A0A087YJF5_POEFO Loading...

Phenylalanine-4-hydroxylase

Catalyzes the hydroxylation of L-phenylalanine to L-tyrosine.

AlphaFold DB , UniProt , Accession A0A087YJF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	26.5	Very low	249 Å²	249	165 Å²	165	100%	1.227	88%	0.883	S	S	*	*				0	119.6	0	-84	-177.7	179.4	0	0	106.7
2	D	24.1	Very low	26.8	Very low	167 Å²	167	166.7 Å²	166.7	89%	0.893	88%	0.881	S	S	*	*			trans	-62.9	168.4	-172.5	-76.6	-53.5	0	0	0	115.7
3	A	25	Very low	26.7	Very low	91 Å²	91	162.9 Å²	162.9	75%	0.752	88%	0.877	S	S	*	*			trans	99.4	97.2	151.1	0	0	0	0	0	115.7
4	A	26.8	Very low	27.8	Very low	97 Å²	97	159.1 Å²	159.1	80%	0.802	87%	0.865	S	S	*	*				82.2	101.5	74.9	0	0	0	0	0	113
5	Y	26	Very low	27.7	Very low	239 Å²	239	160.1 Å²	160.1	94%	0.937	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-101.6	119	162	-108.4	-90.6	0	0	0	109.8
6	K	28.1	Very low	27.6	Very low	198 Å²	198	161.2 Å²	161.2	86%	0.861	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-71.7	140.2	174.2	-83.4	173.8	170.5	175.7	0	110.8
7	R	27.6	Very low	27.6	Very low	233 Å²	233	162.8 Å²	162.8	88%	0.879	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-69.6	145.5	160.7	-70.8	179	177.4	-179.5	-2.3	110.6
8	V	27.5	Very low	27.5	Very low	143 Å²	143	161.8 Å²	161.8	87%	0.867	86%	0.863	S	S	*	*			trans	-136.2	121.2	149.8	178.9	0	0	0	0	107.8
9	N	26.8	Very low	27.4	Very low	150 Å²	150	157.4 Å²	157.4	80%	0.802	86%	0.859	S	S	*	*			trans	-74.2	153.7	171.8	-84.8	-18.3	0	0	0	110.6
10	G	24.7	Very low	27.2	Very low	75 Å²	75	158.8 Å²	158.8	77%	0.773	86%	0.859	S	S	*	*			trans	-69.1	177.2	179.8	0	0	0	0	0	115.3
11	D	24.5	Very low	27.5	Very low	173 Å²	173	156.6 Å²	156.6	93%	0.925	85%	0.854	S	S	*	*			trans	-143.6	137.1	159.1	-125.3	-16.2	0	0	0	109.2
12	H	29.5	Very low	27.1	Very low	185 Å²	185	148 Å²	148	86%	0.856	83%	0.829	S	S	*	*			trans	-84.3	150.8	-179.3	-92.4	-34.9	0	0	0	111.6
13	S	25.6	Very low	27.2	Very low	118 Å²	118	147.2 Å²	147.2	83%	0.825	83%	0.83	S	S	*	*			trans	-157.2	154.6	144.2	-78.9	0	0	0	0	110.7
14	P	41.8	Very low	27.3	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	84%	0.835	S	S	*	*			trans	-111.1	-167.6	-152.7	37	-20.8	0	0	0	113.4
15	E	27	Very low	27.2	Very low	173 Å²	173	154.2 Å²	154.2	81%	0.808	84%	0.842	S	S	*	*			trans	105.2	135.7	175.9	-60.8	169.6	-173.7	0	0	113.2
16	E	25	Very low	27.2	Very low	178 Å²	178	154 Å²	154	83%	0.832	84%	0.84	S	S	*	*			cis	-165.4	157.6	6.1	-119.2	176.2	177.1	0	0	108.9
17	E	28.4	Very low	26.9	Very low	189 Å²	189	156.3 Å²	156.3	88%	0.883	84%	0.843	S	S	*	*			trans	-75.6	144.4	178	-71.2	178.4	142.5	0	0	113.8
18	T	25.9	Very low	26.7	Very low	145 Å²	145	151.9 Å²	151.9	89%	0.89	84%	0.837	S	S	*	*			trans	-152.1	127.4	146	40.9	0	0	0	0	111.3
19	G	24.6	Very low	26.7	Very low	77 Å²	77	150 Å²	150	79%	0.794	83%	0.83	S	S	*	*			trans	-77.5	171.6	167.8	0	0	0	0	0	111.9
20	E	24.5	Very low	26.5	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	83%	0.83	S	S	*	*			cis	-173.6	-166.2	27.5	-132.1	-166.3	-167.2	0	0	106.6
21	P	32.6	Very low	26.4	Very low	113 Å²	113	157.2 Å²	157.2	73%	0.734	84%	0.836	S	S	*	*				-121	167	-71.2	30.2	-9.5	0	0	0	114.7
22	G	23.6	Very low	26.3	Very low	69 Å²	69	158 Å²	158	71%	0.711	84%	0.835	S	S	*	*			trans	109	111.6	146.4	0	0	0	0	0	118.3
23	T	26.3	Very low	26	Very low	149 Å²	149	157.6 Å²	157.6	91%	0.914	83%	0.833	S	S	*	*				-172.6	123.6	119.8	30.9	0	0	0	0	109
24	G	26.6	Very low	26	Very low	84 Å²	84	157 Å²	157	87%	0.866	82%	0.82	S	S	*	*			trans	-64	135.3	-175.4	0	0	0	0	0	113
25	R	25.4	Very low	25.3	Very low	251 Å²	251	158.6 Å²	158.6	95%	0.947	83%	0.828	S	S	*	*			trans	-118.6	121.4	162.9	-121.9	174.8	-179.7	172.8	-0.4	109.2	R27	R25-R27 PolarHBondContact O-N 3.48Å
26	R	24.9	Very low	25.4	Very low	236 Å²	236	154.2 Å²	154.2	89%	0.891	82%	0.817	S	S	*	*			trans	-40.7	125.1	179.4	-75	168.3	168.3	169.9	-4.7	112.1	N28	R26-N28 PolarHBondContact O-N 2.76Å; R26-N28 VanDerWaalsContact O-N 3.11Å
27	R	22.7	Very low	25.8	Very low	246 Å²	246	155.7 Å²	155.7	93%	0.928	82%	0.815	S	S	*	*			trans	-50.6	109	155.8	-103.2	175.4	168.6	170.8	-3.5	108.1	R25	R25-R27 PolarHBondContact O-N 3.48Å
28	N	23.4	Very low	26.5	Very low	139 Å²	139	154.6 Å²	154.6	74%	0.743	81%	0.807	S	S	*	*			trans	-85.5	110.1	157.8	-97.3	1.8	0	0	0	107.1	R26 Y30	R26-N28 PolarHBondContact O-N 2.76Å; R26-N28 VanDerWaalsContact O-N 3.11Å; N28-Y30 PolarHBondContact O-N 2.92Å
29	S	26.2	Very low	27.4	Very low	104 Å²	104	152.3 Å²	152.3	73%	0.727	80%	0.797	S	S	*	*			trans	-67.6	103.5	166.6	52.1	0	0	0	0	109.5
30	Y	22.8	Very low	29.1	Very low	201 Å²	201	151.9 Å²	151.9	79%	0.788	77%	0.774	S	S	*	*			trans	-131.8	124.7	150.3	-75.7	-79.7	0	0	0	105.9	N28 E32	N28-Y30 PolarHBondContact O-N 2.92Å; Y30-E32 PolarHBondContact O-N 3.23Å
31	L	23.5	Very low	30.9	Very low	175 Å²	175	144.1 Å²	144.1	92%	0.916	74%	0.74	S	S	*	*			trans	-52.9	112.8	177.4	-71.5	146.9	0	0	0	107.7	E33	L31-E33 PolarHBondContact O-N 3.01Å
32	E	22.9	Very low	32.6	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	71%	0.706	S	S	*	*			trans	-57.2	97.2	157.2	-74.8	173.5	155.6	0	0	106	Y30 D34	Y30-E32 PolarHBondContact O-N 3.23Å; E32-D34 PolarHBondContact O-N 3.05Å; E32-D34 VanDerWaalsContact O-N 3.17Å
33	E	22.6	Very low	34.8	Very low	175 Å²	175	136 Å²	136	82%	0.818	67%	0.674	S	S	*	*			trans	-68.3	109.5	154.9	-100	-177.3	169.8	0	0	106	L31 T35	L31-E33 PolarHBondContact O-N 3.01Å; E33-T35 VanDerWaalsContact C-N 3.26Å; E33-T35 PolarHBondContact O-N 3.45Å
34	D	25.8	Very low	37	Very low	105 Å²	105	128.9 Å²	128.9	56%	0.561	63%	0.63	S	S	*	*			trans	-61.4	82.4	-177.6	-158.4	3.5	0	0	0	109.8	E32 S36	E32-D34 PolarHBondContact O-N 3.05Å; E32-D34 VanDerWaalsContact O-N 3.17Å; D34-S36 VanDerWaalsContact CG-OG 3.24Å; D34-S36 PolarHBondContact O-N 3.04Å; D34-S36 WeakPolarHBondContact OD1-CB 3.25Å; D34-S36 PolarHBondContact OD1-OG 3.23Å
35	T	27.5	Very low	39.1	Very low	144 Å²	144	125.3 Å²	125.3	88%	0.883	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	8.1	171.2	52.4	0	0	0	0	112.4	E33	E33-T35 VanDerWaalsContact C-N 3.26Å; E33-T35 PolarHBondContact O-N 3.45Å
36	S	28	Very low	41.4	Very low	81 Å²	81	113.5 Å²	113.5	57%	0.566	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.4	177.7	81.4	0	0	0	0	114.2	D34 K38	D34-S36 VanDerWaalsContact CG-OG 3.24Å; D34-S36 PolarHBondContact O-N 3.04Å; D34-S36 WeakPolarHBondContact OD1-CB 3.25Å; D34-S36 PolarHBondContact OD1-OG 3.23Å; S36-K38 PolarHBondContact O-N 2.87Å
37	R	33	Very low	43.7	Very low	210 Å²	210	103.4 Å²	103.4	79%	0.792	51%	0.512	S	S	*	.			trans	-77.9	74.8	174	-74.6	-173.4	-177.9	179.4	0.1	111.1	S39	R37-S39 PolarHBondContact O-N 3.04Å; R37-S39 PolarHBondContact O-OG 3.33Å
38	K	43.4	Very low	46.4	Very low	166 Å²	166	91.9 Å²	91.9	72%	0.722	47%	0.469	S	S	*	.			trans	-47.5	106.2	154.7	-67.9	178.4	-179.6	178.4	0	106.9	S36 E40	S36-K38 PolarHBondContact O-N 2.87Å; K38-E40 HydrophobicContact CB-CG 4.34Å; K38-E40 PolarHBondContact O-N 3.02Å
39	S	45.1	Very low	49.1	Very low	96 Å²	96	90.4 Å²	90.4	67%	0.671	46%	0.456	S	S	*	.			trans	-76.3	71.3	173.9	-55.8	0	0	0	0	107.4	R37	R37-S39 PolarHBondContact O-N 3.04Å; R37-S39 PolarHBondContact O-OG 3.33Å
40	E	59.6	Low	51.5	Low	68 Å²	68	90.9 Å²	90.9	32%	0.318	45%	0.447	S	S	.	.			trans	-63.9	135.4	165.5	-75.1	176.2	-158.9	0	0	107.1	K38 P92 N119	K38-E40 HydrophobicContact CB-CG 4.34Å; K38-E40 PolarHBondContact O-N 3.02Å; E40-P92 HydrophobicContact CB-CB 4.37Å; E40-P92 HydrophobicContact CB-CG 3.34Å; E40-P92 WeakPolarHBondContact O-CD 3.37Å; E40-P92 WeakPolarHBondContact O-CG 3.45Å; E40-N119 PolarHBondContact OE2-ND2 3.04Å
41	V	62.6	Low	54.3	Low	23 Å²	23	87.5 Å²	87.5	14%	0.139	44%	0.438	C	S	.	.			trans	-138.1	131.4	-176.3	-176.8	0	0	0	0	108.3
42	I	69.3	Low	57	Low	4 Å²	4	86.2 Å²	86.2	2%	0.021	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.3	170.5	-56.6	173.1	0	0	0	107.2	S89 V90 L98	I42-S89 CarbonylContact O-C 3.12Å; I42-S89 WeakPolarHBondContact O-CA 3.43Å; I42-V90 HydrophobicContact CB-CG2 3.87Å; I42-V90 HydrophobicContact CG2-CG2 4.46Å; I42-V90 PolarHBondContact N-O 3.17Å; I42-V90 PolarHBondContact O-N 2.92Å; I42-L98 HydrophobicContact CB-CD2 4.23Å; I42-L98 HydrophobicContact CG2-CD2 3.4Å; I42-L98 VanDerWaalsContact CG2-CD2 3.4Å
43	T	68.4	Low	59.8	Low	7 Å²	7	78.9 Å²	78.9	4%	0.043	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.6	178.4	-52.9	0	0	0	0	109.7	I45 I88 L116 W127	T43-I45 HydrophobicContact CG2-CD1 4.44Å; T43-I45 HydrophobicContact CG2-CG1 4.06Å; T43-I88 CarbonylContact C-O 3.53Å; T43-I88 VanDerWaalsContact CA-O 3.31Å; T43-I88 WeakPolarHBondContact CA-O 3.46Å; T43-L116 PolarHBondContact N-O 3.33Å; T43-L116 CarbonylContact O-C 3.51Å; T43-L116 WeakPolarHBondContact O-CA 3.32Å; T43-L116 WeakPolarHBondContact O-CB 3.4Å; T43-L116 PolarHBondContact O-N 3.02Å; T43-W127 PolarHBondContact OG1-NE1 3.45Å
44	C	73.8	Confident	62.6	Low	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.7	169	-175.2	0	0	0	0	109.2	I88 L98	C44-I88 PolarHBondContact N-O 2.91Å; C44-I88 PolarHBondContact O-N 2.79Å; C44-L98 HydrophobicContact CB-CD1 4.23Å
45	I	70.1	Confident	65.3	Low	10 Å²	10	69.1 Å²	69.1	5%	0.051	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125	177.2	-55	179.5	0	0	0	108.9	T43 F86 F87 H114 L116 K130	T43-I45 HydrophobicContact CG2-CD1 4.44Å; T43-I45 HydrophobicContact CG2-CG1 4.06Å; I45-F86 WeakPolarHBondContact CA-O 3.45Å; I45-F87 HydrophobicContact CD1-CD1 3.82Å; I45-F87 HydrophobicContact CD1-CE1 3.94Å; I45-F87 HydrophobicContact CG1-CD1 4Å; I45-F87 HydrophobicContact CG1-CE1 4.44Å; I45-F87 HydrophobicContact CG2-CD1 4.4Å; I45-F87 HydrophobicContact CG2-CE1 4.27Å; I45-H114 PolarHBondContact N-O 2.96Å; I45-H114 PolarHBondContact O-N 2.82Å; I45-L116 HydrophobicContact CD1-CD1 3.6Å; I45-L116 HydrophobicContact CG1-CD1 4.44Å; I45-K130 HydrophobicContact CD1-CD 4.13Å
46	F	74.3	Confident	68	Low	2 Å²	2	64.5 Å²	64.5	1%	0.009	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.6	173.7	61.5	-89.8	0	0	0	111.3	L48 A58 F62 F86 I88 L105 H112 V113	F46-L48 HydrophobicContact CD2-CD1 4.49Å; F46-L48 HydrophobicContact CD2-CD2 3.62Å; F46-L48 HydrophobicContact CD2-CG 3.82Å; F46-L48 HydrophobicContact CE2-CD1 3.88Å; F46-L48 HydrophobicContact CE2-CD2 3.74Å; F46-L48 HydrophobicContact CE2-CG 3.71Å; F46-A58 HydrophobicContact CE2-CB 3.76Å; F46-A58 HydrophobicContact CZ-CB 3.97Å; F46-F62 AromaticContact CE1-CE2 3.97Å; F46-F62 HydrophobicContact CE1-CE2 3.97Å; F46-F62 HydrophobicContact CE1-CZ 4.07Å; F46-F62 HydrophobicContact CZ-CE2 4.3Å; F46-F86 HydrophobicContact CD2-CB 4.3Å; F46-F86 HydrophobicContact CD2-CD2 4.38Å; F46-F86 HydrophobicContact CE1-CB 4.24Å; F46-F86 HydrophobicContact CE2-CB 3.87Å; F46-F86 AromaticContact CE2-CD2 3.96Å; F46-F86 HydrophobicContact CE2-CD2 3.96Å; F46-F86 HydrophobicContact CE2-CG 4.1Å; F46-F86 HydrophobicContact CZ-CB 3.84Å; F46-F86 HydrophobicContact CZ-CG 4.36Å; F46-F86 PolarHBondContact N-O 3.45Å; F46-F86 PolarHBondContact O-N 2.99Å; F46-I88 HydrophobicContact CE1-CD1 3.47Å; F46-I88 VanDerWaalsContact CE1-CD1 3.47Å; F46-I88 HydrophobicContact CE1-CG1 3.8Å; F46-I88 HydrophobicContact CZ-CD1 3.6Å; F46-I88 HydrophobicContact CZ-CG1 4.24Å; F46-L105 HydrophobicContact CD1-CD1 3.72Å; F46-L105 HydrophobicContact CD2-CD2 4.32Å; F46-L105 HydrophobicContact CE1-CD1 3.94Å; F46-L105 HydrophobicContact CE2-CD2 4.28Å; F46-L105 HydrophobicContact CG-CD1 4.17Å; F46-L105 HydrophobicContact CG-CD2 4.45Å; F46-L105 HydrophobicContact CZ-CD2 4.38Å; F46-H112 WeakPolarHBondContact CA-O 3.35Å; F46-V113 HydrophobicContact CB-CB 4.42Å; F46-V113 HydrophobicContact CB-CG1 4.29Å; F46-V113 HydrophobicContact CB-CG2 3.98Å
47	S	73.6	Confident	70.7	Confident	24 Å²	24	66.7 Å²	66.7	17%	0.168	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.8	177.2	-51	0	0	0	0	110.1	Y84	S47-Y84 WeakPolarHBondContact CA-O 3.11Å
48	L	79.3	Confident	73.2	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.9	175.6	-54.3	-177	0	0	0	110.8	F46 A54 L55 A58 E83 Y84 F86 I109	F46-L48 HydrophobicContact CD2-CD1 4.49Å; F46-L48 HydrophobicContact CD2-CD2 3.62Å; F46-L48 HydrophobicContact CD2-CG 3.82Å; F46-L48 HydrophobicContact CE2-CD1 3.88Å; F46-L48 HydrophobicContact CE2-CD2 3.74Å; F46-L48 HydrophobicContact CE2-CG 3.71Å; L48-A54 HydrophobicContact CD1-CB 4.37Å; L48-L55 HydrophobicContact CD1-CB 4.47Å; L48-L55 HydrophobicContact CD1-CD1 4.48Å; L48-A58 HydrophobicContact CD1-CB 3.78Å; L48-A58 HydrophobicContact CD2-CB 4.3Å; L48-E83 CarbonylContact O-C 3.6Å; L48-E83 WeakPolarHBondContact O-CA 3.4Å; L48-E83 VanDerWaalsContact O-CB 3.29Å; L48-E83 WeakPolarHBondContact O-CB 3.39Å; L48-E83 WeakPolarHBondContact O-CG 3.41Å; L48-Y84 PolarHBondContact N-O 2.9Å; L48-Y84 PolarHBondContact O-N 2.9Å; L48-F86 HydrophobicContact CB-CD2 4.31Å; L48-F86 HydrophobicContact CB-CE2 3.88Å; L48-F86 HydrophobicContact CD1-CD2 3.87Å; L48-F86 HydrophobicContact CD1-CE2 3.56Å; L48-F86 HydrophobicContact CD1-CZ 4.29Å; L48-F86 HydrophobicContact CG-CD2 3.76Å; L48-F86 HydrophobicContact CG-CE2 3.7Å; L48-I109 HydrophobicContact CD2-CB 4.41Å; L48-I109 HydrophobicContact CD2-CD1 4.04Å; L48-I109 HydrophobicContact CD2-CG2 3.23Å
49	K	79.2	Confident	75.2	Confident	107 Å²	107	50.8 Å²	50.8	47%	0.465	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	141.4	162.4	-73.4	178.8	-178.1	172.9	0	111	E51 A54 K82 E83	K49-E51 HydrophobicContact CB-CG 4.48Å; K49-E51 PolarHBondContact O-N 3.07Å; K49-A54 WeakPolarHBondContact O-CB 3.36Å; K49-K82 CarbonylContact C-O 3.57Å; K49-K82 WeakPolarHBondContact CA-O 3.29Å; K49-E83 HydrophobicContact CB-CG 4.33Å; K49-E83 HydrophobicContact CG-CG 3.7Å
50	E	77.3	Confident	77.3	Confident	114 Å²	114	53 Å²	53	53%	0.533	28%	0.276	S	S	.	.			trans	-69.9	97.8	176	-173.5	176.9	-157.9	0	0	108.9	K82 Y84	E50-K82 WeakPolarHBondContact CB-O 3.42Å; E50-K82 PolarHBondContact N-O 3.17Å; E50-Y84 HydrophobicContact CB-CD2 4.27Å; E50-Y84 HydrophobicContact CB-CE2 4.33Å; E50-Y84 HydrophobicContact CG-CD2 4.39Å; E50-Y84 HydrophobicContact CG-CE2 4.05Å
51	E	81.1	Confident	78.6	Confident	131 Å²	131	50.5 Å²	50.5	61%	0.612	27%	0.265	S	S	*	.			trans	-139.2	153.7	175.5	-61.8	-178.7	179.7	0	0	109.5	K49 G53 A54	K49-E51 HydrophobicContact CB-CG 4.48Å; K49-E51 PolarHBondContact O-N 3.07Å; E51-G53 PolarHBondContact O-N 3.32Å; E51-A54 HydrophobicContact CB-CB 4.23Å; E51-A54 WeakPolarHBondContact O-CB 3.35Å; E51-A54 PolarHBondContact O-N 3.15Å
52	V	80.8	Confident	79.9	Confident	148 Å²	148	49.4 Å²	49.4	90%	0.897	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	117.4	-179.9	179.5	0	0	0	0	109.7	A54	V52-A54 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 3.16Å
53	G	81.1	Confident	80.8	Confident	36 Å²	36	56.1 Å²	56.1	37%	0.371	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	8.2	178.9	0	0	0	0	0	115.4	E51 L55 A56 K57	E51-G53 PolarHBondContact O-N 3.32Å; G53-L55 PolarHBondContact O-N 3.3Å; G53-A56 PolarHBondContact O-N 2.76Å; G53-K57 VanDerWaalsContact O-CG 3.32Å; G53-K57 WeakPolarHBondContact O-CG 3.35Å; G53-K57 PolarHBondContact O-N 3.32Å
54	A	80.6	Confident	81.8	Confident	17 Å²	17	61.7 Å²	61.7	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-48.4	178.3	0	0	0	0	0	112.4	L48 K49 E51 V52 K57 A58	L48-A54 HydrophobicContact CD1-CB 4.37Å; K49-A54 WeakPolarHBondContact O-CB 3.36Å; E51-A54 HydrophobicContact CB-CB 4.23Å; E51-A54 WeakPolarHBondContact O-CB 3.35Å; E51-A54 PolarHBondContact O-N 3.15Å; V52-A54 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 2.84Å; A54-A58 PolarHBondContact O-N 3.32Å
55	L	82.8	Confident	82.3	Confident	59 Å²	59	64 Å²	64	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.4	178.6	57.5	0	0	0	111.7	L48 G53 K57 A58 L59 F86	L48-L55 HydrophobicContact CD1-CB 4.47Å; L48-L55 HydrophobicContact CD1-CD1 4.48Å; G53-L55 PolarHBondContact O-N 3.3Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 3.26Å; L55-A58 PolarHBondContact O-N 3.46Å; L55-L59 HydrophobicContact CD1-CD1 3.94Å; L55-L59 HydrophobicContact CD1-CD2 4.01Å; L55-L59 HydrophobicContact CD1-CG 3.71Å; L55-L59 HydrophobicContact CD2-CD1 4.36Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.05Å; L55-L59 WeakPolarHBondContact O-CG 3.19Å; L55-L59 PolarHBondContact O-N 2.86Å; L55-F86 HydrophobicContact CB-CE1 4.33Å; L55-F86 HydrophobicContact CB-CZ 4.1Å; L55-F86 HydrophobicContact CD1-CD1 3.5Å; L55-F86 VanDerWaalsContact CD1-CD1 3.5Å; L55-F86 HydrophobicContact CD1-CD2 4.48Å; L55-F86 HydrophobicContact CD1-CE1 3.24Å; L55-F86 HydrophobicContact CD1-CE2 4.28Å; L55-F86 HydrophobicContact CD1-CG 4.13Å; L55-F86 HydrophobicContact CD1-CZ 3.67Å; L55-F86 HydrophobicContact CD2-CD1 4.45Å; L55-F86 HydrophobicContact CD2-CE1 3.57Å; L55-F86 HydrophobicContact CD2-CZ 4.09Å; L55-F86 HydrophobicContact CG-CE1 3.87Å; L55-F86 HydrophobicContact CG-CZ 4.15Å
56	A	84.3	Confident	83	Confident	47 Å²	47	66.6 Å²	66.6	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-38.3	179.1	0	0	0	0	0	111.9	G53 R60	G53-A56 PolarHBondContact O-N 2.76Å; A56-R60 WeakPolarHBondContact O-CB 3.49Å; A56-R60 VanDerWaalsContact O-CG 3.25Å; A56-R60 WeakPolarHBondContact O-CG 3.36Å; A56-R60 PolarHBondContact O-N 2.85Å
57	K	85.3	Confident	83.6	Confident	126 Å²	126	67 Å²	67	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-43.2	173.2	-71.6	171.9	-176.9	176.9	0	111.7	G53 A54 L55	G53-K57 VanDerWaalsContact O-CG 3.32Å; G53-K57 WeakPolarHBondContact O-CG 3.35Å; G53-K57 PolarHBondContact O-N 3.32Å; A54-K57 PolarHBondContact O-N 2.84Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 3.26Å
58	A	84.4	Confident	84.1	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-65.8	-44.9	177.2	0	0	0	0	0	112.2	F46 L48 A54 L55 R60 L61 F62 L105 I109	F46-A58 HydrophobicContact CE2-CB 3.76Å; F46-A58 HydrophobicContact CZ-CB 3.97Å; L48-A58 HydrophobicContact CD1-CB 3.78Å; L48-A58 HydrophobicContact CD2-CB 4.3Å; A54-A58 PolarHBondContact O-N 3.32Å; L55-A58 PolarHBondContact O-N 3.46Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.37Å; A58-L61 WeakPolarHBondContact O-CB 3.44Å; A58-L61 PolarHBondContact O-N 2.71Å; A58-F62 WeakPolarHBondContact O-CD2 3.3Å; A58-L105 HydrophobicContact CB-CD2 4.06Å; A58-I109 HydrophobicContact CB-CD1 3.65Å
59	L	87.1	Confident	84.4	Confident	43 Å²	43	72.5 Å²	72.5	23%	0.225	39%	0.39	C	S	.	.	H	α-helix	trans	-67.7	-30.8	178.8	-62.6	-177.3	0	0	0	112.6	L55 L61 F62 E63 L69 I72 I88	L55-L59 HydrophobicContact CD1-CD1 3.94Å; L55-L59 HydrophobicContact CD1-CD2 4.01Å; L55-L59 HydrophobicContact CD1-CG 3.71Å; L55-L59 HydrophobicContact CD2-CD1 4.36Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.05Å; L55-L59 WeakPolarHBondContact O-CG 3.19Å; L55-L59 PolarHBondContact O-N 2.86Å; L59-L61 PolarHBondContact O-N 2.75Å; L59-F62 WeakPolarHBondContact O-CB 3.35Å; L59-F62 PolarHBondContact O-N 3.31Å; L59-E63 PolarHBondContact O-N 2.73Å; L59-L69 HydrophobicContact CD2-CD1 3.61Å; L59-I72 HydrophobicContact CD1-CD1 4.3Å; L59-I72 HydrophobicContact CD2-CD1 4.05Å; L59-I88 HydrophobicContact CD2-CD1 3.65Å
60	R	88.5	Confident	84.4	Confident	143 Å²	143	70.6 Å²	70.6	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-59.3	-34.1	172	-82.3	175.9	-163.2	175.8	3.3	112.5	A56 A58 F62 E63 D64	A56-R60 WeakPolarHBondContact O-CB 3.49Å; A56-R60 VanDerWaalsContact O-CG 3.25Å; A56-R60 WeakPolarHBondContact O-CG 3.36Å; A56-R60 PolarHBondContact O-N 2.85Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.37Å; R60-F62 PolarHBondContact O-N 3.25Å; R60-E63 PolarHBondContact O-N 2.98Å; R60-E63 VanDerWaalsContact O-N 3.15Å; R60-D64 VanDerWaalsContact O-CB 3.3Å; R60-D64 WeakPolarHBondContact O-CB 3.4Å; R60-D64 PolarHBondContact O-N 2.85Å
61	L	87.6	Confident	84.3	Confident	14 Å²	14	69.7 Å²	69.7	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-60.7	-37.7	175.2	-60.7	172.1	0	0	0	111.2	A58 L59 N65 V101 L105 I109	A58-L61 WeakPolarHBondContact O-CB 3.44Å; A58-L61 PolarHBondContact O-N 2.71Å; L59-L61 PolarHBondContact O-N 2.75Å; L61-N65 WeakPolarHBondContact O-CB 3.39Å; L61-N65 PolarHBondContact O-N 3.18Å; L61-N65 PolarHBondContact O-ND2 3.48Å; L61-V101 HydrophobicContact CB-CG1 4.11Å; L61-V101 WeakPolarHBondContact O-CG2 3.47Å; L61-L105 HydrophobicContact CD1-CD2 3.68Å; L61-L105 HydrophobicContact CD1-CG 3.92Å; L61-I109 HydrophobicContact CD1-CD1 4.2Å
62	F	89.4	Confident	84.2	Confident	1 Å²	1	67 Å²	67	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-70	-42.2	174.6	-66.8	-96.3	0	0	0	111.5	F46 A58 L59 R60 N65 G66 I67 L69 I88 V90 L98 V101 L105	F46-F62 AromaticContact CE1-CE2 3.97Å; F46-F62 HydrophobicContact CE1-CE2 3.97Å; F46-F62 HydrophobicContact CE1-CZ 4.07Å; F46-F62 HydrophobicContact CZ-CE2 4.3Å; A58-F62 WeakPolarHBondContact O-CD2 3.3Å; L59-F62 WeakPolarHBondContact O-CB 3.35Å; L59-F62 PolarHBondContact O-N 3.31Å; R60-F62 PolarHBondContact O-N 3.25Å; F62-N65 CarbonylContact O-C 3.5Å; F62-N65 PolarHBondContact O-N 3.27Å; F62-G66 PolarHBondContact O-N 2.8Å; F62-G66 VanDerWaalsContact O-N 3.16Å; F62-I67 HydrophobicContact CB-CB 4.25Å; F62-I67 HydrophobicContact CD1-CB 4.17Å; F62-I67 HydrophobicContact CD1-CD1 4.27Å; F62-I67 HydrophobicContact CD1-CG2 4.01Å; F62-I67 PolarHBondContact O-N 3.36Å; F62-L69 HydrophobicContact CB-CD1 4.4Å; F62-L69 HydrophobicContact CB-CD2 3.99Å; F62-L69 HydrophobicContact CB-CG 4.47Å; F62-L69 HydrophobicContact CD1-CD2 3.47Å; F62-L69 VanDerWaalsContact CD1-CD2 3.47Å; F62-L69 HydrophobicContact CE1-CD2 4.07Å; F62-L69 HydrophobicContact CG-CD1 4.45Å; F62-L69 HydrophobicContact CG-CD2 3.81Å; F62-I88 HydrophobicContact CD2-CD1 4.38Å; F62-I88 HydrophobicContact CE1-CG2 3.96Å; F62-I88 HydrophobicContact CE2-CD1 3.77Å; F62-I88 HydrophobicContact CZ-CB 4.42Å; F62-I88 HydrophobicContact CZ-CD1 3.89Å; F62-I88 HydrophobicContact CZ-CG2 4.12Å; F62-V90 HydrophobicContact CD1-CG1 4.36Å; F62-V90 HydrophobicContact CE1-CG1 4.23Å; F62-L98 HydrophobicContact CD1-CD1 4.36Å; F62-L98 HydrophobicContact CE1-CD1 3.57Å; F62-L98 HydrophobicContact CZ-CD1 4.36Å; F62-V101 HydrophobicContact CD1-CG1 3.99Å; F62-V101 HydrophobicContact CD2-CG1 3.86Å; F62-V101 HydrophobicContact CE1-CG1 3.79Å; F62-V101 HydrophobicContact CE2-CG1 3.61Å; F62-V101 HydrophobicContact CG-CG1 4.04Å; F62-V101 HydrophobicContact CZ-CG1 3.58Å; F62-L105 HydrophobicContact CE2-CD1 4.11Å; F62-L105 HydrophobicContact CZ-CD1 4.15Å
63	E	88.4	Confident	83.9	Confident	144 Å²	144	61.8 Å²	61.8	67%	0.673	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-47.9	176.6	-174.2	178.5	-170.5	0	0	112.3	L59 R60 N65 G66	L59-E63 PolarHBondContact O-N 2.73Å; R60-E63 PolarHBondContact O-N 2.98Å; R60-E63 VanDerWaalsContact O-N 3.15Å; E63-N65 PolarHBondContact O-N 3.26Å; E63-G66 PolarHBondContact O-N 3.2Å
64	D	88.4	Confident	83.6	Confident	125 Å²	125	62.5 Å²	62.5	67%	0.668	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-28.4	179.7	-68.4	-22.8	0	0	0	111.7	R60	R60-D64 VanDerWaalsContact O-CB 3.3Å; R60-D64 WeakPolarHBondContact O-CB 3.4Å; R60-D64 PolarHBondContact O-N 2.85Å
65	N	85.6	Confident	82.9	Confident	47 Å²	47	68 Å²	68	25%	0.251	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	8.5	176	-73.4	-79.7	0	0	0	113.3	L61 F62 E63 I67 A97 E100 V101	L61-N65 WeakPolarHBondContact O-CB 3.39Å; L61-N65 PolarHBondContact O-N 3.18Å; L61-N65 PolarHBondContact O-ND2 3.48Å; F62-N65 CarbonylContact O-C 3.5Å; F62-N65 PolarHBondContact O-N 3.27Å; E63-N65 PolarHBondContact O-N 3.26Å; N65-I67 HydrophobicContact CB-CD1 4.19Å; N65-I67 HydrophobicContact CB-CG1 4.05Å; N65-I67 PolarHBondContact O-N 3.33Å; N65-A97 HydrophobicContact CB-CB 4.46Å; N65-E100 PolarHBondContact OD1-OE2 3.21Å; N65-V101 HydrophobicContact CB-CG2 3.67Å; N65-V101 WeakPolarHBondContact ND2-CG2 3.5Å
66	G	84.9	Confident	82.2	Confident	66 Å²	66	68.9 Å²	68.9	68%	0.68	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	24.1	177.3	0	0	0	0	0	114.4	F62 E63	F62-G66 PolarHBondContact O-N 2.8Å; F62-G66 VanDerWaalsContact O-N 3.16Å; E63-G66 PolarHBondContact O-N 3.2Å
67	I	86.3	Confident	81.1	Confident	9 Å²	9	67.1 Å²	67.1	5%	0.046	35%	0.349	C	S	.	.			trans	-90.9	117.3	-176.8	-54.1	-176.3	0	0	0	110	F62 N65 L69 V90 C94 A97 L98 V101	F62-I67 HydrophobicContact CB-CB 4.25Å; F62-I67 HydrophobicContact CD1-CB 4.17Å; F62-I67 HydrophobicContact CD1-CD1 4.27Å; F62-I67 HydrophobicContact CD1-CG2 4.01Å; F62-I67 PolarHBondContact O-N 3.36Å; N65-I67 HydrophobicContact CB-CD1 4.19Å; N65-I67 HydrophobicContact CB-CG1 4.05Å; N65-I67 PolarHBondContact O-N 3.33Å; I67-L69 HydrophobicContact CG2-CD2 4.31Å; I67-V90 HydrophobicContact CG2-CB 3.9Å; I67-V90 HydrophobicContact CG2-CG1 3.6Å; I67-C94 HydrophobicContact CD1-CB 4.44Å; I67-C94 HydrophobicContact CG1-CB 4.18Å; I67-C94 HydrophobicContact CG2-CB 3.87Å; I67-A97 HydrophobicContact CD1-CB 3.79Å; I67-A97 HydrophobicContact CG1-CB 3.94Å; I67-L98 HydrophobicContact CD1-CB 4.25Å; I67-L98 HydrophobicContact CD1-CD1 4.35Å; I67-V101 HydrophobicContact CD1-CB 4.44Å; I67-V101 HydrophobicContact CD1-CG2 3.69Å
68	N	84.3	Confident	79.4	Confident	107 Å²	107	68.8 Å²	68.8	57%	0.572	35%	0.352	S	S	*	.			trans	-78.7	138	171.5	-169.7	37.6	0	0	0	111.2
69	L	85.3	Confident	77.6	Confident	38 Å²	38	71.1 Å²	71.1	20%	0.199	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.9	-178.4	-53.4	-175.6	0	0	0	109.1	L59 F62 I67 I72 I88 V90	L59-L69 HydrophobicContact CD2-CD1 3.61Å; F62-L69 HydrophobicContact CB-CD1 4.4Å; F62-L69 HydrophobicContact CB-CD2 3.99Å; F62-L69 HydrophobicContact CB-CG 4.47Å; F62-L69 HydrophobicContact CD1-CD2 3.47Å; F62-L69 VanDerWaalsContact CD1-CD2 3.47Å; F62-L69 HydrophobicContact CE1-CD2 4.07Å; F62-L69 HydrophobicContact CG-CD1 4.45Å; F62-L69 HydrophobicContact CG-CD2 3.81Å; I67-L69 HydrophobicContact CG2-CD2 4.31Å; L69-I72 HydrophobicContact CB-CD1 3.93Å; L69-I72 HydrophobicContact CB-CG1 3.82Å; L69-I72 HydrophobicContact CD1-CD1 3.33Å; L69-I72 HydrophobicContact CD1-CG1 3.81Å; L69-I72 HydrophobicContact CG-CD1 4.25Å; L69-I72 HydrophobicContact CG-CG1 4.43Å; L69-I88 HydrophobicContact CD1-CD1 4.35Å; L69-I88 HydrophobicContact CD1-CG2 4.24Å; L69-I88 HydrophobicContact CD2-CG2 3.4Å; L69-I88 VanDerWaalsContact CD2-CG2 3.4Å; L69-I88 HydrophobicContact CG-CG2 4.25Å; L69-V90 HydrophobicContact CD2-CG1 3.6Å
70	T	78.9	Confident	76.4	Confident	68 Å²	68	71.6 Å²	71.6	42%	0.417	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-29.6	-178.7	56.5	0	0	0	0	112.1	S89 E91	T70-S89 PolarHBondContact N-O 3.08Å; T70-S89 VanDerWaalsContact OG1-C 3.28Å; T70-S89 WeakPolarHBondContact OG1-CB 3.36Å; T70-S89 PolarHBondContact OG1-O 3.18Å; T70-E91 HydrophobicContact CG2-CG 3.66Å
71	H	75.8	Confident	75.6	Confident	94 Å²	94	74.2 Å²	74.2	44%	0.435	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	134.9	173.5	178.6	-102	0	0	0	109.7	E73 S89	H71-E73 VanDerWaalsContact CE1-CB 3.46Å; H71-E73 WeakPolarHBondContact CE1-CB 3.19Å; H71-E73 IonicContact CE1-OE2 3.37Å; H71-E73 PolarHBondContact CE1-OE2 2.78Å; H71-S89 PolarHBondContact N-O 3.3Å; H71-S89 PolarHBondContact O-N 3.24Å
72	I	79.2	Confident	75.2	Confident	75 Å²	75	80.8 Å²	80.8	39%	0.385	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.6	172	-52.5	171.4	0	0	0	106.4	L59 L69 I88	L59-I72 HydrophobicContact CD1-CD1 4.3Å; L59-I72 HydrophobicContact CD2-CD1 4.05Å; L69-I72 HydrophobicContact CB-CD1 3.93Å; L69-I72 HydrophobicContact CB-CG1 3.82Å; L69-I72 HydrophobicContact CD1-CD1 3.33Å; L69-I72 HydrophobicContact CD1-CG1 3.81Å; L69-I72 HydrophobicContact CG-CD1 4.25Å; L69-I72 HydrophobicContact CG-CG1 4.43Å; I72-I88 HydrophobicContact CG2-CG1 4.45Å
73	E	72.8	Confident	74.6	Confident	38 Å²	38	82.8 Å²	82.8	18%	0.178	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.1	170.2	173.6	175.6	172.9	0	0	108.8	H71 R75 F86 F87	H71-E73 VanDerWaalsContact CE1-CB 3.46Å; H71-E73 WeakPolarHBondContact CE1-CB 3.19Å; H71-E73 IonicContact CE1-OE2 3.37Å; H71-E73 PolarHBondContact CE1-OE2 2.78Å; E73-R75 VanDerWaalsContact CD-CZ 3.49Å; E73-R75 HydrophobicContact CG-CG 4.19Å; E73-R75 IonicContact OE1-CZ 2.88Å; E73-R75 IonicContact OE1-NE 3.99Å; E73-R75 PolarHBondContact OE1-NE 3.21Å; E73-R75 IonicContact OE1-NH1 3.94Å; E73-R75 IonicContact OE1-NH2 2.65Å; E73-R75 PolarHBondContact OE1-NH2 2.75Å; E73-R75 IonicContact OE2-NH2 3.91Å; E73-F86 WeakPolarHBondContact O-CA 3.35Å; E73-F87 HydrophobicContact CB-CB 4.25Å; E73-F87 HydrophobicContact CG-CD2 4.45Å; E73-F87 PolarHBondContact N-O 3.45Å; E73-F87 PolarHBondContact O-N 2.83Å
74	S	74.9	Confident	74	Confident	52 Å²	52	79.4 Å²	79.4	36%	0.364	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.5	169.1	67.6	0	0	0	0	109.1	E85	S74-E85 WeakPolarHBondContact CA-O 3.5Å
75	R	65.9	Low	73.1	Confident	131 Å²	131	75.7 Å²	75.7	49%	0.494	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.8	168.6	-63.4	-66	174.5	-121.3	5.4	108.6	E73 S77 Y84 E85 F87	E73-R75 VanDerWaalsContact CD-CZ 3.49Å; E73-R75 HydrophobicContact CG-CG 4.19Å; E73-R75 IonicContact OE1-CZ 2.88Å; E73-R75 IonicContact OE1-NE 3.99Å; E73-R75 PolarHBondContact OE1-NE 3.21Å; E73-R75 IonicContact OE1-NH1 3.94Å; E73-R75 IonicContact OE1-NH2 2.65Å; E73-R75 PolarHBondContact OE1-NH2 2.75Å; E73-R75 IonicContact OE2-NH2 3.91Å; R75-S77 PolarHBondContact O-N 2.92Å; R75-Y84 WeakPolarHBondContact O-CA 3.29Å; R75-Y84 WeakPolarHBondContact O-CD1 3.41Å; R75-E85 PolarHBondContact N-O 2.78Å; R75-E85 PolarHBondContact O-N 2.94Å; R75-F87 HydrophobicContact CG-CE2 4.34Å
76	P	68.7	Low	72.7	Confident	79 Å²	79	73.9 Å²	73.9	51%	0.513	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	128.7	165.4	-19.5	29.5	0	0	0	107.2	R78 Y84	P76-R78 PolarHBondContact O-N 2.95Å; P76-Y84 HydrophobicContact CB-CE1 4.07Å; P76-Y84 HydrophobicContact CG-CD1 4.49Å; P76-Y84 HydrophobicContact CG-CE1 3.79Å
77	S	60.6	Low	72.1	Confident	9 Å²	9	72 Å²	72	6%	0.063	34%	0.342	C	S	.	.			trans	-57.9	123.7	176	174.1	0	0	0	0	107.1	R75 M79 N80 E83	R75-S77 PolarHBondContact O-N 2.92Å; S77-M79 PolarHBondContact O-N 3.17Å; S77-M79 VanDerWaalsContact O-N 3.09Å; S77-M79 PolarHBondContact OG-N 2.89Å; S77-N80 WeakPolarHBondContact CB-O 3.27Å; S77-N80 PolarHBondContact OG-N 2.85Å; S77-N80 VanDerWaalsContact OG-N 3.15Å; S77-E83 WeakPolarHBondContact CB-O 3.48Å; S77-E83 PolarHBondContact N-O 2.94Å
78	R	50.1	Low	71.9	Confident	161 Å²	161	71.6 Å²	71.6	61%	0.608	34%	0.34	S	S	*	.	S	Bend	trans	-68.6	-8.8	178.2	-50.6	-176.4	91.4	173	11.4	111.3	P76 T425	P76-R78 PolarHBondContact O-N 2.95Å; R78-T425 PolarHBondContact NH1-OG1 2.83Å
79	M	47.6	Very low	71.6	Confident	49 Å²	49	66.7 Å²	66.7	24%	0.241	31%	0.314	C	S	.	.	S	Bend	trans	-110.9	-43	-167.5	-48.8	-62	-69.9	0	0	111.8	S77 Q435 Q436 N439	S77-M79 PolarHBondContact O-N 3.17Å; S77-M79 VanDerWaalsContact O-N 3.09Å; S77-M79 PolarHBondContact OG-N 2.89Å; M79-Q435 HydrophobicContact CB-CG 4.04Å; M79-Q435 HydrophobicContact CE-CG 4.07Å; M79-Q435 WeakPolarHBondContact CE-O 3.38Å; M79-Q436 VanDerWaalsContact CE-CA 3.48Å; M79-Q436 HydrophobicContact CE-CB 4.21Å; M79-Q436 HydrophobicContact CE-CG 3.74Å; M79-N439 HydrophobicContact CE-CB 3.65Å; M79-N439 WeakPolarHBondContact CE-ND2 3.44Å; M79-N439 HydrophobicContact SD-CB 4.47Å; M79-N439 PolarHBondContact SD-ND2 2.84Å
80	N	61.5	Low	71.4	Confident	53 Å²	53	64.9 Å²	64.9	28%	0.283	30%	0.304	S	S	.	.			trans	-123.1	111.3	174.8	-178.4	-6.9	0	0	0	109.2	S77 K82 E83	S77-N80 WeakPolarHBondContact CB-O 3.27Å; S77-N80 PolarHBondContact OG-N 2.85Å; S77-N80 VanDerWaalsContact OG-N 3.15Å; N80-K82 PolarHBondContact O-N 2.98Å; N80-K82 WeakPolarHBondContact OD1-CB 3.47Å; N80-K82 PolarHBondContact OD1-N 3.37Å; N80-E83 HydrophobicContact CB-CB 3.99Å; N80-E83 HydrophobicContact CB-CG 4.06Å; N80-E83 WeakPolarHBondContact ND2-CG 3.2Å; N80-E83 PolarHBondContact ND2-OE1 2.82Å; N80-E83 PolarHBondContact O-N 2.84Å
81	K	72.3	Confident	71.3	Confident	198 Å²	198	65.9 Å²	65.9	86%	0.861	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.6	-179.8	-65.2	-173.2	-179.6	-178.9	0	113.8
82	K	77.4	Confident	70.9	Confident	152 Å²	152	63.2 Å²	63.2	66%	0.661	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	18.1	175.8	-54.9	-173	178.8	-174.9	0	112.3	K49 E50 N80	K49-K82 CarbonylContact C-O 3.57Å; K49-K82 WeakPolarHBondContact CA-O 3.29Å; E50-K82 WeakPolarHBondContact CB-O 3.42Å; E50-K82 PolarHBondContact N-O 3.17Å; N80-K82 PolarHBondContact O-N 2.98Å; N80-K82 WeakPolarHBondContact OD1-CB 3.47Å; N80-K82 PolarHBondContact OD1-N 3.37Å
83	E	77.1	Confident	70.8	Confident	44 Å²	44	64.3 Å²	64.3	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.1	176.8	-75.2	171.9	-163.3	0	0	111.2	L48 K49 S77 N80	L48-E83 CarbonylContact O-C 3.6Å; L48-E83 WeakPolarHBondContact O-CA 3.4Å; L48-E83 VanDerWaalsContact O-CB 3.29Å; L48-E83 WeakPolarHBondContact O-CB 3.39Å; L48-E83 WeakPolarHBondContact O-CG 3.41Å; K49-E83 HydrophobicContact CB-CG 4.33Å; K49-E83 HydrophobicContact CG-CG 3.7Å; S77-E83 WeakPolarHBondContact CB-O 3.48Å; S77-E83 PolarHBondContact N-O 2.94Å; N80-E83 HydrophobicContact CB-CB 3.99Å; N80-E83 HydrophobicContact CB-CG 4.06Å; N80-E83 WeakPolarHBondContact ND2-CG 3.2Å; N80-E83 PolarHBondContact ND2-OE1 2.82Å; N80-E83 PolarHBondContact O-N 2.84Å
84	Y	75.9	Confident	70.9	Confident	73 Å²	73	63.5 Å²	63.5	29%	0.286	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.6	171.3	-81.1	-98	0	0	0	109.3	S47 L48 E50 R75 P76 F86	S47-Y84 WeakPolarHBondContact CA-O 3.11Å; L48-Y84 PolarHBondContact N-O 2.9Å; L48-Y84 PolarHBondContact O-N 2.9Å; E50-Y84 HydrophobicContact CB-CD2 4.27Å; E50-Y84 HydrophobicContact CB-CE2 4.33Å; E50-Y84 HydrophobicContact CG-CD2 4.39Å; E50-Y84 HydrophobicContact CG-CE2 4.05Å; R75-Y84 WeakPolarHBondContact O-CA 3.29Å; R75-Y84 WeakPolarHBondContact O-CD1 3.41Å; P76-Y84 HydrophobicContact CB-CE1 4.07Å; P76-Y84 HydrophobicContact CG-CD1 4.49Å; P76-Y84 HydrophobicContact CG-CE1 3.79Å; Y84-F86 HydrophobicContact CG-CZ 4.35Å; Y84-F86 WeakPolarHBondContact O-CD2 3.47Å
85	E	70.9	Confident	70.6	Confident	47 Å²	47	62.5 Å²	62.5	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.8	169.9	-66.9	-175.5	164.2	0	0	108.8	S74 R75 F87	S74-E85 WeakPolarHBondContact CA-O 3.5Å; R75-E85 PolarHBondContact N-O 2.78Å; R75-E85 PolarHBondContact O-N 2.94Å; E85-F87 HydrophobicContact CB-CE2 3.94Å; E85-F87 HydrophobicContact CB-CZ 4.37Å
86	F	76.9	Confident	71	Confident	9 Å²	9	63.2 Å²	63.2	4%	0.039	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.4	179.5	-65.5	-84.4	0	0	0	110	I45 F46 L48 L55 E73 Y84 I88	I45-F86 WeakPolarHBondContact CA-O 3.45Å; F46-F86 HydrophobicContact CD2-CB 4.3Å; F46-F86 HydrophobicContact CD2-CD2 4.38Å; F46-F86 HydrophobicContact CE1-CB 4.24Å; F46-F86 HydrophobicContact CE2-CB 3.87Å; F46-F86 AromaticContact CE2-CD2 3.96Å; F46-F86 HydrophobicContact CE2-CD2 3.96Å; F46-F86 HydrophobicContact CE2-CG 4.1Å; F46-F86 HydrophobicContact CZ-CB 3.84Å; F46-F86 HydrophobicContact CZ-CG 4.36Å; F46-F86 PolarHBondContact N-O 3.45Å; F46-F86 PolarHBondContact O-N 2.99Å; L48-F86 HydrophobicContact CB-CD2 4.31Å; L48-F86 HydrophobicContact CB-CE2 3.88Å; L48-F86 HydrophobicContact CD1-CD2 3.87Å; L48-F86 HydrophobicContact CD1-CE2 3.56Å; L48-F86 HydrophobicContact CD1-CZ 4.29Å; L48-F86 HydrophobicContact CG-CD2 3.76Å; L48-F86 HydrophobicContact CG-CE2 3.7Å; L55-F86 HydrophobicContact CB-CE1 4.33Å; L55-F86 HydrophobicContact CB-CZ 4.1Å; L55-F86 HydrophobicContact CD1-CD1 3.5Å; L55-F86 VanDerWaalsContact CD1-CD1 3.5Å; L55-F86 HydrophobicContact CD1-CD2 4.48Å; L55-F86 HydrophobicContact CD1-CE1 3.24Å; L55-F86 HydrophobicContact CD1-CE2 4.28Å; L55-F86 HydrophobicContact CD1-CG 4.13Å; L55-F86 HydrophobicContact CD1-CZ 3.67Å; L55-F86 HydrophobicContact CD2-CD1 4.45Å; L55-F86 HydrophobicContact CD2-CE1 3.57Å; L55-F86 HydrophobicContact CD2-CZ 4.09Å; L55-F86 HydrophobicContact CG-CE1 3.87Å; L55-F86 HydrophobicContact CG-CZ 4.15Å; E73-F86 WeakPolarHBondContact O-CA 3.35Å; Y84-F86 HydrophobicContact CG-CZ 4.35Å; Y84-F86 WeakPolarHBondContact O-CD2 3.47Å; F86-I88 HydrophobicContact CB-CG1 4.41Å
87	F	71.9	Confident	71.5	Confident	27 Å²	27	60.7 Å²	60.7	12%	0.118	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.2	175.7	-58.1	-96.9	0	0	0	106.8	I45 E73 R75 E85 K130	I45-F87 HydrophobicContact CD1-CD1 3.82Å; I45-F87 HydrophobicContact CD1-CE1 3.94Å; I45-F87 HydrophobicContact CG1-CD1 4Å; I45-F87 HydrophobicContact CG1-CE1 4.44Å; I45-F87 HydrophobicContact CG2-CD1 4.4Å; I45-F87 HydrophobicContact CG2-CE1 4.27Å; E73-F87 HydrophobicContact CB-CB 4.25Å; E73-F87 HydrophobicContact CG-CD2 4.45Å; E73-F87 PolarHBondContact N-O 3.45Å; E73-F87 PolarHBondContact O-N 2.83Å; R75-F87 HydrophobicContact CG-CE2 4.34Å; E85-F87 HydrophobicContact CB-CE2 3.94Å; E85-F87 HydrophobicContact CB-CZ 4.37Å; F87-K130 HydrophobicContact CE1-CD 4.13Å
88	I	81.1	Confident	72.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.8	-177	-57.7	-157	0	0	0	108.8	T43 C44 F46 L59 F62 L69 I72 F86 V90	T43-I88 CarbonylContact C-O 3.53Å; T43-I88 VanDerWaalsContact CA-O 3.31Å; T43-I88 WeakPolarHBondContact CA-O 3.46Å; C44-I88 PolarHBondContact N-O 2.91Å; C44-I88 PolarHBondContact O-N 2.79Å; F46-I88 HydrophobicContact CE1-CD1 3.47Å; F46-I88 VanDerWaalsContact CE1-CD1 3.47Å; F46-I88 HydrophobicContact CE1-CG1 3.8Å; F46-I88 HydrophobicContact CZ-CD1 3.6Å; F46-I88 HydrophobicContact CZ-CG1 4.24Å; L59-I88 HydrophobicContact CD2-CD1 3.65Å; F62-I88 HydrophobicContact CD2-CD1 4.38Å; F62-I88 HydrophobicContact CE1-CG2 3.96Å; F62-I88 HydrophobicContact CE2-CD1 3.77Å; F62-I88 HydrophobicContact CZ-CB 4.42Å; F62-I88 HydrophobicContact CZ-CD1 3.89Å; F62-I88 HydrophobicContact CZ-CG2 4.12Å; L69-I88 HydrophobicContact CD1-CD1 4.35Å; L69-I88 HydrophobicContact CD1-CG2 4.24Å; L69-I88 HydrophobicContact CD2-CG2 3.4Å; L69-I88 VanDerWaalsContact CD2-CG2 3.4Å; L69-I88 HydrophobicContact CG-CG2 4.25Å; I72-I88 HydrophobicContact CG2-CG1 4.45Å; F86-I88 HydrophobicContact CB-CG1 4.41Å; I88-V90 HydrophobicContact CG2-CG1 3.94Å
89	S	78.4	Confident	73.7	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132	171.9	-72	0	0	0	0	109.9	I42 T70 H71	I42-S89 CarbonylContact O-C 3.12Å; I42-S89 WeakPolarHBondContact O-CA 3.43Å; T70-S89 PolarHBondContact N-O 3.08Å; T70-S89 VanDerWaalsContact OG1-C 3.28Å; T70-S89 WeakPolarHBondContact OG1-CB 3.36Å; T70-S89 PolarHBondContact OG1-O 3.18Å; H71-S89 PolarHBondContact N-O 3.3Å; H71-S89 PolarHBondContact O-N 3.24Å
90	V	81.6	Confident	75.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160	178.7	-55.9	0	0	0	0	110.5	I42 F62 I67 L69 I88 L98	I42-V90 HydrophobicContact CB-CG2 3.87Å; I42-V90 HydrophobicContact CG2-CG2 4.46Å; I42-V90 PolarHBondContact N-O 3.17Å; I42-V90 PolarHBondContact O-N 2.92Å; F62-V90 HydrophobicContact CD1-CG1 4.36Å; F62-V90 HydrophobicContact CE1-CG1 4.23Å; I67-V90 HydrophobicContact CG2-CB 3.9Å; I67-V90 HydrophobicContact CG2-CG1 3.6Å; L69-V90 HydrophobicContact CD2-CG1 3.6Å; I88-V90 HydrophobicContact CG2-CG1 3.94Å; V90-L98 HydrophobicContact CG2-CD1 4.22Å; V90-L98 HydrophobicContact CG2-CD2 3.87Å
91	E	75.9	Confident	76.3	Confident	90 Å²	90	55.2 Å²	55.2	42%	0.421	28%	0.275	S	S	.	.			trans	-68.3	149.6	174.7	-65.4	-175.6	-178.3	0	0	111.2	T70 S93 C94	T70-E91 HydrophobicContact CG2-CG 3.66Å; E91-S93 PolarHBondContact O-N 3.01Å; E91-C94 PolarHBondContact O-N 2.89Å; E91-C94 VanDerWaalsContact O-N 3.16Å
92	P	69.1	Low	76.5	Confident	38 Å²	38	45.9 Å²	45.9	25%	0.247	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66	-26.3	-177.3	-14.7	28.1	0	0	0	113.4	E40 C94 S95	E40-P92 HydrophobicContact CB-CB 4.37Å; E40-P92 HydrophobicContact CB-CG 3.34Å; E40-P92 WeakPolarHBondContact O-CD 3.37Å; E40-P92 WeakPolarHBondContact O-CG 3.45Å; P92-C94 PolarHBondContact O-N 3.11Å; P92-C94 VanDerWaalsContact O-N 3.13Å; P92-S95 PolarHBondContact O-N 3.2Å
93	S	76.5	Confident	76.5	Confident	97 Å²	97	42.9 Å²	42.9	68%	0.678	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-58	-21.1	175.7	47.8	0	0	0	0	112.8	E91	E91-S93 PolarHBondContact O-N 3.01Å
94	C	74	Confident	76.7	Confident	21 Å²	21	42.1 Å²	42.1	14%	0.142	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-93.1	9.2	-178.6	-60.6	0	0	0	0	114.2	I67 E91 P92 Q96 A97 L98	I67-C94 HydrophobicContact CD1-CB 4.44Å; I67-C94 HydrophobicContact CG1-CB 4.18Å; I67-C94 HydrophobicContact CG2-CB 3.87Å; E91-C94 PolarHBondContact O-N 2.89Å; E91-C94 VanDerWaalsContact O-N 3.16Å; P92-C94 PolarHBondContact O-N 3.11Å; P92-C94 VanDerWaalsContact O-N 3.13Å; C94-Q96 PolarHBondContact O-N 3.07Å; C94-A97 PolarHBondContact O-N 2.54Å; C94-L98 WeakPolarHBondContact O-CB 3.43Å; C94-L98 PolarHBondContact O-N 3.27Å
95	S	70.1	Confident	76.9	Confident	31 Å²	31	38.7 Å²	38.7	22%	0.217	21%	0.212	C	C	.	.	H	α-helix	trans	-55.3	-45.3	-170.3	71.1	0	0	0	0	114	P92 L98 D99 Q121	P92-S95 PolarHBondContact O-N 3.2Å; S95-L98 WeakPolarHBondContact O-CB 3.34Å; S95-L98 PolarHBondContact O-N 3.46Å; S95-D99 PolarHBondContact O-N 3.45Å; S95-Q121 PolarHBondContact OG-NE2 3.16Å
96	Q	72.9	Confident	77	Confident	147 Å²	147	42.6 Å²	42.6	69%	0.687	23%	0.225	S	C	*	.	H	α-helix	trans	-70.5	-37	-177.6	-170.5	172.1	2.6	0	0	112.4	C94 L98 D99	C94-Q96 PolarHBondContact O-N 3.07Å; Q96-L98 VanDerWaalsContact C-N 3.28Å; Q96-D99 PolarHBondContact O-N 3.01Å
97	A	79.9	Confident	76.9	Confident	26 Å²	26	47.5 Å²	47.5	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-30.8	173.4	0	0	0	0	0	111.3	N65 I67 C94 D99 E100 V101	N65-A97 HydrophobicContact CB-CB 4.46Å; I67-A97 HydrophobicContact CD1-CB 3.79Å; I67-A97 HydrophobicContact CG1-CB 3.94Å; C94-A97 PolarHBondContact O-N 2.54Å; A97-D99 VanDerWaalsContact C-N 3.34Å; A97-E100 PolarHBondContact O-N 3.13Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 3.19Å; A97-V101 VanDerWaalsContact O-N 3.08Å
98	L	79.4	Confident	76.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-35.8	177.3	-172.7	68.8	0	0	0	111.7	I42 C44 F62 I67 V90 C94 S95 Q96 E100 V101 I102	I42-L98 HydrophobicContact CB-CD2 4.23Å; I42-L98 HydrophobicContact CG2-CD2 3.4Å; I42-L98 VanDerWaalsContact CG2-CD2 3.4Å; C44-L98 HydrophobicContact CB-CD1 4.23Å; F62-L98 HydrophobicContact CD1-CD1 4.36Å; F62-L98 HydrophobicContact CE1-CD1 3.57Å; F62-L98 HydrophobicContact CZ-CD1 4.36Å; I67-L98 HydrophobicContact CD1-CB 4.25Å; I67-L98 HydrophobicContact CD1-CD1 4.35Å; V90-L98 HydrophobicContact CG2-CD1 4.22Å; V90-L98 HydrophobicContact CG2-CD2 3.87Å; C94-L98 WeakPolarHBondContact O-CB 3.43Å; C94-L98 PolarHBondContact O-N 3.27Å; S95-L98 WeakPolarHBondContact O-CB 3.34Å; S95-L98 PolarHBondContact O-N 3.46Å; Q96-L98 VanDerWaalsContact C-N 3.28Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 2.9Å; L98-V101 CarbonylContact O-C 3.09Å; L98-V101 PolarHBondContact O-N 2.65Å; L98-I102 HydrophobicContact CD2-CD1 4.2Å; L98-I102 HydrophobicContact CG-CD1 3.81Å; L98-I102 HydrophobicContact CG-CG1 4.3Å; L98-I102 WeakPolarHBondContact O-CB 3.43Å; L98-I102 VanDerWaalsContact O-CG1 3.25Å; L98-I102 WeakPolarHBondContact O-CG1 3.27Å; L98-I102 PolarHBondContact O-N 3.26Å
99	D	76.3	Confident	75.9	Confident	46 Å²	46	54.2 Å²	54.2	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-57.5	-45.8	173.7	-66.3	-36.8	0	0	0	111	S95 Q96 A97 V101 I102 D103	S95-D99 PolarHBondContact O-N 3.45Å; Q96-D99 PolarHBondContact O-N 3.01Å; A97-D99 VanDerWaalsContact C-N 3.34Å; D99-V101 VanDerWaalsContact C-N 3.34Å; D99-V101 PolarHBondContact O-N 2.66Å; D99-I102 PolarHBondContact O-N 3.22Å; D99-D103 PolarHBondContact O-N 3.42Å
100	E	81	Confident	74.7	Confident	111 Å²	111	59.7 Å²	59.7	52%	0.519	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-38.8	177.4	-62.8	-177.2	-173	0	0	111.9	N65 A97 L98 S104	N65-E100 PolarHBondContact OD1-OE2 3.21Å; A97-E100 PolarHBondContact O-N 3.13Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 2.9Å; E100-S104 VanDerWaalsContact O-CB 3.27Å; E100-S104 WeakPolarHBondContact O-CB 3.35Å; E100-S104 PolarHBondContact O-N 3.41Å; E100-S104 PolarHBondContact O-OG 3.09Å
101	V	82.9	Confident	73.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-41.7	173.5	172.6	0	0	0	0	111.1	L61 F62 N65 I67 A97 L98 D99 S104 L105	L61-V101 HydrophobicContact CB-CG1 4.11Å; L61-V101 WeakPolarHBondContact O-CG2 3.47Å; F62-V101 HydrophobicContact CD1-CG1 3.99Å; F62-V101 HydrophobicContact CD2-CG1 3.86Å; F62-V101 HydrophobicContact CE1-CG1 3.79Å; F62-V101 HydrophobicContact CE2-CG1 3.61Å; F62-V101 HydrophobicContact CG-CG1 4.04Å; F62-V101 HydrophobicContact CZ-CG1 3.58Å; N65-V101 HydrophobicContact CB-CG2 3.67Å; N65-V101 WeakPolarHBondContact ND2-CG2 3.5Å; I67-V101 HydrophobicContact CD1-CB 4.44Å; I67-V101 HydrophobicContact CD1-CG2 3.69Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 3.19Å; A97-V101 VanDerWaalsContact O-N 3.08Å; L98-V101 CarbonylContact O-C 3.09Å; L98-V101 PolarHBondContact O-N 2.65Å; D99-V101 VanDerWaalsContact C-N 3.34Å; D99-V101 PolarHBondContact O-N 2.66Å; V101-S104 CarbonylContact O-C 3.53Å; V101-S104 PolarHBondContact O-N 3.06Å; V101-L105 HydrophobicContact CG1-CD1 3.86Å; V101-L105 HydrophobicContact CG1-CG 4.17Å; V101-L105 WeakPolarHBondContact O-CB 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.4Å; V101-L105 PolarHBondContact O-N 3.15Å
102	I	77.5	Confident	72.6	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-43.7	179.7	-76.1	167	0	0	0	110.8	L98 D99 S104 L105 R106 V113 E115	L98-I102 HydrophobicContact CD2-CD1 4.2Å; L98-I102 HydrophobicContact CG-CD1 3.81Å; L98-I102 HydrophobicContact CG-CG1 4.3Å; L98-I102 WeakPolarHBondContact O-CB 3.43Å; L98-I102 VanDerWaalsContact O-CG1 3.25Å; L98-I102 WeakPolarHBondContact O-CG1 3.27Å; L98-I102 PolarHBondContact O-N 3.26Å; D99-I102 PolarHBondContact O-N 3.22Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-L105 WeakPolarHBondContact O-CB 3.25Å; I102-L105 PolarHBondContact O-N 3.49Å; I102-R106 WeakPolarHBondContact O-CB 3.14Å; I102-R106 VanDerWaalsContact O-CG 3.27Å; I102-R106 WeakPolarHBondContact O-CG 3.15Å; I102-R106 PolarHBondContact O-N 2.91Å; I102-V113 HydrophobicContact CB-CG1 4.31Å; I102-V113 HydrophobicContact CG1-CG1 4.07Å; I102-V113 HydrophobicContact CG2-CG1 3.8Å; I102-E115 HydrophobicContact CD1-CB 3.75Å; I102-E115 HydrophobicContact CD1-CG 3.49Å; I102-E115 VanDerWaalsContact CD1-CG 3.49Å
103	D	77.6	Confident	72.1	Confident	89 Å²	89	61.1 Å²	61.1	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-36.8	175.8	-76.8	-14.5	0	0	0	111.5	D99 R106 T107	D99-D103 PolarHBondContact O-N 3.42Å; D103-R106 PolarHBondContact O-N 2.98Å; D103-R106 IonicContact OD1-NH1 3.01Å; D103-R106 PolarHBondContact OD1-NH1 2.85Å; D103-T107 WeakPolarHBondContact O-CB 3.49Å; D103-T107 VanDerWaalsContact O-CG2 3.29Å; D103-T107 WeakPolarHBondContact O-CG2 3.22Å; D103-T107 PolarHBondContact O-N 2.96Å; D103-T107 PolarHBondContact O-OG1 2.88Å
104	S	80.5	Confident	71.2	Confident	28 Å²	28	59.5 Å²	59.5	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-41.5	171.4	-62.3	0	0	0	0	112	E100 V101 I102 T107 Q108	E100-S104 VanDerWaalsContact O-CB 3.27Å; E100-S104 WeakPolarHBondContact O-CB 3.35Å; E100-S104 PolarHBondContact O-N 3.41Å; E100-S104 PolarHBondContact O-OG 3.09Å; V101-S104 CarbonylContact O-C 3.53Å; V101-S104 PolarHBondContact O-N 3.06Å; I102-S104 VanDerWaalsContact C-N 3.32Å; S104-T107 WeakPolarHBondContact CA-OG1 3.37Å; S104-T107 PolarHBondContact O-N 2.99Å; S104-T107 PolarHBondContact O-OG1 2.8Å; S104-Q108 WeakPolarHBondContact O-CA 3.39Å; S104-Q108 WeakPolarHBondContact O-CB 3.48Å; S104-Q108 WeakPolarHBondContact O-CG 3.49Å; S104-Q108 PolarHBondContact O-N 2.97Å
105	L	79.5	Confident	70.5	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-42.4	175	-75.3	168.7	0	0	0	110.6	F46 A58 L61 F62 V101 I102 T107 I109 V113	F46-L105 HydrophobicContact CD1-CD1 3.72Å; F46-L105 HydrophobicContact CD2-CD2 4.32Å; F46-L105 HydrophobicContact CE1-CD1 3.94Å; F46-L105 HydrophobicContact CE2-CD2 4.28Å; F46-L105 HydrophobicContact CG-CD1 4.17Å; F46-L105 HydrophobicContact CG-CD2 4.45Å; F46-L105 HydrophobicContact CZ-CD2 4.38Å; A58-L105 HydrophobicContact CB-CD2 4.06Å; L61-L105 HydrophobicContact CD1-CD2 3.68Å; L61-L105 HydrophobicContact CD1-CG 3.92Å; F62-L105 HydrophobicContact CE2-CD1 4.11Å; F62-L105 HydrophobicContact CZ-CD1 4.15Å; V101-L105 HydrophobicContact CG1-CD1 3.86Å; V101-L105 HydrophobicContact CG1-CG 4.17Å; V101-L105 WeakPolarHBondContact O-CB 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.4Å; V101-L105 PolarHBondContact O-N 3.15Å; I102-L105 WeakPolarHBondContact O-CB 3.25Å; I102-L105 PolarHBondContact O-N 3.49Å; L105-T107 PolarHBondContact O-N 2.9Å; L105-I109 HydrophobicContact CD2-CD1 3.6Å; L105-I109 HydrophobicContact CD2-CG1 4.37Å; L105-I109 CarbonylContact O-C 3.58Å; L105-I109 WeakPolarHBondContact O-CB 3.49Å; L105-I109 PolarHBondContact O-N 2.8Å; L105-V113 HydrophobicContact CB-CG2 3.73Å; L105-V113 HydrophobicContact CD1-CG1 4.45Å
106	R	74	Confident	69.9	Low	128 Å²	128	58.3 Å²	58.3	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-35.4	177.8	-73.1	169.7	179.9	156	0.2	113	I102 D103 V113	I102-R106 WeakPolarHBondContact O-CB 3.14Å; I102-R106 VanDerWaalsContact O-CG 3.27Å; I102-R106 WeakPolarHBondContact O-CG 3.15Å; I102-R106 PolarHBondContact O-N 2.91Å; D103-R106 PolarHBondContact O-N 2.98Å; D103-R106 IonicContact OD1-NH1 3.01Å; D103-R106 PolarHBondContact OD1-NH1 2.85Å; R106-V113 HydrophobicContact CG-CB 3.86Å; R106-V113 HydrophobicContact CG-CG2 3.82Å
107	T	73.8	Confident	69.1	Low	112 Å²	112	51.6 Å²	51.6	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-91.5	-39.5	-173.9	52.5	0	0	0	0	113.2	D103 S104 L105	D103-T107 WeakPolarHBondContact O-CB 3.49Å; D103-T107 VanDerWaalsContact O-CG2 3.29Å; D103-T107 WeakPolarHBondContact O-CG2 3.22Å; D103-T107 PolarHBondContact O-N 2.96Å; D103-T107 PolarHBondContact O-OG1 2.88Å; S104-T107 WeakPolarHBondContact CA-OG1 3.37Å; S104-T107 PolarHBondContact O-N 2.99Å; S104-T107 PolarHBondContact O-OG1 2.8Å; L105-T107 PolarHBondContact O-N 2.9Å
108	Q	67.1	Low	67.9	Low	136 Å²	136	53.3 Å²	53.3	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-96.9	-18.6	-172	-55.8	-177.3	18.1	0	0	113	S104	S104-Q108 WeakPolarHBondContact O-CA 3.39Å; S104-Q108 WeakPolarHBondContact O-CB 3.48Å; S104-Q108 WeakPolarHBondContact O-CG 3.49Å; S104-Q108 PolarHBondContact O-N 2.97Å
109	I	64.9	Low	66.5	Low	32 Å²	32	56.9 Å²	56.9	16%	0.164	30%	0.298	C	S	.	.	S	Bend	trans	-125.2	119.2	-178.8	-50.8	-166.8	0	0	0	108.2	L48 A58 L61 L105 G111	L48-I109 HydrophobicContact CD2-CB 4.41Å; L48-I109 HydrophobicContact CD2-CD1 4.04Å; L48-I109 HydrophobicContact CD2-CG2 3.23Å; A58-I109 HydrophobicContact CB-CD1 3.65Å; L61-I109 HydrophobicContact CD1-CD1 4.2Å; L105-I109 HydrophobicContact CD2-CD1 3.6Å; L105-I109 HydrophobicContact CD2-CG1 4.37Å; L105-I109 CarbonylContact O-C 3.58Å; L105-I109 WeakPolarHBondContact O-CB 3.49Å; L105-I109 PolarHBondContact O-N 2.8Å; I109-G111 PolarHBondContact O-N 3.03Å
110	S	53.8	Low	65.5	Low	118 Å²	118	62.8 Å²	62.8	83%	0.825	32%	0.321	S	S	*	.			trans	-69.3	75.4	179.4	-57.8	0	0	0	0	112.3
111	G	56.2	Low	63.9	Low	26 Å²	26	61.8 Å²	61.8	27%	0.268	32%	0.316	S	S	.	.	S	Bend	trans	-147.2	160.6	-179.4	0	0	0	0	0	112.9	I109	I109-G111 PolarHBondContact O-N 3.03Å
112	H	58.6	Low	62.1	Low	119 Å²	119	71.6 Å²	71.6	55%	0.551	36%	0.359	S	S	*	.			trans	-82	127.3	171.6	-65.3	-66.1	0	0	0	109.4	F46	F46-H112 WeakPolarHBondContact CA-O 3.35Å
113	V	58.5	Low	61	Low	13 Å²	13	79.3 Å²	79.3	8%	0.079	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.7	-180	-172	0	0	0	0	109.4	F46 I102 L105 R106	F46-V113 HydrophobicContact CB-CB 4.42Å; F46-V113 HydrophobicContact CB-CG1 4.29Å; F46-V113 HydrophobicContact CB-CG2 3.98Å; I102-V113 HydrophobicContact CB-CG1 4.31Å; I102-V113 HydrophobicContact CG1-CG1 4.07Å; I102-V113 HydrophobicContact CG2-CG1 3.8Å; L105-V113 HydrophobicContact CB-CG2 3.73Å; L105-V113 HydrophobicContact CD1-CG1 4.45Å; R106-V113 HydrophobicContact CG-CB 3.86Å; R106-V113 HydrophobicContact CG-CG2 3.82Å
114	H	57.4	Low	60.5	Low	63 Å²	63	76.3 Å²	76.3	29%	0.292	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.6	173.4	-64.2	-71.2	0	0	0	110.2	I45 N432	I45-H114 PolarHBondContact N-O 2.96Å; I45-H114 PolarHBondContact O-N 2.82Å; H114-N432 PolarHBondContact CE1-ND2 3.41Å; H114-N432 PolarHBondContact NE2-ND2 3.14Å
115	E	59.6	Low	60.3	Low	23 Å²	23	76 Å²	76	11%	0.107	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.7	171.1	-162	-176.9	164	0	0	110.3	I102 T124	I102-E115 HydrophobicContact CD1-CB 3.75Å; I102-E115 HydrophobicContact CD1-CG 3.49Å; I102-E115 VanDerWaalsContact CD1-CG 3.49Å; E115-T124 HydrophobicContact CG-CG2 4.3Å
116	L	55.9	Low	60.5	Low	5 Å²	5	77.4 Å²	77.4	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.2	171.8	-62.2	175.4	0	0	0	108.6	T43 I45 V125 W127 F128	T43-L116 PolarHBondContact N-O 3.33Å; T43-L116 CarbonylContact O-C 3.51Å; T43-L116 WeakPolarHBondContact O-CA 3.32Å; T43-L116 WeakPolarHBondContact O-CB 3.4Å; T43-L116 PolarHBondContact O-N 3.02Å; I45-L116 HydrophobicContact CD1-CD1 3.6Å; I45-L116 HydrophobicContact CG1-CD1 4.44Å; L116-V125 HydrophobicContact CD2-CB 3.89Å; L116-V125 HydrophobicContact CD2-CG1 3.9Å; L116-W127 HydrophobicContact CB-CB 4.33Å; L116-F128 HydrophobicContact CD1-CE1 4.38Å; L116-F128 HydrophobicContact CD2-CD1 4.45Å; L116-F128 HydrophobicContact CD2-CE1 4.02Å
117	S	56.6	Low	61	Low	6 Å²	6	72 Å²	72	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	145.8	177.2	-174.5	0	0	0	0	110.7	N119 V125 W127	S117-N119 VanDerWaalsContact C-N 3.33Å; S117-N119 WeakPolarHBondContact CB-O 3.38Å; S117-N119 PolarHBondContact OG-N 3.19Å; S117-N119 PolarHBondContact OG-O 3.33Å; S117-V125 PolarHBondContact N-O 3.07Å; S117-W127 PolarHBondContact O-N 2.88Å
118	R	54.4	Low	61.7	Low	61 Å²	61	66.9 Å²	66.9	23%	0.23	34%	0.339	C	S	.	.	S	Bend	trans	-78.7	-20.5	165.5	-74.7	-170.9	176.9	-154.4	4.5	112.1	W127 Q141	R118-W127 HydrophobicContact CG-CB 3.83Å; R118-W127 HydrophobicContact CG-CD2 4.45Å; R118-W127 HydrophobicContact CG-CE3 4.41Å; R118-W127 HydrophobicContact CG-CG 4.23Å; R118-Q141 VanDerWaalsContact NH1-CD 3.35Å
119	N	51.5	Low	62.7	Low	76 Å²	76	60.5 Å²	60.5	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-104	135.5	-178.6	-75.2	-20.3	0	0	0	111.7	E40 S117 Q121	E40-N119 PolarHBondContact OE2-ND2 3.04Å; S117-N119 VanDerWaalsContact C-N 3.33Å; S117-N119 WeakPolarHBondContact CB-O 3.38Å; S117-N119 PolarHBondContact OG-N 3.19Å; S117-N119 PolarHBondContact OG-O 3.33Å; N119-Q121 PolarHBondContact O-N 2.91Å
120	K	53.7	Low	63.7	Low	170 Å²	170	60.4 Å²	60.4	74%	0.739	31%	0.308	S	S	*	.			trans	-69.1	74.7	-170.6	-61.3	175.2	-178.6	-175.9	0	113.2	D322	K120-D322 WeakPolarHBondContact CE-OD2 3.41Å; K120-D322 IonicContact NZ-OD2 3.9Å; K120-D322 PolarHBondContact NZ-OD2 2.75Å
121	Q	49	Very low	65.5	Low	89 Å²	89	57 Å²	57	42%	0.416	28%	0.281	S	S	.	.			trans	-87.4	145.5	160	-70.5	-143.3	22.5	0	0	110.5	S95 N119 D123 T124	S95-Q121 PolarHBondContact OG-NE2 3.16Å; N119-Q121 PolarHBondContact O-N 2.91Å; Q121-D123 PolarHBondContact O-N 2.91Å; Q121-T124 HydrophobicContact CB-CG2 3.97Å; Q121-T124 PolarHBondContact O-N 3Å; Q121-T124 VanDerWaalsContact O-N 3.07Å; Q121-T124 PolarHBondContact O-OG1 3.01Å
122	K	44	Very low	67.4	Low	207 Å²	207	56 Å²	56	90%	0.9	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-6.1	-158.8	-146.8	174.2	-178.9	-178.8	0	115.3
123	D	54.2	Low	69	Low	162 Å²	162	56.6 Å²	56.6	87%	0.866	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	17.1	-180	-65.7	-58.8	0	0	0	113.6	Q121	Q121-D123 PolarHBondContact O-N 2.91Å
124	T	66.6	Low	70.5	Confident	26 Å²	26	57.4 Å²	57.4	16%	0.16	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-102	140.8	-177.6	61.8	0	0	0	0	112.4	E115 Q121	E115-T124 HydrophobicContact CG-CG2 4.3Å; Q121-T124 HydrophobicContact CB-CG2 3.97Å; Q121-T124 PolarHBondContact O-N 3Å; Q121-T124 VanDerWaalsContact O-N 3.07Å; Q121-T124 PolarHBondContact O-OG1 3.01Å
125	V	77.5	Confident	72	Confident	22 Å²	22	54.4 Å²	54.4	13%	0.133	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.5	174	176.5	0	0	0	0	108.9	L116 S117 W127 P416 F417	L116-V125 HydrophobicContact CD2-CB 3.89Å; L116-V125 HydrophobicContact CD2-CG1 3.9Å; S117-V125 PolarHBondContact N-O 3.07Å; V125-W127 PolarHBondContact O-N 3.19Å; V125-P416 HydrophobicContact CG2-CG 3.49Å; V125-P416 VanDerWaalsContact CG2-CG 3.49Å; V125-F417 HydrophobicContact CB-CE1 4.39Å; V125-F417 HydrophobicContact CG1-CE1 3.75Å; V125-F417 HydrophobicContact CG1-CZ 3.67Å; V125-F417 HydrophobicContact CG2-CE1 4.13Å
126	P	83.1	Confident	73.3	Confident	32 Å²	32	54.9 Å²	54.9	21%	0.208	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	128.7	175.7	-27.5	35.7	0	0	0	111.5
127	W	83.6	Confident	74.5	Confident	13 Å²	13	58.5 Å²	58.5	5%	0.049	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.2	145.3	176.8	179.4	91.2	0	0	0	112	T43 L116 S117 R118 V125 P129 D134 F138	T43-W127 PolarHBondContact OG1-NE1 3.45Å; L116-W127 HydrophobicContact CB-CB 4.33Å; S117-W127 PolarHBondContact O-N 2.88Å; R118-W127 HydrophobicContact CG-CB 3.83Å; R118-W127 HydrophobicContact CG-CD2 4.45Å; R118-W127 HydrophobicContact CG-CE3 4.41Å; R118-W127 HydrophobicContact CG-CG 4.23Å; V125-W127 PolarHBondContact O-N 3.19Å; W127-P129 HydrophobicContact CH2-CB 4.18Å; W127-D134 HydrophobicContact CZ2-CB 4.48Å; W127-F138 AromaticContact CH2-CD1 3.8Å; W127-F138 HydrophobicContact CH2-CD1 3.8Å; W127-F138 AromaticContact CH2-CE1 3.97Å; W127-F138 HydrophobicContact CH2-CE1 3.97Å; W127-F138 AromaticContact CZ3-CD1 3.67Å; W127-F138 HydrophobicContact CZ3-CD1 3.67Å; W127-F138 AromaticContact CZ3-CE1 3.91Å; W127-F138 HydrophobicContact CZ3-CE1 3.91Å
128	F	89.2	Confident	75.5	Confident	5 Å²	5	58.2 Å²	58.2	2%	0.022	28%	0.277	C	S	.	.			trans	-146.8	151.3	172.7	62.1	-85.1	0	0	0	110.2	L116 K130 L318 F417 V419 I428 V430	L116-F128 HydrophobicContact CD1-CE1 4.38Å; L116-F128 HydrophobicContact CD2-CD1 4.45Å; L116-F128 HydrophobicContact CD2-CE1 4.02Å; F128-K130 HydrophobicContact CE2-CG 4.42Å; F128-L318 HydrophobicContact CB-CB 4.26Å; F128-L318 HydrophobicContact CB-CD2 3.99Å; F128-L318 HydrophobicContact CD2-CB 3.83Å; F128-L318 HydrophobicContact CD2-CD1 4.16Å; F128-L318 HydrophobicContact CD2-CD2 4.17Å; F128-L318 HydrophobicContact CD2-CG 4.28Å; F128-L318 HydrophobicContact CE2-CB 4.32Å; F128-L318 HydrophobicContact CG-CB 3.96Å; F128-L318 HydrophobicContact CG-CD2 4.39Å; F128-F417 HydrophobicContact CE1-CE1 4.49Å; F128-F417 AromaticContact CE1-CE2 3.98Å; F128-F417 HydrophobicContact CE1-CE2 3.98Å; F128-F417 AromaticContact CE1-CZ 3.54Å; F128-F417 HydrophobicContact CE1-CZ 3.54Å; F128-F417 HydrophobicContact CZ-CE2 4.03Å; F128-F417 AromaticContact CZ-CZ 3.96Å; F128-F417 HydrophobicContact CZ-CZ 3.96Å; F128-V419 HydrophobicContact CZ-CG1 4.46Å; F128-I428 HydrophobicContact CE2-CG2 3.96Å; F128-V430 HydrophobicContact CE2-CG2 4.36Å; F128-V430 HydrophobicContact CZ-CG2 3.84Å
129	P	88.8	Confident	76.5	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.013	27%	0.267	C	S	.	.			trans	-60.9	136.9	176.1	24.8	-34.9	0	0	0	111.2	W127 D134 L135 F138 A263 F267	W127-P129 HydrophobicContact CH2-CB 4.18Å; P129-D134 HydrophobicContact CB-CB 3.5Å; P129-L135 HydrophobicContact CB-CD2 4.08Å; P129-L135 HydrophobicContact CG-CD2 3.84Å; P129-F138 HydrophobicContact CB-CE1 4.1Å; P129-F138 HydrophobicContact CG-CE1 3.81Å; P129-F138 HydrophobicContact CG-CZ 4.11Å; P129-A263 HydrophobicContact CG-CB 3.95Å; P129-F267 HydrophobicContact CB-CE2 4.05Å; P129-F267 HydrophobicContact CB-CZ 4.15Å; P129-F267 HydrophobicContact CG-CE2 3.75Å; P129-F267 HydrophobicContact CG-CZ 4.32Å; P129-F267 WeakPolarHBondContact O-CZ 3.26Å
130	K	86.6	Confident	77.5	Confident	30 Å²	30	54.7 Å²	54.7	13%	0.13	26%	0.263	C	S	.	.	S	Bend	trans	-102	-34	177.6	-69.9	-125.7	-172.3	164.4	0	111.9	I45 F87 F128 D134 S427 I428	I45-K130 HydrophobicContact CD1-CD 4.13Å; F87-K130 HydrophobicContact CE1-CD 4.13Å; F128-K130 HydrophobicContact CE2-CG 4.42Å; K130-D134 PolarHBondContact N-OD2 3.31Å; K130-S427 CarbonylContact O-C 3.45Å; K130-S427 WeakPolarHBondContact O-CA 3.41Å; K130-S427 WeakPolarHBondContact O-CB 3.23Å; K130-I428 PolarHBondContact O-N 2.93Å
131	D	91.4	Very high	78.6	Confident	48 Å²	48	50.2 Å²	50.2	26%	0.257	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-114.3	151.3	175.2	-69.2	-76.1	0	0	0	110.3	Q133 D134 F267 S427	D131-Q133 PolarHBondContact O-N 3.3Å; D131-D134 PolarHBondContact N-OD2 3.32Å; D131-D134 VanDerWaalsContact O-CB 3.28Å; D131-D134 WeakPolarHBondContact O-CB 3.17Å; D131-D134 PolarHBondContact O-N 3.05Å; D131-F267 VanDerWaalsContact C-CE1 3.49Å; D131-S427 WeakPolarHBondContact OD1-CB 3.35Å
132	I	94.7	Very high	79.7	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-58	-23	-179.9	-165.4	165.3	0	0	0	113.2	L135 H177 F267 V269 Q426	I132-L135 HydrophobicContact CG1-CD1 4.21Å; I132-L135 VanDerWaalsContact O-CG 3.3Å; I132-L135 WeakPolarHBondContact O-CG 3.42Å; I132-H177 VanDerWaalsContact CG2-CE1 3.43Å; I132-H177 WeakPolarHBondContact CG2-CE1 2.82Å; I132-F267 HydrophobicContact CB-CD1 3.77Å; I132-F267 HydrophobicContact CB-CE1 4.38Å; I132-F267 HydrophobicContact CB-CG 4.44Å; I132-F267 HydrophobicContact CD1-CB 4.2Å; I132-F267 HydrophobicContact CG1-CB 4.07Å; I132-F267 HydrophobicContact CG1-CD1 4.16Å; I132-F267 HydrophobicContact CG1-CG 4.37Å; I132-V269 HydrophobicContact CD1-CG2 3.72Å; I132-V269 HydrophobicContact CG1-CG2 3.88Å; I132-Q426 HydrophobicContact CB-CB 4.05Å; I132-Q426 HydrophobicContact CD1-CB 4.43Å; I132-Q426 HydrophobicContact CG2-CB 3.69Å; I132-Q426 PolarHBondContact N-O 3.01Å
133	Q	93.1	Very high	80.8	Confident	131 Å²	131	44 Å²	44	61%	0.612	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-73.8	-26.4	176	-64.8	175	36	0	0	112.4	D131 L135 D136 H177	D131-Q133 PolarHBondContact O-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.08Å; Q133-L135 VanDerWaalsContact O-N 3.08Å; Q133-D136 WeakPolarHBondContact O-CB 3.46Å; Q133-D136 PolarHBondContact O-N 2.95Å; Q133-H177 HydrophobicContact CG-CB 4.34Å
134	D	88.8	Confident	81.3	Confident	30 Å²	30	38.4 Å²	38.4	16%	0.16	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18.7	178.2	-75.7	-42.7	0	0	0	112.8	W127 P129 K130 D131 D136 R137	W127-D134 HydrophobicContact CZ2-CB 4.48Å; P129-D134 HydrophobicContact CB-CB 3.5Å; K130-D134 PolarHBondContact N-OD2 3.31Å; D131-D134 PolarHBondContact N-OD2 3.32Å; D131-D134 VanDerWaalsContact O-CB 3.28Å; D131-D134 WeakPolarHBondContact O-CB 3.17Å; D131-D134 PolarHBondContact O-N 3.05Å; D134-D136 PolarHBondContact O-N 2.73Å; D134-R137 VanDerWaalsContact O-CB 3.25Å; D134-R137 WeakPolarHBondContact O-CB 3.45Å; D134-R137 WeakPolarHBondContact O-CG 2.96Å; D134-R137 PolarHBondContact O-N 2.77Å; D134-R137 IonicContact OD1-NH1 3.07Å
135	L	90.8	Very high	81.4	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.3	-27.7	173.6	-56.4	-179	0	0	0	111.7	P129 I132 Q133 R137 F138 A139 F267 V269	P129-L135 HydrophobicContact CB-CD2 4.08Å; P129-L135 HydrophobicContact CG-CD2 3.84Å; I132-L135 HydrophobicContact CG1-CD1 4.21Å; I132-L135 VanDerWaalsContact O-CG 3.3Å; I132-L135 WeakPolarHBondContact O-CG 3.42Å; Q133-L135 PolarHBondContact O-N 3.08Å; Q133-L135 VanDerWaalsContact O-N 3.08Å; L135-R137 PolarHBondContact O-N 3.35Å; L135-R137 VanDerWaalsContact O-N 3.16Å; L135-F138 HydrophobicContact CB-CZ 4.35Å; L135-F138 HydrophobicContact CD2-CE1 3.88Å; L135-F138 HydrophobicContact CD2-CE2 4.15Å; L135-F138 HydrophobicContact CD2-CZ 3.29Å; L135-F138 HydrophobicContact CG-CZ 4.4Å; L135-F138 PolarHBondContact O-N 3.39Å; L135-A139 WeakPolarHBondContact O-CB 3.35Å; L135-A139 PolarHBondContact O-N 3.19Å; L135-A139 VanDerWaalsContact O-N 3.08Å; L135-F267 HydrophobicContact CD1-CB 4.48Å; L135-F267 HydrophobicContact CD2-CD2 4.25Å; L135-V269 HydrophobicContact CD1-CB 3.69Å; L135-V269 HydrophobicContact CD1-CG1 3.8Å; L135-V269 HydrophobicContact CD1-CG2 3.58Å
136	D	84.9	Confident	80.8	Confident	33 Å²	33	38.9 Å²	38.9	18%	0.176	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.3	-21.3	174.6	-75.1	-24	0	0	0	113.4	Q133 D134 K176 H177 R250	Q133-D136 WeakPolarHBondContact O-CB 3.46Å; Q133-D136 PolarHBondContact O-N 2.95Å; D134-D136 PolarHBondContact O-N 2.73Å; D136-K176 HydrophobicContact CB-CD 4.06Å; D136-K176 WeakPolarHBondContact OD1-CA 3.39Å; D136-H177 PolarHBondContact OD1-N 2.86Å; D136-H177 PolarHBondContact OD2-N 3.36Å; D136-R250 IonicContact OD1-CZ 3.81Å; D136-R250 IonicContact OD1-NH1 2.66Å; D136-R250 PolarHBondContact OD1-NH1 2.63Å; D136-R250 IonicContact OD1-NH2 3.6Å; D136-R250 PolarHBondContact OD1-NH2 3.21Å
137	R	81.2	Confident	80.2	Confident	80 Å²	80	39.6 Å²	39.6	30%	0.302	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-76.7	-22.5	-176	-59.3	176.5	67	174.5	3	113.2	D134 L135	D134-R137 VanDerWaalsContact O-CB 3.25Å; D134-R137 WeakPolarHBondContact O-CB 3.45Å; D134-R137 WeakPolarHBondContact O-CG 2.96Å; D134-R137 PolarHBondContact O-N 2.77Å; D134-R137 IonicContact OD1-NH1 3.07Å; L135-R137 PolarHBondContact O-N 3.35Å; L135-R137 VanDerWaalsContact O-N 3.16Å
138	F	77.6	Confident	79.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-7.6	-177.6	59.9	-104.7	0	0	0	114.5	W127 P129 L135 N140 Q141 D260 A263	W127-F138 AromaticContact CH2-CD1 3.8Å; W127-F138 HydrophobicContact CH2-CD1 3.8Å; W127-F138 AromaticContact CH2-CE1 3.97Å; W127-F138 HydrophobicContact CH2-CE1 3.97Å; W127-F138 AromaticContact CZ3-CD1 3.67Å; W127-F138 HydrophobicContact CZ3-CD1 3.67Å; W127-F138 AromaticContact CZ3-CE1 3.91Å; W127-F138 HydrophobicContact CZ3-CE1 3.91Å; P129-F138 HydrophobicContact CB-CE1 4.1Å; P129-F138 HydrophobicContact CG-CE1 3.81Å; P129-F138 HydrophobicContact CG-CZ 4.11Å; L135-F138 HydrophobicContact CB-CZ 4.35Å; L135-F138 HydrophobicContact CD2-CE1 3.88Å; L135-F138 HydrophobicContact CD2-CE2 4.15Å; L135-F138 HydrophobicContact CD2-CZ 3.29Å; L135-F138 HydrophobicContact CG-CZ 4.4Å; L135-F138 PolarHBondContact O-N 3.39Å; F138-N140 PolarHBondContact O-N 3.08Å; F138-Q141 HydrophobicContact CB-CG 4.41Å; F138-Q141 WeakPolarHBondContact O-CB 3.49Å; F138-Q141 PolarHBondContact O-N 3.02Å; F138-D260 HydrophobicContact CD2-CB 3.44Å; F138-D260 VanDerWaalsContact CD2-CB 3.44Å; F138-D260 HydrophobicContact CE2-CB 3.61Å; F138-D260 WeakPolarHBondContact CE2-O 3.47Å; F138-D260 HydrophobicContact CG-CB 4.15Å; F138-D260 HydrophobicContact CZ-CB 4.42Å; F138-A263 HydrophobicContact CZ-CB 4.48Å
139	A	76.1	Confident	79.1	Confident	3 Å²	3	47.4 Å²	47.4	3%	0.025	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.9	179.6	0	0	0	0	0	114.8	L135	L135-A139 WeakPolarHBondContact O-CB 3.35Å; L135-A139 PolarHBondContact O-N 3.19Å; L135-A139 VanDerWaalsContact O-N 3.08Å
140	N	72.7	Confident	78.6	Confident	61 Å²	61	51.3 Å²	51.3	33%	0.326	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	2.3	178.2	-62.4	-4.1	0	0	0	113.2	F138 I142 Y173	F138-N140 PolarHBondContact O-N 3.08Å; N140-I142 VanDerWaalsContact C-N 3.27Å; N140-I142 PolarHBondContact O-N 2.99Å; N140-Y173 HydrophobicContact CB-CD1 3.86Å; N140-Y173 HydrophobicContact CB-CE1 4.28Å; N140-Y173 PolarHBondContact ND2-O 2.95Å; N140-Y173 WeakPolarHBondContact OD1-CA 3.36Å
141	Q	76.6	Confident	78.3	Confident	75 Å²	75	53.7 Å²	53.7	35%	0.35	29%	0.285	S	S	.	.			trans	-85.7	70.2	179.6	-62.4	-174.7	-2.8	0	0	110.2	R118 F138	R118-Q141 VanDerWaalsContact NH1-CD 3.35Å; F138-Q141 HydrophobicContact CB-CG 4.41Å; F138-Q141 WeakPolarHBondContact O-CB 3.49Å; F138-Q141 PolarHBondContact O-N 3.02Å
142	I	72.2	Confident	77.8	Confident	38 Å²	38	58 Å²	58	20%	0.195	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.2	-177	-51.5	-56	0	0	0	110.1	N140 S144 Y173 V252 A253 L256	N140-I142 VanDerWaalsContact C-N 3.27Å; N140-I142 PolarHBondContact O-N 2.99Å; I142-S144 VanDerWaalsContact CG2-O 3.29Å; I142-S144 WeakPolarHBondContact CG2-O 3.38Å; I142-Y173 HydrophobicContact CG1-CE1 3.83Å; I142-V252 HydrophobicContact CD1-CG2 3.88Å; I142-A253 HydrophobicContact CD1-CB 4.03Å; I142-A253 HydrophobicContact CG1-CB 3.99Å; I142-L256 HydrophobicContact CD1-CD2 3.96Å
143	L	67.5	Low	77.3	Confident	128 Å²	128	58.5 Å²	58.5	67%	0.67	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	-41.6	176	-66.4	-179.2	0	0	0	112.3	L255	L143-L255 PolarHBondContact N-O 2.89Å
144	S	64.8	Low	77.1	Confident	44 Å²	44	54.4 Å²	54.4	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	170.3	-176.7	63.3	0	0	0	0	111.7	I142 G146 L255	I142-S144 VanDerWaalsContact CG2-O 3.29Å; I142-S144 WeakPolarHBondContact CG2-O 3.38Å; S144-G146 PolarHBondContact O-N 3.03Å; S144-L255 PolarHBondContact O-N 3.19Å
145	Y	67.7	Low	77	Confident	52 Å²	52	53 Å²	53	20%	0.204	29%	0.287	C	S	.	.	S	Bend	trans	56.4	31.9	176.5	-48.5	-49.7	0	0	0	113.8	D150 R165 G254 L255 E287	Y145-D150 WeakPolarHBondContact CE1-OD2 3.49Å; Y145-R165 VanDerWaalsContact C-NH2 3.34Å; Y145-R165 PolarHBondContact O-NH2 3.09Å; Y145-G254 WeakPolarHBondContact O-CA 3.42Å; Y145-L255 HydrophobicContact CD2-CD1 3.38Å; Y145-L255 HydrophobicContact CD2-CG 3.76Å; Y145-L255 HydrophobicContact CE2-CD1 3.47Å; Y145-L255 VanDerWaalsContact CE2-CD1 3.47Å; Y145-L255 HydrophobicContact CE2-CG 4.35Å; Y145-E287 WeakPolarHBondContact CB-OE1 3.29Å; Y145-E287 HydrophobicContact CD1-CG 3.64Å; Y145-E287 VanDerWaalsContact CD1-OE1 3.28Å; Y145-E287 WeakPolarHBondContact CD1-OE1 3.45Å; Y145-E287 HydrophobicContact CD2-CG 4.31Å; Y145-E287 HydrophobicContact CE1-CG 4.07Å; Y145-E287 HydrophobicContact CG-CG 3.78Å
146	G	65.4	Low	77	Confident	7 Å²	7	56.4 Å²	56.4	7%	0.072	30%	0.302	C	S	.	.	S	Bend	trans	-78.7	-129.9	173.3	0	0	0	0	0	112	S144 R165	S144-G146 PolarHBondContact O-N 3.03Å; G146-R165 PolarHBondContact O-NE 3.39Å; G146-R165 PolarHBondContact O-NH2 2.9Å
147	S	71	Confident	77.3	Confident	46 Å²	46	63.7 Å²	63.7	32%	0.322	33%	0.332	S	S	.	.	S	Bend	trans	-76.9	-25.2	172.5	53	0	0	0	0	113.2
148	E	73.3	Confident	77.9	Confident	168 Å²	168	62.1 Å²	62.1	79%	0.785	33%	0.33	S	S	*	.	S	Bend	trans	-90.5	133.3	175.5	-62.5	-170.6	169.3	0	0	110.7
149	L	76.1	Confident	78.7	Confident	15 Å²	15	66 Å²	66	8%	0.079	36%	0.355	C	S	.	.			trans	-109.8	143.9	-178.1	-55.5	177.3	0	0	0	109.7	H153 F156 Y161 R162	L149-H153 HydrophobicContact CB-CB 4.07Å; L149-F156 HydrophobicContact CB-CD2 4.41Å; L149-F156 VanDerWaalsContact O-CD2 3.3Å; L149-F156 WeakPolarHBondContact O-CD2 3.5Å; L149-F156 WeakPolarHBondContact O-CE2 3.49Å; L149-Y161 HydrophobicContact CD1-CD1 3.82Å; L149-Y161 HydrophobicContact CD1-CE1 3.86Å; L149-R162 HydrophobicContact CD1-CG 3.9Å
150	D	77.8	Confident	79.7	Confident	84 Å²	84	71 Å²	71	45%	0.449	39%	0.385	S	S	.	.			trans	-64.4	153	172.4	-65.2	-43.8	0	0	0	111.6	Y145 D152 H153 F156	Y145-D150 WeakPolarHBondContact CE1-OD2 3.49Å; D150-D152 VanDerWaalsContact CB-OD1 3.26Å; D150-D152 WeakPolarHBondContact CB-OD1 3.25Å; D150-D152 PolarHBondContact O-N 2.76Å; D150-D152 VanDerWaalsContact O-N 3.16Å; D150-H153 WeakPolarHBondContact O-CB 3.28Å; D150-H153 PolarHBondContact O-N 2.79Å; D150-F156 WeakPolarHBondContact O-CB 3.4Å; D150-F156 VanDerWaalsContact O-CD2 3.31Å; D150-F156 WeakPolarHBondContact O-CD2 3.42Å
151	A	80.4	Confident	80.8	Confident	80 Å²	80	69.2 Å²	69.2	66%	0.661	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.2	-173.4	0	0	0	0	0	114.1	F156	A151-F156 HydrophobicContact CB-CE1 4.42Å; A151-F156 HydrophobicContact CB-CE2 4.48Å; A151-F156 HydrophobicContact CB-CZ 4.35Å
152	D	81.4	Confident	81.5	Confident	139 Å²	139	70.5 Å²	70.5	74%	0.743	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.2	177.2	64.9	-30.9	0	0	0	113.4	D150	D150-D152 VanDerWaalsContact CB-OD1 3.26Å; D150-D152 WeakPolarHBondContact CB-OD1 3.25Å; D150-D152 PolarHBondContact O-N 2.76Å; D150-D152 VanDerWaalsContact O-N 3.16Å
153	H	84.9	Confident	82.6	Confident	14 Å²	14	71.2 Å²	71.2	7%	0.065	39%	0.387	C	S	.	.	S	Bend	trans	-62.7	134.5	175	-173.5	-80.9	0	0	0	110.6	L149 D150 G155 F156 Y161 E287	L149-H153 HydrophobicContact CB-CB 4.07Å; D150-H153 WeakPolarHBondContact O-CB 3.28Å; D150-H153 PolarHBondContact O-N 2.79Å; H153-G155 PolarHBondContact ND1-N 2.84Å; H153-G155 PolarHBondContact O-N 3.14Å; H153-G155 VanDerWaalsContact O-N 3.11Å; H153-F156 HydrophobicContact CB-CB 4.47Å; H153-F156 WeakPolarHBondContact O-CB 3.45Å; H153-F156 PolarHBondContact O-N 3.07Å; H153-Y161 AromaticContact CE1-CE1 3.49Å; H153-Y161 VanDerWaalsContact CE1-CE1 3.49Å; H153-Y161 WeakPolarHBondContact CE1-CE1 3.48Å; H153-E287 IonicContact CD2-OE1 3.1Å; H153-E287 IonicContact CD2-OE2 3.45Å; H153-E287 IonicContact NE2-OE1 3.52Å; H153-E287 IonicContact NE2-OE2 3.56Å; H153-E287 PolarHBondContact NE2-OE2 3.04Å; H153-E287 VanDerWaalsContact NE2-OE2 3.1Å
154	P	87.3	Confident	84	Confident	45 Å²	45	67.2 Å²	67.2	29%	0.292	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.8	-175.9	21.6	-33.6	0	0	0	114	H278 K281	P154-H278 HydrophobicContact CB-CB 4.29Å; P154-H278 HydrophobicContact CG-CB 4.04Å; P154-K281 HydrophobicContact CB-CD 4.12Å; P154-K281 HydrophobicContact CB-CG 4.41Å; P154-K281 HydrophobicContact CG-CD 4.39Å
155	G	88.4	Confident	85.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.6	175	0	0	0	0	0	115.5	H153 K157 D158	H153-G155 PolarHBondContact ND1-N 2.84Å; H153-G155 PolarHBondContact O-N 3.14Å; H153-G155 VanDerWaalsContact O-N 3.11Å; G155-K157 VanDerWaalsContact C-N 3.27Å; G155-K157 PolarHBondContact O-N 3.21Å; G155-D158 PolarHBondContact O-N 3.23Å; G155-D158 VanDerWaalsContact O-N 3.08Å
156	F	88.8	Confident	86.6	Confident	73 Å²	73	68.4 Å²	68.4	32%	0.32	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.1	-175.1	179.5	-102.8	0	0	0	112.9	L149 D150 A151 H153 R162	L149-F156 HydrophobicContact CB-CD2 4.41Å; L149-F156 VanDerWaalsContact O-CD2 3.3Å; L149-F156 WeakPolarHBondContact O-CD2 3.5Å; L149-F156 WeakPolarHBondContact O-CE2 3.49Å; D150-F156 WeakPolarHBondContact O-CB 3.4Å; D150-F156 VanDerWaalsContact O-CD2 3.31Å; D150-F156 WeakPolarHBondContact O-CD2 3.42Å; A151-F156 HydrophobicContact CB-CE1 4.42Å; A151-F156 HydrophobicContact CB-CE2 4.48Å; A151-F156 HydrophobicContact CB-CZ 4.35Å; H153-F156 HydrophobicContact CB-CB 4.47Å; H153-F156 WeakPolarHBondContact O-CB 3.45Å; H153-F156 PolarHBondContact O-N 3.07Å; F156-R162 WeakPolarHBondContact O-CD 3.47Å; F156-R162 PolarHBondContact O-NH1 3.34Å
157	K	91.3	Very high	88	Confident	185 Å²	185	72.7 Å²	72.7	80%	0.804	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.1	179.5	-64.5	-168.2	179.4	-177.7	0	113.8	G155 P159	G155-K157 VanDerWaalsContact C-N 3.27Å; G155-K157 PolarHBondContact O-N 3.21Å; K157-P159 VanDerWaalsContact O-CD 3.29Å; K157-P159 WeakPolarHBondContact O-CD 3.3Å
158	D	94.4	Very high	89.3	Confident	47 Å²	47	70.9 Å²	70.9	25%	0.251	37%	0.368	S	S	.	.			trans	-90.7	107.8	-179.6	-175	-22.7	0	0	0	110	G155 V160 Y161 R162 H278	G155-D158 PolarHBondContact O-N 3.23Å; G155-D158 VanDerWaalsContact O-N 3.08Å; D158-V160 VanDerWaalsContact C-N 3.29Å; D158-V160 PolarHBondContact O-N 3.31Å; D158-V160 WeakPolarHBondContact OD1-CA 3.18Å; D158-V160 WeakPolarHBondContact OD1-CB 3.41Å; D158-V160 PolarHBondContact OD1-N 3.21Å; D158-Y161 PolarHBondContact OD1-N 3.43Å; D158-R162 WeakPolarHBondContact O-CG 3.38Å; D158-R162 PolarHBondContact O-N 2.8Å; D158-R162 VanDerWaalsContact O-N 3.11Å; D158-H278 IonicContact OD2-NE2 2.87Å; D158-H278 PolarHBondContact OD2-NE2 3.17Å
159	P	94.5	Very high	90.1	Very high	81 Å²	81	62.9 Å²	62.9	53%	0.526	33%	0.331	S	S	.	.	H	α-helix	trans	-66.8	-29.8	179.6	29.2	-34.6	0	0	0	113.1	K157 A163	K157-P159 VanDerWaalsContact O-CD 3.29Å; K157-P159 WeakPolarHBondContact O-CD 3.3Å; P159-A163 WeakPolarHBondContact O-CB 3.43Å; P159-A163 PolarHBondContact O-N 3.27Å; P159-A163 VanDerWaalsContact O-N 3.1Å
160	V	96.8	Very high	90.9	Very high	110 Å²	110	65.5 Å²	65.5	67%	0.667	35%	0.345	S	S	*	.	H	α-helix	trans	-72	-47.8	179.4	-179.9	0	0	0	0	109.3	D158 R162 A163 R164	D158-V160 VanDerWaalsContact C-N 3.29Å; D158-V160 PolarHBondContact O-N 3.31Å; D158-V160 WeakPolarHBondContact OD1-CA 3.18Å; D158-V160 WeakPolarHBondContact OD1-CB 3.41Å; D158-V160 PolarHBondContact OD1-N 3.21Å; V160-R162 VanDerWaalsContact C-N 3.35Å; V160-R162 PolarHBondContact O-N 3.21Å; V160-A163 PolarHBondContact O-N 2.93Å; V160-R164 VanDerWaalsContact O-CB 3.28Å; V160-R164 WeakPolarHBondContact O-CB 3.48Å; V160-R164 PolarHBondContact O-N 2.9Å
161	Y	95.6	Very high	91.8	Very high	23 Å²	23	63.4 Å²	63.4	9%	0.09	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-40.2	177.5	-174	-96.5	0	0	0	112.5	L149 H153 D158 R164 R165 I276 H278	L149-Y161 HydrophobicContact CD1-CD1 3.82Å; L149-Y161 HydrophobicContact CD1-CE1 3.86Å; H153-Y161 AromaticContact CE1-CE1 3.49Å; H153-Y161 VanDerWaalsContact CE1-CE1 3.49Å; H153-Y161 WeakPolarHBondContact CE1-CE1 3.48Å; D158-Y161 PolarHBondContact OD1-N 3.43Å; Y161-R164 PolarHBondContact O-N 2.83Å; Y161-R165 HydrophobicContact CD1-CG 4.11Å; Y161-R165 HydrophobicContact CE1-CG 3.74Å; Y161-R165 WeakPolarHBondContact O-CG 3.48Å; Y161-R165 PolarHBondContact O-N 2.75Å; Y161-I276 WeakPolarHBondContact CE2-O 3.31Å; Y161-I276 PolarHBondContact OH-O 2.81Å; Y161-H278 HydrophobicContact CD2-CB 4.42Å; Y161-H278 AromaticContact CD2-CD2 3.72Å; Y161-H278 HydrophobicContact CE2-CB 4.02Å; Y161-H278 AromaticContact CG-CD2 3.69Å; Y161-H278 PolarHBondContact OH-N 3.41Å
162	R	92.7	Very high	92.4	Very high	101 Å²	101	59.8 Å²	59.8	38%	0.381	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.5	-71.3	-177.2	-52.8	-150.8	7.9	112.5	L149 F156 D158 V160 R164 R165 K166	L149-R162 HydrophobicContact CD1-CG 3.9Å; F156-R162 WeakPolarHBondContact O-CD 3.47Å; F156-R162 PolarHBondContact O-NH1 3.34Å; D158-R162 WeakPolarHBondContact O-CG 3.38Å; D158-R162 PolarHBondContact O-N 2.8Å; D158-R162 VanDerWaalsContact O-N 3.11Å; V160-R162 VanDerWaalsContact C-N 3.35Å; V160-R162 PolarHBondContact O-N 3.21Å; R162-R164 VanDerWaalsContact C-N 3.29Å; R162-R164 PolarHBondContact O-N 3.43Å; R162-R165 PolarHBondContact O-N 3.26Å; R162-K166 PolarHBondContact O-N 2.94Å
163	A	95	Very high	92.6	Very high	53 Å²	53	56.2 Å²	56.2	44%	0.438	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-43.3	175.4	0	0	0	0	0	110.7	P159 V160 R165 K166 E167	P159-A163 WeakPolarHBondContact O-CB 3.43Å; P159-A163 PolarHBondContact O-N 3.27Å; P159-A163 VanDerWaalsContact O-N 3.1Å; V160-A163 PolarHBondContact O-N 2.93Å; A163-R165 PolarHBondContact O-N 2.89Å; A163-K166 WeakPolarHBondContact O-CB 3.46Å; A163-K166 PolarHBondContact O-N 3.07Å; A163-K166 VanDerWaalsContact O-N 3.16Å; A163-E167 PolarHBondContact O-N 2.78Å; A163-E167 VanDerWaalsContact O-N 3.11Å
164	R	96.8	Very high	93	Very high	44 Å²	44	61.1 Å²	61.1	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-40.3	176.4	-174.1	54.5	167.9	-178	-4.7	112.8	V160 Y161 R162 K166 E167 F168 E185 E190	V160-R164 VanDerWaalsContact O-CB 3.28Å; V160-R164 WeakPolarHBondContact O-CB 3.48Å; V160-R164 PolarHBondContact O-N 2.9Å; Y161-R164 PolarHBondContact O-N 2.83Å; R162-R164 VanDerWaalsContact C-N 3.29Å; R162-R164 PolarHBondContact O-N 3.43Å; R164-K166 VanDerWaalsContact C-N 3.34Å; R164-K166 PolarHBondContact O-N 3.38Å; R164-E167 WeakPolarHBondContact CD-OE2 3.35Å; R164-E167 IonicContact CZ-OE2 2.67Å; R164-E167 IonicContact NE-OE2 3.81Å; R164-E167 IonicContact NH1-OE2 3.11Å; R164-E167 PolarHBondContact NH1-OE2 2.87Å; R164-E167 WeakPolarHBondContact O-CB 3.37Å; R164-E167 PolarHBondContact O-N 3.15Å; R164-F168 HydrophobicContact CG-CD2 4.38Å; R164-F168 HydrophobicContact CG-CE2 3.82Å; R164-F168 WeakPolarHBondContact O-CD2 3.47Å; R164-F168 PolarHBondContact O-N 2.88Å; R164-E185 PolarHBondContact NH2-O 2.66Å; R164-E190 WeakPolarHBondContact CG-OE1 3.11Å; R164-E190 IonicContact CZ-OE1 2.75Å; R164-E190 IonicContact CZ-OE2 3.59Å; R164-E190 IonicContact NE-OE1 2.71Å; R164-E190 PolarHBondContact NE-OE1 3.32Å; R164-E190 IonicContact NE-OE2 2.84Å; R164-E190 IonicContact NH2-OE1 3.15Å; R164-E190 IonicContact NH2-OE2 2.71Å; R164-E190 PolarHBondContact NH2-OE2 2.67Å
165	R	94.2	Very high	93.5	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-39	172.9	-80.9	-71.3	-70.9	-87.3	-0.9	112.9	Y145 G146 Y161 R162 A163 E167 F168 A169 Y275 E287	Y145-R165 VanDerWaalsContact C-NH2 3.34Å; Y145-R165 PolarHBondContact O-NH2 3.09Å; G146-R165 PolarHBondContact O-NE 3.39Å; G146-R165 PolarHBondContact O-NH2 2.9Å; Y161-R165 HydrophobicContact CD1-CG 4.11Å; Y161-R165 HydrophobicContact CE1-CG 3.74Å; Y161-R165 WeakPolarHBondContact O-CG 3.48Å; Y161-R165 PolarHBondContact O-N 2.75Å; R162-R165 PolarHBondContact O-N 3.26Å; A163-R165 PolarHBondContact O-N 2.89Å; R165-E167 VanDerWaalsContact C-N 3.34Å; R165-F168 PolarHBondContact O-N 3.02Å; R165-A169 PolarHBondContact O-N 2.87Å; R165-Y275 VanDerWaalsContact CD-CB 3.48Å; R165-Y275 VanDerWaalsContact CD-CG 3.4Å; R165-E287 IonicContact CZ-OE1 3.97Å; R165-E287 IonicContact CZ-OE2 2.8Å; R165-E287 IonicContact NH1-OE1 3.74Å; R165-E287 PolarHBondContact NH1-OE1 3.37Å; R165-E287 IonicContact NH1-OE2 2.72Å; R165-E287 PolarHBondContact NH1-OE2 3.39Å; R165-E287 IonicContact NH2-OE1 3.9Å; R165-E287 PolarHBondContact NH2-OE1 3.24Å; R165-E287 IonicContact NH2-OE2 3.68Å
166	K	92.3	Very high	93.8	Very high	117 Å²	117	63.7 Å²	63.7	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-41.5	174.7	-172.6	-178	174.3	-175.8	0	111.7	R162 A163 R164 F168 A169 D170	R162-K166 PolarHBondContact O-N 2.94Å; A163-K166 WeakPolarHBondContact O-CB 3.46Å; A163-K166 PolarHBondContact O-N 3.07Å; A163-K166 VanDerWaalsContact O-N 3.16Å; R164-K166 VanDerWaalsContact C-N 3.34Å; R164-K166 PolarHBondContact O-N 3.38Å; K166-F168 VanDerWaalsContact C-N 3.34Å; K166-F168 PolarHBondContact O-N 3.04Å; K166-A169 PolarHBondContact O-N 3.39Å; K166-D170 WeakPolarHBondContact O-CB 3.35Å; K166-D170 VanDerWaalsContact O-CG 3.26Å; K166-D170 PolarHBondContact O-N 3.33Å
167	E	96.2	Very high	94.1	Very high	97 Å²	97	62 Å²	62	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-57	-45.7	175.6	-65.9	170.8	-168.9	0	0	112.1	A163 R164 R165 D170 I171	A163-E167 PolarHBondContact O-N 2.78Å; A163-E167 VanDerWaalsContact O-N 3.11Å; R164-E167 WeakPolarHBondContact CD-OE2 3.35Å; R164-E167 IonicContact CZ-OE2 2.67Å; R164-E167 IonicContact NE-OE2 3.81Å; R164-E167 IonicContact NH1-OE2 3.11Å; R164-E167 PolarHBondContact NH1-OE2 2.87Å; R164-E167 WeakPolarHBondContact O-CB 3.37Å; R164-E167 PolarHBondContact O-N 3.15Å; R165-E167 VanDerWaalsContact C-N 3.34Å; E167-D170 PolarHBondContact O-N 3.49Å; E167-I171 WeakPolarHBondContact O-CG1 3.35Å; E167-I171 PolarHBondContact O-N 3.47Å; E167-I171 VanDerWaalsContact O-N 3.1Å
168	F	96.4	Very high	94.3	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-39.9	176.2	-69.2	-67.9	0	0	0	112.8	R164 R165 K166 I171 A172 V184 Y186 Q274	R164-F168 HydrophobicContact CG-CD2 4.38Å; R164-F168 HydrophobicContact CG-CE2 3.82Å; R164-F168 WeakPolarHBondContact O-CD2 3.47Å; R164-F168 PolarHBondContact O-N 2.88Å; R165-F168 PolarHBondContact O-N 3.02Å; K166-F168 VanDerWaalsContact C-N 3.34Å; K166-F168 PolarHBondContact O-N 3.04Å; F168-I171 WeakPolarHBondContact O-CB 3.37Å; F168-I171 PolarHBondContact O-N 3.43Å; F168-A172 PolarHBondContact O-N 3.05Å; F168-V184 HydrophobicContact CD1-CG2 4.19Å; F168-V184 HydrophobicContact CE1-CB 4.03Å; F168-V184 HydrophobicContact CE1-CG1 3.59Å; F168-V184 HydrophobicContact CE1-CG2 3.86Å; F168-V184 HydrophobicContact CZ-CG1 3.99Å; F168-Y186 AromaticContact CE1-CE1 3.9Å; F168-Y186 HydrophobicContact CE1-CE1 3.9Å; F168-Y186 HydrophobicContact CZ-CD1 4.17Å; F168-Y186 AromaticContact CZ-CE1 3.7Å; F168-Y186 HydrophobicContact CZ-CE1 3.7Å; F168-Q274 HydrophobicContact CD1-CB 3.55Å; F168-Q274 HydrophobicContact CE1-CB 3.96Å; F168-Q274 WeakPolarHBondContact CE1-O 3.36Å; F168-Q274 HydrophobicContact CG-CB 4.43Å
169	A	91.1	Very high	94.4	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-43.5	176.2	0	0	0	0	0	111.2	R165 K166 I171 A172 Y173 A253	R165-A169 PolarHBondContact O-N 2.87Å; K166-A169 PolarHBondContact O-N 3.39Å; A169-I171 VanDerWaalsContact C-N 3.31Å; A169-I171 PolarHBondContact O-N 3.07Å; A169-A172 PolarHBondContact O-N 2.9Å; A169-A172 VanDerWaalsContact O-N 3.13Å; A169-Y173 HydrophobicContact CB-CD2 4.28Å; A169-Y173 HydrophobicContact CB-CE2 3.81Å; A169-Y173 WeakPolarHBondContact O-CD2 3.48Å; A169-Y173 VanDerWaalsContact O-CG 3.28Å; A169-Y173 PolarHBondContact O-N 3.11Å; A169-A253 HydrophobicContact CB-CB 3.84Å
170	D	92.6	Very high	94.6	Very high	69 Å²	69	57.8 Å²	57.8	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-38.1	177.5	-70.5	-20	0	0	0	111.4	K166 E167 N174	K166-D170 WeakPolarHBondContact O-CB 3.35Å; K166-D170 VanDerWaalsContact O-CG 3.26Å; K166-D170 PolarHBondContact O-N 3.33Å; E167-D170 PolarHBondContact O-N 3.49Å; D170-N174 WeakPolarHBondContact O-CB 3.42Å; D170-N174 PolarHBondContact O-N 3.1Å; D170-N174 PolarHBondContact O-ND2 3.17Å
171	I	96.3	Very high	94.7	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.205	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-50.9	172.1	-70.3	167.1	0	0	0	110.8	E167 F168 A169 N174 Y175 P182 V184 Q274	E167-I171 WeakPolarHBondContact O-CG1 3.35Å; E167-I171 PolarHBondContact O-N 3.47Å; E167-I171 VanDerWaalsContact O-N 3.1Å; F168-I171 WeakPolarHBondContact O-CB 3.37Å; F168-I171 PolarHBondContact O-N 3.43Å; A169-I171 VanDerWaalsContact C-N 3.31Å; A169-I171 PolarHBondContact O-N 3.07Å; I171-N174 PolarHBondContact O-N 3.4Å; I171-Y175 PolarHBondContact O-N 3.39Å; I171-Y175 VanDerWaalsContact O-N 3.08Å; I171-P182 HydrophobicContact CG2-CB 3.83Å; I171-P182 HydrophobicContact CG2-CG 3.83Å; I171-V184 HydrophobicContact CD1-CG2 3.52Å; I171-Q274 VanDerWaalsContact CG2-OE1 3.25Å
172	A	94	Very high	94.9	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-40.6	-178.2	0	0	0	0	0	112.4	F168 A169 N174 Y175 P251 V252 A253	F168-A172 PolarHBondContact O-N 3.05Å; A169-A172 PolarHBondContact O-N 2.9Å; A169-A172 VanDerWaalsContact O-N 3.13Å; A172-N174 VanDerWaalsContact C-N 3.27Å; A172-N174 PolarHBondContact O-N 3.13Å; A172-Y175 PolarHBondContact O-N 3.36Å; A172-P251 HydrophobicContact CB-CB 4.27Å; A172-V252 VanDerWaalsContact CB-C 3.49Å; A172-A253 HydrophobicContact CB-CB 3.98Å; A172-A253 VanDerWaalsContact CB-N 3.32Å
173	Y	86.2	Confident	95.1	Very high	64 Å²	64	57 Å²	57	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-32.7	179.3	-68.3	-41.8	0	0	0	113.5	N140 I142 A169 A253	N140-Y173 HydrophobicContact CB-CD1 3.86Å; N140-Y173 HydrophobicContact CB-CE1 4.28Å; N140-Y173 PolarHBondContact ND2-O 2.95Å; N140-Y173 WeakPolarHBondContact OD1-CA 3.36Å; I142-Y173 HydrophobicContact CG1-CE1 3.83Å; A169-Y173 HydrophobicContact CB-CD2 4.28Å; A169-Y173 HydrophobicContact CB-CE2 3.81Å; A169-Y173 WeakPolarHBondContact O-CD2 3.48Å; A169-Y173 VanDerWaalsContact O-CG 3.28Å; A169-Y173 PolarHBondContact O-N 3.11Å; Y173-A253 HydrophobicContact CD1-CB 4.36Å; Y173-A253 HydrophobicContact CE1-CB 3.83Å; Y173-A253 HydrophobicContact CE2-CB 4.35Å
174	N	93.1	Very high	95.2	Very high	118 Å²	118	55.1 Å²	55.1	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-92.3	-11.6	-179	-70.7	-67.4	0	0	0	113.7	D170 I171 A172	D170-N174 WeakPolarHBondContact O-CB 3.42Å; D170-N174 PolarHBondContact O-N 3.1Å; D170-N174 PolarHBondContact O-ND2 3.17Å; I171-N174 PolarHBondContact O-N 3.4Å; A172-N174 VanDerWaalsContact C-N 3.27Å; A172-N174 PolarHBondContact O-N 3.13Å
175	Y	97.1	Very high	95.3	Very high	14 Å²	14	61.5 Å²	61.5	6%	0.055	32%	0.315	C	S	.	.			trans	-68.6	134.6	177.8	177.4	-95.4	0	0	0	111.9	I171 A172 Q179 I181 R250 P251	I171-Y175 PolarHBondContact O-N 3.39Å; I171-Y175 VanDerWaalsContact O-N 3.08Å; A172-Y175 PolarHBondContact O-N 3.36Å; Y175-Q179 HydrophobicContact CD2-CB 4.3Å; Y175-Q179 HydrophobicContact CE2-CB 4.04Å; Y175-Q179 WeakPolarHBondContact CE2-O 3.49Å; Y175-Q179 PolarHBondContact OH-O 2.86Å; Y175-I181 HydrophobicContact CE2-CG1 3.95Å; Y175-R250 HydrophobicContact CD1-CG 4.03Å; Y175-R250 HydrophobicContact CE1-CB 4.5Å; Y175-R250 HydrophobicContact CE1-CG 3.82Å; Y175-R250 PolarHBondContact O-NH2 2.85Å; Y175-P251 HydrophobicContact CD1-CG 3.77Å; Y175-P251 HydrophobicContact CD2-CG 3.83Å; Y175-P251 HydrophobicContact CE1-CG 4.37Å; Y175-P251 HydrophobicContact CE2-CG 4.41Å; Y175-P251 HydrophobicContact CG-CG 3.45Å; Y175-P251 VanDerWaalsContact CG-CG 3.45Å
176	K	94.5	Very high	95.5	Very high	84 Å²	84	62 Å²	62	37%	0.365	32%	0.317	S	S	.	.			trans	-123.9	151	173	-61.8	-62.9	177	-167.4	0	111.8	D136 G178 Q179	D136-K176 HydrophobicContact CB-CD 4.06Å; D136-K176 WeakPolarHBondContact OD1-CA 3.39Å; K176-G178 PolarHBondContact O-N 3.16Å; K176-Q179 WeakPolarHBondContact O-CB 3.39Å; K176-Q179 WeakPolarHBondContact O-CG 3.2Å; K176-Q179 PolarHBondContact O-N 3.08Å
177	H	95.4	Very high	95.8	Very high	39 Å²	39	59.5 Å²	59.5	18%	0.181	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.3	178.5	-179.7	89	0	0	0	111.1	I132 Q133 D136 R248	I132-H177 VanDerWaalsContact CG2-CE1 3.43Å; I132-H177 WeakPolarHBondContact CG2-CE1 2.82Å; Q133-H177 HydrophobicContact CG-CB 4.34Å; D136-H177 PolarHBondContact OD1-N 2.86Å; D136-H177 PolarHBondContact OD2-N 3.36Å; H177-R248 PolarHBondContact CE1-NH1 3.39Å; H177-R248 VanDerWaalsContact CE1-NH1 3.32Å
178	G	94.3	Very high	95.9	Very high	67 Å²	67	61.4 Å²	61.4	69%	0.691	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	-12.5	179.9	0	0	0	0	0	114.3	K176	K176-G178 PolarHBondContact O-N 3.16Å
179	Q	98.1	Very high	96	Very high	98 Å²	98	67.2 Å²	67.2	46%	0.458	35%	0.348	S	S	.	.	S	Bend	trans	-75.9	152.1	169.6	-63.7	175.1	-17.4	0	0	110.7	Y175 K176	Y175-Q179 HydrophobicContact CD2-CB 4.3Å; Y175-Q179 HydrophobicContact CE2-CB 4.04Å; Y175-Q179 WeakPolarHBondContact CE2-O 3.49Å; Y175-Q179 PolarHBondContact OH-O 2.86Å; K176-Q179 WeakPolarHBondContact O-CB 3.39Å; K176-Q179 WeakPolarHBondContact O-CG 3.2Å; K176-Q179 PolarHBondContact O-N 3.08Å
180	A	98.4	Very high	96.3	Very high	59 Å²	59	68 Å²	68	49%	0.488	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-67.6	139.1	163.9	0	0	0	0	0	109	P182	A180-P182 WeakPolarHBondContact O-CD 3.24Å
181	I	98.7	Very high	96.6	Very high	4 Å²	4	67 Å²	67	2%	0.021	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.9	125.7	178.8	-55.1	172.6	0	0	0	108.4	Y175 R183 L234 E235 L249 P251	Y175-I181 HydrophobicContact CE2-CG1 3.95Å; I181-R183 PolarHBondContact O-N 2.92Å; I181-L234 HydrophobicContact CD1-CB 3.87Å; I181-L234 HydrophobicContact CG2-CB 3.95Å; I181-E235 HydrophobicContact CB-CB 4.1Å; I181-E235 PolarHBondContact N-OE2 2.79Å; I181-L249 HydrophobicContact CD1-CB 4.03Å; I181-L249 WeakPolarHBondContact CD1-O 3.46Å; I181-P251 HydrophobicContact CG2-CB 4.29Å; I181-P251 HydrophobicContact CG2-CG 4.02Å
182	P	98.6	Very high	96.7	Very high	52 Å²	52	69.1 Å²	69.1	34%	0.338	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-57.4	128	-179.7	-29.2	38.9	0	0	0	111.5	I171 A180 Q274	I171-P182 HydrophobicContact CG2-CB 3.83Å; I171-P182 HydrophobicContact CG2-CG 3.83Å; A180-P182 WeakPolarHBondContact O-CD 3.24Å; P182-Q274 PolarHBondContact O-NE2 2.76Å; P182-Q274 VanDerWaalsContact O-NE2 3.13Å
183	R	98.5	Very high	96.9	Very high	161 Å²	161	69.2 Å²	69.2	61%	0.608	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-75.2	140.8	175.4	-72.2	179.1	155.9	-133.5	-3.1	109.7	I181 Q233 D236	I181-R183 PolarHBondContact O-N 2.92Å; R183-Q233 HydrophobicContact CG-CB 4.35Å; R183-Q233 HydrophobicContact CG-CG 4.21Å; R183-D236 IonicContact CZ-OD1 3.63Å; R183-D236 IonicContact CZ-OD2 3.87Å; R183-D236 IonicContact NH2-OD1 3.76Å; R183-D236 PolarHBondContact NH2-OD1 2.87Å; R183-D236 IonicContact NH2-OD2 2.69Å; R183-D236 PolarHBondContact NH2-OD2 3.11Å
184	V	97.4	Very high	97.4	Very high	13 Å²	13	66.1 Å²	66.1	8%	0.079	35%	0.347	C	S	.	.			trans	-116.2	129.2	178.1	-175.9	0	0	0	0	110	F168 I171 Y186 Q233	F168-V184 HydrophobicContact CD1-CG2 4.19Å; F168-V184 HydrophobicContact CE1-CB 4.03Å; F168-V184 HydrophobicContact CE1-CG1 3.59Å; F168-V184 HydrophobicContact CE1-CG2 3.86Å; F168-V184 HydrophobicContact CZ-CG1 3.99Å; I171-V184 HydrophobicContact CD1-CG2 3.52Å; V184-Y186 HydrophobicContact CB-CE2 4.34Å; V184-Y186 WeakPolarHBondContact O-CD2 3.46Å; V184-Y186 PolarHBondContact O-N 2.85Å; V184-Q233 PolarHBondContact O-NE2 3.05Å
185	E	98	Very high	97.7	Very high	178 Å²	178	60.5 Å²	60.5	83%	0.832	32%	0.317	S	S	*	.			trans	-76.9	102.8	167.1	-172.1	172.8	179.9	0	0	108.7	R164	R164-E185 PolarHBondContact NH2-O 2.66Å
186	Y	98.6	Very high	97.7	Very high	14 Å²	14	62.8 Å²	62.8	6%	0.055	33%	0.329	C	S	.	.			trans	-75.3	136.9	175	-67.3	-82.5	0	0	0	110.6	F168 V184 E190 I231 Q274	F168-Y186 AromaticContact CE1-CE1 3.9Å; F168-Y186 HydrophobicContact CE1-CE1 3.9Å; F168-Y186 HydrophobicContact CZ-CD1 4.17Å; F168-Y186 AromaticContact CZ-CE1 3.7Å; F168-Y186 HydrophobicContact CZ-CE1 3.7Å; V184-Y186 HydrophobicContact CB-CE2 4.34Å; V184-Y186 WeakPolarHBondContact O-CD2 3.46Å; V184-Y186 PolarHBondContact O-N 2.85Å; Y186-E190 VanDerWaalsContact CA-OE2 3.24Å; Y186-E190 WeakPolarHBondContact CA-OE2 3.34Å; Y186-E190 HydrophobicContact CD1-CB 4.33Å; Y186-I231 HydrophobicContact CD1-CD1 3.66Å; Y186-I231 HydrophobicContact CD2-CB 3.72Å; Y186-I231 HydrophobicContact CD2-CD1 4.18Å; Y186-I231 HydrophobicContact CD2-CG2 3.9Å; Y186-I231 HydrophobicContact CE1-CD1 4.19Å; Y186-I231 HydrophobicContact CE1-CG2 4.25Å; Y186-I231 HydrophobicContact CE2-CB 3.91Å; Y186-I231 HydrophobicContact CE2-CG2 3.54Å; Y186-I231 HydrophobicContact CG-CB 4.11Å; Y186-I231 HydrophobicContact CG-CD1 3.65Å; Y186-I231 HydrophobicContact CG-CG1 4.42Å; Y186-I231 HydrophobicContact CG-CG2 4.4Å; Y186-Q274 WeakPolarHBondContact CE1-O 3.37Å; Y186-Q274 PolarHBondContact OH-O 3.2Å
187	T	98.4	Very high	97.7	Very high	66 Å²	66	59.3 Å²	59.3	41%	0.405	32%	0.315	S	S	.	.			trans	-67.3	164.2	178.1	70.1	0	0	0	0	111.5	E189 E190 K191	T187-E189 VanDerWaalsContact C-N 3.28Å; T187-E189 PolarHBondContact O-N 3.09Å; T187-E190 PolarHBondContact N-OE2 2.75Å; T187-E190 PolarHBondContact O-N 2.69Å; T187-E190 VanDerWaalsContact OG1-CG 3.24Å; T187-E190 WeakPolarHBondContact OG1-CG 3.45Å; T187-E190 PolarHBondContact OG1-N 2.77Å; T187-E190 PolarHBondContact OG1-OE2 2.71Å; T187-K191 WeakPolarHBondContact O-CG 3.43Å; T187-K191 PolarHBondContact O-N 3.43Å
188	E	98.2	Very high	97.9	Very high	136 Å²	136	57.5 Å²	57.5	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-60.1	-37.4	174.8	-62.1	-53	137.9	0	0	112.5	K191 V192	E188-K191 VanDerWaalsContact CD-CE 3.44Å; E188-K191 PolarHBondContact O-N 2.72Å; E188-K191 VanDerWaalsContact OE1-CE 3.29Å; E188-K191 WeakPolarHBondContact OE1-CE 3.12Å; E188-K191 IonicContact OE1-NZ 2.76Å; E188-K191 PolarHBondContact OE1-NZ 3.33Å; E188-K191 VanDerWaalsContact OE2-CE 3.23Å; E188-K191 WeakPolarHBondContact OE2-CE 3.34Å; E188-K191 IonicContact OE2-NZ 2.72Å; E188-K191 PolarHBondContact OE2-NZ 3.09Å; E188-V192 VanDerWaalsContact O-CG2 3.28Å; E188-V192 WeakPolarHBondContact O-CG2 3.25Å; E188-V192 PolarHBondContact O-N 3.23Å
189	E	97.8	Very high	98	Very high	130 Å²	130	60.7 Å²	60.7	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-65.9	-41.7	177.9	-176.2	176.5	-172.8	0	0	112.1	T187 V192 T193	T187-E189 VanDerWaalsContact C-N 3.28Å; T187-E189 PolarHBondContact O-N 3.09Å; E189-V192 PolarHBondContact O-N 3.46Å; E189-T193 PolarHBondContact O-N 2.88Å; E189-T193 PolarHBondContact O-OG1 3.13Å
190	E	98.5	Very high	97.9	Very high	17 Å²	17	60.9 Å²	60.9	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-47	174	-69.2	172.5	147.4	0	0	109.9	R164 Y186 T187 V192 T193 W194 I231 I276	R164-E190 WeakPolarHBondContact CG-OE1 3.11Å; R164-E190 IonicContact CZ-OE1 2.75Å; R164-E190 IonicContact CZ-OE2 3.59Å; R164-E190 IonicContact NE-OE1 2.71Å; R164-E190 PolarHBondContact NE-OE1 3.32Å; R164-E190 IonicContact NE-OE2 2.84Å; R164-E190 IonicContact NH2-OE1 3.15Å; R164-E190 IonicContact NH2-OE2 2.71Å; R164-E190 PolarHBondContact NH2-OE2 2.67Å; Y186-E190 VanDerWaalsContact CA-OE2 3.24Å; Y186-E190 WeakPolarHBondContact CA-OE2 3.34Å; Y186-E190 HydrophobicContact CD1-CB 4.33Å; T187-E190 PolarHBondContact N-OE2 2.75Å; T187-E190 PolarHBondContact O-N 2.69Å; T187-E190 VanDerWaalsContact OG1-CG 3.24Å; T187-E190 WeakPolarHBondContact OG1-CG 3.45Å; T187-E190 PolarHBondContact OG1-N 2.77Å; T187-E190 PolarHBondContact OG1-OE2 2.71Å; E190-V192 PolarHBondContact O-N 3.27Å; E190-T193 WeakPolarHBondContact O-CB 3.48Å; E190-T193 PolarHBondContact O-N 3.39Å; E190-W194 PolarHBondContact O-N 3.04Å; E190-I231 HydrophobicContact CB-CD1 4.21Å; E190-I276 HydrophobicContact CB-CG2 3.76Å; E190-I276 HydrophobicContact CG-CG2 3.54Å; E190-I276 VanDerWaalsContact O-CD1 3.3Å; E190-I276 WeakPolarHBondContact O-CD1 3.36Å
191	K	98.6	Very high	97.8	Very high	48 Å²	48	58.1 Å²	58.1	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-37	177.6	-70.8	-176.3	-66.6	172.9	0	113.2	T187 E188 W194 G195 I231	T187-K191 WeakPolarHBondContact O-CG 3.43Å; T187-K191 PolarHBondContact O-N 3.43Å; E188-K191 VanDerWaalsContact CD-CE 3.44Å; E188-K191 PolarHBondContact O-N 2.72Å; E188-K191 VanDerWaalsContact OE1-CE 3.29Å; E188-K191 WeakPolarHBondContact OE1-CE 3.12Å; E188-K191 IonicContact OE1-NZ 2.76Å; E188-K191 PolarHBondContact OE1-NZ 3.33Å; E188-K191 VanDerWaalsContact OE2-CE 3.23Å; E188-K191 WeakPolarHBondContact OE2-CE 3.34Å; E188-K191 IonicContact OE2-NZ 2.72Å; E188-K191 PolarHBondContact OE2-NZ 3.09Å; K191-W194 PolarHBondContact O-N 3.42Å; K191-G195 PolarHBondContact O-N 2.82Å; K191-I231 HydrophobicContact CG-CD1 4.4Å; K191-I231 HydrophobicContact CG-CG1 4.43Å
192	V	98.3	Very high	97.7	Very high	85 Å²	85	61.8 Å²	61.8	52%	0.515	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-45.6	174	167.1	0	0	0	0	110.8	E188 E189 E190 G195 I196	E188-V192 VanDerWaalsContact O-CG2 3.28Å; E188-V192 WeakPolarHBondContact O-CG2 3.25Å; E188-V192 PolarHBondContact O-N 3.23Å; E189-V192 PolarHBondContact O-N 3.46Å; E190-V192 PolarHBondContact O-N 3.27Å; V192-G195 PolarHBondContact O-N 3.28Å; V192-I196 HydrophobicContact CG1-CD1 4.18Å; V192-I196 WeakPolarHBondContact O-CG1 3.38Å; V192-I196 PolarHBondContact O-N 2.93Å
193	T	97.4	Very high	97.7	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-48.9	177.3	-60.5	0	0	0	0	111.2	E189 E190 G195 I196 V197 I276 R277 G279 P282	E189-T193 PolarHBondContact O-N 2.88Å; E189-T193 PolarHBondContact O-OG1 3.13Å; E190-T193 WeakPolarHBondContact O-CB 3.48Å; E190-T193 PolarHBondContact O-N 3.39Å; T193-G195 PolarHBondContact O-N 2.96Å; T193-I196 PolarHBondContact O-N 2.89Å; T193-V197 PolarHBondContact O-N 3.25Å; T193-I276 HydrophobicContact CG2-CD1 4.06Å; T193-I276 HydrophobicContact CG2-CG1 4.24Å; T193-R277 HydrophobicContact CG2-CG 3.81Å; T193-G279 WeakPolarHBondContact OG1-CA 3.43Å; T193-P282 HydrophobicContact CG2-CB 4.06Å
194	W	98.3	Very high	97.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-48.6	173.3	166.4	-95.5	0	0	0	112	E190 K191 I196 V197 F198 K227 N230 I231 P232 I276 C291 L294 L295	E190-W194 PolarHBondContact O-N 3.04Å; K191-W194 PolarHBondContact O-N 3.42Å; W194-I196 VanDerWaalsContact C-N 3.27Å; W194-I196 PolarHBondContact O-N 3.14Å; W194-V197 PolarHBondContact O-N 3.46Å; W194-V197 VanDerWaalsContact O-N 3.13Å; W194-F198 AromaticContact CE2-CD2 3.86Å; W194-F198 HydrophobicContact CH2-CD2 4.48Å; W194-F198 AromaticContact CZ2-CD2 3.6Å; W194-F198 HydrophobicContact CZ2-CD2 3.6Å; W194-F198 HydrophobicContact CZ2-CE2 4.16Å; W194-F198 AromaticContact NE1-CD2 3.95Å; W194-F198 VanDerWaalsContact O-CB 3.28Å; W194-F198 WeakPolarHBondContact O-CB 3.41Å; W194-F198 PolarHBondContact O-N 3.32Å; W194-K227 PolarHBondContact NE1-O 3.09Å; W194-N230 PolarHBondContact NE1-O 3.1Å; W194-N230 VanDerWaalsContact NE1-O 3.08Å; W194-I231 HydrophobicContact CB-CD1 3.88Å; W194-I231 HydrophobicContact CB-CG1 3.51Å; W194-I231 HydrophobicContact CD2-CG1 3.9Å; W194-I231 HydrophobicContact CE3-CG1 4.3Å; W194-I231 HydrophobicContact CE3-CG2 4.49Å; W194-I231 HydrophobicContact CG-CD1 4.42Å; W194-I231 HydrophobicContact CG-CG1 3.53Å; W194-P232 HydrophobicContact CH2-CG 4.22Å; W194-P232 VanDerWaalsContact CZ2-CD 3.44Å; W194-P232 HydrophobicContact CZ2-CG 4.05Å; W194-I276 HydrophobicContact CB-CD1 3.75Å; W194-C291 HydrophobicContact CE3-CB 4.48Å; W194-L294 HydrophobicContact CH2-CB 3.92Å; W194-L294 HydrophobicContact CH2-CD1 4.04Å; W194-L294 HydrophobicContact CZ3-CB 4.1Å; W194-L294 HydrophobicContact CZ3-CD1 4.11Å; W194-L295 HydrophobicContact CH2-CD1 4.23Å; W194-L295 HydrophobicContact CH2-CD2 3.62Å; W194-L295 HydrophobicContact CH2-CG 3.79Å; W194-L295 HydrophobicContact CZ2-CD2 4.06Å; W194-L295 HydrophobicContact CZ3-CD1 4.18Å; W194-L295 HydrophobicContact CZ3-CD2 4.34Å; W194-L295 HydrophobicContact CZ3-CG 4.02Å
195	G	98.1	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-34.5	-177.6	0	0	0	0	0	113.9	K191 V192 T193 R199 P228	K191-G195 PolarHBondContact O-N 2.82Å; V192-G195 PolarHBondContact O-N 3.28Å; T193-G195 PolarHBondContact O-N 2.96Å; G195-R199 VanDerWaalsContact C-CZ 3.5Å; G195-R199 WeakPolarHBondContact O-CB 3.33Å; G195-R199 VanDerWaalsContact O-CG 3.31Å; G195-R199 WeakPolarHBondContact O-CG 3.43Å; G195-R199 PolarHBondContact O-N 3.28Å; G195-R199 VanDerWaalsContact O-N 3.17Å; G195-R199 PolarHBondContact O-NE 2.8Å; G195-R199 PolarHBondContact O-NH2 3.4Å; G195-P228 WeakPolarHBondContact CA-O 3.39Å
196	I	96.6	Very high	97.7	Very high	61 Å²	61	51.6 Å²	51.6	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-53.9	173.1	-67.2	164.3	0	0	0	109.8	V192 T193 W194 F198 R199 E200 P282	V192-I196 HydrophobicContact CG1-CD1 4.18Å; V192-I196 WeakPolarHBondContact O-CG1 3.38Å; V192-I196 PolarHBondContact O-N 2.93Å; T193-I196 PolarHBondContact O-N 2.89Å; W194-I196 VanDerWaalsContact C-N 3.27Å; W194-I196 PolarHBondContact O-N 3.14Å; I196-F198 PolarHBondContact O-N 3.34Å; I196-R199 PolarHBondContact O-N 2.88Å; I196-E200 WeakPolarHBondContact O-CG 3.49Å; I196-E200 PolarHBondContact O-N 3.27Å; I196-P282 HydrophobicContact CD1-CB 4.48Å; I196-P282 HydrophobicContact CD1-CG 4.42Å; I196-P282 HydrophobicContact CG2-CB 4.29Å; I196-P282 HydrophobicContact CG2-CG 4.39Å
197	V	96.4	Very high	97.6	Very high	11 Å²	11	55 Å²	55	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-46.3	-178.2	177.5	0	0	0	0	111.3	T193 W194 R199 E200 L201 P282 C291 L295	T193-V197 PolarHBondContact O-N 3.25Å; W194-V197 PolarHBondContact O-N 3.46Å; W194-V197 VanDerWaalsContact O-N 3.13Å; V197-R199 PolarHBondContact O-N 3.33Å; V197-E200 PolarHBondContact O-N 3.11Å; V197-L201 HydrophobicContact CG1-CD1 3.56Å; V197-L201 HydrophobicContact CG1-CG 4.4Å; V197-L201 WeakPolarHBondContact O-CB 3.2Å; V197-L201 WeakPolarHBondContact O-CG 3.1Å; V197-L201 PolarHBondContact O-N 3Å; V197-L201 VanDerWaalsContact O-N 3.08Å; V197-P282 WeakPolarHBondContact CG2-O 3.39Å; V197-C291 HydrophobicContact CG1-CB 4.08Å; V197-L295 HydrophobicContact CG1-CD1 3.97Å
198	F	97.9	Very high	97.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-49.7	-179.7	-174.3	-84	0	0	0	112.1	W194 I196 K202 F217 Y226 P228 L295	W194-F198 AromaticContact CE2-CD2 3.86Å; W194-F198 HydrophobicContact CH2-CD2 4.48Å; W194-F198 AromaticContact CZ2-CD2 3.6Å; W194-F198 HydrophobicContact CZ2-CD2 3.6Å; W194-F198 HydrophobicContact CZ2-CE2 4.16Å; W194-F198 AromaticContact NE1-CD2 3.95Å; W194-F198 VanDerWaalsContact O-CB 3.28Å; W194-F198 WeakPolarHBondContact O-CB 3.41Å; W194-F198 PolarHBondContact O-N 3.32Å; I196-F198 PolarHBondContact O-N 3.34Å; F198-K202 HydrophobicContact CD1-CD 4.46Å; F198-K202 HydrophobicContact CE1-CB 4.46Å; F198-K202 HydrophobicContact CE1-CD 3.66Å; F198-K202 HydrophobicContact CZ-CD 4.16Å; F198-K202 WeakPolarHBondContact O-CB 3.41Å; F198-K202 PolarHBondContact O-N 2.96Å; F198-F217 HydrophobicContact CD2-CZ 4.47Å; F198-F217 HydrophobicContact CE2-CE1 4.22Å; F198-F217 AromaticContact CE2-CZ 3.66Å; F198-F217 HydrophobicContact CE2-CZ 3.66Å; F198-F217 AromaticContact CZ-CE1 3.9Å; F198-F217 HydrophobicContact CZ-CE1 3.9Å; F198-F217 AromaticContact CZ-CZ 3.8Å; F198-F217 HydrophobicContact CZ-CZ 3.8Å; F198-Y226 HydrophobicContact CE2-CD1 4.25Å; F198-P228 HydrophobicContact CD1-CB 3.98Å; F198-L295 HydrophobicContact CD2-CD2 3.83Å; F198-L295 HydrophobicContact CE2-CD2 4.19Å
199	R	97.5	Very high	97.6	Very high	133 Å²	133	47 Å²	47	50%	0.502	25%	0.247	S	C	.	.	H	α-helix	trans	-64.2	-45.1	-177.1	-76.1	-175.8	-67.6	-95.2	-1.6	112.1	G195 I196 V197 A203 P228	G195-R199 VanDerWaalsContact C-CZ 3.5Å; G195-R199 WeakPolarHBondContact O-CB 3.33Å; G195-R199 VanDerWaalsContact O-CG 3.31Å; G195-R199 WeakPolarHBondContact O-CG 3.43Å; G195-R199 PolarHBondContact O-N 3.28Å; G195-R199 VanDerWaalsContact O-N 3.17Å; G195-R199 PolarHBondContact O-NE 2.8Å; G195-R199 PolarHBondContact O-NH2 3.4Å; I196-R199 PolarHBondContact O-N 2.88Å; V197-R199 PolarHBondContact O-N 3.33Å; R199-A203 PolarHBondContact O-N 3.34Å; R199-P228 HydrophobicContact CG-CB 3.99Å
200	E	95.1	Very high	97.7	Very high	102 Å²	102	40.8 Å²	40.8	48%	0.477	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-47.4	-179.4	-71	-64.3	147.6	0	0	111.6	I196 V197	I196-E200 WeakPolarHBondContact O-CG 3.49Å; I196-E200 PolarHBondContact O-N 3.27Å; V197-E200 PolarHBondContact O-N 3.11Å
201	L	96.3	Very high	97.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-70.2	-42.7	-179.2	-69.2	170.4	0	0	0	112.3	V197 A203 L204 Y205 L295 F358 L361	V197-L201 HydrophobicContact CG1-CD1 3.56Å; V197-L201 HydrophobicContact CG1-CG 4.4Å; V197-L201 WeakPolarHBondContact O-CB 3.2Å; V197-L201 WeakPolarHBondContact O-CG 3.1Å; V197-L201 PolarHBondContact O-N 3Å; V197-L201 VanDerWaalsContact O-N 3.08Å; L201-A203 PolarHBondContact O-N 3Å; L201-L204 WeakPolarHBondContact O-CA 3.47Å; L201-L204 WeakPolarHBondContact O-CB 3.41Å; L201-L204 PolarHBondContact O-N 3.18Å; L201-Y205 HydrophobicContact CB-CE1 3.93Å; L201-Y205 HydrophobicContact CB-CE2 4.07Å; L201-Y205 WeakPolarHBondContact CB-OH 3.44Å; L201-Y205 WeakPolarHBondContact O-CD1 3.33Å; L201-Y205 PolarHBondContact O-N 3.48Å; L201-Y205 VanDerWaalsContact O-N 3.08Å; L201-L295 HydrophobicContact CD1-CD1 3.88Å; L201-F358 HydrophobicContact CD2-CB 4.13Å; L201-L361 HydrophobicContact CD2-CD2 4.21Å
202	K	97.4	Very high	97.7	Very high	80 Å²	80	45.4 Å²	45.4	35%	0.348	23%	0.234	S	C	.	.	H	α-helix	trans	-57.9	-35.2	178.1	-174.9	177.1	-178.8	-178.8	0	112.4	F198 L204 Y205 P206 F217 E221	F198-K202 HydrophobicContact CD1-CD 4.46Å; F198-K202 HydrophobicContact CE1-CB 4.46Å; F198-K202 HydrophobicContact CE1-CD 3.66Å; F198-K202 HydrophobicContact CZ-CD 4.16Å; F198-K202 WeakPolarHBondContact O-CB 3.41Å; F198-K202 PolarHBondContact O-N 2.96Å; K202-L204 PolarHBondContact O-N 3.01Å; K202-Y205 HydrophobicContact CB-CD2 4.41Å; K202-P206 WeakPolarHBondContact O-CD 3.29Å; K202-F217 HydrophobicContact CD-CE1 4.06Å; K202-F217 HydrophobicContact CG-CE1 4.2Å; K202-E221 WeakPolarHBondContact CE-OE2 3.39Å; K202-E221 IonicContact NZ-OE1 3Å; K202-E221 PolarHBondContact NZ-OE1 3.43Å; K202-E221 IonicContact NZ-OE2 3.62Å; K202-E221 PolarHBondContact NZ-OE2 3.06Å
203	A	97.5	Very high	97.7	Very high	76 Å²	76	41.4 Å²	41.4	63%	0.628	21%	0.21	S	C	*	.	H	α-helix	trans	-65.1	-25.2	175.5	0	0	0	0	0	113.3	R199 L201	R199-A203 PolarHBondContact O-N 3.34Å; L201-A203 PolarHBondContact O-N 3Å
204	L	97.6	Very high	97.7	Very high	22 Å²	22	43.5 Å²	43.5	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-94.4	-26.4	-177.7	-61.7	171.9	0	0	0	113.5	L201 K202 T207 H208 F358 L361 K362	L201-L204 WeakPolarHBondContact O-CA 3.47Å; L201-L204 WeakPolarHBondContact O-CB 3.41Å; L201-L204 PolarHBondContact O-N 3.18Å; K202-L204 PolarHBondContact O-N 3.01Å; L204-T207 PolarHBondContact O-N 3.38Å; L204-T207 PolarHBondContact O-OG1 3.07Å; L204-T207 VanDerWaalsContact O-OG1 3.05Å; L204-H208 WeakPolarHBondContact O-CB 3.07Å; L204-H208 PolarHBondContact O-N 3.41Å; L204-H208 PolarHBondContact O-ND1 2.86Å; L204-F358 HydrophobicContact CD1-CB 4.15Å; L204-L361 HydrophobicContact CB-CD2 3.71Å; L204-L361 HydrophobicContact CD1-CD2 4.02Å; L204-K362 HydrophobicContact CD1-CG 4.27Å; L204-K362 HydrophobicContact CD2-CG 4.45Å
205	Y	98.5	Very high	97.8	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-55.1	-43.4	-175	-62.9	-33	0	0	0	115.3	L201 K202 T207 H208 A209 H213 N214 F217 L355 L361	L201-Y205 HydrophobicContact CB-CE1 3.93Å; L201-Y205 HydrophobicContact CB-CE2 4.07Å; L201-Y205 WeakPolarHBondContact CB-OH 3.44Å; L201-Y205 WeakPolarHBondContact O-CD1 3.33Å; L201-Y205 PolarHBondContact O-N 3.48Å; L201-Y205 VanDerWaalsContact O-N 3.08Å; K202-Y205 HydrophobicContact CB-CD2 4.41Å; Y205-T207 PolarHBondContact O-N 3.43Å; Y205-T207 VanDerWaalsContact O-N 3.1Å; Y205-H208 PolarHBondContact O-N 3.01Å; Y205-A209 HydrophobicContact CD1-CB 4.08Å; Y205-A209 HydrophobicContact CG-CB 4.42Å; Y205-A209 WeakPolarHBondContact O-CB 3.44Å; Y205-A209 PolarHBondContact O-N 3.22Å; Y205-H213 AromaticContact CD1-NE2 3.67Å; Y205-H213 AromaticContact CD2-NE2 3.3Å; Y205-H213 VanDerWaalsContact CD2-NE2 3.3Å; Y205-H213 WeakPolarHBondContact CD2-NE2 3.39Å; Y205-H213 AromaticContact CE1-NE2 3.79Å; Y205-H213 AromaticContact CE2-NE2 3.46Å; Y205-H213 WeakPolarHBondContact CE2-NE2 3.37Å; Y205-H213 AromaticContact CG-CD2 3.97Å; Y205-H213 AromaticContact CG-NE2 3.42Å; Y205-H213 AromaticContact CZ-CE1 3.87Å; Y205-H213 AromaticContact CZ-NE2 3.67Å; Y205-N214 PolarHBondContact O-ND2 3.2Å; Y205-N214 PolarHBondContact O-OD1 2.85Å; Y205-F217 HydrophobicContact CD2-CD2 4.3Å; Y205-F217 HydrophobicContact CD2-CE2 4.12Å; Y205-F217 HydrophobicContact CD2-CZ 4.33Å; Y205-F217 HydrophobicContact CE2-CD2 4.14Å; Y205-F217 AromaticContact CE2-CE2 3.61Å; Y205-F217 HydrophobicContact CE2-CE2 3.61Å; Y205-F217 AromaticContact CE2-CZ 3.94Å; Y205-F217 HydrophobicContact CE2-CZ 3.94Å; Y205-L355 HydrophobicContact CD1-CD2 4.17Å; Y205-L355 HydrophobicContact CE1-CB 4.41Å; Y205-L355 HydrophobicContact CE1-CD2 4.06Å; Y205-L355 WeakPolarHBondContact CE1-O 3.34Å; Y205-L355 PolarHBondContact OH-O 3.17Å; Y205-L361 HydrophobicContact CD1-CD2 4.36Å; Y205-L361 HydrophobicContact CE1-CD2 4.39Å
206	P	98.1	Very high	97.8	Very high	89 Å²	89	49.5 Å²	49.5	58%	0.578	24%	0.244	S	C	*	.	H	α-helix	trans	-58.6	-30.5	-179.1	-26.7	36	0	0	0	113.7	K202	K202-P206 WeakPolarHBondContact O-CD 3.29Å
207	T	97.1	Very high	97.9	Very high	85 Å²	85	47 Å²	47	52%	0.521	23%	0.231	S	C	.	.	H	α-helix	trans	-98.9	-29.6	-176.6	49.9	0	0	0	0	113.2	L204 Y205 K348	L204-T207 PolarHBondContact O-N 3.38Å; L204-T207 PolarHBondContact O-OG1 3.07Å; L204-T207 VanDerWaalsContact O-OG1 3.05Å; Y205-T207 PolarHBondContact O-N 3.43Å; Y205-T207 VanDerWaalsContact O-N 3.1Å; T207-K348 PolarHBondContact O-NZ 3.4Å
208	H	98.3	Very high	98	Very high	34 Å²	34	49.7 Å²	49.7	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-106.7	-42.7	-172.9	-60.8	68.9	0	0	0	113.5	L204 Y205 V349 L361 L365	L204-H208 WeakPolarHBondContact O-CB 3.07Å; L204-H208 PolarHBondContact O-N 3.41Å; L204-H208 PolarHBondContact O-ND1 2.86Å; Y205-H208 PolarHBondContact O-N 3.01Å; H208-V349 PolarHBondContact O-N 3.3Å; H208-L361 HydrophobicContact CB-CD1 3.71Å; H208-L361 HydrophobicContact CB-CD2 4.29Å; H208-L361 HydrophobicContact CB-CG 3.88Å; H208-L361 PolarHBondContact CD2-O 3.1Å; H208-L365 HydrophobicContact CB-CD1 4.23Å
209	A	98.6	Very high	98	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-72.8	152.9	-173.8	0	0	0	0	0	111.8	Y205 H213 N214 V349 L355	Y205-A209 HydrophobicContact CD1-CB 4.08Å; Y205-A209 HydrophobicContact CG-CB 4.42Å; Y205-A209 WeakPolarHBondContact O-CB 3.44Å; Y205-A209 PolarHBondContact O-N 3.22Å; A209-H213 HydrophobicContact CB-CB 4.07Å; A209-N214 PolarHBondContact O-ND2 3.07Å; A209-V349 CarbonylContact C-O 3.52Å; A209-V349 WeakPolarHBondContact CA-O 3.49Å; A209-L355 HydrophobicContact CB-CD2 3.57Å
210	C	98.7	Very high	98.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.			trans	-63.6	155.7	174.2	69.5	0	0	0	0	111.6	E212 H213 N214 C341 K348 V349	C210-E212 PolarHBondContact O-N 3.34Å; C210-H213 PolarHBondContact O-N 3.16Å; C210-N214 PolarHBondContact O-N 3.46Å; C210-N214 VanDerWaalsContact O-N 3.16Å; C210-N214 PolarHBondContact O-ND2 3.32Å; C210-C341 VanDerWaalsContact CB-SG 3.51Å; C210-K348 HydrophobicContact CB-CB 4.11Å; C210-V349 PolarHBondContact N-O 3.48Å
211	R	98.6	Very high	98.2	Very high	146 Å²	146	43.8 Å²	43.8	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-51.2	-37.2	176.9	-176.4	-177.6	57.8	-121.9	-11.9	113.2	N214 R215 Q343	R211-N214 PolarHBondContact O-N 3.29Å; R211-R215 VanDerWaalsContact O-CB 3.22Å; R211-R215 WeakPolarHBondContact O-CB 3.49Å; R211-R215 PolarHBondContact O-N 3.49Å; R211-Q343 VanDerWaalsContact N-NE2 3.19Å
212	E	98.7	Very high	98.3	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-44.1	-177.5	-68	71.3	-156.6	0	0	111.2	C210 R215 V216 L300 D303 Q343 F399	C210-E212 PolarHBondContact O-N 3.34Å; E212-R215 PolarHBondContact O-N 3.01Å; E212-V216 WeakPolarHBondContact O-CG2 3.47Å; E212-V216 PolarHBondContact O-N 3.44Å; E212-V216 VanDerWaalsContact O-N 3.12Å; E212-L300 HydrophobicContact CB-CD2 4Å; E212-D303 HydrophobicContact CB-CB 4.38Å; E212-Q343 PolarHBondContact OE2-NE2 2.87Å; E212-F399 HydrophobicContact CB-CE2 4.17Å; E212-F399 HydrophobicContact CG-CE2 3.87Å
213	H	98.8	Very high	98.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-51.8	171.5	179.5	102.2	0	0	0	110.9	Y205 A209 C210 R215 V216 F217 L295 P299 L300	Y205-H213 AromaticContact CD1-NE2 3.67Å; Y205-H213 AromaticContact CD2-NE2 3.3Å; Y205-H213 VanDerWaalsContact CD2-NE2 3.3Å; Y205-H213 WeakPolarHBondContact CD2-NE2 3.39Å; Y205-H213 AromaticContact CE1-NE2 3.79Å; Y205-H213 AromaticContact CE2-NE2 3.46Å; Y205-H213 WeakPolarHBondContact CE2-NE2 3.37Å; Y205-H213 AromaticContact CG-CD2 3.97Å; Y205-H213 AromaticContact CG-NE2 3.42Å; Y205-H213 AromaticContact CZ-CE1 3.87Å; Y205-H213 AromaticContact CZ-NE2 3.67Å; A209-H213 HydrophobicContact CB-CB 4.07Å; C210-H213 PolarHBondContact O-N 3.16Å; H213-R215 PolarHBondContact O-N 3.16Å; H213-V216 PolarHBondContact O-N 2.93Å; H213-V216 VanDerWaalsContact O-N 3.17Å; H213-F217 AromaticContact CE1-CD2 3.99Å; H213-F217 AromaticContact NE2-CD2 3.56Å; H213-F217 WeakPolarHBondContact O-CB 3.4Å; H213-F217 PolarHBondContact O-N 3.17Å; H213-L295 PolarHBondContact CE1-O 3.31Å; H213-P299 WeakPolarHBondContact ND1-CB 3.44Å; H213-L300 HydrophobicContact CB-CD2 4.36Å
214	N	98.7	Very high	98.4	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-24.4	-179.3	-76.9	-47.5	0	0	0	113.8	Y205 A209 C210 R211 P218	Y205-N214 PolarHBondContact O-ND2 3.2Å; Y205-N214 PolarHBondContact O-OD1 2.85Å; A209-N214 PolarHBondContact O-ND2 3.07Å; C210-N214 PolarHBondContact O-N 3.46Å; C210-N214 VanDerWaalsContact O-N 3.16Å; C210-N214 PolarHBondContact O-ND2 3.32Å; R211-N214 PolarHBondContact O-N 3.29Å; N214-P218 WeakPolarHBondContact O-CD 3.46Å
215	R	98.5	Very high	98.4	Very high	124 Å²	124	49.4 Å²	49.4	47%	0.468	24%	0.243	S	C	.	.	H	α-helix	trans	-75.2	-39.5	174.7	-179.8	179.4	69.6	83.9	-2.1	111.8	R211 E212 H213 D303	R211-R215 VanDerWaalsContact O-CB 3.22Å; R211-R215 WeakPolarHBondContact O-CB 3.49Å; R211-R215 PolarHBondContact O-N 3.49Å; E212-R215 PolarHBondContact O-N 3.01Å; H213-R215 PolarHBondContact O-N 3.16Å; R215-D303 IonicContact CZ-OD2 3.9Å; R215-D303 IonicContact NH2-OD2 2.93Å; R215-D303 PolarHBondContact NH2-OD2 3.45Å
216	V	98.7	Very high	98.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-84.1	-36.7	-176.5	171.1	0	0	0	0	112	E212 H213 L219 L220 F240 P299 A302	E212-V216 WeakPolarHBondContact O-CG2 3.47Å; E212-V216 PolarHBondContact O-N 3.44Å; E212-V216 VanDerWaalsContact O-N 3.12Å; H213-V216 PolarHBondContact O-N 2.93Å; H213-V216 VanDerWaalsContact O-N 3.17Å; V216-L219 WeakPolarHBondContact O-CA 3.46Å; V216-L219 VanDerWaalsContact O-CB 3.28Å; V216-L219 WeakPolarHBondContact O-CB 3.45Å; V216-L219 PolarHBondContact O-N 3.42Å; V216-L220 HydrophobicContact CG1-CD1 4.01Å; V216-L220 HydrophobicContact CG1-CG 4.01Å; V216-L220 PolarHBondContact O-N 2.64Å; V216-F240 HydrophobicContact CG1-CE1 4.35Å; V216-P299 HydrophobicContact CG1-CB 4.35Å; V216-P299 WeakPolarHBondContact CG1-O 3.5Å; V216-P299 WeakPolarHBondContact CG2-O 3.45Å; V216-A302 HydrophobicContact CG1-CB 3.64Å; V216-A302 HydrophobicContact CG2-CB 4.04Å
217	F	98.8	Very high	98.4	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-52.8	-44.5	-172.1	-161	-88.4	0	0	0	113.9	F198 K202 Y205 H213 L219 L220 E221 Y226 L295 P299	F198-F217 HydrophobicContact CD2-CZ 4.47Å; F198-F217 HydrophobicContact CE2-CE1 4.22Å; F198-F217 AromaticContact CE2-CZ 3.66Å; F198-F217 HydrophobicContact CE2-CZ 3.66Å; F198-F217 AromaticContact CZ-CE1 3.9Å; F198-F217 HydrophobicContact CZ-CE1 3.9Å; F198-F217 AromaticContact CZ-CZ 3.8Å; F198-F217 HydrophobicContact CZ-CZ 3.8Å; K202-F217 HydrophobicContact CD-CE1 4.06Å; K202-F217 HydrophobicContact CG-CE1 4.2Å; Y205-F217 HydrophobicContact CD2-CD2 4.3Å; Y205-F217 HydrophobicContact CD2-CE2 4.12Å; Y205-F217 HydrophobicContact CD2-CZ 4.33Å; Y205-F217 HydrophobicContact CE2-CD2 4.14Å; Y205-F217 AromaticContact CE2-CE2 3.61Å; Y205-F217 HydrophobicContact CE2-CE2 3.61Å; Y205-F217 AromaticContact CE2-CZ 3.94Å; Y205-F217 HydrophobicContact CE2-CZ 3.94Å; H213-F217 AromaticContact CE1-CD2 3.99Å; H213-F217 AromaticContact NE2-CD2 3.56Å; H213-F217 WeakPolarHBondContact O-CB 3.4Å; H213-F217 PolarHBondContact O-N 3.17Å; F217-L219 VanDerWaalsContact C-N 3.26Å; F217-L219 PolarHBondContact O-N 3.38Å; F217-L220 WeakPolarHBondContact O-CB 3.1Å; F217-L220 PolarHBondContact O-N 3.32Å; F217-E221 HydrophobicContact CD1-CG 4.06Å; F217-E221 HydrophobicContact CE1-CG 3.98Å; F217-E221 PolarHBondContact O-N 2.93Å; F217-E221 VanDerWaalsContact O-N 3.11Å; F217-Y226 HydrophobicContact CE2-CD1 4.25Å; F217-Y226 HydrophobicContact CZ-CD1 4.38Å; F217-L295 HydrophobicContact CE2-CD2 4.08Å; F217-L295 HydrophobicContact CZ-CD2 4.34Å; F217-P299 HydrophobicContact CD2-CG 4.43Å
218	P	98.6	Very high	98.4	Very high	67 Å²	67	48.5 Å²	48.5	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-59.8	-33.1	175.7	-24.4	35.7	0	0	0	114	N214 L220 E221 E222	N214-P218 WeakPolarHBondContact O-CD 3.46Å; P218-L220 VanDerWaalsContact C-N 3.33Å; P218-E221 PolarHBondContact O-N 3.49Å; P218-E222 PolarHBondContact O-N 3.23Å
219	L	98.7	Very high	98.4	Very high	63 Å²	63	52.1 Å²	52.1	33%	0.33	25%	0.248	S	C	.	.	H	α-helix	trans	-69.2	-34.2	176.3	-54.2	175.7	0	0	0	111.2	V216 F217 E221 E222 Y223 F240	V216-L219 WeakPolarHBondContact O-CA 3.46Å; V216-L219 VanDerWaalsContact O-CB 3.28Å; V216-L219 WeakPolarHBondContact O-CB 3.45Å; V216-L219 PolarHBondContact O-N 3.42Å; F217-L219 VanDerWaalsContact C-N 3.26Å; F217-L219 PolarHBondContact O-N 3.38Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-E222 PolarHBondContact O-N 2.92Å; L219-Y223 HydrophobicContact CB-CD2 4.26Å; L219-Y223 HydrophobicContact CD2-CE2 4.14Å; L219-Y223 WeakPolarHBondContact O-CB 3.3Å; L219-Y223 VanDerWaalsContact O-CD2 3.28Å; L219-Y223 WeakPolarHBondContact O-CD2 3.2Å; L219-Y223 PolarHBondContact O-N 3.38Å; L219-F240 HydrophobicContact CB-CE2 4.13Å; L219-F240 HydrophobicContact CB-CZ 3.88Å; L219-F240 HydrophobicContact CD1-CZ 4.49Å
220	L	98.7	Very high	98.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-36.4	174	-64.2	171.9	0	0	0	111.3	V216 F217 P218 C224 G225 Y226 F240 V298 P299	V216-L220 HydrophobicContact CG1-CD1 4.01Å; V216-L220 HydrophobicContact CG1-CG 4.01Å; V216-L220 PolarHBondContact O-N 2.64Å; F217-L220 WeakPolarHBondContact O-CB 3.1Å; F217-L220 PolarHBondContact O-N 3.32Å; P218-L220 VanDerWaalsContact C-N 3.33Å; L220-C224 HydrophobicContact CD2-CB 4.23Å; L220-C224 CarbonylContact O-C 3.49Å; L220-C224 WeakPolarHBondContact O-CA 3.42Å; L220-C224 VanDerWaalsContact O-CB 3.31Å; L220-C224 WeakPolarHBondContact O-CB 3.36Å; L220-C224 PolarHBondContact O-N 2.92Å; L220-G225 PolarHBondContact O-N 3.18Å; L220-Y226 HydrophobicContact CB-CD1 3.96Å; L220-Y226 HydrophobicContact CB-CD2 3.72Å; L220-Y226 HydrophobicContact CB-CE1 4.2Å; L220-Y226 HydrophobicContact CB-CE2 3.97Å; L220-Y226 HydrophobicContact CB-CG 3.73Å; L220-Y226 HydrophobicContact CD1-CD1 4.37Å; L220-Y226 HydrophobicContact CD1-CE1 3.89Å; L220-Y226 HydrophobicContact CD1-CE2 4.46Å; L220-Y226 HydrophobicContact CD2-CE2 4.17Å; L220-Y226 HydrophobicContact CG-CE2 4.43Å; L220-Y226 PolarHBondContact O-N 2.82Å; L220-F240 HydrophobicContact CD2-CD1 3.61Å; L220-F240 HydrophobicContact CD2-CE1 3.45Å; L220-F240 VanDerWaalsContact CD2-CE1 3.45Å; L220-F240 HydrophobicContact CD2-CG 4.46Å; L220-F240 HydrophobicContact CD2-CZ 4.2Å; L220-F240 HydrophobicContact CG-CE1 4.29Å; L220-V298 HydrophobicContact CD1-CG1 4.09Å; L220-V298 HydrophobicContact CD2-CG1 3.95Å; L220-P299 HydrophobicContact CD1-CB 4.18Å; L220-P299 HydrophobicContact CD1-CG 3.79Å
221	E	98.5	Very high	98.4	Very high	50 Å²	50	55.3 Å²	55.3	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-41.4	173.8	-58.3	-162.7	98	0	0	111.7	K202 F217 P218 L219 Y226	K202-E221 WeakPolarHBondContact CE-OE2 3.39Å; K202-E221 IonicContact NZ-OE1 3Å; K202-E221 PolarHBondContact NZ-OE1 3.43Å; K202-E221 IonicContact NZ-OE2 3.62Å; K202-E221 PolarHBondContact NZ-OE2 3.06Å; F217-E221 HydrophobicContact CD1-CG 4.06Å; F217-E221 HydrophobicContact CE1-CG 3.98Å; F217-E221 PolarHBondContact O-N 2.93Å; F217-E221 VanDerWaalsContact O-N 3.11Å; P218-E221 PolarHBondContact O-N 3.49Å; L219-E221 VanDerWaalsContact C-N 3.34Å; E221-Y226 WeakPolarHBondContact CA-O 3.24Å
222	E	98.1	Very high	98.4	Very high	126 Å²	126	48.3 Å²	48.3	59%	0.589	24%	0.239	S	C	*	.	H	α-helix	trans	-73.7	-48.1	-178	-171	178.1	167.8	0	0	112.9	P218 L219	P218-E222 PolarHBondContact O-N 3.23Å; L219-E222 PolarHBondContact O-N 2.92Å
223	Y	98.1	Very high	98.4	Very high	146 Å²	146	48.8 Å²	48.8	57%	0.573	24%	0.241	S	C	*	.	H	α-helix	trans	-106.9	-19.4	-167.5	-61.3	-72	0	0	0	114.7	L219	L219-Y223 HydrophobicContact CB-CD2 4.26Å; L219-Y223 HydrophobicContact CD2-CE2 4.14Å; L219-Y223 WeakPolarHBondContact O-CB 3.3Å; L219-Y223 VanDerWaalsContact O-CD2 3.28Å; L219-Y223 WeakPolarHBondContact O-CD2 3.2Å; L219-Y223 PolarHBondContact O-N 3.38Å
224	C	98.3	Very high	98.4	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.034	24%	0.241	C	C	.	.	S	Bend	trans	-115.8	3.7	-175.3	-60.6	0	0	0	0	113.7	L220 Y226 V237 F240	L220-C224 HydrophobicContact CD2-CB 4.23Å; L220-C224 CarbonylContact O-C 3.49Å; L220-C224 WeakPolarHBondContact O-CA 3.42Å; L220-C224 VanDerWaalsContact O-CB 3.31Å; L220-C224 WeakPolarHBondContact O-CB 3.36Å; L220-C224 PolarHBondContact O-N 2.92Å; C224-Y226 VanDerWaalsContact C-N 3.34Å; C224-Y226 HydrophobicContact CB-CD2 3.76Å; C224-Y226 HydrophobicContact CB-CE2 3.89Å; C224-Y226 PolarHBondContact O-N 3.05Å; C224-V237 HydrophobicContact CB-CG2 4.16Å; C224-F240 WeakPolarHBondContact SG-CB 3.37Å; C224-F240 WeakPolarHBondContact SG-CG 3.47Å
225	G	97	Very high	98.4	Very high	21 Å²	21	47.3 Å²	47.3	22%	0.216	23%	0.233	C	C	.	.			trans	70.8	26.4	177.5	0	0	0	0	0	114.2	L220 K227 N230	L220-G225 PolarHBondContact O-N 3.18Å; G225-K227 PolarHBondContact O-N 2.95Å; G225-N230 PolarHBondContact O-ND2 2.68Å
226	Y	98.6	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.			trans	-67	103.1	172.6	-83.1	-128.9	0	0	0	109.7	F198 F217 L220 E221 C224 P232 V237 L294 L295 V298	F198-Y226 HydrophobicContact CE2-CD1 4.25Å; F217-Y226 HydrophobicContact CE2-CD1 4.25Å; F217-Y226 HydrophobicContact CZ-CD1 4.38Å; L220-Y226 HydrophobicContact CB-CD1 3.96Å; L220-Y226 HydrophobicContact CB-CD2 3.72Å; L220-Y226 HydrophobicContact CB-CE1 4.2Å; L220-Y226 HydrophobicContact CB-CE2 3.97Å; L220-Y226 HydrophobicContact CB-CG 3.73Å; L220-Y226 HydrophobicContact CD1-CD1 4.37Å; L220-Y226 HydrophobicContact CD1-CE1 3.89Å; L220-Y226 HydrophobicContact CD1-CE2 4.46Å; L220-Y226 HydrophobicContact CD2-CE2 4.17Å; L220-Y226 HydrophobicContact CG-CE2 4.43Å; L220-Y226 PolarHBondContact O-N 2.82Å; E221-Y226 WeakPolarHBondContact CA-O 3.24Å; C224-Y226 VanDerWaalsContact C-N 3.34Å; C224-Y226 HydrophobicContact CB-CD2 3.76Å; C224-Y226 HydrophobicContact CB-CE2 3.89Å; C224-Y226 PolarHBondContact O-N 3.05Å; Y226-P232 HydrophobicContact CD1-CG 4.43Å; Y226-P232 HydrophobicContact CD2-CB 3.83Å; Y226-P232 HydrophobicContact CD2-CG 3.22Å; Y226-P232 HydrophobicContact CE2-CB 3.67Å; Y226-P232 HydrophobicContact CE2-CG 3.39Å; Y226-P232 HydrophobicContact CG-CG 3.8Å; Y226-V237 HydrophobicContact CE2-CG2 3.92Å; Y226-L294 HydrophobicContact CE1-CB 4.31Å; Y226-L294 VanDerWaalsContact CE1-O 3.24Å; Y226-L294 WeakPolarHBondContact CE1-O 3.34Å; Y226-L294 WeakPolarHBondContact OH-CA 3.41Å; Y226-L294 WeakPolarHBondContact OH-CB 3.38Å; Y226-L294 PolarHBondContact OH-O 3.18Å; Y226-L295 HydrophobicContact CD1-CD2 4.18Å; Y226-L295 HydrophobicContact CE1-CD2 4.08Å; Y226-V298 WeakPolarHBondContact OH-CG1 3.24Å
227	K	98.1	Very high	98.4	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.47	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-145.7	154.6	-179.7	-60.9	-178.3	-177.5	175.7	0	109.7	W194 G225 D229 N230	W194-K227 PolarHBondContact NE1-O 3.09Å; G225-K227 PolarHBondContact O-N 2.95Å; K227-D229 WeakPolarHBondContact CB-OD1 3.47Å; K227-D229 PolarHBondContact O-N 3.18Å; K227-D229 VanDerWaalsContact O-N 3.15Å; K227-N230 HydrophobicContact CB-CB 4.3Å; K227-N230 PolarHBondContact O-N 3.3Å
228	P	97.8	Very high	98.4	Very high	49 Å²	49	43.5 Å²	43.5	32%	0.318	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.9	180	27.3	-36	0	0	0	114	G195 F198 R199	G195-P228 WeakPolarHBondContact CA-O 3.39Å; F198-P228 HydrophobicContact CD1-CB 3.98Å; R199-P228 HydrophobicContact CG-CB 3.99Å
229	D	97.6	Very high	98.4	Very high	111 Å²	111	47.4 Å²	47.4	59%	0.594	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	6.2	-179.8	62.1	-24.6	0	0	0	113.2	K227	K227-D229 WeakPolarHBondContact CB-OD1 3.47Å; K227-D229 PolarHBondContact O-N 3.18Å; K227-D229 VanDerWaalsContact O-N 3.15Å
230	N	98.3	Very high	98.4	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.353	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-144.1	123.2	-178.3	-177.6	64.3	0	0	0	111.8	W194 G225 K227 P232	W194-N230 PolarHBondContact NE1-O 3.1Å; W194-N230 VanDerWaalsContact NE1-O 3.08Å; G225-N230 PolarHBondContact O-ND2 2.68Å; K227-N230 HydrophobicContact CB-CB 4.3Å; K227-N230 PolarHBondContact O-N 3.3Å; N230-P232 WeakPolarHBondContact O-CD 3.28Å
231	I	98.8	Very high	98.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-80.9	120.6	169.8	-60.8	170.4	0	0	0	108	Y186 E190 K191 W194 I276 V290	Y186-I231 HydrophobicContact CD1-CD1 3.66Å; Y186-I231 HydrophobicContact CD2-CB 3.72Å; Y186-I231 HydrophobicContact CD2-CD1 4.18Å; Y186-I231 HydrophobicContact CD2-CG2 3.9Å; Y186-I231 HydrophobicContact CE1-CD1 4.19Å; Y186-I231 HydrophobicContact CE1-CG2 4.25Å; Y186-I231 HydrophobicContact CE2-CB 3.91Å; Y186-I231 HydrophobicContact CE2-CG2 3.54Å; Y186-I231 HydrophobicContact CG-CB 4.11Å; Y186-I231 HydrophobicContact CG-CD1 3.65Å; Y186-I231 HydrophobicContact CG-CG1 4.42Å; Y186-I231 HydrophobicContact CG-CG2 4.4Å; E190-I231 HydrophobicContact CB-CD1 4.21Å; K191-I231 HydrophobicContact CG-CD1 4.4Å; K191-I231 HydrophobicContact CG-CG1 4.43Å; W194-I231 HydrophobicContact CB-CD1 3.88Å; W194-I231 HydrophobicContact CB-CG1 3.51Å; W194-I231 HydrophobicContact CD2-CG1 3.9Å; W194-I231 HydrophobicContact CE3-CG1 4.3Å; W194-I231 HydrophobicContact CE3-CG2 4.49Å; W194-I231 HydrophobicContact CG-CD1 4.42Å; W194-I231 HydrophobicContact CG-CG1 3.53Å; I231-I276 HydrophobicContact CD1-CD1 3.82Å; I231-V290 HydrophobicContact CG2-CG1 4.25Å; I231-V290 HydrophobicContact CG2-CG2 4.25Å
232	P	98.7	Very high	98.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.3	143.7	178.2	-22.1	32	0	0	0	112.6	W194 Y226 N230 V237 L294	W194-P232 HydrophobicContact CH2-CG 4.22Å; W194-P232 VanDerWaalsContact CZ2-CD 3.44Å; W194-P232 HydrophobicContact CZ2-CG 4.05Å; Y226-P232 HydrophobicContact CD1-CG 4.43Å; Y226-P232 HydrophobicContact CD2-CB 3.83Å; Y226-P232 HydrophobicContact CD2-CG 3.22Å; Y226-P232 HydrophobicContact CE2-CB 3.67Å; Y226-P232 HydrophobicContact CE2-CG 3.39Å; Y226-P232 HydrophobicContact CG-CG 3.8Å; N230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-V237 HydrophobicContact CB-CG2 3.86Å; P232-L294 HydrophobicContact CB-CD1 3.82Å; P232-L294 HydrophobicContact CG-CD1 3.88Å
233	Q	98.8	Very high	98.5	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.117	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-84.4	133.5	175.5	-62.8	-64.7	-44.6	0	0	110.1	R183 V184 E235 D236 V237	R183-Q233 HydrophobicContact CG-CB 4.35Å; R183-Q233 HydrophobicContact CG-CG 4.21Å; V184-Q233 PolarHBondContact O-NE2 3.05Å; Q233-E235 PolarHBondContact O-N 2.98Å; Q233-E235 VanDerWaalsContact O-N 3.13Å; Q233-D236 PolarHBondContact O-N 3.21Å; Q233-D236 VanDerWaalsContact O-N 3.09Å; Q233-V237 PolarHBondContact O-N 2.91Å
234	L	98.8	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-33.3	-178.3	-61.3	-163.5	0	0	0	112.9	I181 V237 S238 L249 Q274 L294	I181-L234 HydrophobicContact CD1-CB 3.87Å; I181-L234 HydrophobicContact CG2-CB 3.95Å; L234-V237 PolarHBondContact O-N 3.25Å; L234-S238 WeakPolarHBondContact O-CB 3.4Å; L234-S238 PolarHBondContact O-N 2.94Å; L234-L249 HydrophobicContact CB-CD1 4.12Å; L234-L249 HydrophobicContact CD2-CD1 3.93Å; L234-L249 HydrophobicContact CG-CD1 4.47Å; L234-Q274 HydrophobicContact CD1-CG 3.31Å; L234-Q274 HydrophobicContact CG-CG 3.79Å; L234-L294 HydrophobicContact CD2-CD2 3.84Å
235	E	98.8	Very high	98.5	Very high	21 Å²	21	41 Å²	41	10%	0.098	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-46.4	177.5	177.7	59.3	-167.4	0	0	112.2	I181 Q233 S238 R239	I181-E235 HydrophobicContact CB-CB 4.1Å; I181-E235 PolarHBondContact N-OE2 2.79Å; Q233-E235 PolarHBondContact O-N 2.98Å; Q233-E235 VanDerWaalsContact O-N 3.13Å; E235-S238 PolarHBondContact O-N 3.44Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 3.5Å; E235-R239 IonicContact OE1-CZ 3.09Å; E235-R239 IonicContact OE1-NE 2.73Å; E235-R239 PolarHBondContact OE1-NE 2.93Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.22Å
236	D	98.8	Very high	98.6	Very high	50 Å²	50	41.5 Å²	41.5	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-43.2	-177.9	-59.9	-22.5	0	0	0	110.2	R183 Q233 R239 F240	R183-D236 IonicContact CZ-OD1 3.63Å; R183-D236 IonicContact CZ-OD2 3.87Å; R183-D236 IonicContact NH2-OD1 3.76Å; R183-D236 PolarHBondContact NH2-OD1 2.87Å; R183-D236 IonicContact NH2-OD2 2.69Å; R183-D236 PolarHBondContact NH2-OD2 3.11Å; Q233-D236 PolarHBondContact O-N 3.21Å; Q233-D236 VanDerWaalsContact O-N 3.09Å; D236-R239 PolarHBondContact O-N 2.99Å; D236-F240 PolarHBondContact O-N 2.72Å
237	V	98.9	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-41.7	176.3	-178.5	0	0	0	0	111.4	C224 Y226 P232 Q233 L234 R239 F240 L241 L249 L294 V298	C224-V237 HydrophobicContact CB-CG2 4.16Å; Y226-V237 HydrophobicContact CE2-CG2 3.92Å; P232-V237 HydrophobicContact CB-CG2 3.86Å; Q233-V237 PolarHBondContact O-N 2.91Å; L234-V237 PolarHBondContact O-N 3.25Å; V237-R239 VanDerWaalsContact C-N 3.34Å; V237-R239 PolarHBondContact O-N 3.3Å; V237-F240 WeakPolarHBondContact O-CB 3.17Å; V237-F240 PolarHBondContact O-N 2.76Å; V237-L241 HydrophobicContact CG1-CD1 4.29Å; V237-L241 HydrophobicContact CG1-CG 4.45Å; V237-L241 WeakPolarHBondContact O-CG 3.4Å; V237-L241 PolarHBondContact O-N 3Å; V237-L249 HydrophobicContact CB-CD1 3.92Å; V237-L249 HydrophobicContact CG1-CD1 3.74Å; V237-L294 HydrophobicContact CG1-CD2 4.35Å; V237-L294 HydrophobicContact CG2-CD2 4.24Å; V237-V298 HydrophobicContact CG1-CB 4.27Å; V237-V298 HydrophobicContact CG1-CG1 3.42Å; V237-V298 VanDerWaalsContact CG1-CG1 3.42Å; V237-V298 HydrophobicContact CG1-CG2 3.8Å
238	S	98.9	Very high	98.6	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-41.2	176.9	-173.5	0	0	0	0	111.3	L234 E235 Q242 R248 L249	L234-S238 WeakPolarHBondContact O-CB 3.4Å; L234-S238 PolarHBondContact O-N 2.94Å; E235-S238 PolarHBondContact O-N 3.44Å; S238-Q242 WeakPolarHBondContact O-CB 3.39Å; S238-Q242 VanDerWaalsContact O-CG 3.24Å; S238-Q242 WeakPolarHBondContact O-CG 3.44Å; S238-Q242 PolarHBondContact O-N 3.03Å; S238-Q242 PolarHBondContact O-NE2 3.33Å; S238-Q242 VanDerWaalsContact O-NE2 3.14Å; S238-Q242 PolarHBondContact OG-NE2 3.24Å; S238-R248 WeakPolarHBondContact OG-CB 3.49Å; S238-L249 PolarHBondContact OG-N 2.99Å
239	R	98.8	Very high	98.7	Very high	149 Å²	149	36 Å²	36	56%	0.562	19%	0.193	S	C	*	.	H	α-helix	trans	-65.5	-41.7	174.8	-72.3	-179.5	-169.9	-166.8	5.9	112	E235 D236 V237 Q242 S243	E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 3.5Å; E235-R239 IonicContact OE1-CZ 3.09Å; E235-R239 IonicContact OE1-NE 2.73Å; E235-R239 PolarHBondContact OE1-NE 2.93Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 3.22Å; D236-R239 PolarHBondContact O-N 2.99Å; V237-R239 VanDerWaalsContact C-N 3.34Å; V237-R239 PolarHBondContact O-N 3.3Å; R239-Q242 PolarHBondContact O-N 3.08Å; R239-S243 PolarHBondContact O-N 3.12Å
240	F	98.9	Very high	98.7	Very high	24 Å²	24	31 Å²	31	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-51.5	175.5	174.5	-97.3	0	0	0	111.3	V216 L219 L220 C224 D236 V237 Q242 S243 C244 A302	V216-F240 HydrophobicContact CG1-CE1 4.35Å; L219-F240 HydrophobicContact CB-CE2 4.13Å; L219-F240 HydrophobicContact CB-CZ 3.88Å; L219-F240 HydrophobicContact CD1-CZ 4.49Å; L220-F240 HydrophobicContact CD2-CD1 3.61Å; L220-F240 HydrophobicContact CD2-CE1 3.45Å; L220-F240 VanDerWaalsContact CD2-CE1 3.45Å; L220-F240 HydrophobicContact CD2-CG 4.46Å; L220-F240 HydrophobicContact CD2-CZ 4.2Å; L220-F240 HydrophobicContact CG-CE1 4.29Å; C224-F240 WeakPolarHBondContact SG-CB 3.37Å; C224-F240 WeakPolarHBondContact SG-CG 3.47Å; D236-F240 PolarHBondContact O-N 2.72Å; V237-F240 WeakPolarHBondContact O-CB 3.17Å; V237-F240 PolarHBondContact O-N 2.76Å; F240-Q242 VanDerWaalsContact C-N 3.27Å; F240-Q242 PolarHBondContact O-N 2.99Å; F240-S243 WeakPolarHBondContact O-CB 3.37Å; F240-S243 PolarHBondContact O-N 3.47Å; F240-S243 PolarHBondContact O-OG 2.9Å; F240-C244 PolarHBondContact O-N 3.23Å; F240-C244 VanDerWaalsContact O-N 3.08Å; F240-C244 PolarHBondContact O-SG 3.47Å; F240-C244 VanDerWaalsContact O-SG 3.33Å; F240-A302 HydrophobicContact CE1-CB 3.86Å
241	L	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-39.6	176.9	-71.4	177	0	0	0	112.4	V237 S243 C244 T245 G246 F247 L249 V298 F301 A302	V237-L241 HydrophobicContact CG1-CD1 4.29Å; V237-L241 HydrophobicContact CG1-CG 4.45Å; V237-L241 WeakPolarHBondContact O-CG 3.4Å; V237-L241 PolarHBondContact O-N 3Å; L241-S243 VanDerWaalsContact C-N 3.28Å; L241-S243 PolarHBondContact O-N 3.33Å; L241-C244 PolarHBondContact O-N 2.82Å; L241-T245 PolarHBondContact O-N 3.25Å; L241-T245 PolarHBondContact O-OG1 3.32Å; L241-G246 PolarHBondContact O-N 3.07Å; L241-F247 CarbonylContact C-O 3.59Å; L241-F247 HydrophobicContact CB-CB 4.07Å; L241-F247 WeakPolarHBondContact CB-O 3.43Å; L241-L249 HydrophobicContact CD1-CD2 3.72Å; L241-L249 HydrophobicContact CD1-CG 4.06Å; L241-V298 HydrophobicContact CD1-CG1 4.4Å; L241-V298 HydrophobicContact CD1-CG2 4.43Å; L241-V298 HydrophobicContact CD2-CG1 4.29Å; L241-V298 HydrophobicContact CG-CG1 4.48Å; L241-F301 HydrophobicContact CD1-CB 4.33Å; L241-F301 HydrophobicContact CD2-CB 3.82Å; L241-A302 HydrophobicContact CD2-CB 3.87Å
242	Q	98.8	Very high	98.6	Very high	72 Å²	72	28.3 Å²	28.3	34%	0.336	15%	0.152	S	C	.	.	H	α-helix	trans	-61.9	-39.5	176.9	-77.9	174.3	86.6	0	0	111.3	S238 R239 F240 C244 G246 F247 R248	S238-Q242 WeakPolarHBondContact O-CB 3.39Å; S238-Q242 VanDerWaalsContact O-CG 3.24Å; S238-Q242 WeakPolarHBondContact O-CG 3.44Å; S238-Q242 PolarHBondContact O-N 3.03Å; S238-Q242 PolarHBondContact O-NE2 3.33Å; S238-Q242 VanDerWaalsContact O-NE2 3.14Å; S238-Q242 PolarHBondContact OG-NE2 3.24Å; R239-Q242 PolarHBondContact O-N 3.08Å; F240-Q242 VanDerWaalsContact C-N 3.27Å; F240-Q242 PolarHBondContact O-N 2.99Å; Q242-C244 VanDerWaalsContact C-N 3.34Å; Q242-G246 WeakPolarHBondContact O-CA 3.49Å; Q242-G246 PolarHBondContact O-N 3.39Å; Q242-G246 VanDerWaalsContact O-N 3.12Å; Q242-F247 VanDerWaalsContact CA-O 3.3Å; Q242-F247 WeakPolarHBondContact CA-O 3.38Å; Q242-F247 WeakPolarHBondContact CG-O 3.37Å; Q242-F247 PolarHBondContact N-O 3.46Å; Q242-R248 HydrophobicContact CG-CB 3.89Å
243	S	98.5	Very high	98.1	Very high	95 Å²	95	28.5 Å²	28.5	66%	0.664	15%	0.153	S	C	*	.	H	α-helix	trans	-70.3	-27	177.3	79.3	0	0	0	0	113.8	R239 F240 L241	R239-S243 PolarHBondContact O-N 3.12Å; F240-S243 WeakPolarHBondContact O-CB 3.37Å; F240-S243 PolarHBondContact O-N 3.47Å; F240-S243 PolarHBondContact O-OG 2.9Å; L241-S243 VanDerWaalsContact C-N 3.28Å; L241-S243 PolarHBondContact O-N 3.33Å
244	C	98.5	Very high	97.6	Very high	53 Å²	53	27.5 Å²	27.5	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-86.8	-53.1	-179.5	-61.4	0	0	0	0	112.6	F240 L241 Q242 A302	F240-C244 PolarHBondContact O-N 3.23Å; F240-C244 VanDerWaalsContact O-N 3.08Å; F240-C244 PolarHBondContact O-SG 3.47Å; F240-C244 VanDerWaalsContact O-SG 3.33Å; L241-C244 PolarHBondContact O-N 2.82Å; Q242-C244 VanDerWaalsContact C-N 3.34Å; C244-A302 HydrophobicContact CB-CB 4.2Å
245	T	98.8	Very high	96.6	Very high	11 Å²	11	30.6 Å²	30.6	7%	0.067	17%	0.166	C	C	.	.	H	α-helix	trans	-136.3	0.8	-168.3	63.3	0	0	0	0	113.1	L241 F247 R268 F301 A302 P304 A307	L241-T245 PolarHBondContact O-N 3.25Å; L241-T245 PolarHBondContact O-OG1 3.32Å; T245-F247 PolarHBondContact O-N 3.13Å; T245-F247 PolarHBondContact OG1-N 2.77Å; T245-R268 WeakPolarHBondContact O-CD 3.47Å; T245-R268 PolarHBondContact O-NH1 3.25Å; T245-F301 WeakPolarHBondContact CB-O 3.41Å; T245-F301 VanDerWaalsContact CG2-O 3.29Å; T245-F301 WeakPolarHBondContact CG2-O 3.49Å; T245-F301 PolarHBondContact OG1-O 3.09Å; T245-A302 VanDerWaalsContact CG2-C 3.49Å; T245-A302 WeakPolarHBondContact CG2-O 3.32Å; T245-P304 HydrophobicContact CG2-CG 4.29Å; T245-A307 HydrophobicContact CG2-CB 3.89Å
246	G	98.5	Very high	95.8	Very high	32 Å²	32	30.3 Å²	30.3	33%	0.33	17%	0.165	S	C	.	.	S	Bend	trans	74.2	2.5	-173.1	0	0	0	0	0	114.1	L241 Q242	L241-G246 PolarHBondContact O-N 3.07Å; Q242-G246 WeakPolarHBondContact O-CA 3.49Å; Q242-G246 PolarHBondContact O-N 3.39Å; Q242-G246 VanDerWaalsContact O-N 3.12Å
247	F	98.8	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.			trans	-65	148.1	169.4	-101.9	-100	0	0	0	111.1	L241 Q242 T245 L265 R268 F270 F301 A307	L241-F247 CarbonylContact C-O 3.59Å; L241-F247 HydrophobicContact CB-CB 4.07Å; L241-F247 WeakPolarHBondContact CB-O 3.43Å; Q242-F247 VanDerWaalsContact CA-O 3.3Å; Q242-F247 WeakPolarHBondContact CA-O 3.38Å; Q242-F247 WeakPolarHBondContact CG-O 3.37Å; Q242-F247 PolarHBondContact N-O 3.46Å; T245-F247 PolarHBondContact O-N 3.13Å; T245-F247 PolarHBondContact OG1-N 2.77Å; F247-L265 HydrophobicContact CE1-CD2 4.44Å; F247-R268 CarbonylContact C-O 3.5Å; F247-R268 VanDerWaalsContact CA-O 3.24Å; F247-R268 WeakPolarHBondContact CA-O 3.35Å; F247-R268 HydrophobicContact CB-CB 4.41Å; F247-R268 HydrophobicContact CD1-CB 4.16Å; F247-R268 WeakPolarHBondContact CD1-O 3.32Å; F247-R268 HydrophobicContact CD2-CB 3.51Å; F247-R268 HydrophobicContact CD2-CG 3.78Å; F247-R268 HydrophobicContact CE1-CB 4.28Å; F247-R268 HydrophobicContact CE2-CB 3.62Å; F247-R268 HydrophobicContact CE2-CG 3.56Å; F247-R268 HydrophobicContact CG-CB 3.79Å; F247-R268 HydrophobicContact CZ-CB 4.01Å; F247-R268 HydrophobicContact CZ-CG 4.19Å; F247-F270 HydrophobicContact CD1-CB 4.46Å; F247-F301 HydrophobicContact CB-CB 4.3Å; F247-F301 HydrophobicContact CD1-CB 4.12Å; F247-F301 AromaticContact CD1-CD1 3.79Å; F247-F301 HydrophobicContact CD1-CD1 3.79Å; F247-F301 HydrophobicContact CD1-CD2 4.36Å; F247-F301 HydrophobicContact CD1-CE1 4.29Å; F247-F301 AromaticContact CD1-CG 3.85Å; F247-F301 HydrophobicContact CD1-CG 3.85Å; F247-F301 AromaticContact CE1-CD1 3.52Å; F247-F301 HydrophobicContact CE1-CD1 3.52Å; F247-F301 AromaticContact CE1-CE1 3.65Å; F247-F301 HydrophobicContact CE1-CE1 3.65Å; F247-F301 HydrophobicContact CE1-CG 4.06Å; F247-F301 HydrophobicContact CE1-CZ 4.24Å; F247-F301 HydrophobicContact CE2-CD1 4.36Å; F247-F301 HydrophobicContact CG-CB 4.11Å; F247-F301 HydrophobicContact CG-CD1 4.31Å; F247-F301 HydrophobicContact CG-CG 4.32Å; F247-F301 AromaticContact CZ-CD1 3.85Å; F247-F301 HydrophobicContact CZ-CD1 3.85Å; F247-F301 HydrophobicContact CZ-CE1 4.02Å; F247-A307 HydrophobicContact CD2-CB 3.68Å; F247-A307 HydrophobicContact CE2-CB 3.63Å; F247-A307 WeakPolarHBondContact CE2-O 3.2Å
248	R	98.8	Very high	94.5	Very high	41 Å²	41	32.2 Å²	32.2	16%	0.155	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.7	174.5	66.1	-176.8	66.3	-159.7	-9.8	110.9	H177 S238 Q242 R268 V269 F270	H177-R248 PolarHBondContact CE1-NH1 3.39Å; H177-R248 VanDerWaalsContact CE1-NH1 3.32Å; S238-R248 WeakPolarHBondContact OG-CB 3.49Å; Q242-R248 HydrophobicContact CG-CB 3.89Å; R248-R268 PolarHBondContact N-O 3.12Å; R248-V269 HydrophobicContact CG-CB 4.37Å; R248-V269 HydrophobicContact CG-CG1 4.44Å; R248-V269 HydrophobicContact CG-CG2 3.74Å; R248-V269 WeakPolarHBondContact O-CA 3.32Å; R248-F270 PolarHBondContact O-N 3.01Å
249	L	98.8	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	150.6	172.7	-53.7	-175	0	0	0	110.3	I181 L234 V237 S238 L241 F270 V298	I181-L249 HydrophobicContact CD1-CB 4.03Å; I181-L249 WeakPolarHBondContact CD1-O 3.46Å; L234-L249 HydrophobicContact CB-CD1 4.12Å; L234-L249 HydrophobicContact CD2-CD1 3.93Å; L234-L249 HydrophobicContact CG-CD1 4.47Å; V237-L249 HydrophobicContact CB-CD1 3.92Å; V237-L249 HydrophobicContact CG1-CD1 3.74Å; S238-L249 PolarHBondContact OG-N 2.99Å; L241-L249 HydrophobicContact CD1-CD2 3.72Å; L241-L249 HydrophobicContact CD1-CG 4.06Å; L249-F270 CarbonylContact C-O 2.99Å; L249-F270 WeakPolarHBondContact CA-O 3.46Å; L249-F270 HydrophobicContact CD2-CB 4.17Å; L249-F270 HydrophobicContact CD2-CD1 3.87Å; L249-V298 HydrophobicContact CD1-CG2 4.46Å; L249-V298 HydrophobicContact CD2-CG2 4.42Å
250	R	98.6	Very high	93.7	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.3	169	173.3	174.4	-177.2	97.9	11	108.2	D136 Y175 V252 V269 F270 H271 S272	D136-R250 IonicContact OD1-CZ 3.81Å; D136-R250 IonicContact OD1-NH1 2.66Å; D136-R250 PolarHBondContact OD1-NH1 2.63Å; D136-R250 IonicContact OD1-NH2 3.6Å; D136-R250 PolarHBondContact OD1-NH2 3.21Å; Y175-R250 HydrophobicContact CD1-CG 4.03Å; Y175-R250 HydrophobicContact CE1-CB 4.5Å; Y175-R250 HydrophobicContact CE1-CG 3.82Å; Y175-R250 PolarHBondContact O-NH2 2.85Å; R250-V252 PolarHBondContact O-N 3Å; R250-V269 HydrophobicContact CB-CG1 3.74Å; R250-F270 PolarHBondContact N-O 2.89Å; R250-H271 CarbonylContact O-C 3.58Å; R250-H271 WeakPolarHBondContact O-CA 3.49Å; R250-S272 PolarHBondContact O-N 2.91Å
251	P	98.4	Very high	93.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.4	176.2	28.7	-36	0	0	0	109.9	A172 Y175 I181 S272 Q274	A172-P251 HydrophobicContact CB-CB 4.27Å; Y175-P251 HydrophobicContact CD1-CG 3.77Å; Y175-P251 HydrophobicContact CD2-CG 3.83Å; Y175-P251 HydrophobicContact CE1-CG 4.37Å; Y175-P251 HydrophobicContact CE2-CG 4.41Å; Y175-P251 HydrophobicContact CG-CG 3.45Å; Y175-P251 VanDerWaalsContact CG-CG 3.45Å; I181-P251 HydrophobicContact CG2-CB 4.29Å; I181-P251 HydrophobicContact CG2-CG 4.02Å; P251-S272 WeakPolarHBondContact CA-O 3.41Å; P251-Q274 HydrophobicContact CB-CG 4.47Å
252	V	96.2	Very high	93.5	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.055	17%	0.168	C	C	.	.			trans	-129.5	142.3	174.5	73.4	0	0	0	0	109.9	I142 A172 R250 G254 L256 H271 S272 T273	I142-V252 HydrophobicContact CD1-CG2 3.88Å; A172-V252 VanDerWaalsContact CB-C 3.49Å; R250-V252 PolarHBondContact O-N 3Å; V252-G254 VanDerWaalsContact C-N 3.34Å; V252-G254 WeakPolarHBondContact CG2-O 3.29Å; V252-L256 HydrophobicContact CG2-CD1 4.05Å; V252-L256 HydrophobicContact CG2-CD2 4.1Å; V252-L256 HydrophobicContact CG2-CG 3.85Å; V252-H271 HydrophobicContact CB-CB 4.02Å; V252-H271 HydrophobicContact CG1-CB 4Å; V252-H271 HydrophobicContact CG2-CB 4.44Å; V252-S272 PolarHBondContact N-O 3.48Å; V252-T273 HydrophobicContact CG1-CG2 4.07Å
253	A	89.1	Confident	93.4	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.025	15%	0.154	C	C	.	.	S	Bend	trans	-74.4	-25.4	-175.9	0	0	0	0	0	113.1	I142 A169 A172 Y173	I142-A253 HydrophobicContact CD1-CB 4.03Å; I142-A253 HydrophobicContact CG1-CB 3.99Å; A169-A253 HydrophobicContact CB-CB 3.84Å; A172-A253 HydrophobicContact CB-CB 3.98Å; A172-A253 VanDerWaalsContact CB-N 3.32Å; Y173-A253 HydrophobicContact CD1-CB 4.36Å; Y173-A253 HydrophobicContact CE1-CB 3.83Å; Y173-A253 HydrophobicContact CE2-CB 4.35Å
254	G	86.7	Confident	93.4	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	-176.8	-155.9	-175.7	0	0	0	0	0	111.1	Y145 V252 L256	Y145-G254 WeakPolarHBondContact O-CA 3.42Å; V252-G254 VanDerWaalsContact C-N 3.34Å; V252-G254 WeakPolarHBondContact CG2-O 3.29Å; G254-L256 PolarHBondContact O-N 2.91Å
255	L	79.2	Confident	93.5	Very high	66 Å²	66	18 Å²	18	35%	0.346	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.7	-178.6	-72.8	-179.7	0	0	0	112.1	L143 S144 Y145 P288	L143-L255 PolarHBondContact N-O 2.89Å; S144-L255 PolarHBondContact O-N 3.19Å; Y145-L255 HydrophobicContact CD2-CD1 3.38Å; Y145-L255 HydrophobicContact CD2-CG 3.76Å; Y145-L255 HydrophobicContact CE2-CD1 3.47Å; Y145-L255 VanDerWaalsContact CE2-CD1 3.47Å; Y145-L255 HydrophobicContact CE2-CG 4.35Å; L255-P288 HydrophobicContact CD2-CG 3.97Å
256	L	80.4	Confident	93.4	Very high	15 Å²	15	17.5 Å²	17.5	8%	0.079	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	167.7	168.1	-65.3	173.3	0	0	0	110.7	I142 V252 G254 D260 F261 H271	I142-L256 HydrophobicContact CD1-CD2 3.96Å; V252-L256 HydrophobicContact CG2-CD1 4.05Å; V252-L256 HydrophobicContact CG2-CD2 4.1Å; V252-L256 HydrophobicContact CG2-CG 3.85Å; G254-L256 PolarHBondContact O-N 2.91Å; L256-D260 HydrophobicContact CB-CB 4.25Å; L256-F261 HydrophobicContact CB-CB 4.22Å; L256-H271 HydrophobicContact CD1-CB 4.11Å
257	S	83.9	Confident	93.5	Very high	29 Å²	29	16 Å²	16	20%	0.203	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-60.1	148.7	165	83.8	0	0	0	0	110.7	R259 D260 F261	S257-R259 PolarHBondContact O-N 3.33Å; S257-D260 PolarHBondContact O-N 2.75Å; S257-D260 VanDerWaalsContact O-N 3.09Å; S257-D260 WeakPolarHBondContact OG-CB 3.23Å; S257-D260 PolarHBondContact OG-N 3.34Å; S257-D260 PolarHBondContact OG-OD2 2.72Å; S257-F261 WeakPolarHBondContact O-CB 3.37Å; S257-F261 PolarHBondContact O-N 2.88Å
258	S	87.9	Confident	93.5	Very high	61 Å²	61	18.8 Å²	18.8	43%	0.427	10%	0.096	S	C	.	.	H	α-helix	trans	-55.6	-36.3	176.8	-53.9	0	0	0	0	111.8	L262	S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 WeakPolarHBondContact O-CD1 3.37Å; S258-L262 WeakPolarHBondContact O-CG 3.28Å; S258-L262 PolarHBondContact O-N 2.82Å
259	R	93.2	Very high	93.5	Very high	42 Å²	42	17 Å²	17	16%	0.158	9%	0.09	C	C	.	.	H	α-helix	trans	-61.1	-50	176.8	177.3	177.4	-65.1	-72	0.7	111.3	S257 A263 A320 D322 I325	S257-R259 PolarHBondContact O-N 3.33Å; R259-A263 WeakPolarHBondContact O-CB 3.3Å; R259-A263 PolarHBondContact O-N 3.37Å; R259-A320 VanDerWaalsContact CZ-O 3.27Å; R259-A320 PolarHBondContact NH1-O 3.44Å; R259-A320 PolarHBondContact NH2-O 2.69Å; R259-D322 IonicContact CZ-OD1 3.82Å; R259-D322 IonicContact NE-OD1 3.42Å; R259-D322 IonicContact NH2-OD1 2.92Å; R259-D322 PolarHBondContact NH2-OD1 3.04Å; R259-I325 HydrophobicContact CB-CD1 4.45Å; R259-I325 HydrophobicContact CB-CG1 4.42Å; R259-I325 HydrophobicContact CB-CG2 4.21Å; R259-I325 HydrophobicContact CG-CD1 4.5Å
260	D	86.9	Confident	93.5	Very high	13 Å²	13	17 Å²	17	7%	0.07	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-44.2	-175.4	-68.5	-34.7	0	0	0	111.8	F138 L256 S257 A263 G264	F138-D260 HydrophobicContact CD2-CB 3.44Å; F138-D260 VanDerWaalsContact CD2-CB 3.44Å; F138-D260 HydrophobicContact CE2-CB 3.61Å; F138-D260 WeakPolarHBondContact CE2-O 3.47Å; F138-D260 HydrophobicContact CG-CB 4.15Å; F138-D260 HydrophobicContact CZ-CB 4.42Å; L256-D260 HydrophobicContact CB-CB 4.25Å; S257-D260 PolarHBondContact O-N 2.75Å; S257-D260 VanDerWaalsContact O-N 3.09Å; S257-D260 WeakPolarHBondContact OG-CB 3.23Å; S257-D260 PolarHBondContact OG-N 3.34Å; S257-D260 PolarHBondContact OG-OD2 2.72Å; D260-A263 PolarHBondContact O-N 2.96Å; D260-G264 PolarHBondContact O-N 2.8Å; D260-G264 VanDerWaalsContact O-N 3.17Å
261	F	95.3	Very high	93.5	Very high	39 Å²	39	16.9 Å²	16.9	17%	0.171	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-50.5	177.6	-179.3	-95.6	0	0	0	111.6	L256 S257 A263 G264 L265 F270 H271 Y332	L256-F261 HydrophobicContact CB-CB 4.22Å; S257-F261 WeakPolarHBondContact O-CB 3.37Å; S257-F261 PolarHBondContact O-N 2.88Å; F261-A263 VanDerWaalsContact C-N 3.32Å; F261-A263 PolarHBondContact O-N 2.91Å; F261-G264 PolarHBondContact O-N 2.94Å; F261-G264 VanDerWaalsContact O-N 3.16Å; F261-L265 HydrophobicContact CE1-CD1 4.32Å; F261-F270 HydrophobicContact CE2-CD2 4.38Å; F261-F270 HydrophobicContact CE2-CE2 4.1Å; F261-F270 HydrophobicContact CZ-CD2 4.04Å; F261-F270 AromaticContact CZ-CE2 3.63Å; F261-F270 HydrophobicContact CZ-CE2 3.63Å; F261-F270 HydrophobicContact CZ-CZ 4.48Å; F261-H271 HydrophobicContact CD2-CB 4.02Å; F261-H271 HydrophobicContact CE2-CB 4.13Å; F261-Y332 AromaticContact CE1-CE1 3.89Å; F261-Y332 HydrophobicContact CE1-CE1 3.89Å; F261-Y332 AromaticContact CE1-CE2 3.97Å; F261-Y332 HydrophobicContact CE1-CE2 3.97Å; F261-Y332 AromaticContact CE1-CZ 3.5Å; F261-Y332 VanDerWaalsContact CE1-CZ 3.5Å; F261-Y332 WeakPolarHBondContact CE1-OH 3.48Å; F261-Y332 WeakPolarHBondContact CZ-OH 3.44Å
262	L	98.3	Very high	93.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-65	-36.8	179.2	-65.2	176.3	0	0	0	111.5	S258 G264 L265 I313 G314 L328 Y332	S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 WeakPolarHBondContact O-CD1 3.37Å; S258-L262 WeakPolarHBondContact O-CG 3.28Å; S258-L262 PolarHBondContact O-N 2.82Å; L262-G264 PolarHBondContact O-N 2.62Å; L262-L265 HydrophobicContact CD2-CD1 3.94Å; L262-L265 WeakPolarHBondContact O-CB 3.48Å; L262-L265 PolarHBondContact O-N 3.48Å; L262-L265 VanDerWaalsContact O-N 3.07Å; L262-I313 HydrophobicContact CD2-CG2 3.93Å; L262-G314 WeakPolarHBondContact O-CA 3.31Å; L262-L328 HydrophobicContact CD1-CB 3.92Å; L262-Y332 HydrophobicContact CD2-CD2 3.86Å; L262-Y332 HydrophobicContact CD2-CG 4.1Å
263	A	97.7	Very high	93.5	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.025	9%	0.087	C	C	.	.	H	α-helix	trans	-59.3	-37	175.1	0	0	0	0	0	111.9	P129 F138 R259 D260 F261 L265 A266 F267 S317 L318	P129-A263 HydrophobicContact CG-CB 3.95Å; F138-A263 HydrophobicContact CZ-CB 4.48Å; R259-A263 WeakPolarHBondContact O-CB 3.3Å; R259-A263 PolarHBondContact O-N 3.37Å; D260-A263 PolarHBondContact O-N 2.96Å; F261-A263 VanDerWaalsContact C-N 3.32Å; F261-A263 PolarHBondContact O-N 2.91Å; A263-L265 VanDerWaalsContact C-N 3.3Å; A263-L265 PolarHBondContact O-N 3.15Å; A263-A266 VanDerWaalsContact O-CB 3.25Å; A263-A266 WeakPolarHBondContact O-CB 3.21Å; A263-A266 PolarHBondContact O-N 3.36Å; A263-A266 VanDerWaalsContact O-N 3.17Å; A263-F267 WeakPolarHBondContact O-CD2 3.44Å; A263-S317 PolarHBondContact N-OG 3.19Å; A263-L318 HydrophobicContact CB-CD2 3.83Å
264	G	98.4	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.2	-40.3	173.3	0	0	0	0	0	113.5	D260 F261 L262 A266 F267 V269	D260-G264 PolarHBondContact O-N 2.8Å; D260-G264 VanDerWaalsContact O-N 3.17Å; F261-G264 PolarHBondContact O-N 2.94Å; F261-G264 VanDerWaalsContact O-N 3.16Å; L262-G264 PolarHBondContact O-N 2.62Å; G264-A266 PolarHBondContact O-N 3.48Å; G264-F267 PolarHBondContact O-N 3.16Å; G264-V269 CarbonylContact C-O 3.46Å; G264-V269 PolarHBondContact O-N 3.49Å
265	L	98.8	Very high	94.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-28.2	179.6	-57.2	178.9	0	0	0	112.4	F247 F261 L262 A263 F267 R268 V269 F270 Q311 Y332	F247-L265 HydrophobicContact CE1-CD2 4.44Å; F261-L265 HydrophobicContact CE1-CD1 4.32Å; L262-L265 HydrophobicContact CD2-CD1 3.94Å; L262-L265 WeakPolarHBondContact O-CB 3.48Å; L262-L265 PolarHBondContact O-N 3.48Å; L262-L265 VanDerWaalsContact O-N 3.07Å; A263-L265 VanDerWaalsContact C-N 3.3Å; A263-L265 PolarHBondContact O-N 3.15Å; L265-F267 PolarHBondContact O-N 2.93Å; L265-R268 PolarHBondContact O-N 2.85Å; L265-V269 PolarHBondContact N-O 3.39Å; L265-F270 HydrophobicContact CD2-CD2 4.16Å; L265-Q311 WeakPolarHBondContact O-CA 3.15Å; L265-Y332 HydrophobicContact CD1-CD2 4.01Å; L265-Y332 HydrophobicContact CD1-CE2 3.58Å
266	A	98.6	Very high	95.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-30.1	176.1	0	0	0	0	0	112.2	A263 G264 R268 Q311 L315 L318 I428	A263-A266 VanDerWaalsContact O-CB 3.25Å; A263-A266 WeakPolarHBondContact O-CB 3.21Å; A263-A266 PolarHBondContact O-N 3.36Å; A263-A266 VanDerWaalsContact O-N 3.17Å; G264-A266 PolarHBondContact O-N 3.48Å; A266-R268 VanDerWaalsContact C-N 3.35Å; A266-Q311 PolarHBondContact O-NE2 3.23Å; A266-L315 HydrophobicContact CB-CD2 4.14Å; A266-L315 HydrophobicContact CB-CG 4.32Å; A266-L318 HydrophobicContact CB-CD1 3.81Å; A266-L318 HydrophobicContact CB-CD2 4.07Å; A266-L318 HydrophobicContact CB-CG 4.08Å; A266-I428 HydrophobicContact CB-CD1 4.34Å
267	F	98.8	Very high	96	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7.8	177.6	-63.3	-94.1	0	0	0	113	P129 D131 I132 L135 A263 G264 L265 V269 Y421 I428	P129-F267 HydrophobicContact CB-CE2 4.05Å; P129-F267 HydrophobicContact CB-CZ 4.15Å; P129-F267 HydrophobicContact CG-CE2 3.75Å; P129-F267 HydrophobicContact CG-CZ 4.32Å; P129-F267 WeakPolarHBondContact O-CZ 3.26Å; D131-F267 VanDerWaalsContact C-CE1 3.49Å; I132-F267 HydrophobicContact CB-CD1 3.77Å; I132-F267 HydrophobicContact CB-CE1 4.38Å; I132-F267 HydrophobicContact CB-CG 4.44Å; I132-F267 HydrophobicContact CD1-CB 4.2Å; I132-F267 HydrophobicContact CG1-CB 4.07Å; I132-F267 HydrophobicContact CG1-CD1 4.16Å; I132-F267 HydrophobicContact CG1-CG 4.37Å; L135-F267 HydrophobicContact CD1-CB 4.48Å; L135-F267 HydrophobicContact CD2-CD2 4.25Å; A263-F267 WeakPolarHBondContact O-CD2 3.44Å; G264-F267 PolarHBondContact O-N 3.16Å; L265-F267 PolarHBondContact O-N 2.93Å; F267-V269 HydrophobicContact CB-CG2 3.83Å; F267-V269 PolarHBondContact O-N 3.42Å; F267-Y421 HydrophobicContact CB-CE2 4.41Å; F267-Y421 HydrophobicContact CD1-CD2 4.31Å; F267-Y421 AromaticContact CD1-CE2 3.8Å; F267-Y421 HydrophobicContact CD1-CE2 3.8Å; F267-Y421 HydrophobicContact CE1-CE2 4.49Å; F267-Y421 HydrophobicContact CG-CE2 4.38Å; F267-I428 HydrophobicContact CE1-CD1 4.35Å; F267-I428 HydrophobicContact CE1-CG1 3.86Å; F267-I428 HydrophobicContact CE2-CD1 4.31Å; F267-I428 HydrophobicContact CE2-CG1 3.93Å; F267-I428 HydrophobicContact CZ-CD1 4.06Å; F267-I428 HydrophobicContact CZ-CG1 3.35Å
268	R	98.8	Very high	96.6	Very high	57 Å²	57	13 Å²	13	22%	0.215	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	36	-168.3	-55.6	-169.7	175.6	168	4	111.9	T245 F247 R248 L265 A266 Q311	T245-R268 WeakPolarHBondContact O-CD 3.47Å; T245-R268 PolarHBondContact O-NH1 3.25Å; F247-R268 CarbonylContact C-O 3.5Å; F247-R268 VanDerWaalsContact CA-O 3.24Å; F247-R268 WeakPolarHBondContact CA-O 3.35Å; F247-R268 HydrophobicContact CB-CB 4.41Å; F247-R268 HydrophobicContact CD1-CB 4.16Å; F247-R268 WeakPolarHBondContact CD1-O 3.32Å; F247-R268 HydrophobicContact CD2-CB 3.51Å; F247-R268 HydrophobicContact CD2-CG 3.78Å; F247-R268 HydrophobicContact CE1-CB 4.28Å; F247-R268 HydrophobicContact CE2-CB 3.62Å; F247-R268 HydrophobicContact CE2-CG 3.56Å; F247-R268 HydrophobicContact CG-CB 3.79Å; F247-R268 HydrophobicContact CZ-CB 4.01Å; F247-R268 HydrophobicContact CZ-CG 4.19Å; R248-R268 PolarHBondContact N-O 3.12Å; L265-R268 PolarHBondContact O-N 2.85Å; A266-R268 VanDerWaalsContact C-N 3.35Å; R268-Q311 HydrophobicContact CG-CB 4.37Å; R268-Q311 HydrophobicContact CG-CG 4.28Å; R268-Q311 VanDerWaalsContact CZ-OE1 3.27Å
269	V	98.9	Very high	96.9	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.024	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.8	174.8	-179	0	0	0	0	108.4	I132 L135 R248 R250 G264 L265 F267	I132-V269 HydrophobicContact CD1-CG2 3.72Å; I132-V269 HydrophobicContact CG1-CG2 3.88Å; L135-V269 HydrophobicContact CD1-CB 3.69Å; L135-V269 HydrophobicContact CD1-CG1 3.8Å; L135-V269 HydrophobicContact CD1-CG2 3.58Å; R248-V269 HydrophobicContact CG-CB 4.37Å; R248-V269 HydrophobicContact CG-CG1 4.44Å; R248-V269 HydrophobicContact CG-CG2 3.74Å; R248-V269 WeakPolarHBondContact O-CA 3.32Å; R250-V269 HydrophobicContact CB-CG1 3.74Å; G264-V269 CarbonylContact C-O 3.46Å; G264-V269 PolarHBondContact O-N 3.49Å; L265-V269 PolarHBondContact N-O 3.39Å; F267-V269 HydrophobicContact CB-CG2 3.83Å; F267-V269 PolarHBondContact O-N 3.42Å
270	F	98.8	Very high	96.9	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.7	173.1	-177.5	-105.1	0	0	0	109.7	F247 R248 L249 R250 F261 L265 S272 E293 H297 F301	F247-F270 HydrophobicContact CD1-CB 4.46Å; R248-F270 PolarHBondContact O-N 3.01Å; L249-F270 CarbonylContact C-O 2.99Å; L249-F270 WeakPolarHBondContact CA-O 3.46Å; L249-F270 HydrophobicContact CD2-CB 4.17Å; L249-F270 HydrophobicContact CD2-CD1 3.87Å; R250-F270 PolarHBondContact N-O 2.89Å; F261-F270 HydrophobicContact CE2-CD2 4.38Å; F261-F270 HydrophobicContact CE2-CE2 4.1Å; F261-F270 HydrophobicContact CZ-CD2 4.04Å; F261-F270 AromaticContact CZ-CE2 3.63Å; F261-F270 HydrophobicContact CZ-CE2 3.63Å; F261-F270 HydrophobicContact CZ-CZ 4.48Å; L265-F270 HydrophobicContact CD2-CD2 4.16Å; F270-S272 PolarHBondContact O-N 2.81Å; F270-E293 HydrophobicContact CE1-CB 4.4Å; F270-E293 WeakPolarHBondContact CE1-OE2 3.48Å; F270-E293 WeakPolarHBondContact CZ-OE2 3.28Å; F270-H297 HydrophobicContact CE1-CB 4.15Å; F270-H297 HydrophobicContact CE2-CB 4.38Å; F270-H297 AromaticContact CE2-CG 3.89Å; F270-H297 AromaticContact CE2-ND1 3.89Å; F270-H297 HydrophobicContact CZ-CB 3.9Å; F270-H297 AromaticContact CZ-CD2 3.37Å; F270-H297 WeakPolarHBondContact CZ-CD2 3.36Å; F270-H297 AromaticContact CZ-CG 3.51Å; F270-H297 AromaticContact CZ-ND1 3.97Å; F270-H297 AromaticContact CZ-NE2 3.77Å; F270-F301 HydrophobicContact CB-CD2 4.31Å; F270-F301 HydrophobicContact CB-CE2 3.8Å; F270-F301 HydrophobicContact CB-CZ 4.32Å; F270-F301 AromaticContact CD1-CE2 3.87Å; F270-F301 HydrophobicContact CD1-CE2 3.87Å; F270-F301 HydrophobicContact CD2-CD2 4.42Å; F270-F301 AromaticContact CD2-CE2 3.24Å; F270-F301 HydrophobicContact CD2-CE2 3.24Å; F270-F301 AromaticContact CD2-CZ 3.4Å; F270-F301 HydrophobicContact CD2-CZ 3.4Å; F270-F301 VanDerWaalsContact CD2-CZ 3.4Å; F270-F301 HydrophobicContact CE1-CE2 4.26Å; F270-F301 AromaticContact CE2-CE2 3.65Å; F270-F301 HydrophobicContact CE2-CE2 3.65Å; F270-F301 AromaticContact CE2-CZ 3.83Å; F270-F301 HydrophobicContact CE2-CZ 3.83Å; F270-F301 HydrophobicContact CG-CD2 4.17Å; F270-F301 AromaticContact CG-CE2 3.35Å; F270-F301 HydrophobicContact CG-CE2 3.35Å; F270-F301 AromaticContact CG-CZ 3.95Å; F270-F301 HydrophobicContact CG-CZ 3.95Å; F270-F301 HydrophobicContact CZ-CE2 4.16Å
271	H	98.5	Very high	96.9	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.009	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.9	175	-63.7	92.9	0	0	0	108.2	R250 V252 L256 F261	R250-H271 CarbonylContact O-C 3.58Å; R250-H271 WeakPolarHBondContact O-CA 3.49Å; V252-H271 HydrophobicContact CB-CB 4.02Å; V252-H271 HydrophobicContact CG1-CB 4Å; V252-H271 HydrophobicContact CG2-CB 4.44Å; L256-H271 HydrophobicContact CD1-CB 4.11Å; F261-H271 HydrophobicContact CD2-CB 4.02Å; F261-H271 HydrophobicContact CE2-CB 4.13Å
272	S	98.2	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.7	-171.5	170.3	0	0	0	0	110	R250 P251 V252 F270 E293	R250-S272 PolarHBondContact O-N 2.91Å; P251-S272 WeakPolarHBondContact CA-O 3.41Å; V252-S272 PolarHBondContact N-O 3.48Å; F270-S272 PolarHBondContact O-N 2.81Å; S272-E293 WeakPolarHBondContact OG-CB 3.35Å; S272-E293 WeakPolarHBondContact OG-CG 3.42Å
273	T	97.9	Very high	95.7	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.113	C	C	.	.			trans	-72.4	155.4	173.1	66.4	0	0	0	0	111.1	V252 Y275 P288 E293	V252-T273 HydrophobicContact CG1-CG2 4.07Å; T273-Y275 HydrophobicContact CG2-CD1 4.4Å; T273-Y275 HydrophobicContact CG2-CE1 3.61Å; T273-P288 WeakPolarHBondContact CB-O 3.41Å; T273-P288 VanDerWaalsContact CG2-O 3.32Å; T273-P288 WeakPolarHBondContact CG2-O 3.32Å; T273-P288 PolarHBondContact OG1-O 3.45Å; T273-E293 PolarHBondContact N-OE1 3.16Å
274	Q	98.3	Very high	94.5	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	13%	0.133	C	C	.	.			trans	-108.2	-17.4	175.8	-73.9	-172.7	-81.5	0	0	113.8	F168 I171 P182 Y186 L234 P251	F168-Q274 HydrophobicContact CD1-CB 3.55Å; F168-Q274 HydrophobicContact CE1-CB 3.96Å; F168-Q274 WeakPolarHBondContact CE1-O 3.36Å; F168-Q274 HydrophobicContact CG-CB 4.43Å; I171-Q274 VanDerWaalsContact CG2-OE1 3.25Å; P182-Q274 PolarHBondContact O-NE2 2.76Å; P182-Q274 VanDerWaalsContact O-NE2 3.13Å; Y186-Q274 WeakPolarHBondContact CE1-O 3.37Å; Y186-Q274 PolarHBondContact OH-O 3.2Å; L234-Q274 HydrophobicContact CD1-CG 3.31Å; L234-Q274 HydrophobicContact CG-CG 3.79Å; P251-Q274 HydrophobicContact CB-CG 4.47Å
275	Y	97.5	Very high	93.6	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	14%	0.141	C	C	.	.			trans	-74.7	154.8	-179.6	63.6	-100.9	0	0	0	111.1	R165 T273 E287 D289 V290	R165-Y275 VanDerWaalsContact CD-CB 3.48Å; R165-Y275 VanDerWaalsContact CD-CG 3.4Å; T273-Y275 HydrophobicContact CG2-CD1 4.4Å; T273-Y275 HydrophobicContact CG2-CE1 3.61Å; Y275-E287 HydrophobicContact CE2-CB 4.34Å; Y275-D289 HydrophobicContact CD2-CB 4.13Å; Y275-D289 HydrophobicContact CE2-CB 3.98Å; Y275-V290 WeakPolarHBondContact O-CB 3.45Å; Y275-V290 PolarHBondContact O-N 3.02Å
276	I	97.4	Very high	92.3	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.159	C	C	.	.			trans	-106.8	150.1	173.6	-166.4	165.9	0	0	0	110.5	Y161 E190 T193 W194 I231 V290	Y161-I276 WeakPolarHBondContact CE2-O 3.31Å; Y161-I276 PolarHBondContact OH-O 2.81Å; E190-I276 HydrophobicContact CB-CG2 3.76Å; E190-I276 HydrophobicContact CG-CG2 3.54Å; E190-I276 VanDerWaalsContact O-CD1 3.3Å; E190-I276 WeakPolarHBondContact O-CD1 3.36Å; T193-I276 HydrophobicContact CG2-CD1 4.06Å; T193-I276 HydrophobicContact CG2-CG1 4.24Å; W194-I276 HydrophobicContact CB-CD1 3.75Å; I231-I276 HydrophobicContact CD1-CD1 3.82Å; I276-V290 HydrophobicContact CB-CG1 3.83Å; I276-V290 HydrophobicContact CD1-CG1 4.39Å; I276-V290 HydrophobicContact CG1-CG1 4.05Å
277	R	95.1	Very high	91.6	Very high	11 Å²	11	29.5 Å²	29.5	4%	0.042	16%	0.16	C	C	.	.			trans	-54.3	154.3	173.6	67.5	-169.8	66.7	-178.5	-7.2	112	T193 G279 P282 T285 D289	T193-R277 HydrophobicContact CG2-CG 3.81Å; R277-G279 PolarHBondContact O-N 3.42Å; R277-P282 WeakPolarHBondContact CD-O 3.36Å; R277-P282 PolarHBondContact NH1-O 3.01Å; R277-T285 HydrophobicContact CB-CG2 4.4Å; R277-D289 HydrophobicContact CB-CB 4.26Å; R277-D289 WeakPolarHBondContact CB-OD2 3.47Å; R277-D289 WeakPolarHBondContact CG-OD2 3.36Å; R277-D289 IonicContact CZ-OD1 3.29Å; R277-D289 IonicContact CZ-OD2 3.66Å; R277-D289 PolarHBondContact N-OD2 2.81Å; R277-D289 IonicContact NE-OD1 2.6Å; R277-D289 PolarHBondContact NE-OD1 3.49Å; R277-D289 IonicContact NE-OD2 3.86Å; R277-D289 PolarHBondContact NE-OD2 3.25Å; R277-D289 IonicContact NH2-OD1 2.87Å; R277-D289 PolarHBondContact NH2-OD1 3.37Å; R277-D289 IonicContact NH2-OD2 2.74Å
278	H	95.4	Very high	91.2	Very high	23 Å²	23	30.6 Å²	30.6	11%	0.106	17%	0.167	C	C	.	.			trans	-64.2	133.1	179.8	-170.5	-87.3	0	0	0	112.5	P154 D158 Y161 S280 K281	P154-H278 HydrophobicContact CB-CB 4.29Å; P154-H278 HydrophobicContact CG-CB 4.04Å; D158-H278 IonicContact OD2-NE2 2.87Å; D158-H278 PolarHBondContact OD2-NE2 3.17Å; Y161-H278 HydrophobicContact CD2-CB 4.42Å; Y161-H278 AromaticContact CD2-CD2 3.72Å; Y161-H278 HydrophobicContact CE2-CB 4.02Å; Y161-H278 AromaticContact CG-CD2 3.69Å; Y161-H278 PolarHBondContact OH-N 3.41Å; H278-S280 PolarHBondContact CE1-OG 3.28Å; H278-S280 VanDerWaalsContact CE1-OG 3.29Å; H278-S280 WeakPolarHBondContact ND1-CB 3.43Å; H278-S280 PolarHBondContact ND1-N 3.11Å; H278-S280 PolarHBondContact ND1-OG 2.69Å; H278-S280 PolarHBondContact O-N 3.45Å; H278-S280 VanDerWaalsContact O-N 3.09Å; H278-K281 CarbonylContact O-C 3.51Å; H278-K281 PolarHBondContact O-N 3.27Å
279	G	94.3	Very high	91.1	Very high	28 Å²	28	27.9 Å²	27.9	29%	0.289	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.8	-173.2	0	0	0	0	0	115.6	T193 R277 K281 P282	T193-G279 WeakPolarHBondContact OG1-CA 3.43Å; R277-G279 PolarHBondContact O-N 3.42Å; G279-K281 VanDerWaalsContact C-N 3.28Å; G279-K281 PolarHBondContact O-N 2.97Å; G279-P282 WeakPolarHBondContact O-CD 3.34Å
280	S	92.4	Very high	91	Very high	78 Å²	78	27.7 Å²	27.7	55%	0.545	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.6	175	72.8	0	0	0	0	114.4	H278	H278-S280 PolarHBondContact CE1-OG 3.28Å; H278-S280 VanDerWaalsContact CE1-OG 3.29Å; H278-S280 WeakPolarHBondContact ND1-CB 3.43Å; H278-S280 PolarHBondContact ND1-N 3.11Å; H278-S280 PolarHBondContact ND1-OG 2.69Å; H278-S280 PolarHBondContact O-N 3.45Å; H278-S280 VanDerWaalsContact O-N 3.09Å
281	K	88.7	Confident	91	Very high	104 Å²	104	27.7 Å²	27.7	45%	0.452	16%	0.156	S	C	.	.			trans	-136	64.6	178	-66.3	-170.1	-178.3	178.9	0	110.1	P154 H278 G279 T283 Y284	P154-K281 HydrophobicContact CB-CD 4.12Å; P154-K281 HydrophobicContact CB-CG 4.41Å; P154-K281 HydrophobicContact CG-CD 4.39Å; H278-K281 CarbonylContact O-C 3.51Å; H278-K281 PolarHBondContact O-N 3.27Å; G279-K281 VanDerWaalsContact C-N 3.28Å; G279-K281 PolarHBondContact O-N 2.97Å; K281-T283 PolarHBondContact O-N 3.36Å; K281-T283 VanDerWaalsContact O-N 3.09Å; K281-Y284 PolarHBondContact O-N 3.47Å
282	P	86.7	Confident	91	Very high	22 Å²	22	28.5 Å²	28.5	14%	0.143	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.1	-176.1	28.7	-33.7	0	0	0	111.8	T193 I196 V197 R277 G279	T193-P282 HydrophobicContact CG2-CB 4.06Å; I196-P282 HydrophobicContact CD1-CB 4.48Å; I196-P282 HydrophobicContact CD1-CG 4.42Å; I196-P282 HydrophobicContact CG2-CB 4.29Å; I196-P282 HydrophobicContact CG2-CG 4.39Å; V197-P282 WeakPolarHBondContact CG2-O 3.39Å; R277-P282 WeakPolarHBondContact CD-O 3.36Å; R277-P282 PolarHBondContact NH1-O 3.01Å; G279-P282 WeakPolarHBondContact O-CD 3.34Å
283	T	80.6	Confident	91	Very high	74 Å²	74	28.9 Å²	28.9	45%	0.454	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.4	-173.1	49	0	0	0	0	115	K281 F358	K281-T283 PolarHBondContact O-N 3.36Å; K281-T283 VanDerWaalsContact O-N 3.09Å; T283-F358 VanDerWaalsContact CB-CZ 3.46Å; T283-F358 HydrophobicContact CG2-CE1 3.52Å; T283-F358 HydrophobicContact CG2-CZ 3.74Å; T283-F358 WeakPolarHBondContact O-CE1 3.48Å
284	Y	73.3	Confident	91	Very high	112 Å²	112	28.9 Å²	28.9	44%	0.439	16%	0.161	S	C	.	.			trans	-153.3	135.4	-176.9	170.7	-99.6	0	0	0	110.4	K281	K281-Y284 PolarHBondContact O-N 3.47Å
285	T	79	Confident	91	Very high	29 Å²	29	28.7 Å²	28.7	18%	0.178	16%	0.16	C	C	.	.			trans	-142.3	133.2	170.3	178.2	0	0	0	0	109.1	R277 E287	R277-T285 HydrophobicContact CB-CG2 4.4Å; T285-E287 WeakPolarHBondContact CG2-O 3.23Å; T285-E287 PolarHBondContact OG1-N 3.08Å; T285-E287 VanDerWaalsContact OG1-N 3.1Å; T285-E287 PolarHBondContact OG1-O 2.89Å
286	P	72.3	Confident	91	Very high	58 Å²	58	28.5 Å²	28.5	38%	0.377	16%	0.16	S	C	.	.	S	Bend	trans	-77.4	-14.8	168	32.4	-33	0	0	0	112
287	E	83.5	Confident	91.1	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.019	16%	0.159	C	C	.	.	S	Bend	trans	-98.1	144	179.9	-54.4	-178.8	130.6	0	0	111.1	Y145 H153 R165 Y275 T285 D289	Y145-E287 WeakPolarHBondContact CB-OE1 3.29Å; Y145-E287 HydrophobicContact CD1-CG 3.64Å; Y145-E287 VanDerWaalsContact CD1-OE1 3.28Å; Y145-E287 WeakPolarHBondContact CD1-OE1 3.45Å; Y145-E287 HydrophobicContact CD2-CG 4.31Å; Y145-E287 HydrophobicContact CE1-CG 4.07Å; Y145-E287 HydrophobicContact CG-CG 3.78Å; H153-E287 IonicContact CD2-OE1 3.1Å; H153-E287 IonicContact CD2-OE2 3.45Å; H153-E287 IonicContact NE2-OE1 3.52Å; H153-E287 IonicContact NE2-OE2 3.56Å; H153-E287 PolarHBondContact NE2-OE2 3.04Å; H153-E287 VanDerWaalsContact NE2-OE2 3.1Å; R165-E287 IonicContact CZ-OE1 3.97Å; R165-E287 IonicContact CZ-OE2 2.8Å; R165-E287 IonicContact NH1-OE1 3.74Å; R165-E287 PolarHBondContact NH1-OE1 3.37Å; R165-E287 IonicContact NH1-OE2 2.72Å; R165-E287 PolarHBondContact NH1-OE2 3.39Å; R165-E287 IonicContact NH2-OE1 3.9Å; R165-E287 PolarHBondContact NH2-OE1 3.24Å; R165-E287 IonicContact NH2-OE2 3.68Å; Y275-E287 HydrophobicContact CE2-CB 4.34Å; T285-E287 WeakPolarHBondContact CG2-O 3.23Å; T285-E287 PolarHBondContact OG1-N 3.08Å; T285-E287 VanDerWaalsContact OG1-N 3.1Å; T285-E287 PolarHBondContact OG1-O 2.89Å; E287-D289 VanDerWaalsContact C-N 3.32Å; E287-D289 PolarHBondContact O-N 2.93Å
288	P	90.1	Very high	91.3	Very high	24 Å²	24	28 Å²	28	16%	0.156	16%	0.157	C	C	.	.			trans	-75.1	83.6	173.4	32.1	-34.3	0	0	0	110	L255 T273 H292	L255-P288 HydrophobicContact CD2-CG 3.97Å; T273-P288 WeakPolarHBondContact CB-O 3.41Å; T273-P288 VanDerWaalsContact CG2-O 3.32Å; T273-P288 WeakPolarHBondContact CG2-O 3.32Å; T273-P288 PolarHBondContact OG1-O 3.45Å; P288-H292 VanDerWaalsContact CB-CD2 3.47Å; P288-H292 WeakPolarHBondContact CB-CD2 3.47Å
289	D	96	Very high	91.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.			trans	-77.7	172.5	175.7	81.6	-43.8	0	0	0	112.1	Y275 R277 E287 C291 H292 E293	Y275-D289 HydrophobicContact CD2-CB 4.13Å; Y275-D289 HydrophobicContact CE2-CB 3.98Å; R277-D289 HydrophobicContact CB-CB 4.26Å; R277-D289 WeakPolarHBondContact CB-OD2 3.47Å; R277-D289 WeakPolarHBondContact CG-OD2 3.36Å; R277-D289 IonicContact CZ-OD1 3.29Å; R277-D289 IonicContact CZ-OD2 3.66Å; R277-D289 PolarHBondContact N-OD2 2.81Å; R277-D289 IonicContact NE-OD1 2.6Å; R277-D289 PolarHBondContact NE-OD1 3.49Å; R277-D289 IonicContact NE-OD2 3.86Å; R277-D289 PolarHBondContact NE-OD2 3.25Å; R277-D289 IonicContact NH2-OD1 2.87Å; R277-D289 PolarHBondContact NH2-OD1 3.37Å; R277-D289 IonicContact NH2-OD2 2.74Å; E287-D289 VanDerWaalsContact C-N 3.32Å; E287-D289 PolarHBondContact O-N 2.93Å; D289-C291 PolarHBondContact O-N 2.96Å; D289-C291 WeakPolarHBondContact OD1-CB 3.35Å; D289-C291 PolarHBondContact OD2-SG 3.3Å; D289-C291 VanDerWaalsContact OD2-SG 3.32Å; D289-H292 WeakPolarHBondContact O-CA 3.41Å; D289-H292 VanDerWaalsContact O-CB 3.32Å; D289-H292 WeakPolarHBondContact O-CB 3.39Å; D289-H292 PolarHBondContact O-N 2.78Å; D289-H292 PolarHBondContact OD1-N 2.84Å; D289-E293 WeakPolarHBondContact O-CG 3.24Å; D289-E293 PolarHBondContact O-N 3.18Å; D289-E293 VanDerWaalsContact O-N 3.15Å
290	V	98	Very high	91.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-27.2	-178.5	73	0	0	0	0	113.6	I231 Y275 I276 L294	I231-V290 HydrophobicContact CG2-CG1 4.25Å; I231-V290 HydrophobicContact CG2-CG2 4.25Å; Y275-V290 WeakPolarHBondContact O-CB 3.45Å; Y275-V290 PolarHBondContact O-N 3.02Å; I276-V290 HydrophobicContact CB-CG1 3.83Å; I276-V290 HydrophobicContact CD1-CG1 4.39Å; I276-V290 HydrophobicContact CG1-CG1 4.05Å; V290-L294 HydrophobicContact CG2-CD1 3.56Å; V290-L294 HydrophobicContact CG2-CG 3.79Å; V290-L294 VanDerWaalsContact O-CB 3.24Å; V290-L294 WeakPolarHBondContact O-CB 3.24Å; V290-L294 VanDerWaalsContact O-CG 3.28Å; V290-L294 WeakPolarHBondContact O-CG 3.46Å; V290-L294 PolarHBondContact O-N 3.42Å
291	C	97.9	Very high	92	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-46.1	172.5	-57.5	0	0	0	0	111.7	W194 V197 D289 L295	W194-C291 HydrophobicContact CE3-CB 4.48Å; V197-C291 HydrophobicContact CG1-CB 4.08Å; D289-C291 PolarHBondContact O-N 2.96Å; D289-C291 WeakPolarHBondContact OD1-CB 3.35Å; D289-C291 PolarHBondContact OD2-SG 3.3Å; D289-C291 VanDerWaalsContact OD2-SG 3.32Å; C291-L295 HydrophobicContact CB-CD1 4.45Å; C291-L295 WeakPolarHBondContact O-CB 3.31Å; C291-L295 WeakPolarHBondContact O-CG 3.25Å; C291-L295 PolarHBondContact O-N 3.21Å
292	H	97.7	Very high	92.5	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.093	9%	0.094	C	C	.	.	I	π-helix	trans	-61.1	-47.2	176.5	173.8	83.6	0	0	0	111.7	P288 D289 G296 H297 E337 S356	P288-H292 VanDerWaalsContact CB-CD2 3.47Å; P288-H292 WeakPolarHBondContact CB-CD2 3.47Å; D289-H292 WeakPolarHBondContact O-CA 3.41Å; D289-H292 VanDerWaalsContact O-CB 3.32Å; D289-H292 WeakPolarHBondContact O-CB 3.39Å; D289-H292 PolarHBondContact O-N 2.78Å; D289-H292 PolarHBondContact OD1-N 2.84Å; H292-G296 VanDerWaalsContact O-CA 3.25Å; H292-G296 WeakPolarHBondContact O-CA 3.29Å; H292-G296 PolarHBondContact O-N 3.31Å; H292-H297 AromaticContact CD2-CD2 3.83Å; H292-H297 AromaticContact CD2-NE2 3.83Å; H292-H297 AromaticContact CE1-NE2 3.91Å; H292-H297 AromaticContact NE2-CD2 3.58Å; H292-H297 AromaticContact NE2-NE2 3.13Å; H292-H297 PolarHBondContact NE2-NE2 2.66Å; H292-H297 VanDerWaalsContact NE2-NE2 3.13Å; H292-E337 IonicContact CE1-OE2 2.71Å; H292-E337 PolarHBondContact CE1-OE2 3.16Å; H292-E337 VanDerWaalsContact CE1-OE2 3.29Å; H292-E337 IonicContact NE2-OE2 2.81Å; H292-S356 PolarHBondContact ND1-OG 3.21Å
293	E	98.2	Very high	93	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.037	9%	0.088	C	C	.	.	I	π-helix	trans	-63	-51.8	-178.7	-49.2	-62.1	-163.7	0	0	112	F270 S272 T273 D289 H297 V298	F270-E293 HydrophobicContact CE1-CB 4.4Å; F270-E293 WeakPolarHBondContact CE1-OE2 3.48Å; F270-E293 WeakPolarHBondContact CZ-OE2 3.28Å; S272-E293 WeakPolarHBondContact OG-CB 3.35Å; S272-E293 WeakPolarHBondContact OG-CG 3.42Å; T273-E293 PolarHBondContact N-OE1 3.16Å; D289-E293 WeakPolarHBondContact O-CG 3.24Å; D289-E293 PolarHBondContact O-N 3.18Å; D289-E293 VanDerWaalsContact O-N 3.15Å; E293-H297 WeakPolarHBondContact O-CB 3.24Å; E293-H297 PolarHBondContact O-N 2.99Å; E293-H297 IonicContact OE2-CD2 3.76Å; E293-H297 PolarHBondContact OE2-CD2 2.85Å; E293-V298 WeakPolarHBondContact O-CG2 3.49Å; E293-V298 PolarHBondContact O-N 3.45Å; E293-V298 VanDerWaalsContact O-N 3.13Å
294	L	98.7	Very high	93.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-78.6	-34.9	-171.1	-66	-171.8	0	0	0	113.2	W194 Y226 P232 L234 V237 V290 V298	W194-L294 HydrophobicContact CH2-CB 3.92Å; W194-L294 HydrophobicContact CH2-CD1 4.04Å; W194-L294 HydrophobicContact CZ3-CB 4.1Å; W194-L294 HydrophobicContact CZ3-CD1 4.11Å; Y226-L294 HydrophobicContact CE1-CB 4.31Å; Y226-L294 VanDerWaalsContact CE1-O 3.24Å; Y226-L294 WeakPolarHBondContact CE1-O 3.34Å; Y226-L294 WeakPolarHBondContact OH-CA 3.41Å; Y226-L294 WeakPolarHBondContact OH-CB 3.38Å; Y226-L294 PolarHBondContact OH-O 3.18Å; P232-L294 HydrophobicContact CB-CD1 3.82Å; P232-L294 HydrophobicContact CG-CD1 3.88Å; L234-L294 HydrophobicContact CD2-CD2 3.84Å; V237-L294 HydrophobicContact CG1-CD2 4.35Å; V237-L294 HydrophobicContact CG2-CD2 4.24Å; V290-L294 HydrophobicContact CG2-CD1 3.56Å; V290-L294 HydrophobicContact CG2-CG 3.79Å; V290-L294 VanDerWaalsContact O-CB 3.24Å; V290-L294 WeakPolarHBondContact O-CB 3.24Å; V290-L294 VanDerWaalsContact O-CG 3.28Å; V290-L294 WeakPolarHBondContact O-CG 3.46Å; V290-L294 PolarHBondContact O-N 3.42Å; L294-V298 HydrophobicContact CD2-CG2 3.92Å
295	L	98.4	Very high	95.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-93.7	-30.8	-177.3	-56.6	175.1	0	0	0	112.3	W194 V197 F198 L201 H213 F217 Y226 C291	W194-L295 HydrophobicContact CH2-CD1 4.23Å; W194-L295 HydrophobicContact CH2-CD2 3.62Å; W194-L295 HydrophobicContact CH2-CG 3.79Å; W194-L295 HydrophobicContact CZ2-CD2 4.06Å; W194-L295 HydrophobicContact CZ3-CD1 4.18Å; W194-L295 HydrophobicContact CZ3-CD2 4.34Å; W194-L295 HydrophobicContact CZ3-CG 4.02Å; V197-L295 HydrophobicContact CG1-CD1 3.97Å; F198-L295 HydrophobicContact CD2-CD2 3.83Å; F198-L295 HydrophobicContact CE2-CD2 4.19Å; L201-L295 HydrophobicContact CD1-CD1 3.88Å; H213-L295 PolarHBondContact CE1-O 3.31Å; F217-L295 HydrophobicContact CE2-CD2 4.08Å; F217-L295 HydrophobicContact CZ-CD2 4.34Å; Y226-L295 HydrophobicContact CD1-CD2 4.18Å; Y226-L295 HydrophobicContact CE1-CD2 4.08Å; C291-L295 HydrophobicContact CB-CD1 4.45Å; C291-L295 WeakPolarHBondContact O-CB 3.31Å; C291-L295 WeakPolarHBondContact O-CG 3.25Å; C291-L295 PolarHBondContact O-N 3.21Å
296	G	98.2	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-85.2	-64.3	178.8	0	0	0	0	0	112.6	H292	H292-G296 VanDerWaalsContact O-CA 3.25Å; H292-G296 WeakPolarHBondContact O-CA 3.29Å; H292-G296 PolarHBondContact O-N 3.31Å
297	H	98.8	Very high	97.3	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	6%	0.062	C	C	.	.	I	π-helix	trans	-81.8	-50.5	-168.3	-73.9	-74.5	0	0	0	114.4	F270 H292 E293 P299 L300 F301 Y332 E337 A352	F270-H297 HydrophobicContact CE1-CB 4.15Å; F270-H297 HydrophobicContact CE2-CB 4.38Å; F270-H297 AromaticContact CE2-CG 3.89Å; F270-H297 AromaticContact CE2-ND1 3.89Å; F270-H297 HydrophobicContact CZ-CB 3.9Å; F270-H297 AromaticContact CZ-CD2 3.37Å; F270-H297 WeakPolarHBondContact CZ-CD2 3.36Å; F270-H297 AromaticContact CZ-CG 3.51Å; F270-H297 AromaticContact CZ-ND1 3.97Å; F270-H297 AromaticContact CZ-NE2 3.77Å; H292-H297 AromaticContact CD2-CD2 3.83Å; H292-H297 AromaticContact CD2-NE2 3.83Å; H292-H297 AromaticContact CE1-NE2 3.91Å; H292-H297 AromaticContact NE2-CD2 3.58Å; H292-H297 AromaticContact NE2-NE2 3.13Å; H292-H297 PolarHBondContact NE2-NE2 2.66Å; H292-H297 VanDerWaalsContact NE2-NE2 3.13Å; E293-H297 WeakPolarHBondContact O-CB 3.24Å; E293-H297 PolarHBondContact O-N 2.99Å; E293-H297 IonicContact OE2-CD2 3.76Å; E293-H297 PolarHBondContact OE2-CD2 2.85Å; H297-P299 VanDerWaalsContact C-CD 3.45Å; H297-L300 PolarHBondContact O-N 3.19Å; H297-L300 VanDerWaalsContact O-N 3.1Å; H297-F301 HydrophobicContact CB-CD2 4.07Å; H297-F301 HydrophobicContact CB-CE2 3.63Å; H297-F301 HydrophobicContact CB-CZ 4.43Å; H297-F301 PolarHBondContact O-N 3.35Å; H297-Y332 PolarHBondContact CE1-OH 3.35Å; H297-E337 IonicContact CE1-OE1 2.99Å; H297-E337 PolarHBondContact CE1-OE1 2.9Å; H297-E337 IonicContact NE2-OE1 4Å; H297-E337 PolarHBondContact NE2-OE1 2.99Å; H297-E337 IonicContact NE2-OE2 2.94Å; H297-A352 HydrophobicContact CB-CB 4.38Å; H297-A352 WeakPolarHBondContact CE1-CB 3.4Å; H297-A352 WeakPolarHBondContact ND1-CB 3.33Å; H297-A352 WeakPolarHBondContact NE2-CB 3.34Å
298	V	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-52.2	-45.3	-170	165.8	0	0	0	0	113.8	L220 Y226 V237 L241 L249 E293 L294 L300 F301 A302	L220-V298 HydrophobicContact CD1-CG1 4.09Å; L220-V298 HydrophobicContact CD2-CG1 3.95Å; Y226-V298 WeakPolarHBondContact OH-CG1 3.24Å; V237-V298 HydrophobicContact CG1-CB 4.27Å; V237-V298 HydrophobicContact CG1-CG1 3.42Å; V237-V298 VanDerWaalsContact CG1-CG1 3.42Å; V237-V298 HydrophobicContact CG1-CG2 3.8Å; L241-V298 HydrophobicContact CD1-CG1 4.4Å; L241-V298 HydrophobicContact CD1-CG2 4.43Å; L241-V298 HydrophobicContact CD2-CG1 4.29Å; L241-V298 HydrophobicContact CG-CG1 4.48Å; L249-V298 HydrophobicContact CD1-CG2 4.46Å; L249-V298 HydrophobicContact CD2-CG2 4.42Å; E293-V298 WeakPolarHBondContact O-CG2 3.49Å; E293-V298 PolarHBondContact O-N 3.45Å; E293-V298 VanDerWaalsContact O-N 3.13Å; L294-V298 HydrophobicContact CD2-CG2 3.92Å; V298-L300 PolarHBondContact O-N 3.35Å; V298-L300 VanDerWaalsContact O-N 3.17Å; V298-F301 PolarHBondContact O-N 2.89Å; V298-F301 VanDerWaalsContact O-N 3.15Å; V298-A302 PolarHBondContact O-N 3.26Å
299	P	98.8	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57	-36.6	-177.5	-26.9	35.9	0	0	0	113	H213 V216 F217 L220 H297	H213-P299 WeakPolarHBondContact ND1-CB 3.44Å; V216-P299 HydrophobicContact CG1-CB 4.35Å; V216-P299 WeakPolarHBondContact CG1-O 3.5Å; V216-P299 WeakPolarHBondContact CG2-O 3.45Å; F217-P299 HydrophobicContact CD2-CG 4.43Å; L220-P299 HydrophobicContact CD1-CB 4.18Å; L220-P299 HydrophobicContact CD1-CG 3.79Å; H297-P299 VanDerWaalsContact C-CD 3.45Å
300	L	98.9	Very high	98.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-82.3	-29.6	-179.5	-65.8	-179.2	0	0	0	113.1	E212 H213 H297 V298 A302 D303 F306 Y350 L355 F399	E212-L300 HydrophobicContact CB-CD2 4Å; H213-L300 HydrophobicContact CB-CD2 4.36Å; H297-L300 PolarHBondContact O-N 3.19Å; H297-L300 VanDerWaalsContact O-N 3.1Å; V298-L300 PolarHBondContact O-N 3.35Å; V298-L300 VanDerWaalsContact O-N 3.17Å; L300-A302 PolarHBondContact O-N 2.9Å; L300-D303 WeakPolarHBondContact O-CB 3.45Å; L300-D303 PolarHBondContact O-N 3.44Å; L300-F306 HydrophobicContact CB-CB 4.34Å; L300-F306 HydrophobicContact CB-CD1 3.42Å; L300-F306 VanDerWaalsContact CB-CD1 3.42Å; L300-F306 HydrophobicContact CB-CD2 4.19Å; L300-F306 HydrophobicContact CB-CE1 3.59Å; L300-F306 HydrophobicContact CB-CE2 4.36Å; L300-F306 HydrophobicContact CB-CG 3.71Å; L300-F306 HydrophobicContact CB-CZ 4.05Å; L300-F306 HydrophobicContact CD1-CD2 4.18Å; L300-F306 HydrophobicContact CD1-CE1 4.34Å; L300-F306 HydrophobicContact CD1-CE2 3.9Å; L300-F306 HydrophobicContact CD1-CZ 3.95Å; L300-F306 WeakPolarHBondContact O-CB 3.41Å; L300-F306 WeakPolarHBondContact O-CD1 3.32Å; L300-Y350 HydrophobicContact CD1-CD2 3.98Å; L300-Y350 HydrophobicContact CD1-CG 4.32Å; L300-Y350 WeakPolarHBondContact CD1-O 3.37Å; L300-L355 HydrophobicContact CD1-CD1 4.47Å; L300-F399 HydrophobicContact CD2-CE2 4.47Å; L300-F399 HydrophobicContact CD2-CZ 4.32Å
301	F	98.9	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-19.7	172.2	-69	-43.7	0	0	0	113.4	L241 T245 F247 F270 H297 V298 D303 F306	L241-F301 HydrophobicContact CD1-CB 4.33Å; L241-F301 HydrophobicContact CD2-CB 3.82Å; T245-F301 WeakPolarHBondContact CB-O 3.41Å; T245-F301 VanDerWaalsContact CG2-O 3.29Å; T245-F301 WeakPolarHBondContact CG2-O 3.49Å; T245-F301 PolarHBondContact OG1-O 3.09Å; F247-F301 HydrophobicContact CB-CB 4.3Å; F247-F301 HydrophobicContact CD1-CB 4.12Å; F247-F301 AromaticContact CD1-CD1 3.79Å; F247-F301 HydrophobicContact CD1-CD1 3.79Å; F247-F301 HydrophobicContact CD1-CD2 4.36Å; F247-F301 HydrophobicContact CD1-CE1 4.29Å; F247-F301 AromaticContact CD1-CG 3.85Å; F247-F301 HydrophobicContact CD1-CG 3.85Å; F247-F301 AromaticContact CE1-CD1 3.52Å; F247-F301 HydrophobicContact CE1-CD1 3.52Å; F247-F301 AromaticContact CE1-CE1 3.65Å; F247-F301 HydrophobicContact CE1-CE1 3.65Å; F247-F301 HydrophobicContact CE1-CG 4.06Å; F247-F301 HydrophobicContact CE1-CZ 4.24Å; F247-F301 HydrophobicContact CE2-CD1 4.36Å; F247-F301 HydrophobicContact CG-CB 4.11Å; F247-F301 HydrophobicContact CG-CD1 4.31Å; F247-F301 HydrophobicContact CG-CG 4.32Å; F247-F301 AromaticContact CZ-CD1 3.85Å; F247-F301 HydrophobicContact CZ-CD1 3.85Å; F247-F301 HydrophobicContact CZ-CE1 4.02Å; F270-F301 HydrophobicContact CB-CD2 4.31Å; F270-F301 HydrophobicContact CB-CE2 3.8Å; F270-F301 HydrophobicContact CB-CZ 4.32Å; F270-F301 AromaticContact CD1-CE2 3.87Å; F270-F301 HydrophobicContact CD1-CE2 3.87Å; F270-F301 HydrophobicContact CD2-CD2 4.42Å; F270-F301 AromaticContact CD2-CE2 3.24Å; F270-F301 HydrophobicContact CD2-CE2 3.24Å; F270-F301 AromaticContact CD2-CZ 3.4Å; F270-F301 HydrophobicContact CD2-CZ 3.4Å; F270-F301 VanDerWaalsContact CD2-CZ 3.4Å; F270-F301 HydrophobicContact CE1-CE2 4.26Å; F270-F301 AromaticContact CE2-CE2 3.65Å; F270-F301 HydrophobicContact CE2-CE2 3.65Å; F270-F301 AromaticContact CE2-CZ 3.83Å; F270-F301 HydrophobicContact CE2-CZ 3.83Å; F270-F301 HydrophobicContact CG-CD2 4.17Å; F270-F301 AromaticContact CG-CE2 3.35Å; F270-F301 HydrophobicContact CG-CE2 3.35Å; F270-F301 AromaticContact CG-CZ 3.95Å; F270-F301 HydrophobicContact CG-CZ 3.95Å; F270-F301 HydrophobicContact CZ-CE2 4.16Å; H297-F301 HydrophobicContact CB-CD2 4.07Å; H297-F301 HydrophobicContact CB-CE2 3.63Å; H297-F301 HydrophobicContact CB-CZ 4.43Å; H297-F301 PolarHBondContact O-N 3.35Å; V298-F301 PolarHBondContact O-N 2.89Å; V298-F301 VanDerWaalsContact O-N 3.15Å; F301-D303 VanDerWaalsContact C-N 3.31Å; F301-F306 HydrophobicContact CD1-CD1 4.11Å; F301-F306 HydrophobicContact CD1-CE1 4.02Å; F301-F306 HydrophobicContact CE1-CD1 4.42Å; F301-F306 AromaticContact CE1-CE1 3.92Å; F301-F306 HydrophobicContact CE1-CE1 3.92Å
302	A	98.8	Very high	98.6	Very high	6 Å²	6	17 Å²	17	5%	0.05	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.9	171.3	0	0	0	0	0	113.7	V216 F240 L241 C244 T245 V298 L300	V216-A302 HydrophobicContact CG1-CB 3.64Å; V216-A302 HydrophobicContact CG2-CB 4.04Å; F240-A302 HydrophobicContact CE1-CB 3.86Å; L241-A302 HydrophobicContact CD2-CB 3.87Å; C244-A302 HydrophobicContact CB-CB 4.2Å; T245-A302 VanDerWaalsContact CG2-C 3.49Å; T245-A302 WeakPolarHBondContact CG2-O 3.32Å; V298-A302 PolarHBondContact O-N 3.26Å; L300-A302 PolarHBondContact O-N 2.9Å
303	D	98.8	Very high	98.6	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.032	8%	0.077	C	C	.	.	S	Bend	trans	-87	125.2	172.8	-176.1	-89.9	0	0	0	110.8	E212 R215 L300 F301 R305 F306 A307	E212-D303 HydrophobicContact CB-CB 4.38Å; R215-D303 IonicContact CZ-OD2 3.9Å; R215-D303 IonicContact NH2-OD2 2.93Å; R215-D303 PolarHBondContact NH2-OD2 3.45Å; L300-D303 WeakPolarHBondContact O-CB 3.45Å; L300-D303 PolarHBondContact O-N 3.44Å; F301-D303 VanDerWaalsContact C-N 3.31Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 3.32Å; D303-R305 WeakPolarHBondContact OD1-CA 3.1Å; D303-R305 VanDerWaalsContact OD1-CB 3.27Å; D303-R305 WeakPolarHBondContact OD1-CB 3.4Å; D303-R305 PolarHBondContact OD1-N 2.88Å; D303-F306 HydrophobicContact CB-CB 4.17Å; D303-F306 PolarHBondContact O-N 2.9Å; D303-F306 PolarHBondContact OD1-N 3.3Å; D303-F306 VanDerWaalsContact OD1-N 3.12Å; D303-A307 VanDerWaalsContact O-CB 3.25Å; D303-A307 WeakPolarHBondContact O-CB 3.42Å; D303-A307 PolarHBondContact O-N 2.68Å
304	P	98.4	Very high	98.7	Very high	65 Å²	65	15.7 Å²	15.7	42%	0.422	8%	0.075	S	C	.	.	H	α-helix	trans	-59.4	-32.1	-176.9	-26.9	34.8	0	0	0	114.6	T245 Q308	T245-P304 HydrophobicContact CG2-CG 4.29Å; P304-Q308 VanDerWaalsContact O-CG 3.24Å; P304-Q308 WeakPolarHBondContact O-CG 3.11Å; P304-Q308 PolarHBondContact O-N 3.07Å; P304-Q308 VanDerWaalsContact O-N 3.15Å
305	R	98.3	Very high	98.7	Very high	123 Å²	123	16.8 Å²	16.8	46%	0.464	8%	0.081	S	C	.	.	H	α-helix	trans	-78.3	-44.1	-175.2	-53.3	165.4	169.1	-139	2.6	109.6	D303 Q308 F309 F399 E400	D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 3.32Å; D303-R305 WeakPolarHBondContact OD1-CA 3.1Å; D303-R305 VanDerWaalsContact OD1-CB 3.27Å; D303-R305 WeakPolarHBondContact OD1-CB 3.4Å; D303-R305 PolarHBondContact OD1-N 2.88Å; R305-Q308 PolarHBondContact O-N 2.66Å; R305-F309 WeakPolarHBondContact O-CB 3.25Å; R305-F309 PolarHBondContact O-N 2.99Å; R305-F399 HydrophobicContact CB-CB 3.95Å; R305-F399 HydrophobicContact CB-CD2 4.31Å; R305-E400 WeakPolarHBondContact CD-OE1 3.49Å; R305-E400 WeakPolarHBondContact CG-OE1 3.38Å; R305-E400 IonicContact CZ-OE1 3.88Å; R305-E400 IonicContact CZ-OE2 3.85Å; R305-E400 IonicContact NE-OE1 3.02Å; R305-E400 PolarHBondContact NE-OE1 3.33Å; R305-E400 IonicContact NH1-OE1 3.15Å; R305-E400 PolarHBondContact NH1-OE1 3.47Å; R305-E400 IonicContact NH1-OE2 3.28Å; R305-E400 PolarHBondContact NH1-OE2 3.08Å; R305-E400 VanDerWaalsContact NH1-OE2 3.15Å; R305-E400 IonicContact NH2-OE1 2.69Å
306	F	98.8	Very high	98.6	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-66	-42.3	174.1	-170	-93.4	0	0	0	112.1	L300 F301 D303 Q308 F309 S310 V336 Y350 F399	L300-F306 HydrophobicContact CB-CB 4.34Å; L300-F306 HydrophobicContact CB-CD1 3.42Å; L300-F306 VanDerWaalsContact CB-CD1 3.42Å; L300-F306 HydrophobicContact CB-CD2 4.19Å; L300-F306 HydrophobicContact CB-CE1 3.59Å; L300-F306 HydrophobicContact CB-CE2 4.36Å; L300-F306 HydrophobicContact CB-CG 3.71Å; L300-F306 HydrophobicContact CB-CZ 4.05Å; L300-F306 HydrophobicContact CD1-CD2 4.18Å; L300-F306 HydrophobicContact CD1-CE1 4.34Å; L300-F306 HydrophobicContact CD1-CE2 3.9Å; L300-F306 HydrophobicContact CD1-CZ 3.95Å; L300-F306 WeakPolarHBondContact O-CB 3.41Å; L300-F306 WeakPolarHBondContact O-CD1 3.32Å; F301-F306 HydrophobicContact CD1-CD1 4.11Å; F301-F306 HydrophobicContact CD1-CE1 4.02Å; F301-F306 HydrophobicContact CE1-CD1 4.42Å; F301-F306 AromaticContact CE1-CE1 3.92Å; F301-F306 HydrophobicContact CE1-CE1 3.92Å; D303-F306 HydrophobicContact CB-CB 4.17Å; D303-F306 PolarHBondContact O-N 2.9Å; D303-F306 PolarHBondContact OD1-N 3.3Å; D303-F306 VanDerWaalsContact OD1-N 3.12Å; F306-Q308 VanDerWaalsContact C-N 3.31Å; F306-Q308 PolarHBondContact O-N 2.77Å; F306-F309 HydrophobicContact CD2-CD1 4.05Å; F306-F309 AromaticContact CE2-CD1 3.99Å; F306-F309 HydrophobicContact CE2-CD1 3.99Å; F306-F309 HydrophobicContact CE2-CE1 4.25Å; F306-F309 WeakPolarHBondContact O-CA 3.5Å; F306-F309 WeakPolarHBondContact O-CB 3.38Å; F306-F309 PolarHBondContact O-N 3.18Å; F306-F309 VanDerWaalsContact O-N 3.07Å; F306-S310 VanDerWaalsContact CE1-OG 3.25Å; F306-S310 WeakPolarHBondContact CE1-OG 3.22Å; F306-S310 PolarHBondContact O-N 3.19Å; F306-S310 PolarHBondContact O-OG 3.37Å; F306-V336 HydrophobicContact CZ-CB 4.36Å; F306-V336 HydrophobicContact CZ-CG1 4.04Å; F306-V336 HydrophobicContact CZ-CG2 4.06Å; F306-Y350 HydrophobicContact CD2-CD2 4.33Å; F306-Y350 AromaticContact CE2-CD2 3.55Å; F306-Y350 HydrophobicContact CE2-CD2 3.55Å; F306-Y350 AromaticContact CE2-CE2 3.65Å; F306-Y350 HydrophobicContact CE2-CE2 3.65Å; F306-Y350 HydrophobicContact CZ-CD2 4.33Å; F306-Y350 HydrophobicContact CZ-CE2 4.47Å; F306-F399 HydrophobicContact CB-CD2 3.9Å; F306-F399 HydrophobicContact CB-CE2 4.05Å; F306-F399 HydrophobicContact CB-CG 4.29Å; F306-F399 AromaticContact CD2-CD1 3.8Å; F306-F399 HydrophobicContact CD2-CD1 3.8Å; F306-F399 HydrophobicContact CD2-CD2 4.28Å; F306-F399 AromaticContact CD2-CE1 3.63Å; F306-F399 HydrophobicContact CD2-CE1 3.63Å; F306-F399 HydrophobicContact CD2-CE2 4.1Å; F306-F399 HydrophobicContact CD2-CG 4.14Å; F306-F399 AromaticContact CD2-CZ 3.78Å; F306-F399 HydrophobicContact CD2-CZ 3.78Å; F306-F399 HydrophobicContact CE2-CE1 4.16Å
307	A	98.8	Very high	98.6	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-56.6	-43.5	174.7	0	0	0	0	0	112.3	T245 F247 D303 Q311	T245-A307 HydrophobicContact CG2-CB 3.89Å; F247-A307 HydrophobicContact CD2-CB 3.68Å; F247-A307 HydrophobicContact CE2-CB 3.63Å; F247-A307 WeakPolarHBondContact CE2-O 3.2Å; D303-A307 VanDerWaalsContact O-CB 3.25Å; D303-A307 WeakPolarHBondContact O-CB 3.42Å; D303-A307 PolarHBondContact O-N 2.68Å; A307-Q311 VanDerWaalsContact O-CB 3.31Å; A307-Q311 WeakPolarHBondContact O-CB 3.47Å; A307-Q311 PolarHBondContact O-N 3.29Å
308	Q	98.6	Very high	98.5	Very high	77 Å²	77	16.8 Å²	16.8	36%	0.36	8%	0.081	S	C	.	.	H	α-helix	trans	-64.8	-42.2	174.1	-73.2	173.4	15.4	0	0	112.2	P304 R305 F306 Q311 E312 K403	P304-Q308 VanDerWaalsContact O-CG 3.24Å; P304-Q308 WeakPolarHBondContact O-CG 3.11Å; P304-Q308 PolarHBondContact O-N 3.07Å; P304-Q308 VanDerWaalsContact O-N 3.15Å; R305-Q308 PolarHBondContact O-N 2.66Å; F306-Q308 VanDerWaalsContact C-N 3.31Å; F306-Q308 PolarHBondContact O-N 2.77Å; Q308-Q311 PolarHBondContact O-N 2.99Å; Q308-E312 WeakPolarHBondContact O-CB 3.42Å; Q308-E312 PolarHBondContact O-N 3.17Å; Q308-K403 HydrophobicContact CB-CD 3.93Å
309	F	98.8	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-50.6	176.7	165.5	-116.2	0	0	0	111.9	R305 F306 Q311 E312 I313 T335 V336 A402 K403 V406	R305-F309 WeakPolarHBondContact O-CB 3.25Å; R305-F309 PolarHBondContact O-N 2.99Å; F306-F309 HydrophobicContact CD2-CD1 4.05Å; F306-F309 AromaticContact CE2-CD1 3.99Å; F306-F309 HydrophobicContact CE2-CD1 3.99Å; F306-F309 HydrophobicContact CE2-CE1 4.25Å; F306-F309 WeakPolarHBondContact O-CA 3.5Å; F306-F309 WeakPolarHBondContact O-CB 3.38Å; F306-F309 PolarHBondContact O-N 3.18Å; F306-F309 VanDerWaalsContact O-N 3.07Å; F309-Q311 VanDerWaalsContact C-N 3.32Å; F309-Q311 PolarHBondContact O-N 3.33Å; F309-E312 WeakPolarHBondContact O-CB 3.47Å; F309-E312 PolarHBondContact O-N 3Å; F309-E312 VanDerWaalsContact O-N 3.16Å; F309-I313 HydrophobicContact CE1-CD1 4.11Å; F309-I313 HydrophobicContact CE2-CD1 4.03Å; F309-I313 HydrophobicContact CE2-CG1 4.33Å; F309-I313 HydrophobicContact CZ-CD1 3.7Å; F309-I313 HydrophobicContact CZ-CG1 4.49Å; F309-I313 PolarHBondContact O-N 3.34Å; F309-T335 HydrophobicContact CZ-CG2 3.91Å; F309-V336 HydrophobicContact CE1-CG2 3.97Å; F309-A402 HydrophobicContact CD2-CB 3.87Å; F309-A402 HydrophobicContact CE2-CB 3.65Å; F309-A402 HydrophobicContact CZ-CB 4.14Å; F309-K403 HydrophobicContact CB-CB 4.2Å; F309-K403 HydrophobicContact CD2-CB 4.25Å; F309-V406 HydrophobicContact CE2-CG2 3.76Å
310	S	98.8	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-38.3	177.6	-54.8	0	0	0	0	112.3	F306 E312 I313 G314	F306-S310 VanDerWaalsContact CE1-OG 3.25Å; F306-S310 WeakPolarHBondContact CE1-OG 3.22Å; F306-S310 PolarHBondContact O-N 3.19Å; F306-S310 PolarHBondContact O-OG 3.37Å; S310-E312 VanDerWaalsContact C-N 3.32Å; S310-E312 PolarHBondContact O-N 2.66Å; S310-I313 PolarHBondContact O-N 3.23Å; S310-G314 PolarHBondContact O-N 3.31Å; S310-G314 VanDerWaalsContact O-N 3.15Å
311	Q	98.8	Very high	97.3	Very high	15 Å²	15	18.7 Å²	18.7	7%	0.07	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-36.9	174.6	-176.3	175.5	31.9	0	0	112.3	L265 A266 R268 A307 Q308 F309 I313 G314 L315	L265-Q311 WeakPolarHBondContact O-CA 3.15Å; A266-Q311 PolarHBondContact O-NE2 3.23Å; R268-Q311 HydrophobicContact CG-CB 4.37Å; R268-Q311 HydrophobicContact CG-CG 4.28Å; R268-Q311 VanDerWaalsContact CZ-OE1 3.27Å; A307-Q311 VanDerWaalsContact O-CB 3.31Å; A307-Q311 WeakPolarHBondContact O-CB 3.47Å; A307-Q311 PolarHBondContact O-N 3.29Å; Q308-Q311 PolarHBondContact O-N 2.99Å; F309-Q311 VanDerWaalsContact C-N 3.32Å; F309-Q311 PolarHBondContact O-N 3.33Å; Q311-I313 VanDerWaalsContact C-N 3.34Å; Q311-I313 PolarHBondContact O-N 2.98Å; Q311-G314 WeakPolarHBondContact O-CA 3.39Å; Q311-G314 PolarHBondContact O-N 3.13Å; Q311-G314 VanDerWaalsContact O-N 3.12Å; Q311-L315 HydrophobicContact CG-CD1 4.19Å; Q311-L315 HydrophobicContact CG-CG 4.38Å; Q311-L315 WeakPolarHBondContact O-CG 3.4Å; Q311-L315 PolarHBondContact O-N 3.15Å
312	E	98.6	Very high	96.6	Very high	31 Å²	31	21.7 Å²	21.7	15%	0.145	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-39.9	177.4	-163.5	78.8	-153.7	0	0	111.4	Q308 F309 S310 G314 L315 A316 K403 V406 R407	Q308-E312 WeakPolarHBondContact O-CB 3.42Å; Q308-E312 PolarHBondContact O-N 3.17Å; F309-E312 WeakPolarHBondContact O-CB 3.47Å; F309-E312 PolarHBondContact O-N 3Å; F309-E312 VanDerWaalsContact O-N 3.16Å; S310-E312 VanDerWaalsContact C-N 3.32Å; S310-E312 PolarHBondContact O-N 2.66Å; E312-G314 VanDerWaalsContact C-N 3.3Å; E312-G314 PolarHBondContact O-N 3.34Å; E312-L315 PolarHBondContact O-N 3.32Å; E312-A316 WeakPolarHBondContact O-CB 3.44Å; E312-A316 PolarHBondContact O-N 2.86Å; E312-K403 HydrophobicContact CB-CG 4.08Å; E312-K403 HydrophobicContact CG-CG 4.18Å; E312-V406 HydrophobicContact CB-CG1 4.42Å; E312-V406 HydrophobicContact CG-CG1 4.08Å; E312-R407 HydrophobicContact CG-CB 4.21Å; E312-R407 WeakPolarHBondContact OE1-CB 3.46Å; E312-R407 WeakPolarHBondContact OE1-CG 3.44Å; E312-R407 IonicContact OE1-CZ 3.27Å; E312-R407 IonicContact OE1-NE 3.18Å; E312-R407 PolarHBondContact OE1-NE 2.87Å; E312-R407 IonicContact OE1-NH2 3.23Å; E312-R407 IonicContact OE2-CZ 3.42Å; E312-R407 IonicContact OE2-NE 2.75Å; E312-R407 PolarHBondContact OE2-NE 3.15Å; E312-R407 IonicContact OE2-NH2 3.32Å; E312-R407 PolarHBondContact OE2-NH2 3.41Å
313	I	98.7	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.2	-45.4	171.3	-61.2	173	0	0	0	110	L262 F309 S310 Q311 A316 S317 Y332 V336 V406	L262-I313 HydrophobicContact CD2-CG2 3.93Å; F309-I313 HydrophobicContact CE1-CD1 4.11Å; F309-I313 HydrophobicContact CE2-CD1 4.03Å; F309-I313 HydrophobicContact CE2-CG1 4.33Å; F309-I313 HydrophobicContact CZ-CD1 3.7Å; F309-I313 HydrophobicContact CZ-CG1 4.49Å; F309-I313 PolarHBondContact O-N 3.34Å; S310-I313 PolarHBondContact O-N 3.23Å; Q311-I313 VanDerWaalsContact C-N 3.34Å; Q311-I313 PolarHBondContact O-N 2.98Å; I313-A316 WeakPolarHBondContact O-CB 3.5Å; I313-A316 PolarHBondContact O-N 3.15Å; I313-S317 PolarHBondContact O-N 2.83Å; I313-Y332 HydrophobicContact CD1-CD2 4.41Å; I313-V336 HydrophobicContact CD1-CG2 4Å; I313-V406 HydrophobicContact CG1-CG1 4.01Å; I313-V406 HydrophobicContact CG1-CG2 4.29Å
314	G	98.6	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-45.8	177.8	0	0	0	0	0	113.1	L262 S310 Q311 E312 A316 S317	L262-G314 WeakPolarHBondContact O-CA 3.31Å; S310-G314 PolarHBondContact O-N 3.31Å; S310-G314 VanDerWaalsContact O-N 3.15Å; Q311-G314 WeakPolarHBondContact O-CA 3.39Å; Q311-G314 PolarHBondContact O-N 3.13Å; Q311-G314 VanDerWaalsContact O-N 3.12Å; E312-G314 VanDerWaalsContact C-N 3.3Å; E312-G314 PolarHBondContact O-N 3.34Å; G314-A316 VanDerWaalsContact C-N 3.29Å; G314-A316 PolarHBondContact O-N 2.98Å; G314-S317 WeakPolarHBondContact O-CB 3.48Å; G314-S317 PolarHBondContact O-N 3.42Å; G314-S317 PolarHBondContact O-OG 2.85Å
315	L	98.5	Very high	96.1	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.12	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-34.4	176.7	-72.9	169.5	0	0	0	112.8	A266 Q311 E312 S317 L318 R415 V419 I428	A266-L315 HydrophobicContact CB-CD2 4.14Å; A266-L315 HydrophobicContact CB-CG 4.32Å; Q311-L315 HydrophobicContact CG-CD1 4.19Å; Q311-L315 HydrophobicContact CG-CG 4.38Å; Q311-L315 WeakPolarHBondContact O-CG 3.4Å; Q311-L315 PolarHBondContact O-N 3.15Å; E312-L315 PolarHBondContact O-N 3.32Å; L315-S317 PolarHBondContact O-N 3.21Å; L315-L318 HydrophobicContact CD2-CD1 4.21Å; L315-L318 PolarHBondContact O-N 3.07Å; L315-R415 PolarHBondContact O-NH1 2.92Å; L315-V419 HydrophobicContact CB-CG2 4.39Å; L315-V419 HydrophobicContact CD2-CG2 4.14Å; L315-V419 WeakPolarHBondContact O-CG2 3.47Å; L315-I428 HydrophobicContact CD2-CD1 3.91Å
316	A	98.2	Very high	95.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-29.3	174.5	0	0	0	0	0	112.2	E312 I313 G314 L328 A410 I413	E312-A316 WeakPolarHBondContact O-CB 3.44Å; E312-A316 PolarHBondContact O-N 2.86Å; I313-A316 WeakPolarHBondContact O-CB 3.5Å; I313-A316 PolarHBondContact O-N 3.15Å; G314-A316 VanDerWaalsContact C-N 3.29Å; G314-A316 PolarHBondContact O-N 2.98Å; A316-L328 HydrophobicContact CB-CD1 4.01Å; A316-L328 HydrophobicContact CB-CD2 3.8Å; A316-A410 HydrophobicContact CB-CB 3.72Å; A316-I413 HydrophobicContact CB-CD1 4.05Å; A316-I413 WeakPolarHBondContact O-CD1 3.39Å
317	S	98.1	Very high	95.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-75.1	-25.2	-179.5	79.4	0	0	0	0	114.3	A263 I313 G314 L315 G319 A320	A263-S317 PolarHBondContact N-OG 3.19Å; I313-S317 PolarHBondContact O-N 2.83Å; G314-S317 WeakPolarHBondContact O-CB 3.48Å; G314-S317 PolarHBondContact O-N 3.42Å; G314-S317 PolarHBondContact O-OG 2.85Å; L315-S317 PolarHBondContact O-N 3.21Å; S317-G319 PolarHBondContact O-N 3.23Å; S317-A320 WeakPolarHBondContact O-CB 3.48Å; S317-A320 PolarHBondContact O-N 2.84Å; S317-A320 VanDerWaalsContact O-N 3.1Å
318	L	96.1	Very high	95.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	117.9	-174.3	-55.6	-175.7	0	0	0	111.3	F128 A263 A266 L315 A320 R415 V419 I428	F128-L318 HydrophobicContact CB-CB 4.26Å; F128-L318 HydrophobicContact CB-CD2 3.99Å; F128-L318 HydrophobicContact CD2-CB 3.83Å; F128-L318 HydrophobicContact CD2-CD1 4.16Å; F128-L318 HydrophobicContact CD2-CD2 4.17Å; F128-L318 HydrophobicContact CD2-CG 4.28Å; F128-L318 HydrophobicContact CE2-CB 4.32Å; F128-L318 HydrophobicContact CG-CB 3.96Å; F128-L318 HydrophobicContact CG-CD2 4.39Å; A263-L318 HydrophobicContact CB-CD2 3.83Å; A266-L318 HydrophobicContact CB-CD1 3.81Å; A266-L318 HydrophobicContact CB-CD2 4.07Å; A266-L318 HydrophobicContact CB-CG 4.08Å; L315-L318 HydrophobicContact CD2-CD1 4.21Å; L315-L318 PolarHBondContact O-N 3.07Å; L318-A320 PolarHBondContact O-N 2.71Å; L318-R415 PolarHBondContact O-NH1 2.93Å; L318-V419 HydrophobicContact CB-CG1 4.47Å; L318-V419 HydrophobicContact CB-CG2 4.41Å; L318-V419 HydrophobicContact CD1-CG2 4.31Å; L318-I428 HydrophobicContact CD1-CB 4.39Å; L318-I428 HydrophobicContact CD1-CD1 3.51Å; L318-I428 HydrophobicContact CD1-CG1 3.66Å; L318-I428 HydrophobicContact CD1-CG2 3.9Å
319	G	89.4	Confident	95.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	9	-176.8	0	0	0	0	0	114.7	S317	S317-G319 PolarHBondContact O-N 3.23Å
320	A	93.1	Very high	95.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.			trans	-72.5	144.1	178	0	0	0	0	0	111.2	R259 S317 L318 I325 I413	R259-A320 VanDerWaalsContact CZ-O 3.27Å; R259-A320 PolarHBondContact NH1-O 3.44Å; R259-A320 PolarHBondContact NH2-O 2.69Å; S317-A320 WeakPolarHBondContact O-CB 3.48Å; S317-A320 PolarHBondContact O-N 2.84Å; S317-A320 VanDerWaalsContact O-N 3.1Å; L318-A320 PolarHBondContact O-N 2.71Å; A320-I325 HydrophobicContact CB-CD1 3.97Å; A320-I325 HydrophobicContact CB-CG1 4.45Å; A320-I413 HydrophobicContact CB-CG2 3.72Å
321	P	88.9	Confident	95.6	Very high	40 Å²	40	26.1 Å²	26.1	26%	0.26	13%	0.131	S	C	.	.			trans	-62.1	157	170.6	-16.9	27.5	0	0	0	112.2	E323 Y324 I325 P414	P321-E323 VanDerWaalsContact C-N 3.3Å; P321-E323 PolarHBondContact O-N 3.32Å; P321-Y324 HydrophobicContact CB-CD2 4.42Å; P321-Y324 HydrophobicContact CG-CD2 4.15Å; P321-Y324 CarbonylContact O-C 3.51Å; P321-Y324 WeakPolarHBondContact O-CA 3.39Å; P321-Y324 WeakPolarHBondContact O-CB 3.27Å; P321-Y324 PolarHBondContact O-N 3.29Å; P321-I325 PolarHBondContact O-N 3.2Å; P321-P414 HydrophobicContact CG-CG 3.85Å
322	D	84.3	Confident	95.6	Very high	63 Å²	63	26.1 Å²	26.1	34%	0.337	13%	0.13	S	C	.	.	H	α-helix	trans	-55.5	-41.2	-178.1	-71.7	0	0	0	0	113.4	K120 R259 Y324 I325 E326	K120-D322 WeakPolarHBondContact CE-OD2 3.41Å; K120-D322 IonicContact NZ-OD2 3.9Å; K120-D322 PolarHBondContact NZ-OD2 2.75Å; R259-D322 IonicContact CZ-OD1 3.82Å; R259-D322 IonicContact NE-OD1 3.42Å; R259-D322 IonicContact NH2-OD1 2.92Å; R259-D322 PolarHBondContact NH2-OD1 3.04Å; D322-Y324 PolarHBondContact O-N 2.78Å; D322-I325 WeakPolarHBondContact O-CA 3.4Å; D322-I325 WeakPolarHBondContact O-CB 3.5Å; D322-I325 PolarHBondContact O-N 3.45Å; D322-E326 PolarHBondContact O-N 3.49Å
323	E	91.9	Very high	95.6	Very high	113 Å²	113	26.7 Å²	26.7	53%	0.528	13%	0.131	S	C	.	.	H	α-helix	trans	-56.4	-37.2	175.7	-171.6	-163.4	149.6	0	0	111.5	P321 K327	P321-E323 VanDerWaalsContact C-N 3.3Å; P321-E323 PolarHBondContact O-N 3.32Å; E323-K327 VanDerWaalsContact O-CG 3.32Å; E323-K327 WeakPolarHBondContact O-CG 3.28Å; E323-K327 PolarHBondContact O-N 2.85Å; E323-K327 WeakPolarHBondContact OE1-CE 3.18Å; E323-K327 IonicContact OE1-NZ 3.81Å; E323-K327 PolarHBondContact OE1-NZ 3.27Å
324	Y	96.1	Very high	95.6	Very high	40 Å²	40	26.8 Å²	26.8	16%	0.157	13%	0.131	C	C	.	.	H	α-helix	trans	-79.9	-27	176.6	-78.5	-90.3	0	0	0	112.7	P321 D322 K327 L328 F409 T412 I413 P414	P321-Y324 HydrophobicContact CB-CD2 4.42Å; P321-Y324 HydrophobicContact CG-CD2 4.15Å; P321-Y324 CarbonylContact O-C 3.51Å; P321-Y324 WeakPolarHBondContact O-CA 3.39Å; P321-Y324 WeakPolarHBondContact O-CB 3.27Å; P321-Y324 PolarHBondContact O-N 3.29Å; D322-Y324 PolarHBondContact O-N 2.78Å; Y324-K327 HydrophobicContact CD1-CD 4.08Å; Y324-K327 HydrophobicContact CE1-CD 4.32Å; Y324-K327 HydrophobicContact CG-CD 4.49Å; Y324-K327 PolarHBondContact O-N 2.93Å; Y324-L328 WeakPolarHBondContact O-CB 3.28Å; Y324-L328 VanDerWaalsContact O-CG 3.23Å; Y324-L328 WeakPolarHBondContact O-CG 2.96Å; Y324-L328 PolarHBondContact O-N 3.18Å; Y324-F409 HydrophobicContact CD1-CZ 4.23Å; Y324-F409 HydrophobicContact CE1-CZ 4.45Å; Y324-T412 PolarHBondContact OH-O 3.23Å; Y324-I413 HydrophobicContact CD1-CB 4.22Å; Y324-I413 HydrophobicContact CD1-CD1 4.45Å; Y324-I413 HydrophobicContact CD1-CG1 3.62Å; Y324-I413 HydrophobicContact CD1-CG2 4.3Å; Y324-I413 HydrophobicContact CE1-CB 4.49Å; Y324-I413 HydrophobicContact CE1-CG1 4.06Å; Y324-I413 HydrophobicContact CG-CG1 4.25Å; Y324-I413 HydrophobicContact CG-CG2 4.12Å; Y324-P414 HydrophobicContact CD2-CG 4.29Å; Y324-P414 HydrophobicContact CE2-CG 3.81Å
325	I	95.9	Very high	95.6	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.051	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-42.2	169.1	-64.1	-60.6	0	0	0	110.6	R259 A320 P321 D322 L328 A329	R259-I325 HydrophobicContact CB-CD1 4.45Å; R259-I325 HydrophobicContact CB-CG1 4.42Å; R259-I325 HydrophobicContact CB-CG2 4.21Å; R259-I325 HydrophobicContact CG-CD1 4.5Å; A320-I325 HydrophobicContact CB-CD1 3.97Å; A320-I325 HydrophobicContact CB-CG1 4.45Å; P321-I325 PolarHBondContact O-N 3.2Å; D322-I325 WeakPolarHBondContact O-CA 3.4Å; D322-I325 WeakPolarHBondContact O-CB 3.5Å; D322-I325 PolarHBondContact O-N 3.45Å; I325-L328 PolarHBondContact O-N 3.1Å; I325-A329 WeakPolarHBondContact O-CB 3.24Å; I325-A329 PolarHBondContact O-N 3.33Å
326	E	92.7	Very high	95.6	Very high	135 Å²	135	25.7 Å²	25.7	63%	0.631	13%	0.126	S	C	*	.	H	α-helix	trans	-62.7	-42.2	175.4	-69.3	176.8	-172	0	0	111.9	D322 A329 T330	D322-E326 PolarHBondContact O-N 3.49Å; E326-A329 PolarHBondContact O-N 2.86Å; E326-T330 PolarHBondContact O-N 2.8Å; E326-T330 PolarHBondContact O-OG1 3.44Å
327	K	98.2	Very high	95.6	Very high	42 Å²	42	26.9 Å²	26.9	18%	0.183	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-46.2	173.7	-70	171.6	-175.5	170.7	0	111.6	E323 Y324 A329 T330 V331 I380 F409	E323-K327 VanDerWaalsContact O-CG 3.32Å; E323-K327 WeakPolarHBondContact O-CG 3.28Å; E323-K327 PolarHBondContact O-N 2.85Å; E323-K327 WeakPolarHBondContact OE1-CE 3.18Å; E323-K327 IonicContact OE1-NZ 3.81Å; E323-K327 PolarHBondContact OE1-NZ 3.27Å; Y324-K327 HydrophobicContact CD1-CD 4.08Å; Y324-K327 HydrophobicContact CE1-CD 4.32Å; Y324-K327 HydrophobicContact CG-CD 4.49Å; Y324-K327 PolarHBondContact O-N 2.93Å; K327-A329 VanDerWaalsContact C-N 3.34Å; K327-A329 PolarHBondContact O-N 3.39Å; K327-T330 WeakPolarHBondContact O-CB 3.46Å; K327-T330 PolarHBondContact O-N 3.19Å; K327-T330 VanDerWaalsContact O-N 3.16Å; K327-V331 PolarHBondContact O-N 3.26Å; K327-I380 HydrophobicContact CB-CB 4.12Å; K327-I380 HydrophobicContact CB-CG2 3.74Å; K327-I380 HydrophobicContact CD-CD1 3.76Å; K327-I380 HydrophobicContact CG-CB 4.05Å; K327-I380 HydrophobicContact CG-CD1 4.03Å; K327-I380 HydrophobicContact CG-CG2 4.23Å; K327-F409 HydrophobicContact CB-CZ 4.05Å; K327-F409 HydrophobicContact CD-CZ 4.3Å
328	L	98.3	Very high	95.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-36.5	177.3	-73.2	169.6	0	0	0	112.2	L262 A316 Y324 I325 T330 V331 Y332 F409 I413	L262-L328 HydrophobicContact CD1-CB 3.92Å; A316-L328 HydrophobicContact CB-CD1 4.01Å; A316-L328 HydrophobicContact CB-CD2 3.8Å; Y324-L328 WeakPolarHBondContact O-CB 3.28Å; Y324-L328 VanDerWaalsContact O-CG 3.23Å; Y324-L328 WeakPolarHBondContact O-CG 2.96Å; Y324-L328 PolarHBondContact O-N 3.18Å; I325-L328 PolarHBondContact O-N 3.1Å; L328-T330 VanDerWaalsContact C-N 3.29Å; L328-T330 PolarHBondContact O-N 3.13Å; L328-V331 WeakPolarHBondContact O-CB 3.45Å; L328-V331 PolarHBondContact O-N 2.93Å; L328-Y332 WeakPolarHBondContact O-CB 3.44Å; L328-Y332 PolarHBondContact O-N 3.43Å; L328-F409 HydrophobicContact CD2-CD1 4.15Å; L328-F409 HydrophobicContact CD2-CE1 3.9Å; L328-F409 HydrophobicContact CG-CE1 4.33Å; L328-I413 HydrophobicContact CD1-CD1 4.1Å
329	A	96.6	Very high	95.7	Very high	16 Å²	16	27.6 Å²	27.6	13%	0.132	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-38.2	172.4	0	0	0	0	0	111.3	I325 E326 K327 Y332 W333	I325-A329 WeakPolarHBondContact O-CB 3.24Å; I325-A329 PolarHBondContact O-N 3.33Å; E326-A329 PolarHBondContact O-N 2.86Å; K327-A329 VanDerWaalsContact C-N 3.34Å; K327-A329 PolarHBondContact O-N 3.39Å; A329-Y332 WeakPolarHBondContact O-CB 3.43Å; A329-Y332 PolarHBondContact O-N 2.92Å; A329-W333 WeakPolarHBondContact O-CB 3.4Å; A329-W333 PolarHBondContact O-N 2.98Å
330	T	98.1	Very high	96.1	Very high	16 Å²	16	27.5 Å²	27.5	10%	0.098	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-40.1	173.8	-57.3	0	0	0	0	112.1	E326 K327 L328 Y332 W333 F334 T379 Y384	E326-T330 PolarHBondContact O-N 2.8Å; E326-T330 PolarHBondContact O-OG1 3.44Å; K327-T330 WeakPolarHBondContact O-CB 3.46Å; K327-T330 PolarHBondContact O-N 3.19Å; K327-T330 VanDerWaalsContact O-N 3.16Å; L328-T330 VanDerWaalsContact C-N 3.29Å; L328-T330 PolarHBondContact O-N 3.13Å; T330-Y332 VanDerWaalsContact C-N 3.34Å; T330-W333 PolarHBondContact O-N 3.1Å; T330-F334 HydrophobicContact CG2-CD2 3.81Å; T330-F334 HydrophobicContact CG2-CE2 3.87Å; T330-F334 WeakPolarHBondContact O-CD2 3.49Å; T330-F334 PolarHBondContact O-N 2.85Å; T330-T379 WeakPolarHBondContact CG2-O 3.48Å; T330-Y384 HydrophobicContact CG2-CD1 4.44Å; T330-Y384 HydrophobicContact CG2-CE1 3.94Å
331	V	98.6	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-46.4	171.9	170.4	0	0	0	0	110.2	K327 L328 W333 F334 T335 F374 P376 I380 V406	K327-V331 PolarHBondContact O-N 3.26Å; L328-V331 WeakPolarHBondContact O-CB 3.45Å; L328-V331 PolarHBondContact O-N 2.93Å; V331-W333 PolarHBondContact O-N 3.49Å; V331-F334 PolarHBondContact O-N 3.33Å; V331-T335 WeakPolarHBondContact O-CB 3.3Å; V331-T335 WeakPolarHBondContact O-CG2 3.16Å; V331-T335 PolarHBondContact O-N 2.82Å; V331-T335 VanDerWaalsContact O-N 3.11Å; V331-T335 PolarHBondContact O-OG1 3.46Å; V331-F374 HydrophobicContact CG1-CE2 4.29Å; V331-F374 HydrophobicContact CG1-CZ 4.02Å; V331-P376 HydrophobicContact CG2-CB 4.35Å; V331-I380 HydrophobicContact CG2-CG2 3.7Å; V331-V406 HydrophobicContact CG1-CG2 3.98Å
332	Y	98.6	Very high	96.8	Very high	16 Å²	16	30.2 Å²	30.2	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-46.5	177.3	-175.1	-90.9	0	0	0	111.5	F261 L262 L265 H297 I313 L328 A329 T330 F334 T335 V336 E337	F261-Y332 AromaticContact CE1-CE1 3.89Å; F261-Y332 HydrophobicContact CE1-CE1 3.89Å; F261-Y332 AromaticContact CE1-CE2 3.97Å; F261-Y332 HydrophobicContact CE1-CE2 3.97Å; F261-Y332 AromaticContact CE1-CZ 3.5Å; F261-Y332 VanDerWaalsContact CE1-CZ 3.5Å; F261-Y332 WeakPolarHBondContact CE1-OH 3.48Å; F261-Y332 WeakPolarHBondContact CZ-OH 3.44Å; L262-Y332 HydrophobicContact CD2-CD2 3.86Å; L262-Y332 HydrophobicContact CD2-CG 4.1Å; L265-Y332 HydrophobicContact CD1-CD2 4.01Å; L265-Y332 HydrophobicContact CD1-CE2 3.58Å; H297-Y332 PolarHBondContact CE1-OH 3.35Å; I313-Y332 HydrophobicContact CD1-CD2 4.41Å; L328-Y332 WeakPolarHBondContact O-CB 3.44Å; L328-Y332 PolarHBondContact O-N 3.43Å; A329-Y332 WeakPolarHBondContact O-CB 3.43Å; A329-Y332 PolarHBondContact O-N 2.92Å; T330-Y332 VanDerWaalsContact C-N 3.34Å; Y332-F334 PolarHBondContact O-N 3.38Å; Y332-T335 CarbonylContact O-C 3.44Å; Y332-T335 PolarHBondContact O-N 3.3Å; Y332-T335 VanDerWaalsContact O-N 3.17Å; Y332-T335 PolarHBondContact O-OG1 3.21Å; Y332-V336 HydrophobicContact CD1-CB 4.45Å; Y332-V336 HydrophobicContact CD2-CB 3.77Å; Y332-V336 HydrophobicContact CD2-CG1 4.28Å; Y332-V336 HydrophobicContact CD2-CG2 3.74Å; Y332-V336 HydrophobicContact CE1-CB 4.23Å; Y332-V336 HydrophobicContact CE1-CG1 4.25Å; Y332-V336 HydrophobicContact CE2-CB 3.49Å; Y332-V336 VanDerWaalsContact CE2-CB 3.49Å; Y332-V336 HydrophobicContact CE2-CG1 3.48Å; Y332-V336 VanDerWaalsContact CE2-CG1 3.48Å; Y332-V336 HydrophobicContact CE2-CG2 3.67Å; Y332-V336 HydrophobicContact CG-CB 4.23Å; Y332-V336 VanDerWaalsContact CZ-CG1 3.44Å; Y332-V336 PolarHBondContact O-N 3.11Å; Y332-V336 WeakPolarHBondContact OH-CG1 3.41Å; Y332-E337 HydrophobicContact CD1-CG 3.87Å; Y332-E337 HydrophobicContact CE1-CG 3.62Å; Y332-E337 VanDerWaalsContact CE1-OE1 3.22Å; Y332-E337 WeakPolarHBondContact CE1-OE1 3.4Å; Y332-E337 PolarHBondContact O-N 3.46Å
333	W	98.4	Very high	97.4	Very high	43 Å²	43	29 Å²	29	16%	0.163	13%	0.134	C	C	.	.	I	π-helix	trans	-55.4	-52.7	176.5	-175.9	-92.1	0	0	0	112.3	A329 T330 V331 T335 E337 F338 Y384 P385 I386	A329-W333 WeakPolarHBondContact O-CB 3.4Å; A329-W333 PolarHBondContact O-N 2.98Å; T330-W333 PolarHBondContact O-N 3.1Å; V331-W333 PolarHBondContact O-N 3.49Å; W333-T335 PolarHBondContact O-N 3.4Å; W333-E337 HydrophobicContact CE3-CG 4.47Å; W333-E337 WeakPolarHBondContact O-CB 3.27Å; W333-F338 AromaticContact CD2-CD2 3.8Å; W333-F338 HydrophobicContact CD2-CD2 3.8Å; W333-F338 AromaticContact CD2-CE2 3.91Å; W333-F338 HydrophobicContact CD2-CE2 3.91Å; W333-F338 AromaticContact CE2-CD2 3.46Å; W333-F338 VanDerWaalsContact CE2-CD2 3.46Å; W333-F338 AromaticContact CE2-CE2 3.48Å; W333-F338 VanDerWaalsContact CE2-CE2 3.48Å; W333-F338 HydrophobicContact CE3-CD2 4.31Å; W333-F338 HydrophobicContact CE3-CE2 4.04Å; W333-F338 HydrophobicContact CG-CD2 4.23Å; W333-F338 HydrophobicContact CH2-CD2 4.27Å; W333-F338 AromaticContact CH2-CE2 3.43Å; W333-F338 HydrophobicContact CH2-CE2 3.43Å; W333-F338 VanDerWaalsContact CH2-CE2 3.43Å; W333-F338 HydrophobicContact CH2-CZ 4.05Å; W333-F338 AromaticContact CZ2-CD2 3.74Å; W333-F338 HydrophobicContact CZ2-CD2 3.74Å; W333-F338 AromaticContact CZ2-CE2 3.25Å; W333-F338 HydrophobicContact CZ2-CE2 3.25Å; W333-F338 AromaticContact CZ2-CZ 3.9Å; W333-F338 HydrophobicContact CZ2-CZ 3.9Å; W333-F338 AromaticContact CZ3-CE2 3.82Å; W333-F338 HydrophobicContact CZ3-CE2 3.82Å; W333-F338 AromaticContact NE1-CD2 3.66Å; W333-F338 WeakPolarHBondContact O-CB 3.28Å; W333-F338 PolarHBondContact O-N 2.99Å; W333-Y384 HydrophobicContact CB-CE1 4.34Å; W333-Y384 HydrophobicContact CB-CE2 4.44Å; W333-Y384 AromaticContact CD1-CD1 3.81Å; W333-Y384 AromaticContact CD1-CD2 3.71Å; W333-Y384 AromaticContact CD1-CG 3.57Å; W333-Y384 AromaticContact CD2-CD2 3.65Å; W333-Y384 HydrophobicContact CD2-CD2 3.65Å; W333-Y384 AromaticContact CD2-CE2 3.54Å; W333-Y384 HydrophobicContact CD2-CE2 3.54Å; W333-Y384 HydrophobicContact CD2-CG 4.31Å; W333-Y384 AromaticContact CE2-CD2 3.3Å; W333-Y384 AromaticContact CE2-CE2 3.72Å; W333-Y384 AromaticContact CE2-CG 3.89Å; W333-Y384 HydrophobicContact CE3-CD2 4.35Å; W333-Y384 AromaticContact CE3-CE2 3.92Å; W333-Y384 HydrophobicContact CE3-CE2 3.92Å; W333-Y384 HydrophobicContact CG-CD1 4.25Å; W333-Y384 AromaticContact CG-CD2 3.9Å; W333-Y384 HydrophobicContact CG-CD2 3.9Å; W333-Y384 HydrophobicContact CG-CE1 4.17Å; W333-Y384 AromaticContact CG-CE2 3.78Å; W333-Y384 HydrophobicContact CG-CE2 3.78Å; W333-Y384 HydrophobicContact CG-CG 4.12Å; W333-Y384 AromaticContact CG-CZ 3.91Å; W333-Y384 HydrophobicContact CH2-CD2 4.42Å; W333-Y384 AromaticContact CZ2-CD2 3.74Å; W333-Y384 HydrophobicContact CZ2-CD2 3.74Å; W333-Y384 HydrophobicContact CZ2-CE2 4.23Å; W333-Y384 HydrophobicContact CZ3-CE2 4.41Å; W333-Y384 AromaticContact NE1-CD2 3.36Å; W333-Y384 AromaticContact NE1-CG 3.41Å; W333-P385 WeakPolarHBondContact CZ2-O 3.21Å; W333-I386 HydrophobicContact CH2-CB 4.21Å; W333-I386 HydrophobicContact CH2-CG2 3.79Å; W333-I386 HydrophobicContact CZ2-CG2 4.21Å; W333-I386 HydrophobicContact CZ3-CG2 4.26Å
334	F	98.6	Very high	97.5	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	15%	0.147	C	C	.	.	I	π-helix	trans	-80.4	3.7	-178	-73.3	-61.8	0	0	0	114.8	T330 V331 Y332 T379 Q382 Y384 F394	T330-F334 HydrophobicContact CG2-CD2 3.81Å; T330-F334 HydrophobicContact CG2-CE2 3.87Å; T330-F334 WeakPolarHBondContact O-CD2 3.49Å; T330-F334 PolarHBondContact O-N 2.85Å; V331-F334 PolarHBondContact O-N 3.33Å; Y332-F334 PolarHBondContact O-N 3.38Å; F334-T379 HydrophobicContact CB-CG2 3.58Å; F334-T379 HydrophobicContact CD2-CG2 3.63Å; F334-T379 HydrophobicContact CG-CG2 3.93Å; F334-Q382 HydrophobicContact CE1-CG 4.2Å; F334-Q382 HydrophobicContact CE2-CB 3.7Å; F334-Q382 HydrophobicContact CE2-CG 3.62Å; F334-Q382 WeakPolarHBondContact CE2-O 3.39Å; F334-Q382 HydrophobicContact CZ-CB 3.99Å; F334-Q382 HydrophobicContact CZ-CG 3.34Å; F334-Y384 AromaticContact CE2-CD1 3.61Å; F334-Y384 HydrophobicContact CE2-CD1 3.61Å; F334-Y384 HydrophobicContact CE2-CE1 4.33Å; F334-Y384 HydrophobicContact CE2-CG 4.38Å; F334-Y384 AromaticContact CZ-CD1 3.83Å; F334-Y384 HydrophobicContact CZ-CD1 3.83Å; F334-Y384 HydrophobicContact CZ-CG 4.16Å; F334-F394 HydrophobicContact CB-CB 4.43Å; F334-F394 HydrophobicContact CB-CD2 3.7Å; F334-F394 HydrophobicContact CB-CE2 4.36Å; F334-F394 HydrophobicContact CB-CG 4.38Å; F334-F394 AromaticContact CD1-CD2 3.57Å; F334-F394 HydrophobicContact CD1-CD2 3.57Å; F334-F394 AromaticContact CD1-CE2 3.92Å; F334-F394 HydrophobicContact CD1-CE2 3.92Å; F334-F394 HydrophobicContact CD2-CD2 4.2Å; F334-F394 HydrophobicContact CD2-CE2 4.04Å; F334-F394 HydrophobicContact CE1-CD2 4.21Å; F334-F394 HydrophobicContact CE1-CE2 4.16Å; F334-F394 HydrophobicContact CE2-CE2 4.26Å; F334-F394 AromaticContact CG-CD2 3.56Å; F334-F394 HydrophobicContact CG-CD2 3.56Å; F334-F394 AromaticContact CG-CE2 3.84Å; F334-F394 HydrophobicContact CG-CE2 3.84Å; F334-F394 HydrophobicContact CZ-CE2 4.31Å
335	T	98.8	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-123.3	-81.2	176	57.8	0	0	0	0	111.3	F309 V331 Y332 W333 E337 G339 Y350 F374	F309-T335 HydrophobicContact CZ-CG2 3.91Å; V331-T335 WeakPolarHBondContact O-CB 3.3Å; V331-T335 WeakPolarHBondContact O-CG2 3.16Å; V331-T335 PolarHBondContact O-N 2.82Å; V331-T335 VanDerWaalsContact O-N 3.11Å; V331-T335 PolarHBondContact O-OG1 3.46Å; Y332-T335 CarbonylContact O-C 3.44Å; Y332-T335 PolarHBondContact O-N 3.3Å; Y332-T335 VanDerWaalsContact O-N 3.17Å; Y332-T335 PolarHBondContact O-OG1 3.21Å; W333-T335 PolarHBondContact O-N 3.4Å; T335-E337 VanDerWaalsContact C-N 3.26Å; T335-E337 PolarHBondContact O-N 2.64Å; T335-G339 WeakPolarHBondContact O-CA 3.37Å; T335-G339 PolarHBondContact O-N 3.25Å; T335-Y350 VanDerWaalsContact C-CE2 3.49Å; T335-Y350 WeakPolarHBondContact CA-OH 3.44Å; T335-Y350 VanDerWaalsContact CB-OH 3.23Å; T335-Y350 WeakPolarHBondContact CB-OH 3.28Å; T335-Y350 WeakPolarHBondContact O-CE2 3.25Å; T335-Y350 PolarHBondContact O-OH 2.91Å; T335-F374 HydrophobicContact CG2-CD1 4.45Å; T335-F374 HydrophobicContact CG2-CD2 3.74Å; T335-F374 HydrophobicContact CG2-CE1 4.1Å; T335-F374 HydrophobicContact CG2-CE2 3.34Å; T335-F374 HydrophobicContact CG2-CG 4.29Å; T335-F374 HydrophobicContact CG2-CZ 3.53Å
336	V	98.7	Very high	97.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.198	C	C	.	.	I	π-helix	trans	-60.7	-34.5	-175.3	-179	0	0	0	0	112.1	F306 F309 I313 Y332 G351 A352	F306-V336 HydrophobicContact CZ-CB 4.36Å; F306-V336 HydrophobicContact CZ-CG1 4.04Å; F306-V336 HydrophobicContact CZ-CG2 4.06Å; F309-V336 HydrophobicContact CE1-CG2 3.97Å; I313-V336 HydrophobicContact CD1-CG2 4Å; Y332-V336 HydrophobicContact CD1-CB 4.45Å; Y332-V336 HydrophobicContact CD2-CB 3.77Å; Y332-V336 HydrophobicContact CD2-CG1 4.28Å; Y332-V336 HydrophobicContact CD2-CG2 3.74Å; Y332-V336 HydrophobicContact CE1-CB 4.23Å; Y332-V336 HydrophobicContact CE1-CG1 4.25Å; Y332-V336 HydrophobicContact CE2-CB 3.49Å; Y332-V336 VanDerWaalsContact CE2-CB 3.49Å; Y332-V336 HydrophobicContact CE2-CG1 3.48Å; Y332-V336 VanDerWaalsContact CE2-CG1 3.48Å; Y332-V336 HydrophobicContact CE2-CG2 3.67Å; Y332-V336 HydrophobicContact CG-CB 4.23Å; Y332-V336 VanDerWaalsContact CZ-CG1 3.44Å; Y332-V336 PolarHBondContact O-N 3.11Å; Y332-V336 WeakPolarHBondContact OH-CG1 3.41Å; V336-G351 WeakPolarHBondContact O-CA 3.48Å; V336-A352 PolarHBondContact O-N 3.22Å
337	E	98	Very high	97.7	Very high	25 Å²	25	30.9 Å²	30.9	12%	0.117	18%	0.182	C	C	.	.	I	π-helix	trans	-89	-49.4	-179.9	-66	-63	159.3	0	0	114.2	H292 H297 Y332 W333 T335 G351 A352 G353	H292-E337 IonicContact CE1-OE2 2.71Å; H292-E337 PolarHBondContact CE1-OE2 3.16Å; H292-E337 VanDerWaalsContact CE1-OE2 3.29Å; H292-E337 IonicContact NE2-OE2 2.81Å; H297-E337 IonicContact CE1-OE1 2.99Å; H297-E337 PolarHBondContact CE1-OE1 2.9Å; H297-E337 IonicContact NE2-OE1 4Å; H297-E337 PolarHBondContact NE2-OE1 2.99Å; H297-E337 IonicContact NE2-OE2 2.94Å; Y332-E337 HydrophobicContact CD1-CG 3.87Å; Y332-E337 HydrophobicContact CE1-CG 3.62Å; Y332-E337 VanDerWaalsContact CE1-OE1 3.22Å; Y332-E337 WeakPolarHBondContact CE1-OE1 3.4Å; Y332-E337 PolarHBondContact O-N 3.46Å; W333-E337 HydrophobicContact CE3-CG 4.47Å; W333-E337 WeakPolarHBondContact O-CB 3.27Å; T335-E337 VanDerWaalsContact C-N 3.26Å; T335-E337 PolarHBondContact O-N 2.64Å; E337-G351 VanDerWaalsContact C-CA 3.48Å; E337-G351 CarbonylContact O-C 3.6Å; E337-G351 WeakPolarHBondContact O-CA 3.46Å; E337-A352 PolarHBondContact O-N 3.15Å; E337-G353 WeakPolarHBondContact O-CA 2.94Å; E337-G353 PolarHBondContact O-N 2.8Å
338	F	98.3	Very high	97.7	Very high	17 Å²	17	30.6 Å²	30.6	8%	0.075	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	28.7	-172	-65.5	-87.8	0	0	0	113	W333 L354 Q390 Y393	W333-F338 AromaticContact CD2-CD2 3.8Å; W333-F338 HydrophobicContact CD2-CD2 3.8Å; W333-F338 AromaticContact CD2-CE2 3.91Å; W333-F338 HydrophobicContact CD2-CE2 3.91Å; W333-F338 AromaticContact CE2-CD2 3.46Å; W333-F338 VanDerWaalsContact CE2-CD2 3.46Å; W333-F338 AromaticContact CE2-CE2 3.48Å; W333-F338 VanDerWaalsContact CE2-CE2 3.48Å; W333-F338 HydrophobicContact CE3-CD2 4.31Å; W333-F338 HydrophobicContact CE3-CE2 4.04Å; W333-F338 HydrophobicContact CG-CD2 4.23Å; W333-F338 HydrophobicContact CH2-CD2 4.27Å; W333-F338 AromaticContact CH2-CE2 3.43Å; W333-F338 HydrophobicContact CH2-CE2 3.43Å; W333-F338 VanDerWaalsContact CH2-CE2 3.43Å; W333-F338 HydrophobicContact CH2-CZ 4.05Å; W333-F338 AromaticContact CZ2-CD2 3.74Å; W333-F338 HydrophobicContact CZ2-CD2 3.74Å; W333-F338 AromaticContact CZ2-CE2 3.25Å; W333-F338 HydrophobicContact CZ2-CE2 3.25Å; W333-F338 AromaticContact CZ2-CZ 3.9Å; W333-F338 HydrophobicContact CZ2-CZ 3.9Å; W333-F338 AromaticContact CZ3-CE2 3.82Å; W333-F338 HydrophobicContact CZ3-CE2 3.82Å; W333-F338 AromaticContact NE1-CD2 3.66Å; W333-F338 WeakPolarHBondContact O-CB 3.28Å; W333-F338 PolarHBondContact O-N 2.99Å; F338-L354 HydrophobicContact CD1-CD2 3.85Å; F338-L354 HydrophobicContact CD1-CG 3.93Å; F338-L354 HydrophobicContact CE1-CD2 4.37Å; F338-Q390 HydrophobicContact CB-CG 4.2Å; F338-Q390 HydrophobicContact CD1-CG 3.55Å; F338-Q390 HydrophobicContact CD2-CG 4.46Å; F338-Q390 HydrophobicContact CE1-CG 4.03Å; F338-Q390 HydrophobicContact CG-CG 3.81Å; F338-Y393 HydrophobicContact CB-CD1 4.34Å; F338-Y393 HydrophobicContact CB-CE1 4.39Å; F338-Y393 HydrophobicContact CD1-CE1 4.34Å; F338-Y393 WeakPolarHBondContact O-CD1 3.13Å
339	G	98.3	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.			trans	-80.9	146.1	-178.3	0	0	0	0	0	114.7	T335 Y350 G351	T335-G339 WeakPolarHBondContact O-CA 3.37Å; T335-G339 PolarHBondContact O-N 3.25Å; G339-Y350 WeakPolarHBondContact O-CD1 3.48Å; G339-Y350 PolarHBondContact O-N 3.11Å; G339-Y350 VanDerWaalsContact O-N 3.14Å; G339-G351 PolarHBondContact O-N 3.22Å
340	L	98.8	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.1	170	-57.5	179.7	0	0	0	110	I347 K348 V349 Y350 L354 L365 L371 Y393 F394 V395 A396	L340-I347 HydrophobicContact CB-CG2 3.87Å; L340-I347 HydrophobicContact CD1-CG2 3.97Å; L340-I347 HydrophobicContact CG-CG2 4.42Å; L340-K348 CarbonylContact C-O 3.59Å; L340-K348 WeakPolarHBondContact CA-O 3.43Å; L340-V349 HydrophobicContact CD2-CB 4.22Å; L340-V349 HydrophobicContact CD2-CG1 4.34Å; L340-V349 HydrophobicContact CD2-CG2 3.71Å; L340-Y350 VanDerWaalsContact C-CD1 3.5Å; L340-Y350 VanDerWaalsContact C-CE1 3.43Å; L340-Y350 VanDerWaalsContact O-CE1 3.23Å; L340-Y350 WeakPolarHBondContact O-CE1 3.35Å; L340-L354 HydrophobicContact CD2-CD1 3.86Å; L340-L365 HydrophobicContact CD2-CD2 4.47Å; L340-L371 HydrophobicContact CD1-CD2 3.66Å; L340-Y393 HydrophobicContact CD1-CG 4.07Å; L340-Y393 HydrophobicContact CG-CG 4.47Å; L340-F394 PolarHBondContact N-O 3.05Å; L340-F394 VanDerWaalsContact N-O 3.09Å; L340-V395 HydrophobicContact CB-CG2 4.15Å; L340-V395 HydrophobicContact CD1-CG2 4.39Å; L340-V395 CarbonylContact O-C 3.54Å; L340-V395 VanDerWaalsContact O-CA 3.27Å; L340-V395 WeakPolarHBondContact O-CA 2.86Å; L340-A396 PolarHBondContact O-N 3.36Å
341	C	98.5	Very high	97.8	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.5	177	64.6	0	0	0	0	112	C210 K348 Y350 A396	C210-C341 VanDerWaalsContact CB-SG 3.51Å; C341-K348 PolarHBondContact N-O 3.04Å; C341-K348 PolarHBondContact O-N 2.86Å; C341-Y350 HydrophobicContact CB-CD1 3.8Å; C341-Y350 HydrophobicContact CB-CE1 4.21Å; C341-A396 CarbonylContact C-O 3.58Å; C341-A396 VanDerWaalsContact CA-O 3.29Å; C341-A396 WeakPolarHBondContact CA-O 3.05Å
342	K	98.1	Very high	97.8	Very high	91 Å²	91	29.1 Å²	29.1	40%	0.396	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.6	169.5	-63.7	-163.3	-168.5	154.7	0	111.7	D346 V395 A396 E397	K342-D346 WeakPolarHBondContact CA-O 3.49Å; K342-V395 HydrophobicContact CG-CG1 3.67Å; K342-A396 PolarHBondContact N-O 3.05Å; K342-E397 VanDerWaalsContact CD-OE2 3.32Å; K342-E397 WeakPolarHBondContact CD-OE2 3.15Å; K342-E397 WeakPolarHBondContact CE-OE1 3.43Å; K342-E397 IonicContact NZ-OE1 2.64Å; K342-E397 PolarHBondContact NZ-OE1 3.26Å; K342-E397 IonicContact NZ-OE2 2.99Å; K342-E397 PolarHBondContact NZ-OE2 3.19Å
343	Q	96.4	Very high	97.6	Very high	37 Å²	37	28.8 Å²	28.8	17%	0.173	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	91.9	169.9	-63	-159.8	-48.8	0	0	109.3	R211 E212 S345 D346 K348	R211-Q343 VanDerWaalsContact N-NE2 3.19Å; E212-Q343 PolarHBondContact OE2-NE2 2.87Å; Q343-S345 PolarHBondContact O-N 3.47Å; Q343-D346 PolarHBondContact N-O 3.24Å; Q343-D346 PolarHBondContact O-N 3.04Å; Q343-K348 HydrophobicContact CB-CG 4.27Å; Q343-K348 HydrophobicContact CG-CB 4.42Å; Q343-K348 HydrophobicContact CG-CG 4.2Å
344	G	94.4	Very high	97.5	Very high	78 Å²	78	26.7 Å²	26.7	80%	0.804	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	-124.2	-170	0	0	0	0	0	110.5	D346	G344-D346 VanDerWaalsContact C-N 3.34Å
345	S	93.6	Very high	97.5	Very high	118 Å²	118	26.7 Å²	26.7	83%	0.825	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.5	173.4	51.8	0	0	0	0	113.8	Q343	Q343-S345 PolarHBondContact O-N 3.47Å
346	D	96.6	Very high	97.3	Very high	85 Å²	85	27 Å²	27	46%	0.455	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	154.7	-169.4	-60.4	-15.4	0	0	0	111.8	K342 Q343 G344	K342-D346 WeakPolarHBondContact CA-O 3.49Å; Q343-D346 PolarHBondContact N-O 3.24Å; Q343-D346 PolarHBondContact O-N 3.04Å; G344-D346 VanDerWaalsContact C-N 3.34Å
347	I	98.1	Very high	96.9	Very high	57 Å²	57	28.2 Å²	28.2	29%	0.292	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.7	169.4	-61	176.7	0	0	0	108	L340 L365 L371 V395	L340-I347 HydrophobicContact CB-CG2 3.87Å; L340-I347 HydrophobicContact CD1-CG2 3.97Å; L340-I347 HydrophobicContact CG-CG2 4.42Å; I347-L365 HydrophobicContact CG2-CD2 4.11Å; I347-L371 HydrophobicContact CD1-CD1 3.54Å; I347-V395 HydrophobicContact CD1-CG2 4.34Å; I347-V395 HydrophobicContact CG2-CG1 4.41Å; I347-V395 HydrophobicContact CG2-CG2 4.49Å
348	K	98.4	Very high	96.5	Very high	36 Å²	36	30.1 Å²	30.1	16%	0.157	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	160.4	-178	-63.2	-69.1	-178	163.8	0	110.9	T207 C210 L340 C341 Q343	T207-K348 PolarHBondContact O-NZ 3.4Å; C210-K348 HydrophobicContact CB-CB 4.11Å; L340-K348 CarbonylContact C-O 3.59Å; L340-K348 WeakPolarHBondContact CA-O 3.43Å; C341-K348 PolarHBondContact N-O 3.04Å; C341-K348 PolarHBondContact O-N 2.86Å; Q343-K348 HydrophobicContact CB-CG 4.27Å; Q343-K348 HydrophobicContact CG-CB 4.42Å; Q343-K348 HydrophobicContact CG-CG 4.2Å
349	V	98.6	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.5	-172.6	-177.1	0	0	0	0	110.8	H208 A209 C210 L340 L354 L355 L361 C364 L365	H208-V349 PolarHBondContact O-N 3.3Å; A209-V349 CarbonylContact C-O 3.52Å; A209-V349 WeakPolarHBondContact CA-O 3.49Å; C210-V349 PolarHBondContact N-O 3.48Å; L340-V349 HydrophobicContact CD2-CB 4.22Å; L340-V349 HydrophobicContact CD2-CG1 4.34Å; L340-V349 HydrophobicContact CD2-CG2 3.71Å; V349-L354 HydrophobicContact CG1-CB 3.33Å; V349-L354 HydrophobicContact CG1-CD1 3.67Å; V349-L354 HydrophobicContact CG1-CG 4.13Å; V349-L355 HydrophobicContact CB-CD2 4.39Å; V349-L355 HydrophobicContact CG1-CD2 4.1Å; V349-L355 HydrophobicContact CG1-CG 4.13Å; V349-L361 HydrophobicContact CB-CD1 3.88Å; V349-L361 HydrophobicContact CG1-CD1 3.78Å; V349-L361 HydrophobicContact CG2-CD1 3.82Å; V349-C364 VanDerWaalsContact CG2-SG 3.57Å; V349-L365 HydrophobicContact CG2-CD1 4.14Å; V349-L365 HydrophobicContact CG2-CD2 4.1Å; V349-L365 HydrophobicContact CG2-CG 4.11Å
350	Y	98.7	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	19%	0.187	C	C	.	.			trans	-130.1	-17.3	171.6	80.9	-99	0	0	0	113	L300 F306 T335 G339 L340 C341 A352 L355 A396 F399	L300-Y350 HydrophobicContact CD1-CD2 3.98Å; L300-Y350 HydrophobicContact CD1-CG 4.32Å; L300-Y350 WeakPolarHBondContact CD1-O 3.37Å; F306-Y350 HydrophobicContact CD2-CD2 4.33Å; F306-Y350 AromaticContact CE2-CD2 3.55Å; F306-Y350 HydrophobicContact CE2-CD2 3.55Å; F306-Y350 AromaticContact CE2-CE2 3.65Å; F306-Y350 HydrophobicContact CE2-CE2 3.65Å; F306-Y350 HydrophobicContact CZ-CD2 4.33Å; F306-Y350 HydrophobicContact CZ-CE2 4.47Å; T335-Y350 VanDerWaalsContact C-CE2 3.49Å; T335-Y350 WeakPolarHBondContact CA-OH 3.44Å; T335-Y350 VanDerWaalsContact CB-OH 3.23Å; T335-Y350 WeakPolarHBondContact CB-OH 3.28Å; T335-Y350 WeakPolarHBondContact O-CE2 3.25Å; T335-Y350 PolarHBondContact O-OH 2.91Å; G339-Y350 WeakPolarHBondContact O-CD1 3.48Å; G339-Y350 PolarHBondContact O-N 3.11Å; G339-Y350 VanDerWaalsContact O-N 3.14Å; L340-Y350 VanDerWaalsContact C-CD1 3.5Å; L340-Y350 VanDerWaalsContact C-CE1 3.43Å; L340-Y350 VanDerWaalsContact O-CE1 3.23Å; L340-Y350 WeakPolarHBondContact O-CE1 3.35Å; C341-Y350 HydrophobicContact CB-CD1 3.8Å; C341-Y350 HydrophobicContact CB-CE1 4.21Å; Y350-A352 PolarHBondContact O-N 3.05Å; Y350-L355 WeakPolarHBondContact O-CD1 3.46Å; Y350-A396 HydrophobicContact CE1-CB 4.32Å; Y350-F399 AromaticContact CD1-CE1 3.94Å; Y350-F399 HydrophobicContact CD1-CE1 3.94Å; Y350-F399 AromaticContact CD2-CE1 3.85Å; Y350-F399 HydrophobicContact CD2-CE1 3.85Å; Y350-F399 HydrophobicContact CD2-CZ 4.36Å; Y350-F399 HydrophobicContact CE1-CE1 4.21Å; Y350-F399 HydrophobicContact CE2-CE1 4.14Å; Y350-F399 AromaticContact CG-CE1 3.74Å; Y350-F399 HydrophobicContact CG-CE1 3.74Å; Y350-F399 HydrophobicContact CG-CZ 4.09Å
351	G	98.5	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.187	C	C	.	.			trans	-59.1	132	177	0	0	0	0	0	112.8	V336 E337 G339 L354 L355	V336-G351 WeakPolarHBondContact O-CA 3.48Å; E337-G351 VanDerWaalsContact C-CA 3.48Å; E337-G351 CarbonylContact O-C 3.6Å; E337-G351 WeakPolarHBondContact O-CA 3.46Å; G339-G351 PolarHBondContact O-N 3.22Å; G351-L354 WeakPolarHBondContact O-CB 2.95Å; G351-L354 PolarHBondContact O-N 2.74Å; G351-L354 VanDerWaalsContact O-N 3.16Å; G351-L355 WeakPolarHBondContact O-CG 3.49Å; G351-L355 PolarHBondContact O-N 2.93Å
352	A	97.9	Very high	95.3	Very high	1 Å²	1	35 Å²	35	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-40.8	-177.8	0	0	0	0	0	113.4	H297 V336 E337 Y350 L354 L355 S356	H297-A352 HydrophobicContact CB-CB 4.38Å; H297-A352 WeakPolarHBondContact CE1-CB 3.4Å; H297-A352 WeakPolarHBondContact ND1-CB 3.33Å; H297-A352 WeakPolarHBondContact NE2-CB 3.34Å; V336-A352 PolarHBondContact O-N 3.22Å; E337-A352 PolarHBondContact O-N 3.15Å; Y350-A352 PolarHBondContact O-N 3.05Å; A352-L354 PolarHBondContact O-N 3.08Å; A352-L355 PolarHBondContact O-N 2.88Å; A352-S356 WeakPolarHBondContact O-CB 3.42Å; A352-S356 PolarHBondContact O-N 3.35Å; A352-S356 PolarHBondContact O-OG 2.88Å
353	G	95.1	Very high	95.2	Very high	8 Å²	8	33 Å²	33	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-36.1	173.4	0	0	0	0	0	112.3	E337 S356 S357	E337-G353 WeakPolarHBondContact O-CA 2.94Å; E337-G353 PolarHBondContact O-N 2.8Å; G353-S356 PolarHBondContact O-OG 3.45Å; G353-S357 WeakPolarHBondContact O-CB 3.13Å; G353-S357 PolarHBondContact O-N 3.47Å
354	L	95.9	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-75.9	-46.7	175.8	-60.8	172.5	0	0	0	111.8	F338 L340 V349 G351 A352 S356 S357 E360 L361 C364 Y393	F338-L354 HydrophobicContact CD1-CD2 3.85Å; F338-L354 HydrophobicContact CD1-CG 3.93Å; F338-L354 HydrophobicContact CE1-CD2 4.37Å; L340-L354 HydrophobicContact CD2-CD1 3.86Å; V349-L354 HydrophobicContact CG1-CB 3.33Å; V349-L354 HydrophobicContact CG1-CD1 3.67Å; V349-L354 HydrophobicContact CG1-CG 4.13Å; G351-L354 WeakPolarHBondContact O-CB 2.95Å; G351-L354 PolarHBondContact O-N 2.74Å; G351-L354 VanDerWaalsContact O-N 3.16Å; A352-L354 PolarHBondContact O-N 3.08Å; L354-S356 PolarHBondContact O-N 3.42Å; L354-S356 VanDerWaalsContact O-N 3.14Å; L354-S357 PolarHBondContact O-N 2.98Å; L354-E360 HydrophobicContact CD2-CB 3.94Å; L354-E360 HydrophobicContact CD2-CG 3.51Å; L354-L361 WeakPolarHBondContact O-CB 3.29Å; L354-C364 HydrophobicContact CD1-CB 4.31Å; L354-C364 HydrophobicContact CD2-CB 4Å; L354-Y393 HydrophobicContact CD1-CD1 4.12Å; L354-Y393 HydrophobicContact CD1-CE1 3.93Å; L354-Y393 HydrophobicContact CD2-CE1 3.68Å; L354-Y393 HydrophobicContact CG-CE1 4.31Å
355	L	97.3	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68	-11.4	-178.4	-69.9	172.8	0	0	0	113.9	Y205 A209 L300 V349 Y350 G351 A352 L361	Y205-L355 HydrophobicContact CD1-CD2 4.17Å; Y205-L355 HydrophobicContact CE1-CB 4.41Å; Y205-L355 HydrophobicContact CE1-CD2 4.06Å; Y205-L355 WeakPolarHBondContact CE1-O 3.34Å; Y205-L355 PolarHBondContact OH-O 3.17Å; A209-L355 HydrophobicContact CB-CD2 3.57Å; L300-L355 HydrophobicContact CD1-CD1 4.47Å; V349-L355 HydrophobicContact CB-CD2 4.39Å; V349-L355 HydrophobicContact CG1-CD2 4.1Å; V349-L355 HydrophobicContact CG1-CG 4.13Å; Y350-L355 WeakPolarHBondContact O-CD1 3.46Å; G351-L355 WeakPolarHBondContact O-CG 3.49Å; G351-L355 PolarHBondContact O-N 2.93Å; A352-L355 PolarHBondContact O-N 2.88Å; L355-L361 HydrophobicContact CD2-CD1 4.37Å
356	S	95.1	Very high	95.4	Very high	8 Å²	8	27.5 Å²	27.5	6%	0.056	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	1.3	176.9	60.6	0	0	0	0	114.2	H292 A352 G353 L354	H292-S356 PolarHBondContact ND1-OG 3.21Å; A352-S356 WeakPolarHBondContact O-CB 3.42Å; A352-S356 PolarHBondContact O-N 3.35Å; A352-S356 PolarHBondContact O-OG 2.88Å; G353-S356 PolarHBondContact O-OG 3.45Å; L354-S356 PolarHBondContact O-N 3.42Å; L354-S356 VanDerWaalsContact O-N 3.14Å
357	S	91.3	Very high	95.3	Very high	26 Å²	26	30.8 Å²	30.8	18%	0.182	16%	0.16	C	C	.	.			trans	-125.3	102.9	-179.3	177.7	0	0	0	0	110.5	G353 L354 G359 E360 L361	G353-S357 WeakPolarHBondContact O-CB 3.13Å; G353-S357 PolarHBondContact O-N 3.47Å; L354-S357 PolarHBondContact O-N 2.98Å; S357-G359 PolarHBondContact O-N 3.21Å; S357-E360 PolarHBondContact O-N 3.02Å; S357-E360 WeakPolarHBondContact OG-CB 3.08Å; S357-E360 PolarHBondContact OG-N 2.8Å; S357-L361 WeakPolarHBondContact O-CB 3.47Å; S357-L361 PolarHBondContact O-N 3.05Å
358	F	88.3	Confident	95.2	Very high	64 Å²	64	35.7 Å²	35.7	28%	0.281	18%	0.179	S	C	.	.	H	α-helix	trans	-60.2	-33.4	-177.6	64.5	-89.2	0	0	0	112.6	L201 L204 T283 K362	L201-F358 HydrophobicContact CD2-CB 4.13Å; L204-F358 HydrophobicContact CD1-CB 4.15Å; T283-F358 VanDerWaalsContact CB-CZ 3.46Å; T283-F358 HydrophobicContact CG2-CE1 3.52Å; T283-F358 HydrophobicContact CG2-CZ 3.74Å; T283-F358 WeakPolarHBondContact O-CE1 3.48Å; F358-K362 WeakPolarHBondContact O-CG 3.37Å; F358-K362 PolarHBondContact O-N 3.12Å
359	G	88.8	Confident	95.2	Very high	12 Å²	12	34.5 Å²	34.5	12%	0.124	18%	0.175	C	C	.	.	H	α-helix	trans	-70.5	-45.8	-177.6	0	0	0	0	0	111	S357 Y363 Y389	S357-G359 PolarHBondContact O-N 3.21Å; G359-Y363 WeakPolarHBondContact O-CB 3.12Å; G359-Y363 PolarHBondContact O-N 3.27Å; G359-Y363 VanDerWaalsContact O-N 3.11Å; G359-Y389 WeakPolarHBondContact CA-OH 3.42Å
360	E	92.7	Very high	95.2	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-77.7	-32	-179.2	-150.6	167.7	179.1	0	0	112.5	L354 S357 K362 Y363 C364 Y389 Q390 Y393	L354-E360 HydrophobicContact CD2-CB 3.94Å; L354-E360 HydrophobicContact CD2-CG 3.51Å; S357-E360 PolarHBondContact O-N 3.02Å; S357-E360 WeakPolarHBondContact OG-CB 3.08Å; S357-E360 PolarHBondContact OG-N 2.8Å; E360-K362 VanDerWaalsContact C-N 3.27Å; E360-K362 PolarHBondContact O-N 2.9Å; E360-Y363 HydrophobicContact CG-CD1 4.37Å; E360-Y363 PolarHBondContact O-N 3.13Å; E360-Y363 VanDerWaalsContact O-N 3.14Å; E360-C364 WeakPolarHBondContact O-CB 3.38Å; E360-C364 PolarHBondContact O-N 3Å; E360-C364 PolarHBondContact O-SG 3.38Å; E360-C364 VanDerWaalsContact O-SG 3.35Å; E360-Y389 HydrophobicContact CB-CD1 3.84Å; E360-Y389 HydrophobicContact CB-CE1 3.87Å; E360-Y389 HydrophobicContact CB-CG 4.47Å; E360-Y389 HydrophobicContact CG-CD1 3.61Å; E360-Y389 HydrophobicContact CG-CE1 4.17Å; E360-Y389 HydrophobicContact CG-CG 3.93Å; E360-Y389 VanDerWaalsContact OE1-CA 3.31Å; E360-Y389 WeakPolarHBondContact OE1-CA 3.37Å; E360-Q390 WeakPolarHBondContact OE1-CG 3.31Å; E360-Q390 PolarHBondContact OE1-N 3.35Å; E360-Y393 WeakPolarHBondContact CG-OH 3.23Å; E360-Y393 PolarHBondContact OE1-OH 3.1Å; E360-Y393 VanDerWaalsContact OE1-OH 3.07Å
361	L	94.4	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.1	-41.9	172.5	-172.5	56.1	0	0	0	112	L201 L204 Y205 H208 V349 L354 L355 S357 C364	L201-L361 HydrophobicContact CD2-CD2 4.21Å; L204-L361 HydrophobicContact CB-CD2 3.71Å; L204-L361 HydrophobicContact CD1-CD2 4.02Å; Y205-L361 HydrophobicContact CD1-CD2 4.36Å; Y205-L361 HydrophobicContact CE1-CD2 4.39Å; H208-L361 HydrophobicContact CB-CD1 3.71Å; H208-L361 HydrophobicContact CB-CD2 4.29Å; H208-L361 HydrophobicContact CB-CG 3.88Å; H208-L361 PolarHBondContact CD2-O 3.1Å; V349-L361 HydrophobicContact CB-CD1 3.88Å; V349-L361 HydrophobicContact CG1-CD1 3.78Å; V349-L361 HydrophobicContact CG2-CD1 3.82Å; L354-L361 WeakPolarHBondContact O-CB 3.29Å; L355-L361 HydrophobicContact CD2-CD1 4.37Å; S357-L361 WeakPolarHBondContact O-CB 3.47Å; S357-L361 PolarHBondContact O-N 3.05Å; L361-C364 PolarHBondContact O-SG 3.19Å
362	K	93.6	Very high	95.1	Very high	101 Å²	101	45.7 Å²	45.7	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-73.8	-42	174.8	-68.8	177	-172.7	176.2	0	111.7	L204 F358 E360 T366	L204-K362 HydrophobicContact CD1-CG 4.27Å; L204-K362 HydrophobicContact CD2-CG 4.45Å; F358-K362 WeakPolarHBondContact O-CG 3.37Å; F358-K362 PolarHBondContact O-N 3.12Å; E360-K362 VanDerWaalsContact C-N 3.27Å; E360-K362 PolarHBondContact O-N 2.9Å; K362-T366 WeakPolarHBondContact O-CG2 3.18Å
363	Y	95.6	Very high	95.2	Very high	48 Å²	48	49.8 Å²	49.8	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-42.7	-176.2	168.5	-95.7	0	0	0	113	G359 E360 L365 T366 K368 P369 Y389 Q390 Y393	G359-Y363 WeakPolarHBondContact O-CB 3.12Å; G359-Y363 PolarHBondContact O-N 3.27Å; G359-Y363 VanDerWaalsContact O-N 3.11Å; E360-Y363 HydrophobicContact CG-CD1 4.37Å; E360-Y363 PolarHBondContact O-N 3.13Å; E360-Y363 VanDerWaalsContact O-N 3.14Å; Y363-L365 PolarHBondContact O-N 3Å; Y363-L365 VanDerWaalsContact O-N 3.12Å; Y363-T366 WeakPolarHBondContact O-CB 3.34Å; Y363-T366 PolarHBondContact O-N 2.87Å; Y363-T366 PolarHBondContact O-OG1 3.02Å; Y363-K368 HydrophobicContact CD2-CD 4.3Å; Y363-K368 HydrophobicContact CE2-CB 3.76Å; Y363-K368 HydrophobicContact CE2-CD 4.01Å; Y363-P369 HydrophobicContact CE1-CB 3.92Å; Y363-P369 HydrophobicContact CE1-CG 4.17Å; Y363-Y389 AromaticContact CD1-CD2 3.97Å; Y363-Y389 HydrophobicContact CD1-CD2 3.97Å; Y363-Y389 HydrophobicContact CD1-CG 4.15Å; Y363-Y389 HydrophobicContact CD2-CD2 4.01Å; Y363-Y389 HydrophobicContact CE1-CD2 4.48Å; Y363-Y389 AromaticContact CG-CD2 3.72Å; Y363-Y389 HydrophobicContact CG-CD2 3.72Å; Y363-Y389 HydrophobicContact CG-CE2 4.39Å; Y363-Y389 HydrophobicContact CG-CG 4.35Å; Y363-Q390 WeakPolarHBondContact CE1-O 3.22Å; Y363-Y393 HydrophobicContact CD1-CE2 4.29Å; Y363-Y393 WeakPolarHBondContact CD1-OH 3.46Å; Y363-Y393 AromaticContact CE1-CE2 3.99Å; Y363-Y393 HydrophobicContact CE1-CE2 3.99Å
364	C	95.9	Very high	95.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.2	-171.8	67.8	0	0	0	0	114.6	V349 L354 E360 L361 Y393	V349-C364 VanDerWaalsContact CG2-SG 3.57Å; L354-C364 HydrophobicContact CD1-CB 4.31Å; L354-C364 HydrophobicContact CD2-CB 4Å; E360-C364 WeakPolarHBondContact O-CB 3.38Å; E360-C364 PolarHBondContact O-N 3Å; E360-C364 PolarHBondContact O-SG 3.38Å; E360-C364 VanDerWaalsContact O-SG 3.35Å; L361-C364 PolarHBondContact O-SG 3.19Å; C364-Y393 HydrophobicContact CB-CD1 4.38Å; C364-Y393 HydrophobicContact CB-CD2 4.22Å; C364-Y393 HydrophobicContact CB-CE1 3.84Å; C364-Y393 HydrophobicContact CB-CE2 3.68Å; C364-Y393 VanDerWaalsContact CB-CZ 3.46Å
365	L	95.3	Very high	95.4	Very high	62 Å²	62	51.5 Å²	51.5	33%	0.325	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	7.7	176.6	-58.9	-176.4	0	0	0	113.6	H208 L340 I347 V349 Y363	H208-L365 HydrophobicContact CB-CD1 4.23Å; L340-L365 HydrophobicContact CD2-CD2 4.47Å; I347-L365 HydrophobicContact CG2-CD2 4.11Å; V349-L365 HydrophobicContact CG2-CD1 4.14Å; V349-L365 HydrophobicContact CG2-CD2 4.1Å; V349-L365 HydrophobicContact CG2-CG 4.11Å; Y363-L365 PolarHBondContact O-N 3Å; Y363-L365 VanDerWaalsContact O-N 3.12Å
366	T	96.4	Very high	95.4	Very high	55 Å²	55	51.8 Å²	51.8	34%	0.337	26%	0.264	S	S	.	.	S	Bend	trans	-80.4	178.9	171	66.7	0	0	0	0	111.5	K362 Y363 K368 P369	K362-T366 WeakPolarHBondContact O-CG2 3.18Å; Y363-T366 WeakPolarHBondContact O-CB 3.34Å; Y363-T366 PolarHBondContact O-N 2.87Å; Y363-T366 PolarHBondContact O-OG1 3.02Å; T366-K368 VanDerWaalsContact C-N 3.27Å; T366-K368 PolarHBondContact OG1-N 3.28Å; T366-P369 WeakPolarHBondContact OG1-CD 3.42Å
367	D	95.1	Very high	95.4	Very high	154 Å²	154	56.4 Å²	56.4	82%	0.824	29%	0.285	S	S	*	.	S	Bend	trans	-80.9	-4.3	172.4	62.5	-23	0	0	0	113.7
368	K	96.9	Very high	95.7	Very high	160 Å²	160	61.5 Å²	61.5	70%	0.696	30%	0.303	S	S	*	.	S	Bend	trans	-73.1	-49.6	-177.1	-62.1	178.8	179.8	177.8	0	113.9	Y363 T366	Y363-K368 HydrophobicContact CD2-CD 4.3Å; Y363-K368 HydrophobicContact CE2-CB 3.76Å; Y363-K368 HydrophobicContact CE2-CD 4.01Å; T366-K368 VanDerWaalsContact C-N 3.27Å; T366-K368 PolarHBondContact OG1-N 3.28Å
369	P	97.6	Very high	96.1	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.071	29%	0.29	C	S	.	.	S	Bend	trans	-80	154.5	-179.5	33.5	-36.6	0	0	0	112	Y363 T366 Y393	Y363-P369 HydrophobicContact CE1-CB 3.92Å; Y363-P369 HydrophobicContact CE1-CG 4.17Å; T366-P369 WeakPolarHBondContact OG1-CD 3.42Å; P369-Y393 HydrophobicContact CB-CD2 3.6Å; P369-Y393 HydrophobicContact CB-CE2 3.44Å; P369-Y393 VanDerWaalsContact CB-CE2 3.44Å; P369-Y393 HydrophobicContact CG-CD2 3.97Å; P369-Y393 HydrophobicContact CG-CE2 3.78Å
370	Q	98.1	Very high	96.5	Very high	108 Å²	108	59.6 Å²	59.6	51%	0.505	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.6	173.1	-172.6	178.4	35.9	0	0	110.6	K372 P391 V392 Y393	Q370-K372 HydrophobicContact CG-CG 4.34Å; Q370-P391 PolarHBondContact N-O 2.67Å; Q370-V392 HydrophobicContact CB-CG2 4.26Å; Q370-V392 CarbonylContact O-C 3.57Å; Q370-V392 VanDerWaalsContact O-CA 3.28Å; Q370-V392 WeakPolarHBondContact O-CA 3.44Å; Q370-Y393 PolarHBondContact O-N 2.86Å
371	L	98.3	Very high	96.6	Very high	67 Å²	67	66.5 Å²	66.5	35%	0.351	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.6	174	-52.2	-171.8	0	0	0	110.4	L340 I347 Y393 V395	L340-L371 HydrophobicContact CD1-CD2 3.66Å; I347-L371 HydrophobicContact CD1-CD1 3.54Å; L371-Y393 HydrophobicContact CD2-CD2 4.07Å; L371-Y393 HydrophobicContact CD2-CG 4.42Å; L371-V395 HydrophobicContact CB-CG2 4.13Å
372	K	98.3	Very high	96.8	Very high	61 Å²	61	68.6 Å²	68.6	27%	0.265	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.6	177.8	-64.2	-178.5	-171.7	171.9	0	110.6	Q370 V392 Y393 F394 V395	Q370-K372 HydrophobicContact CG-CG 4.34Å; K372-V392 HydrophobicContact CD-CG1 3.74Å; K372-V392 HydrophobicContact CG-CG1 4.08Å; K372-Y393 PolarHBondContact N-O 3.3Å; K372-F394 HydrophobicContact CB-CD1 3.84Å; K372-F394 HydrophobicContact CB-CE1 3.78Å; K372-F394 HydrophobicContact CB-CZ 4.47Å; K372-F394 HydrophobicContact CD-CE1 4.15Å; K372-F394 HydrophobicContact CD-CZ 4.16Å; K372-F394 CarbonylContact O-C 3.58Å; K372-F394 VanDerWaalsContact O-CA 3.27Å; K372-F394 WeakPolarHBondContact O-CA 3.3Å; K372-V395 PolarHBondContact O-N 2.91Å
373	P	98.4	Very high	96.8	Very high	88 Å²	88	72.7 Å²	72.7	57%	0.571	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	137	172.1	28.3	-33.6	0	0	0	110.4	D375 F394	P373-D375 PolarHBondContact O-N 2.9Å; P373-F394 WeakPolarHBondContact O-CD1 3.32Å
374	F	98.6	Very high	96.7	Very high	1 Å²	1	74 Å²	74	0%	0.004	36%	0.358	C	S	.	.			trans	-66.3	121.9	176.5	176.7	-117.1	0	0	0	111.1	V331 T335 P376 T379 F394 V395 A396 A402 K405 V406	V331-F374 HydrophobicContact CG1-CE2 4.29Å; V331-F374 HydrophobicContact CG1-CZ 4.02Å; T335-F374 HydrophobicContact CG2-CD1 4.45Å; T335-F374 HydrophobicContact CG2-CD2 3.74Å; T335-F374 HydrophobicContact CG2-CE1 4.1Å; T335-F374 HydrophobicContact CG2-CE2 3.34Å; T335-F374 HydrophobicContact CG2-CG 4.29Å; T335-F374 HydrophobicContact CG2-CZ 3.53Å; F374-P376 HydrophobicContact CE1-CG 4.1Å; F374-P376 HydrophobicContact CE2-CG 4.31Å; F374-P376 HydrophobicContact CZ-CG 3.72Å; F374-T379 HydrophobicContact CD2-CG2 4.41Å; F374-T379 HydrophobicContact CE2-CG2 4.25Å; F374-F394 HydrophobicContact CB-CB 4.18Å; F374-F394 HydrophobicContact CD2-CB 4.27Å; F374-V395 PolarHBondContact N-O 2.84Å; F374-A396 HydrophobicContact CB-CB 4.44Å; F374-A402 HydrophobicContact CD1-CB 4.08Å; F374-A402 HydrophobicContact CE1-CB 3.94Å; F374-K405 HydrophobicContact CD1-CD 4.2Å; F374-K405 HydrophobicContact CE1-CB 4.36Å; F374-K405 PolarHBondContact O-NZ 3.49Å; F374-V406 HydrophobicContact CZ-CG2 4.24Å
375	D	98	Very high	96.4	Very high	43 Å²	43	75.6 Å²	75.6	23%	0.23	37%	0.369	C	S	.	.			trans	-150.6	106.6	179.5	178.6	-4.1	0	0	0	107.1	P373 E377 K378 T379	P373-D375 PolarHBondContact O-N 2.9Å; D375-E377 VanDerWaalsContact C-N 3.27Å; D375-E377 PolarHBondContact O-N 3.38Å; D375-E377 PolarHBondContact OD1-N 2.93Å; D375-K378 HydrophobicContact CB-CB 4.41Å; D375-K378 HydrophobicContact CB-CD 4.29Å; D375-K378 PolarHBondContact O-N 3.46Å; D375-K378 VanDerWaalsContact O-N 3.07Å; D375-K378 WeakPolarHBondContact OD2-CD 3.49Å; D375-K378 VanDerWaalsContact OD2-CE 3.23Å; D375-K378 WeakPolarHBondContact OD2-CE 3.38Å; D375-K378 IonicContact OD2-NZ 2.93Å; D375-K378 PolarHBondContact OD2-NZ 3.26Å; D375-T379 WeakPolarHBondContact O-CB 3.45Å; D375-T379 PolarHBondContact O-N 3.44Å; D375-T379 PolarHBondContact O-OG1 3.06Å
376	P	97.3	Very high	95.9	Very high	5 Å²	5	78.3 Å²	78.3	3%	0.032	38%	0.382	C	S	.	.	H	α-helix	trans	-51.3	-42.2	-173	-30.3	34.9	0	0	0	113.9	V331 F374 K378 T379 I380 K405 F409	V331-P376 HydrophobicContact CG2-CB 4.35Å; F374-P376 HydrophobicContact CE1-CG 4.1Å; F374-P376 HydrophobicContact CE2-CG 4.31Å; F374-P376 HydrophobicContact CZ-CG 3.72Å; P376-K378 PolarHBondContact O-N 2.94Å; P376-T379 PolarHBondContact O-N 3.48Å; P376-I380 WeakPolarHBondContact O-CG1 3.49Å; P376-I380 VanDerWaalsContact O-CG2 3.27Å; P376-I380 WeakPolarHBondContact O-CG2 3.5Å; P376-I380 PolarHBondContact O-N 3.09Å; P376-K405 HydrophobicContact CG-CB 3.92Å; P376-F409 HydrophobicContact CB-CB 3.79Å; P376-F409 HydrophobicContact CB-CD2 4.09Å; P376-F409 HydrophobicContact CB-CG 3.86Å; P376-F409 HydrophobicContact CG-CB 4.26Å
377	E	95	Very high	95.2	Very high	105 Å²	105	80.3 Å²	80.3	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-30.7	-177.3	-68.1	-177.3	-167	0	0	113.1	D375 I380	D375-E377 VanDerWaalsContact C-N 3.27Å; D375-E377 PolarHBondContact O-N 3.38Å; D375-E377 PolarHBondContact OD1-N 2.93Å; E377-I380 WeakPolarHBondContact O-CG1 3.34Å
378	K	96.2	Very high	94.9	Very high	133 Å²	133	79.7 Å²	79.7	58%	0.578	39%	0.387	S	S	*	.	H	α-helix	trans	-89	-37	175.1	-63.8	175.2	-171.8	147.7	0	111.9	D375 P376 I380 Q381	D375-K378 HydrophobicContact CB-CB 4.41Å; D375-K378 HydrophobicContact CB-CD 4.29Å; D375-K378 PolarHBondContact O-N 3.46Å; D375-K378 VanDerWaalsContact O-N 3.07Å; D375-K378 WeakPolarHBondContact OD2-CD 3.49Å; D375-K378 VanDerWaalsContact OD2-CE 3.23Å; D375-K378 WeakPolarHBondContact OD2-CE 3.38Å; D375-K378 IonicContact OD2-NZ 2.93Å; D375-K378 PolarHBondContact OD2-NZ 3.26Å; P376-K378 PolarHBondContact O-N 2.94Å; K378-I380 VanDerWaalsContact C-N 3.32Å; K378-I380 PolarHBondContact O-N 3.09Å; K378-Q381 PolarHBondContact O-N 3.35Å
379	T	97.5	Very high	94.7	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-40.3	-176.2	-54.8	0	0	0	0	110.8	T330 F334 F374 D375 P376 Q381 Q382 F394	T330-T379 WeakPolarHBondContact CG2-O 3.48Å; F334-T379 HydrophobicContact CB-CG2 3.58Å; F334-T379 HydrophobicContact CD2-CG2 3.63Å; F334-T379 HydrophobicContact CG-CG2 3.93Å; F374-T379 HydrophobicContact CD2-CG2 4.41Å; F374-T379 HydrophobicContact CE2-CG2 4.25Å; D375-T379 WeakPolarHBondContact O-CB 3.45Å; D375-T379 PolarHBondContact O-N 3.44Å; D375-T379 PolarHBondContact O-OG1 3.06Å; P376-T379 PolarHBondContact O-N 3.48Å; T379-Q381 PolarHBondContact O-N 2.97Å; T379-Q381 VanDerWaalsContact O-N 3.08Å; T379-Q382 WeakPolarHBondContact O-CB 3.42Å; T379-Q382 PolarHBondContact O-N 3.41Å; T379-F394 HydrophobicContact CG2-CD1 4.49Å; T379-F394 HydrophobicContact CG2-CD2 3.99Å; T379-F394 HydrophobicContact CG2-CE1 4.43Å; T379-F394 HydrophobicContact CG2-CE2 3.91Å; T379-F394 HydrophobicContact CG2-CG 4.26Å; T379-F394 HydrophobicContact CG2-CZ 4.14Å; T379-F394 WeakPolarHBondContact OG1-CE1 3.33Å
380	I	97.1	Very high	94.6	Very high	37 Å²	37	76.8 Å²	76.8	19%	0.19	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.5	-180	62.2	166.4	0	0	0	114.5	K327 V331 P376 E377 K378 F409	K327-I380 HydrophobicContact CB-CB 4.12Å; K327-I380 HydrophobicContact CB-CG2 3.74Å; K327-I380 HydrophobicContact CD-CD1 3.76Å; K327-I380 HydrophobicContact CG-CB 4.05Å; K327-I380 HydrophobicContact CG-CD1 4.03Å; K327-I380 HydrophobicContact CG-CG2 4.23Å; V331-I380 HydrophobicContact CG2-CG2 3.7Å; P376-I380 WeakPolarHBondContact O-CG1 3.49Å; P376-I380 VanDerWaalsContact O-CG2 3.27Å; P376-I380 WeakPolarHBondContact O-CG2 3.5Å; P376-I380 PolarHBondContact O-N 3.09Å; E377-I380 WeakPolarHBondContact O-CG1 3.34Å; K378-I380 VanDerWaalsContact C-N 3.32Å; K378-I380 PolarHBondContact O-N 3.09Å; I380-F409 HydrophobicContact CD1-CE2 3.99Å; I380-F409 HydrophobicContact CD1-CZ 4.32Å; I380-F409 HydrophobicContact CG2-CE2 4.39Å; I380-F409 HydrophobicContact CG2-CZ 4.09Å
381	Q	95.6	Very high	94.6	Very high	157 Å²	157	74.8 Å²	74.8	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.7	177.7	-56.9	-178.6	-0.5	0	0	112.2	K378 T379 K383	K378-Q381 PolarHBondContact O-N 3.35Å; T379-Q381 PolarHBondContact O-N 2.97Å; T379-Q381 VanDerWaalsContact O-N 3.08Å; Q381-K383 PolarHBondContact O-N 3.34Å
382	Q	97.3	Very high	94.6	Very high	44 Å²	44	72.1 Å²	72.1	21%	0.206	35%	0.353	C	S	.	.			trans	-79.2	119.5	-176.3	-178.1	66.9	61.7	0	0	110.1	F334 T379 F394	F334-Q382 HydrophobicContact CE1-CG 4.2Å; F334-Q382 HydrophobicContact CE2-CB 3.7Å; F334-Q382 HydrophobicContact CE2-CG 3.62Å; F334-Q382 WeakPolarHBondContact CE2-O 3.39Å; F334-Q382 HydrophobicContact CZ-CB 3.99Å; F334-Q382 HydrophobicContact CZ-CG 3.34Å; T379-Q382 WeakPolarHBondContact O-CB 3.42Å; T379-Q382 PolarHBondContact O-N 3.41Å; Q382-F394 HydrophobicContact CB-CE2 4.02Å; Q382-F394 HydrophobicContact CB-CZ 4.08Å; Q382-F394 HydrophobicContact CG-CE2 3.93Å; Q382-F394 HydrophobicContact CG-CZ 4.29Å
383	K	94.3	Very high	94.6	Very high	187 Å²	187	69.2 Å²	69.2	81%	0.813	34%	0.341	S	S	*	.			trans	-76.4	150.5	167.9	-62	-176	179	-176.5	0	110.4	Q381	Q381-K383 PolarHBondContact O-N 3.34Å
384	Y	93.8	Very high	94.6	Very high	75 Å²	75	65.3 Å²	65.3	29%	0.294	32%	0.315	S	S	.	.			trans	-138.8	145.3	180	47.2	-86.9	0	0	0	112.2	T330 W333 F334 I386 Q390	T330-Y384 HydrophobicContact CG2-CD1 4.44Å; T330-Y384 HydrophobicContact CG2-CE1 3.94Å; W333-Y384 HydrophobicContact CB-CE1 4.34Å; W333-Y384 HydrophobicContact CB-CE2 4.44Å; W333-Y384 AromaticContact CD1-CD1 3.81Å; W333-Y384 AromaticContact CD1-CD2 3.71Å; W333-Y384 AromaticContact CD1-CG 3.57Å; W333-Y384 AromaticContact CD2-CD2 3.65Å; W333-Y384 HydrophobicContact CD2-CD2 3.65Å; W333-Y384 AromaticContact CD2-CE2 3.54Å; W333-Y384 HydrophobicContact CD2-CE2 3.54Å; W333-Y384 HydrophobicContact CD2-CG 4.31Å; W333-Y384 AromaticContact CE2-CD2 3.3Å; W333-Y384 AromaticContact CE2-CE2 3.72Å; W333-Y384 AromaticContact CE2-CG 3.89Å; W333-Y384 HydrophobicContact CE3-CD2 4.35Å; W333-Y384 AromaticContact CE3-CE2 3.92Å; W333-Y384 HydrophobicContact CE3-CE2 3.92Å; W333-Y384 HydrophobicContact CG-CD1 4.25Å; W333-Y384 AromaticContact CG-CD2 3.9Å; W333-Y384 HydrophobicContact CG-CD2 3.9Å; W333-Y384 HydrophobicContact CG-CE1 4.17Å; W333-Y384 AromaticContact CG-CE2 3.78Å; W333-Y384 HydrophobicContact CG-CE2 3.78Å; W333-Y384 HydrophobicContact CG-CG 4.12Å; W333-Y384 AromaticContact CG-CZ 3.91Å; W333-Y384 HydrophobicContact CH2-CD2 4.42Å; W333-Y384 AromaticContact CZ2-CD2 3.74Å; W333-Y384 HydrophobicContact CZ2-CD2 3.74Å; W333-Y384 HydrophobicContact CZ2-CE2 4.23Å; W333-Y384 HydrophobicContact CZ3-CE2 4.41Å; W333-Y384 AromaticContact NE1-CD2 3.36Å; W333-Y384 AromaticContact NE1-CG 3.41Å; F334-Y384 AromaticContact CE2-CD1 3.61Å; F334-Y384 HydrophobicContact CE2-CD1 3.61Å; F334-Y384 HydrophobicContact CE2-CE1 4.33Å; F334-Y384 HydrophobicContact CE2-CG 4.38Å; F334-Y384 AromaticContact CZ-CD1 3.83Å; F334-Y384 HydrophobicContact CZ-CD1 3.83Å; F334-Y384 HydrophobicContact CZ-CG 4.16Å; Y384-I386 HydrophobicContact CD2-CG2 4.02Å; Y384-I386 HydrophobicContact CE2-CG2 4.02Å; Y384-Q390 VanDerWaalsContact CB-OE1 3.31Å
385	P	90	Very high	94.6	Very high	35 Å²	35	65.6 Å²	65.6	23%	0.227	32%	0.317	C	S	.	.			trans	-77.2	148.8	165.2	33.5	-32.4	0	0	0	110.3	W333 E388 Q390	W333-P385 WeakPolarHBondContact CZ2-O 3.21Å; P385-E388 HydrophobicContact CB-CB 4.08Å; P385-E388 HydrophobicContact CG-CB 4.24Å; P385-Q390 PolarHBondContact O-NE2 2.91Å
386	I	84.4	Confident	94.6	Very high	119 Å²	119	63.6 Å²	63.6	61%	0.61	31%	0.306	S	S	*	.	S	Bend	trans	-105.1	-13.2	174.7	58.7	165.3	0	0	0	112.9	W333 Y384	W333-I386 HydrophobicContact CH2-CB 4.21Å; W333-I386 HydrophobicContact CH2-CG2 3.79Å; W333-I386 HydrophobicContact CZ2-CG2 4.21Å; W333-I386 HydrophobicContact CZ3-CG2 4.26Å; Y384-I386 HydrophobicContact CD2-CG2 4.02Å; Y384-I386 HydrophobicContact CE2-CG2 4.02Å
387	T	81.8	Confident	94.7	Very high	97 Å²	97	67.2 Å²	67.2	60%	0.595	32%	0.323	S	S	*	.	S	Bend	trans	-112.1	-0.8	-176.3	49.3	0	0	0	0	113.6
388	E	87.9	Confident	94.8	Very high	140 Å²	140	64.3 Å²	64.3	65%	0.654	31%	0.314	S	S	*	.	S	Bend	trans	-133.4	161.8	-176.6	-61.1	-179.4	-168.9	0	0	110.2	P385 Q390	P385-E388 HydrophobicContact CB-CB 4.08Å; P385-E388 HydrophobicContact CG-CB 4.24Å; E388-Q390 PolarHBondContact O-NE2 3.43Å
389	Y	93.1	Very high	94.9	Very high	108 Å²	108	58.3 Å²	58.3	42%	0.424	29%	0.288	S	S	.	.			trans	-61.2	141.7	174.9	-63.5	-19	0	0	0	111.4	G359 E360 Y363 P391	G359-Y389 WeakPolarHBondContact CA-OH 3.42Å; E360-Y389 HydrophobicContact CB-CD1 3.84Å; E360-Y389 HydrophobicContact CB-CE1 3.87Å; E360-Y389 HydrophobicContact CB-CG 4.47Å; E360-Y389 HydrophobicContact CG-CD1 3.61Å; E360-Y389 HydrophobicContact CG-CE1 4.17Å; E360-Y389 HydrophobicContact CG-CG 3.93Å; E360-Y389 VanDerWaalsContact OE1-CA 3.31Å; E360-Y389 WeakPolarHBondContact OE1-CA 3.37Å; Y363-Y389 AromaticContact CD1-CD2 3.97Å; Y363-Y389 HydrophobicContact CD1-CD2 3.97Å; Y363-Y389 HydrophobicContact CD1-CG 4.15Å; Y363-Y389 HydrophobicContact CD2-CD2 4.01Å; Y363-Y389 HydrophobicContact CE1-CD2 4.48Å; Y363-Y389 AromaticContact CG-CD2 3.72Å; Y363-Y389 HydrophobicContact CG-CD2 3.72Å; Y363-Y389 HydrophobicContact CG-CE2 4.39Å; Y363-Y389 HydrophobicContact CG-CG 4.35Å; Y389-P391 WeakPolarHBondContact O-CD 3.39Å
390	Q	96.3	Very high	94.9	Very high	2 Å²	2	61 Å²	61	1%	0.009	30%	0.301	C	S	.	.			trans	-66.3	124.4	-175	-55.5	-57.2	-66.8	0	0	111	F338 E360 Y363 Y384 P385 E388 V392 Y393	F338-Q390 HydrophobicContact CB-CG 4.2Å; F338-Q390 HydrophobicContact CD1-CG 3.55Å; F338-Q390 HydrophobicContact CD2-CG 4.46Å; F338-Q390 HydrophobicContact CE1-CG 4.03Å; F338-Q390 HydrophobicContact CG-CG 3.81Å; E360-Q390 WeakPolarHBondContact OE1-CG 3.31Å; E360-Q390 PolarHBondContact OE1-N 3.35Å; Y363-Q390 WeakPolarHBondContact CE1-O 3.22Å; Y384-Q390 VanDerWaalsContact CB-OE1 3.31Å; P385-Q390 PolarHBondContact O-NE2 2.91Å; E388-Q390 PolarHBondContact O-NE2 3.43Å; Q390-V392 PolarHBondContact O-N 2.9Å; Q390-Y393 HydrophobicContact CB-CD1 4.2Å; Q390-Y393 HydrophobicContact CB-CE1 3.63Å; Q390-Y393 HydrophobicContact CB-CE2 4.15Å; Q390-Y393 HydrophobicContact CG-CE1 3.96Å; Q390-Y393 WeakPolarHBondContact O-CE2 3.35Å; Q390-Y393 PolarHBondContact O-OH 3.29Å
391	P	97	Very high	94.9	Very high	66 Å²	66	61.6 Å²	61.6	43%	0.429	30%	0.304	S	S	.	.	S	Bend	trans	-73.3	-18.3	176.4	29.7	-34.9	0	0	0	112.3	Q370 Y389	Q370-P391 PolarHBondContact N-O 2.67Å; Y389-P391 WeakPolarHBondContact O-CD 3.39Å
392	V	98.1	Very high	95.1	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.3	-177.6	-175.7	0	0	0	0	109.3	Q370 K372 Q390 F394	Q370-V392 HydrophobicContact CB-CG2 4.26Å; Q370-V392 CarbonylContact O-C 3.57Å; Q370-V392 VanDerWaalsContact O-CA 3.28Å; Q370-V392 WeakPolarHBondContact O-CA 3.44Å; K372-V392 HydrophobicContact CD-CG1 3.74Å; K372-V392 HydrophobicContact CG-CG1 4.08Å; Q390-V392 PolarHBondContact O-N 2.9Å; V392-F394 HydrophobicContact CG1-CE2 4.23Å
393	Y	98.5	Very high	95.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.9	170.8	-59.9	-87.3	0	0	0	110.8	F338 L340 L354 E360 Y363 C364 P369 Q370 L371 K372 Q390	F338-Y393 HydrophobicContact CB-CD1 4.34Å; F338-Y393 HydrophobicContact CB-CE1 4.39Å; F338-Y393 HydrophobicContact CD1-CE1 4.34Å; F338-Y393 WeakPolarHBondContact O-CD1 3.13Å; L340-Y393 HydrophobicContact CD1-CG 4.07Å; L340-Y393 HydrophobicContact CG-CG 4.47Å; L354-Y393 HydrophobicContact CD1-CD1 4.12Å; L354-Y393 HydrophobicContact CD1-CE1 3.93Å; L354-Y393 HydrophobicContact CD2-CE1 3.68Å; L354-Y393 HydrophobicContact CG-CE1 4.31Å; E360-Y393 WeakPolarHBondContact CG-OH 3.23Å; E360-Y393 PolarHBondContact OE1-OH 3.1Å; E360-Y393 VanDerWaalsContact OE1-OH 3.07Å; Y363-Y393 HydrophobicContact CD1-CE2 4.29Å; Y363-Y393 WeakPolarHBondContact CD1-OH 3.46Å; Y363-Y393 AromaticContact CE1-CE2 3.99Å; Y363-Y393 HydrophobicContact CE1-CE2 3.99Å; C364-Y393 HydrophobicContact CB-CD1 4.38Å; C364-Y393 HydrophobicContact CB-CD2 4.22Å; C364-Y393 HydrophobicContact CB-CE1 3.84Å; C364-Y393 HydrophobicContact CB-CE2 3.68Å; C364-Y393 VanDerWaalsContact CB-CZ 3.46Å; P369-Y393 HydrophobicContact CB-CD2 3.6Å; P369-Y393 HydrophobicContact CB-CE2 3.44Å; P369-Y393 VanDerWaalsContact CB-CE2 3.44Å; P369-Y393 HydrophobicContact CG-CD2 3.97Å; P369-Y393 HydrophobicContact CG-CE2 3.78Å; Q370-Y393 PolarHBondContact O-N 2.86Å; L371-Y393 HydrophobicContact CD2-CD2 4.07Å; L371-Y393 HydrophobicContact CD2-CG 4.42Å; K372-Y393 PolarHBondContact N-O 3.3Å; Q390-Y393 HydrophobicContact CB-CD1 4.2Å; Q390-Y393 HydrophobicContact CB-CE1 3.63Å; Q390-Y393 HydrophobicContact CB-CE2 4.15Å; Q390-Y393 HydrophobicContact CG-CE1 3.96Å; Q390-Y393 WeakPolarHBondContact O-CE2 3.35Å; Q390-Y393 PolarHBondContact O-OH 3.29Å
394	F	98.7	Very high	95.3	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	174.4	-71.8	-93.7	0	0	0	111.4	F334 L340 K372 P373 F374 T379 Q382 V392	F334-F394 HydrophobicContact CB-CB 4.43Å; F334-F394 HydrophobicContact CB-CD2 3.7Å; F334-F394 HydrophobicContact CB-CE2 4.36Å; F334-F394 HydrophobicContact CB-CG 4.38Å; F334-F394 AromaticContact CD1-CD2 3.57Å; F334-F394 HydrophobicContact CD1-CD2 3.57Å; F334-F394 AromaticContact CD1-CE2 3.92Å; F334-F394 HydrophobicContact CD1-CE2 3.92Å; F334-F394 HydrophobicContact CD2-CD2 4.2Å; F334-F394 HydrophobicContact CD2-CE2 4.04Å; F334-F394 HydrophobicContact CE1-CD2 4.21Å; F334-F394 HydrophobicContact CE1-CE2 4.16Å; F334-F394 HydrophobicContact CE2-CE2 4.26Å; F334-F394 AromaticContact CG-CD2 3.56Å; F334-F394 HydrophobicContact CG-CD2 3.56Å; F334-F394 AromaticContact CG-CE2 3.84Å; F334-F394 HydrophobicContact CG-CE2 3.84Å; F334-F394 HydrophobicContact CZ-CE2 4.31Å; L340-F394 PolarHBondContact N-O 3.05Å; L340-F394 VanDerWaalsContact N-O 3.09Å; K372-F394 HydrophobicContact CB-CD1 3.84Å; K372-F394 HydrophobicContact CB-CE1 3.78Å; K372-F394 HydrophobicContact CB-CZ 4.47Å; K372-F394 HydrophobicContact CD-CE1 4.15Å; K372-F394 HydrophobicContact CD-CZ 4.16Å; K372-F394 CarbonylContact O-C 3.58Å; K372-F394 VanDerWaalsContact O-CA 3.27Å; K372-F394 WeakPolarHBondContact O-CA 3.3Å; P373-F394 WeakPolarHBondContact O-CD1 3.32Å; F374-F394 HydrophobicContact CB-CB 4.18Å; F374-F394 HydrophobicContact CD2-CB 4.27Å; T379-F394 HydrophobicContact CG2-CD1 4.49Å; T379-F394 HydrophobicContact CG2-CD2 3.99Å; T379-F394 HydrophobicContact CG2-CE1 4.43Å; T379-F394 HydrophobicContact CG2-CE2 3.91Å; T379-F394 HydrophobicContact CG2-CG 4.26Å; T379-F394 HydrophobicContact CG2-CZ 4.14Å; T379-F394 WeakPolarHBondContact OG1-CE1 3.33Å; Q382-F394 HydrophobicContact CB-CE2 4.02Å; Q382-F394 HydrophobicContact CB-CZ 4.08Å; Q382-F394 HydrophobicContact CG-CE2 3.93Å; Q382-F394 HydrophobicContact CG-CZ 4.29Å; V392-F394 HydrophobicContact CG1-CE2 4.23Å
395	V	98.8	Very high	95.5	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.6	-177.5	-168.9	0	0	0	0	109.3	L340 K342 I347 L371 K372 F374	L340-V395 HydrophobicContact CB-CG2 4.15Å; L340-V395 HydrophobicContact CD1-CG2 4.39Å; L340-V395 CarbonylContact O-C 3.54Å; L340-V395 VanDerWaalsContact O-CA 3.27Å; L340-V395 WeakPolarHBondContact O-CA 2.86Å; K342-V395 HydrophobicContact CG-CG1 3.67Å; I347-V395 HydrophobicContact CD1-CG2 4.34Å; I347-V395 HydrophobicContact CG2-CG1 4.41Å; I347-V395 HydrophobicContact CG2-CG2 4.49Å; L371-V395 HydrophobicContact CB-CG2 4.13Å; K372-V395 PolarHBondContact O-N 2.91Å; F374-V395 PolarHBondContact N-O 2.84Å
396	A	98.5	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	142.6	170.5	0	0	0	0	0	110.8	L340 C341 K342 Y350 F374 A402	L340-A396 PolarHBondContact O-N 3.36Å; C341-A396 CarbonylContact C-O 3.58Å; C341-A396 VanDerWaalsContact CA-O 3.29Å; C341-A396 WeakPolarHBondContact CA-O 3.05Å; K342-A396 PolarHBondContact N-O 3.05Å; Y350-A396 HydrophobicContact CE1-CB 4.32Å; F374-A396 HydrophobicContact CB-CB 4.44Å; A396-A402 HydrophobicContact CB-CB 4.27Å
397	E	98.1	Very high	96.4	Very high	81 Å²	81	44.7 Å²	44.7	38%	0.379	22%	0.22	S	C	.	.	S	Bend	trans	-71.6	-43	174.1	-61.7	-61.3	144.7	0	0	110.9	K342 D401	K342-E397 VanDerWaalsContact CD-OE2 3.32Å; K342-E397 WeakPolarHBondContact CD-OE2 3.15Å; K342-E397 WeakPolarHBondContact CE-OE1 3.43Å; K342-E397 IonicContact NZ-OE1 2.64Å; K342-E397 PolarHBondContact NZ-OE1 3.26Å; K342-E397 IonicContact NZ-OE2 2.99Å; K342-E397 PolarHBondContact NZ-OE2 3.19Å; E397-D401 HydrophobicContact CB-CB 4.11Å
398	S	98.1	Very high	97.1	Very high	44 Å²	44	46.9 Å²	46.9	31%	0.308	22%	0.221	S	C	.	.			trans	-159.8	167.7	173.4	67.1	0	0	0	0	109.7	E400 D401 A402	S398-E400 VanDerWaalsContact C-N 3.27Å; S398-E400 PolarHBondContact O-N 3.17Å; S398-D401 PolarHBondContact O-N 2.84Å; S398-D401 PolarHBondContact OG-N 2.87Å; S398-A402 WeakPolarHBondContact O-CB 3.41Å; S398-A402 PolarHBondContact O-N 3.45Å
399	F	98.1	Very high	97.6	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-30.9	173.8	-58.7	-38.3	0	0	0	112.1	E212 L300 R305 F306 Y350 K403	E212-F399 HydrophobicContact CB-CE2 4.17Å; E212-F399 HydrophobicContact CG-CE2 3.87Å; L300-F399 HydrophobicContact CD2-CE2 4.47Å; L300-F399 HydrophobicContact CD2-CZ 4.32Å; R305-F399 HydrophobicContact CB-CB 3.95Å; R305-F399 HydrophobicContact CB-CD2 4.31Å; F306-F399 HydrophobicContact CB-CD2 3.9Å; F306-F399 HydrophobicContact CB-CE2 4.05Å; F306-F399 HydrophobicContact CB-CG 4.29Å; F306-F399 AromaticContact CD2-CD1 3.8Å; F306-F399 HydrophobicContact CD2-CD1 3.8Å; F306-F399 HydrophobicContact CD2-CD2 4.28Å; F306-F399 AromaticContact CD2-CE1 3.63Å; F306-F399 HydrophobicContact CD2-CE1 3.63Å; F306-F399 HydrophobicContact CD2-CE2 4.1Å; F306-F399 HydrophobicContact CD2-CG 4.14Å; F306-F399 AromaticContact CD2-CZ 3.78Å; F306-F399 HydrophobicContact CD2-CZ 3.78Å; F306-F399 HydrophobicContact CE2-CE1 4.16Å; Y350-F399 AromaticContact CD1-CE1 3.94Å; Y350-F399 HydrophobicContact CD1-CE1 3.94Å; Y350-F399 AromaticContact CD2-CE1 3.85Å; Y350-F399 HydrophobicContact CD2-CE1 3.85Å; Y350-F399 HydrophobicContact CD2-CZ 4.36Å; Y350-F399 HydrophobicContact CE1-CE1 4.21Å; Y350-F399 HydrophobicContact CE2-CE1 4.14Å; Y350-F399 AromaticContact CG-CE1 3.74Å; Y350-F399 HydrophobicContact CG-CE1 3.74Å; Y350-F399 HydrophobicContact CG-CZ 4.09Å; F399-K403 VanDerWaalsContact O-CB 3.29Å; F399-K403 WeakPolarHBondContact O-CB 3.47Å; F399-K403 PolarHBondContact O-N 3.48Å
400	E	97.6	Very high	97.7	Very high	58 Å²	58	35.9 Å²	35.9	27%	0.271	18%	0.175	S	C	.	.	H	α-helix	trans	-64.4	-47.7	171.1	-70.7	85.4	173.5	0	0	112.8	R305 S398 A402 K403 E404	R305-E400 WeakPolarHBondContact CD-OE1 3.49Å; R305-E400 WeakPolarHBondContact CG-OE1 3.38Å; R305-E400 IonicContact CZ-OE1 3.88Å; R305-E400 IonicContact CZ-OE2 3.85Å; R305-E400 IonicContact NE-OE1 3.02Å; R305-E400 PolarHBondContact NE-OE1 3.33Å; R305-E400 IonicContact NH1-OE1 3.15Å; R305-E400 PolarHBondContact NH1-OE1 3.47Å; R305-E400 IonicContact NH1-OE2 3.28Å; R305-E400 PolarHBondContact NH1-OE2 3.08Å; R305-E400 VanDerWaalsContact NH1-OE2 3.15Å; R305-E400 IonicContact NH2-OE1 2.69Å; S398-E400 VanDerWaalsContact C-N 3.27Å; S398-E400 PolarHBondContact O-N 3.17Å; E400-A402 VanDerWaalsContact C-N 3.33Å; E400-A402 PolarHBondContact O-N 2.61Å; E400-K403 WeakPolarHBondContact O-CB 3.37Å; E400-K403 PolarHBondContact O-N 3.42Å; E400-E404 WeakPolarHBondContact O-CG 3.4Å; E400-E404 PolarHBondContact O-N 3.11Å
401	D	97.8	Very high	97.6	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.262	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-44.1	177	173.5	69.8	0	0	0	111	E397 S398 K403 E404 K405	E397-D401 HydrophobicContact CB-CB 4.11Å; S398-D401 PolarHBondContact O-N 2.84Å; S398-D401 PolarHBondContact OG-N 2.87Å; D401-K403 VanDerWaalsContact C-N 3.35Å; D401-K403 PolarHBondContact O-N 2.95Å; D401-E404 PolarHBondContact O-N 3.41Å; D401-K405 WeakPolarHBondContact O-CB 3.37Å; D401-K405 WeakPolarHBondContact O-CG 3.44Å; D401-K405 PolarHBondContact O-N 3.07Å; D401-K405 WeakPolarHBondContact OD1-CE 3.07Å; D401-K405 IonicContact OD1-NZ 3.59Å; D401-K405 WeakPolarHBondContact OD2-CE 3.49Å; D401-K405 IonicContact OD2-NZ 3.57Å; D401-K405 PolarHBondContact OD2-NZ 2.82Å
402	A	98.2	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-42.8	176.2	0	0	0	0	0	112.1	F309 F374 A396 S398 E400 K405 V406	F309-A402 HydrophobicContact CD2-CB 3.87Å; F309-A402 HydrophobicContact CE2-CB 3.65Å; F309-A402 HydrophobicContact CZ-CB 4.14Å; F374-A402 HydrophobicContact CD1-CB 4.08Å; F374-A402 HydrophobicContact CE1-CB 3.94Å; A396-A402 HydrophobicContact CB-CB 4.27Å; S398-A402 WeakPolarHBondContact O-CB 3.41Å; S398-A402 PolarHBondContact O-N 3.45Å; E400-A402 VanDerWaalsContact C-N 3.33Å; E400-A402 PolarHBondContact O-N 2.61Å; A402-K405 PolarHBondContact O-N 2.67Å; A402-V406 WeakPolarHBondContact O-CG2 3.12Å; A402-V406 PolarHBondContact O-N 3Å
403	K	98	Very high	97.4	Very high	26 Å²	26	41 Å²	41	11%	0.113	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-49	175.5	-177.8	-171.4	68.4	-180	0	112.1	Q308 F309 E312 F399 E400 D401 K405 V406 R407	Q308-K403 HydrophobicContact CB-CD 3.93Å; F309-K403 HydrophobicContact CB-CB 4.2Å; F309-K403 HydrophobicContact CD2-CB 4.25Å; E312-K403 HydrophobicContact CB-CG 4.08Å; E312-K403 HydrophobicContact CG-CG 4.18Å; F399-K403 VanDerWaalsContact O-CB 3.29Å; F399-K403 WeakPolarHBondContact O-CB 3.47Å; F399-K403 PolarHBondContact O-N 3.48Å; E400-K403 WeakPolarHBondContact O-CB 3.37Å; E400-K403 PolarHBondContact O-N 3.42Å; D401-K403 VanDerWaalsContact C-N 3.35Å; D401-K403 PolarHBondContact O-N 2.95Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K403-K405 PolarHBondContact O-N 3.21Å; K403-V406 PolarHBondContact O-N 3.08Å; K403-R407 WeakPolarHBondContact O-CB 3.42Å; K403-R407 PolarHBondContact O-N 2.84Å
404	E	98.1	Very high	97	Very high	88 Å²	88	44.8 Å²	44.8	41%	0.411	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-37.5	179.5	-65.5	-49.9	134	0	0	111.8	E400 D401 R407 K408	E400-E404 WeakPolarHBondContact O-CG 3.4Å; E400-E404 PolarHBondContact O-N 3.11Å; D401-E404 PolarHBondContact O-N 3.41Å; E404-R407 PolarHBondContact O-N 3.24Å; E404-R407 IonicContact OE1-CZ 3.77Å; E404-R407 IonicContact OE1-NH1 3.63Å; E404-R407 PolarHBondContact OE1-NH1 3.19Å; E404-R407 IonicContact OE1-NH2 3.65Å; E404-R407 IonicContact OE2-CZ 2.96Å; E404-R407 IonicContact OE2-NH1 3.76Å; E404-R407 PolarHBondContact OE2-NH1 3.45Å; E404-K408 WeakPolarHBondContact O-CB 3.23Å; E404-K408 PolarHBondContact O-N 2.87Å
405	K	98.4	Very high	96.5	Very high	58 Å²	58	47 Å²	47	25%	0.252	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-44.8	173	-76.7	173.3	177	167.3	0	112.4	F374 P376 D401 A402 K403 K408 F409	F374-K405 HydrophobicContact CD1-CD 4.2Å; F374-K405 HydrophobicContact CE1-CB 4.36Å; F374-K405 PolarHBondContact O-NZ 3.49Å; P376-K405 HydrophobicContact CG-CB 3.92Å; D401-K405 WeakPolarHBondContact O-CB 3.37Å; D401-K405 WeakPolarHBondContact O-CG 3.44Å; D401-K405 PolarHBondContact O-N 3.07Å; D401-K405 WeakPolarHBondContact OD1-CE 3.07Å; D401-K405 IonicContact OD1-NZ 3.59Å; D401-K405 WeakPolarHBondContact OD2-CE 3.49Å; D401-K405 IonicContact OD2-NZ 3.57Å; D401-K405 PolarHBondContact OD2-NZ 2.82Å; A402-K405 PolarHBondContact O-N 2.67Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K403-K405 PolarHBondContact O-N 3.21Å; K405-K408 PolarHBondContact O-N 2.6Å; K405-F409 WeakPolarHBondContact O-CB 3.27Å; K405-F409 PolarHBondContact O-N 3.26Å
406	V	97.4	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-42.2	175.5	168.2	0	0	0	0	111.2	F309 E312 I313 V331 F374 A402 K403 K408 F409 A410	F309-V406 HydrophobicContact CE2-CG2 3.76Å; E312-V406 HydrophobicContact CB-CG1 4.42Å; E312-V406 HydrophobicContact CG-CG1 4.08Å; I313-V406 HydrophobicContact CG1-CG1 4.01Å; I313-V406 HydrophobicContact CG1-CG2 4.29Å; V331-V406 HydrophobicContact CG1-CG2 3.98Å; F374-V406 HydrophobicContact CZ-CG2 4.24Å; A402-V406 WeakPolarHBondContact O-CG2 3.12Å; A402-V406 PolarHBondContact O-N 3Å; K403-V406 PolarHBondContact O-N 3.08Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 3.44Å; V406-F409 WeakPolarHBondContact O-CB 3.18Å; V406-F409 PolarHBondContact O-N 3.03Å; V406-A410 WeakPolarHBondContact O-CB 3.36Å; V406-A410 PolarHBondContact O-N 3.19Å
407	R	95.8	Very high	95.1	Very high	89 Å²	89	51.7 Å²	51.7	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-45.3	175.5	-175.5	176.8	-61.7	139.8	5.1	111.8	E312 K403 E404 A410 T411	E312-R407 HydrophobicContact CG-CB 4.21Å; E312-R407 WeakPolarHBondContact OE1-CB 3.46Å; E312-R407 WeakPolarHBondContact OE1-CG 3.44Å; E312-R407 IonicContact OE1-CZ 3.27Å; E312-R407 IonicContact OE1-NE 3.18Å; E312-R407 PolarHBondContact OE1-NE 2.87Å; E312-R407 IonicContact OE1-NH2 3.23Å; E312-R407 IonicContact OE2-CZ 3.42Å; E312-R407 IonicContact OE2-NE 2.75Å; E312-R407 PolarHBondContact OE2-NE 3.15Å; E312-R407 IonicContact OE2-NH2 3.32Å; E312-R407 PolarHBondContact OE2-NH2 3.41Å; K403-R407 WeakPolarHBondContact O-CB 3.42Å; K403-R407 PolarHBondContact O-N 2.84Å; E404-R407 PolarHBondContact O-N 3.24Å; E404-R407 IonicContact OE1-CZ 3.77Å; E404-R407 IonicContact OE1-NH1 3.63Å; E404-R407 PolarHBondContact OE1-NH1 3.19Å; E404-R407 IonicContact OE1-NH2 3.65Å; E404-R407 IonicContact OE2-CZ 2.96Å; E404-R407 IonicContact OE2-NH1 3.76Å; E404-R407 PolarHBondContact OE2-NH1 3.45Å; R407-A410 WeakPolarHBondContact O-CB 3.49Å; R407-A410 PolarHBondContact O-N 3.23Å; R407-T411 WeakPolarHBondContact O-CG2 3.44Å; R407-T411 PolarHBondContact O-N 3.07Å
408	K	97.4	Very high	94.6	Very high	143 Å²	143	51.2 Å²	51.2	62%	0.622	27%	0.273	S	S	*	.	H	α-helix	trans	-62.5	-42.3	175.2	-174.3	-176.5	176	-169.3	0	111.6	E404 K405 V406 A410 T411	E404-K408 WeakPolarHBondContact O-CB 3.23Å; E404-K408 PolarHBondContact O-N 2.87Å; K405-K408 PolarHBondContact O-N 2.6Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 3.44Å; K408-A410 VanDerWaalsContact C-N 3.31Å; K408-A410 PolarHBondContact O-N 2.89Å; K408-T411 PolarHBondContact O-N 3.25Å; K408-T411 PolarHBondContact O-OG1 2.82Å
409	F	96.9	Very high	94.3	Very high	8 Å²	8	50 Å²	50	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-41	173.7	176.4	-107.1	0	0	0	111.6	Y324 K327 L328 P376 I380 K405 V406 T411 T412	Y324-F409 HydrophobicContact CD1-CZ 4.23Å; Y324-F409 HydrophobicContact CE1-CZ 4.45Å; K327-F409 HydrophobicContact CB-CZ 4.05Å; K327-F409 HydrophobicContact CD-CZ 4.3Å; L328-F409 HydrophobicContact CD2-CD1 4.15Å; L328-F409 HydrophobicContact CD2-CE1 3.9Å; L328-F409 HydrophobicContact CG-CE1 4.33Å; P376-F409 HydrophobicContact CB-CB 3.79Å; P376-F409 HydrophobicContact CB-CD2 4.09Å; P376-F409 HydrophobicContact CB-CG 3.86Å; P376-F409 HydrophobicContact CG-CB 4.26Å; I380-F409 HydrophobicContact CD1-CE2 3.99Å; I380-F409 HydrophobicContact CD1-CZ 4.32Å; I380-F409 HydrophobicContact CG2-CE2 4.39Å; I380-F409 HydrophobicContact CG2-CZ 4.09Å; K405-F409 WeakPolarHBondContact O-CB 3.27Å; K405-F409 PolarHBondContact O-N 3.26Å; V406-F409 WeakPolarHBondContact O-CB 3.18Å; V406-F409 PolarHBondContact O-N 3.03Å; F409-T411 PolarHBondContact O-N 3.33Å; F409-T412 WeakPolarHBondContact O-CB 3.2Å; F409-T412 PolarHBondContact O-N 3.36Å; F409-T412 PolarHBondContact O-OG1 2.89Å
410	A	95.2	Very high	94	Very high	10 Å²	10	52.9 Å²	52.9	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-25.6	179.8	0	0	0	0	0	113.4	A316 V406 R407 K408 T412 I413	A316-A410 HydrophobicContact CB-CB 3.72Å; V406-A410 WeakPolarHBondContact O-CB 3.36Å; V406-A410 PolarHBondContact O-N 3.19Å; R407-A410 WeakPolarHBondContact O-CB 3.49Å; R407-A410 PolarHBondContact O-N 3.23Å; K408-A410 VanDerWaalsContact C-N 3.31Å; K408-A410 PolarHBondContact O-N 2.89Å; A410-T412 PolarHBondContact O-N 3.17Å; A410-I413 HydrophobicContact CB-CD1 4.28Å; A410-I413 WeakPolarHBondContact O-CB 3.31Å; A410-I413 WeakPolarHBondContact O-CG1 3.35Å; A410-I413 PolarHBondContact O-N 3.12Å
411	T	94.4	Very high	93.9	Very high	113 Å²	113	51.3 Å²	51.3	69%	0.693	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-15.1	174.9	71.7	0	0	0	0	113.3	R407 K408 F409	R407-T411 WeakPolarHBondContact O-CG2 3.44Å; R407-T411 PolarHBondContact O-N 3.07Å; K408-T411 PolarHBondContact O-N 3.25Å; K408-T411 PolarHBondContact O-OG1 2.82Å; F409-T411 PolarHBondContact O-N 3.33Å
412	T	95.7	Very high	93.7	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12	176.6	72.6	0	0	0	0	112.9	Y324 F409 A410	Y324-T412 PolarHBondContact OH-O 3.23Å; F409-T412 WeakPolarHBondContact O-CB 3.2Å; F409-T412 PolarHBondContact O-N 3.36Å; F409-T412 PolarHBondContact O-OG1 2.89Å; A410-T412 PolarHBondContact O-N 3.17Å
413	I	95.3	Very high	93.4	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.046	28%	0.284	C	S	.	.	S	Bend	trans	-73.1	123.1	-177.8	-56.7	179.9	0	0	0	108.9	A316 A320 Y324 L328 A410 R415	A316-I413 HydrophobicContact CB-CD1 4.05Å; A316-I413 WeakPolarHBondContact O-CD1 3.39Å; A320-I413 HydrophobicContact CB-CG2 3.72Å; Y324-I413 HydrophobicContact CD1-CB 4.22Å; Y324-I413 HydrophobicContact CD1-CD1 4.45Å; Y324-I413 HydrophobicContact CD1-CG1 3.62Å; Y324-I413 HydrophobicContact CD1-CG2 4.3Å; Y324-I413 HydrophobicContact CE1-CB 4.49Å; Y324-I413 HydrophobicContact CE1-CG1 4.06Å; Y324-I413 HydrophobicContact CG-CG1 4.25Å; Y324-I413 HydrophobicContact CG-CG2 4.12Å; L328-I413 HydrophobicContact CD1-CD1 4.1Å; A410-I413 HydrophobicContact CB-CD1 4.28Å; A410-I413 WeakPolarHBondContact O-CB 3.31Å; A410-I413 WeakPolarHBondContact O-CG1 3.35Å; A410-I413 PolarHBondContact O-N 3.12Å; I413-R415 PolarHBondContact O-N 3.16Å
414	P	91.3	Very high	93	Very high	80 Å²	80	62 Å²	62	52%	0.519	32%	0.315	S	S	.	.			trans	-76.3	98.6	-179	30.9	-32.9	0	0	0	109.6	P321 Y324	P321-P414 HydrophobicContact CG-CG 3.85Å; Y324-P414 HydrophobicContact CD2-CG 4.29Å; Y324-P414 HydrophobicContact CE2-CG 3.81Å
415	R	87.2	Confident	92.6	Very high	52 Å²	52	59.6 Å²	59.6	20%	0.196	31%	0.306	C	S	.	.			trans	-138.9	144.9	170.7	54.9	175.9	-174.6	-169.5	-0.7	110	L315 L318 I413 F417	L315-R415 PolarHBondContact O-NH1 2.92Å; L318-R415 PolarHBondContact O-NH1 2.93Å; I413-R415 PolarHBondContact O-N 3.16Å; R415-F417 WeakPolarHBondContact CG-O 3.41Å; R415-F417 PolarHBondContact NE-O 3.33Å; R415-F417 PolarHBondContact O-N 3.38Å; R415-F417 VanDerWaalsContact O-N 3.09Å
416	P	83.1	Confident	92.5	Very high	93 Å²	93	59.5 Å²	59.5	60%	0.604	31%	0.307	S	S	*	.	S	Bend	trans	-79.2	10.5	-171.4	31.3	-34.2	0	0	0	114.1	V125	V125-P416 HydrophobicContact CG2-CG 3.49Å; V125-P416 VanDerWaalsContact CG2-CG 3.49Å
417	F	85.1	Confident	92.3	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.066	31%	0.311	C	S	.	.	S	Bend	trans	-154.2	163.8	-176.4	50.7	-107.6	0	0	0	111.2	V125 F128 R415 V419 V430 N432	V125-F417 HydrophobicContact CB-CE1 4.39Å; V125-F417 HydrophobicContact CG1-CE1 3.75Å; V125-F417 HydrophobicContact CG1-CZ 3.67Å; V125-F417 HydrophobicContact CG2-CE1 4.13Å; F128-F417 HydrophobicContact CE1-CE1 4.49Å; F128-F417 AromaticContact CE1-CE2 3.98Å; F128-F417 HydrophobicContact CE1-CE2 3.98Å; F128-F417 AromaticContact CE1-CZ 3.54Å; F128-F417 HydrophobicContact CE1-CZ 3.54Å; F128-F417 HydrophobicContact CZ-CE2 4.03Å; F128-F417 AromaticContact CZ-CZ 3.96Å; F128-F417 HydrophobicContact CZ-CZ 3.96Å; R415-F417 WeakPolarHBondContact CG-O 3.41Å; R415-F417 PolarHBondContact NE-O 3.33Å; R415-F417 PolarHBondContact O-N 3.38Å; R415-F417 VanDerWaalsContact O-N 3.09Å; F417-V419 HydrophobicContact CD2-CG1 3.76Å; F417-V419 HydrophobicContact CE2-CG1 3.7Å; F417-V430 HydrophobicContact CB-CG1 3.54Å; F417-V430 HydrophobicContact CD1-CG1 3.89Å; F417-V430 HydrophobicContact CD2-CG1 3.81Å; F417-V430 HydrophobicContact CG-CG1 3.47Å; F417-V430 VanDerWaalsContact CG-CG1 3.47Å; F417-N432 HydrophobicContact CB-CB 3.98Å
418	S	88.1	Confident	92.1	Very high	70 Å²	70	56.3 Å²	56.3	49%	0.49	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	161.9	162.7	-66.8	0	0	0	0	110.3	V430 L431	S418-V430 CarbonylContact O-C 3.52Å; S418-L431 PolarHBondContact N-O 3.27Å; S418-L431 VanDerWaalsContact N-O 3.11Å; S418-L431 PolarHBondContact O-N 2.91Å
419	V	91.6	Very high	91.6	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.7	175.6	-63.4	0	0	0	0	110.3	F128 L315 L318 F417 I428 E429	F128-V419 HydrophobicContact CZ-CG1 4.46Å; L315-V419 HydrophobicContact CB-CG2 4.39Å; L315-V419 HydrophobicContact CD2-CG2 4.14Å; L315-V419 WeakPolarHBondContact O-CG2 3.47Å; L318-V419 HydrophobicContact CB-CG1 4.47Å; L318-V419 HydrophobicContact CB-CG2 4.41Å; L318-V419 HydrophobicContact CD1-CG2 4.31Å; F417-V419 HydrophobicContact CD2-CG1 3.76Å; F417-V419 HydrophobicContact CE2-CG1 3.7Å; V419-I428 HydrophobicContact CB-CG2 3.84Å; V419-I428 HydrophobicContact CG1-CG2 4.01Å; V419-E429 CarbonylContact C-O 3.57Å; V419-E429 WeakPolarHBondContact CA-O 3.35Å
420	R	91.6	Very high	91.1	Very high	68 Å²	68	52.1 Å²	52.1	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.2	173.8	173.9	-176.8	176.3	-149.1	9.1	109.5	I428 E429 L431 L440	R420-I428 WeakPolarHBondContact O-CA 3.48Å; R420-E429 HydrophobicContact CB-CB 4.38Å; R420-E429 IonicContact CZ-OE2 3.8Å; R420-E429 PolarHBondContact N-O 3.14Å; R420-E429 IonicContact NH1-OE2 2.66Å; R420-E429 PolarHBondContact NH1-OE2 3.02Å; R420-E429 VanDerWaalsContact NH1-OE2 3.11Å; R420-E429 PolarHBondContact O-N 3.08Å; R420-L431 HydrophobicContact CB-CD1 4.13Å; R420-L431 HydrophobicContact CB-CG 4.46Å; R420-L440 VanDerWaalsContact CZ-CD1 3.49Å
421	Y	95.6	Very high	90.6	Very high	26 Å²	26	52.7 Å²	52.7	10%	0.102	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.5	169.5	179.7	-110.8	0	0	0	111	F267 P423 I428	F267-Y421 HydrophobicContact CB-CE2 4.41Å; F267-Y421 HydrophobicContact CD1-CD2 4.31Å; F267-Y421 AromaticContact CD1-CE2 3.8Å; F267-Y421 HydrophobicContact CD1-CE2 3.8Å; F267-Y421 HydrophobicContact CE1-CE2 4.49Å; F267-Y421 HydrophobicContact CG-CE2 4.38Å; Y421-P423 HydrophobicContact CD1-CB 4.29Å; Y421-P423 HydrophobicContact CE1-CB 3.84Å; Y421-I428 HydrophobicContact CD2-CD1 3.97Å
422	N	93.1	Very high	89.8	Confident	23 Å²	23	50 Å²	50	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.7	170.5	-173.1	-29	0	0	0	109.8	Y424 T425 Q426 S427 E429	N422-Y424 VanDerWaalsContact C-N 3.33Å; N422-Y424 PolarHBondContact O-N 3.17Å; N422-Y424 WeakPolarHBondContact OD1-CB 3.27Å; N422-Y424 PolarHBondContact OD1-N 3.48Å; N422-Y424 VanDerWaalsContact OD1-N 3.09Å; N422-T425 PolarHBondContact O-N 3.47Å; N422-Q426 WeakPolarHBondContact O-CA 3.43Å; N422-Q426 PolarHBondContact O-N 3.2Å; N422-S427 PolarHBondContact N-O 3.15Å; N422-S427 PolarHBondContact O-N 3.17Å; N422-E429 HydrophobicContact CB-CG 4.3Å; N422-E429 WeakPolarHBondContact CB-OE1 3.5Å; N422-E429 PolarHBondContact ND2-OE1 3.23Å
423	P	92.8	Very high	88.8	Confident	79 Å²	79	49 Å²	49	51%	0.513	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.4	-174.8	29.1	-35.7	0	0	0	113.9	Y421 T425	Y421-P423 HydrophobicContact CD1-CB 4.29Å; Y421-P423 HydrophobicContact CE1-CB 3.84Å; P423-T425 PolarHBondContact O-N 2.92Å
424	Y	89.2	Confident	87.9	Confident	198 Å²	198	54 Å²	54	78%	0.776	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.2	179.6	-64.9	-78.6	0	0	0	112.2	N422	N422-Y424 VanDerWaalsContact C-N 3.33Å; N422-Y424 PolarHBondContact O-N 3.17Å; N422-Y424 WeakPolarHBondContact OD1-CB 3.27Å; N422-Y424 PolarHBondContact OD1-N 3.48Å; N422-Y424 VanDerWaalsContact OD1-N 3.09Å
425	T	89.4	Confident	86.9	Confident	36 Å²	36	54.3 Å²	54.3	22%	0.221	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-6.6	-167.9	75.1	0	0	0	0	111.1	R78 N422 P423 S427	R78-T425 PolarHBondContact NH1-OG1 2.83Å; N422-T425 PolarHBondContact O-N 3.47Å; P423-T425 PolarHBondContact O-N 2.92Å; T425-S427 PolarHBondContact O-N 3.47Å; T425-S427 PolarHBondContact OG1-OG 2.78Å
426	Q	95.7	Very high	86.3	Confident	57 Å²	57	53 Å²	53	27%	0.266	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	40.7	176.6	-47.2	-167.7	-73.9	0	0	111.9	I132 N422	I132-Q426 HydrophobicContact CB-CB 4.05Å; I132-Q426 HydrophobicContact CD1-CB 4.43Å; I132-Q426 HydrophobicContact CG2-CB 3.69Å; I132-Q426 PolarHBondContact N-O 3.01Å; N422-Q426 WeakPolarHBondContact O-CA 3.43Å; N422-Q426 PolarHBondContact O-N 3.2Å
427	S	93.1	Very high	86.2	Confident	13 Å²	13	53.4 Å²	53.4	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.8	-172.7	71.9	0	0	0	0	112.2	K130 D131 N422 T425	K130-S427 CarbonylContact O-C 3.45Å; K130-S427 WeakPolarHBondContact O-CA 3.41Å; K130-S427 WeakPolarHBondContact O-CB 3.23Å; D131-S427 WeakPolarHBondContact OD1-CB 3.35Å; N422-S427 PolarHBondContact N-O 3.15Å; N422-S427 PolarHBondContact O-N 3.17Å; T425-S427 PolarHBondContact O-N 3.47Å; T425-S427 PolarHBondContact OG1-OG 2.78Å
428	I	92.9	Very high	86.1	Confident	9 Å²	9	55.5 Å²	55.5	5%	0.046	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.5	177.7	-58.7	-65.2	0	0	0	109.6	F128 K130 A266 F267 L315 L318 V419 R420 Y421	F128-I428 HydrophobicContact CE2-CG2 3.96Å; K130-I428 PolarHBondContact O-N 2.93Å; A266-I428 HydrophobicContact CB-CD1 4.34Å; F267-I428 HydrophobicContact CE1-CD1 4.35Å; F267-I428 HydrophobicContact CE1-CG1 3.86Å; F267-I428 HydrophobicContact CE2-CD1 4.31Å; F267-I428 HydrophobicContact CE2-CG1 3.93Å; F267-I428 HydrophobicContact CZ-CD1 4.06Å; F267-I428 HydrophobicContact CZ-CG1 3.35Å; L315-I428 HydrophobicContact CD2-CD1 3.91Å; L318-I428 HydrophobicContact CD1-CB 4.39Å; L318-I428 HydrophobicContact CD1-CD1 3.51Å; L318-I428 HydrophobicContact CD1-CG1 3.66Å; L318-I428 HydrophobicContact CD1-CG2 3.9Å; V419-I428 HydrophobicContact CB-CG2 3.84Å; V419-I428 HydrophobicContact CG1-CG2 4.01Å; R420-I428 WeakPolarHBondContact O-CA 3.48Å; Y421-I428 HydrophobicContact CD2-CD1 3.97Å
429	E	87.2	Confident	85.8	Confident	50 Å²	50	54.3 Å²	54.3	23%	0.234	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.7	167.9	-65.1	173.7	179	0	0	108.4	V419 R420 N422 L431	V419-E429 CarbonylContact C-O 3.57Å; V419-E429 WeakPolarHBondContact CA-O 3.35Å; R420-E429 HydrophobicContact CB-CB 4.38Å; R420-E429 IonicContact CZ-OE2 3.8Å; R420-E429 PolarHBondContact N-O 3.14Å; R420-E429 IonicContact NH1-OE2 2.66Å; R420-E429 PolarHBondContact NH1-OE2 3.02Å; R420-E429 VanDerWaalsContact NH1-OE2 3.11Å; R420-E429 PolarHBondContact O-N 3.08Å; N422-E429 HydrophobicContact CB-CG 4.3Å; N422-E429 WeakPolarHBondContact CB-OE1 3.5Å; N422-E429 PolarHBondContact ND2-OE1 3.23Å; E429-L431 HydrophobicContact CB-CD2 4.26Å
430	V	86.2	Confident	85.4	Confident	13 Å²	13	55.8 Å²	55.8	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126	167.7	179.4	0	0	0	0	107	F128 F417 S418 N432 Q436	F128-V430 HydrophobicContact CE2-CG2 4.36Å; F128-V430 HydrophobicContact CZ-CG2 3.84Å; F417-V430 HydrophobicContact CB-CG1 3.54Å; F417-V430 HydrophobicContact CD1-CG1 3.89Å; F417-V430 HydrophobicContact CD2-CG1 3.81Å; F417-V430 HydrophobicContact CG-CG1 3.47Å; F417-V430 VanDerWaalsContact CG-CG1 3.47Å; S418-V430 CarbonylContact O-C 3.52Å; V430-N432 HydrophobicContact CG1-CB 4.46Å; V430-Q436 PolarHBondContact O-NE2 2.88Å; V430-Q436 PolarHBondContact O-OE1 2.78Å
431	L	83.4	Confident	85.3	Confident	22 Å²	22	55.1 Å²	55.1	12%	0.115	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	101.3	-178.6	-51.1	177.7	0	0	0	109.2	S418 R420 E429 Q436 L440	S418-L431 PolarHBondContact N-O 3.27Å; S418-L431 VanDerWaalsContact N-O 3.11Å; S418-L431 PolarHBondContact O-N 2.91Å; R420-L431 HydrophobicContact CB-CD1 4.13Å; R420-L431 HydrophobicContact CB-CG 4.46Å; E429-L431 HydrophobicContact CB-CD2 4.26Å; L431-Q436 VanDerWaalsContact CA-OE1 3.3Å; L431-Q436 HydrophobicContact CD2-CB 3.93Å; L431-L440 HydrophobicContact CD1-CD2 4.05Å
432	N	78.2	Confident	84.9	Confident	57 Å²	57	58.5 Å²	58.5	31%	0.305	31%	0.313	S	S	.	.			trans	-144.9	0	-175.4	66.3	13.1	0	0	0	114.6	H114 F417 V430 Q436	H114-N432 PolarHBondContact CE1-ND2 3.41Å; H114-N432 PolarHBondContact NE2-ND2 3.14Å; F417-N432 HydrophobicContact CB-CB 3.98Å; V430-N432 HydrophobicContact CG1-CB 4.46Å; N432-Q436 PolarHBondContact OD1-OE1 2.71Å
433	N	74.3	Confident	84.6	Confident	42 Å²	42	60 Å²	60	23%	0.225	33%	0.325	C	S	.	.	S	Bend	trans	-137.3	163.2	176.8	65.8	64.1	0	0	0	112.4	Q435 Q436 L437	N433-Q435 VanDerWaalsContact C-N 3.27Å; N433-Q435 PolarHBondContact O-N 3.45Å; N433-Q435 WeakPolarHBondContact OD1-CB 3.43Å; N433-Q435 PolarHBondContact OD1-N 3.3Å; N433-Q436 PolarHBondContact ND2-NE2 3.09Å; N433-Q436 PolarHBondContact ND2-OE1 2.84Å; N433-Q436 VanDerWaalsContact ND2-OE1 3.14Å; N433-Q436 PolarHBondContact O-N 3.18Å; N433-Q436 WeakPolarHBondContact OD1-CG 3.49Å; N433-Q436 PolarHBondContact OD1-N 3.39Å; N433-L437 PolarHBondContact O-N 3.36Å
434	T	76.8	Confident	84.5	Confident	114 Å²	114	59.9 Å²	59.9	70%	0.699	32%	0.322	S	S	*	.	H	α-helix	trans	-56.4	-40.2	-176	-49.8	0	0	0	0	112.6	Q436 L437 T438	T434-Q436 VanDerWaalsContact C-N 3.35Å; T434-Q436 PolarHBondContact O-N 3.16Å; T434-L437 PolarHBondContact O-N 3.05Å; T434-T438 PolarHBondContact O-N 2.88Å; T434-T438 PolarHBondContact O-OG1 3.29Å; T434-T438 VanDerWaalsContact O-OG1 3.05Å
435	Q	71.1	Confident	84.7	Confident	86 Å²	86	57 Å²	57	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-37.8	-176.6	-170.6	60.5	57.2	0	0	112	M79 N433 L437 T438 N439	M79-Q435 HydrophobicContact CB-CG 4.04Å; M79-Q435 HydrophobicContact CE-CG 4.07Å; M79-Q435 WeakPolarHBondContact CE-O 3.38Å; N433-Q435 VanDerWaalsContact C-N 3.27Å; N433-Q435 PolarHBondContact O-N 3.45Å; N433-Q435 WeakPolarHBondContact OD1-CB 3.43Å; N433-Q435 PolarHBondContact OD1-N 3.3Å; Q435-L437 VanDerWaalsContact C-N 3.33Å; Q435-T438 PolarHBondContact O-N 3.19Å; Q435-N439 PolarHBondContact NE2-OD1 3.49Å; Q435-N439 PolarHBondContact O-N 2.84Å; Q435-N439 PolarHBondContact O-OD1 3.33Å
436	Q	73.1	Confident	84.8	Confident	24 Å²	24	58.4 Å²	58.4	11%	0.112	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-38.7	174.9	-71.4	162.6	-14.6	0	0	112.5	M79 V430 L431 N432 N433 T434 L440	M79-Q436 VanDerWaalsContact CE-CA 3.48Å; M79-Q436 HydrophobicContact CE-CB 4.21Å; M79-Q436 HydrophobicContact CE-CG 3.74Å; V430-Q436 PolarHBondContact O-NE2 2.88Å; V430-Q436 PolarHBondContact O-OE1 2.78Å; L431-Q436 VanDerWaalsContact CA-OE1 3.3Å; L431-Q436 HydrophobicContact CD2-CB 3.93Å; N432-Q436 PolarHBondContact OD1-OE1 2.71Å; N433-Q436 PolarHBondContact ND2-NE2 3.09Å; N433-Q436 PolarHBondContact ND2-OE1 2.84Å; N433-Q436 VanDerWaalsContact ND2-OE1 3.14Å; N433-Q436 PolarHBondContact O-N 3.18Å; N433-Q436 WeakPolarHBondContact OD1-CG 3.49Å; N433-Q436 PolarHBondContact OD1-N 3.39Å; T434-Q436 VanDerWaalsContact C-N 3.35Å; T434-Q436 PolarHBondContact O-N 3.16Å; Q436-L440 WeakPolarHBondContact O-CB 3.33Å; Q436-L440 PolarHBondContact O-N 3.27Å; Q436-L440 VanDerWaalsContact O-N 3.07Å
437	L	80.9	Confident	84.6	Confident	102 Å²	102	60.4 Å²	60.4	53%	0.534	34%	0.336	S	S	.	.	H	α-helix	trans	-67.5	-38.7	174.3	-61.5	177.2	0	0	0	111.6	N433 T434 Q435 L440 A441	N433-L437 PolarHBondContact O-N 3.36Å; T434-L437 PolarHBondContact O-N 3.05Å; Q435-L437 VanDerWaalsContact C-N 3.33Å; L437-L440 PolarHBondContact O-N 3.23Å; L437-A441 WeakPolarHBondContact O-CB 3.35Å; L437-A441 PolarHBondContact O-N 3.07Å
438	T	83.7	Confident	84.7	Confident	58 Å²	58	64.2 Å²	64.2	36%	0.356	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-48.7	174.2	-57.4	0	0	0	0	111.6	T434 Q435 L440 A441 D442	T434-T438 PolarHBondContact O-N 2.88Å; T434-T438 PolarHBondContact O-OG1 3.29Å; T434-T438 VanDerWaalsContact O-OG1 3.05Å; Q435-T438 PolarHBondContact O-N 3.19Å; T438-L440 VanDerWaalsContact C-N 3.29Å; T438-L440 PolarHBondContact O-N 3.34Å; T438-A441 WeakPolarHBondContact O-CA 3.29Å; T438-A441 WeakPolarHBondContact O-CB 3.45Å; T438-A441 PolarHBondContact O-N 3.31Å; T438-D442 PolarHBondContact O-N 2.88Å
439	N	80.9	Confident	84.8	Confident	45 Å²	45	65.3 Å²	65.3	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-35.6	179.7	-73.6	25.4	0	0	0	112.3	M79 Q435 D442 C443	M79-N439 HydrophobicContact CE-CB 3.65Å; M79-N439 WeakPolarHBondContact CE-ND2 3.44Å; M79-N439 HydrophobicContact SD-CB 4.47Å; M79-N439 PolarHBondContact SD-ND2 2.84Å; Q435-N439 PolarHBondContact NE2-OD1 3.49Å; Q435-N439 PolarHBondContact O-N 2.84Å; Q435-N439 PolarHBondContact O-OD1 3.33Å; N439-D442 PolarHBondContact O-N 3.21Å; N439-C443 PolarHBondContact O-N 3Å; N439-C443 PolarHBondContact O-SG 3.39Å
440	L	84.5	Confident	85.2	Confident	49 Å²	49	67.8 Å²	67.8	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-44.3	171.9	176.3	59.3	0	0	0	111.1	R420 L431 Q436 L437 T438 D442 C443 V444	R420-L440 VanDerWaalsContact CZ-CD1 3.49Å; L431-L440 HydrophobicContact CD1-CD2 4.05Å; Q436-L440 WeakPolarHBondContact O-CB 3.33Å; Q436-L440 PolarHBondContact O-N 3.27Å; Q436-L440 VanDerWaalsContact O-N 3.07Å; L437-L440 PolarHBondContact O-N 3.23Å; T438-L440 VanDerWaalsContact C-N 3.29Å; T438-L440 PolarHBondContact O-N 3.34Å; L440-D442 VanDerWaalsContact C-N 3.34Å; L440-D442 PolarHBondContact O-N 3.08Å; L440-C443 WeakPolarHBondContact O-CB 3.46Å; L440-C443 PolarHBondContact O-N 3.1Å; L440-V444 HydrophobicContact CD1-CG2 4.31Å; L440-V444 WeakPolarHBondContact O-CG2 3.39Å; L440-V444 PolarHBondContact O-N 2.95Å
441	A	88.8	Confident	85.6	Confident	55 Å²	55	71.7 Å²	71.7	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.7	0	0	0	0	0	111.9	L437 T438 V444 H445	L437-A441 WeakPolarHBondContact O-CB 3.35Å; L437-A441 PolarHBondContact O-N 3.07Å; T438-A441 WeakPolarHBondContact O-CA 3.29Å; T438-A441 WeakPolarHBondContact O-CB 3.45Å; T438-A441 PolarHBondContact O-N 3.31Å; A441-V444 PolarHBondContact O-N 2.92Å; A441-H445 WeakPolarHBondContact O-CB 3.37Å; A441-H445 PolarHBondContact O-N 3.5Å
442	D	88.5	Confident	86.2	Confident	97 Å²	97	73.9 Å²	73.9	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.4	-69.1	-21.1	0	0	0	111.8	T438 N439 L440 H445 S446	T438-D442 PolarHBondContact O-N 2.88Å; N439-D442 PolarHBondContact O-N 3.21Å; L440-D442 VanDerWaalsContact C-N 3.34Å; L440-D442 PolarHBondContact O-N 3.08Å; D442-H445 PolarHBondContact O-N 3.23Å; D442-S446 PolarHBondContact O-N 2.86Å
443	C	86.2	Confident	87.1	Confident	55 Å²	55	77 Å²	77	37%	0.372	43%	0.427	S	S	.	.	H	α-helix	trans	-60.1	-47.9	173.9	-69.7	0	0	0	0	111.3	N439 L440 H445 S446 E447	N439-C443 PolarHBondContact O-N 3Å; N439-C443 PolarHBondContact O-SG 3.39Å; L440-C443 WeakPolarHBondContact O-CB 3.46Å; L440-C443 PolarHBondContact O-N 3.1Å; C443-H445 VanDerWaalsContact C-N 3.31Å; C443-H445 PolarHBondContact O-N 2.83Å; C443-S446 PolarHBondContact O-N 2.97Å; C443-E447 PolarHBondContact O-N 3.24Å; C443-E447 VanDerWaalsContact O-N 3.09Å
444	V	91.2	Very high	88.1	Confident	76 Å²	76	77.3 Å²	77.3	46%	0.461	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-41.5	178	171.4	0	0	0	0	110.6	L440 A441 S446 E447 L448	L440-V444 HydrophobicContact CD1-CG2 4.31Å; L440-V444 WeakPolarHBondContact O-CG2 3.39Å; L440-V444 PolarHBondContact O-N 2.95Å; A441-V444 PolarHBondContact O-N 2.92Å; V444-S446 VanDerWaalsContact C-N 3.34Å; V444-S446 PolarHBondContact O-N 3.38Å; V444-E447 PolarHBondContact O-N 3.35Å; V444-L448 HydrophobicContact CG1-CD1 3.95Å; V444-L448 HydrophobicContact CG1-CG 4.36Å; V444-L448 WeakPolarHBondContact O-CB 3.32Å; V444-L448 WeakPolarHBondContact O-CG 3.39Å; V444-L448 PolarHBondContact O-N 3.14Å
445	H	92.2	Very high	89.1	Confident	137 Å²	137	76.8 Å²	76.8	63%	0.634	43%	0.428	S	S	*	.	H	α-helix	trans	-61.1	-42.2	176.5	-174.7	71.9	0	0	0	112	A441 D442 C443 L448 G449	A441-H445 WeakPolarHBondContact O-CB 3.37Å; A441-H445 PolarHBondContact O-N 3.5Å; D442-H445 PolarHBondContact O-N 3.23Å; C443-H445 VanDerWaalsContact C-N 3.31Å; C443-H445 PolarHBondContact O-N 2.83Å; H445-L448 PolarHBondContact O-N 2.92Å; H445-G449 PolarHBondContact O-N 2.8Å
446	S	91.1	Very high	90.3	Very high	65 Å²	65	81 Å²	81	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-45.1	175.9	-173.3	0	0	0	0	112.4	D442 C443 V444 G449 K450	D442-S446 PolarHBondContact O-N 2.86Å; C443-S446 PolarHBondContact O-N 2.97Å; V444-S446 VanDerWaalsContact C-N 3.34Å; V444-S446 PolarHBondContact O-N 3.38Å; S446-G449 PolarHBondContact O-N 3.32Å; S446-K450 PolarHBondContact O-N 3.11Å; S446-K450 VanDerWaalsContact O-N 3.08Å
447	E	93.1	Very high	91.3	Very high	99 Å²	99	88.3 Å²	88.3	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-66.4	-39.1	177.4	-66.5	-55.8	135.3	0	0	112.3	C443 V444 G449 K450 L451	C443-E447 PolarHBondContact O-N 3.24Å; C443-E447 VanDerWaalsContact O-N 3.09Å; V444-E447 PolarHBondContact O-N 3.35Å; E447-G449 VanDerWaalsContact C-N 3.32Å; E447-G449 PolarHBondContact O-N 2.87Å; E447-K450 PolarHBondContact O-N 3.47Å; E447-K450 IonicContact OE1-NZ 2.63Å; E447-K450 PolarHBondContact OE1-NZ 2.78Å; E447-K450 IonicContact OE2-NZ 3.91Å; E447-L451 PolarHBondContact O-N 2.92Å
448	L	94.5	Very high	91.8	Very high	94 Å²	94	92.8 Å²	92.8	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-62	-39.5	171.9	-75.1	171.7	0	0	0	111.9	V444 H445 K450 L451 C452	V444-L448 HydrophobicContact CG1-CD1 3.95Å; V444-L448 HydrophobicContact CG1-CG 4.36Å; V444-L448 WeakPolarHBondContact O-CB 3.32Å; V444-L448 WeakPolarHBondContact O-CG 3.39Å; V444-L448 PolarHBondContact O-N 3.14Å; H445-L448 PolarHBondContact O-N 2.92Å; L448-K450 PolarHBondContact O-N 2.91Å; L448-L451 WeakPolarHBondContact O-CB 3.21Å; L448-L451 PolarHBondContact O-N 3.37Å; L448-C452 PolarHBondContact O-N 3.05Å; L448-C452 PolarHBondContact O-SG 2.86Å; L448-C452 VanDerWaalsContact O-SG 3.33Å
449	G	95.7	Very high	92.2	Very high	31 Å²	31	94.6 Å²	94.6	32%	0.32	51%	0.507	S	S	.	.	H	α-helix	trans	-57.5	-47.8	173.9	0	0	0	0	0	112.2	H445 S446 E447 L451 C452 E453	H445-G449 PolarHBondContact O-N 2.8Å; S446-G449 PolarHBondContact O-N 3.32Å; E447-G449 VanDerWaalsContact C-N 3.32Å; E447-G449 PolarHBondContact O-N 2.87Å; G449-L451 VanDerWaalsContact C-N 3.34Å; G449-L451 PolarHBondContact O-N 2.9Å; G449-C452 WeakPolarHBondContact O-CB 3.4Å; G449-C452 PolarHBondContact O-N 2.99Å; G449-E453 WeakPolarHBondContact O-CG 3.28Å; G449-E453 PolarHBondContact O-N 2.64Å
450	K	94.4	Very high	92.8	Very high	103 Å²	103	97.2 Å²	97.2	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175.2	-66.5	173.4	-170.9	167.1	0	112.2	S446 E447 L448 E453 A454	S446-K450 PolarHBondContact O-N 3.11Å; S446-K450 VanDerWaalsContact O-N 3.08Å; E447-K450 PolarHBondContact O-N 3.47Å; E447-K450 IonicContact OE1-NZ 2.63Å; E447-K450 PolarHBondContact OE1-NZ 2.78Å; E447-K450 IonicContact OE2-NZ 3.91Å; L448-K450 PolarHBondContact O-N 2.91Å; K450-E453 PolarHBondContact O-N 3.17Å; K450-A454 WeakPolarHBondContact O-CB 3.5Å; K450-A454 PolarHBondContact O-N 3.18Å
451	L	94.8	Very high	93.2	Very high	95 Å²	95	99.8 Å²	99.8	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-46.8	175.6	176.9	62.6	0	0	0	111	E447 L448 G449 E453 A454 L455	E447-L451 PolarHBondContact O-N 2.92Å; L448-L451 WeakPolarHBondContact O-CB 3.21Å; L448-L451 PolarHBondContact O-N 3.37Å; G449-L451 VanDerWaalsContact C-N 3.34Å; G449-L451 PolarHBondContact O-N 2.9Å; L451-E453 VanDerWaalsContact C-N 3.33Å; L451-E453 PolarHBondContact O-N 2.99Å; L451-A454 PolarHBondContact O-N 3.41Å; L451-L455 HydrophobicContact CD1-CD1 4.24Å; L451-L455 HydrophobicContact CD1-CG 4.22Å; L451-L455 HydrophobicContact CG-CD1 4.07Å; L451-L455 HydrophobicContact CG-CG 4.47Å; L451-L455 WeakPolarHBondContact O-CB 3.18Å; L451-L455 VanDerWaalsContact O-CG 3.32Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.39Å
452	C	96.3	Very high	93.5	Very high	67 Å²	67	102.5 Å²	102.5	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-40.6	176.8	-70.4	0	0	0	0	112.3	L448 G449 K456	L448-C452 PolarHBondContact O-N 3.05Å; L448-C452 PolarHBondContact O-SG 2.86Å; L448-C452 VanDerWaalsContact O-SG 3.33Å; G449-C452 WeakPolarHBondContact O-CB 3.4Å; G449-C452 PolarHBondContact O-N 2.99Å; C452-K456 WeakPolarHBondContact O-CG 3.44Å; C452-K456 PolarHBondContact O-N 2.83Å
453	E	96.7	Very high	93.8	Very high	123 Å²	123	102.8 Å²	102.8	58%	0.575	54%	0.542	S	S	*	.	H	α-helix	trans	-64.9	-42.1	174.7	-73.6	-179.2	-176.1	0	0	112.5	G449 K450 L451 K456 K457	G449-E453 WeakPolarHBondContact O-CG 3.28Å; G449-E453 PolarHBondContact O-N 2.64Å; K450-E453 PolarHBondContact O-N 3.17Å; L451-E453 VanDerWaalsContact C-N 3.33Å; L451-E453 PolarHBondContact O-N 2.99Å; E453-K456 PolarHBondContact O-N 2.96Å; E453-K457 WeakPolarHBondContact O-CG 3.43Å; E453-K457 PolarHBondContact O-N 2.74Å
454	A	96.7	Very high	94.3	Very high	48 Å²	48	106 Å²	106	40%	0.397	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-42.5	177.4	0	0	0	0	0	111.6	K450 L451 K456 K457 L458	K450-A454 WeakPolarHBondContact O-CB 3.5Å; K450-A454 PolarHBondContact O-N 3.18Å; L451-A454 PolarHBondContact O-N 3.41Å; A454-K456 VanDerWaalsContact C-N 3.27Å; A454-K456 PolarHBondContact O-N 3.12Å; A454-K457 WeakPolarHBondContact O-CB 3.38Å; A454-K457 PolarHBondContact O-N 2.72Å; A454-L458 PolarHBondContact O-N 3Å
455	L	95.8	Very high	94.5	Very high	104 Å²	104	108.1 Å²	108.1	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-62.5	-31.6	176.5	-75	172.2	0	0	0	113	L451 K457	L451-L455 HydrophobicContact CD1-CD1 4.24Å; L451-L455 HydrophobicContact CD1-CG 4.22Å; L451-L455 HydrophobicContact CG-CD1 4.07Å; L451-L455 HydrophobicContact CG-CG 4.47Å; L451-L455 WeakPolarHBondContact O-CB 3.18Å; L451-L455 VanDerWaalsContact O-CG 3.32Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.39Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 3.36Å
456	K	96.8	Very high	94.7	Very high	175 Å²	175	105.9 Å²	105.9	76%	0.761	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-17.2	175	-72.8	172.4	-177.5	177.3	0	113.6	C452 E453 A454	C452-K456 WeakPolarHBondContact O-CG 3.44Å; C452-K456 PolarHBondContact O-N 2.83Å; E453-K456 PolarHBondContact O-N 2.96Å; A454-K456 VanDerWaalsContact C-N 3.27Å; A454-K456 PolarHBondContact O-N 3.12Å
457	K	95.1	Very high	95	Very high	176 Å²	176	109.3 Å²	109.3	77%	0.765	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-15.7	179.4	-68.9	175.6	-178.8	177	0	112.9	E453 A454 L455	E453-K457 WeakPolarHBondContact O-CG 3.43Å; E453-K457 PolarHBondContact O-N 2.74Å; A454-K457 WeakPolarHBondContact O-CB 3.38Å; A454-K457 PolarHBondContact O-N 2.72Å; L455-K457 VanDerWaalsContact C-N 3.26Å; L455-K457 PolarHBondContact O-N 3.36Å
458	L	90.2	Very high	95.2	Very high	197 Å²	197	110.3 Å²	110.3	100%	1.031	57%	0.571	S	S	*	*			trans	-89.2	0	170.3	-65.1	173.4	0	0	0	109.1	A454	A454-L458 PolarHBondContact O-N 3Å

Retrieved 458 of 458 residues in 172.4 ms (Link to these results)

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