobicContact CG2-CD1 4.48Å
286	D	95.2	Very high	95.7	Very high	60 Å²	60	53.9 Å²	53.9	32%	0.321	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-25.7	178.5	-76.2	23.9	0	0	0	111.7	R280 N284 K293	R280-D286 WeakPolarHBondContact CG-OD1 3.17Å; R280-D286 IonicContact CZ-OD2 3.4Å; R280-D286 IonicContact NE-OD1 3.23Å; R280-D286 PolarHBondContact NE-OD1 3.17Å; R280-D286 VanDerWaalsContact NE-OD1 3.15Å; R280-D286 IonicContact NE-OD2 3.55Å; R280-D286 PolarHBondContact NE-OD2 3.11Å; R280-D286 IonicContact NH2-OD2 2.83Å; R280-D286 PolarHBondContact NH2-OD2 2.92Å; N284-D286 PolarHBondContact O-N 3.03Å; D286-K293 WeakPolarHBondContact OD1-CB 3.42Å
287	E	96.8	Very high	95.8	Very high	140 Å²	140	53.7 Å²	53.7	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-92.7	-44.4	178.9	-60.9	175.1	-177.3	0	0	112	N284 V285	N284-E287 WeakPolarHBondContact O-CB 3.43Å; N284-E287 PolarHBondContact O-N 3.38Å; V285-E287 PolarHBondContact O-N 3.49Å
288	V	97.8	Very high	96.1	Very high	49 Å²	49	48.7 Å²	48.7	30%	0.297	25%	0.249	S	C	.	.	H	α-helix	trans	-81	-37.1	-174.6	-176.6	0	0	0	0	111.9	N284 V285 L308	N284-V288 WeakPolarHBondContact ND2-CG2 3.48Å; N284-V288 PolarHBondContact O-N 3.5Å; N284-V288 VanDerWaalsContact O-N 3.13Å; V285-V288 PolarHBondContact O-N 2.81Å; V288-L308 HydrophobicContact CB-CD2 3.82Å; V288-L308 HydrophobicContact CG1-CD2 4.2Å; V288-L308 HydrophobicContact CG2-CD2 4.02Å
289	F	97.9	Very high	96.2	Very high	30 Å²	30	50.7 Å²	50.7	13%	0.132	25%	0.254	C	S	.	.			trans	-136	64.5	-176.7	-56.8	-59.4	0	0	0	112	V285 D291 R292 K293 F300 D304 L308	V285-F289 HydrophobicContact CG2-CB 4.13Å; V285-F289 HydrophobicContact CG2-CD2 4.36Å; V285-F289 CarbonylContact O-C 3.51Å; V285-F289 WeakPolarHBondContact O-CA 3.33Å; V285-F289 PolarHBondContact O-N 3.4Å; F289-D291 VanDerWaalsContact C-N 3.26Å; F289-D291 PolarHBondContact O-N 3.34Å; F289-D291 VanDerWaalsContact O-N 3.16Å; F289-R292 HydrophobicContact CB-CB 4.31Å; F289-R292 PolarHBondContact O-N 2.94Å; F289-K293 PolarHBondContact O-N 3.09Å; F289-F300 HydrophobicContact CB-CE1 4.17Å; F289-F300 HydrophobicContact CD2-CD1 4.27Å; F289-F300 AromaticContact CD2-CE1 3.78Å; F289-F300 HydrophobicContact CD2-CE1 3.78Å; F289-F300 HydrophobicContact CE2-CE1 4.48Å; F289-F300 HydrophobicContact CG-CE1 4.16Å; F289-D304 HydrophobicContact CE2-CB 3.85Å; F289-D304 HydrophobicContact CZ-CB 3.79Å; F289-L308 HydrophobicContact CD2-CD2 3.96Å; F289-L308 HydrophobicContact CE2-CD2 4.01Å; F289-L308 HydrophobicContact CE2-CG 4.44Å
290	P	96.3	Very high	96.3	Very high	66 Å²	66	50.7 Å²	50.7	43%	0.429	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-56.9	-36.7	-172.4	21.8	-33.9	0	0	0	113.6	R292 K293	P290-R292 VanDerWaalsContact C-N 3.25Å; P290-R292 PolarHBondContact O-N 2.85Å; P290-K293 WeakPolarHBondContact O-CG 3.37Å
291	D	97.1	Very high	96.4	Very high	162 Å²	162	49.9 Å²	49.9	87%	0.866	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-73.4	-15.5	-179.5	-59	-37.7	0	0	0	113.6	F289	F289-D291 VanDerWaalsContact C-N 3.26Å; F289-D291 PolarHBondContact O-N 3.34Å; F289-D291 VanDerWaalsContact O-N 3.16Å
292	R	95.9	Very high	96.6	Very high	69 Å²	69	51.2 Å²	51.2	26%	0.26	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-114.9	6.2	-177.4	-60.4	-171.9	-68.5	169.4	-2.9	113.2	F289 P290 T294 K295 F300 D304	F289-R292 HydrophobicContact CB-CB 4.31Å; F289-R292 PolarHBondContact O-N 2.94Å; P290-R292 VanDerWaalsContact C-N 3.25Å; P290-R292 PolarHBondContact O-N 2.85Å; R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 3.3Å; R292-K295 HydrophobicContact CB-CB 4.35Å; R292-K295 WeakPolarHBondContact O-CB 3.34Å; R292-K295 PolarHBondContact O-N 2.81Å; R292-F300 HydrophobicContact CB-CE1 4.01Å; R292-F300 HydrophobicContact CB-CZ 3.62Å; R292-F300 WeakPolarHBondContact O-CZ 3.4Å; R292-D304 IonicContact CZ-OD2 3.25Å; R292-D304 VanDerWaalsContact CZ-OD2 3.25Å; R292-D304 IonicContact NH1-OD2 2.77Å; R292-D304 PolarHBondContact NH1-OD2 3.36Å; R292-D304 IonicContact NH2-OD1 3.91Å; R292-D304 IonicContact NH2-OD2 2.77Å; R292-D304 PolarHBondContact NH2-OD2 2.93Å
293	K	92.9	Very high	96.7	Very high	82 Å²	82	55 Å²	55	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.4	-172.8	64.7	-175.3	178.4	178.9	0	114.9	R280 V285 D286 F289 P290 K295	R280-K293 VanDerWaalsContact CD-O 3.28Å; R280-K293 WeakPolarHBondContact CD-O 3.08Å; R280-K293 HydrophobicContact CG-CB 4.22Å; R280-K293 WeakPolarHBondContact CG-O 3.22Å; V285-K293 HydrophobicContact CG1-CB 4.36Å; D286-K293 WeakPolarHBondContact OD1-CB 3.42Å; F289-K293 PolarHBondContact O-N 3.09Å; P290-K293 WeakPolarHBondContact O-CG 3.37Å; K293-K295 VanDerWaalsContact C-N 3.29Å
294	T	92.9	Very high	96.7	Very high	102 Å²	102	55.6 Å²	55.6	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.8	178.8	54.1	0	0	0	0	113.3	R292	R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 3.3Å
295	K	95.1	Very high	96.8	Very high	84 Å²	84	54 Å²	54	37%	0.365	28%	0.277	S	S	.	.	S	Bend	trans	-69.9	142.2	179	-154.7	-177.7	-169	-166.7	0	109.1	R292 K293 A297 W299 F300	R292-K295 HydrophobicContact CB-CB 4.35Å; R292-K295 WeakPolarHBondContact O-CB 3.34Å; R292-K295 PolarHBondContact O-N 2.81Å; K293-K295 VanDerWaalsContact C-N 3.29Å; K295-A297 PolarHBondContact O-N 3.37Å; K295-W299 HydrophobicContact CD-CB 3.58Å; K295-W299 HydrophobicContact CD-CG 4.26Å; K295-W299 HydrophobicContact CG-CB 3.79Å; K295-W299 HydrophobicContact CG-CG 4.2Å; K295-F300 HydrophobicContact CB-CE2 4.02Å
296	A	95.9	Very high	96.8	Very high	15 Å²	15	57.8 Å²	57.8	12%	0.124	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-59.3	141.9	176.7	0	0	0	0	0	110.7	L277 S298 W299 P364	L277-A296 HydrophobicContact CD1-CB 3.9Å; L277-A296 HydrophobicContact CG-CB 4.21Å; L277-A296 CarbonylContact O-C 3.6Å; L277-A296 WeakPolarHBondContact O-CA 3.37Å; A296-S298 PolarHBondContact O-N 2.87Å; A296-S298 VanDerWaalsContact O-N 3.16Å; A296-W299 WeakPolarHBondContact O-CB 3.35Å; A296-W299 PolarHBondContact O-N 2.86Å; A296-P364 HydrophobicContact CB-CG 4.46Å
297	A	96.9	Very high	96.9	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.5	-175.4	0	0	0	0	0	112.3	F272 M274 L277 L279 K295 W299 F300	F272-A297 HydrophobicContact CE2-CB 4.18Å; F272-A297 HydrophobicContact CZ-CB 3.87Å; M274-A297 HydrophobicContact CG-CB 4.07Å; L277-A297 PolarHBondContact O-N 2.93Å; L279-A297 HydrophobicContact CD1-CB 4.49Å; L279-A297 HydrophobicContact CD2-CB 3.66Å; L279-A297 HydrophobicContact CG-CB 3.79Å; K295-A297 PolarHBondContact O-N 3.37Å; A297-W299 PolarHBondContact O-N 3.16Å; A297-W299 VanDerWaalsContact O-N 3.13Å; A297-F300 PolarHBondContact O-N 3.11Å
298	S	97.5	Very high	97	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.063	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.6	176.2	-65	0	0	0	0	114.7	I265 S266 V267 A296 F300 H367	I265-S298 WeakPolarHBondContact O-CA 3.41Å; I265-S298 WeakPolarHBondContact O-CB 3.35Å; I265-S298 PolarHBondContact O-OG 3.42Å; S266-S298 CarbonylContact C-O 3.29Å; V267-S298 PolarHBondContact N-O 3.24Å; A296-S298 PolarHBondContact O-N 2.87Å; A296-S298 VanDerWaalsContact O-N 3.16Å; S298-F300 VanDerWaalsContact C-N 3.28Å; S298-F300 PolarHBondContact O-N 2.95Å; S298-H367 PolarHBondContact O-NE2 3.07Å
299	W	97.6	Very high	97	Very high	70 Å²	70	52 Å²	52	27%	0.265	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-85	0.8	179.6	-75.4	120.5	0	0	0	114.9	V267 K295 A296 A297 P364 D366	V267-W299 HydrophobicContact CG2-CE3 3.83Å; V267-W299 HydrophobicContact CG2-CZ3 4.09Å; K295-W299 HydrophobicContact CD-CB 3.58Å; K295-W299 HydrophobicContact CD-CG 4.26Å; K295-W299 HydrophobicContact CG-CB 3.79Å; K295-W299 HydrophobicContact CG-CG 4.2Å; A296-W299 WeakPolarHBondContact O-CB 3.35Å; A296-W299 PolarHBondContact O-N 2.86Å; A297-W299 PolarHBondContact O-N 3.16Å; A297-W299 VanDerWaalsContact O-N 3.13Å; W299-P364 HydrophobicContact CZ2-CB 4.48Å; W299-D366 HydrophobicContact CH2-CB 4.32Å; W299-D366 WeakPolarHBondContact CH2-O 3.03Å; W299-D366 HydrophobicContact CZ2-CB 4.31Å
300	F	98.3	Very high	97.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-89.8	147.2	171	-69.9	-102.6	0	0	0	109.1	S266 V267 L279 V285 F289 R292 K295 A297 S298 D304 L305	S266-F300 VanDerWaalsContact CB-O 3.27Å; S266-F300 WeakPolarHBondContact CB-O 3.24Å; V267-F300 PolarHBondContact N-O 2.87Å; L279-F300 HydrophobicContact CD1-CB 4.5Å; L279-F300 HydrophobicContact CD1-CD1 4.14Å; L279-F300 HydrophobicContact CD1-CD2 3.55Å; L279-F300 HydrophobicContact CD1-CE1 4.22Å; L279-F300 HydrophobicContact CD1-CE2 3.64Å; L279-F300 HydrophobicContact CD1-CG 3.81Å; L279-F300 HydrophobicContact CD1-CZ 3.98Å; V285-F300 HydrophobicContact CG2-CE1 4.08Å; V285-F300 HydrophobicContact CG2-CZ 3.81Å; F289-F300 HydrophobicContact CB-CE1 4.17Å; F289-F300 HydrophobicContact CD2-CD1 4.27Å; F289-F300 AromaticContact CD2-CE1 3.78Å; F289-F300 HydrophobicContact CD2-CE1 3.78Å; F289-F300 HydrophobicContact CE2-CE1 4.48Å; F289-F300 HydrophobicContact CG-CE1 4.16Å; R292-F300 HydrophobicContact CB-CE1 4.01Å; R292-F300 HydrophobicContact CB-CZ 3.62Å; R292-F300 WeakPolarHBondContact O-CZ 3.4Å; K295-F300 HydrophobicContact CB-CE2 4.02Å; A297-F300 PolarHBondContact O-N 3.11Å; S298-F300 VanDerWaalsContact C-N 3.28Å; S298-F300 PolarHBondContact O-N 2.95Å; F300-D304 HydrophobicContact CD1-CB 4.16Å; F300-L305 HydrophobicContact CB-CD1 4.42Å; F300-L305 HydrophobicContact CB-CD2 3.86Å; F300-L305 HydrophobicContact CB-CG 3.84Å; F300-L305 HydrophobicContact CG-CD2 4.46Å
301	N	98.1	Very high	97.1	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.273	24%	0.24	S	C	.	.			trans	-82.6	164.6	169.4	65.9	36.7	0	0	0	109.6	V267 D268 T303 D304 L305	V267-N301 HydrophobicContact CG1-CB 3.81Å; D268-N301 HydrophobicContact CB-CB 4.32Å; D268-N301 WeakPolarHBondContact OD1-CA 3.37Å; N301-T303 VanDerWaalsContact C-N 3.31Å; N301-T303 PolarHBondContact O-N 3.47Å; N301-T303 PolarHBondContact OD1-N 3.37Å; N301-D304 PolarHBondContact O-N 3.44Å; N301-D304 VanDerWaalsContact OD1-CB 3.26Å; N301-D304 WeakPolarHBondContact OD1-CB 3.44Å; N301-D304 PolarHBondContact OD1-N 3.14Å; N301-D304 PolarHBondContact OD1-OD1 2.82Å; N301-L305 WeakPolarHBondContact O-CG 3.31Å; N301-L305 PolarHBondContact O-N 3Å; N301-L305 VanDerWaalsContact O-N 3.08Å
302	W	98.3	Very high	97.1	Very high	37 Å²	37	44.8 Å²	44.8	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-38.3	-176.8	-177.9	-122.3	0	0	0	112.6	D268 V270 F272 D304 L305 Q306 V339	D268-W302 PolarHBondContact OD1-N 3.17Å; D268-W302 PolarHBondContact OD2-N 2.82Å; V270-W302 HydrophobicContact CB-CB 3.95Å; V270-W302 HydrophobicContact CB-CD2 4.35Å; V270-W302 HydrophobicContact CB-CG 4.08Å; V270-W302 HydrophobicContact CG1-CB 4.33Å; V270-W302 HydrophobicContact CG1-CD2 3.81Å; V270-W302 HydrophobicContact CG1-CE3 4.07Å; V270-W302 HydrophobicContact CG1-CG 3.91Å; V270-W302 HydrophobicContact CG2-CB 3.73Å; V270-W302 HydrophobicContact CG2-CG 4.01Å; F272-W302 HydrophobicContact CB-CE3 4.23Å; F272-W302 HydrophobicContact CB-CZ3 3.67Å; F272-W302 HydrophobicContact CG-CZ3 4.48Å; W302-D304 VanDerWaalsContact C-N 3.28Å; W302-D304 PolarHBondContact O-N 2.95Å; W302-L305 HydrophobicContact CE3-CB 4.03Å; W302-L305 HydrophobicContact CE3-CD1 4.04Å; W302-L305 HydrophobicContact CZ3-CB 4.25Å; W302-L305 PolarHBondContact O-N 2.56Å; W302-Q306 HydrophobicContact CD2-CG 3.98Å; W302-Q306 VanDerWaalsContact CE2-CG 3.5Å; W302-Q306 HydrophobicContact CG-CG 4.39Å; W302-Q306 HydrophobicContact CH2-CG 4.21Å; W302-Q306 HydrophobicContact CZ2-CG 3.64Å; W302-Q306 WeakPolarHBondContact O-CG 3.42Å; W302-Q306 PolarHBondContact O-N 3.21Å; W302-V339 HydrophobicContact CZ3-CG1 4.24Å
303	T	98.1	Very high	97.1	Very high	86 Å²	86	42.3 Å²	42.3	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-38	177.6	-54.3	0	0	0	0	112.4	N301 Q307	N301-T303 VanDerWaalsContact C-N 3.31Å; N301-T303 PolarHBondContact O-N 3.47Å; N301-T303 PolarHBondContact OD1-N 3.37Å; T303-Q307 WeakPolarHBondContact O-CG 3.18Å; T303-Q307 PolarHBondContact O-NE2 2.92Å
304	D	98.2	Very high	97.2	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-45.9	175.5	-73.2	-12.9	0	0	0	110.7	F289 R292 F300 N301 W302 Q306 Q307	F289-D304 HydrophobicContact CE2-CB 3.85Å; F289-D304 HydrophobicContact CZ-CB 3.79Å; R292-D304 IonicContact CZ-OD2 3.25Å; R292-D304 VanDerWaalsContact CZ-OD2 3.25Å; R292-D304 IonicContact NH1-OD2 2.77Å; R292-D304 PolarHBondContact NH1-OD2 3.36Å; R292-D304 IonicContact NH2-OD1 3.91Å; R292-D304 IonicContact NH2-OD2 2.77Å; R292-D304 PolarHBondContact NH2-OD2 2.93Å; F300-D304 HydrophobicContact CD1-CB 4.16Å; N301-D304 PolarHBondContact O-N 3.44Å; N301-D304 VanDerWaalsContact OD1-CB 3.26Å; N301-D304 WeakPolarHBondContact OD1-CB 3.44Å; N301-D304 PolarHBondContact OD1-N 3.14Å; N301-D304 PolarHBondContact OD1-OD1 2.82Å; W302-D304 VanDerWaalsContact C-N 3.28Å; W302-D304 PolarHBondContact O-N 2.95Å; D304-Q306 VanDerWaalsContact C-N 3.26Å; D304-Q306 PolarHBondContact O-N 3.05Å; D304-Q307 WeakPolarHBondContact O-CB 3.42Å; D304-Q307 PolarHBondContact O-N 3.02Å; D304-Q307 VanDerWaalsContact O-N 3.07Å
305	L	98.5	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-38.4	178.4	-70.2	168.7	0	0	0	111.9	F272 L279 F300 N301 W302 Q307 L308 V339	F272-L305 HydrophobicContact CD1-CD1 3.71Å; F272-L305 HydrophobicContact CD2-CD1 4.12Å; F272-L305 HydrophobicContact CE1-CD1 3.66Å; F272-L305 HydrophobicContact CE2-CD1 4.06Å; F272-L305 HydrophobicContact CE2-CD2 4.19Å; F272-L305 HydrophobicContact CG-CD1 3.95Å; F272-L305 HydrophobicContact CZ-CD1 3.84Å; F272-L305 HydrophobicContact CZ-CD2 4.35Å; L279-L305 HydrophobicContact CD1-CD2 3.61Å; L279-L305 HydrophobicContact CD2-CD2 3.87Å; L279-L305 HydrophobicContact CG-CD2 4.39Å; F300-L305 HydrophobicContact CB-CD1 4.42Å; F300-L305 HydrophobicContact CB-CD2 3.86Å; F300-L305 HydrophobicContact CB-CG 3.84Å; F300-L305 HydrophobicContact CG-CD2 4.46Å; N301-L305 WeakPolarHBondContact O-CG 3.31Å; N301-L305 PolarHBondContact O-N 3Å; N301-L305 VanDerWaalsContact O-N 3.08Å; W302-L305 HydrophobicContact CE3-CB 4.03Å; W302-L305 HydrophobicContact CE3-CD1 4.04Å; W302-L305 HydrophobicContact CZ3-CB 4.25Å; W302-L305 PolarHBondContact O-N 2.56Å; L305-Q307 PolarHBondContact O-N 3.25Å; L305-L308 HydrophobicContact CD2-CD1 4.46Å; L305-L308 WeakPolarHBondContact O-CB 3.28Å; L305-L308 PolarHBondContact O-N 3.49Å; L305-L308 VanDerWaalsContact O-N 3.16Å; L305-V339 HydrophobicContact CB-CG1 4.42Å
306	Q	97.7	Very high	97.2	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.369	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.6	178.1	-74.8	-173.7	-45.1	0	0	114.2	W302 D304 L308 R338	W302-Q306 HydrophobicContact CD2-CG 3.98Å; W302-Q306 VanDerWaalsContact CE2-CG 3.5Å; W302-Q306 HydrophobicContact CG-CG 4.39Å; W302-Q306 HydrophobicContact CH2-CG 4.21Å; W302-Q306 HydrophobicContact CZ2-CG 3.64Å; W302-Q306 WeakPolarHBondContact O-CG 3.42Å; W302-Q306 PolarHBondContact O-N 3.21Å; D304-Q306 VanDerWaalsContact C-N 3.26Å; D304-Q306 PolarHBondContact O-N 3.05Å; Q306-L308 VanDerWaalsContact C-N 3.32Å; Q306-R338 PolarHBondContact O-NH1 2.49Å
307	Q	97.8	Very high	97	Very high	101 Å²	101	41.9 Å²	41.9	47%	0.472	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.2	176.2	-68	169	63.6	0	0	112.3	T303 D304 L305	T303-Q307 WeakPolarHBondContact O-CG 3.18Å; T303-Q307 PolarHBondContact O-NE2 2.92Å; D304-Q307 WeakPolarHBondContact O-CB 3.42Å; D304-Q307 PolarHBondContact O-N 3.02Å; D304-Q307 VanDerWaalsContact O-N 3.07Å; L305-Q307 PolarHBondContact O-N 3.25Å
308	L	98.5	Very high	96.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.211	C	C	.	.	S	Bend	trans	-80.9	135.9	-174.4	-60.2	178.2	0	0	0	112.1	L279 T283 N284 V285 V288 F289 L305 Q306 V339	L279-L308 HydrophobicContact CB-CD1 4.44Å; L279-L308 HydrophobicContact CD1-CD1 3.63Å; L279-L308 HydrophobicContact CG-CD1 4.42Å; T283-L308 HydrophobicContact CG2-CB 4.45Å; T283-L308 HydrophobicContact CG2-CD1 4.43Å; N284-L308 WeakPolarHBondContact OD1-CA 3.46Å; V285-L308 HydrophobicContact CB-CD1 4.3Å; V285-L308 HydrophobicContact CB-CD2 4.25Å; V285-L308 HydrophobicContact CG2-CD1 4.48Å; V288-L308 HydrophobicContact CB-CD2 3.82Å; V288-L308 HydrophobicContact CG1-CD2 4.2Å; V288-L308 HydrophobicContact CG2-CD2 4.02Å; F289-L308 HydrophobicContact CD2-CD2 3.96Å; F289-L308 HydrophobicContact CE2-CD2 4.01Å; F289-L308 HydrophobicContact CE2-CG 4.44Å; L305-L308 HydrophobicContact CD2-CD1 4.46Å; L305-L308 WeakPolarHBondContact O-CB 3.28Å; L305-L308 PolarHBondContact O-N 3.49Å; L305-L308 VanDerWaalsContact O-N 3.16Å; Q306-L308 VanDerWaalsContact C-N 3.32Å; L308-V339 HydrophobicContact CB-CG2 4.2Å
309	N	98.5	Very high	96.5	Very high	25 Å²	25	43.7 Å²	43.7	13%	0.134	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-77	129.3	165.5	-171.1	-63.2	0	0	0	108.6	T283 N284 G311 E312 S335	T283-N309 CarbonylContact C-O 3.6Å; T283-N309 WeakPolarHBondContact CA-O 3.48Å; T283-N309 VanDerWaalsContact CB-O 3.31Å; T283-N309 WeakPolarHBondContact CB-O 3.28Å; N284-N309 HydrophobicContact CB-CB 4.43Å; N284-N309 PolarHBondContact N-O 2.73Å; N284-N309 PolarHBondContact OD1-N 2.93Å; N309-G311 PolarHBondContact OD1-N 3.04Å; N309-E312 PolarHBondContact OD1-N 2.8Å; N309-S335 PolarHBondContact ND2-O 2.82Å
310	A	98.1	Very high	96.2	Very high	7 Å²	7	42.2 Å²	42.2	6%	0.058	21%	0.208	C	C	.	.	S	Bend	trans	-116.9	19.6	-179.6	0	0	0	0	0	113.4	P241 T244 T282 T283 W313 Q337 R338 V339	P241-A310 WeakPolarHBondContact CB-O 3.4Å; T244-A310 HydrophobicContact CG2-CB 4.16Å; T282-A310 VanDerWaalsContact O-CA 3.3Å; T282-A310 WeakPolarHBondContact O-CA 3.25Å; T283-A310 HydrophobicContact CG2-CB 4.38Å; A310-W313 PolarHBondContact O-NE1 3.42Å; A310-Q337 PolarHBondContact N-O 2.81Å; A310-R338 VanDerWaalsContact CB-C 3.45Å; A310-V339 HydrophobicContact CB-CG2 4.44Å
311	G	97.4	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-137.5	-23.1	-175.1	0	0	0	0	0	116.9	N309 W313 F314 T334	N309-G311 PolarHBondContact OD1-N 3.04Å; G311-W313 VanDerWaalsContact C-N 3.29Å; G311-W313 PolarHBondContact O-N 3.06Å; G311-F314 WeakPolarHBondContact O-CB 3.29Å; G311-F314 PolarHBondContact O-N 3.41Å; G311-T334 VanDerWaalsContact CA-O 3.29Å; G311-T334 WeakPolarHBondContact CA-O 3.36Å
312	E	96.6	Very high	95.5	Very high	99 Å²	99	48.4 Å²	48.4	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-34.5	177	-77	177.9	176.7	0	0	112.8	N309 F314 L315 K316	N309-E312 PolarHBondContact OD1-N 2.8Å; E312-F314 PolarHBondContact O-N 2.85Å; E312-L315 PolarHBondContact O-N 3.28Å; E312-L315 VanDerWaalsContact O-N 3.11Å; E312-K316 WeakPolarHBondContact O-CB 3.5Å; E312-K316 PolarHBondContact O-N 3.34Å
313	W	95.4	Very high	95.2	Very high	18 Å²	18	46.8 Å²	46.8	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-54.9	-37.5	175.8	73.1	-90.5	0	0	0	111.8	P241 E242 T282 A310 G311 L315 K316 N317 P319	P241-W313 HydrophobicContact CB-CZ2 3.95Å; E242-W313 HydrophobicContact CG-CH2 4.46Å; E242-W313 HydrophobicContact CG-CZ2 4.16Å; T282-W313 HydrophobicContact CG2-CH2 4.16Å; T282-W313 HydrophobicContact CG2-CZ2 3.81Å; T282-W313 PolarHBondContact O-NE1 3.22Å; A310-W313 PolarHBondContact O-NE1 3.42Å; G311-W313 VanDerWaalsContact C-N 3.29Å; G311-W313 PolarHBondContact O-N 3.06Å; W313-L315 VanDerWaalsContact C-N 3.34Å; W313-L315 PolarHBondContact O-N 3.24Å; W313-K316 PolarHBondContact O-N 2.64Å; W313-N317 VanDerWaalsContact O-CB 3.28Å; W313-N317 WeakPolarHBondContact O-CB 3.42Å; W313-N317 PolarHBondContact O-N 2.95Å; W313-P319 HydrophobicContact CH2-CG 4.45Å; W313-P319 HydrophobicContact CZ3-CG 3.89Å
314	F	95.9	Very high	94.9	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-40.3	-178.6	-176.2	-93.9	0	0	0	111.3	P237 P241 G311 E312 D318 P319 F320 M326 T334	P237-F314 WeakPolarHBondContact O-CE2 3.36Å; P241-F314 HydrophobicContact CB-CB 4.07Å; P241-F314 HydrophobicContact CB-CG 4.39Å; P241-F314 HydrophobicContact CG-CB 3.83Å; P241-F314 HydrophobicContact CG-CG 4.1Å; G311-F314 WeakPolarHBondContact O-CB 3.29Å; G311-F314 PolarHBondContact O-N 3.41Å; E312-F314 PolarHBondContact O-N 2.85Å; F314-D318 VanDerWaalsContact O-CA 3.29Å; F314-D318 WeakPolarHBondContact O-CA 3.04Å; F314-D318 PolarHBondContact O-N 3.35Å; F314-P319 HydrophobicContact CD2-CG 4.04Å; F314-P319 HydrophobicContact CE2-CG 4.07Å; F314-F320 HydrophobicContact CE2-CD2 4.01Å; F314-F320 HydrophobicContact CE2-CE2 4.42Å; F314-M326 HydrophobicContact CE1-SD 4Å; F314-T334 HydrophobicContact CB-CG2 4.31Å; F314-T334 HydrophobicContact CD1-CG2 3.96Å; F314-T334 HydrophobicContact CG-CG2 4.49Å
315	L	95.7	Very high	94.6	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	26%	0.255	C	S	.	.	H	α-helix	trans	-76.2	-32	178.2	-60.3	176.5	0	0	0	112.4	E312 W313 A323 M326 R331 T334	E312-L315 PolarHBondContact O-N 3.28Å; E312-L315 VanDerWaalsContact O-N 3.11Å; W313-L315 VanDerWaalsContact C-N 3.34Å; W313-L315 PolarHBondContact O-N 3.24Å; L315-A323 HydrophobicContact CD2-CB 4.36Å; L315-M326 HydrophobicContact CD2-CE 4.2Å; L315-M326 HydrophobicContact CD2-SD 3.76Å; L315-R331 HydrophobicContact CD1-CB 4.37Å; L315-R331 HydrophobicContact CD2-CG 4.23Å; L315-T334 HydrophobicContact CD1-CG2 4.08Å; L315-T334 HydrophobicContact CD2-CG2 3.82Å; L315-T334 HydrophobicContact CG-CG2 3.71Å
316	K	93.3	Very high	94.4	Very high	170 Å²	170	51.3 Å²	51.3	74%	0.739	26%	0.259	S	S	*	.	H	α-helix	trans	-77.2	-47.2	-178.4	-178	-177.8	177.6	-177.7	0	112.1	E312 W313	E312-K316 WeakPolarHBondContact O-CB 3.5Å; E312-K316 PolarHBondContact O-N 3.34Å; W313-K316 PolarHBondContact O-N 2.64Å
317	N	91.4	Very high	94.3	Very high	60 Å²	60	50.1 Å²	50.1	32%	0.321	26%	0.26	S	S	.	.	H	α-helix	trans	-87.6	-23.6	-175.2	-61.6	-9.3	0	0	0	111.9	W313	W313-N317 VanDerWaalsContact O-CB 3.28Å; W313-N317 WeakPolarHBondContact O-CB 3.42Å; W313-N317 PolarHBondContact O-N 2.95Å
318	D	91.8	Very high	94.3	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.193	27%	0.265	C	S	.	.			trans	43.2	57.9	-179.9	-163	10.9	0	0	0	113.2	F314 F320 W321 T322 A323	F314-D318 VanDerWaalsContact O-CA 3.29Å; F314-D318 WeakPolarHBondContact O-CA 3.04Å; F314-D318 PolarHBondContact O-N 3.35Å; D318-F320 PolarHBondContact O-N 2.8Å; D318-W321 VanDerWaalsContact CG-CA 3.43Å; D318-W321 PolarHBondContact O-N 3.14Å; D318-W321 VanDerWaalsContact OD1-C 3.31Å; D318-W321 WeakPolarHBondContact OD1-CA 3.16Å; D318-W321 PolarHBondContact OD1-N 3.39Å; D318-W321 WeakPolarHBondContact OD2-CA 3.47Å; D318-T322 PolarHBondContact OD1-N 3.02Å; D318-A323 HydrophobicContact CB-CB 4.01Å; D318-A323 VanDerWaalsContact OD1-CB 3.3Å; D318-A323 WeakPolarHBondContact OD1-CB 3.49Å; D318-A323 PolarHBondContact OD1-N 2.64Å; D318-A323 WeakPolarHBondContact OD2-CB 3.3Å; D318-A323 PolarHBondContact OD2-N 3.01Å
319	P	90.6	Very high	94.2	Very high	12 Å²	12	58.8 Å²	58.8	8%	0.078	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.5	-168.5	26	-36.8	0	0	0	114.6	W83 W313 F314	W83-P319 HydrophobicContact CH2-CB 4.43Å; W83-P319 HydrophobicContact CZ2-CB 3.45Å; W83-P319 VanDerWaalsContact CZ2-CB 3.45Å; W313-P319 HydrophobicContact CH2-CG 4.45Å; W313-P319 HydrophobicContact CZ3-CG 3.89Å; F314-P319 HydrophobicContact CD2-CG 4.04Å; F314-P319 HydrophobicContact CE2-CG 4.07Å
320	F	91.3	Very high	94	Very high	39 Å²	39	59.8 Å²	59.8	17%	0.171	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	9.4	-178.8	-58.2	-80.4	0	0	0	113.2	N70 P237 M238 F314 D318 T322	N70-F320 HydrophobicContact CB-CE1 3.84Å; N70-F320 HydrophobicContact CB-CZ 4.21Å; P237-F320 HydrophobicContact CB-CE2 3.92Å; P237-F320 HydrophobicContact CB-CZ 3.92Å; P237-F320 WeakPolarHBondContact O-CD2 3.32Å; P237-F320 WeakPolarHBondContact O-CE2 3.45Å; M238-F320 HydrophobicContact CB-CD1 4.43Å; M238-F320 HydrophobicContact CB-CG 4.37Å; M238-F320 HydrophobicContact CG-CD1 3.79Å; M238-F320 HydrophobicContact CG-CE1 3.92Å; M238-F320 HydrophobicContact CG-CG 4.23Å; M238-F320 HydrophobicContact CG-CZ 4.49Å; F314-F320 HydrophobicContact CE2-CD2 4.01Å; F314-F320 HydrophobicContact CE2-CE2 4.42Å; D318-F320 PolarHBondContact O-N 2.8Å; F320-T322 HydrophobicContact CB-CG2 4.02Å; F320-T322 WeakPolarHBondContact O-CG2 3.18Å; F320-T322 PolarHBondContact O-N 2.7Å; F320-T322 VanDerWaalsContact O-N 3.1Å
321	W	90.8	Very high	94	Very high	161 Å²	161	63 Å²	63	61%	0.61	31%	0.312	S	S	*	.	S	Bend	trans	55.2	26.7	-176.5	-53.5	-6.7	0	0	0	114.3	D85 V88 D318	D85-W321 VanDerWaalsContact OD2-CZ2 3.25Å; D85-W321 WeakPolarHBondContact OD2-CZ2 3.42Å; D85-W321 PolarHBondContact OD2-NE1 3.24Å; V88-W321 HydrophobicContact CG2-CH2 3.7Å; V88-W321 HydrophobicContact CG2-CZ2 3.3Å; D318-W321 VanDerWaalsContact CG-CA 3.43Å; D318-W321 PolarHBondContact O-N 3.14Å; D318-W321 VanDerWaalsContact OD1-C 3.31Å; D318-W321 WeakPolarHBondContact OD1-CA 3.16Å; D318-W321 PolarHBondContact OD1-N 3.39Å; D318-W321 WeakPolarHBondContact OD2-CA 3.47Å
322	T	91.9	Very high	94	Very high	19 Å²	19	66.6 Å²	66.6	12%	0.117	33%	0.331	C	S	.	.			trans	-96.5	-16.8	-177.6	59.3	0	0	0	0	112.3	M238 L239 D318 F320 S324 S325 M326	M238-T322 WeakPolarHBondContact O-CB 3.31Å; M238-T322 WeakPolarHBondContact O-CG2 3.19Å; M238-T322 PolarHBondContact O-OG1 2.95Å; L239-T322 HydrophobicContact CD2-CG2 4.26Å; D318-T322 PolarHBondContact OD1-N 3.02Å; F320-T322 HydrophobicContact CB-CG2 4.02Å; F320-T322 WeakPolarHBondContact O-CG2 3.18Å; F320-T322 PolarHBondContact O-N 2.7Å; F320-T322 VanDerWaalsContact O-N 3.1Å; T322-S324 PolarHBondContact O-N 2.67Å; T322-S325 PolarHBondContact O-N 2.63Å; T322-S325 PolarHBondContact O-OG 2.97Å; T322-M326 PolarHBondContact O-N 3.11Å
323	A	91.8	Very high	94	Very high	4 Å²	4	64.9 Å²	64.9	3%	0.033	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-56.7	-40.3	-176.3	0	0	0	0	0	111.6	L315 D318 S325 M326 R331	L315-A323 HydrophobicContact CD2-CB 4.36Å; D318-A323 HydrophobicContact CB-CB 4.01Å; D318-A323 VanDerWaalsContact OD1-CB 3.3Å; D318-A323 WeakPolarHBondContact OD1-CB 3.49Å; D318-A323 PolarHBondContact OD1-N 2.64Å; D318-A323 WeakPolarHBondContact OD2-CB 3.3Å; D318-A323 PolarHBondContact OD2-N 3.01Å; A323-S325 VanDerWaalsContact C-N 3.26Å; A323-S325 PolarHBondContact O-N 3.3Å; A323-M326 WeakPolarHBondContact O-CB 3.38Å; A323-M326 PolarHBondContact O-N 3.42Å; A323-R331 PolarHBondContact O-NH1 3.42Å; A323-R331 PolarHBondContact O-NH2 2.96Å
324	S	91.4	Very high	94.1	Very high	92 Å²	92	64 Å²	64	64%	0.643	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-56.3	-35.9	177.2	68.1	0	0	0	0	113.7	T322 R331	T322-S324 PolarHBondContact O-N 2.67Å; S324-R331 PolarHBondContact O-NH2 3.08Å
325	S	92.4	Very high	94.1	Very high	93 Å²	93	65.4 Å²	65.4	65%	0.65	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-81.8	-11	-177.9	73.5	0	0	0	0	114.4	T322 A323	T322-S325 PolarHBondContact O-N 2.63Å; T322-S325 PolarHBondContact O-OG 2.97Å; A323-S325 VanDerWaalsContact C-N 3.26Å; A323-S325 PolarHBondContact O-N 3.3Å
326	M	94.8	Very high	94.2	Very high	17 Å²	17	70.6 Å²	70.6	8%	0.084	35%	0.352	C	S	.	.			trans	-75.5	136.8	-176.9	-62.1	175.3	72.9	0	0	112.3	F314 L315 T322 A323 E330 R331 T334	F314-M326 HydrophobicContact CE1-SD 4Å; L315-M326 HydrophobicContact CD2-CE 4.2Å; L315-M326 HydrophobicContact CD2-SD 3.76Å; T322-M326 PolarHBondContact O-N 3.11Å; A323-M326 WeakPolarHBondContact O-CB 3.38Å; A323-M326 PolarHBondContact O-N 3.42Å; M326-E330 HydrophobicContact CB-CB 4.28Å; M326-E330 HydrophobicContact CE-CB 3.85Å; M326-R331 HydrophobicContact CB-CG 3.85Å; M326-R331 PolarHBondContact O-NE 3.26Å; M326-R331 VanDerWaalsContact O-NE 3.08Å; M326-T334 HydrophobicContact CE-CG2 4.41Å; M326-T334 VanDerWaalsContact CE-OG1 3.25Å; M326-T334 WeakPolarHBondContact CE-OG1 3.16Å
327	S	96.1	Very high	94.4	Very high	55 Å²	55	63.9 Å²	63.9	39%	0.385	32%	0.323	S	S	.	.			trans	-64.8	157.7	171	68.1	0	0	0	0	111.8	K329 E330 R331	S327-K329 PolarHBondContact O-N 3.27Å; S327-E330 VanDerWaalsContact CB-OE2 3.31Å; S327-E330 WeakPolarHBondContact CB-OE2 3.47Å; S327-E330 PolarHBondContact N-OE2 3.42Å; S327-E330 PolarHBondContact O-N 3.24Å; S327-E330 VanDerWaalsContact OG-CD 3.31Å; S327-E330 VanDerWaalsContact OG-CG 3.24Å; S327-E330 WeakPolarHBondContact OG-CG 3.47Å; S327-E330 PolarHBondContact OG-N 2.97Å; S327-E330 PolarHBondContact OG-OE2 3.19Å; S327-R331 WeakPolarHBondContact O-CG 3.35Å; S327-R331 PolarHBondContact O-N 3.13Å
328	Q	96.4	Very high	94.7	Very high	126 Å²	126	68.5 Å²	68.5	59%	0.589	34%	0.336	S	S	*	.	H	α-helix	trans	-58.2	-35	178	-170.6	60.5	46.9	0	0	112.5	N332	Q328-N332 PolarHBondContact NE2-OD1 2.9Å; Q328-N332 WeakPolarHBondContact O-CB 3.42Å; Q328-N332 PolarHBondContact O-N 2.91Å; Q328-N332 PolarHBondContact O-ND2 2.86Å; Q328-N332 PolarHBondContact O-OD1 2.88Å
329	K	96.2	Very high	95	Very high	157 Å²	157	67.1 Å²	67.1	68%	0.683	33%	0.329	S	S	*	.	H	α-helix	trans	-63.8	-46	175.8	-177.2	-178.9	175.8	-176.5	0	111.2	S327 N332 L333	S327-K329 PolarHBondContact O-N 3.27Å; K329-N332 PolarHBondContact O-N 3.15Å; K329-L333 HydrophobicContact CG-CD1 4.34Å; K329-L333 WeakPolarHBondContact O-CG 3.24Å; K329-L333 PolarHBondContact O-N 3.39Å
330	E	95.9	Very high	95.4	Very high	46 Å²	46	66.6 Å²	66.6	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-44.1	178	-69.5	165.7	128.6	0	0	111	W246 R250 M326 S327 N332 L333 T334	W246-E330 HydrophobicContact CZ2-CB 4.48Å; W246-E330 HydrophobicContact CZ2-CG 4.13Å; R250-E330 IonicContact CZ-OE1 3.53Å; R250-E330 IonicContact NH2-OE1 3.97Å; M326-E330 HydrophobicContact CB-CB 4.28Å; M326-E330 HydrophobicContact CE-CB 3.85Å; S327-E330 VanDerWaalsContact CB-OE2 3.31Å; S327-E330 WeakPolarHBondContact CB-OE2 3.47Å; S327-E330 PolarHBondContact N-OE2 3.42Å; S327-E330 PolarHBondContact O-N 3.24Å; S327-E330 VanDerWaalsContact OG-CD 3.31Å; S327-E330 VanDerWaalsContact OG-CG 3.24Å; S327-E330 WeakPolarHBondContact OG-CG 3.47Å; S327-E330 PolarHBondContact OG-N 2.97Å; S327-E330 PolarHBondContact OG-OE2 3.19Å; E330-N332 VanDerWaalsContact C-N 3.31Å; E330-N332 PolarHBondContact O-N 3.12Å; E330-L333 PolarHBondContact O-N 3.16Å; E330-L333 VanDerWaalsContact O-N 3.12Å; E330-T334 WeakPolarHBondContact O-CB 3.42Å; E330-T334 PolarHBondContact O-N 2.86Å; E330-T334 PolarHBondContact O-OG1 3.39Å
331	R	96.9	Very high	95.7	Very high	76 Å²	76	65 Å²	65	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-57	-44.6	175	-67.6	176.6	-173.6	-108.4	14.3	111.9	L315 A323 S324 M326 S327 L333 T334 S335	L315-R331 HydrophobicContact CD1-CB 4.37Å; L315-R331 HydrophobicContact CD2-CG 4.23Å; A323-R331 PolarHBondContact O-NH1 3.42Å; A323-R331 PolarHBondContact O-NH2 2.96Å; S324-R331 PolarHBondContact O-NH2 3.08Å; M326-R331 HydrophobicContact CB-CG 3.85Å; M326-R331 PolarHBondContact O-NE 3.26Å; M326-R331 VanDerWaalsContact O-NE 3.08Å; S327-R331 WeakPolarHBondContact O-CG 3.35Å; S327-R331 PolarHBondContact O-N 3.13Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-L333 PolarHBondContact O-N 2.87Å; R331-T334 PolarHBondContact O-N 3.3Å; R331-S335 WeakPolarHBondContact O-CB 3.38Å; R331-S335 PolarHBondContact O-N 3.01Å; R331-S335 PolarHBondContact O-OG 3.49Å
332	N	96.6	Very high	96.1	Very high	75 Å²	75	57.3 Å²	57.3	40%	0.401	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-31.6	177.9	-70.4	-7.6	0	0	0	113.3	Q328 K329 E330 S335 K336	Q328-N332 PolarHBondContact NE2-OD1 2.9Å; Q328-N332 WeakPolarHBondContact O-CB 3.42Å; Q328-N332 PolarHBondContact O-N 2.91Å; Q328-N332 PolarHBondContact O-ND2 2.86Å; Q328-N332 PolarHBondContact O-OD1 2.88Å; K329-N332 PolarHBondContact O-N 3.15Å; E330-N332 VanDerWaalsContact C-N 3.31Å; E330-N332 PolarHBondContact O-N 3.12Å; N332-S335 PolarHBondContact O-OG 2.96Å; N332-K336 WeakPolarHBondContact O-CD 3.17Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.2Å
333	L	96.9	Very high	96.4	Very high	63 Å²	63	62.5 Å²	62.5	33%	0.33	31%	0.313	S	S	.	.	H	α-helix	trans	-74.8	-43.3	175	-73.4	169.9	0	0	0	110.8	W246 K329 E330 R331 K336 Q337	W246-L333 HydrophobicContact CD2-CB 4.32Å; W246-L333 HydrophobicContact CE3-CD1 4.34Å; W246-L333 HydrophobicContact CH2-CD1 3.75Å; W246-L333 HydrophobicContact CZ2-CD1 4.12Å; W246-L333 HydrophobicContact CZ3-CD1 3.87Å; K329-L333 HydrophobicContact CG-CD1 4.34Å; K329-L333 WeakPolarHBondContact O-CG 3.24Å; K329-L333 PolarHBondContact O-N 3.39Å; E330-L333 PolarHBondContact O-N 3.16Å; E330-L333 VanDerWaalsContact O-N 3.12Å; R331-L333 VanDerWaalsContact C-N 3.33Å; R331-L333 PolarHBondContact O-N 2.87Å; L333-K336 PolarHBondContact O-N 3.43Å; L333-Q337 PolarHBondContact O-NE2 3.05Å
334	T	97.3	Very high	96.7	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-48.8	176.7	-70.8	0	0	0	0	111.5	P241 W246 G311 F314 L315 M326 E330 R331 K336 Q337	P241-T334 HydrophobicContact CG-CG2 3.69Å; W246-T334 PolarHBondContact NE1-OG1 3.47Å; W246-T334 VanDerWaalsContact NE1-OG1 3.15Å; G311-T334 VanDerWaalsContact CA-O 3.29Å; G311-T334 WeakPolarHBondContact CA-O 3.36Å; F314-T334 HydrophobicContact CB-CG2 4.31Å; F314-T334 HydrophobicContact CD1-CG2 3.96Å; F314-T334 HydrophobicContact CG-CG2 4.49Å; L315-T334 HydrophobicContact CD1-CG2 4.08Å; L315-T334 HydrophobicContact CD2-CG2 3.82Å; L315-T334 HydrophobicContact CG-CG2 3.71Å; M326-T334 HydrophobicContact CE-CG2 4.41Å; M326-T334 VanDerWaalsContact CE-OG1 3.25Å; M326-T334 WeakPolarHBondContact CE-OG1 3.16Å; E330-T334 WeakPolarHBondContact O-CB 3.42Å; E330-T334 PolarHBondContact O-N 2.86Å; E330-T334 PolarHBondContact O-OG1 3.39Å; R331-T334 PolarHBondContact O-N 3.3Å; T334-K336 PolarHBondContact O-N 2.84Å; T334-Q337 WeakPolarHBondContact O-CG 3.46Å; T334-Q337 PolarHBondContact O-N 3.03Å
335	S	97	Very high	97	Very high	29 Å²	29	61.6 Å²	61.6	20%	0.203	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.3	-178.2	74.2	0	0	0	0	114	N309 R331 N332	N309-S335 PolarHBondContact ND2-O 2.82Å; R331-S335 WeakPolarHBondContact O-CB 3.38Å; R331-S335 PolarHBondContact O-N 3.01Å; R331-S335 PolarHBondContact O-OG 3.49Å; N332-S335 PolarHBondContact O-OG 2.96Å
336	K	96.8	Very high	97.3	Very high	153 Å²	153	57.2 Å²	57.2	67%	0.665	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	2.9	-178.8	-68.5	178.1	-174.3	-176.8	0	113.6	N332 L333 T334	N332-K336 WeakPolarHBondContact O-CD 3.17Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.2Å; L333-K336 PolarHBondContact O-N 3.43Å; T334-K336 PolarHBondContact O-N 2.84Å
337	Q	97.9	Very high	97.5	Very high	28 Å²	28	62.8 Å²	62.8	13%	0.131	29%	0.291	C	S	.	.			trans	-66.6	148.8	179.5	-64.6	-51.6	-69.5	0	0	111.7	P241 T244 W246 A310 L333 T334	P241-Q337 HydrophobicContact CG-CG 4.39Å; T244-Q337 HydrophobicContact CG2-CB 3.86Å; T244-Q337 HydrophobicContact CG2-CG 4.26Å; W246-Q337 HydrophobicContact CB-CG 3.79Å; W246-Q337 VanDerWaalsContact CB-OE1 3.24Å; A310-Q337 PolarHBondContact N-O 2.81Å; L333-Q337 PolarHBondContact O-NE2 3.05Å; T334-Q337 WeakPolarHBondContact O-CG 3.46Å; T334-Q337 PolarHBondContact O-N 3.03Å
338	R	97.8	Very high	97.5	Very high	157 Å²	157	61.6 Å²	61.6	59%	0.592	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-126.1	168.4	176.3	-64.9	-172.5	177.3	-151	3.8	109.4	Q306 A310 C340	Q306-R338 PolarHBondContact O-NH1 2.49Å; A310-R338 VanDerWaalsContact CB-C 3.45Å; R338-C340 PolarHBondContact O-N 2.83Å
339	V	98.3	Very high	97.6	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.042	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-55.3	125.9	170.2	-179.1	0	0	0	0	109	F272 T283 W302 L305 L308 A310	F272-V339 HydrophobicContact CB-CG1 4.35Å; F272-V339 HydrophobicContact CD2-CG1 3.67Å; F272-V339 HydrophobicContact CE2-CG1 4.43Å; F272-V339 HydrophobicContact CG-CG1 4.37Å; T283-V339 HydrophobicContact CG2-CG2 4.14Å; W302-V339 HydrophobicContact CZ3-CG1 4.24Å; L305-V339 HydrophobicContact CB-CG1 4.42Å; L308-V339 HydrophobicContact CB-CG2 4.2Å; A310-V339 HydrophobicContact CB-CG2 4.44Å
340	C	98.3	Very high	97.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-88.7	134.6	-177	-172.9	0	0	0	0	110.2	N243 L273 R338	N243-C340 VanDerWaalsContact O-CB 3.27Å; N243-C340 WeakPolarHBondContact O-CB 3.27Å; L273-C340 HydrophobicContact CB-CB 4.31Å; L273-C340 HydrophobicContact CD1-CB 3.88Å; L273-C340 HydrophobicContact CG-CB 4.18Å; L273-C340 PolarHBondContact N-O 2.95Å; R338-C340 PolarHBondContact O-N 2.83Å
341	S	98.5	Very high	97.7	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.035	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-78	159.1	167.9	71.5	0	0	0	0	110.6	E343 Q344 L345	S341-E343 VanDerWaalsContact C-N 3.29Å; S341-E343 PolarHBondContact O-N 3.17Å; S341-Q344 PolarHBondContact O-N 2.85Å; S341-Q344 WeakPolarHBondContact OG-CB 3.27Å; S341-Q344 VanDerWaalsContact OG-CG 3.27Å; S341-Q344 WeakPolarHBondContact OG-CG 3.5Å; S341-Q344 PolarHBondContact OG-N 3.12Å; S341-Q344 VanDerWaalsContact OG-N 3.09Å; S341-L345 PolarHBondContact O-N 3.37Å
342	L	98.6	Very high	97.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-40.8	170.8	178	59.4	0	0	0	111.1	V263 P271 L273 Q344 L345 L346 T377 V380 V381	V263-L342 HydrophobicContact CG1-CD2 4.13Å; V263-L342 HydrophobicContact CG2-CD1 3.92Å; V263-L342 HydrophobicContact CG2-CD2 4.37Å; P271-L342 HydrophobicContact CB-CB 3.92Å; P271-L342 HydrophobicContact CB-CD2 3.99Å; P271-L342 PolarHBondContact O-N 3.22Å; L273-L342 HydrophobicContact CD2-CB 4.42Å; L273-L342 HydrophobicContact CD2-CD1 4.22Å; L342-Q344 VanDerWaalsContact C-N 3.28Å; L342-Q344 PolarHBondContact O-N 3.22Å; L342-L345 PolarHBondContact O-N 3.31Å; L342-L346 HydrophobicContact CD1-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CD2 4.38Å; L342-L346 HydrophobicContact CD1-CG 3.93Å; L342-L346 HydrophobicContact CD2-CD1 4.25Å; L342-L346 HydrophobicContact CG-CD1 3.67Å; L342-L346 HydrophobicContact CG-CG 4.08Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.33Å; L342-L346 PolarHBondContact O-N 3.4Å; L342-T377 HydrophobicContact CD2-CG2 3.62Å; L342-V380 HydrophobicContact CB-CG1 4.37Å; L342-V380 HydrophobicContact CD2-CG1 4.26Å; L342-V380 HydrophobicContact CG-CG1 4.26Å; L342-V381 HydrophobicContact CD2-CG2 4.08Å
343	E	98.3	Very high	97.7	Very high	128 Å²	128	56.8 Å²	56.8	60%	0.598	27%	0.272	S	S	*	.	H	α-helix	trans	-55.6	-42.9	177.2	-175.5	-172.4	-165.8	0	0	112	S341 L346 K347 V380	S341-E343 VanDerWaalsContact C-N 3.29Å; S341-E343 PolarHBondContact O-N 3.17Å; E343-L346 PolarHBondContact O-N 2.82Å; E343-K347 WeakPolarHBondContact O-CB 3.29Å; E343-K347 PolarHBondContact O-N 3.38Å; E343-V380 HydrophobicContact CB-CG1 4.05Å
344	Q	98.3	Very high	97.8	Very high	77 Å²	77	54.5 Å²	54.5	36%	0.36	26%	0.26	S	S	.	.	H	α-helix	trans	-62.1	-44.4	178.4	-79.8	174.9	-33.6	0	0	112.3	L245 S341 L342 M348	L245-Q344 HydrophobicContact CD1-CB 4.31Å; L245-Q344 HydrophobicContact CD1-CG 4.5Å; L245-Q344 HydrophobicContact CD2-CB 4.03Å; L245-Q344 HydrophobicContact CG-CB 4.43Å; S341-Q344 PolarHBondContact O-N 2.85Å; S341-Q344 WeakPolarHBondContact OG-CB 3.27Å; S341-Q344 VanDerWaalsContact OG-CG 3.27Å; S341-Q344 WeakPolarHBondContact OG-CG 3.5Å; S341-Q344 PolarHBondContact OG-N 3.12Å; S341-Q344 VanDerWaalsContact OG-N 3.09Å; L342-Q344 VanDerWaalsContact C-N 3.28Å; L342-Q344 PolarHBondContact O-N 3.22Å; Q344-M348 PolarHBondContact O-N 2.97Å; Q344-M348 VanDerWaalsContact O-N 3.16Å
345	L	98.4	Very high	97.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-47.2	174.6	167.7	63.7	0	0	0	111.4	F248 L259 A261 L273 S341 L342 K347 M348 A349 V356	F248-L345 HydrophobicContact CB-CD1 4.28Å; F248-L345 HydrophobicContact CD1-CD1 3.81Å; F248-L345 HydrophobicContact CD2-CD1 3.78Å; F248-L345 HydrophobicContact CE1-CD1 4.05Å; F248-L345 HydrophobicContact CE1-CD2 4.43Å; F248-L345 HydrophobicContact CE2-CD1 4.05Å; F248-L345 HydrophobicContact CE2-CD2 4.38Å; F248-L345 HydrophobicContact CG-CD1 3.68Å; F248-L345 HydrophobicContact CZ-CD1 4.18Å; F248-L345 HydrophobicContact CZ-CD2 4.13Å; L259-L345 HydrophobicContact CB-CD1 4.32Å; L259-L345 HydrophobicContact CD1-CD1 3.71Å; A261-L345 HydrophobicContact CB-CD2 3.47Å; A261-L345 VanDerWaalsContact CB-CD2 3.47Å; L273-L345 HydrophobicContact CD1-CB 3.94Å; L273-L345 HydrophobicContact CD1-CD2 3.82Å; L273-L345 HydrophobicContact CD1-CG 4.46Å; L273-L345 HydrophobicContact CD2-CD2 4.28Å; S341-L345 PolarHBondContact O-N 3.37Å; L342-L345 PolarHBondContact O-N 3.31Å; L345-K347 VanDerWaalsContact C-N 3.33Å; L345-K347 PolarHBondContact O-N 2.89Å; L345-M348 WeakPolarHBondContact O-CB 3.48Å; L345-M348 PolarHBondContact O-N 2.96Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 3.02Å; L345-V356 HydrophobicContact CD2-CG1 4.03Å; L345-V356 HydrophobicContact CG-CG1 4.47Å
346	L	98.5	Very high	97.9	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-36.5	-177.5	-67.1	168.7	0	0	0	112.4	L342 E343 A349 S350 V356 V380 V381 S384 L386	L342-L346 HydrophobicContact CD1-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CD2 4.38Å; L342-L346 HydrophobicContact CD1-CG 3.93Å; L342-L346 HydrophobicContact CD2-CD1 4.25Å; L342-L346 HydrophobicContact CG-CD1 3.67Å; L342-L346 HydrophobicContact CG-CG 4.08Å; L342-L346 VanDerWaalsContact O-CG 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.33Å; L342-L346 PolarHBondContact O-N 3.4Å; E343-L346 PolarHBondContact O-N 2.82Å; L346-A349 PolarHBondContact O-N 2.82Å; L346-S350 WeakPolarHBondContact O-CB 3.02Å; L346-S350 PolarHBondContact O-N 3.4Å; L346-V356 HydrophobicContact CD2-CB 4.45Å; L346-V356 HydrophobicContact CD2-CG1 4.32Å; L346-V356 HydrophobicContact CD2-CG2 4.39Å; L346-V380 HydrophobicContact CD1-CG1 4.17Å; L346-V381 HydrophobicContact CD1-CB 4.24Å; L346-V381 HydrophobicContact CD1-CG2 3.92Å; L346-S384 VanDerWaalsContact CB-CB 3.48Å; L346-L386 HydrophobicContact CD2-CD2 3.78Å
347	K	97.9	Very high	98	Very high	134 Å²	134	47 Å²	47	58%	0.583	23%	0.226	S	C	*	.	H	α-helix	trans	-61.4	-49	172.9	-178.5	172.9	-177.8	171.3	0	111	E343 L345 A349 S350 D351	E343-K347 WeakPolarHBondContact O-CB 3.29Å; E343-K347 PolarHBondContact O-N 3.38Å; L345-K347 VanDerWaalsContact C-N 3.33Å; L345-K347 PolarHBondContact O-N 2.89Å; K347-A349 PolarHBondContact O-N 2.84Å; K347-S350 WeakPolarHBondContact O-CB 3.25Å; K347-S350 PolarHBondContact O-N 2.91Å; K347-D351 VanDerWaalsContact O-CG 3.27Å; K347-D351 PolarHBondContact O-N 3.02Å
348	M	97.4	Very high	97.9	Very high	30 Å²	30	45.7 Å²	45.7	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-42.2	173.6	178	-177.8	-74.4	0	0	111	L245 F248 Q249 L252 Q344 L345 S350 D351 H352	L245-M348 HydrophobicContact CB-CE 4.37Å; L245-M348 HydrophobicContact CD2-CE 3.76Å; F248-M348 HydrophobicContact CB-SD 3.74Å; Q249-M348 HydrophobicContact CB-CE 4.19Å; L252-M348 HydrophobicContact CD1-CG 3.81Å; L252-M348 HydrophobicContact CD1-SD 3.83Å; Q344-M348 PolarHBondContact O-N 2.97Å; Q344-M348 VanDerWaalsContact O-N 3.16Å; L345-M348 WeakPolarHBondContact O-CB 3.48Å; L345-M348 PolarHBondContact O-N 2.96Å; M348-S350 VanDerWaalsContact C-N 3.34Å; M348-S350 PolarHBondContact O-N 3.48Å; M348-D351 PolarHBondContact O-N 2.73Å; M348-H352 PolarHBondContact O-CD2 2.74Å; M348-H352 VanDerWaalsContact O-CD2 3.23Å; M348-H352 PolarHBondContact O-N 2.98Å
349	A	98.1	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.8	-36.7	179.8	0	0	0	0	0	112.9	L345 L346 K347 H352 N353 I354 V356 L386	L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 3.02Å; L346-A349 PolarHBondContact O-N 2.82Å; K347-A349 PolarHBondContact O-N 2.84Å; A349-H352 CarbonylContact O-C 3.55Å; A349-H352 PolarHBondContact O-N 3.07Å; A349-N353 WeakPolarHBondContact O-CA 3.44Å; A349-N353 PolarHBondContact O-N 3.45Å; A349-I354 HydrophobicContact CB-CG2 3.68Å; A349-I354 PolarHBondContact O-N 3.23Å; A349-V356 HydrophobicContact CB-CG2 3.25Å; A349-L386 HydrophobicContact CB-CD1 4.25Å; A349-L386 HydrophobicContact CB-CD2 4.23Å
350	S	97.5	Very high	97.6	Very high	42 Å²	42	40.4 Å²	40.4	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-65.4	-47.3	175.5	-171.6	0	0	0	0	111.2	L346 K347 M348 H352 N353 G385	L346-S350 WeakPolarHBondContact O-CB 3.02Å; L346-S350 PolarHBondContact O-N 3.4Å; K347-S350 WeakPolarHBondContact O-CB 3.25Å; K347-S350 PolarHBondContact O-N 2.91Å; M348-S350 VanDerWaalsContact C-N 3.34Å; M348-S350 PolarHBondContact O-N 3.48Å; S350-H352 PolarHBondContact O-N 2.83Å; S350-H352 VanDerWaalsContact O-N 3.16Å; S350-N353 PolarHBondContact O-N 2.95Å; S350-N353 VanDerWaalsContact O-N 3.12Å; S350-G385 PolarHBondContact OG-O 3.48Å
351	D	96.7	Very high	97.3	Very high	118 Å²	118	43 Å²	43	63%	0.631	21%	0.21	S	C	*	.	H	α-helix	trans	-59.3	-29.2	177.9	-68.7	-20.1	0	0	0	112.5	K347 M348	K347-D351 VanDerWaalsContact O-CG 3.27Å; K347-D351 PolarHBondContact O-N 3.02Å; M348-D351 PolarHBondContact O-N 2.73Å
352	H	97	Very high	97.1	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.537	23%	0.233	S	C	.	.	H	α-helix	trans	-104.3	-1.2	-179.6	-73.3	-80.5	0	0	0	114.4	L252 M348 A349 S350 I354	L252-H352 HydrophobicContact CD1-CB 4.37Å; L252-H352 HydrophobicContact CD2-CB 4.17Å; M348-H352 PolarHBondContact O-CD2 2.74Å; M348-H352 VanDerWaalsContact O-CD2 3.23Å; M348-H352 PolarHBondContact O-N 2.98Å; A349-H352 CarbonylContact O-C 3.55Å; A349-H352 PolarHBondContact O-N 3.07Å; S350-H352 PolarHBondContact O-N 2.83Å; S350-H352 VanDerWaalsContact O-N 3.16Å; H352-I354 VanDerWaalsContact C-N 3.33Å; H352-I354 PolarHBondContact O-N 2.87Å
353	N	97.1	Very high	96.9	Very high	104 Å²	104	49.6 Å²	49.6	56%	0.556	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	49	-176.3	-164.3	46.3	0	0	0	113.3	A349 S350 L390	A349-N353 WeakPolarHBondContact O-CA 3.44Å; A349-N353 PolarHBondContact O-N 3.45Å; S350-N353 PolarHBondContact O-N 2.95Å; S350-N353 VanDerWaalsContact O-N 3.12Å; N353-L390 WeakPolarHBondContact OD1-CD1 3.35Å
354	I	97.9	Very high	96.7	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.077	22%	0.22	C	C	.	.			trans	-112.6	149.7	-175.3	-163.2	170.1	0	0	0	112.4	L252 V256 T257 L259 A349 H352	L252-I354 HydrophobicContact CD2-CB 4.42Å; L252-I354 HydrophobicContact CD2-CD1 3.41Å; L252-I354 VanDerWaalsContact CD2-CD1 3.41Å; L252-I354 HydrophobicContact CD2-CG1 4.49Å; L252-I354 HydrophobicContact CD2-CG2 4.19Å; V256-I354 HydrophobicContact CG2-CD1 4.02Å; V256-I354 WeakPolarHBondContact O-CD1 3.39Å; T257-I354 WeakPolarHBondContact O-CG1 3.14Å; L259-I354 HydrophobicContact CD1-CG2 4.09Å; L259-I354 HydrophobicContact CD2-CD1 4.38Å; L259-I354 HydrophobicContact CG-CD1 4.21Å; L259-I354 HydrophobicContact CG-CG2 4.35Å; A349-I354 HydrophobicContact CB-CG2 3.68Å; A349-I354 PolarHBondContact O-N 3.23Å; H352-I354 VanDerWaalsContact C-N 3.33Å; H352-I354 PolarHBondContact O-N 2.87Å
355	T	98.3	Very high	96.5	Very high	19 Å²	19	52.7 Å²	52.7	12%	0.117	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.3	176.4	-55.7	0	0	0	0	111.6	F231 G258 L259 L390 M392	F231-T355 HydrophobicContact CE1-CG2 3.89Å; F231-T355 HydrophobicContact CZ-CG2 4.4Å; G258-T355 CarbonylContact C-O 3.59Å; G258-T355 WeakPolarHBondContact CA-O 3.37Å; L259-T355 PolarHBondContact N-O 3.35Å; T355-L390 CarbonylContact C-O 3.42Å; T355-L390 WeakPolarHBondContact CA-O 3.3Å; T355-L390 WeakPolarHBondContact CG2-O 3.34Å; T355-M392 HydrophobicContact CG2-CE 4.28Å; T355-M392 HydrophobicContact CG2-CG 3.92Å; T355-M392 HydrophobicContact CG2-SD 4.16Å
356	V	98.4	Very high	96.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.9	172.8	-177.7	0	0	0	0	109.8	L259 L345 L346 A349 V358 L386 L390 M392	L259-V356 CarbonylContact O-C 3.56Å; L259-V356 WeakPolarHBondContact O-CA 3.32Å; L345-V356 HydrophobicContact CD2-CG1 4.03Å; L345-V356 HydrophobicContact CG-CG1 4.47Å; L346-V356 HydrophobicContact CD2-CB 4.45Å; L346-V356 HydrophobicContact CD2-CG1 4.32Å; L346-V356 HydrophobicContact CD2-CG2 4.39Å; A349-V356 HydrophobicContact CB-CG2 3.25Å; V356-V358 HydrophobicContact CG1-CG2 3.96Å; V356-L386 HydrophobicContact CB-CD2 4.33Å; V356-L386 HydrophobicContact CG2-CD2 3.91Å; V356-L390 PolarHBondContact N-O 3.34Å; V356-M392 PolarHBondContact O-N 3.05Å
357	V	98.3	Very high	96.3	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.6	171.2	-169.9	0	0	0	0	108.3	F231 L259 E260 A261 M392 T394 L431	F231-V357 HydrophobicContact CD1-CG2 3.55Å; F231-V357 HydrophobicContact CE1-CG2 3.64Å; L259-V357 PolarHBondContact O-N 3.28Å; E260-V357 HydrophobicContact CB-CB 4.12Å; E260-V357 HydrophobicContact CG-CB 4.19Å; E260-V357 HydrophobicContact CG-CG1 4.36Å; A261-V357 PolarHBondContact N-O 2.76Å; V357-M392 HydrophobicContact CB-CB 4.27Å; V357-M392 HydrophobicContact CG1-CB 4.18Å; V357-M392 HydrophobicContact CG2-CB 4.02Å; V357-M392 HydrophobicContact CG2-CG 4.4Å; V357-M392 HydrophobicContact CG2-SD 3.78Å; V357-T394 HydrophobicContact CG1-CG2 3.66Å; V357-L431 HydrophobicContact CG1-CD2 3.95Å
358	V	96.5	Very high	96.3	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	103.1	-174.9	-168.7	0	0	0	0	108.6	V263 V356 L360 T377 V391 M392 T394	V263-V358 HydrophobicContact CB-CG1 4.43Å; V263-V358 HydrophobicContact CG2-CG1 3.61Å; V356-V358 HydrophobicContact CG1-CG2 3.96Å; V358-L360 HydrophobicContact CB-CD1 4.14Å; V358-L360 HydrophobicContact CG1-CD1 3.5Å; V358-L360 VanDerWaalsContact CG1-CD1 3.5Å; V358-L360 HydrophobicContact CG1-CG 4.47Å; V358-T377 HydrophobicContact CG1-CG2 4.45Å; V358-V391 HydrophobicContact CG2-CG1 4.12Å; V358-M392 PolarHBondContact N-O 2.93Å; V358-T394 PolarHBondContact O-OG1 3Å
359	R	95.9	Very high	96.2	Very high	34 Å²	34	57.7 Å²	57.7	13%	0.128	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.9	174.7	-83.4	170.5	39.7	160.9	-2.1	111	E260 A261 D262 V263 T394 L431	E260-R359 WeakPolarHBondContact OE1-CD 3.45Å; E260-R359 IonicContact OE1-CZ 3.63Å; E260-R359 IonicContact OE1-NE 2.84Å; E260-R359 IonicContact OE1-NH1 2.67Å; E260-R359 PolarHBondContact OE1-NH1 3.11Å; A261-R359 WeakPolarHBondContact O-CB 3.36Å; A261-R359 PolarHBondContact O-N 3.29Å; D262-R359 CarbonylContact C-O 3.57Å; D262-R359 IonicContact OD1-CZ 3.23Å; D262-R359 IonicContact OD1-NE 2.64Å; D262-R359 PolarHBondContact OD1-NE 3.35Å; D262-R359 IonicContact OD1-NH2 2.78Å; D262-R359 PolarHBondContact OD1-NH2 3.41Å; D262-R359 IonicContact OD2-CZ 2.7Å; D262-R359 IonicContact OD2-NH2 2.76Å; D262-R359 PolarHBondContact OD2-NH2 2.88Å; V263-R359 PolarHBondContact N-O 2.88Å; R359-T394 HydrophobicContact CG-CG2 4.18Å; R359-L431 HydrophobicContact CG-CD2 4.31Å
360	L	94.2	Very high	96.1	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.5	-172.2	-95.3	97	0	0	0	111.5	V358 W373 I374 T377 W393 Q395	V358-L360 HydrophobicContact CB-CD1 4.14Å; V358-L360 HydrophobicContact CG1-CD1 3.5Å; V358-L360 VanDerWaalsContact CG1-CD1 3.5Å; V358-L360 HydrophobicContact CG1-CG 4.47Å; L360-W373 HydrophobicContact CB-CH2 3.77Å; L360-W373 HydrophobicContact CB-CZ3 3.41Å; L360-W373 VanDerWaalsContact CB-CZ3 3.41Å; L360-W373 HydrophobicContact CD2-CE3 3.85Å; L360-W373 HydrophobicContact CD2-CH2 3.99Å; L360-W373 HydrophobicContact CD2-CZ3 3.43Å; L360-W373 VanDerWaalsContact CD2-CZ3 3.43Å; L360-W373 HydrophobicContact CG-CH2 4.47Å; L360-W373 HydrophobicContact CG-CZ3 3.84Å; L360-I374 HydrophobicContact CD2-CG1 4.23Å; L360-T377 HydrophobicContact CD1-CG2 4.42Å; L360-T377 HydrophobicContact CD2-CG2 4.1Å; L360-T377 HydrophobicContact CG-CG2 4.34Å; L360-W393 HydrophobicContact CD1-CD2 4.45Å; L360-W393 HydrophobicContact CD1-CE3 4.21Å; L360-W393 HydrophobicContact CD1-CH2 3.65Å; L360-W393 HydrophobicContact CD1-CZ2 3.88Å; L360-W393 HydrophobicContact CD1-CZ3 3.81Å; L360-W393 HydrophobicContact CD2-CH2 3.61Å; L360-W393 HydrophobicContact CD2-CZ2 3.71Å; L360-W393 HydrophobicContact CG-CH2 4.3Å; L360-W393 HydrophobicContact CG-CZ2 4.49Å; L360-Q395 HydrophobicContact CB-CB 4.17Å; L360-Q395 HydrophobicContact CD1-CB 4.5Å
361	R	92.4	Very high	95.9	Very high	56 Å²	56	61.4 Å²	61.4	21%	0.211	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-100.3	121.9	170.8	-170.9	-176.9	-55.4	105.1	37.4	110.7	V263 M274 H275 D276 W373	V263-R361 PolarHBondContact O-N 3.44Å; M274-R361 PolarHBondContact O-NH1 2.73Å; M274-R361 PolarHBondContact O-NH2 3.33Å; H275-R361 PolarHBondContact O-NH1 3.11Å; H275-R361 PolarHBondContact O-NH2 3.45Å; D276-R361 PolarHBondContact O-NH1 3.11Å; R361-W373 WeakPolarHBondContact O-CZ3 3Å
362	R	93.9	Very high	95.8	Very high	138 Å²	138	58 Å²	58	52%	0.521	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63.9	127.3	173.6	-165	179.8	-143.1	129.4	10.7	110.2	W373 D397	R362-W373 HydrophobicContact CB-CH2 4.24Å; R362-W373 HydrophobicContact CB-CZ2 4.03Å; R362-W373 HydrophobicContact CG-CZ2 4.09Å; R362-D397 IonicContact CZ-OD2 3.09Å; R362-D397 IonicContact NH1-OD2 2.71Å; R362-D397 PolarHBondContact NH1-OD2 3.44Å; R362-D397 IonicContact NH2-OD2 3.52Å
363	P	94.6	Very high	95.7	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.039	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70.6	168.1	176	32	-37.8	0	0	0	111.4	I265 H367 N370 W373	I265-P363 HydrophobicContact CG2-CB 3.87Å; I265-P363 HydrophobicContact CG2-CG 3.77Å; P363-H367 HydrophobicContact CB-CB 3.89Å; P363-H367 HydrophobicContact CG-CB 4.3Å; P363-N370 HydrophobicContact CG-CB 4.49Å; P363-N370 PolarHBondContact O-ND2 2.8Å; P363-W373 HydrophobicContact CG-CB 4.18Å; P363-W373 HydrophobicContact CG-CG 4.25Å
364	P	94.1	Very high	95.7	Very high	43 Å²	43	48 Å²	48	28%	0.279	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-54.5	155.1	176.2	-26.4	35.7	0	0	0	113.3	A296 W299 D366 H367 N370	A296-P364 HydrophobicContact CB-CG 4.46Å; W299-P364 HydrophobicContact CZ2-CB 4.48Å; P364-D366 VanDerWaalsContact C-N 3.3Å; P364-D366 PolarHBondContact O-N 2.9Å; P364-H367 WeakPolarHBondContact O-CB 3.39Å; P364-H367 PolarHBondContact O-N 3.27Å; P364-N370 PolarHBondContact O-ND2 3.48Å
365	R	93.5	Very high	95.5	Very high	226 Å²	226	49.6 Å²	49.6	85%	0.853	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-39.4	-174.8	-70.3	-175.5	179.7	178.1	0	113.7	H367	R365-H367 PolarHBondContact O-N 3.06Å
366	D	95.1	Very high	95.4	Very high	144 Å²	144	51.2 Å²	51.2	77%	0.77	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	2	-178.4	-52.6	-44.6	0	0	0	113.2	W299 P364	W299-D366 HydrophobicContact CH2-CB 4.32Å; W299-D366 WeakPolarHBondContact CH2-O 3.03Å; W299-D366 HydrophobicContact CZ2-CB 4.31Å; P364-D366 VanDerWaalsContact C-N 3.3Å; P364-D366 PolarHBondContact O-N 2.9Å
367	H	97.2	Very high	95.3	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.028	25%	0.252	C	S	.	.	S	Bend	trans	-68.9	136.7	179.6	-169.9	-90.9	0	0	0	110.7	S266 V267 S298 P363 P364 R365 F369 N370	S266-H367 PolarHBondContact O-CE1 3.44Å; S266-H367 VanDerWaalsContact O-CE1 3.23Å; S266-H367 PolarHBondContact O-NE2 3.34Å; V267-H367 WeakPolarHBondContact CA-NE2 3.46Å; S298-H367 PolarHBondContact O-NE2 3.07Å; P363-H367 HydrophobicContact CB-CB 3.89Å; P363-H367 HydrophobicContact CG-CB 4.3Å; P364-H367 WeakPolarHBondContact O-CB 3.39Å; P364-H367 PolarHBondContact O-N 3.27Å; R365-H367 PolarHBondContact O-N 3.06Å; H367-F369 AromaticContact CE1-CD2 3.82Å; H367-F369 PolarHBondContact ND1-N 3.47Å; H367-F369 VanDerWaalsContact ND1-N 3.18Å; H367-F369 PolarHBondContact O-N 3.05Å; H367-F369 VanDerWaalsContact O-N 3.09Å; H367-N370 HydrophobicContact CB-CB 4.37Å; H367-N370 VanDerWaalsContact O-CB 3.28Å; H367-N370 WeakPolarHBondContact O-CB 3.43Å; H367-N370 PolarHBondContact O-N 2.91Å
368	P	97.1	Very high	95.2	Very high	78 Å²	78	51.2 Å²	51.2	51%	0.506	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31	-176.2	19.6	-31.7	0	0	0	113.5	V267	V267-P368 HydrophobicContact CG2-CG 4Å; V267-P368 WeakPolarHBondContact O-CG 3.41Å
369	F	96.6	Very high	95.2	Very high	42 Å²	42	56.3 Å²	56.3	18%	0.184	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	14.1	177.9	-62.1	-87.6	0	0	0	114.1	I265 V267 G269 H367 S371 T372 W373 E376	I265-F369 HydrophobicContact CD1-CB 3.86Å; I265-F369 HydrophobicContact CD1-CD1 4.39Å; I265-F369 HydrophobicContact CD1-CG 4.09Å; V267-F369 WeakPolarHBondContact O-CE2 3.4Å; G269-F369 VanDerWaalsContact CA-CZ 3.46Å; H367-F369 AromaticContact CE1-CD2 3.82Å; H367-F369 PolarHBondContact ND1-N 3.47Å; H367-F369 VanDerWaalsContact ND1-N 3.18Å; H367-F369 PolarHBondContact O-N 3.05Å; H367-F369 VanDerWaalsContact O-N 3.09Å; F369-S371 PolarHBondContact O-N 2.87Å; F369-S371 VanDerWaalsContact O-N 3.17Å; F369-T372 WeakPolarHBondContact CD1-OG1 3.35Å; F369-T372 PolarHBondContact O-N 3.37Å; F369-T372 VanDerWaalsContact O-N 3.13Å; F369-W373 WeakPolarHBondContact O-CA 3.46Å; F369-W373 VanDerWaalsContact O-CB 3.23Å; F369-W373 WeakPolarHBondContact O-CB 3.44Å; F369-W373 PolarHBondContact O-N 3.29Å; F369-E376 HydrophobicContact CD1-CG 3.61Å; F369-E376 HydrophobicContact CE1-CG 4.02Å
370	N	95.6	Very high	95.2	Very high	33 Å²	33	56.3 Å²	56.3	18%	0.176	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.2	-177	-175.6	-91.6	0	0	0	114.3	P363 P364 H367 W373	P363-N370 HydrophobicContact CG-CB 4.49Å; P363-N370 PolarHBondContact O-ND2 2.8Å; P364-N370 PolarHBondContact O-ND2 3.48Å; H367-N370 HydrophobicContact CB-CB 4.37Å; H367-N370 VanDerWaalsContact O-CB 3.28Å; H367-N370 WeakPolarHBondContact O-CB 3.43Å; H367-N370 PolarHBondContact O-N 2.91Å; N370-W373 PolarHBondContact O-NE1 2.94Å
371	S	94	Very high	95.3	Very high	87 Å²	87	55.4 Å²	55.4	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-14.9	177.8	53.1	0	0	0	0	114.1	F369	F369-S371 PolarHBondContact O-N 2.87Å; F369-S371 VanDerWaalsContact O-N 3.17Å
372	T	94.9	Very high	95.4	Very high	46 Å²	46	56.2 Å²	56.2	28%	0.282	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-3.6	-173.1	57.2	0	0	0	0	114.4	F369 I374 N375 E376	F369-T372 WeakPolarHBondContact CD1-OG1 3.35Å; F369-T372 PolarHBondContact O-N 3.37Å; F369-T372 VanDerWaalsContact O-N 3.13Å; T372-I374 PolarHBondContact O-N 3.3Å; T372-I374 VanDerWaalsContact O-N 3.1Å; T372-N375 WeakPolarHBondContact O-CA 3.48Å; T372-N375 WeakPolarHBondContact O-CB 3.42Å; T372-N375 PolarHBondContact O-N 2.82Å; T372-E376 PolarHBondContact O-N 2.98Å
373	W	94.6	Very high	95.5	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-53.3	-32.6	-177	66.5	-67.3	0	0	0	114.9	I265 L360 R361 R362 P363 F369 N370 T377 Q395	I265-W373 HydrophobicContact CD1-CB 4.14Å; I265-W373 HydrophobicContact CG2-CB 4Å; L360-W373 HydrophobicContact CB-CH2 3.77Å; L360-W373 HydrophobicContact CB-CZ3 3.41Å; L360-W373 VanDerWaalsContact CB-CZ3 3.41Å; L360-W373 HydrophobicContact CD2-CE3 3.85Å; L360-W373 HydrophobicContact CD2-CH2 3.99Å; L360-W373 HydrophobicContact CD2-CZ3 3.43Å; L360-W373 VanDerWaalsContact CD2-CZ3 3.43Å; L360-W373 HydrophobicContact CG-CH2 4.47Å; L360-W373 HydrophobicContact CG-CZ3 3.84Å; R361-W373 WeakPolarHBondContact O-CZ3 3Å; R362-W373 HydrophobicContact CB-CH2 4.24Å; R362-W373 HydrophobicContact CB-CZ2 4.03Å; R362-W373 HydrophobicContact CG-CZ2 4.09Å; P363-W373 HydrophobicContact CG-CB 4.18Å; P363-W373 HydrophobicContact CG-CG 4.25Å; F369-W373 WeakPolarHBondContact O-CA 3.46Å; F369-W373 VanDerWaalsContact O-CB 3.23Å; F369-W373 WeakPolarHBondContact O-CB 3.44Å; F369-W373 PolarHBondContact O-N 3.29Å; N370-W373 PolarHBondContact O-NE1 2.94Å; W373-T377 WeakPolarHBondContact O-CB 3.41Å; W373-T377 PolarHBondContact O-N 3.38Å; W373-T377 PolarHBondContact O-OG1 2.75Å; W373-Q395 HydrophobicContact CH2-CG 4.23Å
374	I	95.6	Very high	95.5	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-48.4	173.2	-73.8	169.4	0	0	0	110.1	L360 T372 T377 L378 W393 Q395 D397 E398 V402	L360-I374 HydrophobicContact CD2-CG1 4.23Å; T372-I374 PolarHBondContact O-N 3.3Å; T372-I374 VanDerWaalsContact O-N 3.1Å; I374-T377 PolarHBondContact O-N 2.92Å; I374-L378 VanDerWaalsContact O-CB 3.24Å; I374-L378 WeakPolarHBondContact O-CB 3.46Å; I374-L378 PolarHBondContact O-N 3.04Å; I374-W393 HydrophobicContact CG2-CZ2 4.04Å; I374-Q395 HydrophobicContact CD1-CG 4.05Å; I374-Q395 HydrophobicContact CG1-CG 4.47Å; I374-D397 HydrophobicContact CD1-CB 3.91Å; I374-E398 HydrophobicContact CD1-CB 4.22Å; I374-E398 HydrophobicContact CD1-CG 4.33Å; I374-V402 HydrophobicContact CG2-CG2 4.03Å
375	N	95.4	Very high	95.4	Very high	49 Å²	49	57 Å²	57	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-43.7	-179.3	-65.7	-1.4	0	0	0	111.5	T372 T377 L378 Q379	T372-N375 WeakPolarHBondContact O-CA 3.48Å; T372-N375 WeakPolarHBondContact O-CB 3.42Å; T372-N375 PolarHBondContact O-N 2.82Å; N375-T377 VanDerWaalsContact C-N 3.33Å; N375-T377 PolarHBondContact O-N 3.16Å; N375-L378 PolarHBondContact O-N 3.08Å; N375-Q379 WeakPolarHBondContact O-CB 3.43Å; N375-Q379 PolarHBondContact O-N 3.1Å
376	E	95.9	Very high	95.6	Very high	54 Å²	54	46.8 Å²	46.8	25%	0.252	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-45.2	175.9	-59.9	-57.1	155.2	0	0	111.2	I265 F369 T372 Q379 V380	I265-E376 HydrophobicContact CD1-CB 3.63Å; I265-E376 HydrophobicContact CD1-CG 3.84Å; F369-E376 HydrophobicContact CD1-CG 3.61Å; F369-E376 HydrophobicContact CE1-CG 4.02Å; T372-E376 PolarHBondContact O-N 2.98Å; E376-Q379 PolarHBondContact O-N 3.44Å; E376-V380 WeakPolarHBondContact O-CG2 3.38Å; E376-V380 PolarHBondContact O-N 3.13Å
377	T	96.4	Very high	95.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-45.6	177.6	-56	0	0	0	0	111	V263 L342 V358 L360 W373 I374 N375 Q379 V380 V381 W393	V263-T377 HydrophobicContact CG1-CG2 4.28Å; L342-T377 HydrophobicContact CD2-CG2 3.62Å; V358-T377 HydrophobicContact CG1-CG2 4.45Å; L360-T377 HydrophobicContact CD1-CG2 4.42Å; L360-T377 HydrophobicContact CD2-CG2 4.1Å; L360-T377 HydrophobicContact CG-CG2 4.34Å; W373-T377 WeakPolarHBondContact O-CB 3.41Å; W373-T377 PolarHBondContact O-N 3.38Å; W373-T377 PolarHBondContact O-OG1 2.75Å; I374-T377 PolarHBondContact O-N 2.92Å; N375-T377 VanDerWaalsContact C-N 3.33Å; N375-T377 PolarHBondContact O-N 3.16Å; T377-Q379 VanDerWaalsContact C-N 3.33Å; T377-Q379 PolarHBondContact O-N 2.89Å; T377-V380 PolarHBondContact O-N 3.02Å; T377-V381 WeakPolarHBondContact O-CG2 3.42Å; T377-V381 PolarHBondContact O-N 3.47Å; T377-W393 HydrophobicContact CG2-CH2 4.17Å; T377-W393 HydrophobicContact CG2-CZ3 4.27Å
378	L	95.7	Very high	95.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-42.4	179.6	-178.5	63	0	0	0	111.6	I374 N375 V380 V381 Q382 V402 W405 A406 F409	I374-L378 VanDerWaalsContact O-CB 3.24Å; I374-L378 WeakPolarHBondContact O-CB 3.46Å; I374-L378 PolarHBondContact O-N 3.04Å; N375-L378 PolarHBondContact O-N 3.08Å; L378-V380 PolarHBondContact O-N 3.22Å; L378-V381 PolarHBondContact O-N 3.28Å; L378-Q382 HydrophobicContact CD1-CG 4.45Å; L378-Q382 WeakPolarHBondContact O-CG 3.36Å; L378-Q382 PolarHBondContact O-N 3.26Å; L378-V402 HydrophobicContact CD1-CG1 4.41Å; L378-W405 HydrophobicContact CD2-CB 3.78Å; L378-W405 HydrophobicContact CD2-CD2 4.14Å; L378-W405 HydrophobicContact CD2-CE3 3.76Å; L378-W405 HydrophobicContact CD2-CG 4.2Å; L378-A406 HydrophobicContact CD1-CB 3.99Å; L378-F409 HydrophobicContact CD1-CD2 4.4Å; L378-F409 HydrophobicContact CD1-CE2 3.41Å; L378-F409 VanDerWaalsContact CD1-CE2 3.41Å; L378-F409 HydrophobicContact CD1-CZ 3.79Å
379	Q	95.9	Very high	95.6	Very high	107 Å²	107	47.1 Å²	47.1	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.7	-174.2	173.2	5.5	0	0	111.5	N375 E376 T377 V381 Q382 N383	N375-Q379 WeakPolarHBondContact O-CB 3.43Å; N375-Q379 PolarHBondContact O-N 3.1Å; E376-Q379 PolarHBondContact O-N 3.44Å; T377-Q379 VanDerWaalsContact C-N 3.33Å; T377-Q379 PolarHBondContact O-N 2.89Å; Q379-V381 VanDerWaalsContact C-N 3.35Å; Q379-V381 PolarHBondContact O-N 3.41Å; Q379-Q382 PolarHBondContact O-N 3.08Å; Q379-N383 WeakPolarHBondContact O-CB 3.44Å; Q379-N383 PolarHBondContact O-N 3.35Å; Q379-N383 PolarHBondContact O-ND2 3.48Å
380	V	97.3	Very high	95.7	Very high	34 Å²	34	46.3 Å²	46.3	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-42.2	174.7	172.6	0	0	0	0	111.4	P271 L342 E343 L346 E376 T377 L378 N383 S384	P271-V380 HydrophobicContact CG-CB 4.39Å; P271-V380 HydrophobicContact CG-CG2 3.91Å; L342-V380 HydrophobicContact CB-CG1 4.37Å; L342-V380 HydrophobicContact CD2-CG1 4.26Å; L342-V380 HydrophobicContact CG-CG1 4.26Å; E343-V380 HydrophobicContact CB-CG1 4.05Å; L346-V380 HydrophobicContact CD1-CG1 4.17Å; E376-V380 WeakPolarHBondContact O-CG2 3.38Å; E376-V380 PolarHBondContact O-N 3.13Å; T377-V380 PolarHBondContact O-N 3.02Å; L378-V380 PolarHBondContact O-N 3.22Å; V380-N383 PolarHBondContact O-N 2.93Å; V380-S384 PolarHBondContact O-N 2.96Å; V380-S384 VanDerWaalsContact O-N 3.16Å
381	V	96.4	Very high	95.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-46.9	177.3	-179.4	0	0	0	0	111.5	L342 L346 T377 L378 Q379 N383 S384 V391 F409	L342-V381 HydrophobicContact CD2-CG2 4.08Å; L346-V381 HydrophobicContact CD1-CB 4.24Å; L346-V381 HydrophobicContact CD1-CG2 3.92Å; T377-V381 WeakPolarHBondContact O-CG2 3.42Å; T377-V381 PolarHBondContact O-N 3.47Å; L378-V381 PolarHBondContact O-N 3.28Å; Q379-V381 VanDerWaalsContact C-N 3.35Å; Q379-V381 PolarHBondContact O-N 3.41Å; V381-N383 VanDerWaalsContact C-N 3.35Å; V381-N383 PolarHBondContact O-N 2.81Å; V381-S384 WeakPolarHBondContact O-CB 3.5Å; V381-S384 PolarHBondContact O-N 3.41Å; V381-S384 PolarHBondContact O-OG 2.93Å; V381-V391 HydrophobicContact CG1-CG1 4.06Å; V381-V391 HydrophobicContact CG1-CG2 3.75Å; V381-F409 HydrophobicContact CB-CZ 4.07Å; V381-F409 HydrophobicContact CG1-CE1 3.91Å; V381-F409 HydrophobicContact CG1-CE2 4.3Å; V381-F409 HydrophobicContact CG1-CZ 3.39Å
382	Q	93.5	Very high	96	Very high	74 Å²	74	41.4 Å²	41.4	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-37.9	180	-71.2	-169.9	-11	0	0	112.9	L378 Q379 S384 W405	L378-Q382 HydrophobicContact CD1-CG 4.45Å; L378-Q382 WeakPolarHBondContact O-CG 3.36Å; L378-Q382 PolarHBondContact O-N 3.26Å; Q379-Q382 PolarHBondContact O-N 3.08Å; Q382-S384 VanDerWaalsContact C-N 3.26Å; Q382-S384 PolarHBondContact O-N 3.03Å; Q382-W405 PolarHBondContact NE2-O 3.35Å
383	N	95.4	Very high	96	Very high	123 Å²	123	39.2 Å²	39.2	66%	0.658	22%	0.221	S	C	*	.	H	α-helix	trans	-75.8	-13.5	-179.6	-68.9	-15.8	0	0	0	113.5	Q379 V380 V381 G385	Q379-N383 WeakPolarHBondContact O-CB 3.44Å; Q379-N383 PolarHBondContact O-N 3.35Å; Q379-N383 PolarHBondContact O-ND2 3.48Å; V380-N383 PolarHBondContact O-N 2.93Å; V381-N383 VanDerWaalsContact C-N 3.35Å; V381-N383 PolarHBondContact O-N 2.81Å; N383-G385 PolarHBondContact O-N 2.94Å
384	S	95	Very high	96.1	Very high	22 Å²	22	39 Å²	39	15%	0.154	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17	-177.7	72.3	0	0	0	0	114.7	L346 V380 V381 Q382 L386	L346-S384 VanDerWaalsContact CB-CB 3.48Å; V380-S384 PolarHBondContact O-N 2.96Å; V380-S384 VanDerWaalsContact O-N 3.16Å; V381-S384 WeakPolarHBondContact O-CB 3.5Å; V381-S384 PolarHBondContact O-N 3.41Å; V381-S384 PolarHBondContact O-OG 2.93Å; Q382-S384 VanDerWaalsContact C-N 3.26Å; Q382-S384 PolarHBondContact O-N 3.03Å; S384-L386 PolarHBondContact O-N 3.31Å; S384-L386 WeakPolarHBondContact OG-CB 3.11Å; S384-L386 PolarHBondContact OG-N 2.86Å
385	G	92.4	Very high	96	Very high	57 Å²	57	40.3 Å²	40.3	59%	0.588	23%	0.226	S	C	*	.			trans	75.2	0.9	-173.5	0	0	0	0	0	114.7	S350 N383	S350-G385 PolarHBondContact OG-O 3.48Å; N383-G385 PolarHBondContact O-N 2.94Å
386	L	96.7	Very high	95.8	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.063	23%	0.227	C	C	.	.			trans	-65.4	136.3	172.3	-177.7	63.3	0	0	0	110.2	L346 A349 V356 S384 Q388 L390 V391	L346-L386 HydrophobicContact CD2-CD2 3.78Å; A349-L386 HydrophobicContact CB-CD1 4.25Å; A349-L386 HydrophobicContact CB-CD2 4.23Å; V356-L386 HydrophobicContact CB-CD2 4.33Å; V356-L386 HydrophobicContact CG2-CD2 3.91Å; S384-L386 PolarHBondContact O-N 3.31Å; S384-L386 WeakPolarHBondContact OG-CB 3.11Å; S384-L386 PolarHBondContact OG-N 2.86Å; L386-Q388 PolarHBondContact O-N 3.25Å; L386-L390 HydrophobicContact CD1-CB 4.09Å; L386-L390 HydrophobicContact CD1-CD1 3.99Å; L386-L390 HydrophobicContact CG-CB 4.32Å; L386-V391 HydrophobicContact CD2-CG2 3.79Å; L386-V391 HydrophobicContact CG-CG2 4.29Å
387	L	97.3	Very high	95.6	Very high	100 Å²	100	40.7 Å²	40.7	52%	0.524	23%	0.23	S	C	.	.			trans	-58.4	129.4	175.8	-70	172.8	0	0	0	110.2	S389 L390	L387-S389 PolarHBondContact O-N 3.45Å; L387-S389 VanDerWaalsContact O-N 3.11Å; L387-L390 HydrophobicContact CB-CD1 4.21Å; L387-L390 HydrophobicContact CB-CG 4.21Å; L387-L390 HydrophobicContact CD1-CD1 4.45Å; L387-L390 WeakPolarHBondContact O-CB 3.38Å; L387-L390 PolarHBondContact O-N 3.09Å
388	Q	96.6	Very high	95.3	Very high	64 Å²	64	44.2 Å²	44.2	30%	0.299	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55.6	-34.3	-179.5	-67.9	-168.1	9.7	0	0	112.5	L386 L390 V391 A406 G408 F409	L386-Q388 PolarHBondContact O-N 3.25Å; Q388-L390 PolarHBondContact O-N 2.91Å; Q388-L390 VanDerWaalsContact O-N 3.11Å; Q388-V391 PolarHBondContact O-N 2.98Å; Q388-A406 VanDerWaalsContact OE1-C 3.31Å; Q388-G408 CarbonylContact C-O 3.56Å; Q388-G408 VanDerWaalsContact C-O 3.29Å; Q388-G408 CarbonylContact O-C 3.54Å; Q388-G408 VanDerWaalsContact O-O 3.09Å; Q388-F409 HydrophobicContact CB-CD1 3.81Å; Q388-F409 HydrophobicContact CB-CE1 4.08Å; Q388-F409 HydrophobicContact CG-CD1 4.11Å; Q388-F409 HydrophobicContact CG-CE1 3.93Å; Q388-F409 WeakPolarHBondContact O-CA 3.43Å
389	S	96.8	Very high	95.2	Very high	71 Å²	71	44.8 Å²	44.8	50%	0.497	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-65.9	-8.6	176.9	58.5	0	0	0	0	114.7	L387 G408 I410	L387-S389 PolarHBondContact O-N 3.45Å; L387-S389 VanDerWaalsContact O-N 3.11Å; S389-G408 VanDerWaalsContact CA-O 3.31Å; S389-G408 WeakPolarHBondContact CA-O 3.17Å; S389-G408 PolarHBondContact N-O 3.4Å; S389-I410 VanDerWaalsContact O-CD1 3.28Å; S389-I410 WeakPolarHBondContact O-CD1 3.1Å
390	L	97.7	Very high	95	Very high	26 Å²	26	45 Å²	45	14%	0.136	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-103.1	4.5	175.2	-64.1	-179.6	0	0	0	112.5	N353 T355 V356 L386 L387 Q388	N353-L390 WeakPolarHBondContact OD1-CD1 3.35Å; T355-L390 CarbonylContact C-O 3.42Å; T355-L390 WeakPolarHBondContact CA-O 3.3Å; T355-L390 WeakPolarHBondContact CG2-O 3.34Å; V356-L390 PolarHBondContact N-O 3.34Å; L386-L390 HydrophobicContact CD1-CB 4.09Å; L386-L390 HydrophobicContact CD1-CD1 3.99Å; L386-L390 HydrophobicContact CG-CB 4.32Å; L387-L390 HydrophobicContact CB-CD1 4.21Å; L387-L390 HydrophobicContact CB-CG 4.21Å; L387-L390 HydrophobicContact CD1-CD1 4.45Å; L387-L390 WeakPolarHBondContact O-CB 3.38Å; L387-L390 PolarHBondContact O-N 3.09Å; Q388-L390 PolarHBondContact O-N 2.91Å; Q388-L390 VanDerWaalsContact O-N 3.11Å
391	V	97.9	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.1	178	-179	0	0	0	0	109.1	V358 V381 L386 Q388 F409 I410	V358-V391 HydrophobicContact CG2-CG1 4.12Å; V381-V391 HydrophobicContact CG1-CG1 4.06Å; V381-V391 HydrophobicContact CG1-CG2 3.75Å; L386-V391 HydrophobicContact CD2-CG2 3.79Å; L386-V391 HydrophobicContact CG-CG2 4.29Å; Q388-V391 PolarHBondContact O-N 2.98Å; V391-F409 HydrophobicContact CB-CD1 3.61Å; V391-F409 HydrophobicContact CB-CE1 3.71Å; V391-F409 HydrophobicContact CB-CG 4.1Å; V391-F409 HydrophobicContact CB-CZ 4.28Å; V391-F409 HydrophobicContact CG1-CD1 3.95Å; V391-F409 HydrophobicContact CG1-CD2 4.07Å; V391-F409 HydrophobicContact CG1-CE1 3.89Å; V391-F409 HydrophobicContact CG1-CE2 4Å; V391-F409 HydrophobicContact CG1-CG 4.06Å; V391-F409 HydrophobicContact CG1-CZ 3.94Å; V391-F409 HydrophobicContact CG2-CD1 4.16Å; V391-F409 HydrophobicContact CG2-CE1 3.82Å; V391-F409 HydrophobicContact CG2-CZ 4.42Å; V391-I410 PolarHBondContact O-N 3.07Å
392	M	97.7	Very high	94.7	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	108.1	167.7	-73.5	-173.3	171.9	0	0	109.6	F231 T355 V356 V357 V358 I410	F231-M392 HydrophobicContact CE1-CE 4.42Å; F231-M392 HydrophobicContact CE1-SD 4.04Å; F231-M392 HydrophobicContact CZ-CE 3.96Å; F231-M392 HydrophobicContact CZ-SD 4.13Å; T355-M392 HydrophobicContact CG2-CE 4.28Å; T355-M392 HydrophobicContact CG2-CG 3.92Å; T355-M392 HydrophobicContact CG2-SD 4.16Å; V356-M392 PolarHBondContact O-N 3.05Å; V357-M392 HydrophobicContact CB-CB 4.27Å; V357-M392 HydrophobicContact CG1-CB 4.18Å; V357-M392 HydrophobicContact CG2-CB 4.02Å; V357-M392 HydrophobicContact CG2-CG 4.4Å; V357-M392 HydrophobicContact CG2-SD 3.78Å; V358-M392 PolarHBondContact N-O 2.93Å; M392-I410 WeakPolarHBondContact CA-O 3.32Å; M392-I410 HydrophobicContact CE-CD1 4.08Å; M392-I410 HydrophobicContact CE-CG2 4.39Å; M392-I410 HydrophobicContact CG-CB 3.91Å; M392-I410 HydrophobicContact CG-CD1 3.98Å; M392-I410 HydrophobicContact CG-CG2 4.02Å
393	W	96.8	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.9	-177.4	-173.3	-93	0	0	0	110.8	L360 I374 T377 Q395 R399 V402 F409 I410 T412	L360-W393 HydrophobicContact CD1-CD2 4.45Å; L360-W393 HydrophobicContact CD1-CE3 4.21Å; L360-W393 HydrophobicContact CD1-CH2 3.65Å; L360-W393 HydrophobicContact CD1-CZ2 3.88Å; L360-W393 HydrophobicContact CD1-CZ3 3.81Å; L360-W393 HydrophobicContact CD2-CH2 3.61Å; L360-W393 HydrophobicContact CD2-CZ2 3.71Å; L360-W393 HydrophobicContact CG-CH2 4.3Å; L360-W393 HydrophobicContact CG-CZ2 4.49Å; I374-W393 HydrophobicContact CG2-CZ2 4.04Å; T377-W393 HydrophobicContact CG2-CH2 4.17Å; T377-W393 HydrophobicContact CG2-CZ3 4.27Å; W393-Q395 HydrophobicContact CZ2-CB 4.37Å; W393-Q395 PolarHBondContact NE1-O 2.65Å; W393-R399 PolarHBondContact O-NH1 3.49Å; W393-V402 HydrophobicContact CD2-CG1 4.15Å; W393-V402 HydrophobicContact CG-CG1 4.13Å; W393-V402 HydrophobicContact CZ2-CG2 4.2Å; W393-F409 HydrophobicContact CB-CB 4.31Å; W393-F409 HydrophobicContact CB-CD2 3.9Å; W393-F409 HydrophobicContact CD2-CD2 4.19Å; W393-F409 HydrophobicContact CD2-CE2 4.33Å; W393-F409 AromaticContact CE3-CD2 3.98Å; W393-F409 HydrophobicContact CE3-CD2 3.98Å; W393-F409 AromaticContact CE3-CE2 3.74Å; W393-F409 HydrophobicContact CE3-CE2 3.74Å; W393-F409 HydrophobicContact CG-CD2 4.18Å; W393-F409 HydrophobicContact CZ3-CE2 4.24Å; W393-I410 PolarHBondContact N-O 3.21Å; W393-T412 PolarHBondContact O-N 3.29Å
394	T	95.7	Very high	94.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.253	C	S	.	.			trans	-88.4	-16.4	-170.6	71.9	0	0	0	0	114.5	V357 V358 R359 R399 T412 L414 L431	V357-T394 HydrophobicContact CG1-CG2 3.66Å; V358-T394 PolarHBondContact O-OG1 3Å; R359-T394 HydrophobicContact CG-CG2 4.18Å; T394-R399 PolarHBondContact O-NH2 2.69Å; T394-T412 CarbonylContact C-O 3.47Å; T394-T412 WeakPolarHBondContact CA-O 3.35Å; T394-T412 HydrophobicContact CG2-CG2 4.48Å; T394-L414 HydrophobicContact CG2-CD2 4.36Å; T394-L431 HydrophobicContact CG2-CD2 4.34Å
395	Q	93.9	Very high	94.5	Very high	30 Å²	30	52.8 Å²	52.8	14%	0.14	27%	0.271	C	S	.	.			trans	-81.7	126.4	-170.5	-179.1	60.7	-19.3	0	0	112.6	L360 W373 I374 W393 D397 R399	L360-Q395 HydrophobicContact CB-CB 4.17Å; L360-Q395 HydrophobicContact CD1-CB 4.5Å; W373-Q395 HydrophobicContact CH2-CG 4.23Å; I374-Q395 HydrophobicContact CD1-CG 4.05Å; I374-Q395 HydrophobicContact CG1-CG 4.47Å; W393-Q395 HydrophobicContact CZ2-CB 4.37Å; W393-Q395 PolarHBondContact NE1-O 2.65Å; Q395-D397 HydrophobicContact CG-CB 4.09Å; Q395-D397 VanDerWaalsContact NE2-CG 3.34Å; Q395-D397 PolarHBondContact NE2-OD2 2.83Å; Q395-R399 VanDerWaalsContact C-NH2 3.33Å; Q395-R399 VanDerWaalsContact O-CZ 3.23Å; Q395-R399 PolarHBondContact O-NH2 3.44Å; Q395-R399 VanDerWaalsContact O-NH2 3.11Å
396	D	91.7	Very high	94.6	Very high	52 Å²	52	50.1 Å²	50.1	28%	0.278	24%	0.243	S	C	.	.			trans	-83.2	-27.7	179.8	-76.1	-43.7	0	0	0	113.5	R399 S413	D396-R399 WeakPolarHBondContact O-CB 3.2Å; D396-R399 PolarHBondContact O-N 2.69Å; D396-R399 IonicContact OD1-CZ 3.86Å; D396-R399 VanDerWaalsContact OD1-CZ 3.23Å; D396-R399 IonicContact OD1-NE 2.85Å; D396-R399 PolarHBondContact OD1-NE 3.27Å; D396-R399 IonicContact OD1-NH2 2.8Å; D396-R399 PolarHBondContact OD1-NH2 2.94Å; D396-S413 PolarHBondContact OD1-OG 2.81Å; D396-S413 PolarHBondContact OD2-OG 3.23Å
397	D	90.6	Very high	94.5	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	137	173.9	-67.9	-16	0	0	0	110.5	R362 I374 Q395 R399	R362-D397 IonicContact CZ-OD2 3.09Å; R362-D397 IonicContact NH1-OD2 2.71Å; R362-D397 PolarHBondContact NH1-OD2 3.44Å; R362-D397 IonicContact NH2-OD2 3.52Å; I374-D397 HydrophobicContact CD1-CB 3.91Å; Q395-D397 HydrophobicContact CG-CB 4.09Å; Q395-D397 VanDerWaalsContact NE2-CG 3.34Å; Q395-D397 PolarHBondContact NE2-OD2 2.83Å; D397-R399 PolarHBondContact O-N 2.97Å
398	E	91.1	Very high	94.4	Very high	77 Å²	77	51 Å²	51	36%	0.36	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	19.9	175.7	-57.5	179.7	164	0	0	114.6	I374 E400 Q401 V402	I374-E398 HydrophobicContact CD1-CB 4.22Å; I374-E398 HydrophobicContact CD1-CG 4.33Å; E398-E400 VanDerWaalsContact C-N 3.26Å; E398-E400 PolarHBondContact O-N 3.23Å; E398-E400 VanDerWaalsContact O-N 3.13Å; E398-Q401 WeakPolarHBondContact O-CA 3.48Å; E398-Q401 WeakPolarHBondContact O-CB 3.31Å; E398-Q401 PolarHBondContact O-N 3.47Å; E398-V402 PolarHBondContact O-N 3.25Å; E398-V402 VanDerWaalsContact O-N 3.1Å
399	R	92.4	Very high	94.4	Very high	13 Å²	13	48.4 Å²	48.4	5%	0.049	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-36.9	-174.7	-171.5	177.1	-70.3	-77.1	5	114	W393 T394 Q395 D396 D397 Q401 V402 K403 Q411 T412	W393-R399 PolarHBondContact O-NH1 3.49Å; T394-R399 PolarHBondContact O-NH2 2.69Å; Q395-R399 VanDerWaalsContact C-NH2 3.33Å; Q395-R399 VanDerWaalsContact O-CZ 3.23Å; Q395-R399 PolarHBondContact O-NH2 3.44Å; Q395-R399 VanDerWaalsContact O-NH2 3.11Å; D396-R399 WeakPolarHBondContact O-CB 3.2Å; D396-R399 PolarHBondContact O-N 2.69Å; D396-R399 IonicContact OD1-CZ 3.86Å; D396-R399 VanDerWaalsContact OD1-CZ 3.23Å; D396-R399 IonicContact OD1-NE 2.85Å; D396-R399 PolarHBondContact OD1-NE 3.27Å; D396-R399 IonicContact OD1-NH2 2.8Å; D396-R399 PolarHBondContact OD1-NH2 2.94Å; D397-R399 PolarHBondContact O-N 2.97Å; R399-Q401 VanDerWaalsContact C-N 3.31Å; R399-Q401 PolarHBondContact O-N 3.16Å; R399-V402 PolarHBondContact O-N 3.2Å; R399-K403 WeakPolarHBondContact O-CG 3.27Å; R399-K403 PolarHBondContact O-N 3.33Å; R399-Q411 VanDerWaalsContact CG-OE1 3.23Å; R399-T412 PolarHBondContact NH1-O 3.18Å; R399-T412 PolarHBondContact NH2-O 3.35Å
400	E	92.9	Very high	94.4	Very high	111 Å²	111	47.4 Å²	47.4	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-35.6	176.3	-67.6	-52.7	125.2	0	0	112.5	E398 K403 Q404	E398-E400 VanDerWaalsContact C-N 3.26Å; E398-E400 PolarHBondContact O-N 3.23Å; E398-E400 VanDerWaalsContact O-N 3.13Å; E400-K403 IonicContact OE1-NZ 3.5Å; E400-K403 PolarHBondContact OE1-NZ 2.9Å; E400-K403 IonicContact OE2-NZ 3.4Å; E400-Q404 WeakPolarHBondContact O-CG 3.42Å; E400-Q404 PolarHBondContact O-N 2.89Å
401	Q	92.3	Very high	94.4	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	23%	0.234	S	C	.	.	H	α-helix	trans	-69.4	-44.6	173.9	-59.2	-178.4	13.9	0	0	110.3	E398 R399 K403 Q404 W405	E398-Q401 WeakPolarHBondContact O-CA 3.48Å; E398-Q401 WeakPolarHBondContact O-CB 3.31Å; E398-Q401 PolarHBondContact O-N 3.47Å; R399-Q401 VanDerWaalsContact C-N 3.31Å; R399-Q401 PolarHBondContact O-N 3.16Å; Q401-K403 VanDerWaalsContact C-N 3.31Å; Q401-K403 PolarHBondContact O-N 3.28Å; Q401-Q404 WeakPolarHBondContact O-CB 2.94Å; Q401-Q404 PolarHBondContact O-N 3.44Å; Q401-Q404 VanDerWaalsContact O-N 3.08Å; Q401-W405 PolarHBondContact O-N 3.1Å
402	V	93.8	Very high	94.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-41.7	177	178	0	0	0	0	111.4	I374 L378 W393 E398 R399 Q404 W405 A406 F409	I374-V402 HydrophobicContact CG2-CG2 4.03Å; L378-V402 HydrophobicContact CD1-CG1 4.41Å; W393-V402 HydrophobicContact CD2-CG1 4.15Å; W393-V402 HydrophobicContact CG-CG1 4.13Å; W393-V402 HydrophobicContact CZ2-CG2 4.2Å; E398-V402 PolarHBondContact O-N 3.25Å; E398-V402 VanDerWaalsContact O-N 3.1Å; R399-V402 PolarHBondContact O-N 3.2Å; V402-Q404 VanDerWaalsContact C-N 3.33Å; V402-Q404 PolarHBondContact O-N 3.36Å; V402-W405 PolarHBondContact O-N 3.05Å; V402-A406 WeakPolarHBondContact O-CA 3.16Å; V402-A406 PolarHBondContact O-N 3.17Å; V402-F409 HydrophobicContact CG1-CD2 3.99Å; V402-F409 HydrophobicContact CG1-CE2 4.43Å
403	K	94.4	Very high	94.2	Very high	42 Å²	42	46.1 Å²	46.1	18%	0.183	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-36.5	175.5	-74.5	173.7	-175	165.1	0	113.2	R399 E400 Q401 P407 Q411 S425	R399-K403 WeakPolarHBondContact O-CG 3.27Å; R399-K403 PolarHBondContact O-N 3.33Å; E400-K403 IonicContact OE1-NZ 3.5Å; E400-K403 PolarHBondContact OE1-NZ 2.9Å; E400-K403 IonicContact OE2-NZ 3.4Å; Q401-K403 VanDerWaalsContact C-N 3.31Å; Q401-K403 PolarHBondContact O-N 3.28Å; K403-P407 WeakPolarHBondContact O-CA 3.5Å; K403-P407 WeakPolarHBondContact O-CB 3.35Å; K403-Q411 HydrophobicContact CG-CG 4.27Å; K403-S425 WeakPolarHBondContact CE-O 3.46Å; K403-S425 PolarHBondContact NZ-O 3.34Å
404	Q	93.6	Very high	94.2	Very high	148 Å²	148	49 Å²	49	69%	0.692	25%	0.246	S	C	*	.	H	α-helix	trans	-68.6	-39.5	176.9	-71.9	172.3	11.1	0	0	111.3	E400 Q401 V402	E400-Q404 WeakPolarHBondContact O-CG 3.42Å; E400-Q404 PolarHBondContact O-N 2.89Å; Q401-Q404 WeakPolarHBondContact O-CB 2.94Å; Q401-Q404 PolarHBondContact O-N 3.44Å; Q401-Q404 VanDerWaalsContact O-N 3.08Å; V402-Q404 VanDerWaalsContact C-N 3.33Å; V402-Q404 PolarHBondContact O-N 3.36Å
405	W	92.1	Very high	94.2	Very high	138 Å²	138	52.4 Å²	52.4	52%	0.523	27%	0.267	S	S	.	.	H	α-helix	trans	-81.9	-38.3	-176.4	-74	45.9	0	0	0	112.8	L378 Q382 Q401 V402	L378-W405 HydrophobicContact CD2-CB 3.78Å; L378-W405 HydrophobicContact CD2-CD2 4.14Å; L378-W405 HydrophobicContact CD2-CE3 3.76Å; L378-W405 HydrophobicContact CD2-CG 4.2Å; Q382-W405 PolarHBondContact NE2-O 3.35Å; Q401-W405 PolarHBondContact O-N 3.1Å; V402-W405 PolarHBondContact O-N 3.05Å
406	A	94.6	Very high	94.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.			trans	-132.2	68.8	-177.6	0	0	0	0	0	111.1	L378 Q388 V402 G408 F409	L378-A406 HydrophobicContact CD1-CB 3.99Å; Q388-A406 VanDerWaalsContact OE1-C 3.31Å; V402-A406 WeakPolarHBondContact O-CA 3.16Å; V402-A406 PolarHBondContact O-N 3.17Å; A406-G408 PolarHBondContact O-N 2.89Å; A406-G408 VanDerWaalsContact O-N 3.09Å; A406-F409 HydrophobicContact CB-CD1 3.76Å; A406-F409 HydrophobicContact CB-CD2 3.69Å; A406-F409 HydrophobicContact CB-CE1 3.72Å; A406-F409 HydrophobicContact CB-CE2 3.66Å; A406-F409 HydrophobicContact CB-CG 3.74Å; A406-F409 HydrophobicContact CB-CZ 3.64Å; A406-F409 PolarHBondContact O-N 2.83Å; A406-F409 VanDerWaalsContact O-N 3.11Å
407	P	94.8	Very high	94.5	Very high	100 Å²	100	55.5 Å²	55.5	65%	0.649	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	-175.5	25.7	-35.5	0	0	0	113.8	K403	K403-P407 WeakPolarHBondContact O-CA 3.5Å; K403-P407 WeakPolarHBondContact O-CB 3.35Å
408	G	95.8	Very high	94.7	Very high	32 Å²	32	55.4 Å²	55.4	33%	0.33	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.1	177.9	0	0	0	0	0	114.8	Q388 S389 A406	Q388-G408 CarbonylContact C-O 3.56Å; Q388-G408 VanDerWaalsContact C-O 3.29Å; Q388-G408 CarbonylContact O-C 3.54Å; Q388-G408 VanDerWaalsContact O-O 3.09Å; S389-G408 VanDerWaalsContact CA-O 3.31Å; S389-G408 WeakPolarHBondContact CA-O 3.17Å; S389-G408 PolarHBondContact N-O 3.4Å; A406-G408 PolarHBondContact O-N 2.89Å; A406-G408 VanDerWaalsContact O-N 3.09Å
409	F	96.7	Very high	95	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.039	27%	0.267	C	S	.	.	S	Bend	trans	-63.3	138	179.9	-76	5	0	0	0	111.7	L378 V381 Q388 V391 W393 V402 A406 Q411	L378-F409 HydrophobicContact CD1-CD2 4.4Å; L378-F409 HydrophobicContact CD1-CE2 3.41Å; L378-F409 VanDerWaalsContact CD1-CE2 3.41Å; L378-F409 HydrophobicContact CD1-CZ 3.79Å; V381-F409 HydrophobicContact CB-CZ 4.07Å; V381-F409 HydrophobicContact CG1-CE1 3.91Å; V381-F409 HydrophobicContact CG1-CE2 4.3Å; V381-F409 HydrophobicContact CG1-CZ 3.39Å; Q388-F409 HydrophobicContact CB-CD1 3.81Å; Q388-F409 HydrophobicContact CB-CE1 4.08Å; Q388-F409 HydrophobicContact CG-CD1 4.11Å; Q388-F409 HydrophobicContact CG-CE1 3.93Å; Q388-F409 WeakPolarHBondContact O-CA 3.43Å; V391-F409 HydrophobicContact CB-CD1 3.61Å; V391-F409 HydrophobicContact CB-CE1 3.71Å; V391-F409 HydrophobicContact CB-CG 4.1Å; V391-F409 HydrophobicContact CB-CZ 4.28Å; V391-F409 HydrophobicContact CG1-CD1 3.95Å; V391-F409 HydrophobicContact CG1-CD2 4.07Å; V391-F409 HydrophobicContact CG1-CE1 3.89Å; V391-F409 HydrophobicContact CG1-CE2 4Å; V391-F409 HydrophobicContact CG1-CG 4.06Å; V391-F409 HydrophobicContact CG1-CZ 3.94Å; V391-F409 HydrophobicContact CG2-CD1 4.16Å; V391-F409 HydrophobicContact CG2-CE1 3.82Å; V391-F409 HydrophobicContact CG2-CZ 4.42Å; W393-F409 HydrophobicContact CB-CB 4.31Å; W393-F409 HydrophobicContact CB-CD2 3.9Å; W393-F409 HydrophobicContact CD2-CD2 4.19Å; W393-F409 HydrophobicContact CD2-CE2 4.33Å; W393-F409 AromaticContact CE3-CD2 3.98Å; W393-F409 HydrophobicContact CE3-CD2 3.98Å; W393-F409 AromaticContact CE3-CE2 3.74Å; W393-F409 HydrophobicContact CE3-CE2 3.74Å; W393-F409 HydrophobicContact CG-CD2 4.18Å; W393-F409 HydrophobicContact CZ3-CE2 4.24Å; V402-F409 HydrophobicContact CG1-CD2 3.99Å; V402-F409 HydrophobicContact CG1-CE2 4.43Å; A406-F409 HydrophobicContact CB-CD1 3.76Å; A406-F409 HydrophobicContact CB-CD2 3.69Å; A406-F409 HydrophobicContact CB-CE1 3.72Å; A406-F409 HydrophobicContact CB-CE2 3.66Å; A406-F409 HydrophobicContact CB-CG 3.74Å; A406-F409 HydrophobicContact CB-CZ 3.64Å; A406-F409 PolarHBondContact O-N 2.83Å; A406-F409 VanDerWaalsContact O-N 3.11Å; F409-Q411 PolarHBondContact O-N 3.1Å; F409-Q411 VanDerWaalsContact O-N 3.16Å; F409-Q411 PolarHBondContact O-NE2 2.89Å
410	I	96.3	Very high	95.1	Very high	50 Å²	50	57.2 Å²	57.2	26%	0.256	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	109.1	169.6	-55.4	174.3	0	0	0	107.5	S389 V391 M392 W393 T412	S389-I410 VanDerWaalsContact O-CD1 3.28Å; S389-I410 WeakPolarHBondContact O-CD1 3.1Å; V391-I410 PolarHBondContact O-N 3.07Å; M392-I410 WeakPolarHBondContact CA-O 3.32Å; M392-I410 HydrophobicContact CE-CD1 4.08Å; M392-I410 HydrophobicContact CE-CG2 4.39Å; M392-I410 HydrophobicContact CG-CB 3.91Å; M392-I410 HydrophobicContact CG-CD1 3.98Å; M392-I410 HydrophobicContact CG-CG2 4.02Å; W393-I410 PolarHBondContact N-O 3.21Å; I410-T412 PolarHBondContact O-N 3.47Å
411	Q	96.6	Very high	95.2	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	109.4	178.7	-58.2	-60.2	-52.7	0	0	109.6	R399 K403 F409 G426 R428 G429	R399-Q411 VanDerWaalsContact CG-OE1 3.23Å; K403-Q411 HydrophobicContact CG-CG 4.27Å; F409-Q411 PolarHBondContact O-N 3.1Å; F409-Q411 VanDerWaalsContact O-N 3.16Å; F409-Q411 PolarHBondContact O-NE2 2.89Å; Q411-G426 WeakPolarHBondContact CB-O 3.49Å; Q411-R428 PolarHBondContact O-N 3.42Å; Q411-G429 PolarHBondContact O-N 2.77Å
412	T	96.8	Very high	95.4	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.2	179.6	-60.2	0	0	0	0	109.1	W393 T394 R399 I410 G429 L431	W393-T412 PolarHBondContact O-N 3.29Å; T394-T412 CarbonylContact C-O 3.47Å; T394-T412 WeakPolarHBondContact CA-O 3.35Å; T394-T412 HydrophobicContact CG2-CG2 4.48Å; R399-T412 PolarHBondContact NH1-O 3.18Å; R399-T412 PolarHBondContact NH2-O 3.35Å; I410-T412 PolarHBondContact O-N 3.47Å; T412-G429 CarbonylContact C-O 3.53Å; T412-G429 VanDerWaalsContact CA-O 3.26Å; T412-G429 WeakPolarHBondContact CA-O 3.46Å; T412-L431 HydrophobicContact CG2-CB 3.9Å
413	S	96.4	Very high	95.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.4	174.3	175.6	0	0	0	0	111.4	D396 V415 G429 L430 L431	D396-S413 PolarHBondContact OD1-OG 2.81Å; D396-S413 PolarHBondContact OD2-OG 3.23Å; S413-V415 VanDerWaalsContact C-N 3.34Å; S413-V415 PolarHBondContact OG-N 2.82Å; S413-V415 PolarHBondContact OG-O 3.34Å; S413-G429 PolarHBondContact N-O 3.36Å; S413-L430 WeakPolarHBondContact O-CA 3.47Å; S413-L431 PolarHBondContact O-N 3.24Å
414	L	95.9	Very high	95.3	Very high	62 Å²	62	61.8 Å²	61.8	33%	0.325	32%	0.317	S	S	.	.	S	Bend	trans	-89.6	-4.7	170.7	-58	177.8	0	0	0	112.2	T394 L431 L432	T394-L414 HydrophobicContact CG2-CD2 4.36Å; L414-L431 HydrophobicContact CD2-CB 3.86Å; L414-L431 HydrophobicContact CD2-CD2 3.76Å; L414-L431 HydrophobicContact CD2-CG 3.92Å; L414-L431 WeakPolarHBondContact CD2-O 3.36Å; L414-L432 WeakPolarHBondContact O-CD2 3.4Å
415	V	95.4	Very high	95.2	Very high	72 Å²	72	56.1 Å²	56.1	44%	0.436	29%	0.294	S	S	.	.	S	Bend	trans	-108.7	124.5	-176.8	-172.3	0	0	0	0	109.4	S413 H417	S413-V415 VanDerWaalsContact C-N 3.34Å; S413-V415 PolarHBondContact OG-N 2.82Å; S413-V415 PolarHBondContact OG-O 3.34Å; V415-H417 VanDerWaalsContact CG1-NE2 3.32Å; V415-H417 WeakPolarHBondContact CG1-NE2 3.46Å; V415-H417 PolarHBondContact O-CD2 2.91Å; V415-H417 PolarHBondContact O-N 3.26Å
416	K	96.3	Very high	95.2	Very high	76 Å²	76	51.1 Å²	51.1	33%	0.33	29%	0.285	S	S	.	.			trans	-69.8	118.8	177.1	-174.4	-179.9	177.1	-178.3	0	110.3	L432 Q436 V437 E441 F445	K416-L432 HydrophobicContact CB-CD1 3.95Å; K416-L432 HydrophobicContact CB-CD2 4.24Å; K416-L432 HydrophobicContact CD-CD1 4.42Å; K416-L432 HydrophobicContact CG-CD1 4.11Å; K416-Q436 WeakPolarHBondContact CD-O 3.27Å; K416-Q436 PolarHBondContact NZ-O 3.44Å; K416-V437 HydrophobicContact CD-CG1 4.3Å; K416-E441 WeakPolarHBondContact CE-OE1 3.45Å; K416-E441 IonicContact NZ-OE1 3.91Å; K416-E441 PolarHBondContact NZ-OE1 3.41Å; K416-E441 IonicContact NZ-OE2 3.62Å; K416-E441 PolarHBondContact NZ-OE2 3.47Å; K416-F445 HydrophobicContact CG-CZ 4.45Å
417	H	95.5	Very high	95.2	Very high	71 Å²	71	51.3 Å²	51.3	33%	0.329	29%	0.286	S	S	.	.			trans	-129.8	169.6	172.9	-68.2	-68.7	0	0	0	111.3	V415 H421 L422 F445	V415-H417 VanDerWaalsContact CG1-NE2 3.32Å; V415-H417 WeakPolarHBondContact CG1-NE2 3.46Å; V415-H417 PolarHBondContact O-CD2 2.91Å; V415-H417 PolarHBondContact O-N 3.26Å; H417-H421 HydrophobicContact CB-CB 4.19Å; H417-H421 AromaticContact CD2-CD2 3.86Å; H417-H421 AromaticContact CG-CD2 3.5Å; H417-H421 AromaticContact ND1-CD2 3.95Å; H417-L422 HydrophobicContact CB-CD2 3.9Å; H417-L422 HydrophobicContact CB-CG 4.03Å; H417-F445 WeakPolarHBondContact O-CE1 3.18Å
418	S	96.1	Very high	95.2	Very high	57 Å²	57	55.5 Å²	55.5	40%	0.399	29%	0.289	S	S	.	.			trans	-65.9	151	175.8	89.9	0	0	0	0	111.1	E420 H421 L422	S418-E420 VanDerWaalsContact CB-OE2 3.22Å; S418-E420 WeakPolarHBondContact CB-OE2 3.35Å; S418-E420 PolarHBondContact O-N 3.1Å; S418-E420 PolarHBondContact OG-OE2 3Å; S418-H421 PolarHBondContact O-N 2.81Å; S418-H421 VanDerWaalsContact O-N 3.1Å; S418-H421 PolarHBondContact OG-N 2.99Å; S418-L422 WeakPolarHBondContact O-CG 3.36Å; S418-L422 PolarHBondContact O-N 3.05Å
419	P	96.2	Very high	95.3	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.045	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-35.9	177.5	-26	34.4	0	0	0	113.6	R423 F445 N448	P419-R423 WeakPolarHBondContact O-CB 3.38Å; P419-R423 VanDerWaalsContact O-CG 3.28Å; P419-R423 WeakPolarHBondContact O-CG 3.34Å; P419-R423 PolarHBondContact O-N 3.39Å; P419-F445 HydrophobicContact CG-CD1 4Å; P419-F445 HydrophobicContact CG-CE1 3.99Å; P419-N448 HydrophobicContact CB-CB 3.73Å; P419-N448 HydrophobicContact CG-CB 4.45Å
420	E	95.5	Very high	95.3	Very high	120 Å²	120	53.7 Å²	53.7	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-65.7	-45.9	178.2	-56.3	71.9	-152.2	0	0	111.2	S418 R423 S424	S418-E420 VanDerWaalsContact CB-OE2 3.22Å; S418-E420 WeakPolarHBondContact CB-OE2 3.35Å; S418-E420 PolarHBondContact O-N 3.1Å; S418-E420 PolarHBondContact OG-OE2 3Å; E420-R423 PolarHBondContact O-N 2.65Å; E420-S424 WeakPolarHBondContact O-CB 3.49Å; E420-S424 PolarHBondContact O-N 2.9Å; E420-S424 PolarHBondContact O-OG 3.03Å
421	H	95.1	Very high	95.4	Very high	80 Å²	80	51.5 Å²	51.5	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-50	177.1	179.6	78.2	0	0	0	110.5	H417 S418 R423 S424 S425	H417-H421 HydrophobicContact CB-CB 4.19Å; H417-H421 AromaticContact CD2-CD2 3.86Å; H417-H421 AromaticContact CG-CD2 3.5Å; H417-H421 AromaticContact ND1-CD2 3.95Å; S418-H421 PolarHBondContact O-N 2.81Å; S418-H421 VanDerWaalsContact O-N 3.1Å; S418-H421 PolarHBondContact OG-N 2.99Å; H421-R423 VanDerWaalsContact C-N 3.31Å; H421-R423 PolarHBondContact O-N 3.29Å; H421-S424 PolarHBondContact O-N 2.81Å; H421-S424 VanDerWaalsContact O-N 3.15Å; H421-S424 PolarHBondContact O-OG 3.47Å; H421-S425 PolarHBondContact NE2-OG 3.26Å; H421-S425 WeakPolarHBondContact O-CB 3.41Å; H421-S425 PolarHBondContact O-N 2.92Å; H421-S425 PolarHBondContact O-OG 2.64Å
422	L	95.6	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-45.9	179.9	-65.4	170.6	0	0	0	111.6	H417 S418 S425 G426 I427 L430 F445 I450	H417-L422 HydrophobicContact CB-CD2 3.9Å; H417-L422 HydrophobicContact CB-CG 4.03Å; S418-L422 WeakPolarHBondContact O-CG 3.36Å; S418-L422 PolarHBondContact O-N 3.05Å; L422-S425 CarbonylContact O-C 3.47Å; L422-S425 PolarHBondContact O-N 3.2Å; L422-G426 PolarHBondContact O-N 2.88Å; L422-G426 VanDerWaalsContact O-N 3.13Å; L422-I427 CarbonylContact C-O 3.51Å; L422-I427 HydrophobicContact CB-CB 4.26Å; L422-I427 HydrophobicContact CD2-CB 4.06Å; L422-I427 HydrophobicContact CD2-CD1 3.97Å; L422-I427 HydrophobicContact CD2-CG2 3.84Å; L422-I427 PolarHBondContact O-N 3.39Å; L422-L430 HydrophobicContact CD1-CD1 3.72Å; L422-L430 HydrophobicContact CD1-CD2 3.98Å; L422-L430 HydrophobicContact CD1-CG 3.9Å; L422-L430 HydrophobicContact CD2-CD2 3.94Å; L422-F445 HydrophobicContact CD1-CD1 4.26Å; L422-F445 HydrophobicContact CD1-CE1 3.81Å; L422-I450 HydrophobicContact CB-CD1 4.1Å; L422-I450 HydrophobicContact CD1-CG1 4.45Å; L422-I450 HydrophobicContact CD1-CG2 4.11Å
423	R	93.1	Very high	95.4	Very high	163 Å²	163	51.4 Å²	51.4	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-44.8	177.1	-74	179.1	62.8	-177.2	-1.1	112.7	P419 E420 H421 S425 G426 I450	P419-R423 WeakPolarHBondContact O-CB 3.38Å; P419-R423 VanDerWaalsContact O-CG 3.28Å; P419-R423 WeakPolarHBondContact O-CG 3.34Å; P419-R423 PolarHBondContact O-N 3.39Å; E420-R423 PolarHBondContact O-N 2.65Å; H421-R423 VanDerWaalsContact C-N 3.31Å; H421-R423 PolarHBondContact O-N 3.29Å; R423-S425 PolarHBondContact O-N 3.46Å; R423-G426 PolarHBondContact O-N 3.48Å; R423-I450 HydrophobicContact CG-CD1 4.16Å
424	S	93.1	Very high	95.4	Very high	97 Å²	97	51.5 Å²	51.5	68%	0.678	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-34.7	177.6	70.4	0	0	0	0	112.1	E420 H421 G426	E420-S424 WeakPolarHBondContact O-CB 3.49Å; E420-S424 PolarHBondContact O-N 2.9Å; E420-S424 PolarHBondContact O-OG 3.03Å; H421-S424 PolarHBondContact O-N 2.81Å; H421-S424 VanDerWaalsContact O-N 3.15Å; H421-S424 PolarHBondContact O-OG 3.47Å; S424-G426 PolarHBondContact O-N 2.95Å
425	S	91.3	Very high	95.4	Very high	30 Å²	30	49.7 Å²	49.7	21%	0.21	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9.2	176	-58.9	0	0	0	0	112.7	K403 H421 L422 R423 I427	K403-S425 WeakPolarHBondContact CE-O 3.46Å; K403-S425 PolarHBondContact NZ-O 3.34Å; H421-S425 PolarHBondContact NE2-OG 3.26Å; H421-S425 WeakPolarHBondContact O-CB 3.41Å; H421-S425 PolarHBondContact O-N 2.92Å; H421-S425 PolarHBondContact O-OG 2.64Å; L422-S425 CarbonylContact O-C 3.47Å; L422-S425 PolarHBondContact O-N 3.2Å; R423-S425 PolarHBondContact O-N 3.46Å; S425-I427 PolarHBondContact O-N 3.12Å; S425-I427 VanDerWaalsContact O-N 3.13Å
426	G	92.3	Very high	95.4	Very high	32 Å²	32	50.1 Å²	50.1	33%	0.33	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	16.8	178.7	0	0	0	0	0	115.1	Q411 L422 R423 S424	Q411-G426 WeakPolarHBondContact CB-O 3.49Å; L422-G426 PolarHBondContact O-N 2.88Å; L422-G426 VanDerWaalsContact O-N 3.13Å; R423-G426 PolarHBondContact O-N 3.48Å; S424-G426 PolarHBondContact O-N 2.95Å
427	I	95.6	Very high	95.3	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.237	C	C	.	.			trans	-84.1	129.6	177.3	-62.4	161.6	0	0	0	108.1	L422 S425 G429 I450	L422-I427 CarbonylContact C-O 3.51Å; L422-I427 HydrophobicContact CB-CB 4.26Å; L422-I427 HydrophobicContact CD2-CB 4.06Å; L422-I427 HydrophobicContact CD2-CD1 3.97Å; L422-I427 HydrophobicContact CD2-CG2 3.84Å; L422-I427 PolarHBondContact O-N 3.39Å; S425-I427 PolarHBondContact O-N 3.12Å; S425-I427 VanDerWaalsContact O-N 3.13Å; I427-G429 WeakPolarHBondContact CG2-O 3.33Å; I427-I450 WeakPolarHBondContact O-CD1 3.22Å
428	R	94.6	Very high	95.2	Very high	187 Å²	187	47.5 Å²	47.5	71%	0.706	24%	0.241	S	C	*	.			trans	-115.2	-10.7	-179.1	-64.9	-173.3	177.7	-175.7	0.3	113.1	Q411 I450 S451	Q411-R428 PolarHBondContact O-N 3.42Å; R428-I450 WeakPolarHBondContact O-CA 3.39Å; R428-S451 PolarHBondContact O-N 3.06Å
429	G	96.1	Very high	95.1	Very high	4 Å²	4	46 Å²	46	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.6	-179.2	0	0	0	0	0	112.8	Q411 T412 S413 I427 S451	Q411-G429 PolarHBondContact O-N 2.77Å; T412-G429 CarbonylContact C-O 3.53Å; T412-G429 VanDerWaalsContact CA-O 3.26Å; T412-G429 WeakPolarHBondContact CA-O 3.46Å; S413-G429 PolarHBondContact N-O 3.36Å; I427-G429 WeakPolarHBondContact CG2-O 3.33Å; G429-S451 CarbonylContact C-O 3.55Å; G429-S451 VanDerWaalsContact CA-O 3.25Å; G429-S451 WeakPolarHBondContact CA-O 3.42Å
430	L	97.8	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.9	165.3	-75	175.5	0	0	0	109.1	S413 L422 L432 F445 I450 S451 L452 T453	S413-L430 WeakPolarHBondContact O-CA 3.47Å; L422-L430 HydrophobicContact CD1-CD1 3.72Å; L422-L430 HydrophobicContact CD1-CD2 3.98Å; L422-L430 HydrophobicContact CD1-CG 3.9Å; L422-L430 HydrophobicContact CD2-CD2 3.94Å; L430-L432 HydrophobicContact CB-CD1 4.32Å; L430-L432 HydrophobicContact CB-CG 4.23Å; L430-L432 HydrophobicContact CD1-CD1 4.11Å; L430-F445 HydrophobicContact CD1-CD1 3.87Å; L430-F445 HydrophobicContact CD1-CD2 4.3Å; L430-F445 HydrophobicContact CD1-CE1 3.58Å; L430-F445 HydrophobicContact CD1-CE2 4.04Å; L430-F445 HydrophobicContact CD1-CG 4.23Å; L430-F445 HydrophobicContact CD1-CZ 3.68Å; L430-I450 HydrophobicContact CD1-CG2 4.19Å; L430-I450 HydrophobicContact CG-CG2 4.07Å; L430-S451 PolarHBondContact N-O 2.87Å; L430-L452 HydrophobicContact CB-CD1 3.61Å; L430-L452 HydrophobicContact CD1-CD1 4.27Å; L430-T453 PolarHBondContact O-N 3.2Å
431	L	97.9	Very high	95	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	104.6	168.8	173.6	68.5	0	0	0	107.8	V357 R359 T394 T412 S413 L414 T453 Y455	V357-L431 HydrophobicContact CG1-CD2 3.95Å; R359-L431 HydrophobicContact CG-CD2 4.31Å; T394-L431 HydrophobicContact CG2-CD2 4.34Å; T412-L431 HydrophobicContact CG2-CB 3.9Å; S413-L431 PolarHBondContact O-N 3.24Å; L414-L431 HydrophobicContact CD2-CB 3.86Å; L414-L431 HydrophobicContact CD2-CD2 3.76Å; L414-L431 HydrophobicContact CD2-CG 3.92Å; L414-L431 WeakPolarHBondContact CD2-O 3.36Å; L431-T453 WeakPolarHBondContact CA-O 3.35Å; L431-T453 HydrophobicContact CD1-CG2 3.58Å; L431-Y455 HydrophobicContact CD1-CD1 3.59Å; L431-Y455 HydrophobicContact CD1-CE1 4.29Å; L431-Y455 HydrophobicContact CD1-CG 4.45Å; L431-Y455 HydrophobicContact CG-CD1 3.79Å; L431-Y455 HydrophobicContact CG-CE1 3.97Å
432	L	97.7	Very high	95	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.1	-170.4	-63.6	-180	0	0	0	111.4	L414 K416 L430 Q436 V437 L452 T453 L454 Y455	L414-L432 WeakPolarHBondContact O-CD2 3.4Å; K416-L432 HydrophobicContact CB-CD1 3.95Å; K416-L432 HydrophobicContact CB-CD2 4.24Å; K416-L432 HydrophobicContact CD-CD1 4.42Å; K416-L432 HydrophobicContact CG-CD1 4.11Å; L430-L432 HydrophobicContact CB-CD1 4.32Å; L430-L432 HydrophobicContact CB-CG 4.23Å; L430-L432 HydrophobicContact CD1-CD1 4.11Å; L432-Q436 HydrophobicContact CB-CB 4.43Å; L432-V437 HydrophobicContact CD1-CG1 3.83Å; L432-L452 HydrophobicContact CD1-CD1 4.16Å; L432-L452 HydrophobicContact CG-CD1 4.44Å; L432-T453 PolarHBondContact N-O 3.38Å; L432-L454 HydrophobicContact CB-CD2 4.05Å; L432-L454 CarbonylContact O-C 3.57Å; L432-L454 VanDerWaalsContact O-CA 3.31Å; L432-L454 WeakPolarHBondContact O-CA 3.43Å; L432-Y455 VanDerWaalsContact C-CD1 3.48Å; L432-Y455 WeakPolarHBondContact O-CD1 3.06Å; L432-Y455 PolarHBondContact O-N 3.09Å
433	R	96.6	Very high	94.9	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.6	169.9	-165.2	178.2	-171.7	-99.2	-2	109.4	D68 E71 E149 N435 Q436 Y455	D68-R433 IonicContact OD1-NH2 3.5Å; D68-R433 IonicContact OD2-NH2 3.98Å; D68-R433 PolarHBondContact OD2-NH2 2.94Å; E71-R433 IonicContact OE1-NE 2.69Å; E71-R433 IonicContact OE2-CZ 3.52Å; E71-R433 IonicContact OE2-NE 3.53Å; E71-R433 PolarHBondContact OE2-NE 3.15Å; E71-R433 IonicContact OE2-NH2 3.29Å; E71-R433 PolarHBondContact OE2-NH2 3.48Å; E149-R433 IonicContact OE1-CZ 3.93Å; E149-R433 IonicContact OE1-NH1 3.7Å; E149-R433 IonicContact OE1-NH2 2.7Å; E149-R433 PolarHBondContact OE1-NH2 3.21Å; E149-R433 IonicContact OE2-CZ 2.73Å; E149-R433 IonicContact OE2-NH1 3.37Å; E149-R433 PolarHBondContact OE2-NH1 3.41Å; E149-R433 IonicContact OE2-NH2 3.25Å; E149-R433 PolarHBondContact OE2-NH2 3.48Å; R433-N435 WeakPolarHBondContact CB-OD1 3.36Å; R433-N435 VanDerWaalsContact CD-OD1 3.27Å; R433-N435 WeakPolarHBondContact CD-OD1 3.27Å; R433-N435 VanDerWaalsContact CG-OD1 3.27Å; R433-N435 WeakPolarHBondContact CG-OD1 3.46Å; R433-N435 VanDerWaalsContact NH1-CG 3.27Å; R433-N435 PolarHBondContact NH1-ND2 3.5Å; R433-N435 PolarHBondContact NH1-OD1 3.33Å; R433-N435 PolarHBondContact O-N 2.9Å; R433-N435 VanDerWaalsContact O-N 3.09Å; R433-Q436 HydrophobicContact CB-CG 4.06Å; R433-Q436 VanDerWaalsContact N-OE1 3.13Å; R433-Q436 WeakPolarHBondContact O-CB 3.35Å; R433-Q436 PolarHBondContact O-N 2.91Å; R433-Y455 CarbonylContact C-O 3.49Å; R433-Y455 WeakPolarHBondContact CA-O 3.02Å; R433-Y455 WeakPolarHBondContact CG-O 3.37Å
434	Y	96.1	Very high	95.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.6	-174	70.3	-97.6	0	0	0	113.7	D68 E149 I152 I155 Q436 Y455 L462	D68-Y434 WeakPolarHBondContact OD2-CE1 3.27Å; D68-Y434 PolarHBondContact OD2-OH 2.75Å; E149-Y434 PolarHBondContact OE2-OH 2.95Å; I152-Y434 HydrophobicContact CD1-CE2 3.66Å; I155-Y434 HydrophobicContact CD1-CD2 3.94Å; I155-Y434 HydrophobicContact CD1-CE2 3.92Å; Y434-Q436 VanDerWaalsContact C-N 3.34Å; Y434-Y455 PolarHBondContact N-O 3.32Å; Y434-L462 HydrophobicContact CD1-CD2 4.2Å; Y434-L462 HydrophobicContact CD2-CD1 4.33Å; Y434-L462 HydrophobicContact CD2-CD2 4.15Å; Y434-L462 HydrophobicContact CE1-CD2 4.47Å; Y434-L462 HydrophobicContact CE2-CD2 4.45Å; Y434-L462 HydrophobicContact CG-CD2 4.06Å
435	N	94.6	Very high	95.2	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.134	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-83.6	-2.8	179.4	70.1	-27.5	0	0	0	114.2	Q148 D151 I155 R433 V437	Q148-N435 PolarHBondContact O-ND2 2.96Å; D151-N435 HydrophobicContact CB-CB 3.8Å; D151-N435 PolarHBondContact OD2-ND2 2.85Å; I155-N435 HydrophobicContact CD1-CB 4.15Å; R433-N435 WeakPolarHBondContact CB-OD1 3.36Å; R433-N435 VanDerWaalsContact CD-OD1 3.27Å; R433-N435 WeakPolarHBondContact CD-OD1 3.27Å; R433-N435 VanDerWaalsContact CG-OD1 3.27Å; R433-N435 WeakPolarHBondContact CG-OD1 3.46Å; R433-N435 VanDerWaalsContact NH1-CG 3.27Å; R433-N435 PolarHBondContact NH1-ND2 3.5Å; R433-N435 PolarHBondContact NH1-OD1 3.33Å; R433-N435 PolarHBondContact O-N 2.9Å; R433-N435 VanDerWaalsContact O-N 3.09Å; N435-V437 VanDerWaalsContact C-N 3.33Å
436	Q	95.9	Very high	95.3	Very high	80 Å²	80	40.4 Å²	40.4	37%	0.374	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-85.1	-7	-178.9	-67.6	178.3	-20.2	0	0	113.6	K416 L432 R433 Y434	K416-Q436 WeakPolarHBondContact CD-O 3.27Å; K416-Q436 PolarHBondContact NZ-O 3.44Å; L432-Q436 HydrophobicContact CB-CB 4.43Å; R433-Q436 HydrophobicContact CB-CG 4.06Å; R433-Q436 VanDerWaalsContact N-OE1 3.13Å; R433-Q436 WeakPolarHBondContact O-CB 3.35Å; R433-Q436 PolarHBondContact O-N 2.91Å; Y434-Q436 VanDerWaalsContact C-N 3.34Å
437	V	95.1	Very high	95.3	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	23%	0.228	C	C	.	.			trans	-139.1	143.7	-176.8	-69.7	0	0	0	0	111.2	K416 L432 N435 E441 I442 F445 L452 L454	K416-V437 HydrophobicContact CD-CG1 4.3Å; L432-V437 HydrophobicContact CD1-CG1 3.83Å; N435-V437 VanDerWaalsContact C-N 3.33Å; V437-E441 WeakPolarHBondContact CA-OE2 3.47Å; V437-E441 HydrophobicContact CB-CB 4.44Å; V437-I442 HydrophobicContact CB-CG1 4.39Å; V437-I442 HydrophobicContact CG2-CD1 4.35Å; V437-I442 HydrophobicContact CG2-CG1 4.03Å; V437-F445 HydrophobicContact CG1-CE2 4.22Å; V437-L452 HydrophobicContact CG2-CD2 4.22Å; V437-L454 HydrophobicContact CG2-CD1 3.8Å; V437-L454 HydrophobicContact CG2-CD2 3.59Å; V437-L454 HydrophobicContact CG2-CG 4.35Å
438	D	93.8	Very high	95.3	Very high	79 Å²	79	45.8 Å²	45.8	42%	0.422	24%	0.236	S	C	.	.			trans	-97.9	173	170.5	72.7	40.7	0	0	0	112.8	N440 E441 I442	D438-N440 VanDerWaalsContact C-N 3.28Å; D438-N440 PolarHBondContact O-N 2.69Å; D438-N440 WeakPolarHBondContact OD1-CA 3.31Å; D438-N440 WeakPolarHBondContact OD1-CB 3.46Å; D438-N440 PolarHBondContact OD1-N 3.01Å; D438-E441 PolarHBondContact N-OE2 2.93Å; D438-E441 PolarHBondContact O-N 3.39Å; D438-E441 PolarHBondContact OD1-N 2.89Å; D438-I442 VanDerWaalsContact O-CG1 3.27Å; D438-I442 WeakPolarHBondContact O-CG1 3.17Å; D438-I442 PolarHBondContact O-N 2.88Å
439	A	92.8	Very high	95.3	Very high	27 Å²	27	43.8 Å²	43.8	22%	0.223	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-31.7	-178.4	0	0	0	0	0	114.1	P216 T443	P216-A439 HydrophobicContact CG-CB 3.9Å; A439-T443 PolarHBondContact O-N 3.32Å; A439-T443 PolarHBondContact O-OG1 3.05Å
440	N	93.2	Very high	95.3	Very high	131 Å²	131	43.8 Å²	43.8	70%	0.701	24%	0.238	S	C	*	.	H	α-helix	trans	-73.1	-40.9	177.5	-68.6	-29.1	0	0	0	110.4	D438 T443 N444	D438-N440 VanDerWaalsContact C-N 3.28Å; D438-N440 PolarHBondContact O-N 2.69Å; D438-N440 WeakPolarHBondContact OD1-CA 3.31Å; D438-N440 WeakPolarHBondContact OD1-CB 3.46Å; D438-N440 PolarHBondContact OD1-N 3.01Å; N440-T443 PolarHBondContact O-N 2.95Å; N440-N444 WeakPolarHBondContact O-CB 3.48Å; N440-N444 PolarHBondContact O-N 2.84Å
441	E	96.1	Very high	95.2	Very high	58 Å²	58	45.9 Å²	45.9	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-42	175.5	-67.5	-174.8	115.6	0	0	112	K416 V437 D438 T443 N444 F445	K416-E441 WeakPolarHBondContact CE-OE1 3.45Å; K416-E441 IonicContact NZ-OE1 3.91Å; K416-E441 PolarHBondContact NZ-OE1 3.41Å; K416-E441 IonicContact NZ-OE2 3.62Å; K416-E441 PolarHBondContact NZ-OE2 3.47Å; V437-E441 WeakPolarHBondContact CA-OE2 3.47Å; V437-E441 HydrophobicContact CB-CB 4.44Å; D438-E441 PolarHBondContact N-OE2 2.93Å; D438-E441 PolarHBondContact O-N 3.39Å; D438-E441 PolarHBondContact OD1-N 2.89Å; E441-T443 VanDerWaalsContact C-N 3.28Å; E441-T443 PolarHBondContact O-N 3.15Å; E441-N444 WeakPolarHBondContact O-CB 3.35Å; E441-N444 PolarHBondContact O-N 3.3Å; E441-N444 VanDerWaalsContact O-N 3.1Å; E441-F445 HydrophobicContact CB-CE2 4.32Å; E441-F445 WeakPolarHBondContact O-CD2 3.43Å; E441-F445 PolarHBondContact O-N 2.94Å
442	I	96.5	Very high	95.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-48.5	173.2	-67.5	167.3	0	0	0	110	V437 D438 N444 F445 S446 L452 L454 L466 S469 V471	V437-I442 HydrophobicContact CB-CG1 4.39Å; V437-I442 HydrophobicContact CG2-CD1 4.35Å; V437-I442 HydrophobicContact CG2-CG1 4.03Å; D438-I442 VanDerWaalsContact O-CG1 3.27Å; D438-I442 WeakPolarHBondContact O-CG1 3.17Å; D438-I442 PolarHBondContact O-N 2.88Å; I442-N444 VanDerWaalsContact C-N 3.33Å; I442-N444 PolarHBondContact O-N 3.07Å; I442-F445 PolarHBondContact O-N 3.08Å; I442-S446 WeakPolarHBondContact O-CB 3.47Å; I442-S446 PolarHBondContact O-N 2.84Å; I442-L452 HydrophobicContact CB-CD2 4.26Å; I442-L452 HydrophobicContact CG1-CD2 3.7Å; I442-L452 HydrophobicContact CG2-CD2 4.33Å; I442-L454 HydrophobicContact CD1-CD1 4.15Å; I442-L466 HydrophobicContact CD1-CD2 4.13Å; I442-S469 VanDerWaalsContact CG2-O 3.31Å; I442-S469 WeakPolarHBondContact CG2-O 3.39Å; I442-V471 HydrophobicContact CG2-CB 4.22Å
443	T	93.2	Very high	95.3	Very high	63 Å²	63	46 Å²	46	39%	0.387	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.6	-60.3	0	0	0	0	111.7	A439 N440 E441 S446 N447	A439-T443 PolarHBondContact O-N 3.32Å; A439-T443 PolarHBondContact O-OG1 3.05Å; N440-T443 PolarHBondContact O-N 2.95Å; E441-T443 VanDerWaalsContact C-N 3.28Å; E441-T443 PolarHBondContact O-N 3.15Å; T443-S446 PolarHBondContact O-N 3.12Å; T443-N447 WeakPolarHBondContact O-CB 3.35Å; T443-N447 PolarHBondContact O-N 3.15Å; T443-N447 PolarHBondContact O-ND2 3.18Å
444	N	95.9	Very high	95.4	Very high	75 Å²	75	45.5 Å²	45.5	40%	0.401	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-45.4	178.6	-172.3	25	0	0	0	112.2	N440 E441 I442 N447 N448	N440-N444 WeakPolarHBondContact O-CB 3.48Å; N440-N444 PolarHBondContact O-N 2.84Å; E441-N444 WeakPolarHBondContact O-CB 3.35Å; E441-N444 PolarHBondContact O-N 3.3Å; E441-N444 VanDerWaalsContact O-N 3.1Å; I442-N444 VanDerWaalsContact C-N 3.33Å; I442-N444 PolarHBondContact O-N 3.07Å; N444-N447 PolarHBondContact O-N 3.22Å; N444-N448 PolarHBondContact O-N 3.31Å; N444-N448 PolarHBondContact O-ND2 3.2Å; N444-N448 PolarHBondContact OD1-ND2 3.21Å; N444-N448 VanDerWaalsContact OD1-ND2 3.11Å
445	F	96.8	Very high	95.4	Very high	6 Å²	6	48 Å²	48	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-45.3	175.5	-73	-59.6	0	0	0	111.5	K416 H417 P419 L422 L430 V437 E441 I442 N447 N448 N449 I450 L452	K416-F445 HydrophobicContact CG-CZ 4.45Å; H417-F445 WeakPolarHBondContact O-CE1 3.18Å; P419-F445 HydrophobicContact CG-CD1 4Å; P419-F445 HydrophobicContact CG-CE1 3.99Å; L422-F445 HydrophobicContact CD1-CD1 4.26Å; L422-F445 HydrophobicContact CD1-CE1 3.81Å; L430-F445 HydrophobicContact CD1-CD1 3.87Å; L430-F445 HydrophobicContact CD1-CD2 4.3Å; L430-F445 HydrophobicContact CD1-CE1 3.58Å; L430-F445 HydrophobicContact CD1-CE2 4.04Å; L430-F445 HydrophobicContact CD1-CG 4.23Å; L430-F445 HydrophobicContact CD1-CZ 3.68Å; V437-F445 HydrophobicContact CG1-CE2 4.22Å; E441-F445 HydrophobicContact CB-CE2 4.32Å; E441-F445 WeakPolarHBondContact O-CD2 3.43Å; E441-F445 PolarHBondContact O-N 2.94Å; I442-F445 PolarHBondContact O-N 3.08Å; F445-N447 PolarHBondContact O-N 2.77Å; F445-N448 CarbonylContact O-C 3.59Å; F445-N448 PolarHBondContact O-N 3.01Å; F445-N448 VanDerWaalsContact O-N 3.07Å; F445-N449 PolarHBondContact O-N 2.85Å; F445-I450 CarbonylContact C-O 3.35Å; F445-I450 HydrophobicContact CB-CB 4.2Å; F445-I450 HydrophobicContact CB-CG2 4.47Å; F445-I450 HydrophobicContact CD1-CB 4.22Å; F445-I450 HydrophobicContact CD1-CG2 4.13Å; F445-I450 PolarHBondContact O-N 3.48Å; F445-L452 HydrophobicContact CD2-CD2 4.44Å
446	S	92.4	Very high	95.4	Very high	42 Å²	42	47.5 Å²	47.5	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-58	-46.8	177	-176	0	0	0	0	112.1	I442 T443 N448 N449	I442-S446 WeakPolarHBondContact O-CB 3.47Å; I442-S446 PolarHBondContact O-N 2.84Å; T443-S446 PolarHBondContact O-N 3.12Å; S446-N448 PolarHBondContact O-N 3.16Å; S446-N449 PolarHBondContact O-N 3.36Å
447	N	93.4	Very high	95.5	Very high	113 Å²	113	43.7 Å²	43.7	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-64.1	-22.2	178	-72.5	-19.9	0	0	0	113.4	T443 N444 F445	T443-N447 WeakPolarHBondContact O-CB 3.35Å; T443-N447 PolarHBondContact O-N 3.15Å; T443-N447 PolarHBondContact O-ND2 3.18Å; N444-N447 PolarHBondContact O-N 3.22Å; F445-N447 PolarHBondContact O-N 2.77Å
448	N	94.8	Very high	95.6	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.9	176.5	-78.4	-77.8	0	0	0	113.6	P419 N444 F445 S446 I450	P419-N448 HydrophobicContact CB-CB 3.73Å; P419-N448 HydrophobicContact CG-CB 4.45Å; N444-N448 PolarHBondContact O-N 3.31Å; N444-N448 PolarHBondContact O-ND2 3.2Å; N444-N448 PolarHBondContact OD1-ND2 3.21Å; N444-N448 VanDerWaalsContact OD1-ND2 3.11Å; F445-N448 CarbonylContact O-C 3.59Å; F445-N448 PolarHBondContact O-N 3.01Å; F445-N448 VanDerWaalsContact O-N 3.07Å; S446-N448 PolarHBondContact O-N 3.16Å; N448-I450 HydrophobicContact CB-CG1 4.45Å; N448-I450 PolarHBondContact O-N 3.28Å
449	N	94.6	Very high	95.7	Very high	145 Å²	145	41.9 Å²	41.9	78%	0.775	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	32.8	-177.3	-59.3	-39	0	0	0	113.4	F445 S446	F445-N449 PolarHBondContact O-N 2.85Å; S446-N449 PolarHBondContact O-N 3.36Å
450	I	96.7	Very high	95.9	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.229	C	C	.	.			trans	-98.8	117	169.5	-57.8	-60	0	0	0	107.6	L422 R423 I427 R428 L430 F445 N448	L422-I450 HydrophobicContact CB-CD1 4.1Å; L422-I450 HydrophobicContact CD1-CG1 4.45Å; L422-I450 HydrophobicContact CD1-CG2 4.11Å; R423-I450 HydrophobicContact CG-CD1 4.16Å; I427-I450 WeakPolarHBondContact O-CD1 3.22Å; R428-I450 WeakPolarHBondContact O-CA 3.39Å; L430-I450 HydrophobicContact CD1-CG2 4.19Å; L430-I450 HydrophobicContact CG-CG2 4.07Å; F445-I450 CarbonylContact C-O 3.35Å; F445-I450 HydrophobicContact CB-CB 4.2Å; F445-I450 HydrophobicContact CB-CG2 4.47Å; F445-I450 HydrophobicContact CD1-CB 4.22Å; F445-I450 HydrophobicContact CD1-CG2 4.13Å; F445-I450 PolarHBondContact O-N 3.48Å; N448-I450 HydrophobicContact CB-CG1 4.45Å; N448-I450 PolarHBondContact O-N 3.28Å
451	S	96.3	Very high	96	Very high	44 Å²	44	37.5 Å²	37.5	31%	0.308	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133	175	-176.1	0	0	0	0	109.6	R428 G429 L430 S472	R428-S451 PolarHBondContact O-N 3.06Å; G429-S451 CarbonylContact C-O 3.55Å; G429-S451 VanDerWaalsContact CA-O 3.25Å; G429-S451 WeakPolarHBondContact CA-O 3.42Å; L430-S451 PolarHBondContact N-O 2.87Å; S451-S472 WeakPolarHBondContact OG-CB 3.34Å
452	L	97.8	Very high	96	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122	179.9	-177	64.1	0	0	0	110.3	L430 L432 V437 I442 F445 L454 V471 S472 A473	L430-L452 HydrophobicContact CB-CD1 3.61Å; L430-L452 HydrophobicContact CD1-CD1 4.27Å; L432-L452 HydrophobicContact CD1-CD1 4.16Å; L432-L452 HydrophobicContact CG-CD1 4.44Å; V437-L452 HydrophobicContact CG2-CD2 4.22Å; I442-L452 HydrophobicContact CB-CD2 4.26Å; I442-L452 HydrophobicContact CG1-CD2 3.7Å; I442-L452 HydrophobicContact CG2-CD2 4.33Å; F445-L452 HydrophobicContact CD2-CD2 4.44Å; L452-L454 HydrophobicContact CD1-CD2 3.85Å; L452-L454 HydrophobicContact CD2-CD1 4.45Å; L452-L454 HydrophobicContact CD2-CD2 4.13Å; L452-L454 HydrophobicContact CD2-CG 4.36Å; L452-L454 HydrophobicContact CG-CD2 3.87Å; L452-L454 HydrophobicContact CG-CG 4.11Å; L452-V471 HydrophobicContact CB-CG2 4.47Å; L452-V471 HydrophobicContact CD2-CG2 4.38Å; L452-V471 HydrophobicContact CG-CG2 4.28Å; L452-V471 WeakPolarHBondContact O-CG2 3.41Å; L452-S472 PolarHBondContact N-OG 2.92Å; L452-S472 WeakPolarHBondContact O-CB 3.47Å; L452-S472 PolarHBondContact O-N 2.77Å; L452-A473 PolarHBondContact O-N 3.48Å
453	T	98.3	Very high	96.1	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122	172.5	-53.6	0	0	0	0	108.8	F231 L430 L431 L432 A473	F231-T453 HydrophobicContact CD2-CG2 4.41Å; L430-T453 PolarHBondContact O-N 3.2Å; L431-T453 WeakPolarHBondContact CA-O 3.35Å; L431-T453 HydrophobicContact CD1-CG2 3.58Å; L432-T453 PolarHBondContact N-O 3.38Å; T453-A473 WeakPolarHBondContact CA-O 3.43Å; T453-A473 HydrophobicContact CG2-CB 4.05Å
454	L	98.3	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135	-179.9	-61.8	179.9	0	0	0	112.1	L432 V437 I442 L452 L466 V471 A473 V474 S475	L432-L454 HydrophobicContact CB-CD2 4.05Å; L432-L454 CarbonylContact O-C 3.57Å; L432-L454 VanDerWaalsContact O-CA 3.31Å; L432-L454 WeakPolarHBondContact O-CA 3.43Å; V437-L454 HydrophobicContact CG2-CD1 3.8Å; V437-L454 HydrophobicContact CG2-CD2 3.59Å; V437-L454 HydrophobicContact CG2-CG 4.35Å; I442-L454 HydrophobicContact CD1-CD1 4.15Å; L452-L454 HydrophobicContact CD1-CD2 3.85Å; L452-L454 HydrophobicContact CD2-CD1 4.45Å; L452-L454 HydrophobicContact CD2-CD2 4.13Å; L452-L454 HydrophobicContact CD2-CG 4.36Å; L452-L454 HydrophobicContact CG-CD2 3.87Å; L452-L454 HydrophobicContact CG-CG 4.11Å; L454-L466 HydrophobicContact CB-CD1 4.32Å; L454-L466 HydrophobicContact CD1-CD1 4.06Å; L454-L466 HydrophobicContact CD1-CD2 3.69Å; L454-L466 HydrophobicContact CD1-CG 4.41Å; L454-V471 HydrophobicContact CD1-CG2 3.75Å; L454-V471 HydrophobicContact CG-CG2 3.82Å; L454-A473 PolarHBondContact N-O 2.78Å; L454-A473 VanDerWaalsContact N-O 3.11Å; L454-V474 CarbonylContact O-C 3.15Å; L454-V474 VanDerWaalsContact O-CA 3.27Å; L454-V474 WeakPolarHBondContact O-CA 3.37Å; L454-S475 PolarHBondContact O-N 3.09Å
455	Y	96.4	Very high	96.3	Very high	54 Å²	54	28.4 Å²	28.4	21%	0.212	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	162.8	178.8	74.8	-90.4	0	0	0	112.4	L431 L432 R433 Y434	L431-Y455 HydrophobicContact CD1-CD1 3.59Å; L431-Y455 HydrophobicContact CD1-CE1 4.29Å; L431-Y455 HydrophobicContact CD1-CG 4.45Å; L431-Y455 HydrophobicContact CG-CD1 3.79Å; L431-Y455 HydrophobicContact CG-CE1 3.97Å; L432-Y455 VanDerWaalsContact C-CD1 3.48Å; L432-Y455 WeakPolarHBondContact O-CD1 3.06Å; L432-Y455 PolarHBondContact O-N 3.09Å; R433-Y455 CarbonylContact C-O 3.49Å; R433-Y455 WeakPolarHBondContact CA-O 3.02Å; R433-Y455 WeakPolarHBondContact CG-O 3.37Å; Y434-Y455 PolarHBondContact N-O 3.32Å
456	T	95.4	Very high	96.3	Very high	15 Å²	15	28.7 Å²	28.7	9%	0.092	15%	0.154	C	C	.	.			cis	-89.1	128.5	-23.8	-57.9	0	0	0	0	107.3	N67 N458 E477	N67-T456 PolarHBondContact ND2-O 3.37Å; T456-N458 WeakPolarHBondContact CG2-OD1 3.41Å; T456-E477 HydrophobicContact CG2-CB 4.48Å; T456-E477 HydrophobicContact CG2-CG 3.74Å
457	V	97.6	Very high	96.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.			trans	-110.5	110.5	-179.3	-179.1	0	0	0	0	108.1	L462 F463 L466 V474 S475 S476 L482	V457-L462 HydrophobicContact CG1-CB 4.38Å; V457-L462 HydrophobicContact CG1-CD2 4.23Å; V457-L462 HydrophobicContact CG1-CG 4.12Å; V457-L462 HydrophobicContact CG2-CD2 4.37Å; V457-F463 HydrophobicContact CG1-CB 4.03Å; V457-L466 HydrophobicContact CG1-CD1 4.36Å; V457-L466 HydrophobicContact CG2-CD1 3.57Å; V457-V474 HydrophobicContact CB-CB 4.05Å; V457-V474 HydrophobicContact CB-CG1 4.29Å; V457-V474 HydrophobicContact CG1-CG1 4.46Å; V457-V474 HydrophobicContact CG2-CB 4.07Å; V457-V474 HydrophobicContact CG2-CG1 4.02Å; V457-S475 PolarHBondContact N-O 2.71Å; V457-S476 WeakPolarHBondContact O-CA 3.24Å; V457-S476 WeakPolarHBondContact O-CB 3.36Å; V457-S476 PolarHBondContact O-OG 3.26Å; V457-L482 HydrophobicContact CG1-CD1 4.42Å; V457-L482 WeakPolarHBondContact O-CD1 3.33Å
458	N	96.8	Very high	96.7	Very high	11 Å²	11	22.5 Å²	22.5	6%	0.059	12%	0.118	C	C	.	.			trans	-113.6	-28.4	-176.2	-67.8	-34.3	0	0	0	112.1	N67 T456 S476 E477 A478	N67-N458 PolarHBondContact O-ND2 3.44Å; N67-N458 VanDerWaalsContact O-ND2 3.12Å; N67-N458 PolarHBondContact OD1-N 3.03Å; T456-N458 WeakPolarHBondContact CG2-OD1 3.41Å; N458-S476 PolarHBondContact OD1-OG 2.94Å; N458-E477 PolarHBondContact ND2-OE2 3.01Å; N458-E477 WeakPolarHBondContact OD1-CB 3.24Å; N458-E477 PolarHBondContact OD1-N 3.47Å; N458-A478 HydrophobicContact CB-CB 4.02Å; N458-A478 PolarHBondContact OD1-N 3.45Å
459	E	96.5	Very high	96.7	Very high	43 Å²	43	21.2 Å²	21.2	20%	0.201	11%	0.112	C	C	.	.			trans	-92.5	138	-174	-76.9	-56.1	109.8	0	0	114.8	N67 W461 L462 F463	N67-E459 HydrophobicContact CB-CB 4.42Å; N67-E459 HydrophobicContact CB-CG 4.02Å; N67-E459 PolarHBondContact OD1-N 2.65Å; E459-W461 VanDerWaalsContact C-N 3.3Å; E459-W461 HydrophobicContact CB-CG 4.42Å; E459-W461 PolarHBondContact O-N 3.22Å; E459-L462 HydrophobicContact CB-CB 4.48Å; E459-L462 PolarHBondContact O-N 3.31Å; E459-F463 PolarHBondContact O-N 2.98Å
460	P	96.9	Very high	96.8	Very high	29 Å²	29	14.8 Å²	14.8	19%	0.188	8%	0.08	C	C	.	.	H	α-helix	trans	-57.9	-35.5	177.9	-28.9	37.2	0	0	0	115	S464 I481 V485 I489	P460-S464 WeakPolarHBondContact O-CB 3.05Å; P460-S464 PolarHBondContact O-N 3.43Å; P460-S464 PolarHBondContact O-OG 3.49Å; P460-I481 HydrophobicContact CG-CG2 3.69Å; P460-V485 HydrophobicContact CB-CG2 3.76Å; P460-V485 HydrophobicContact CG-CG2 4.33Å; P460-I489 HydrophobicContact CB-CD1 3.49Å; P460-I489 VanDerWaalsContact CB-CD1 3.49Å
461	W	95.6	Very high	96.8	Very high	37 Å²	37	14.9 Å²	14.9	14%	0.14	8%	0.08	C	C	.	.	H	α-helix	trans	-68.4	-44.1	-179.5	70.5	-98.7	0	0	0	110.5	E64 I152 I155 A159 E459 S464 M465	E64-W461 VanDerWaalsContact OE2-CZ2 3.31Å; E64-W461 WeakPolarHBondContact OE2-CZ2 2.9Å; I152-W461 HydrophobicContact CD1-CH2 3.55Å; I152-W461 HydrophobicContact CD1-CZ2 3.92Å; I152-W461 HydrophobicContact CG1-CH2 4.08Å; I152-W461 HydrophobicContact CG1-CZ2 4.27Å; I155-W461 HydrophobicContact CG2-CZ3 4.3Å; A159-W461 HydrophobicContact CB-CE3 4.19Å; E459-W461 VanDerWaalsContact C-N 3.3Å; E459-W461 HydrophobicContact CB-CG 4.42Å; E459-W461 PolarHBondContact O-N 3.22Å; W461-S464 WeakPolarHBondContact O-CB 3.15Å; W461-S464 PolarHBondContact O-N 3.16Å; W461-M465 HydrophobicContact CE3-CG 4.45Å; W461-M465 WeakPolarHBondContact O-CG 3.27Å; W461-M465 PolarHBondContact O-N 2.67Å
462	L	96.9	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67	-43.8	178.7	-179	59.5	0	0	0	110.4	I155 Y434 V457 E459 S464 M465 L466	I155-L462 HydrophobicContact CG2-CD1 3.85Å; Y434-L462 HydrophobicContact CD1-CD2 4.2Å; Y434-L462 HydrophobicContact CD2-CD1 4.33Å; Y434-L462 HydrophobicContact CD2-CD2 4.15Å; Y434-L462 HydrophobicContact CE1-CD2 4.47Å; Y434-L462 HydrophobicContact CE2-CD2 4.45Å; Y434-L462 HydrophobicContact CG-CD2 4.06Å; V457-L462 HydrophobicContact CG1-CB 4.38Å; V457-L462 HydrophobicContact CG1-CD2 4.23Å; V457-L462 HydrophobicContact CG1-CG 4.12Å; V457-L462 HydrophobicContact CG2-CD2 4.37Å; E459-L462 HydrophobicContact CB-CB 4.48Å; E459-L462 PolarHBondContact O-N 3.31Å; L462-S464 VanDerWaalsContact C-N 3.26Å; L462-S464 PolarHBondContact O-N 3.49Å; L462-M465 WeakPolarHBondContact O-CB 3.25Å; L462-M465 PolarHBondContact O-N 2.76Å; L462-L466 HydrophobicContact CD1-CD1 4.37Å; L462-L466 HydrophobicContact CD1-CG 4.32Å; L462-L466 HydrophobicContact CG-CD1 4.24Å; L462-L466 WeakPolarHBondContact O-CG 3.32Å; L462-L466 PolarHBondContact O-N 3.5Å
463	F	97.8	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56	-41.7	173.3	-179.7	-107.6	0	0	0	112.4	R227 P228 V230 V457 E459 W467 V474 L482 V485	R227-F463 HydrophobicContact CG-CZ 4.23Å; P228-F463 HydrophobicContact CB-CE2 4.03Å; P228-F463 HydrophobicContact CB-CZ 4.38Å; P228-F463 HydrophobicContact CG-CE2 4.22Å; P228-F463 HydrophobicContact CG-CZ 4.36Å; V230-F463 HydrophobicContact CG2-CE2 4.18Å; V230-F463 HydrophobicContact CG2-CZ 4.42Å; V457-F463 HydrophobicContact CG1-CB 4.03Å; E459-F463 PolarHBondContact O-N 2.98Å; F463-W467 HydrophobicContact CD1-CE3 4.47Å; F463-W467 AromaticContact CE1-CE3 3.83Å; F463-W467 HydrophobicContact CE1-CE3 3.83Å; F463-W467 HydrophobicContact CE1-CZ3 4.25Å; F463-W467 HydrophobicContact CZ-CE3 4.48Å; F463-W467 VanDerWaalsContact O-CB 3.31Å; F463-W467 WeakPolarHBondContact O-CB 3.13Å; F463-W467 PolarHBondContact O-N 3.43Å; F463-V474 HydrophobicContact CD2-CG1 4.12Å; F463-V474 HydrophobicContact CD2-CG2 3.75Å; F463-V474 HydrophobicContact CE2-CG1 4.35Å; F463-V474 HydrophobicContact CE2-CG2 3.69Å; F463-L482 HydrophobicContact CB-CD1 4.45Å; F463-L482 HydrophobicContact CB-CD2 3.74Å; F463-L482 HydrophobicContact CD2-CD1 3.84Å; F463-L482 HydrophobicContact CE2-CD1 4.38Å; F463-L482 HydrophobicContact CG-CD1 4.23Å; F463-L482 HydrophobicContact CG-CD2 4.07Å; F463-V485 HydrophobicContact CD1-CB 4.25Å; F463-V485 HydrophobicContact CD1-CG1 4.21Å; F463-V485 HydrophobicContact CE1-CB 4.43Å
464	S	97.1	Very high	96.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-43.1	178.2	-60.3	0	0	0	0	112	P460 W461 L462 W467 C468 I489	P460-S464 WeakPolarHBondContact O-CB 3.05Å; P460-S464 PolarHBondContact O-N 3.43Å; P460-S464 PolarHBondContact O-OG 3.49Å; W461-S464 WeakPolarHBondContact O-CB 3.15Å; W461-S464 PolarHBondContact O-N 3.16Å; L462-S464 VanDerWaalsContact C-N 3.26Å; L462-S464 PolarHBondContact O-N 3.49Å; S464-W467 WeakPolarHBondContact O-CB 3.17Å; S464-W467 PolarHBondContact O-N 2.97Å; S464-C468 PolarHBondContact O-N 3.3Å; S464-C468 PolarHBondContact O-SG 2.86Å; S464-I489 VanDerWaalsContact CB-N 3.31Å; S464-I489 WeakPolarHBondContact OG-CG1 3.28Å; S464-I489 PolarHBondContact OG-N 2.99Å
465	M	95.7	Very high	96.8	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.039	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-44.3	177.9	-71.4	-62.2	-68.5	0	0	112.7	Q158 A159 P216 W461 L462 W467 C468 S469	Q158-M465 HydrophobicContact CB-CE 3.29Å; Q158-M465 HydrophobicContact CG-CE 4.5Å; A159-M465 HydrophobicContact CB-CE 4.27Å; A159-M465 HydrophobicContact CB-CG 3.71Å; A159-M465 HydrophobicContact CB-SD 3.61Å; P216-M465 VanDerWaalsContact CD-CE 3.4Å; P216-M465 HydrophobicContact CG-CE 4.04Å; W461-M465 HydrophobicContact CE3-CG 4.45Å; W461-M465 WeakPolarHBondContact O-CG 3.27Å; W461-M465 PolarHBondContact O-N 2.67Å; L462-M465 WeakPolarHBondContact O-CB 3.25Å; L462-M465 PolarHBondContact O-N 2.76Å; M465-W467 VanDerWaalsContact C-N 3.35Å; M465-C468 PolarHBondContact O-N 2.81Å; M465-S469 WeakPolarHBondContact O-CB 3.43Å; M465-S469 PolarHBondContact O-N 3.4Å; M465-S469 PolarHBondContact O-OG 3.09Å
466	L	97.1	Very high	96.9	Very high	11 Å²	11	11.8 Å²	11.8	6%	0.058	7%	0.067	C	C	.	.	H	α-helix	trans	-68.9	-35.4	177.1	-62.2	177.2	0	0	0	111.5	I442 L454 V457 L462 S469 G470 V471 V474	I442-L466 HydrophobicContact CD1-CD2 4.13Å; L454-L466 HydrophobicContact CB-CD1 4.32Å; L454-L466 HydrophobicContact CD1-CD1 4.06Å; L454-L466 HydrophobicContact CD1-CD2 3.69Å; L454-L466 HydrophobicContact CD1-CG 4.41Å; V457-L466 HydrophobicContact CG1-CD1 4.36Å; V457-L466 HydrophobicContact CG2-CD1 3.57Å; L462-L466 HydrophobicContact CD1-CD1 4.37Å; L462-L466 HydrophobicContact CD1-CG 4.32Å; L462-L466 HydrophobicContact CG-CD1 4.24Å; L462-L466 WeakPolarHBondContact O-CG 3.32Å; L462-L466 PolarHBondContact O-N 3.5Å; L466-S469 PolarHBondContact O-N 3Å; L466-G470 PolarHBondContact O-N 3.26Å; L466-V471 HydrophobicContact CB-CB 4.3Å; L466-V471 HydrophobicContact CB-CG1 3.77Å; L466-V471 WeakPolarHBondContact O-CG1 3.39Å; L466-V471 PolarHBondContact O-N 3.21Å; L466-V471 VanDerWaalsContact O-N 3.12Å; L466-V474 HydrophobicContact CD1-CG1 4.23Å
467	W	97.3	Very high	97	Very high	15 Å²	15	11.7 Å²	11.7	6%	0.057	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-50.6	172.5	-176.5	-0.8	0	0	0	111.2	L224 K225 P226 R227 P228 F463 S464 M465 S469 G470 P486 S487 P488	L224-W467 HydrophobicContact CD2-CZ2 4.19Å; K225-W467 PolarHBondContact O-NE1 3.49Å; P226-W467 PolarHBondContact O-NE1 3.33Å; R227-W467 VanDerWaalsContact CA-CE2 3.49Å; R227-W467 HydrophobicContact CB-CH2 3.86Å; R227-W467 HydrophobicContact CB-CZ2 3.58Å; R227-W467 HydrophobicContact CB-CZ3 4.49Å; R227-W467 HydrophobicContact CG-CE3 4.37Å; R227-W467 HydrophobicContact CG-CH2 3.86Å; R227-W467 HydrophobicContact CG-CZ2 4.04Å; R227-W467 HydrophobicContact CG-CZ3 4.05Å; P228-W467 VanDerWaalsContact CD-CD1 3.48Å; P228-W467 HydrophobicContact CG-CB 3.81Å; P228-W467 HydrophobicContact CG-CG 4.01Å; F463-W467 HydrophobicContact CD1-CE3 4.47Å; F463-W467 AromaticContact CE1-CE3 3.83Å; F463-W467 HydrophobicContact CE1-CE3 3.83Å; F463-W467 HydrophobicContact CE1-CZ3 4.25Å; F463-W467 HydrophobicContact CZ-CE3 4.48Å; F463-W467 VanDerWaalsContact O-CB 3.31Å; F463-W467 WeakPolarHBondContact O-CB 3.13Å; F463-W467 PolarHBondContact O-N 3.43Å; S464-W467 WeakPolarHBondContact O-CB 3.17Å; S464-W467 PolarHBondContact O-N 2.97Å; M465-W467 VanDerWaalsContact C-N 3.35Å; W467-S469 PolarHBondContact O-N 3.46Å; W467-G470 PolarHBondContact O-N 2.89Å; W467-P486 WeakPolarHBondContact CH2-O 3.49Å; W467-S487 VanDerWaalsContact CZ3-CA 3.49Å; W467-P488 HydrophobicContact CB-CG 4.3Å; W467-P488 HydrophobicContact CD2-CG 3.53Å; W467-P488 HydrophobicContact CE3-CB 4.41Å; W467-P488 HydrophobicContact CE3-CG 3.68Å; W467-P488 HydrophobicContact CG-CG 3.82Å; W467-P488 HydrophobicContact CZ3-CG 4.28Å
468	C	96.4	Very high	96.9	Very high	10 Å²	10	11.7 Å²	11.7	7%	0.068	7%	0.066	C	C	.	.	H	α-helix	trans	-58.7	-32.5	175.9	-62.4	0	0	0	0	112.5	P216 C217 M219 S464 M465 G470 P488	P216-C468 HydrophobicContact CB-CB 3.86Å; C217-C468 WeakPolarHBondContact CA-SG 3.22Å; C217-C468 HydrophobicContact CB-CB 3.93Å; C217-C468 WeakPolarHBondContact CB-SG 3.46Å; C217-C468 WeakPolarHBondContact SG-CB 3.48Å; C217-C468 CovalentContact SG-SG 2.05Å; C217-C468 PolarHBondContact SG-SG 2.66Å; M219-C468 HydrophobicContact SD-CB 4.28Å; S464-C468 PolarHBondContact O-N 3.3Å; S464-C468 PolarHBondContact O-SG 2.86Å; M465-C468 PolarHBondContact O-N 2.81Å; C468-G470 PolarHBondContact O-N 2.85Å; C468-P488 WeakPolarHBondContact SG-CB 3.44Å
469	S	95.8	Very high	96.9	Very high	11 Å²	11	11.3 Å²	11.3	8%	0.077	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.8	175.4	-54.8	0	0	0	0	114.1	P216 I442 M465 L466 W467	P216-S469 WeakPolarHBondContact CB-OG 3.28Å; P216-S469 VanDerWaalsContact CG-OG 3.31Å; P216-S469 WeakPolarHBondContact CG-OG 3.31Å; I442-S469 VanDerWaalsContact CG2-O 3.31Å; I442-S469 WeakPolarHBondContact CG2-O 3.39Å; M465-S469 WeakPolarHBondContact O-CB 3.43Å; M465-S469 PolarHBondContact O-N 3.4Å; M465-S469 PolarHBondContact O-OG 3.09Å; L466-S469 PolarHBondContact O-N 3Å; W467-S469 PolarHBondContact O-N 3.46Å
470	G	95.9	Very high	96.8	Very high	10 Å²	10	11 Å²	11	10%	0.103	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	26.3	177.7	0	0	0	0	0	115.2	L466 W467 C468	L466-G470 PolarHBondContact O-N 3.26Å; W467-G470 PolarHBondContact O-N 2.89Å; C468-G470 PolarHBondContact O-N 2.85Å
471	V	97.4	Very high	96.8	Very high	6 Å²	6	11.6 Å²	11.6	4%	0.036	6%	0.063	C	C	.	.			trans	-59.7	144.4	174.6	78.4	0	0	0	0	111	P228 I442 L452 L454 L466 A473 V474	P228-V471 HydrophobicContact CB-CG1 3.79Å; P228-V471 HydrophobicContact CG-CG1 3.54Å; I442-V471 HydrophobicContact CG2-CB 4.22Å; L452-V471 HydrophobicContact CB-CG2 4.47Å; L452-V471 HydrophobicContact CD2-CG2 4.38Å; L452-V471 HydrophobicContact CG-CG2 4.28Å; L452-V471 WeakPolarHBondContact O-CG2 3.41Å; L454-V471 HydrophobicContact CD1-CG2 3.75Å; L454-V471 HydrophobicContact CG-CG2 3.82Å; L466-V471 HydrophobicContact CB-CB 4.3Å; L466-V471 HydrophobicContact CB-CG1 3.77Å; L466-V471 WeakPolarHBondContact O-CG1 3.39Å; L466-V471 PolarHBondContact O-N 3.21Å; L466-V471 VanDerWaalsContact O-N 3.12Å; V471-A473 WeakPolarHBondContact CG2-O 3.36Å; V471-V474 HydrophobicContact CG1-CG1 4.18Å
472	S	97.1	Very high	96.8	Very high	40 Å²	40	9.8 Å²	9.8	28%	0.28	6%	0.057	S	C	.	.	S	Bend	trans	-75.6	-44.8	-179.3	-46.7	0	0	0	0	111.7	P228 E229 S451 L452	P228-S472 WeakPolarHBondContact CA-O 3.5Å; E229-S472 PolarHBondContact N-O 3.44Å; S451-S472 WeakPolarHBondContact OG-CB 3.34Å; L452-S472 PolarHBondContact N-OG 2.92Å; L452-S472 WeakPolarHBondContact O-CB 3.47Å; L452-S472 PolarHBondContact O-N 2.77Å
473	A	97.9	Very high	96.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.8	-178.2	0	0	0	0	0	112.1	E229 F231 L452 T453 L454 V471	E229-A473 HydrophobicContact CB-CB 3.86Å; E229-A473 CarbonylContact O-C 3.51Å; E229-A473 VanDerWaalsContact O-CA 3.22Å; E229-A473 WeakPolarHBondContact O-CA 3.46Å; F231-A473 HydrophobicContact CD2-CB 3.9Å; F231-A473 HydrophobicContact CE2-CB 3.7Å; L452-A473 PolarHBondContact O-N 3.48Å; T453-A473 WeakPolarHBondContact CA-O 3.43Å; T453-A473 HydrophobicContact CG2-CB 4.05Å; L454-A473 PolarHBondContact N-O 2.78Å; L454-A473 VanDerWaalsContact N-O 3.11Å; V471-A473 WeakPolarHBondContact CG2-O 3.36Å
474	V	98.4	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.2	167.2	-59.3	0	0	0	0	109.7	E229 V230 F231 L454 V457 F463 L466 V471 L482	E229-V474 PolarHBondContact O-N 2.87Å; V230-V474 WeakPolarHBondContact CA-O 3.31Å; V230-V474 HydrophobicContact CG1-CG2 4.43Å; V230-V474 HydrophobicContact CG2-CG2 4.13Å; F231-V474 PolarHBondContact N-O 3.38Å; L454-V474 CarbonylContact O-C 3.15Å; L454-V474 VanDerWaalsContact O-CA 3.27Å; L454-V474 WeakPolarHBondContact O-CA 3.37Å; V457-V474 HydrophobicContact CB-CB 4.05Å; V457-V474 HydrophobicContact CB-CG1 4.29Å; V457-V474 HydrophobicContact CG1-CG1 4.46Å; V457-V474 HydrophobicContact CG2-CB 4.07Å; V457-V474 HydrophobicContact CG2-CG1 4.02Å; F463-V474 HydrophobicContact CD2-CG1 4.12Å; F463-V474 HydrophobicContact CD2-CG2 3.75Å; F463-V474 HydrophobicContact CE2-CG1 4.35Å; F463-V474 HydrophobicContact CE2-CG2 3.69Å; L466-V474 HydrophobicContact CD1-CG1 4.23Å; V471-V474 HydrophobicContact CG1-CG1 4.18Å; V474-L482 HydrophobicContact CG2-CD1 3.88Å
475	S	98	Very high	96.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.2	165.3	-160.8	0	0	0	0	109.9	H233 E260 L454 V457	H233-S475 WeakPolarHBondContact CB-OG 3.33Å; E260-S475 WeakPolarHBondContact OE2-CB 3.37Å; E260-S475 PolarHBondContact OE2-OG 3.17Å; L454-S475 PolarHBondContact O-N 3.09Å; V457-S475 PolarHBondContact N-O 2.71Å
476	S	97.9	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.5	-166.8	-173	0	0	0	0	111.3	F231 H233 V457 N458 A478 P479 L482	F231-S476 PolarHBondContact O-N 2.68Å; H233-S476 VanDerWaalsContact CB-C 3.46Å; H233-S476 WeakPolarHBondContact CB-O 3.49Å; H233-S476 PolarHBondContact N-O 2.89Å; V457-S476 WeakPolarHBondContact O-CA 3.24Å; V457-S476 WeakPolarHBondContact O-CB 3.36Å; V457-S476 PolarHBondContact O-OG 3.26Å; N458-S476 PolarHBondContact OD1-OG 2.94Å; S476-A478 WeakPolarHBondContact OG-CA 3.07Å; S476-A478 PolarHBondContact OG-N 2.93Å; S476-P479 WeakPolarHBondContact O-CD 3.43Å; S476-L482 WeakPolarHBondContact OG-CD1 3.48Å
477	E	96.8	Very high	96.3	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.061	17%	0.165	C	C	.	.	S	Bend	trans	-80.1	-12.6	165.4	-60.4	167.1	134.2	0	0	111.3	N70 H233 V236 P237 M238 T456 N458 P479	N70-E477 PolarHBondContact ND2-OE1 3.38Å; H233-E477 HydrophobicContact CB-CG 4.14Å; V236-E477 WeakPolarHBondContact CG1-O 3.49Å; P237-E477 HydrophobicContact CB-CB 4.28Å; P237-E477 HydrophobicContact CB-CG 4.24Å; P237-E477 HydrophobicContact CG-CB 4.29Å; P237-E477 HydrophobicContact CG-CG 4Å; M238-E477 WeakPolarHBondContact CB-O 3.46Å; M238-E477 HydrophobicContact CG-CB 4.12Å; M238-E477 WeakPolarHBondContact CG-O 3.36Å; T456-E477 HydrophobicContact CG2-CB 4.48Å; T456-E477 HydrophobicContact CG2-CG 3.74Å; N458-E477 PolarHBondContact ND2-OE2 3.01Å; N458-E477 WeakPolarHBondContact OD1-CB 3.24Å; N458-E477 PolarHBondContact OD1-N 3.47Å; E477-P479 WeakPolarHBondContact O-CD 3.3Å
478	A	95.9	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.			trans	-116.5	37.2	-170.9	0	0	0	0	0	115	M238 N458 S476 H480 I481 L482	M238-A478 HydrophobicContact SD-CB 3.24Å; M238-A478 WeakPolarHBondContact SD-CB 3.25Å; N458-A478 HydrophobicContact CB-CB 4.02Å; N458-A478 PolarHBondContact OD1-N 3.45Å; S476-A478 WeakPolarHBondContact OG-CA 3.07Å; S476-A478 PolarHBondContact OG-N 2.93Å; A478-H480 PolarHBondContact O-N 2.73Å; A478-I481 HydrophobicContact CB-CB 4.17Å; A478-I481 HydrophobicContact CB-CD1 4.09Å; A478-I481 WeakPolarHBondContact O-CA 3.43Å; A478-I481 WeakPolarHBondContact O-CB 3.29Å; A478-I481 PolarHBondContact O-N 3.06Å; A478-L482 PolarHBondContact O-N 3.1Å; A478-L482 VanDerWaalsContact O-N 3.17Å
479	P	96.6	Very high	96.1	Very high	3 Å²	3	33 Å²	33	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-29	-173.7	19	-29.5	0	0	0	113.2	V230 V236 M254 V256 S476 E477 I481 L482 R483	V230-P479 HydrophobicContact CG1-CB 3.77Å; V236-P479 HydrophobicContact CB-CG 4.49Å; V236-P479 HydrophobicContact CG1-CG 3.91Å; V236-P479 HydrophobicContact CG2-CG 4.04Å; M254-P479 HydrophobicContact SD-CB 4.28Å; M254-P479 HydrophobicContact SD-CG 3.73Å; V256-P479 HydrophobicContact CG1-CB 3.65Å; V256-P479 HydrophobicContact CG1-CG 3.93Å; S476-P479 WeakPolarHBondContact O-CD 3.43Å; E477-P479 WeakPolarHBondContact O-CD 3.3Å; P479-I481 VanDerWaalsContact C-N 3.29Å; P479-I481 PolarHBondContact O-N 2.89Å; P479-L482 PolarHBondContact O-N 3.31Å; P479-R483 VanDerWaalsContact O-CB 3.25Å; P479-R483 WeakPolarHBondContact O-CB 3.27Å; P479-R483 PolarHBondContact O-N 2.88Å
480	H	95.1	Very high	95.8	Very high	35 Å²	35	39.1 Å²	39.1	16%	0.162	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-28.3	173	67.8	-70.4	0	0	0	114.7	L239 M254 A478 K484	L239-H480 HydrophobicContact CD1-CB 4.19Å; M254-H480 HydrophobicContact CE-CB 3.98Å; M254-H480 HydrophobicContact CG-CB 4.43Å; M254-H480 HydrophobicContact SD-CB 3.64Å; A478-H480 PolarHBondContact O-N 2.73Å; H480-K484 WeakPolarHBondContact O-CE 3.25Å; H480-K484 WeakPolarHBondContact O-CG 3.33Å
481	I	96.1	Very high	95.7	Very high	42 Å²	42	40.9 Å²	40.9	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-80.6	-52.9	174.4	-72	165.3	0	0	0	108.9	M238 P460 A478 P479 R483 K484	M238-I481 HydrophobicContact CE-CD1 3.84Å; M238-I481 HydrophobicContact SD-CD1 4.08Å; P460-I481 HydrophobicContact CG-CG2 3.69Å; A478-I481 HydrophobicContact CB-CB 4.17Å; A478-I481 HydrophobicContact CB-CD1 4.09Å; A478-I481 WeakPolarHBondContact O-CA 3.43Å; A478-I481 WeakPolarHBondContact O-CB 3.29Å; A478-I481 PolarHBondContact O-N 3.06Å; P479-I481 VanDerWaalsContact C-N 3.29Å; P479-I481 PolarHBondContact O-N 2.89Å; I481-R483 VanDerWaalsContact C-N 3.29Å; I481-R483 PolarHBondContact O-N 3.33Å; I481-K484 WeakPolarHBondContact O-CB 3.45Å; I481-K484 PolarHBondContact O-N 3.44Å
482	L	96.6	Very high	95.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-37.8	-176.4	-59.5	-167.8	0	0	0	112.6	R227 V230 V457 F463 V474 S476 A478 P479 K484 V485	R227-L482 PolarHBondContact NH2-O 3.14Å; V230-L482 HydrophobicContact CG1-CD1 4.4Å; V457-L482 HydrophobicContact CG1-CD1 4.42Å; V457-L482 WeakPolarHBondContact O-CD1 3.33Å; F463-L482 HydrophobicContact CB-CD1 4.45Å; F463-L482 HydrophobicContact CB-CD2 3.74Å; F463-L482 HydrophobicContact CD2-CD1 3.84Å; F463-L482 HydrophobicContact CE2-CD1 4.38Å; F463-L482 HydrophobicContact CG-CD1 4.23Å; F463-L482 HydrophobicContact CG-CD2 4.07Å; V474-L482 HydrophobicContact CG2-CD1 3.88Å; S476-L482 WeakPolarHBondContact OG-CD1 3.48Å; A478-L482 PolarHBondContact O-N 3.1Å; A478-L482 VanDerWaalsContact O-N 3.17Å; P479-L482 PolarHBondContact O-N 3.31Å; L482-K484 PolarHBondContact O-N 2.9Å; L482-K484 VanDerWaalsContact O-N 3.1Å; L482-V485 WeakPolarHBondContact O-CB 3.41Å; L482-V485 WeakPolarHBondContact O-CG2 3.4Å; L482-V485 PolarHBondContact O-N 3.19Å
483	R	91.8	Very high	95.5	Very high	124 Å²	124	41.3 Å²	41.3	47%	0.468	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	177.2	-168.2	173.2	70.5	171.9	2.8	113.3	M254 P479 I481 V485	M254-R483 VanDerWaalsContact CA-NH1 3.3Å; M254-R483 VanDerWaalsContact O-CD 3.3Å; M254-R483 WeakPolarHBondContact O-CD 3.46Å; M254-R483 PolarHBondContact O-NH1 3.35Å; P479-R483 VanDerWaalsContact O-CB 3.25Å; P479-R483 WeakPolarHBondContact O-CB 3.27Å; P479-R483 PolarHBondContact O-N 2.88Å; I481-R483 VanDerWaalsContact C-N 3.29Å; I481-R483 PolarHBondContact O-N 3.33Å; R483-V485 PolarHBondContact O-N 3.44Å
484	K	94.4	Very high	95.3	Very high	160 Å²	160	44 Å²	44	70%	0.696	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.4	178.4	-60.9	173.6	-175.3	172.8	0	113.6	H480 I481 L482 P486	H480-K484 WeakPolarHBondContact O-CE 3.25Å; H480-K484 WeakPolarHBondContact O-CG 3.33Å; I481-K484 WeakPolarHBondContact O-CB 3.45Å; I481-K484 PolarHBondContact O-N 3.44Å; L482-K484 PolarHBondContact O-N 2.9Å; L482-K484 VanDerWaalsContact O-N 3.1Å; K484-P486 WeakPolarHBondContact O-CD 3.38Å
485	V	96.1	Very high	95.1	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	26%	0.258	C	S	.	.			trans	-91.8	97.9	176.5	-176.1	0	0	0	0	108.9	R227 P460 F463 L482 R483 S487 I489	R227-V485 PolarHBondContact NH1-O 3.42Å; R227-V485 PolarHBondContact NH2-O 3.46Å; P460-V485 HydrophobicContact CB-CG2 3.76Å; P460-V485 HydrophobicContact CG-CG2 4.33Å; F463-V485 HydrophobicContact CD1-CB 4.25Å; F463-V485 HydrophobicContact CD1-CG1 4.21Å; F463-V485 HydrophobicContact CE1-CB 4.43Å; L482-V485 WeakPolarHBondContact O-CB 3.41Å; L482-V485 WeakPolarHBondContact O-CG2 3.4Å; L482-V485 PolarHBondContact O-N 3.19Å; R483-V485 PolarHBondContact O-N 3.44Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 WeakPolarHBondContact CG1-O 3.45Å; V485-I489 HydrophobicContact CG1-CG1 4.31Å
486	P	94.3	Very high	94.9	Very high	110 Å²	110	56.6 Å²	56.6	71%	0.714	28%	0.277	S	S	*	.	S	Bend	trans	-75.4	-23.7	-175.5	31.5	-37.4	0	0	0	113.3	W467 K484	W467-P486 WeakPolarHBondContact CH2-O 3.49Å; K484-P486 WeakPolarHBondContact O-CD 3.38Å
487	S	96	Very high	94.8	Very high	64 Å²	64	57.6 Å²	57.6	45%	0.448	28%	0.281	S	S	.	.	S	Bend	trans	-151	156.4	179.6	57.7	0	0	0	0	108.8	W467 V485 I489	W467-S487 VanDerWaalsContact CZ3-CA 3.49Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 WeakPolarHBondContact CG1-O 3.45Å; S487-I489 PolarHBondContact O-N 3.05Å
488	P	96.9	Very high	94.7	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.026	30%	0.302	C	S	.	.			trans	-54.9	130.5	176.5	-17	25.5	0	0	0	110.8	L224 W467 C468 L491	L224-P488 HydrophobicContact CD1-CG 3.88Å; L224-P488 HydrophobicContact CD2-CG 3.85Å; W467-P488 HydrophobicContact CB-CG 4.3Å; W467-P488 HydrophobicContact CD2-CG 3.53Å; W467-P488 HydrophobicContact CE3-CB 4.41Å; W467-P488 HydrophobicContact CE3-CG 3.68Å; W467-P488 HydrophobicContact CG-CG 3.82Å; W467-P488 HydrophobicContact CZ3-CG 4.28Å; C468-P488 WeakPolarHBondContact SG-CB 3.44Å; P488-L491 HydrophobicContact CB-CB 4.27Å; P488-L491 PolarHBondContact O-N 3.36Å
489	I	93.9	Very high	94.7	Very high	61 Å²	61	67.7 Å²	67.7	31%	0.313	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	137.5	172.3	-50.4	174.4	0	0	0	107.2	P460 S464 V485 S487 L491	P460-I489 HydrophobicContact CB-CD1 3.49Å; P460-I489 VanDerWaalsContact CB-CD1 3.49Å; S464-I489 VanDerWaalsContact CB-N 3.31Å; S464-I489 WeakPolarHBondContact OG-CG1 3.28Å; S464-I489 PolarHBondContact OG-N 2.99Å; V485-I489 HydrophobicContact CG1-CG1 4.31Å; S487-I489 PolarHBondContact O-N 3.05Å; I489-L491 PolarHBondContact O-N 3.37Å
490	W	88.3	Confident	94.5	Very high	139 Å²	139	71.5 Å²	71.5	53%	0.527	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	15.9	178.5	-42.3	118.3	0	0	0	116	F163 M492	F163-W490 HydrophobicContact CD1-CZ3 4.48Å; F163-W490 HydrophobicContact CE1-CD2 4.15Å; F163-W490 AromaticContact CE1-CE3 3.57Å; F163-W490 HydrophobicContact CE1-CE3 3.57Å; F163-W490 HydrophobicContact CE1-CH2 4.29Å; F163-W490 AromaticContact CE1-CZ3 3.63Å; F163-W490 HydrophobicContact CE1-CZ3 3.63Å; F163-W490 HydrophobicContact CE2-CB 4.02Å; F163-W490 AromaticContact CE2-CD2 3.53Å; F163-W490 HydrophobicContact CE2-CD2 3.53Å; F163-W490 AromaticContact CE2-CE2 3.97Å; F163-W490 AromaticContact CE2-CE3 3.84Å; F163-W490 HydrophobicContact CE2-CE3 3.84Å; F163-W490 AromaticContact CE2-CG 3.62Å; F163-W490 HydrophobicContact CE2-CG 3.62Å; F163-W490 HydrophobicContact CE2-CZ3 4.45Å; F163-W490 HydrophobicContact CZ-CB 3.94Å; F163-W490 AromaticContact CZ-CD2 3.28Å; F163-W490 HydrophobicContact CZ-CD2 3.28Å; F163-W490 AromaticContact CZ-CE3 3.07Å; F163-W490 HydrophobicContact CZ-CE3 3.07Å; F163-W490 AromaticContact CZ-CG 3.68Å; F163-W490 HydrophobicContact CZ-CG 3.68Å; F163-W490 HydrophobicContact CZ-CH2 4.33Å; F163-W490 AromaticContact CZ-CZ3 3.64Å; F163-W490 HydrophobicContact CZ-CZ3 3.64Å; W490-M492 HydrophobicContact CB-CE 4.45Å; W490-M492 WeakPolarHBondContact O-CE 3.47Å; W490-M492 PolarHBondContact O-N 3.37Å; W490-M492 VanDerWaalsContact O-N 3.14Å
491	L	95	Very high	94.5	Very high	47 Å²	47	72 Å²	72	25%	0.246	35%	0.351	C	S	.	.			trans	-58.5	117.9	168.7	-177.1	67.8	0	0	0	110.2	M219 P221 L224 P488 I489	M219-L491 HydrophobicContact CG-CD1 3.69Å; M219-L491 HydrophobicContact SD-CD1 4.21Å; P221-L491 HydrophobicContact CB-CD2 4.02Å; P221-L491 HydrophobicContact CG-CD2 4.37Å; P221-L491 HydrophobicContact CG-CG 4.44Å; L224-L491 HydrophobicContact CD2-CD2 3.99Å; P488-L491 HydrophobicContact CB-CB 4.27Å; P488-L491 PolarHBondContact O-N 3.36Å; I489-L491 PolarHBondContact O-N 3.37Å
492	M	94.1	Very high	94.5	Very high	24 Å²	24	73.6 Å²	73.6	12%	0.118	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-142.1	144.7	-179.3	66.9	-178.2	79	0	0	112	F163 C217 I218 M219 W490 Y497	F163-M492 HydrophobicContact CZ-CE 3.95Å; C217-M492 PolarHBondContact O-N 3Å; I218-M492 CarbonylContact C-O 3.47Å; I218-M492 VanDerWaalsContact CA-O 3.31Å; I218-M492 WeakPolarHBondContact CA-O 3.41Å; I218-M492 HydrophobicContact CG1-CG 3.86Å; I218-M492 HydrophobicContact CG1-SD 4.2Å; M219-M492 PolarHBondContact N-O 3.31Å; M219-M492 VanDerWaalsContact O-O 3.1Å; W490-M492 HydrophobicContact CB-CE 4.45Å; W490-M492 WeakPolarHBondContact O-CE 3.47Å; W490-M492 PolarHBondContact O-N 3.37Å; W490-M492 VanDerWaalsContact O-N 3.14Å; M492-Y497 HydrophobicContact SD-CD2 3.73Å; M492-Y497 HydrophobicContact SD-CG 4.17Å
493	S	95.1	Very high	94.5	Very high	31 Å²	31	76.3 Å²	76.3	22%	0.217	38%	0.382	C	S	.	.			trans	-70.4	149	174.9	83.4	0	0	0	0	111	M219 R495 T496 Y497	M219-S493 WeakPolarHBondContact O-CA 3.46Å; S493-R495 PolarHBondContact O-N 3.45Å; S493-R495 VanDerWaalsContact O-N 3.14Å; S493-T496 WeakPolarHBondContact O-CB 3.5Å; S493-T496 PolarHBondContact O-N 3.07Å; S493-T496 PolarHBondContact OG-N 3.21Å; S493-T496 VanDerWaalsContact OG-N 3.08Å; S493-T496 PolarHBondContact OG-OG1 3.11Å; S493-Y497 PolarHBondContact O-N 2.89Å
494	P	94.5	Very high	94.8	Very high	58 Å²	58	71.4 Å²	71.4	38%	0.377	37%	0.367	S	S	.	.	H	α-helix	trans	-54.3	-34.4	174.5	-27.9	34.6	0	0	0	113.2	I218 Y497 Q498	I218-P494 HydrophobicContact CG2-CB 4.38Å; I218-P494 HydrophobicContact CG2-CG 4.26Å; P494-Y497 PolarHBondContact O-N 3.44Å; P494-Q498 WeakPolarHBondContact O-CB 3.34Å; P494-Q498 VanDerWaalsContact O-CG 3.23Å; P494-Q498 WeakPolarHBondContact O-CG 3.23Å; P494-Q498 PolarHBondContact O-N 3.43Å
495	R	94.6	Very high	94.9	Very high	199 Å²	199	64.8 Å²	64.8	75%	0.751	34%	0.339	S	S	*	.	H	α-helix	trans	-66.4	-43.5	175.8	-67.5	-177.2	-179.3	176.1	0	112.1	S493 Y497 Q498 L499	S493-R495 PolarHBondContact O-N 3.45Å; S493-R495 VanDerWaalsContact O-N 3.14Å; R495-Y497 VanDerWaalsContact C-N 3.35Å; R495-Q498 PolarHBondContact O-N 2.88Å; R495-L499 WeakPolarHBondContact O-CB 3.41Å; R495-L499 VanDerWaalsContact O-CG 3.29Å; R495-L499 WeakPolarHBondContact O-CG 3.32Å; R495-L499 PolarHBondContact O-N 3.18Å
496	T	93.9	Very high	94.9	Very high	65 Å²	65	69.6 Å²	69.6	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-45.5	176.7	-52.9	0	0	0	0	110.4	S493 L499 I500	S493-T496 WeakPolarHBondContact O-CB 3.5Å; S493-T496 PolarHBondContact O-N 3.07Å; S493-T496 PolarHBondContact OG-N 3.21Å; S493-T496 VanDerWaalsContact OG-N 3.08Å; S493-T496 PolarHBondContact OG-OG1 3.11Å; T496-L499 PolarHBondContact O-N 2.99Å; T496-I500 HydrophobicContact CG2-CD1 4.16Å; T496-I500 WeakPolarHBondContact O-CG1 3.47Å; T496-I500 PolarHBondContact O-N 3.26Å
497	Y	94.4	Very high	95.1	Very high	22 Å²	22	69.7 Å²	69.7	9%	0.086	36%	0.358	C	S	.	.	H	α-helix	trans	-59.7	-48.9	176.7	179.4	-117	0	0	0	111.9	P162 P210 I218 M492 S493 P494 R495 L499 I500 W501	P162-Y497 HydrophobicContact CB-CD2 4.42Å; P162-Y497 HydrophobicContact CB-CE2 3.77Å; P162-Y497 HydrophobicContact CG-CE2 4.01Å; P210-Y497 HydrophobicContact CB-CE1 4.49Å; P210-Y497 WeakPolarHBondContact CB-OH 3.46Å; I218-Y497 HydrophobicContact CD1-CD1 3.91Å; I218-Y497 HydrophobicContact CD1-CD2 3.96Å; I218-Y497 HydrophobicContact CD1-CE1 3.99Å; I218-Y497 HydrophobicContact CD1-CE2 4.07Å; I218-Y497 HydrophobicContact CD1-CG 3.88Å; I218-Y497 HydrophobicContact CG1-CG 4.47Å; I218-Y497 HydrophobicContact CG2-CD1 4.23Å; I218-Y497 HydrophobicContact CG2-CG 4.25Å; M492-Y497 HydrophobicContact SD-CD2 3.73Å; M492-Y497 HydrophobicContact SD-CG 4.17Å; S493-Y497 PolarHBondContact O-N 2.89Å; P494-Y497 PolarHBondContact O-N 3.44Å; R495-Y497 VanDerWaalsContact C-N 3.35Å; Y497-L499 VanDerWaalsContact C-N 3.31Å; Y497-L499 PolarHBondContact O-N 3.31Å; Y497-I500 PolarHBondContact O-N 2.88Å; Y497-W501 WeakPolarHBondContact O-CB 3.48Å; Y497-W501 PolarHBondContact O-N 2.84Å
498	Q	94.4	Very high	95.2	Very high	107 Å²	107	66.8 Å²	66.8	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-41.1	175.6	-76.9	173.6	-12.1	0	0	112.5	P494 R495 W501 V502	P494-Q498 WeakPolarHBondContact O-CB 3.34Å; P494-Q498 VanDerWaalsContact O-CG 3.23Å; P494-Q498 WeakPolarHBondContact O-CG 3.23Å; P494-Q498 PolarHBondContact O-N 3.43Å; R495-Q498 PolarHBondContact O-N 2.88Å; Q498-W501 PolarHBondContact O-N 3.22Å; Q498-V502 WeakPolarHBondContact O-CB 3.47Å; Q498-V502 VanDerWaalsContact O-CG2 3.29Å; Q498-V502 WeakPolarHBondContact O-CG2 3.42Å; Q498-V502 PolarHBondContact O-N 3.4Å
499	L	95.5	Very high	95.2	Very high	118 Å²	118	71.9 Å²	71.9	62%	0.618	36%	0.359	S	S	*	.	H	α-helix	trans	-63.8	-45.8	176.7	-76.2	169.6	0	0	0	111.9	R495 T496 Y497 W501 S503	R495-L499 WeakPolarHBondContact O-CB 3.41Å; R495-L499 VanDerWaalsContact O-CG 3.29Å; R495-L499 WeakPolarHBondContact O-CG 3.32Å; R495-L499 PolarHBondContact O-N 3.18Å; T496-L499 PolarHBondContact O-N 2.99Å; Y497-L499 VanDerWaalsContact C-N 3.31Å; Y497-L499 PolarHBondContact O-N 3.31Å; L499-W501 VanDerWaalsContact C-N 3.34Å; L499-S503 WeakPolarHBondContact O-CB 3.29Å; L499-S503 PolarHBondContact O-N 3.45Å; L499-S503 PolarHBondContact O-OG 2.98Å
500	I	93.9	Very high	95.4	Very high	82 Å²	82	71.8 Å²	71.8	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-49.1	177.2	-68.5	167	0	0	0	109.8	V166 T496 Y497 S503 A504	V166-I500 HydrophobicContact CG2-CG2 4.39Å; T496-I500 HydrophobicContact CG2-CD1 4.16Å; T496-I500 WeakPolarHBondContact O-CG1 3.47Å; T496-I500 PolarHBondContact O-N 3.26Å; Y497-I500 PolarHBondContact O-N 2.88Å; I500-S503 PolarHBondContact O-N 2.93Å; I500-A504 VanDerWaalsContact O-CB 3.27Å; I500-A504 WeakPolarHBondContact O-CB 3.25Å; I500-A504 PolarHBondContact O-N 3.16Å
501	W	95.4	Very high	95.8	Very high	45 Å²	45	68.2 Å²	68.2	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-58	179.4	169.6	22.6	0	0	0	112	Y207 P210 L211 Y497 Q498 L499 S503 A504 D505	Y207-W501 WeakPolarHBondContact O-CZ2 3.4Å; Y207-W501 PolarHBondContact O-NE1 2.84Å; Y207-W501 VanDerWaalsContact O-NE1 3.11Å; P210-W501 HydrophobicContact CB-CD2 3.44Å; P210-W501 VanDerWaalsContact CB-CD2 3.44Å; P210-W501 HydrophobicContact CB-CE3 3.78Å; P210-W501 HydrophobicContact CB-CG 3.81Å; P210-W501 HydrophobicContact CB-CH2 4.36Å; P210-W501 HydrophobicContact CB-CZ2 4.05Å; P210-W501 HydrophobicContact CB-CZ3 4.22Å; P210-W501 HydrophobicContact CG-CD2 3.86Å; P210-W501 HydrophobicContact CG-CG 3.81Å; P210-W501 HydrophobicContact CG-CZ2 4.4Å; L211-W501 HydrophobicContact CD1-CH2 4.39Å; L211-W501 HydrophobicContact CD2-CH2 3.44Å; L211-W501 VanDerWaalsContact CD2-CH2 3.44Å; L211-W501 HydrophobicContact CD2-CZ3 3.83Å; L211-W501 HydrophobicContact CG-CH2 3.56Å; L211-W501 HydrophobicContact CG-CZ2 4.25Å; L211-W501 HydrophobicContact CG-CZ3 4.33Å; Y497-W501 WeakPolarHBondContact O-CB 3.48Å; Y497-W501 PolarHBondContact O-N 2.84Å; Q498-W501 PolarHBondContact O-N 3.22Å; L499-W501 VanDerWaalsContact C-N 3.34Å; W501-S503 VanDerWaalsContact C-N 3.27Å; W501-S503 PolarHBondContact O-N 2.81Å; W501-A504 PolarHBondContact O-N 2.98Å; W501-D505 VanDerWaalsContact CD1-OD2 3.3Å; W501-D505 PolarHBondContact NE1-OD2 2.94Å; W501-D505 PolarHBondContact O-N 3.06Å
502	V	96.1	Very high	95.9	Very high	77 Å²	77	66.5 Å²	66.5	47%	0.467	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-40.2	-178.2	171.6	0	0	0	0	111.2	Q498 D505 L506	Q498-V502 WeakPolarHBondContact O-CB 3.47Å; Q498-V502 VanDerWaalsContact O-CG2 3.29Å; Q498-V502 WeakPolarHBondContact O-CG2 3.42Å; Q498-V502 PolarHBondContact O-N 3.4Å; V502-D505 PolarHBondContact O-N 3.19Å; V502-L506 HydrophobicContact CG1-CD1 3.9Å; V502-L506 HydrophobicContact CG1-CG 4.34Å; V502-L506 WeakPolarHBondContact O-CB 3.45Å; V502-L506 VanDerWaalsContact O-CG 3.25Å; V502-L506 WeakPolarHBondContact O-CG 3.31Å; V502-L506 PolarHBondContact O-N 3.07Å
503	S	96.7	Very high	96	Very high	57 Å²	57	68.8 Å²	68.8	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-44.3	178.9	-54.9	0	0	0	0	111.8	L499 I500 W501 D505 L506 I507	L499-S503 WeakPolarHBondContact O-CB 3.29Å; L499-S503 PolarHBondContact O-N 3.45Å; L499-S503 PolarHBondContact O-OG 2.98Å; I500-S503 PolarHBondContact O-N 2.93Å; W501-S503 VanDerWaalsContact C-N 3.27Å; W501-S503 PolarHBondContact O-N 2.81Å; S503-D505 VanDerWaalsContact C-N 3.34Å; S503-D505 PolarHBondContact O-N 3.33Å; S503-L506 PolarHBondContact O-N 2.84Å; S503-I507 WeakPolarHBondContact O-CB 3.5Å; S503-I507 WeakPolarHBondContact O-CD1 3.17Å; S503-I507 VanDerWaalsContact O-CG1 3.23Å; S503-I507 WeakPolarHBondContact O-CG1 3.23Å; S503-I507 PolarHBondContact O-N 3.47Å
504	A	96.4	Very high	96	Very high	20 Å²	20	69 Å²	69	17%	0.165	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-42.8	178.1	0	0	0	0	0	111.5	L169 I500 W501 I507 S508	L169-A504 HydrophobicContact CD2-CB 4.01Å; I500-A504 VanDerWaalsContact O-CB 3.27Å; I500-A504 WeakPolarHBondContact O-CB 3.25Å; I500-A504 PolarHBondContact O-N 3.16Å; W501-A504 PolarHBondContact O-N 2.98Å; A504-I507 PolarHBondContact O-N 3.05Å; A504-S508 WeakPolarHBondContact O-CB 3.35Å; A504-S508 PolarHBondContact O-N 2.79Å
505	D	96.3	Very high	96.1	Very high	21 Å²	21	67.4 Å²	67.4	11%	0.112	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-45.1	177.9	-75.8	9.5	0	0	0	111.9	H165 L169 Y207 W501 V502 S503 S508 F509	H165-D505 IonicContact CE1-OD1 3.85Å; L169-D505 WeakPolarHBondContact CD2-OD1 3.27Å; Y207-D505 WeakPolarHBondContact CA-OD2 3.28Å; Y207-D505 WeakPolarHBondContact CB-OD2 3.38Å; Y207-D505 HydrophobicContact CD1-CB 3.82Å; Y207-D505 VanDerWaalsContact CD1-OD1 3.31Å; Y207-D505 WeakPolarHBondContact CD1-OD1 3.3Å; Y207-D505 WeakPolarHBondContact CD1-OD2 3.32Å; Y207-D505 HydrophobicContact CE1-CB 3.9Å; Y207-D505 HydrophobicContact CG-CB 4.48Å; W501-D505 VanDerWaalsContact CD1-OD2 3.3Å; W501-D505 PolarHBondContact NE1-OD2 2.94Å; W501-D505 PolarHBondContact O-N 3.06Å; V502-D505 PolarHBondContact O-N 3.19Å; S503-D505 VanDerWaalsContact C-N 3.34Å; S503-D505 PolarHBondContact O-N 3.33Å; D505-S508 PolarHBondContact O-N 3.4Å; D505-F509 VanDerWaalsContact O-CB 3.29Å; D505-F509 WeakPolarHBondContact O-CB 3.33Å; D505-F509 PolarHBondContact O-N 3.04Å
506	L	97.5	Very high	96.1	Very high	110 Å²	110	60.4 Å²	60.4	58%	0.576	34%	0.335	S	S	*	.	H	α-helix	trans	-63.4	-42.7	177.2	-73.2	175	0	0	0	112.2	V502 S503 F509 A510	V502-L506 HydrophobicContact CG1-CD1 3.9Å; V502-L506 HydrophobicContact CG1-CG 4.34Å; V502-L506 WeakPolarHBondContact O-CB 3.45Å; V502-L506 VanDerWaalsContact O-CG 3.25Å; V502-L506 WeakPolarHBondContact O-CG 3.31Å; V502-L506 PolarHBondContact O-N 3.07Å; S503-L506 PolarHBondContact O-N 2.84Å; L506-F509 PolarHBondContact O-N 3.28Å; L506-A510 WeakPolarHBondContact O-CB 3.31Å; L506-A510 PolarHBondContact O-N 2.95Å
507	I	97.8	Very high	96	Very high	112 Å²	112	62.6 Å²	62.6	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-49.8	175.9	-71.3	163.4	0	0	0	110	S503 A504 F509 A510 V511	S503-I507 WeakPolarHBondContact O-CB 3.5Å; S503-I507 WeakPolarHBondContact O-CD1 3.17Å; S503-I507 VanDerWaalsContact O-CG1 3.23Å; S503-I507 WeakPolarHBondContact O-CG1 3.23Å; S503-I507 PolarHBondContact O-N 3.47Å; A504-I507 PolarHBondContact O-N 3.05Å; I507-F509 VanDerWaalsContact C-N 3.33Å; I507-F509 PolarHBondContact O-N 2.99Å; I507-A510 PolarHBondContact O-N 2.79Å; I507-V511 HydrophobicContact CG2-CG2 4.3Å; I507-V511 WeakPolarHBondContact O-CB 3.41Å; I507-V511 VanDerWaalsContact O-CG2 3.26Å; I507-V511 WeakPolarHBondContact O-CG2 3.3Å; I507-V511 PolarHBondContact O-N 3.21Å
508	S	97.9	Very high	95.9	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-55	-50.2	176.9	168.5	0	0	0	0	110.9	T173 Y207 A504 D505 A510 V511 V512	T173-S508 VanDerWaalsContact OG1-CB 3.31Å; T173-S508 WeakPolarHBondContact OG1-CB 3.09Å; T173-S508 PolarHBondContact OG1-OG 3.13Å; Y207-S508 PolarHBondContact OH-OG 2.92Å; A504-S508 WeakPolarHBondContact O-CB 3.35Å; A504-S508 PolarHBondContact O-N 2.79Å; D505-S508 PolarHBondContact O-N 3.4Å; S508-A510 PolarHBondContact O-N 2.83Å; S508-V511 PolarHBondContact O-N 2.76Å; S508-V512 WeakPolarHBondContact O-CB 3.17Å; S508-V512 VanDerWaalsContact O-CG2 3.26Å; S508-V512 WeakPolarHBondContact O-CG2 3.32Å; S508-V512 PolarHBondContact O-N 2.84Å
509	F	97.6	Very high	95.6	Very high	111 Å²	111	61.5 Å²	61.5	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-58.2	-48.1	-179.8	178.5	-102.7	0	0	0	112.4	Y207 D505 L506 I507 V511 V512 I513	Y207-F509 WeakPolarHBondContact OH-CA 3.05Å; Y207-F509 PolarHBondContact OH-N 3.17Å; Y207-F509 VanDerWaalsContact OH-N 3.16Å; D505-F509 VanDerWaalsContact O-CB 3.29Å; D505-F509 WeakPolarHBondContact O-CB 3.33Å; D505-F509 PolarHBondContact O-N 3.04Å; L506-F509 PolarHBondContact O-N 3.28Å; I507-F509 VanDerWaalsContact C-N 3.33Å; I507-F509 PolarHBondContact O-N 2.99Å; F509-V511 PolarHBondContact O-N 3.19Å; F509-V512 PolarHBondContact O-N 3.32Å; F509-I513 HydrophobicContact CD1-CD1 3.89Å; F509-I513 HydrophobicContact CD2-CD1 4.21Å; F509-I513 HydrophobicContact CE1-CD1 3.33Å; F509-I513 HydrophobicContact CE2-CD1 3.69Å; F509-I513 HydrophobicContact CE2-CG1 4.44Å; F509-I513 HydrophobicContact CG-CD1 4.32Å; F509-I513 HydrophobicContact CZ-CD1 3.23Å; F509-I513 HydrophobicContact CZ-CG1 4.4Å; F509-I513 WeakPolarHBondContact O-CG1 3.38Å; F509-I513 PolarHBondContact O-N 2.61Å
510	A	97.6	Very high	95.1	Very high	60 Å²	60	63.7 Å²	63.7	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-43.1	178.2	0	0	0	0	0	112	L506 I507 S508 G514	L506-A510 WeakPolarHBondContact O-CB 3.31Å; L506-A510 PolarHBondContact O-N 2.95Å; I507-A510 PolarHBondContact O-N 2.79Å; S508-A510 PolarHBondContact O-N 2.83Å; A510-G514 PolarHBondContact O-N 2.88Å
511	V	97.8	Very high	94.6	Very high	64 Å²	64	68.5 Å²	68.5	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-46.3	178.5	171.8	0	0	0	0	111.1	T173 I507 S508 F509 I513 G514 I515	T173-V511 HydrophobicContact CG2-CB 3.85Å; T173-V511 HydrophobicContact CG2-CG1 3.54Å; I507-V511 HydrophobicContact CG2-CG2 4.3Å; I507-V511 WeakPolarHBondContact O-CB 3.41Å; I507-V511 VanDerWaalsContact O-CG2 3.26Å; I507-V511 WeakPolarHBondContact O-CG2 3.3Å; I507-V511 PolarHBondContact O-N 3.21Å; S508-V511 PolarHBondContact O-N 2.76Å; F509-V511 PolarHBondContact O-N 3.19Å; V511-I513 PolarHBondContact O-N 3.19Å; V511-G514 PolarHBondContact O-N 2.84Å; V511-I515 HydrophobicContact CG1-CD1 3.71Å; V511-I515 HydrophobicContact CG1-CG1 4.37Å; V511-I515 WeakPolarHBondContact O-CB 3.1Å; V511-I515 VanDerWaalsContact O-CG1 3.29Å; V511-I515 WeakPolarHBondContact O-CG1 3.23Å; V511-I515 PolarHBondContact O-N 2.91Å
512	V	97.2	Very high	94	Very high	10 Å²	10	73.2 Å²	73.2	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-57.9	-49.9	177	170.2	0	0	0	0	110.3	T173 Y199 L203 S508 F509 G514 I515 F516	T173-V512 HydrophobicContact CG2-CG2 4.15Å; Y199-V512 HydrophobicContact CE1-CG1 3.95Å; Y199-V512 WeakPolarHBondContact OH-CG2 3.49Å; L203-V512 HydrophobicContact CD2-CG1 4.45Å; L203-V512 HydrophobicContact CD2-CG2 4.2Å; S508-V512 WeakPolarHBondContact O-CB 3.17Å; S508-V512 VanDerWaalsContact O-CG2 3.26Å; S508-V512 WeakPolarHBondContact O-CG2 3.32Å; S508-V512 PolarHBondContact O-N 2.84Å; F509-V512 PolarHBondContact O-N 3.32Å; V512-G514 VanDerWaalsContact C-N 3.35Å; V512-G514 PolarHBondContact O-N 3.47Å; V512-I515 PolarHBondContact O-N 2.88Å; V512-F516 HydrophobicContact CG1-CD2 3.93Å; V512-F516 HydrophobicContact CG1-CE2 3.99Å; V512-F516 WeakPolarHBondContact O-CD2 3.42Å; V512-F516 PolarHBondContact O-N 2.52Å
513	I	95.9	Very high	92.8	Very high	72 Å²	72	71.6 Å²	71.6	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-47.3	177.4	-72.6	178	0	0	0	111	F509 V511 I515 F516 I517	F509-I513 HydrophobicContact CD1-CD1 3.89Å; F509-I513 HydrophobicContact CD2-CD1 4.21Å; F509-I513 HydrophobicContact CE1-CD1 3.33Å; F509-I513 HydrophobicContact CE2-CD1 3.69Å; F509-I513 HydrophobicContact CE2-CG1 4.44Å; F509-I513 HydrophobicContact CG-CD1 4.32Å; F509-I513 HydrophobicContact CZ-CD1 3.23Å; F509-I513 HydrophobicContact CZ-CG1 4.4Å; F509-I513 WeakPolarHBondContact O-CG1 3.38Å; F509-I513 PolarHBondContact O-N 2.61Å; V511-I513 PolarHBondContact O-N 3.19Å; I513-I515 VanDerWaalsContact C-N 3.29Å; I513-I515 PolarHBondContact O-N 2.93Å; I513-F516 PolarHBondContact O-N 2.98Å; I513-I517 HydrophobicContact CG2-CG1 4.28Å; I513-I517 HydrophobicContact CG2-CD1 3.61Å; I513-I517 PolarHBondContact O-N 3.47Å; I513-I517 WeakPolarHBondContact O-CG1 3.4Å
514	G	95.6	Very high	91.3	Very high	36 Å²	36	72.7 Å²	72.7	37%	0.371	37%	0.373	S	S	.	.	H	α-helix	trans	-56.2	-43	177.5	0	0	0	0	0	112.5	A510 V511 V512 I517 L518	A510-G514 PolarHBondContact O-N 2.88Å; V511-G514 PolarHBondContact O-N 2.84Å; V512-G514 VanDerWaalsContact C-N 3.35Å; V512-G514 PolarHBondContact O-N 3.47Å; G514-I517 PolarHBondContact O-N 3.13Å; G514-L518 VanDerWaalsContact O-CB 3.24Å; G514-L518 WeakPolarHBondContact O-CB 3.39Å; G514-L518 PolarHBondContact O-N 3.44Å
515	I	95.4	Very high	89.4	Confident	25 Å²	25	73.4 Å²	73.4	13%	0.128	38%	0.382	C	S	.	.	H	α-helix	trans	-63.9	-45.9	177.4	-73.9	170.9	0	0	0	111.6	S176 W177 A180 V511 V512 I513 L518 Q519	S176-I515 WeakPolarHBondContact OG-CD1 3.27Å; W177-I515 HydrophobicContact CB-CG2 4.31Å; W177-I515 HydrophobicContact CE3-CG1 4.12Å; W177-I515 HydrophobicContact CE3-CG2 3.88Å; A180-I515 HydrophobicContact CB-CG2 3.94Å; V511-I515 HydrophobicContact CG1-CD1 3.71Å; V511-I515 HydrophobicContact CG1-CG1 4.37Å; V511-I515 WeakPolarHBondContact O-CB 3.1Å; V511-I515 VanDerWaalsContact O-CG1 3.29Å; V511-I515 WeakPolarHBondContact O-CG1 3.23Å; V511-I515 PolarHBondContact O-N 2.91Å; V512-I515 PolarHBondContact O-N 2.88Å; I513-I515 VanDerWaalsContact C-N 3.29Å; I513-I515 PolarHBondContact O-N 2.93Å; I515-L518 PolarHBondContact O-N 3.37Å; I515-Q519 WeakPolarHBondContact O-CB 2.96Å; I515-Q519 WeakPolarHBondContact O-CG 3.32Å; I515-Q519 PolarHBondContact O-N 3.18Å
516	F	94.1	Very high	87.6	Confident	52 Å²	52	77 Å²	77	23%	0.228	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-41	178	-89.3	-96	0	0	0	112.2	V179 A180 V196 Y199 V512 I513 K520	V179-F516 HydrophobicContact CG1-CZ 4Å; A180-F516 HydrophobicContact CB-CD1 3.9Å; A180-F516 HydrophobicContact CB-CD2 3.88Å; A180-F516 HydrophobicContact CB-CE1 3.97Å; A180-F516 HydrophobicContact CB-CE2 3.97Å; A180-F516 HydrophobicContact CB-CG 3.87Å; A180-F516 HydrophobicContact CB-CZ 4.02Å; V196-F516 HydrophobicContact CG2-CE1 4.13Å; Y199-F516 HydrophobicContact CE1-CE2 4.37Å; V512-F516 HydrophobicContact CG1-CD2 3.93Å; V512-F516 HydrophobicContact CG1-CE2 3.99Å; V512-F516 WeakPolarHBondContact O-CD2 3.42Å; V512-F516 PolarHBondContact O-N 2.52Å; I513-F516 PolarHBondContact O-N 2.98Å; F516-K520 PolarHBondContact O-N 3.03Å; F516-K520 WeakPolarHBondContact O-CB 3.44Å
517	I	92.1	Very high	85.3	Confident	110 Å²	110	79.6 Å²	79.6	56%	0.564	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-47.9	175.2	-67.8	171.3	0	0	0	110.6	I513 G514 Q519 K520 Y521	I513-I517 HydrophobicContact CG2-CG1 4.28Å; I513-I517 HydrophobicContact CG2-CD1 3.61Å; I513-I517 PolarHBondContact O-N 3.47Å; I513-I517 WeakPolarHBondContact O-CG1 3.4Å; G514-I517 PolarHBondContact O-N 3.13Å; I517-Q519 PolarHBondContact O-N 3.18Å; I517-K520 WeakPolarHBondContact O-CB 3.4Å; I517-K520 PolarHBondContact O-N 3.13Å; I517-Y521 PolarHBondContact O-N 3.15Å
518	L	92.1	Very high	82.7	Confident	92 Å²	92	78.1 Å²	78.1	48%	0.482	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-44	-179.2	-178.7	63.4	0	0	0	111.9	W177 G514 I515 Y521 R522	W177-L518 HydrophobicContact CH2-CD2 4.19Å; W177-L518 HydrophobicContact CZ3-CD2 3.94Å; G514-L518 VanDerWaalsContact O-CB 3.24Å; G514-L518 WeakPolarHBondContact O-CB 3.39Å; G514-L518 PolarHBondContact O-N 3.44Å; I515-L518 PolarHBondContact O-N 3.37Å; L518-Y521 PolarHBondContact O-N 2.95Å; L518-R522 WeakPolarHBondContact O-CB 3.28Å; L518-R522 PolarHBondContact O-N 2.97Å
519	Q	88.5	Confident	80.1	Confident	15 Å²	15	86.7 Å²	86.7	7%	0.07	44%	0.436	C	S	.	.	H	α-helix	trans	-64	-40.7	176.1	-78.6	-75.7	19.1	0	0	112.1	A180 I515 I517 R522 M523	A180-Q519 HydrophobicContact CB-CB 4.14Å; A180-Q519 HydrophobicContact CB-CG 3.89Å; I515-Q519 WeakPolarHBondContact O-CB 2.96Å; I515-Q519 WeakPolarHBondContact O-CG 3.32Å; I515-Q519 PolarHBondContact O-N 3.18Å; I517-Q519 PolarHBondContact O-N 3.18Å; Q519-R522 PolarHBondContact O-N 2.92Å; Q519-M523 PolarHBondContact O-N 3.16Å; Q519-M523 VanDerWaalsContact O-N 3.07Å
520	K	85.1	Confident	77.3	Confident	164 Å²	164	84.7 Å²	84.7	71%	0.713	43%	0.43	S	S	*	.	H	α-helix	trans	-60.3	-45.9	174.6	-174.8	-179.1	179.5	-177.9	0	111.3	F516 I517 S524	F516-K520 PolarHBondContact O-N 3.03Å; F516-K520 WeakPolarHBondContact O-CB 3.44Å; I517-K520 WeakPolarHBondContact O-CB 3.4Å; I517-K520 PolarHBondContact O-N 3.13Å; K520-S524 WeakPolarHBondContact O-CB 3.44Å; K520-S524 PolarHBondContact O-N 3.4Å
521	Y	84.5	Confident	75	Confident	182 Å²	182	86.1 Å²	86.1	71%	0.714	43%	0.434	S	S	*	.	H	α-helix	trans	-63.7	-47.9	178.1	-172.9	-96.7	0	0	0	112	I517 L518 M523 S524 G525	I517-Y521 PolarHBondContact O-N 3.15Å; L518-Y521 PolarHBondContact O-N 2.95Å; Y521-M523 VanDerWaalsContact C-N 3.3Å; Y521-M523 PolarHBondContact O-N 3.23Å; Y521-S524 PolarHBondContact O-N 2.93Å; Y521-G525 PolarHBondContact O-N 3.45Å
522	R	82.3	Confident	72.5	Confident	144 Å²	144	89.5 Å²	89.5	54%	0.543	45%	0.446	S	S	.	.	H	α-helix	trans	-56.1	-42.4	178.9	-173.1	178.8	178	174	1.8	112.4	L518 Q519 I526	L518-R522 WeakPolarHBondContact O-CB 3.28Å; L518-R522 PolarHBondContact O-N 2.97Å; Q519-R522 PolarHBondContact O-N 2.92Å; R522-I526 WeakPolarHBondContact O-CG1 3.43Å; R522-I526 PolarHBondContact O-N 3.09Å
523	M	70.1	Confident	70	Confident	44 Å²	44	94.8 Å²	94.8	22%	0.217	47%	0.47	C	S	.	.	H	α-helix	trans	-78.7	-30.9	179	-70.8	-62.1	-65.8	0	0	113.3	A184 R185 Q519 Y521 G525 I526 R527	A184-M523 HydrophobicContact CB-CB 4.41Å; A184-M523 HydrophobicContact CB-CG 3.78Å; R185-M523 HydrophobicContact CG-CE 4.29Å; Q519-M523 PolarHBondContact O-N 3.16Å; Q519-M523 VanDerWaalsContact O-N 3.07Å; Y521-M523 VanDerWaalsContact C-N 3.3Å; Y521-M523 PolarHBondContact O-N 3.23Å; M523-G525 VanDerWaalsContact C-N 3.32Å; M523-I526 HydrophobicContact SD-CD1 3.97Å; M523-I526 PolarHBondContact O-N 3.36Å; M523-R527 PolarHBondContact O-N 2.79Å
524	S	65.3	Low	67.6	Low	79 Å²	79	95.9 Å²	95.9	55%	0.552	48%	0.476	S	S	*	.	H	α-helix	trans	-62.3	-40.3	172.3	-164.1	0	0	0	0	111.5	K520 Y521 R527 S528	K520-S524 WeakPolarHBondContact O-CB 3.44Å; K520-S524 PolarHBondContact O-N 3.4Å; Y521-S524 PolarHBondContact O-N 2.93Å; S524-R527 PolarHBondContact O-N 3.49Å; S524-S528 PolarHBondContact O-N 3.18Å; S524-S528 VanDerWaalsContact O-N 3.14Å; S524-S528 PolarHBondContact O-OG 3.07Å
525	G	57.8	Low	65.2	Low	35 Å²	35	101.2 Å²	101.2	36%	0.361	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-34	175.1	0	0	0	0	0	113.9	Y521 M523 S528 Y529	Y521-G525 PolarHBondContact O-N 3.45Å; M523-G525 VanDerWaalsContact C-N 3.32Å; G525-S528 VanDerWaalsContact C-OG 3.32Å; G525-S528 WeakPolarHBondContact CA-OG 3.41Å; G525-S528 PolarHBondContact O-OG 3.26Å; G525-Y529 PolarHBondContact O-N 3.33Å
526	I	56.7	Low	62.7	Low	96 Å²	96	105.6 Å²	105.6	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-72.4	-39.9	175.3	-66.5	165.8	0	0	0	111	R522 M523 S528 Y529	R522-I526 WeakPolarHBondContact O-CG1 3.43Å; R522-I526 PolarHBondContact O-N 3.09Å; M523-I526 HydrophobicContact SD-CD1 3.97Å; M523-I526 PolarHBondContact O-N 3.36Å; I526-S528 PolarHBondContact O-N 3.16Å; I526-S528 VanDerWaalsContact C-N 3.3Å; I526-Y529 CarbonylContact O-C 3.6Å; I526-Y529 PolarHBondContact O-N 2.76Å; I526-Y529 WeakPolarHBondContact O-CA 3.4Å
527	R	50.7	Low	60.2	Low	165 Å²	165	106.5 Å²	106.5	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-30.3	175.9	-79.4	-176.8	-179.6	173.3	1.7	113	M523 S524 Y529	M523-R527 PolarHBondContact O-N 2.79Å; S524-R527 PolarHBondContact O-N 3.49Å; R527-Y529 PolarHBondContact O-N 3.25Å
528	S	43.4	Very low	58.1	Low	82 Å²	82	104.1 Å²	104.1	57%	0.573	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.1	170.8	50.2	0	0	0	0	114.1	S524 G525 I526	S524-S528 PolarHBondContact O-N 3.18Å; S524-S528 VanDerWaalsContact O-N 3.14Å; S524-S528 PolarHBondContact O-OG 3.07Å; G525-S528 VanDerWaalsContact C-OG 3.32Å; G525-S528 WeakPolarHBondContact CA-OG 3.41Å; G525-S528 PolarHBondContact O-OG 3.26Å; I526-S528 PolarHBondContact O-N 3.16Å; I526-S528 VanDerWaalsContact C-N 3.3Å
529	Y	42.8	Very low	55.8	Low	182 Å²	182	102.8 Å²	102.8	71%	0.714	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	39.7	177.9	-112	-88.1	0	0	0	111.2	G525 I526 R527 P531	G525-Y529 PolarHBondContact O-N 3.33Å; I526-Y529 CarbonylContact O-C 3.6Å; I526-Y529 PolarHBondContact O-N 2.76Å; I526-Y529 WeakPolarHBondContact O-CA 3.4Å; R527-Y529 PolarHBondContact O-N 3.25Å; Y529-P531 VanDerWaalsContact O-CD 3.23Å; Y529-P531 WeakPolarHBondContact O-CD 3.28Å
530	N	39.1	Very low	53.7	Low	69 Å²	69	108.1 Å²	108.1	37%	0.369	56%	0.561	S	S	.	*			trans	-78.4	113.2	175.1	-165	-2.7	0	0	0	109.6	E532 Q533 I534	N530-E532 PolarHBondContact O-N 3.05Å; N530-E532 VanDerWaalsContact O-N 3.14Å; N530-Q533 HydrophobicContact CB-CB 4.42Å; N530-Q533 WeakPolarHBondContact O-CB 3.5Å; N530-Q533 PolarHBondContact O-N 3.32Å; N530-I534 PolarHBondContact O-N 3.19Å
531	P	48.5	Very low	51.5	Low	91 Å²	91	111.2 Å²	111.2	59%	0.591	57%	0.568	S	S	*	*	H	α-helix	trans	-61.2	-23.8	-178.1	23.1	-32.5	0	0	0	112.8	Y529 Q533 I534 M535	Y529-P531 VanDerWaalsContact O-CD 3.23Å; Y529-P531 WeakPolarHBondContact O-CD 3.28Å; P531-Q533 PolarHBondContact O-N 3.38Å; P531-Q533 VanDerWaalsContact C-N 3.32Å; P531-I534 PolarHBondContact O-N 3.08Å; P531-M535 WeakPolarHBondContact O-CB 3.41Å; P531-M535 PolarHBondContact O-N 3.18Å
532	E	46	Very low	49.4	Very low	134 Å²	134	107.8 Å²	107.8	63%	0.626	57%	0.566	S	S	*	*	H	α-helix	trans	-66	-33.2	173.1	-67	-173.4	165	0	0	112.6	N530 M535 L536	N530-E532 PolarHBondContact O-N 3.05Å; N530-E532 VanDerWaalsContact O-N 3.14Å; E532-M535 PolarHBondContact O-N 2.83Å; E532-L536 WeakPolarHBondContact O-CB 3.48Å; E532-L536 WeakPolarHBondContact O-CD1 3.44Å; E532-L536 WeakPolarHBondContact O-CG 3.41Å; E532-L536 PolarHBondContact O-N 3.47Å
533	Q	43.7	Very low	47.4	Very low	121 Å²	121	105.1 Å²	105.1	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-73.5	-32	175.2	-116.4	176.7	-18.5	0	0	112	N530 P531 S537	N530-Q533 HydrophobicContact CB-CB 4.42Å; N530-Q533 WeakPolarHBondContact O-CB 3.5Å; N530-Q533 PolarHBondContact O-N 3.32Å; P531-Q533 PolarHBondContact O-N 3.38Å; P531-Q533 VanDerWaalsContact C-N 3.32Å; Q533-S537 PolarHBondContact O-OG 3.01Å; Q533-S537 WeakPolarHBondContact O-CB 3.19Å; Q533-S537 VanDerWaalsContact O-CB 3.27Å; Q533-S537 PolarHBondContact O-N 3.13Å
534	I	46.7	Very low	46.3	Very low	96 Å²	96	108.2 Å²	108.2	49%	0.492	60%	0.596	S	S	.	*	H	α-helix	trans	-71.4	-39.9	171.7	-64.7	164.4	0	0	0	110.3	N530 P531 S537 A538	N530-I534 PolarHBondContact O-N 3.19Å; P531-I534 PolarHBondContact O-N 3.08Å; I534-S537 WeakPolarHBondContact CA-OG 3.26Å; I534-S537 PolarHBondContact O-OG 3.23Å; I534-S537 VanDerWaalsContact O-OG 3.13Å; I534-A538 WeakPolarHBondContact O-CB 3.39Å; I534-A538 PolarHBondContact O-N 2.98Å
535	M	43.8	Very low	45.1	Very low	147 Å²	147	114.6 Å²	114.6	72%	0.724	61%	0.608	S	S	*	*	H	α-helix	trans	-66.2	-41.7	175.5	-118.3	-178.6	65.8	0	0	112.3	P531 E532 A538 A539	P531-M535 WeakPolarHBondContact O-CB 3.41Å; P531-M535 PolarHBondContact O-N 3.18Å; E532-M535 PolarHBondContact O-N 2.83Å; M535-A538 PolarHBondContact O-N 2.77Å; M535-A539 VanDerWaalsContact O-CB 3.27Å; M535-A539 WeakPolarHBondContact O-CB 3.08Å; M535-A539 PolarHBondContact O-N 2.91Å
536	L	42.8	Very low	44.4	Very low	117 Å²	117	119.2 Å²	119.2	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-39.6	176.4	-81.9	157.8	0	0	0	112.1	E532 A539 V540	E532-L536 WeakPolarHBondContact O-CB 3.48Å; E532-L536 WeakPolarHBondContact O-CD1 3.44Å; E532-L536 WeakPolarHBondContact O-CG 3.41Å; E532-L536 PolarHBondContact O-N 3.47Å; L536-A539 PolarHBondContact O-N 3.2Å; L536-V540 WeakPolarHBondContact O-CB 3.38Å; L536-V540 WeakPolarHBondContact O-CG2 3.34Å; L536-V540 PolarHBondContact O-N 2.95Å; L536-V540 VanDerWaalsContact O-N 3.1Å
537	S	43.3	Very low	43.7	Very low	72 Å²	72	120.9 Å²	120.9	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-72.6	-28.5	175.7	56	0	0	0	0	113.4	Q533 I534	Q533-S537 PolarHBondContact O-OG 3.01Å; Q533-S537 WeakPolarHBondContact O-CB 3.19Å; Q533-S537 VanDerWaalsContact O-CB 3.27Å; Q533-S537 PolarHBondContact O-N 3.13Å; I534-S537 WeakPolarHBondContact CA-OG 3.26Å; I534-S537 PolarHBondContact O-OG 3.23Å; I534-S537 VanDerWaalsContact O-OG 3.13Å
538	A	46.4	Very low	43	Very low	60 Å²	60	119.1 Å²	119.1	50%	0.496	64%	0.636	S	S	.	*	H	α-helix	trans	-73.4	-40.1	170.8	0	0	0	0	0	112.4	I534 M535 V540 R541	I534-A538 WeakPolarHBondContact O-CB 3.39Å; I534-A538 PolarHBondContact O-N 2.98Å; M535-A538 PolarHBondContact O-N 2.77Å; A538-V540 VanDerWaalsContact C-N 3.33Å; A538-V540 PolarHBondContact O-N 2.77Å; A538-R541 PolarHBondContact O-N 3.22Å
539	A	43.7	Very low	42.8	Very low	64 Å²	64	120.2 Å²	120.2	53%	0.529	64%	0.639	S	S	.	*	H	α-helix	trans	-69.6	-27.6	178.1	0	0	0	0	0	113.3	M535 L536 R541 T542	M535-A539 VanDerWaalsContact O-CB 3.27Å; M535-A539 WeakPolarHBondContact O-CB 3.08Å; M535-A539 PolarHBondContact O-N 2.91Å; L536-A539 PolarHBondContact O-N 3.2Å; A539-R541 VanDerWaalsContact C-N 3.27Å; A539-R541 PolarHBondContact O-N 3.16Å; A539-T542 PolarHBondContact O-OG1 3.49Å
540	V	45	Very low	42.5	Very low	127 Å²	127	119.3 Å²	119.3	77%	0.77	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-13.8	176.5	171.5	0	0	0	0	112.4	L536 A538	L536-V540 WeakPolarHBondContact O-CB 3.38Å; L536-V540 WeakPolarHBondContact O-CG2 3.34Å; L536-V540 PolarHBondContact O-N 2.95Å; L536-V540 VanDerWaalsContact O-N 3.1Å; A538-V540 VanDerWaalsContact C-N 3.33Å; A538-V540 PolarHBondContact O-N 2.77Å
541	R	39.9	Very low	42.3	Very low	228 Å²	228	124.2 Å²	124.2	86%	0.86	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-5.4	179.2	-98.5	-176.3	-174.2	-178.3	3.2	115.7	A538 A539	A538-R541 PolarHBondContact O-N 3.22Å; A539-R541 VanDerWaalsContact C-N 3.27Å; A539-R541 PolarHBondContact O-N 3.16Å
542	T	40.6	Very low	41.8	Very low	110 Å²	110	127.7 Å²	127.7	68%	0.675	67%	0.669	S	S	*	*	S	Bend	trans	-89.9	110.2	172.4	38.3	0	0	0	0	110.4	A539	A539-T542 PolarHBondContact O-OG1 3.49Å
543	S	40.1	Very low	41.3	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	68%	0.679	S	S	*	*			trans	-57.5	146.7	177.6	85.2	0	0	0	0	111.7	R545	S543-R545 PolarHBondContact O-N 3.35Å
544	S	45.4	Very low	41.1	Very low	109 Å²	109	132.1 Å²	132.1	76%	0.762	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	24.5	-171	79	0	0	0	0	115.9
545	R	40.3	Very low	40.8	Very low	212 Å²	212	133.8 Å²	133.8	80%	0.8	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-21.3	-176.3	-121.9	175.4	177.8	168.7	-1.2	114.5	S543	S543-R545 PolarHBondContact O-N 3.35Å
546	D	43	Very low	40.8	Very low	132 Å²	132	136.1 Å²	136.1	71%	0.706	71%	0.706	S	S	*	*	S	Bend	trans	-95.2	-4.9	-176.4	-72.5	-31.2	0	0	0	115.2
547	I	42.1	Very low	40.6	Very low	132 Å²	132	136.4 Å²	136.4	68%	0.677	72%	0.718	S	S	*	*	S	Bend	trans	-80	-19.2	-178.8	-64.5	175.1	0	0	0	112.4
548	N	36.9	Very low	40.5	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	73%	0.731	S	S	*	*	S	Bend	trans	-87.5	-15	-179.9	-80.4	-12.4	0	0	0	114.6
549	V	39	Very low	39.8	Very low	104 Å²	104	144 Å²	144	63%	0.63	75%	0.751	S	S	*	*	S	Bend	trans	-83.2	-18.6	-178.6	-176.8	0	0	0	0	112.5
550	M	36.3	Very low	39.8	Very low	164 Å²	164	146.1 Å²	146.1	81%	0.808	76%	0.76	S	S	*	*	S	Bend	trans	-88.9	-12.6	179.4	-98.9	-174	-179.5	0	0	115.2
551	K	34.5	Very low	39.3	Very low	171 Å²	171	153.2 Å²	153.2	74%	0.743	78%	0.784	S	S	*	*	S	Bend	trans	-83.8	-19.2	177.7	-90.9	-174.9	174.6	179.9	0	114.2
552	E	38	Very low	39.3	Very low	164 Å²	164	149.5 Å²	149.5	77%	0.766	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-89	-14.7	-175.9	-99.4	-179.5	165.9	0	0	115
553	K	36.8	Very low	39.2	Very low	191 Å²	191	151.5 Å²	151.5	83%	0.83	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-92.7	7.7	-177.2	-80.8	-165.6	175.4	-174.1	0	116.2
554	L	39.3	Very low	39.1	Very low	158 Å²	158	155 Å²	155	83%	0.827	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-112	8.1	-179.3	-80.8	164.9	0	0	0	115
555	I	40.5	Very low	38.8	Very low	130 Å²	130	157.7 Å²	157.7	67%	0.667	80%	0.797	S	S	*	*	S	Bend	trans	-101.9	-12.6	-178.1	-61.4	177.4	0	0	0	113.6
556	F	43.4	Very low	38.7	Very low	196 Å²	196	154.3 Å²	154.3	86%	0.86	80%	0.797	S	S	*	*	S	Bend	trans	-124.5	78.7	-179.3	-74.5	-80.2	0	0	0	113.3
557	S	37.6	Very low	38.4	Very low	123 Å²	123	155.8 Å²	155.8	86%	0.86	80%	0.803	S	S	*	*			trans	-173.5	54.1	146.6	66.7	0	0	0	0	111.7
558	A	42.2	Very low	38.1	Very low	93 Å²	93	157.5 Å²	157.5	77%	0.769	81%	0.812	S	S	*	*			trans	-124.6	104.5	162.8	0	0	0	0	0	107.5
559	Q	30.8	Very low	38.2	Very low	198 Å²	198	159.8 Å²	159.8	93%	0.925	82%	0.822	S	S	*	*			trans	-179.7	157.6	138.3	-97	-154.8	-26.7	0	0	111.5
560	P	44.7	Very low	38.1	Very low	109 Å²	109	164.4 Å²	164.4	71%	0.708	84%	0.838	S	S	*	*			trans	-116.2	161.9	-136.1	40.5	-30.7	0	0	0	114.2
561	Q	33.7	Very low	38.3	Very low	276 Å²	276	164.5 Å²	164.5	100%	1.29	84%	0.84	S	S	*	*			trans	-147.6	0	136.8	-87.8	-168.3	-5.5	0	0	109.3

Retrieved 561 of 561 residues in 814.9 ms (Link to these results)

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