A0A5K4F1W6_SCHMA Loading...

Cellulase domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1W6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 532 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	39.3	Very low	32.6	Very low	247 Å²	247	177 Å²	177	100%	1.217	87%	0.867	S	S	*	*				0	114.6	0	-135.7	166.8	179.1	0	0	107.2
2	R	32.7	Very low	32.8	Very low	236 Å²	236	176.4 Å²	176.4	89%	0.891	87%	0.869	S	S	*	*			trans	-63.3	143.5	174.2	-77.6	177.1	177.1	177.7	-1.3	109.3
3	L	35.6	Very low	32.6	Very low	175 Å²	175	176.8 Å²	176.8	92%	0.916	86%	0.864	S	S	*	*			trans	-153.9	113.4	137.3	-100.6	166.5	0	0	0	109.5
4	T	30.4	Very low	32.5	Very low	117 Å²	117	169.4 Å²	169.4	72%	0.718	86%	0.856	S	S	*	*			trans	-87	143.5	172.3	44.6	0	0	0	0	110.8
5	R	34.7	Very low	32.5	Very low	243 Å²	243	169 Å²	169	92%	0.917	86%	0.857	S	S	*	*			trans	179	109.2	149.9	-99.8	166.5	-174.6	-161.5	1.8	106.7
6	S	29.8	Very low	32.9	Very low	113 Å²	113	165.5 Å²	165.5	79%	0.79	85%	0.853	S	S	*	*				71.5	134.7	64.8	-172.2	0	0	0	0	115.7
7	S	33.2	Very low	33.3	Very low	108 Å²	108	167.2 Å²	167.2	76%	0.755	85%	0.852	S	S	*	*			trans	88.7	100.6	169.3	75.4	0	0	0	0	115.9
8	K	32.6	Very low	33.7	Very low	194 Å²	194	167.1 Å²	167.1	84%	0.843	85%	0.854	S	S	*	*				79.7	100.6	74.7	-89.8	-167.7	175.9	-174.1	0	113.5
9	Q	29.9	Very low	34.1	Very low	185 Å²	185	163.6 Å²	163.6	86%	0.864	84%	0.842	S	S	*	*			trans	28.9	112.4	134.9	-73.3	179	-26.7	0	0	117.8
10	L	32.1	Very low	34.5	Very low	165 Å²	165	159.6 Å²	159.6	86%	0.864	83%	0.827	S	S	*	*			trans	-122.1	112.9	153.8	-109.7	137.6	0	0	0	107.6
11	E	28.6	Very low	35.5	Very low	164 Å²	164	157 Å²	157	77%	0.766	82%	0.817	S	S	*	*			trans	-62.8	128.6	166.6	-66	171.5	152.4	0	0	109.1
12	L	35.1	Very low	36.1	Very low	170 Å²	170	150.8 Å²	150.8	89%	0.89	79%	0.79	S	S	*	*			trans	-127.2	105.2	160.7	-87.7	165.7	0	0	0	107.9
13	F	30.1	Very low	37	Very low	181 Å²	181	142.9 Å²	142.9	79%	0.794	77%	0.768	S	S	*	*			trans	-55.8	133.6	165.9	-83.9	-100.6	0	0	0	110.6
14	G	31.6	Very low	37.8	Very low	73 Å²	73	140.2 Å²	140.2	75%	0.753	75%	0.754	S	S	*	*			trans	-147.5	87.2	167.6	0	0	0	0	0	109.2	S16	G14-S16 PolarHBondContact O-N 3.27Å
15	D	31.3	Very low	38.9	Very low	164 Å²	164	138.7 Å²	138.7	88%	0.877	74%	0.74	S	S	*	*			trans	-56.8	115.7	169.1	-91	-41.3	0	0	0	110.7
16	S	39.1	Very low	39.6	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	73%	0.731	S	S	*	*			trans	-131.9	87.1	156.2	85.8	0	0	0	0	110.8	G14	G14-S16 PolarHBondContact O-N 3.27Å
17	K	39.6	Very low	40.7	Very low	194 Å²	194	136.1 Å²	136.1	84%	0.843	72%	0.721	S	S	*	*			trans	26.2	101.6	146.2	-67.9	-179.5	177.7	177.2	0	116.6	T19	K17-T19 PolarHBondContact O-N 2.64Å
18	N	40.5	Very low	41.6	Very low	165 Å²	165	133.3 Å²	133.3	88%	0.882	70%	0.702	S	S	*	*			trans	-34.5	104.2	153	-75.7	-29.3	0	0	0	111.9	P20	N18-P20 WeakPolarHBondContact O-CD 3.47Å
19	T	41.1	Very low	42.1	Very low	101 Å²	101	132.2 Å²	132.2	62%	0.62	69%	0.692	S	S	*	*			trans	-83.4	115.9	158	-44.1	0	0	0	0	105.8	K17 V21	K17-T19 PolarHBondContact O-N 2.64Å; T19-V21 PolarHBondContact O-N 2.98Å
20	P	43.3	Very low	43.4	Very low	83 Å²	83	128 Å²	128	54%	0.539	67%	0.674	S	S	.	*			trans	-62.3	131.9	-173.8	-18.8	30.2	0	0	0	110.1	N18 N22 T23	N18-P20 WeakPolarHBondContact O-CD 3.47Å; P20-N22 PolarHBondContact O-N 3.2Å; P20-T23 PolarHBondContact O-N 3.1Å; P20-T23 PolarHBondContact O-OG1 3.38Å
21	V	56	Low	44	Very low	105 Å²	105	125.7 Å²	125.7	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-47.7	-25.1	-180	177	0	0	0	0	113.1	T19 T23 L24 L25	T19-V21 PolarHBondContact O-N 2.98Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.12Å; V21-L24 PolarHBondContact O-N 3.33Å; V21-L25 HydrophobicContact CG1-CD1 3.89Å; V21-L25 PolarHBondContact O-N 3.44Å; V21-L25 VanDerWaalsContact O-N 3.13Å
22	N	50.5	Low	45.1	Very low	118 Å²	118	122.1 Å²	122.1	63%	0.631	65%	0.646	S	S	*	*	H	α-helix	trans	-62.1	-29.4	174.6	-83.4	-11.9	0	0	0	115	P20 R26	P20-N22 PolarHBondContact O-N 3.2Å; N22-R26 WeakPolarHBondContact O-CG 3.39Å; N22-R26 PolarHBondContact O-N 3.23Å; N22-R26 VanDerWaalsContact O-N 3.14Å
23	T	52.8	Low	45.6	Very low	70 Å²	70	119.1 Å²	119.1	43%	0.429	63%	0.63	S	S	.	*	H	α-helix	trans	-75.6	-38.9	179.4	-33.2	0	0	0	0	111.3	P20 V21 R26 L27	P20-T23 PolarHBondContact O-N 3.1Å; P20-T23 PolarHBondContact O-OG1 3.38Å; V21-T23 VanDerWaalsContact C-N 3.32Å; V21-T23 PolarHBondContact O-N 3.12Å; T23-R26 PolarHBondContact O-N 3.19Å; T23-L27 WeakPolarHBondContact O-CD1 3.45Å; T23-L27 WeakPolarHBondContact O-CG 3.11Å; T23-L27 PolarHBondContact O-N 2.68Å; T23-L27 VanDerWaalsContact O-N 3.1Å
24	L	51.4	Low	46.2	Very low	119 Å²	119	114.4 Å²	114.4	62%	0.623	61%	0.613	S	S	*	*	H	α-helix	trans	-65.1	-42.1	174.9	-86.3	148.5	0	0	0	111.6	V21 L27 S28	V21-L24 PolarHBondContact O-N 3.33Å; L24-L27 PolarHBondContact O-N 2.93Å; L24-S28 PolarHBondContact O-N 3.23Å; L24-S28 PolarHBondContact O-OG 3.34Å
25	L	53.9	Low	46.7	Very low	84 Å²	84	115.9 Å²	115.9	44%	0.44	60%	0.603	S	S	.	*	H	α-helix	trans	-62.7	-44.7	175.4	-79.8	158.4	0	0	0	111.8	V21 L27 S28 W29	V21-L25 HydrophobicContact CG1-CD1 3.89Å; V21-L25 PolarHBondContact O-N 3.44Å; V21-L25 VanDerWaalsContact O-N 3.13Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 2Å; L25-S28 WeakPolarHBondContact CA-OG 3.37Å; L25-S28 PolarHBondContact O-N 3.2Å; L25-S28 PolarHBondContact O-OG 3.19Å; L25-W29 VanDerWaalsContact O-CD1 3.23Å; L25-W29 PolarHBondContact O-N 3.22Å; L25-W29 VanDerWaalsContact O-N 3.09Å
26	R	50	Low	47.1	Very low	192 Å²	192	115 Å²	115	73%	0.725	59%	0.592	S	S	*	*	H	α-helix	trans	-62.1	-39.5	177.1	-77.9	-175.9	178.7	-165.3	-0.1	112.9	N22 T23 W29 I30	N22-R26 WeakPolarHBondContact O-CG 3.39Å; N22-R26 PolarHBondContact O-N 3.23Å; N22-R26 VanDerWaalsContact O-N 3.14Å; T23-R26 PolarHBondContact O-N 3.19Å; R26-W29 PolarHBondContact O-N 3.22Å; R26-I30 VanDerWaalsContact O-CG1 3.29Å; R26-I30 WeakPolarHBondContact O-CG1 3.01Å; R26-I30 PolarHBondContact O-N 3.47Å
27	L	53	Low	47.1	Very low	110 Å²	110	113 Å²	113	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-65	-40.2	176.2	-77.9	158.3	0	0	0	112	T23 L24 L25 I30 M31	T23-L27 WeakPolarHBondContact O-CD1 3.45Å; T23-L27 WeakPolarHBondContact O-CG 3.11Å; T23-L27 PolarHBondContact O-N 2.68Å; T23-L27 VanDerWaalsContact O-N 3.1Å; L24-L27 PolarHBondContact O-N 2.93Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 2Å; L27-I30 PolarHBondContact O-N 3.33Å; L27-M31 WeakPolarHBondContact O-CB 3.27Å; L27-M31 PolarHBondContact O-N 3.49Å
28	S	52.2	Low	47	Very low	50 Å²	50	110.2 Å²	110.2	35%	0.35	56%	0.563	S	S	.	*	H	α-helix	trans	-64.8	-38.6	175.5	49.2	0	0	0	0	113.3	L24 L25 M31 I32	L24-S28 PolarHBondContact O-N 3.23Å; L24-S28 PolarHBondContact O-OG 3.34Å; L25-S28 WeakPolarHBondContact CA-OG 3.37Å; L25-S28 PolarHBondContact O-N 3.2Å; L25-S28 PolarHBondContact O-OG 3.19Å; S28-M31 PolarHBondContact O-N 3.13Å; S28-I32 WeakPolarHBondContact O-CD1 3.43Å; S28-I32 VanDerWaalsContact O-CG1 3.27Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 3.41Å
29	W	43.2	Very low	47	Very low	170 Å²	170	110.5 Å²	110.5	64%	0.644	55%	0.552	S	S	*	*	H	α-helix	trans	-66.9	-41.8	175.7	-83.5	97.5	0	0	0	112.3	L25 R26 M31 I32 L33	L25-W29 VanDerWaalsContact O-CD1 3.23Å; L25-W29 PolarHBondContact O-N 3.22Å; L25-W29 VanDerWaalsContact O-N 3.09Å; R26-W29 PolarHBondContact O-N 3.22Å; W29-M31 VanDerWaalsContact C-N 3.32Å; W29-M31 PolarHBondContact O-N 3.12Å; W29-I32 PolarHBondContact O-N 3.05Å; W29-L33 WeakPolarHBondContact O-CB 2.97Å; W29-L33 PolarHBondContact O-N 3.09Å
30	I	55.5	Low	46.9	Very low	96 Å²	96	110.3 Å²	110.3	49%	0.492	55%	0.547	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175.3	-67.2	165.5	0	0	0	110.4	R26 L27 L33 L34	R26-I30 VanDerWaalsContact O-CG1 3.29Å; R26-I30 WeakPolarHBondContact O-CG1 3.01Å; R26-I30 PolarHBondContact O-N 3.47Å; L27-I30 PolarHBondContact O-N 3.33Å; I30-L33 PolarHBondContact O-N 3.34Å; I30-L34 HydrophobicContact CG2-CD1 3.64Å; I30-L34 HydrophobicContact CG2-CG 4.24Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 VanDerWaalsContact O-CG 3.23Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 2.89Å
31	M	45	Very low	46.8	Very low	118 Å²	118	113.6 Å²	113.6	58%	0.581	56%	0.555	S	S	*	*	H	α-helix	trans	-68.9	-37.2	180	-153.2	179.7	81	0	0	112.8	L27 S28 W29 L34 L35	L27-M31 WeakPolarHBondContact O-CB 3.27Å; L27-M31 PolarHBondContact O-N 3.49Å; S28-M31 PolarHBondContact O-N 3.13Å; W29-M31 VanDerWaalsContact C-N 3.32Å; W29-M31 PolarHBondContact O-N 3.12Å; M31-L34 PolarHBondContact O-N 3.36Å; M31-L35 HydrophobicContact CE-CD1 4.42Å; M31-L35 HydrophobicContact CG-CD1 4.49Å; M31-L35 WeakPolarHBondContact O-CB 3.33Å; M31-L35 PolarHBondContact O-N 2.96Å
32	I	52	Low	46.6	Very low	88 Å²	88	112.2 Å²	112.2	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-39	174.7	-67.6	165	0	0	0	111.2	S28 W29 K36	S28-I32 WeakPolarHBondContact O-CD1 3.43Å; S28-I32 VanDerWaalsContact O-CG1 3.27Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 3.41Å; W29-I32 PolarHBondContact O-N 3.05Å; I32-K36 PolarHBondContact O-N 2.64Å; I32-K36 VanDerWaalsContact O-N 3.12Å
33	L	45.6	Very low	47.5	Very low	107 Å²	107	112.1 Å²	112.1	56%	0.56	55%	0.546	S	S	*	.	H	α-helix	trans	-66.2	-44.3	173.5	-99.4	138.3	0	0	0	111.4	W29 I30 K36 V37	W29-L33 WeakPolarHBondContact O-CB 2.97Å; W29-L33 PolarHBondContact O-N 3.09Å; I30-L33 PolarHBondContact O-N 3.34Å; L33-K36 PolarHBondContact O-N 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.27Å; L33-V37 WeakPolarHBondContact O-CG2 3.25Å; L33-V37 PolarHBondContact O-N 3.46Å
34	L	42.9	Very low	49.1	Very low	83 Å²	83	110.6 Å²	110.6	44%	0.435	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176	-74.2	166.1	0	0	0	111.7	I30 M31 K36 V37 F38	I30-L34 HydrophobicContact CG2-CD1 3.64Å; I30-L34 HydrophobicContact CG2-CG 4.24Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 VanDerWaalsContact O-CG 3.23Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 2.89Å; M31-L34 PolarHBondContact O-N 3.36Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.93Å; L34-V37 PolarHBondContact O-N 2.81Å; L34-F38 HydrophobicContact CB-CD2 4.35Å; L34-F38 HydrophobicContact CB-CE2 4.34Å; L34-F38 HydrophobicContact CD2-CE2 4.09Å; L34-F38 WeakPolarHBondContact O-CD2 3.29Å; L34-F38 PolarHBondContact O-N 3.26Å
35	L	41.6	Very low	51.1	Low	103 Å²	103	106.8 Å²	106.8	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-37.9	175.4	-89.6	153.6	0	0	0	112.4	M31 Y39	M31-L35 HydrophobicContact CE-CD1 4.42Å; M31-L35 HydrophobicContact CG-CD1 4.49Å; M31-L35 WeakPolarHBondContact O-CB 3.33Å; M31-L35 PolarHBondContact O-N 2.96Å; L35-Y39 WeakPolarHBondContact O-CB 3.43Å; L35-Y39 PolarHBondContact O-N 3.08Å; L35-Y39 VanDerWaalsContact O-N 3.16Å
36	K	39.5	Very low	53.2	Low	146 Å²	146	103 Å²	103	64%	0.635	50%	0.503	S	S	*	.	H	α-helix	trans	-71.1	-36.5	174.6	-76.9	-174.8	176.6	-174.1	0	113.1	I32 L33 L34 L40	I32-K36 PolarHBondContact O-N 2.64Å; I32-K36 VanDerWaalsContact O-N 3.12Å; L33-K36 PolarHBondContact O-N 3.43Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.93Å; K36-L40 PolarHBondContact O-N 3.08Å
37	V	39.7	Very low	55.5	Low	70 Å²	70	96.6 Å²	96.6	42%	0.424	49%	0.485	S	S	.	.	H	α-helix	trans	-69.6	-44.9	178.6	173.7	0	0	0	0	110.9	L33 L34 Y39 L40 E41	L33-V37 VanDerWaalsContact O-CG2 3.27Å; L33-V37 WeakPolarHBondContact O-CG2 3.25Å; L33-V37 PolarHBondContact O-N 3.46Å; L34-V37 PolarHBondContact O-N 2.81Å; V37-Y39 VanDerWaalsContact C-N 3.34Å; V37-Y39 PolarHBondContact O-N 3.39Å; V37-L40 PolarHBondContact O-N 2.85Å; V37-E41 PolarHBondContact O-N 2.9Å; V37-E41 VanDerWaalsContact O-N 3.1Å
38	F	36.4	Very low	57.6	Low	137 Å²	137	91.5 Å²	91.5	60%	0.601	46%	0.458	S	S	*	.	H	α-helix	trans	-67.3	-30.9	176.3	-75.7	-66.8	0	0	0	113.2	L34 A42	L34-F38 HydrophobicContact CB-CD2 4.35Å; L34-F38 HydrophobicContact CB-CE2 4.34Å; L34-F38 HydrophobicContact CD2-CE2 4.09Å; L34-F38 WeakPolarHBondContact O-CD2 3.29Å; L34-F38 PolarHBondContact O-N 3.26Å; F38-A42 WeakPolarHBondContact O-CB 3.46Å; F38-A42 PolarHBondContact O-N 2.77Å
39	Y	40.9	Very low	59.7	Low	170 Å²	170	91.9 Å²	91.9	67%	0.667	46%	0.456	S	S	*	.	H	α-helix	trans	-73.1	-27.9	176.4	-127.1	-91	0	0	0	113.4	L35 V37	L35-Y39 WeakPolarHBondContact O-CB 3.43Å; L35-Y39 PolarHBondContact O-N 3.08Å; L35-Y39 VanDerWaalsContact O-N 3.16Å; V37-Y39 VanDerWaalsContact C-N 3.34Å; V37-Y39 PolarHBondContact O-N 3.39Å
40	L	40.7	Very low	61.8	Low	98 Å²	98	86.7 Å²	86.7	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-79.7	-40.5	174.6	-103.3	88.6	0	0	0	112.1	K36 V37 A42 R43 Y228	K36-L40 PolarHBondContact O-N 3.08Å; V37-L40 PolarHBondContact O-N 2.85Å; L40-A42 VanDerWaalsContact C-N 3.27Å; L40-A42 PolarHBondContact O-N 2.81Å; L40-R43 PolarHBondContact O-N 3.24Å; L40-Y228 HydrophobicContact CD2-CD1 4.16Å; L40-Y228 HydrophobicContact CD2-CE1 3.66Å; L40-Y228 HydrophobicContact CG-CD1 4.43Å; L40-Y228 HydrophobicContact CG-CE1 3.97Å
41	E	41.1	Very low	63.5	Low	152 Å²	152	89.5 Å²	89.5	71%	0.71	46%	0.457	S	S	*	.	H	α-helix	trans	-69.1	-22.8	179.2	-77.2	-175.8	162.5	0	0	113.4	V37	V37-E41 PolarHBondContact O-N 2.9Å; V37-E41 VanDerWaalsContact O-N 3.1Å
42	A	51.3	Low	65.7	Low	76 Å²	76	85.9 Å²	85.9	63%	0.628	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.5	-179.9	0	0	0	0	0	114.9	F38 L40 G44	F38-A42 WeakPolarHBondContact O-CB 3.46Å; F38-A42 PolarHBondContact O-N 2.77Å; L40-A42 VanDerWaalsContact C-N 3.27Å; L40-A42 PolarHBondContact O-N 2.81Å; A42-G44 PolarHBondContact O-N 2.85Å; A42-G44 VanDerWaalsContact O-N 3.16Å
43	R	69.9	Low	67.8	Low	115 Å²	115	82 Å²	82	43%	0.434	42%	0.424	S	S	.	.			trans	-82.3	96	178.8	-80.1	-174	168.4	159.4	-3.6	110.5	L40 Y228	L40-R43 PolarHBondContact O-N 3.24Å; R43-Y228 HydrophobicContact CB-CD2 4.21Å
44	G	85.1	Confident	70.3	Confident	38 Å²	38	78.9 Å²	78.9	39%	0.392	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.3	156.2	167.3	0	0	0	0	0	111.7	A42 S58	A42-G44 PolarHBondContact O-N 2.85Å; A42-G44 VanDerWaalsContact O-N 3.16Å; G44-S58 PolarHBondContact N-OG 2.82Å; G44-S58 VanDerWaalsContact N-OG 3.13Å; G44-S58 PolarHBondContact O-OG 2.84Å
45	K	94.6	Very high	72.9	Confident	39 Å²	39	75.2 Å²	75.2	17%	0.17	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-59.2	148.7	177.9	-68.4	-75.4	-173.9	164.3	0	111.2	G225 K227 V230 D277 T278	K45-G225 VanDerWaalsContact CE-O 3.28Å; K45-G225 WeakPolarHBondContact CE-O 3.27Å; K45-G225 PolarHBondContact NZ-O 3.16Å; K45-K227 PolarHBondContact NZ-O 3.01Å; K45-V230 PolarHBondContact NZ-O 2.91Å; K45-D277 HydrophobicContact CB-CB 4.28Å; K45-D277 HydrophobicContact CG-CB 3.95Å; K45-T278 WeakPolarHBondContact CE-OG1 3.43Å; K45-T278 PolarHBondContact NZ-OG1 2.91Å
46	V	97.5	Very high	75.6	Confident	6 Å²	6	71.3 Å²	71.3	4%	0.036	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-66.8	137.2	168.1	175.4	0	0	0	0	108.6	F55 V56 F65 Y136 L231 L279	V46-F55 HydrophobicContact CG1-CB 3.83Å; V46-F55 HydrophobicContact CG1-CD1 3.99Å; V46-F55 HydrophobicContact CG1-CG 4.42Å; V46-V56 CarbonylContact C-O 3.47Å; V46-V56 WeakPolarHBondContact CA-O 3.35Å; V46-F65 HydrophobicContact CG1-CZ 4.42Å; V46-F65 HydrophobicContact CG2-CZ 4.35Å; V46-Y136 HydrophobicContact CG2-CE1 3.93Å; V46-L231 HydrophobicContact CB-CD1 3.77Å; V46-L231 HydrophobicContact CG1-CD1 3.87Å; V46-L231 HydrophobicContact CG2-CD1 4.08Å; V46-L279 HydrophobicContact CG1-CD1 4.33Å
47	T	97.6	Very high	78.2	Confident	57 Å²	57	65.6 Å²	65.6	35%	0.35	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	175.9	176.7	59.8	0	0	0	0	109.9	F55 V56	T47-F55 CarbonylContact O-C 3.56Å; T47-F55 WeakPolarHBondContact O-CA 3.35Å; T47-V56 PolarHBondContact N-O 2.89Å; T47-V56 PolarHBondContact O-N 2.98Å; T47-V56 PolarHBondContact OG1-O 2.83Å
48	I	98.2	Very high	80.7	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.1	171.9	-54.5	-57.1	0	0	0	109.9	D50 Y54 F55 L279 K316 V319	I48-D50 PolarHBondContact O-N 3.19Å; I48-Y54 WeakPolarHBondContact CA-O 3.39Å; I48-F55 HydrophobicContact CD1-CD1 3.44Å; I48-F55 VanDerWaalsContact CD1-CD1 3.44Å; I48-F55 HydrophobicContact CD1-CE1 3.61Å; I48-F55 HydrophobicContact CD1-CG 4.01Å; I48-F55 HydrophobicContact CD1-CZ 4.25Å; I48-L279 HydrophobicContact CD1-CD1 4.17Å; I48-L279 HydrophobicContact CD1-CD2 4.41Å; I48-L279 HydrophobicContact CG1-CD2 4.08Å; I48-K316 PolarHBondContact N-O 2.87Å; I48-K316 WeakPolarHBondContact O-CA 3.07Å; I48-K316 WeakPolarHBondContact O-CB 3.45Å; I48-K316 WeakPolarHBondContact O-CG 3.48Å; I48-V319 HydrophobicContact CD1-CG2 3.87Å; I48-V319 HydrophobicContact CG1-CG2 4.19Å
49	D	95.3	Very high	83.3	Confident	58 Å²	58	64.8 Å²	64.8	31%	0.31	35%	0.346	S	S	.	.			trans	-69.9	118.9	166.4	-177.8	-96.7	0	0	0	110	D51 T52 G53 Y54 V56	D49-D51 VanDerWaalsContact C-N 3.25Å; D49-D51 PolarHBondContact O-N 2.89Å; D49-D51 PolarHBondContact OD1-N 2.95Å; D49-T52 WeakPolarHBondContact CB-OG1 3Å; D49-T52 VanDerWaalsContact CG-OG1 3.28Å; D49-T52 PolarHBondContact O-N 2.73Å; D49-T52 WeakPolarHBondContact OD1-CB 3.44Å; D49-T52 WeakPolarHBondContact OD1-CG2 3.38Å; D49-T52 PolarHBondContact OD1-N 3.1Å; D49-T52 PolarHBondContact OD1-OG1 3.01Å; D49-G53 VanDerWaalsContact O-CA 3.29Å; D49-G53 WeakPolarHBondContact O-CA 3.46Å; D49-G53 PolarHBondContact O-N 2.79Å; D49-Y54 PolarHBondContact N-O 2.87Å; D49-V56 HydrophobicContact CB-CG2 3.81Å
50	D	88.6	Confident	85.7	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.1	-170.2	-159.6	22.1	0	0	0	112.9	I48 R315 K316	I48-D50 PolarHBondContact O-N 3.19Å; D50-R315 WeakPolarHBondContact OD1-CB 3.2Å; D50-R315 WeakPolarHBondContact OD1-CD 3.36Å; D50-K316 HydrophobicContact CB-CG 4.08Å
51	D	89.3	Confident	88.4	Confident	154 Å²	154	55 Å²	55	82%	0.824	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-39.5	-178.3	-66.9	-33.5	0	0	0	111.9	D49	D49-D51 VanDerWaalsContact C-N 3.25Å; D49-D51 PolarHBondContact O-N 2.89Å; D49-D51 PolarHBondContact OD1-N 2.95Å
52	T	92.4	Very high	91.1	Very high	43 Å²	43	48.7 Å²	48.7	26%	0.264	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-22.3	-172.5	61.6	0	0	0	0	114.2	D49 Y54	D49-T52 WeakPolarHBondContact CB-OG1 3Å; D49-T52 VanDerWaalsContact CG-OG1 3.28Å; D49-T52 PolarHBondContact O-N 2.73Å; D49-T52 WeakPolarHBondContact OD1-CB 3.44Å; D49-T52 WeakPolarHBondContact OD1-CG2 3.38Å; D49-T52 PolarHBondContact OD1-N 3.1Å; D49-T52 PolarHBondContact OD1-OG1 3.01Å; T52-Y54 VanDerWaalsContact C-N 3.26Å; T52-Y54 HydrophobicContact CG2-CD2 4.08Å; T52-Y54 HydrophobicContact CG2-CE2 4.21Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.32Å; T52-Y54 PolarHBondContact OG1-N 2.86Å
53	G	96	Very high	93.3	Very high	6 Å²	6	46 Å²	46	6%	0.062	26%	0.259	C	S	.	.			trans	74.2	12.5	-172.2	0	0	0	0	0	114.1	D49 G367 G368	D49-G53 VanDerWaalsContact O-CA 3.29Å; D49-G53 WeakPolarHBondContact O-CA 3.46Å; D49-G53 PolarHBondContact O-N 2.79Å; G53-G367 VanDerWaalsContact CA-O 3.23Å; G53-G367 WeakPolarHBondContact CA-O 3.15Å; G53-G368 VanDerWaalsContact O-CA 3.3Å; G53-G368 WeakPolarHBondContact O-CA 3.19Å
54	Y	97.4	Very high	94.7	Very high	41 Å²	41	41 Å²	41	16%	0.161	24%	0.241	C	C	.	.			trans	-79.4	149.7	177.9	-67	-46.3	0	0	0	112.4	I48 D49 T52 I62 F402	I48-Y54 WeakPolarHBondContact CA-O 3.39Å; D49-Y54 PolarHBondContact N-O 2.87Å; T52-Y54 VanDerWaalsContact C-N 3.26Å; T52-Y54 HydrophobicContact CG2-CD2 4.08Å; T52-Y54 HydrophobicContact CG2-CE2 4.21Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.32Å; T52-Y54 PolarHBondContact OG1-N 2.86Å; Y54-I62 HydrophobicContact CD2-CD1 3.56Å; Y54-I62 HydrophobicContact CD2-CG1 4.38Å; Y54-I62 HydrophobicContact CD2-CG2 4.5Å; Y54-I62 HydrophobicContact CE2-CD1 4.33Å; Y54-I62 HydrophobicContact CG-CD1 4.14Å; Y54-I62 HydrophobicContact CG-CG2 4.15Å; Y54-F402 HydrophobicContact CE1-CB 3.9Å
55	F	98.5	Very high	95.3	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.4	169.7	-61.5	-89.5	0	0	0	110	V46 T47 I48 I62 K63 F65 L231 L279 F281 V319 R369 F370	V46-F55 HydrophobicContact CG1-CB 3.83Å; V46-F55 HydrophobicContact CG1-CD1 3.99Å; V46-F55 HydrophobicContact CG1-CG 4.42Å; T47-F55 CarbonylContact O-C 3.56Å; T47-F55 WeakPolarHBondContact O-CA 3.35Å; I48-F55 HydrophobicContact CD1-CD1 3.44Å; I48-F55 VanDerWaalsContact CD1-CD1 3.44Å; I48-F55 HydrophobicContact CD1-CE1 3.61Å; I48-F55 HydrophobicContact CD1-CG 4.01Å; I48-F55 HydrophobicContact CD1-CZ 4.25Å; F55-I62 CarbonylContact O-C 3.6Å; F55-I62 VanDerWaalsContact O-CA 3.26Å; F55-I62 WeakPolarHBondContact O-CA 3.4Å; F55-K63 HydrophobicContact CB-CB 4.03Å; F55-K63 PolarHBondContact O-N 3.12Å; F55-F65 HydrophobicContact CB-CD2 4.45Å; F55-F65 HydrophobicContact CB-CE2 3.66Å; F55-F65 HydrophobicContact CD1-CD2 4.46Å; F55-F65 AromaticContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD2-CD2 4.09Å; F55-F65 HydrophobicContact CD2-CE2 4.06Å; F55-F65 HydrophobicContact CG-CD2 4.09Å; F55-F65 AromaticContact CG-CE2 3.58Å; F55-F65 HydrophobicContact CG-CE2 3.58Å; F55-L231 HydrophobicContact CD1-CD1 4.47Å; F55-L279 HydrophobicContact CD1-CD1 3.78Å; F55-L279 HydrophobicContact CE1-CD1 3.71Å; F55-F281 HydrophobicContact CE1-CZ 4.16Å; F55-F281 HydrophobicContact CZ-CZ 4.39Å; F55-V319 HydrophobicContact CE1-CG1 4.38Å; F55-V319 HydrophobicContact CE1-CG2 3.72Å; F55-V319 HydrophobicContact CZ-CG1 3.86Å; F55-V319 HydrophobicContact CZ-CG2 4.02Å; F55-R369 WeakPolarHBondContact CE2-O 3.27Å; F55-F370 HydrophobicContact CE1-CD2 4.42Å; F55-F370 AromaticContact CE2-CD2 3.96Å; F55-F370 HydrophobicContact CE2-CD2 3.96Å; F55-F370 HydrophobicContact CZ-CB 4.24Å; F55-F370 AromaticContact CZ-CD2 3.62Å; F55-F370 HydrophobicContact CZ-CD2 3.62Å; F55-F370 HydrophobicContact CZ-CG 4.41Å
56	V	97.4	Very high	95.5	Very high	21 Å²	21	37.4 Å²	37.4	13%	0.127	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.8	-177.5	-177.7	0	0	0	0	110	V46 T47 D49 G60 F61 I62	V46-V56 CarbonylContact C-O 3.47Å; V46-V56 WeakPolarHBondContact CA-O 3.35Å; T47-V56 PolarHBondContact N-O 2.89Å; T47-V56 PolarHBondContact O-N 2.98Å; T47-V56 PolarHBondContact OG1-O 2.83Å; D49-V56 HydrophobicContact CB-CG2 3.81Å; V56-G60 VanDerWaalsContact CG1-CA 3.49Å; V56-F61 WeakPolarHBondContact CA-O 3.21Å; V56-I62 HydrophobicContact CG2-CG1 4.18Å
57	D	95.4	Very high	95.5	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	21%	0.213	C	C	.	.			trans	-77.6	176.6	174.7	78.4	7.3	0	0	0	112.8	N59 G60 F61 K63	D57-N59 PolarHBondContact O-N 2.85Å; D57-N59 VanDerWaalsContact O-N 3.12Å; D57-N59 WeakPolarHBondContact OD1-CA 3.24Å; D57-N59 WeakPolarHBondContact OD1-CB 3.48Å; D57-N59 PolarHBondContact OD1-N 2.83Å; D57-G60 PolarHBondContact O-N 2.88Å; D57-G60 PolarHBondContact OD1-N 2.82Å; D57-G60 VanDerWaalsContact OD1-N 3.1Å; D57-F61 PolarHBondContact N-O 3.48Å; D57-F61 PolarHBondContact OD1-N 2.8Å; D57-K63 HydrophobicContact CB-CD 4.16Å; D57-K63 HydrophobicContact CB-CG 4.07Å
58	S	91.7	Very high	95.3	Very high	60 Å²	60	34.5 Å²	34.5	42%	0.42	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.7	-179.6	39.5	0	0	0	0	114.9	G44	G44-S58 PolarHBondContact N-OG 2.82Å; G44-S58 VanDerWaalsContact N-OG 3.13Å; G44-S58 PolarHBondContact O-OG 2.84Å
59	N	90.6	Very high	95.2	Very high	129 Å²	129	34.5 Å²	34.5	69%	0.69	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.1	175	-60.1	-52.9	0	0	0	112.5	D57 F61	D57-N59 PolarHBondContact O-N 2.85Å; D57-N59 VanDerWaalsContact O-N 3.12Å; D57-N59 WeakPolarHBondContact OD1-CA 3.24Å; D57-N59 WeakPolarHBondContact OD1-CB 3.48Å; D57-N59 PolarHBondContact OD1-N 2.83Å; N59-F61 HydrophobicContact CB-CD2 4.01Å; N59-F61 HydrophobicContact CB-CE2 4.36Å
60	G	92.3	Very high	95.1	Very high	39 Å²	39	32.1 Å²	32.1	40%	0.402	19%	0.185	S	C	.	.	S	Bend	trans	84.9	12.6	-177.8	0	0	0	0	0	114.2	V56 D57	V56-G60 VanDerWaalsContact CG1-CA 3.49Å; D57-G60 PolarHBondContact O-N 2.88Å; D57-G60 PolarHBondContact OD1-N 2.82Å; D57-G60 VanDerWaalsContact OD1-N 3.1Å
61	F	95.9	Very high	95.3	Very high	23 Å²	23	29.7 Å²	29.7	10%	0.101	17%	0.172	C	C	.	.			trans	-83.2	132.8	177.4	-78.2	-129	0	0	0	109.9	V56 D57 N59 K63 T435 A436 L470	V56-F61 WeakPolarHBondContact CA-O 3.21Å; D57-F61 PolarHBondContact N-O 3.48Å; D57-F61 PolarHBondContact OD1-N 2.8Å; N59-F61 HydrophobicContact CB-CD2 4.01Å; N59-F61 HydrophobicContact CB-CE2 4.36Å; F61-K63 PolarHBondContact O-N 2.86Å; F61-T435 CarbonylContact C-O 3.46Å; F61-T435 VanDerWaalsContact CA-O 3.32Å; F61-T435 WeakPolarHBondContact CA-O 3.33Å; F61-A436 HydrophobicContact CD1-CB 4.14Å; F61-A436 HydrophobicContact CD2-CB 4.13Å; F61-A436 HydrophobicContact CE1-CB 3.79Å; F61-A436 HydrophobicContact CE2-CB 3.76Å; F61-A436 HydrophobicContact CG-CB 4.31Å; F61-A436 HydrophobicContact CZ-CB 3.6Å; F61-L470 HydrophobicContact CE1-CD2 4.11Å; F61-L470 HydrophobicContact CE1-CG 4.01Å; F61-L470 HydrophobicContact CZ-CB 4.37Å; F61-L470 HydrophobicContact CZ-CD2 4.17Å; F61-L470 HydrophobicContact CZ-CG 4.11Å; F61-L470 WeakPolarHBondContact CZ-O 3.37Å
62	I	97.9	Very high	95.4	Very high	20 Å²	20	24.4 Å²	24.4	10%	0.103	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.6	169.4	-73.4	170.9	0	0	0	109.1	Y54 F55 V56 S434 T435 G437 P439	Y54-I62 HydrophobicContact CD2-CD1 3.56Å; Y54-I62 HydrophobicContact CD2-CG1 4.38Å; Y54-I62 HydrophobicContact CD2-CG2 4.5Å; Y54-I62 HydrophobicContact CE2-CD1 4.33Å; Y54-I62 HydrophobicContact CG-CD1 4.14Å; Y54-I62 HydrophobicContact CG-CG2 4.15Å; F55-I62 CarbonylContact O-C 3.6Å; F55-I62 VanDerWaalsContact O-CA 3.26Å; F55-I62 WeakPolarHBondContact O-CA 3.4Å; V56-I62 HydrophobicContact CG2-CG1 4.18Å; I62-S434 CarbonylContact O-C 2.87Å; I62-S434 VanDerWaalsContact O-CA 3.28Å; I62-S434 WeakPolarHBondContact O-CA 3.29Å; I62-T435 PolarHBondContact N-O 3.29Å; I62-T435 PolarHBondContact O-N 3.18Å; I62-G437 WeakPolarHBondContact CD1-O 3.33Å; I62-P439 HydrophobicContact CD1-CG 4.42Å; I62-P439 HydrophobicContact CG2-CG 4.07Å
63	K	98.2	Very high	95.2	Very high	19 Å²	19	23.1 Å²	23.1	8%	0.083	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.9	-179.6	-60.2	-64.5	-69.1	157.4	0	110	F55 D57 F61 F65 Q433 S434	F55-K63 HydrophobicContact CB-CB 4.03Å; F55-K63 PolarHBondContact O-N 3.12Å; D57-K63 HydrophobicContact CB-CD 4.16Å; D57-K63 HydrophobicContact CB-CG 4.07Å; F61-K63 PolarHBondContact O-N 2.86Å; K63-F65 HydrophobicContact CB-CE1 4.41Å; K63-F65 HydrophobicContact CB-CE2 3.75Å; K63-F65 HydrophobicContact CB-CZ 3.69Å; K63-F65 HydrophobicContact CG-CZ 4.31Å; K63-Q433 WeakPolarHBondContact CE-O 3.45Å; K63-Q433 PolarHBondContact NZ-O 2.97Å; K63-S434 PolarHBondContact NZ-OG 3.41Å
64	L	98.7	Very high	94.9	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.058	15%	0.153	C	C	.	.			trans	-115.9	129.7	169.2	-174.2	60.4	0	0	0	108.1	N97 Y431 P432 Q433 L442	L64-N97 PolarHBondContact O-ND2 3.37Å; L64-Y431 HydrophobicContact CB-CD2 4.45Å; L64-Y431 HydrophobicContact CD2-CD2 4.04Å; L64-Y431 HydrophobicContact CG-CD2 4.28Å; L64-P432 WeakPolarHBondContact CB-O 3.36Å; L64-Q433 PolarHBondContact N-O 3.21Å; L64-L442 HydrophobicContact CD2-CD2 3.72Å
65	F	98.8	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.			trans	-112.8	125.2	-175.9	-56.6	-84.8	0	0	0	112.3	V46 F55 K63 N97 V98 Y136 L231 F370 S404 W405	V46-F65 HydrophobicContact CG1-CZ 4.42Å; V46-F65 HydrophobicContact CG2-CZ 4.35Å; F55-F65 HydrophobicContact CB-CD2 4.45Å; F55-F65 HydrophobicContact CB-CE2 3.66Å; F55-F65 HydrophobicContact CD1-CD2 4.46Å; F55-F65 AromaticContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD1-CE2 3.84Å; F55-F65 HydrophobicContact CD2-CD2 4.09Å; F55-F65 HydrophobicContact CD2-CE2 4.06Å; F55-F65 HydrophobicContact CG-CD2 4.09Å; F55-F65 AromaticContact CG-CE2 3.58Å; F55-F65 HydrophobicContact CG-CE2 3.58Å; K63-F65 HydrophobicContact CB-CE1 4.41Å; K63-F65 HydrophobicContact CB-CE2 3.75Å; K63-F65 HydrophobicContact CB-CZ 3.69Å; K63-F65 HydrophobicContact CG-CZ 4.31Å; F65-N97 WeakPolarHBondContact CA-OD1 3.36Å; F65-V98 HydrophobicContact CB-CB 4.1Å; F65-V98 HydrophobicContact CB-CG1 3.66Å; F65-V98 HydrophobicContact CD1-CB 4.16Å; F65-V98 HydrophobicContact CG-CB 4.47Å; F65-Y136 HydrophobicContact CD1-CD2 4.32Å; F65-Y136 AromaticContact CE1-CD2 3.62Å; F65-Y136 HydrophobicContact CE1-CD2 3.62Å; F65-Y136 AromaticContact CE1-CE2 3.94Å; F65-Y136 HydrophobicContact CE1-CE2 3.94Å; F65-Y136 AromaticContact CE1-CG 3.98Å; F65-Y136 HydrophobicContact CE1-CG 3.98Å; F65-L231 HydrophobicContact CD1-CD2 4.41Å; F65-L231 HydrophobicContact CD2-CD2 4.17Å; F65-L231 HydrophobicContact CE1-CD2 4.27Å; F65-L231 HydrophobicContact CE2-CD1 4.1Å; F65-L231 HydrophobicContact CE2-CD2 4.01Å; F65-L231 HydrophobicContact CG-CD2 4.36Å; F65-L231 HydrophobicContact CZ-CD1 3.81Å; F65-L231 HydrophobicContact CZ-CD2 4.07Å; F65-F370 HydrophobicContact CB-CE2 3.83Å; F65-F370 HydrophobicContact CB-CZ 4.09Å; F65-F370 HydrophobicContact CD2-CE2 4.2Å; F65-F370 HydrophobicContact CG-CE2 4.31Å; F65-S404 PolarHBondContact N-OG 3.49Å; F65-S404 CarbonylContact O-C 3.47Å; F65-S404 WeakPolarHBondContact O-CA 3.19Å; F65-S404 VanDerWaalsContact O-CB 3.3Å; F65-S404 WeakPolarHBondContact O-CB 3.46Å; F65-W405 PolarHBondContact O-N 3.34Å
66	H	98.2	Very high	94.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	172.8	-69.4	-172	0	0	0	107.7	I96 N97 V98 D399 W405 Y431	H66-I96 WeakPolarHBondContact O-CA 3.44Å; H66-N97 PolarHBondContact N-OD1 3.05Å; H66-N97 PolarHBondContact O-N 2.81Å; H66-N97 PolarHBondContact O-OD1 2.82Å; H66-V98 PolarHBondContact O-N 3.15Å; H66-D399 IonicContact CE1-OD1 2.99Å; H66-W405 HydrophobicContact CB-CD2 4.42Å; H66-W405 HydrophobicContact CB-CH2 3.89Å; H66-W405 HydrophobicContact CB-CZ2 3.49Å; H66-W405 VanDerWaalsContact CB-CZ2 3.49Å; H66-W405 HydrophobicContact CB-CZ3 4.49Å; H66-W405 AromaticContact CD2-CD1 3.67Å; H66-W405 AromaticContact CD2-CE2 3.56Å; H66-W405 AromaticContact CD2-CZ2 3.97Å; H66-W405 AromaticContact CD2-NE1 3.03Å; H66-W405 PolarHBondContact CD2-NE1 3.3Å; H66-W405 AromaticContact CE1-NE1 3.58Å; H66-W405 AromaticContact CG-CE2 3.45Å; H66-W405 VanDerWaalsContact CG-CE2 3.45Å; H66-W405 AromaticContact CG-CZ2 3.38Å; H66-W405 AromaticContact CG-NE1 3.43Å; H66-W405 AromaticContact ND1-CE2 3.82Å; H66-W405 AromaticContact ND1-CZ2 3.46Å; H66-W405 WeakPolarHBondContact ND1-CZ2 3.48Å; H66-W405 AromaticContact ND1-NE1 3.74Å; H66-W405 AromaticContact NE2-CD1 3.93Å; H66-W405 AromaticContact NE2-CE2 3.98Å; H66-W405 AromaticContact NE2-NE1 3.16Å; H66-W405 PolarHBondContact NE2-NE1 3.42Å; H66-W405 VanDerWaalsContact NE2-NE1 3.16Å; H66-Y431 HydrophobicContact CB-CE1 4.18Å; H66-Y431 HydrophobicContact CB-CE2 4.32Å; H66-Y431 AromaticContact CE1-CD1 3.68Å; H66-Y431 AromaticContact CE1-CD2 3.61Å; H66-Y431 AromaticContact CE1-CG 3.37Å; H66-Y431 AromaticContact CG-CE1 3.93Å; H66-Y431 AromaticContact CG-CE2 3.8Å; H66-Y431 AromaticContact CG-CZ 3.69Å; H66-Y431 AromaticContact ND1-CD1 3.36Å; H66-Y431 WeakPolarHBondContact ND1-CD1 3.36Å; H66-Y431 AromaticContact ND1-CD2 3.77Å; H66-Y431 AromaticContact ND1-CE1 3.45Å; H66-Y431 WeakPolarHBondContact ND1-CE1 3.34Å; H66-Y431 AromaticContact ND1-CE2 3.84Å; H66-Y431 AromaticContact ND1-CG 3.53Å; H66-Y431 AromaticContact ND1-CZ 3.68Å; H66-Y431 AromaticContact NE2-CD2 3.84Å
67	G	96.7	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	-176.3	-163.8	0	0	0	0	0	115.9	V98 W405 T406 Y407	G67-V98 WeakPolarHBondContact CA-O 3.46Å; G67-W405 WeakPolarHBondContact CA-O 3.34Å; G67-W405 PolarHBondContact N-O 2.96Å; G67-W405 WeakPolarHBondContact O-CZ3 3.49Å; G67-T406 WeakPolarHBondContact O-CA 3.32Å; G67-Y407 PolarHBondContact O-N 3.03Å
68	I	94.7	Very high	94	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.9	-176.9	63.2	170.5	0	0	0	110.1	L91 I96 V98 I99 R100 F414	I68-L91 HydrophobicContact CD1-CD1 4.24Å; I68-L91 HydrophobicContact CD1-CD2 3.85Å; I68-I96 HydrophobicContact CG1-CG2 4.49Å; I68-I96 HydrophobicContact CG2-CD1 3.86Å; I68-I96 HydrophobicContact CG2-CG1 4.3Å; I68-V98 PolarHBondContact N-O 3.4Å; I68-I99 HydrophobicContact CG1-CG1 4.01Å; I68-I99 WeakPolarHBondContact O-CA 3.35Å; I68-R100 PolarHBondContact O-N 3.27Å; I68-F414 HydrophobicContact CB-CD2 4.2Å; I68-F414 HydrophobicContact CB-CE2 3.96Å; I68-F414 HydrophobicContact CB-CZ 4.33Å; I68-F414 HydrophobicContact CD1-CB 4.2Å; I68-F414 HydrophobicContact CD1-CD1 3.73Å; I68-F414 HydrophobicContact CD1-CD2 3.85Å; I68-F414 HydrophobicContact CD1-CE1 4.03Å; I68-F414 HydrophobicContact CD1-CE2 4.23Å; I68-F414 HydrophobicContact CD1-CG 3.64Å; I68-F414 HydrophobicContact CD1-CZ 4.35Å; I68-F414 HydrophobicContact CG2-CD1 4.49Å; I68-F414 HydrophobicContact CG2-CD2 3.89Å; I68-F414 HydrophobicContact CG2-CE1 3.82Å; I68-F414 HydrophobicContact CG2-CE2 3.21Å; I68-F414 HydrophobicContact CG2-CZ 3.21Å
69	N	95.1	Very high	94	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138	166.2	-73.6	-86.8	0	0	0	109.4	R100 T372 T406 Y407 W408	N69-R100 CarbonylContact C-O 3.55Å; N69-R100 WeakPolarHBondContact CA-O 3.29Å; N69-R100 WeakPolarHBondContact OD1-CB 3.38Å; N69-R100 VanDerWaalsContact OD1-CD 3.28Å; N69-R100 WeakPolarHBondContact OD1-CD 3.16Å; N69-R100 WeakPolarHBondContact OD1-CG 3.31Å; N69-R100 PolarHBondContact OD1-NH1 3.41Å; N69-T372 PolarHBondContact ND2-O 2.75Å; N69-T406 PolarHBondContact ND2-O 3Å; N69-Y407 PolarHBondContact N-O 3.27Å; N69-Y407 PolarHBondContact ND2-O 2.62Å; N69-W408 HydrophobicContact CB-CD2 4.46Å; N69-W408 HydrophobicContact CB-CE3 3.56Å; N69-W408 HydrophobicContact CB-CZ3 3.96Å
70	C	94	Very high	94.2	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.054	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	66.7	176.6	-76.8	0	0	0	0	108.4	I79 L82 I99 R100 L101 G102	C70-I79 HydrophobicContact CB-CD1 3.91Å; C70-L82 HydrophobicContact CB-CD1 4.13Å; C70-I99 HydrophobicContact CB-CG2 3.48Å; C70-I99 VanDerWaalsContact CB-CG2 3.48Å; C70-I99 VanDerWaalsContact SG-CG2 3.58Å; C70-R100 PolarHBondContact N-O 2.98Å; C70-L101 HydrophobicContact CB-CD1 4.16Å; C70-G102 PolarHBondContact O-N 3.38Å
71	V	92.3	Very high	94.1	Very high	11 Å²	11	30.9 Å²	30.9	7%	0.067	17%	0.167	C	C	.	.			trans	-102.1	117.2	179	177.3	0	0	0	0	107.4	K73 H142 W408 Y411	V71-K73 HydrophobicContact CG1-CG 3.97Å; V71-H142 HydrophobicContact CG1-CB 3.81Å; V71-H142 HydrophobicContact CG2-CB 4.3Å; V71-W408 HydrophobicContact CB-CH2 3.95Å; V71-W408 HydrophobicContact CB-CZ3 4.12Å; V71-W408 HydrophobicContact CG1-CH2 4.36Å; V71-W408 HydrophobicContact CG2-CH2 4.18Å; V71-W408 HydrophobicContact CG2-CZ3 3.86Å; V71-Y411 WeakPolarHBondContact O-CE1 3.25Å; V71-Y411 PolarHBondContact O-OH 3.15Å
72	H	91.1	Very high	94	Very high	43 Å²	43	30 Å²	30	20%	0.199	16%	0.164	C	C	.	.			trans	-102.6	108.2	173.4	-159.9	57.6	0	0	0	111.4	V74 F77 Y78 I79 Y411	H72-V74 PolarHBondContact CD2-O 2.71Å; H72-V74 PolarHBondContact NE2-O 2.91Å; H72-V74 PolarHBondContact O-N 3.38Å; H72-F77 WeakPolarHBondContact O-CA 3.26Å; H72-Y78 PolarHBondContact CD2-O 2.76Å; H72-Y78 VanDerWaalsContact CD2-O 3.28Å; H72-I79 HydrophobicContact CB-CG1 4.05Å; H72-Y411 WeakPolarHBondContact CA-OH 3.27Å; H72-Y411 HydrophobicContact CB-CE1 4.41Å; H72-Y411 AromaticContact ND1-CE1 3.47Å; H72-Y411 WeakPolarHBondContact ND1-CE1 3.26Å; H72-Y411 AromaticContact ND1-CZ 3.68Å
73	K	88.9	Confident	93.9	Very high	16 Å²	16	31.9 Å²	31.9	7%	0.07	17%	0.173	C	C	.	.			trans	-82.3	-8.6	-166.6	-64.1	-177.1	177.3	-166.5	0	115	V71 F77 H142 D144 I153 D154 Y411	V71-K73 HydrophobicContact CG1-CG 3.97Å; K73-F77 WeakPolarHBondContact O-CE1 3.13Å; K73-H142 WeakPolarHBondContact CE-NE2 3.46Å; K73-H142 PolarHBondContact NZ-NE2 3.36Å; K73-D144 VanDerWaalsContact NZ-CG 3.27Å; K73-D144 IonicContact NZ-OD1 3.76Å; K73-D144 IonicContact NZ-OD2 2.53Å; K73-D144 PolarHBondContact NZ-OD2 3.02Å; K73-I153 HydrophobicContact CB-CD1 3.92Å; K73-I153 HydrophobicContact CB-CG1 4.24Å; K73-I153 HydrophobicContact CD-CD1 3.76Å; K73-I153 HydrophobicContact CD-CG1 4.17Å; K73-I153 HydrophobicContact CG-CD1 4.43Å; K73-D154 HydrophobicContact CB-CB 4.02Å; K73-D154 HydrophobicContact CD-CB 4.26Å; K73-D154 WeakPolarHBondContact CD-OD2 3.22Å; K73-D154 WeakPolarHBondContact CE-OD2 3.32Å; K73-D154 HydrophobicContact CG-CB 3.94Å; K73-D154 WeakPolarHBondContact CG-OD2 3.42Å; K73-D154 IonicContact NZ-OD2 3.89Å; K73-D154 PolarHBondContact NZ-OD2 3.03Å; K73-Y411 PolarHBondContact N-OH 3.23Å; K73-Y411 VanDerWaalsContact N-OH 3.14Å
74	V	89	Confident	93.8	Very high	79 Å²	79	34.9 Å²	34.9	48%	0.479	19%	0.19	S	C	.	.	S	Bend	trans	-128.5	163.6	-177.4	-63.6	0	0	0	0	110.8	H72 F77	H72-V74 PolarHBondContact CD2-O 2.71Å; H72-V74 PolarHBondContact NE2-O 2.91Å; H72-V74 PolarHBondContact O-N 3.38Å; V74-F77 WeakPolarHBondContact O-CA 3.45Å; V74-F77 PolarHBondContact O-N 2.96Å
75	T	90.4	Very high	93.5	Very high	112 Å²	112	36.3 Å²	36.3	69%	0.687	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	127.9	175.5	-57.9	0	0	0	0	110.4	F77	T75-F77 WeakPolarHBondContact OG1-CE2 3.35Å
76	P	93.3	Very high	93.2	Very high	47 Å²	47	41 Å²	41	31%	0.305	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.4	15.6	17.4	39.7	-39	0	0	0	115.8	Y78 P80	P76-Y78 HydrophobicContact CB-CD1 4.01Å; P76-Y78 HydrophobicContact CB-CE1 3.46Å; P76-Y78 VanDerWaalsContact CB-CE1 3.46Å; P76-Y78 HydrophobicContact CG-CD1 4.1Å; P76-Y78 HydrophobicContact CG-CE1 3.73Å; P76-Y78 HydrophobicContact CG-CE2 4.25Å; P76-Y78 WeakPolarHBondContact O-CD1 3.15Å; P76-Y78 WeakPolarHBondContact O-CE1 3.32Å; P76-Y78 PolarHBondContact O-N 2.85Å; P76-P80 HydrophobicContact CG-CG 4.23Å
77	F	93.3	Very high	93	Very high	21 Å²	21	41.2 Å²	41.2	9%	0.092	22%	0.223	C	C	.	.	S	Bend	trans	63.3	21.8	178.2	-53.5	-80.5	0	0	0	115.5	H72 K73 V74 T75 S104 I106 A107 Y119	H72-F77 WeakPolarHBondContact O-CA 3.26Å; K73-F77 WeakPolarHBondContact O-CE1 3.13Å; V74-F77 WeakPolarHBondContact O-CA 3.45Å; V74-F77 PolarHBondContact O-N 2.96Å; T75-F77 WeakPolarHBondContact OG1-CE2 3.35Å; F77-S104 WeakPolarHBondContact CD1-OG 3.45Å; F77-I106 HydrophobicContact CE2-CG2 4.31Å; F77-I106 HydrophobicContact CZ-CB 4.44Å; F77-I106 HydrophobicContact CZ-CG2 4.01Å; F77-A107 HydrophobicContact CB-CB 3.77Å; F77-A107 HydrophobicContact CD2-CB 3.69Å; F77-A107 HydrophobicContact CG-CB 3.92Å; F77-Y119 HydrophobicContact CB-CE2 4.11Å; F77-Y119 PolarHBondContact O-OH 2.96Å
78	Y	93.6	Very high	92.8	Very high	41 Å²	41	41.2 Å²	41.2	16%	0.161	22%	0.223	C	C	.	.	S	Bend	trans	-148.2	160.6	165.5	62.4	-88.8	0	0	0	107.8	H72 P76 P80 L83 Y119 I122 I126	H72-Y78 PolarHBondContact CD2-O 2.76Å; H72-Y78 VanDerWaalsContact CD2-O 3.28Å; P76-Y78 HydrophobicContact CB-CD1 4.01Å; P76-Y78 HydrophobicContact CB-CE1 3.46Å; P76-Y78 VanDerWaalsContact CB-CE1 3.46Å; P76-Y78 HydrophobicContact CG-CD1 4.1Å; P76-Y78 HydrophobicContact CG-CE1 3.73Å; P76-Y78 HydrophobicContact CG-CE2 4.25Å; P76-Y78 WeakPolarHBondContact O-CD1 3.15Å; P76-Y78 WeakPolarHBondContact O-CE1 3.32Å; P76-Y78 PolarHBondContact O-N 2.85Å; Y78-P80 HydrophobicContact CE2-CB 4.26Å; Y78-P80 HydrophobicContact CE2-CG 4.16Å; Y78-P80 VanDerWaalsContact O-CD 3.28Å; Y78-P80 WeakPolarHBondContact O-CD 3.29Å; Y78-L83 HydrophobicContact CD2-CD1 4.48Å; Y78-L83 HydrophobicContact CE2-CD1 3.7Å; Y78-L83 HydrophobicContact CE2-CG 4.32Å; Y78-Y119 HydrophobicContact CD1-CD2 4.38Å; Y78-Y119 HydrophobicContact CD1-CE2 4.17Å; Y78-I122 HydrophobicContact CD1-CG2 3.62Å; Y78-I122 HydrophobicContact CD2-CG2 3.81Å; Y78-I122 HydrophobicContact CE1-CD1 3.82Å; Y78-I122 HydrophobicContact CE1-CG2 3.69Å; Y78-I122 HydrophobicContact CE2-CG2 3.9Å; Y78-I122 HydrophobicContact CG-CG2 3.69Å; Y78-I126 HydrophobicContact CD2-CD1 4.21Å; Y78-I126 HydrophobicContact CG-CD1 4.38Å
79	I	92.3	Very high	92.6	Very high	37 Å²	37	44.6 Å²	44.6	19%	0.19	24%	0.238	C	C	.	.			trans	-85.7	112.2	175.9	-59	175	0	0	0	107.8	C70 H72 K81 L82 Y411	C70-I79 HydrophobicContact CB-CD1 3.91Å; H72-I79 HydrophobicContact CB-CG1 4.05Å; I79-K81 HydrophobicContact CG2-CB 4.03Å; I79-K81 PolarHBondContact O-N 2.9Å; I79-L82 HydrophobicContact CB-CD1 3.94Å; I79-L82 HydrophobicContact CB-CG 3.99Å; I79-L82 HydrophobicContact CD1-CD1 4.42Å; I79-L82 HydrophobicContact CG2-CG 4.27Å; I79-L82 WeakPolarHBondContact O-CB 3.36Å; I79-L82 PolarHBondContact O-N 2.88Å; I79-Y411 HydrophobicContact CD1-CD1 4.37Å; I79-Y411 HydrophobicContact CD1-CE1 4.36Å
80	P	92.9	Very high	92.4	Very high	74 Å²	74	45.4 Å²	45.4	48%	0.481	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-58.6	-28.8	-174	-27.5	37.1	0	0	0	114.1	P76 Y78 L82 L83	P76-P80 HydrophobicContact CG-CG 4.23Å; Y78-P80 HydrophobicContact CE2-CB 4.26Å; Y78-P80 HydrophobicContact CE2-CG 4.16Å; Y78-P80 VanDerWaalsContact O-CD 3.28Å; Y78-P80 WeakPolarHBondContact O-CD 3.29Å; P80-L82 PolarHBondContact O-N 3.3Å; P80-L83 WeakPolarHBondContact O-CB 3.41Å; P80-L83 PolarHBondContact O-N 3.13Å
81	K	91.5	Very high	92.4	Very high	80 Å²	80	45 Å²	45	35%	0.348	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60	-25.9	176.8	-157.5	178.2	-171.3	177.4	0	113.3	I79 L83 D84 T87 S415 L417	I79-K81 HydrophobicContact CG2-CB 4.03Å; I79-K81 PolarHBondContact O-N 2.9Å; K81-L83 PolarHBondContact O-N 3.49Å; K81-D84 PolarHBondContact O-N 3.16Å; K81-T87 HydrophobicContact CG-CG2 4.45Å; K81-T87 WeakPolarHBondContact CG-OG1 3.2Å; K81-T87 WeakPolarHBondContact O-CB 3.18Å; K81-T87 PolarHBondContact O-OG1 3.27Å; K81-S415 PolarHBondContact NZ-O 2.92Å; K81-L417 HydrophobicContact CD-CD1 4.01Å; K81-L417 HydrophobicContact CD-CG 4.45Å
82	L	93.6	Very high	92.4	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-73.9	-10.3	176.8	-60.1	177.6	0	0	0	113	C70 I79 P80 D84 T87 F88 L101 I126 N129	C70-L82 HydrophobicContact CB-CD1 4.13Å; I79-L82 HydrophobicContact CB-CD1 3.94Å; I79-L82 HydrophobicContact CB-CG 3.99Å; I79-L82 HydrophobicContact CD1-CD1 4.42Å; I79-L82 HydrophobicContact CG2-CG 4.27Å; I79-L82 WeakPolarHBondContact O-CB 3.36Å; I79-L82 PolarHBondContact O-N 2.88Å; P80-L82 PolarHBondContact O-N 3.3Å; L82-D84 VanDerWaalsContact C-N 3.26Å; L82-T87 HydrophobicContact CD2-CG2 3.83Å; L82-F88 HydrophobicContact CB-CE2 4.35Å; L82-F88 HydrophobicContact CB-CZ 4.22Å; L82-F88 HydrophobicContact CD2-CE1 4.31Å; L82-F88 HydrophobicContact CD2-CE2 4.42Å; L82-F88 HydrophobicContact CD2-CZ 3.93Å; L82-F88 VanDerWaalsContact O-CE2 3.29Å; L82-F88 WeakPolarHBondContact O-CE2 3.12Å; L82-L101 HydrophobicContact CD1-CD1 4.07Å; L82-I126 HydrophobicContact CB-CB 4.47Å; L82-I126 HydrophobicContact CB-CD1 3.98Å; L82-I126 HydrophobicContact CB-CG1 3.83Å; L82-I126 HydrophobicContact CB-CG2 3.95Å; L82-I126 HydrophobicContact CD1-CG2 4.08Å; L82-N129 PolarHBondContact O-ND2 2.89Å; L82-N129 VanDerWaalsContact O-ND2 3.15Å
83	L	96	Very high	92.4	Very high	58 Å²	58	46.1 Å²	46.1	30%	0.304	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-75.1	-17.8	171.2	-69.4	173.3	0	0	0	112.9	Y78 P80 K81 P85 I122 K125 I126 N129	Y78-L83 HydrophobicContact CD2-CD1 4.48Å; Y78-L83 HydrophobicContact CE2-CD1 3.7Å; Y78-L83 HydrophobicContact CE2-CG 4.32Å; P80-L83 WeakPolarHBondContact O-CB 3.41Å; P80-L83 PolarHBondContact O-N 3.13Å; K81-L83 PolarHBondContact O-N 3.49Å; L83-P85 WeakPolarHBondContact O-CD 3.35Å; L83-I122 HydrophobicContact CD2-CG2 4.21Å; L83-K125 HydrophobicContact CD2-CB 4.07Å; L83-K125 HydrophobicContact CD2-CG 3.82Å; L83-I126 HydrophobicContact CD2-CG1 4.09Å; L83-N129 PolarHBondContact O-ND2 3.19Å
84	D	94.6	Very high	92.6	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.444	24%	0.242	S	C	.	.	S	Bend	trans	-86.8	117.2	172.2	-177.3	0	0	0	0	110.3	K81 L82 H86 T87	K81-D84 PolarHBondContact O-N 3.16Å; L82-D84 VanDerWaalsContact C-N 3.26Å; D84-H86 PolarHBondContact O-N 2.91Å; D84-H86 VanDerWaalsContact O-N 3.12Å; D84-H86 VanDerWaalsContact OD1-CB 3.32Å; D84-H86 WeakPolarHBondContact OD1-CB 3.43Å; D84-H86 PolarHBondContact OD1-N 3.32Å; D84-T87 VanDerWaalsContact O-CB 3.32Å; D84-T87 WeakPolarHBondContact O-CB 3.34Å; D84-T87 PolarHBondContact O-N 3.48Å; D84-T87 VanDerWaalsContact O-N 3.09Å; D84-T87 PolarHBondContact O-OG1 2.92Å
85	P	94.3	Very high	92.8	Very high	40 Å²	40	42 Å²	42	26%	0.26	22%	0.22	S	C	.	.	H	α-helix	trans	-54.8	-28.8	174.1	-21	29.9	0	0	0	113.4	L83 T87 F88 K89 Y133	L83-P85 WeakPolarHBondContact O-CD 3.35Å; P85-T87 PolarHBondContact O-N 2.93Å; P85-F88 PolarHBondContact O-N 3Å; P85-F88 VanDerWaalsContact O-N 3.16Å; P85-K89 PolarHBondContact O-N 3.19Å; P85-Y133 HydrophobicContact CB-CE2 3.91Å; P85-Y133 WeakPolarHBondContact O-CE2 3.31Å
86	H	92.2	Very high	93.1	Very high	99 Å²	99	36.9 Å²	36.9	46%	0.458	19%	0.188	S	C	.	.	H	α-helix	trans	-61.5	-30.5	179.4	-170.8	71.4	0	0	0	112.7	D84 F88 K89 V90	D84-H86 PolarHBondContact O-N 2.91Å; D84-H86 VanDerWaalsContact O-N 3.12Å; D84-H86 VanDerWaalsContact OD1-CB 3.32Å; D84-H86 WeakPolarHBondContact OD1-CB 3.43Å; D84-H86 PolarHBondContact OD1-N 3.32Å; H86-F88 VanDerWaalsContact C-N 3.27Å; H86-F88 PolarHBondContact O-N 2.99Å; H86-K89 VanDerWaalsContact O-CB 3.26Å; H86-K89 WeakPolarHBondContact O-CB 3.38Å; H86-K89 PolarHBondContact O-N 2.88Å; H86-K89 VanDerWaalsContact O-N 3.09Å; H86-V90 PolarHBondContact O-N 2.87Å
87	T	92.4	Very high	93.3	Very high	6 Å²	6	35 Å²	35	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-55.4	-44.2	174.6	-63.1	0	0	0	0	111.6	K81 L82 D84 P85 K89 V90 L91 L417	K81-T87 HydrophobicContact CG-CG2 4.45Å; K81-T87 WeakPolarHBondContact CG-OG1 3.2Å; K81-T87 WeakPolarHBondContact O-CB 3.18Å; K81-T87 PolarHBondContact O-OG1 3.27Å; L82-T87 HydrophobicContact CD2-CG2 3.83Å; D84-T87 VanDerWaalsContact O-CB 3.32Å; D84-T87 WeakPolarHBondContact O-CB 3.34Å; D84-T87 PolarHBondContact O-N 3.48Å; D84-T87 VanDerWaalsContact O-N 3.09Å; D84-T87 PolarHBondContact O-OG1 2.92Å; P85-T87 PolarHBondContact O-N 2.93Å; T87-K89 VanDerWaalsContact C-N 3.35Å; T87-K89 PolarHBondContact O-N 3.23Å; T87-V90 PolarHBondContact O-N 2.8Å; T87-L91 HydrophobicContact CG2-CD1 4.23Å; T87-L91 WeakPolarHBondContact O-CG 3.36Å; T87-L91 PolarHBondContact O-N 3.22Å; T87-L417 HydrophobicContact CG2-CD1 3.81Å
88	F	92.9	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73	-27.5	178.9	-66	-80.3	0	0	0	113.3	L82 P85 H86 V90 L91 R92 I99 I126 N129 A130 Y133 V135	L82-F88 HydrophobicContact CB-CE2 4.35Å; L82-F88 HydrophobicContact CB-CZ 4.22Å; L82-F88 HydrophobicContact CD2-CE1 4.31Å; L82-F88 HydrophobicContact CD2-CE2 4.42Å; L82-F88 HydrophobicContact CD2-CZ 3.93Å; L82-F88 VanDerWaalsContact O-CE2 3.29Å; L82-F88 WeakPolarHBondContact O-CE2 3.12Å; P85-F88 PolarHBondContact O-N 3Å; P85-F88 VanDerWaalsContact O-N 3.16Å; H86-F88 VanDerWaalsContact C-N 3.27Å; H86-F88 PolarHBondContact O-N 2.99Å; F88-V90 VanDerWaalsContact C-N 3.33Å; F88-L91 HydrophobicContact CD1-CD1 4.2Å; F88-R92 WeakPolarHBondContact O-CB 3.46Å; F88-R92 PolarHBondContact O-N 2.85Å; F88-I99 HydrophobicContact CD1-CD1 4.16Å; F88-I99 HydrophobicContact CE1-CD1 3.54Å; F88-I99 HydrophobicContact CZ-CD1 4.49Å; F88-I126 HydrophobicContact CZ-CG2 4.09Å; F88-I126 WeakPolarHBondContact CZ-O 3.19Å; F88-N129 HydrophobicContact CD2-CB 3.61Å; F88-N129 HydrophobicContact CE2-CB 3.42Å; F88-N129 VanDerWaalsContact CE2-CB 3.42Å; F88-N129 HydrophobicContact CZ-CB 4.42Å; F88-A130 VanDerWaalsContact CD1-CA 3.47Å; F88-A130 HydrophobicContact CD1-CB 3.7Å; F88-A130 HydrophobicContact CE1-CB 3.33Å; F88-A130 HydrophobicContact CE2-CB 4.46Å; F88-A130 HydrophobicContact CG-CB 4.38Å; F88-A130 HydrophobicContact CZ-CB 3.76Å; F88-Y133 HydrophobicContact CB-CD2 3.49Å; F88-Y133 VanDerWaalsContact CB-CD2 3.49Å; F88-Y133 HydrophobicContact CB-CE2 4.21Å; F88-Y133 HydrophobicContact CB-CG 3.97Å; F88-V135 HydrophobicContact CD1-CB 4.29Å; F88-V135 HydrophobicContact CD1-CG1 4.33Å; F88-V135 HydrophobicContact CD1-CG2 4.37Å
89	K	92	Very high	93.7	Very high	72 Å²	72	32.1 Å²	32.1	31%	0.313	16%	0.164	S	C	.	.	H	α-helix	trans	-59.1	-48.3	167.4	-171.3	-170.8	165.2	-67	0	110.3	P85 H86 T87 R92 D93 Y133	P85-K89 PolarHBondContact O-N 3.19Å; H86-K89 VanDerWaalsContact O-CB 3.26Å; H86-K89 WeakPolarHBondContact O-CB 3.38Å; H86-K89 PolarHBondContact O-N 2.88Å; H86-K89 VanDerWaalsContact O-N 3.09Å; T87-K89 VanDerWaalsContact C-N 3.35Å; T87-K89 PolarHBondContact O-N 3.23Å; K89-R92 PolarHBondContact O-N 2.97Å; K89-D93 IonicContact NZ-OD2 2.78Å; K89-D93 PolarHBondContact NZ-OD2 2.84Å; K89-D93 WeakPolarHBondContact O-CB 3.3Å; K89-D93 PolarHBondContact O-N 3.43Å; K89-Y133 HydrophobicContact CB-CD1 3.88Å; K89-Y133 HydrophobicContact CB-CE1 3.42Å; K89-Y133 VanDerWaalsContact CB-CE1 3.42Å; K89-Y133 HydrophobicContact CG-CD1 4.28Å; K89-Y133 HydrophobicContact CG-CE1 3.81Å
90	V	90.9	Very high	93.9	Very high	20 Å²	20	30.3 Å²	30.3	12%	0.121	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-47.4	-179.6	178.7	0	0	0	0	110.8	H86 T87 F88 R92 D93 W94 L417	H86-V90 PolarHBondContact O-N 2.87Å; T87-V90 PolarHBondContact O-N 2.8Å; F88-V90 VanDerWaalsContact C-N 3.33Å; V90-R92 PolarHBondContact O-N 3.46Å; V90-D93 CarbonylContact O-C 3.53Å; V90-D93 PolarHBondContact O-N 2.79Å; V90-D93 VanDerWaalsContact O-N 3.09Å; V90-W94 HydrophobicContact CG1-CD2 4.17Å; V90-W94 HydrophobicContact CG1-CZ2 3.82Å; V90-W94 VanDerWaalsContact O-CG 3.3Å; V90-W94 PolarHBondContact O-N 3.48Å; V90-L417 HydrophobicContact CB-CD1 4.34Å; V90-L417 HydrophobicContact CG1-CB 4.13Å; V90-L417 HydrophobicContact CG1-CD1 4.39Å; V90-L417 HydrophobicContact CG1-CD2 4.26Å; V90-L417 HydrophobicContact CG1-CG 4.48Å
91	L	92.3	Very high	94.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-57.8	-46.5	176.5	-68	176.9	0	0	0	111.9	I68 T87 F88 D93 W94 G95 I96 I99 F414 L417	I68-L91 HydrophobicContact CD1-CD1 4.24Å; I68-L91 HydrophobicContact CD1-CD2 3.85Å; T87-L91 HydrophobicContact CG2-CD1 4.23Å; T87-L91 WeakPolarHBondContact O-CG 3.36Å; T87-L91 PolarHBondContact O-N 3.22Å; F88-L91 HydrophobicContact CD1-CD1 4.2Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 2.72Å; L91-W94 CarbonylContact O-C 3.54Å; L91-W94 WeakPolarHBondContact O-CA 3.28Å; L91-W94 WeakPolarHBondContact O-CB 3.26Å; L91-W94 PolarHBondContact O-N 3.27Å; L91-G95 PolarHBondContact O-N 2.85Å; L91-I96 HydrophobicContact CB-CB 4.04Å; L91-I96 HydrophobicContact CB-CG2 4.26Å; L91-I96 HydrophobicContact CD2-CG1 4.41Å; L91-I96 VanDerWaalsContact O-CB 3.3Å; L91-I96 WeakPolarHBondContact O-CB 3.27Å; L91-I96 PolarHBondContact O-N 2.81Å; L91-I99 HydrophobicContact CD1-CD1 3.69Å; L91-F414 HydrophobicContact CD2-CD1 3.46Å; L91-F414 VanDerWaalsContact CD2-CD1 3.46Å; L91-F414 HydrophobicContact CD2-CE1 3.69Å; L91-L417 HydrophobicContact CD2-CD2 4.1Å
92	R	92.7	Very high	94.3	Very high	44 Å²	44	23.4 Å²	23.4	17%	0.166	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-41.2	174.3	-179.9	-155	66.8	176.3	5.4	112	F88 K89 V90 W94 G95	F88-R92 WeakPolarHBondContact O-CB 3.46Å; F88-R92 PolarHBondContact O-N 2.85Å; K89-R92 PolarHBondContact O-N 2.97Å; V90-R92 PolarHBondContact O-N 3.46Å; R92-W94 PolarHBondContact O-N 2.88Å; R92-G95 PolarHBondContact O-N 3.37Å
93	D	92	Very high	94.5	Very high	32 Å²	32	23.2 Å²	23.2	17%	0.171	12%	0.118	C	C	.	.	H	α-helix	trans	-68.8	-18.9	178.4	-64.8	-10.7	0	0	0	111.8	K89 V90 L91 F475 N505	K89-D93 IonicContact NZ-OD2 2.78Å; K89-D93 PolarHBondContact NZ-OD2 2.84Å; K89-D93 WeakPolarHBondContact O-CB 3.3Å; K89-D93 PolarHBondContact O-N 3.43Å; V90-D93 CarbonylContact O-C 3.53Å; V90-D93 PolarHBondContact O-N 2.79Å; V90-D93 VanDerWaalsContact O-N 3.09Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 2.72Å; D93-F475 WeakPolarHBondContact O-CZ 3.32Å; D93-N505 PolarHBondContact O-ND2 2.64Å
94	W	91.7	Very high	94.5	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.027	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.7	170.8	-63.9	3.7	0	0	0	113.5	V90 L91 R92 I96 F414 L417 L424 S428	V90-W94 HydrophobicContact CG1-CD2 4.17Å; V90-W94 HydrophobicContact CG1-CZ2 3.82Å; V90-W94 VanDerWaalsContact O-CG 3.3Å; V90-W94 PolarHBondContact O-N 3.48Å; L91-W94 CarbonylContact O-C 3.54Å; L91-W94 WeakPolarHBondContact O-CA 3.28Å; L91-W94 WeakPolarHBondContact O-CB 3.26Å; L91-W94 PolarHBondContact O-N 3.27Å; R92-W94 PolarHBondContact O-N 2.88Å; W94-I96 VanDerWaalsContact C-N 3.32Å; W94-F414 AromaticContact CE3-CD1 3.96Å; W94-F414 HydrophobicContact CE3-CD1 3.96Å; W94-F414 AromaticContact CE3-CE1 3.42Å; W94-F414 HydrophobicContact CE3-CE1 3.42Å; W94-F414 VanDerWaalsContact CE3-CE1 3.42Å; W94-F414 HydrophobicContact CE3-CZ 4.35Å; W94-F414 AromaticContact CZ3-CD1 3.5Å; W94-F414 HydrophobicContact CZ3-CD1 3.5Å; W94-F414 AromaticContact CZ3-CE1 3.34Å; W94-F414 HydrophobicContact CZ3-CE1 3.34Å; W94-F414 HydrophobicContact CZ3-CZ 4.27Å; W94-L417 HydrophobicContact CH2-CB 4.25Å; W94-L417 HydrophobicContact CH2-CD2 3.75Å; W94-L417 HydrophobicContact CZ2-CB 4.31Å; W94-L417 HydrophobicContact CZ2-CD2 4.29Å; W94-L417 HydrophobicContact CZ3-CD2 3.88Å; W94-L424 HydrophobicContact CB-CD1 4.02Å; W94-L424 HydrophobicContact CD2-CD1 3.46Å; W94-L424 VanDerWaalsContact CD2-CD1 3.46Å; W94-L424 HydrophobicContact CD2-CD2 3.74Å; W94-L424 HydrophobicContact CD2-CG 4.25Å; W94-L424 VanDerWaalsContact CE2-CD2 3.49Å; W94-L424 HydrophobicContact CE3-CD1 3.37Å; W94-L424 HydrophobicContact CE3-CD2 4.32Å; W94-L424 HydrophobicContact CE3-CG 4.47Å; W94-L424 HydrophobicContact CG-CD1 3.75Å; W94-L424 HydrophobicContact CG-CD2 3.95Å; W94-L424 HydrophobicContact CG-CG 4.45Å; W94-L424 HydrophobicContact CH2-CD1 4.47Å; W94-L424 HydrophobicContact CH2-CD2 4.44Å; W94-L424 HydrophobicContact CZ2-CD2 3.9Å; W94-L424 HydrophobicContact CZ3-CD1 3.92Å; W94-S428 WeakPolarHBondContact O-CB 3.22Å; W94-S428 PolarHBondContact O-OG 3.01Å; W94-S428 VanDerWaalsContact O-OG 3.11Å
95	G	94.8	Very high	94.6	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	4.5	178.9	0	0	0	0	0	114	L91 R92 N97 Y431 F475	L91-G95 PolarHBondContact O-N 2.85Å; R92-G95 PolarHBondContact O-N 3.37Å; G95-N97 PolarHBondContact O-N 2.75Å; G95-Y431 WeakPolarHBondContact O-CE1 3.33Å; G95-Y431 PolarHBondContact O-OH 3.28Å; G95-F475 VanDerWaalsContact CA-CE2 3.4Å; G95-F475 VanDerWaalsContact N-CE2 3.34Å
96	I	95.4	Very high	94.6	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.085	C	C	.	.			trans	-72.1	123.1	174.2	-59.6	-53.8	0	0	0	109.1	H66 I68 L91 W94 V98 I99	H66-I96 WeakPolarHBondContact O-CA 3.44Å; I68-I96 HydrophobicContact CG1-CG2 4.49Å; I68-I96 HydrophobicContact CG2-CD1 3.86Å; I68-I96 HydrophobicContact CG2-CG1 4.3Å; L91-I96 HydrophobicContact CB-CB 4.04Å; L91-I96 HydrophobicContact CB-CG2 4.26Å; L91-I96 HydrophobicContact CD2-CG1 4.41Å; L91-I96 VanDerWaalsContact O-CB 3.3Å; L91-I96 WeakPolarHBondContact O-CB 3.27Å; L91-I96 PolarHBondContact O-N 2.81Å; W94-I96 VanDerWaalsContact C-N 3.32Å; I96-V98 WeakPolarHBondContact CG2-O 3.47Å; I96-I99 HydrophobicContact CG2-CG1 4.48Å
97	N	97.3	Very high	94.8	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.043	7%	0.069	C	C	.	.			trans	-123.4	1.8	178.6	70.4	0.9	0	0	0	113.2	L64 F65 H66 G95 Y136 Y431	L64-N97 PolarHBondContact O-ND2 3.37Å; F65-N97 WeakPolarHBondContact CA-OD1 3.36Å; H66-N97 PolarHBondContact N-OD1 3.05Å; H66-N97 PolarHBondContact O-N 2.81Å; H66-N97 PolarHBondContact O-OD1 2.82Å; G95-N97 PolarHBondContact O-N 2.75Å; N97-Y136 PolarHBondContact O-N 2.76Å; N97-Y431 PolarHBondContact ND2-OH 2.89Å; N97-Y431 VanDerWaalsContact ND2-OH 3.15Å
98	V	98.4	Very high	95.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.1	172.2	70.3	0	0	0	0	111.5	F65 H66 G67 I68 I96 Y136 I138 L231 F370 T406	F65-V98 HydrophobicContact CB-CB 4.1Å; F65-V98 HydrophobicContact CB-CG1 3.66Å; F65-V98 HydrophobicContact CD1-CB 4.16Å; F65-V98 HydrophobicContact CG-CB 4.47Å; H66-V98 PolarHBondContact O-N 3.15Å; G67-V98 WeakPolarHBondContact CA-O 3.46Å; I68-V98 PolarHBondContact N-O 3.4Å; I96-V98 WeakPolarHBondContact CG2-O 3.47Å; V98-Y136 CarbonylContact C-O 3.47Å; V98-Y136 VanDerWaalsContact CA-O 3.25Å; V98-Y136 WeakPolarHBondContact CA-O 3.4Å; V98-I138 HydrophobicContact CG2-CD1 3.99Å; V98-I138 HydrophobicContact CG2-CG1 3.99Å; V98-L231 HydrophobicContact CG2-CD2 3.99Å; V98-F370 HydrophobicContact CG1-CZ 3.92Å; V98-T406 HydrophobicContact CG1-CG2 3.89Å
99	I	97.1	Very high	95.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.6	170	-63	-178.2	0	0	0	108.8	I68 C70 F88 L91 I96 L101 V135 Y136 I137 I138	I68-I99 HydrophobicContact CG1-CG1 4.01Å; I68-I99 WeakPolarHBondContact O-CA 3.35Å; C70-I99 HydrophobicContact CB-CG2 3.48Å; C70-I99 VanDerWaalsContact CB-CG2 3.48Å; C70-I99 VanDerWaalsContact SG-CG2 3.58Å; F88-I99 HydrophobicContact CD1-CD1 4.16Å; F88-I99 HydrophobicContact CE1-CD1 3.54Å; F88-I99 HydrophobicContact CZ-CD1 4.49Å; L91-I99 HydrophobicContact CD1-CD1 3.69Å; I96-I99 HydrophobicContact CG2-CG1 4.48Å; I99-L101 HydrophobicContact CG2-CB 4.26Å; I99-L101 PolarHBondContact O-N 2.9Å; I99-V135 HydrophobicContact CD1-CG1 4.17Å; I99-V135 HydrophobicContact CG1-CG1 3.88Å; I99-Y136 PolarHBondContact N-O 3.49Å; I99-I137 HydrophobicContact CB-CD1 3.96Å; I99-I137 CarbonylContact O-C 3.33Å; I99-I137 WeakPolarHBondContact O-CA 3.47Å; I99-I138 PolarHBondContact O-N 2.87Å
100	R	97.7	Very high	95.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	100.5	164.5	-176.1	165	176.8	-95.8	10.7	108.4	I68 N69 C70 I138 D140 D234 N237 E283 E373 T406	I68-R100 PolarHBondContact O-N 3.27Å; N69-R100 CarbonylContact C-O 3.55Å; N69-R100 WeakPolarHBondContact CA-O 3.29Å; N69-R100 WeakPolarHBondContact OD1-CB 3.38Å; N69-R100 VanDerWaalsContact OD1-CD 3.28Å; N69-R100 WeakPolarHBondContact OD1-CD 3.16Å; N69-R100 WeakPolarHBondContact OD1-CG 3.31Å; N69-R100 PolarHBondContact OD1-NH1 3.41Å; C70-R100 PolarHBondContact N-O 2.98Å; R100-I138 CarbonylContact C-O 3.59Å; R100-I138 WeakPolarHBondContact CA-O 3.37Å; R100-I138 HydrophobicContact CB-CB 4.39Å; R100-I138 HydrophobicContact CG-CB 4.42Å; R100-I138 HydrophobicContact CG-CG2 4.34Å; R100-D140 HydrophobicContact CG-CB 3.91Å; R100-D140 IonicContact CZ-OD1 3.36Å; R100-D140 IonicContact CZ-OD2 3.5Å; R100-D140 IonicContact NE-OD2 3.8Å; R100-D140 IonicContact NH1-OD2 3.43Å; R100-D140 PolarHBondContact NH1-OD2 3.38Å; R100-D140 IonicContact NH2-OD1 2.65Å; R100-D140 PolarHBondContact NH2-OD1 3.13Å; R100-D140 IonicContact NH2-OD2 2.7Å; R100-D234 IonicContact CZ-OD2 3.32Å; R100-D234 IonicContact NE-OD2 2.76Å; R100-D234 PolarHBondContact NE-OD2 2.88Å; R100-D234 IonicContact NH2-OD2 3.97Å; R100-D234 PolarHBondContact NH2-OD2 3.38Å; R100-N237 PolarHBondContact NH1-OD1 2.86Å; R100-N237 PolarHBondContact NH2-OD1 3.48Å; R100-E283 IonicContact NH2-OE1 2.75Å; R100-E283 PolarHBondContact NH2-OE1 3.09Å; R100-E373 IonicContact CZ-OE1 2.83Å; R100-E373 IonicContact NH1-OE1 3.09Å; R100-E373 PolarHBondContact NH1-OE1 3.13Å; R100-E373 IonicContact NH2-OE1 3.92Å; R100-T406 HydrophobicContact CB-CG2 4.1Å
101	L	97	Very high	95.7	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.9	-170	180	69.5	0	0	0	109.9	C70 L82 I99 F103 I123 I126 I127 I137 I138 D140	C70-L101 HydrophobicContact CB-CD1 4.16Å; L82-L101 HydrophobicContact CD1-CD1 4.07Å; I99-L101 HydrophobicContact CG2-CB 4.26Å; I99-L101 PolarHBondContact O-N 2.9Å; L101-F103 PolarHBondContact O-N 2.92Å; L101-I123 HydrophobicContact CD2-CG2 4.21Å; L101-I126 HydrophobicContact CD1-CG2 4.23Å; L101-I126 HydrophobicContact CD2-CG2 3.86Å; L101-I127 HydrophobicContact CD2-CG1 4.38Å; L101-I137 HydrophobicContact CB-CG2 3.84Å; L101-I137 HydrophobicContact CD2-CG2 4.06Å; L101-I138 PolarHBondContact N-O 3.11Å; L101-D140 PolarHBondContact O-N 2.96Å
102	G	95.5	Very high	95.9	Very high	6 Å²	6	19.4 Å²	19.4	6%	0.062	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.3	174.6	0	0	0	0	0	111.2	C70	C70-G102 PolarHBondContact O-N 3.38Å
103	F	97	Very high	96	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.134	C	C	.	.			trans	-109.7	94.2	173.9	-176.6	-142.7	0	0	0	110	L101 W105 L108 Y119 I120 I123 I139 D140 Y216 T220 F224	L101-F103 PolarHBondContact O-N 2.92Å; F103-W105 PolarHBondContact O-N 2.82Å; F103-L108 HydrophobicContact CE1-CD1 4.33Å; F103-L108 HydrophobicContact CE1-CD2 3.88Å; F103-L108 HydrophobicContact CE2-CD1 4.23Å; F103-L108 HydrophobicContact CZ-CB 4.48Å; F103-L108 HydrophobicContact CZ-CD1 3.59Å; F103-L108 HydrophobicContact CZ-CD2 3.97Å; F103-L108 HydrophobicContact CZ-CG 4.22Å; F103-Y119 HydrophobicContact CD2-CD1 4.26Å; F103-Y119 AromaticContact CD2-CE1 3.4Å; F103-Y119 HydrophobicContact CD2-CE1 3.4Å; F103-Y119 VanDerWaalsContact CD2-CE1 3.4Å; F103-Y119 AromaticContact CD2-CZ 3.98Å; F103-Y119 AromaticContact CE2-CD1 3.71Å; F103-Y119 HydrophobicContact CE2-CD1 3.71Å; F103-Y119 AromaticContact CE2-CE1 3.32Å; F103-Y119 HydrophobicContact CE2-CE1 3.32Å; F103-Y119 HydrophobicContact CZ-CE1 4.5Å; F103-I120 HydrophobicContact CZ-CG1 4.26Å; F103-I123 HydrophobicContact CD2-CB 4.39Å; F103-I123 HydrophobicContact CD2-CD1 4.43Å; F103-I123 HydrophobicContact CD2-CG1 3.82Å; F103-I123 HydrophobicContact CD2-CG2 4.13Å; F103-I123 HydrophobicContact CE2-CB 4.28Å; F103-I123 HydrophobicContact CE2-CG1 3.89Å; F103-I123 HydrophobicContact CE2-CG2 4.32Å; F103-I139 HydrophobicContact CB-CG2 3.58Å; F103-I139 HydrophobicContact CD1-CG2 4.02Å; F103-I139 HydrophobicContact CG-CG2 4.18Å; F103-D140 PolarHBondContact N-O 2.71Å; F103-Y216 WeakPolarHBondContact CB-OH 3.45Å; F103-Y216 HydrophobicContact CD1-CE1 4.49Å; F103-Y216 HydrophobicContact CD1-CE2 4.18Å; F103-Y216 AromaticContact CD1-CZ 3.75Å; F103-Y216 VanDerWaalsContact CD1-OH 3.3Å; F103-Y216 WeakPolarHBondContact CD1-OH 3.39Å; F103-Y216 PolarHBondContact O-OH 2.78Å; F103-T220 HydrophobicContact CD1-CG2 4.15Å; F103-T220 HydrophobicContact CE1-CG2 4.22Å; F103-T220 VanDerWaalsContact CE1-OG1 3.29Å; F103-T220 WeakPolarHBondContact CE1-OG1 3.5Å; F103-F224 HydrophobicContact CD1-CE2 4.36Å; F103-F224 AromaticContact CE1-CE2 3.83Å; F103-F224 HydrophobicContact CE1-CE2 3.83Å; F103-F224 HydrophobicContact CE2-CE2 4.38Å; F103-F224 AromaticContact CZ-CE2 3.83Å; F103-F224 HydrophobicContact CZ-CE2 3.83Å; F103-F224 HydrophobicContact CZ-CZ 4.28Å
104	S	96	Very high	96.3	Very high	20 Å²	20	27.8 Å²	27.8	14%	0.14	15%	0.146	C	C	.	.			trans	-64.6	121.9	-168.1	173.3	0	0	0	0	112.3	F77 I106 A107 L108 Y119	F77-S104 WeakPolarHBondContact CD1-OG 3.45Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 2.96Å; S104-I106 PolarHBondContact OG-N 3.15Å; S104-A107 PolarHBondContact O-N 3.46Å; S104-A107 PolarHBondContact OG-N 2.98Å; S104-L108 WeakPolarHBondContact O-CB 3.49Å; S104-L108 PolarHBondContact O-N 3.26Å; S104-Y119 WeakPolarHBondContact CB-OH 2.93Å; S104-Y119 PolarHBondContact N-OH 2.92Å
105	W	96.8	Very high	96.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-36.9	174.1	-161.6	-11.6	0	0	0	111.8	F103 A107 L108 K109 L141 V156 P157 F160 Y212 F213 Y216	F103-W105 PolarHBondContact O-N 2.82Å; W105-A107 VanDerWaalsContact C-N 3.32Å; W105-A107 PolarHBondContact O-N 2.92Å; W105-L108 PolarHBondContact O-N 2.85Å; W105-K109 PolarHBondContact O-N 2.78Å; W105-L141 HydrophobicContact CB-CD1 4.19Å; W105-L141 HydrophobicContact CE3-CD1 4Å; W105-L141 HydrophobicContact CE3-CD2 4.16Å; W105-L141 HydrophobicContact CZ3-CD2 4.26Å; W105-V156 HydrophobicContact CD2-CG1 4.36Å; W105-V156 HydrophobicContact CE3-CB 4.23Å; W105-V156 HydrophobicContact CE3-CG1 3.53Å; W105-V156 HydrophobicContact CZ3-CG1 3.65Å; W105-P157 HydrophobicContact CG-CG 4.27Å; W105-F160 HydrophobicContact CH2-CD2 4.02Å; W105-F160 AromaticContact CH2-CE2 3.9Å; W105-F160 HydrophobicContact CH2-CE2 3.9Å; W105-F160 HydrophobicContact CZ2-CD2 4.18Å; W105-F160 HydrophobicContact CZ2-CE2 4.47Å; W105-Y212 WeakPolarHBondContact CZ2-O 3.48Å; W105-F213 HydrophobicContact CE3-CE1 4.49Å; W105-F213 HydrophobicContact CH2-CB 4.28Å; W105-F213 AromaticContact CH2-CD1 3.85Å; W105-F213 HydrophobicContact CH2-CD1 3.85Å; W105-F213 AromaticContact CH2-CD2 3.77Å; W105-F213 HydrophobicContact CH2-CD2 3.77Å; W105-F213 HydrophobicContact CH2-CE1 4.13Å; W105-F213 HydrophobicContact CH2-CE2 4.04Å; W105-F213 AromaticContact CH2-CG 3.67Å; W105-F213 HydrophobicContact CH2-CG 3.67Å; W105-F213 HydrophobicContact CH2-CZ 4.21Å; W105-F213 AromaticContact CZ3-CD1 3.56Å; W105-F213 HydrophobicContact CZ3-CD1 3.56Å; W105-F213 HydrophobicContact CZ3-CD2 4.11Å; W105-F213 AromaticContact CZ3-CE1 3.49Å; W105-F213 HydrophobicContact CZ3-CE1 3.49Å; W105-F213 VanDerWaalsContact CZ3-CE1 3.49Å; W105-F213 HydrophobicContact CZ3-CE2 4.03Å; W105-F213 AromaticContact CZ3-CG 3.89Å; W105-F213 HydrophobicContact CZ3-CG 3.89Å; W105-F213 AromaticContact CZ3-CZ 3.72Å; W105-F213 HydrophobicContact CZ3-CZ 3.72Å; W105-Y216 HydrophobicContact CB-CD2 4.02Å; W105-Y216 HydrophobicContact CB-CE2 3.98Å; W105-Y216 AromaticContact CD1-CD2 3.79Å; W105-Y216 AromaticContact CD2-CD2 3.89Å; W105-Y216 HydrophobicContact CD2-CD2 3.89Å; W105-Y216 HydrophobicContact CD2-CG 4.4Å; W105-Y216 HydrophobicContact CE3-CD2 4.46Å; W105-Y216 AromaticContact CG-CD2 3.66Å; W105-Y216 HydrophobicContact CG-CD2 3.66Å; W105-Y216 HydrophobicContact CG-CE2 4.15Å
106	I	95.2	Very high	96.8	Very high	31 Å²	31	31 Å²	31	16%	0.159	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-45.6	175.2	-65.2	166.8	0	0	0	111.1	F77 S104 K109 P110 A155	F77-I106 HydrophobicContact CE2-CG2 4.31Å; F77-I106 HydrophobicContact CZ-CB 4.44Å; F77-I106 HydrophobicContact CZ-CG2 4.01Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 2.96Å; S104-I106 PolarHBondContact OG-N 3.15Å; I106-K109 CarbonylContact O-C 3.51Å; I106-P110 VanDerWaalsContact O-CA 3.32Å; I106-P110 WeakPolarHBondContact O-CA 3.38Å; I106-A155 WeakPolarHBondContact CD1-O 3.28Å; I106-A155 WeakPolarHBondContact CG1-O 3.45Å
107	A	96	Very high	96.9	Very high	14 Å²	14	35.9 Å²	35.9	12%	0.116	19%	0.193	C	C	.	.	H	α-helix	trans	-74.1	-35.3	-178.8	0	0	0	0	0	112.4	F77 S104 W105 S116 Y119	F77-A107 HydrophobicContact CB-CB 3.77Å; F77-A107 HydrophobicContact CD2-CB 3.69Å; F77-A107 HydrophobicContact CG-CB 3.92Å; S104-A107 PolarHBondContact O-N 3.46Å; S104-A107 PolarHBondContact OG-N 2.98Å; W105-A107 VanDerWaalsContact C-N 3.32Å; W105-A107 PolarHBondContact O-N 2.92Å; A107-S116 WeakPolarHBondContact O-CB 3.45Å; A107-Y119 HydrophobicContact CB-CD1 3.64Å; A107-Y119 HydrophobicContact CB-CD2 3.7Å; A107-Y119 HydrophobicContact CB-CE1 3.56Å; A107-Y119 HydrophobicContact CB-CE2 3.64Å; A107-Y119 HydrophobicContact CB-CG 3.71Å
108	L	97.9	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-45.4	176.1	-178.6	60.6	0	0	0	112.1	F103 S104 W105 T115 S116 Y119 I120 Y216 I219	F103-L108 HydrophobicContact CE1-CD1 4.33Å; F103-L108 HydrophobicContact CE1-CD2 3.88Å; F103-L108 HydrophobicContact CE2-CD1 4.23Å; F103-L108 HydrophobicContact CZ-CB 4.48Å; F103-L108 HydrophobicContact CZ-CD1 3.59Å; F103-L108 HydrophobicContact CZ-CD2 3.97Å; F103-L108 HydrophobicContact CZ-CG 4.22Å; S104-L108 WeakPolarHBondContact O-CB 3.49Å; S104-L108 PolarHBondContact O-N 3.26Å; W105-L108 PolarHBondContact O-N 2.85Å; L108-T115 HydrophobicContact CD1-CG2 4.23Å; L108-T115 WeakPolarHBondContact O-CA 3.37Å; L108-S116 PolarHBondContact O-N 3.06Å; L108-Y119 HydrophobicContact CB-CD1 4.3Å; L108-Y119 HydrophobicContact CB-CE1 4.46Å; L108-I120 HydrophobicContact CD1-CD1 3.59Å; L108-I120 HydrophobicContact CD1-CG1 3.44Å; L108-I120 VanDerWaalsContact CD1-CG1 3.44Å; L108-Y216 HydrophobicContact CD2-CD2 3.49Å; L108-Y216 VanDerWaalsContact CD2-CD2 3.49Å; L108-Y216 HydrophobicContact CD2-CE2 3.75Å; L108-Y216 HydrophobicContact CD2-CG 4.26Å; L108-I219 HydrophobicContact CD1-CG2 3.9Å; L108-I219 HydrophobicContact CD2-CD1 4.5Å; L108-I219 HydrophobicContact CD2-CG2 4.4Å
109	K	97.1	Very high	97	Very high	4 Å²	4	43 Å²	43	2%	0.017	23%	0.226	C	C	.	.			trans	-130.7	71.4	-173	-74.3	-110	170.9	173.3	0	110.7	W105 I106 H111 E112 E114 T115 P157 W159 E215	W105-K109 PolarHBondContact O-N 2.78Å; I106-K109 CarbonylContact O-C 3.51Å; K109-H111 PolarHBondContact O-N 3.4Å; K109-E112 PolarHBondContact NZ-O 3.02Å; K109-E114 WeakPolarHBondContact CD-O 3.5Å; K109-T115 WeakPolarHBondContact CE-OG1 3.28Å; K109-P157 HydrophobicContact CB-CG 4.49Å; K109-P157 VanDerWaalsContact O-CG 3.25Å; K109-P157 WeakPolarHBondContact O-CG 3.48Å; K109-W159 HydrophobicContact CB-CZ2 3.81Å; K109-W159 HydrophobicContact CD-CZ2 4.25Å; K109-W159 PolarHBondContact O-NE1 2.89Å; K109-E215 IonicContact NZ-OE1 2.61Å; K109-E215 PolarHBondContact NZ-OE1 2.99Å; K109-E215 IonicContact NZ-OE2 2.79Å; K109-E215 PolarHBondContact NZ-OE2 2.93Å
110	P	95.1	Very high	97	Very high	48 Å²	48	43.1 Å²	43.1	31%	0.312	23%	0.226	S	C	.	.	S	Bend	trans	-60	-32.9	178.6	24.4	-33.9	0	0	0	111.9	I106 E114	I106-P110 VanDerWaalsContact O-CA 3.32Å; I106-P110 WeakPolarHBondContact O-CA 3.38Å; P110-E114 HydrophobicContact CG-CG 4.29Å
111	H	96.4	Very high	97.1	Very high	118 Å²	118	47.1 Å²	47.1	55%	0.546	25%	0.247	S	C	.	.	S	Bend	trans	-128.8	155	171.5	-60.7	-65.7	0	0	0	110.3	K109 N113 E114	K109-H111 PolarHBondContact O-N 3.4Å; H111-N113 VanDerWaalsContact C-N 3.33Å; H111-N113 PolarHBondContact O-N 3.01Å; H111-E114 HydrophobicContact CB-CB 3.94Å; H111-E114 IonicContact CD2-OE2 3.32Å; H111-E114 PolarHBondContact CD2-OE2 3.13Å; H111-E114 VanDerWaalsContact CD2-OE2 3.32Å; H111-E114 PolarHBondContact O-N 2.65Å; H111-E114 VanDerWaalsContact O-O 3.05Å
112	E	95.9	Very high	97.2	Very high	60 Å²	60	48.4 Å²	48.4	28%	0.28	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-47.7	-175.7	-178.8	175	-171.4	0	0	112.8	K109 E114 W159 K163 Y212	K109-E112 PolarHBondContact NZ-O 3.02Å; E112-E114 VanDerWaalsContact C-N 3.32Å; E112-E114 PolarHBondContact O-N 3.06Å; E112-W159 HydrophobicContact CB-CD2 3.74Å; E112-W159 HydrophobicContact CB-CE3 3.74Å; E112-W159 HydrophobicContact CB-CG 4.1Å; E112-W159 HydrophobicContact CB-CZ3 4.33Å; E112-W159 HydrophobicContact CG-CD2 4.41Å; E112-W159 HydrophobicContact CG-CE3 3.9Å; E112-W159 HydrophobicContact CG-CZ3 4.13Å; E112-K163 WeakPolarHBondContact OE1-CE 3.42Å; E112-K163 IonicContact OE1-NZ 2.85Å; E112-K163 PolarHBondContact OE1-NZ 3.38Å; E112-K163 WeakPolarHBondContact OE2-CE 3.34Å; E112-K163 IonicContact OE2-NZ 2.73Å; E112-K163 PolarHBondContact OE2-NZ 3.07Å; E112-Y212 HydrophobicContact CG-CE1 4.47Å
113	N	96.5	Very high	97.3	Very high	161 Å²	161	48.2 Å²	48.2	86%	0.861	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	11.1	-177.9	-62.8	-36.9	0	0	0	113.4	H111	H111-N113 VanDerWaalsContact C-N 3.33Å; H111-N113 PolarHBondContact O-N 3.01Å
114	E	97.3	Very high	97.4	Very high	92 Å²	92	50.3 Å²	50.3	43%	0.43	26%	0.262	S	S	.	.			trans	-117.7	134.6	-179.3	-171	177.3	148.4	0	0	110.6	K109 P110 H111 E112	K109-E114 WeakPolarHBondContact CD-O 3.5Å; P110-E114 HydrophobicContact CG-CG 4.29Å; H111-E114 HydrophobicContact CB-CB 3.94Å; H111-E114 IonicContact CD2-OE2 3.32Å; H111-E114 PolarHBondContact CD2-OE2 3.13Å; H111-E114 VanDerWaalsContact CD2-OE2 3.32Å; H111-E114 PolarHBondContact O-N 2.65Å; H111-E114 VanDerWaalsContact O-O 3.05Å; E112-E114 VanDerWaalsContact C-N 3.32Å; E112-E114 PolarHBondContact O-N 3.06Å
115	T	98.3	Very high	97.5	Very high	49 Å²	49	54.2 Å²	54.2	30%	0.301	28%	0.276	S	S	.	.			trans	-119.5	120.3	170.2	-58	0	0	0	0	108.2	L108 K109 L117 I120 I219	L108-T115 HydrophobicContact CD1-CG2 4.23Å; L108-T115 WeakPolarHBondContact O-CA 3.37Å; K109-T115 WeakPolarHBondContact CE-OG1 3.28Å; T115-L117 PolarHBondContact O-N 2.98Å; T115-I120 HydrophobicContact CG2-CD1 3.62Å; T115-I219 HydrophobicContact CG2-CD1 4Å; T115-I219 HydrophobicContact CG2-CG2 4.21Å
116	S	98.3	Very high	97.6	Very high	26 Å²	26	54.1 Å²	54.1	18%	0.182	28%	0.276	C	S	.	.			trans	-75.2	93.1	179.8	-178.2	0	0	0	0	110.5	A107 L108 E118 Y119 I120	A107-S116 WeakPolarHBondContact O-CB 3.45Å; L108-S116 PolarHBondContact O-N 3.06Å; S116-E118 VanDerWaalsContact C-N 3.25Å; S116-E118 PolarHBondContact O-N 3.08Å; S116-Y119 PolarHBondContact O-N 3.12Å; S116-Y119 WeakPolarHBondContact OG-CB 3.39Å; S116-Y119 PolarHBondContact OG-N 3.13Å; S116-I120 WeakPolarHBondContact O-CG1 3.23Å; S116-I120 PolarHBondContact O-N 3.41Å; S116-I120 VanDerWaalsContact O-N 3.16Å
117	L	98.3	Very high	97.8	Very high	108 Å²	108	52.6 Å²	52.6	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-61.8	-35.8	175.3	-64.9	179.7	0	0	0	111.7	T115 Y119 I120 D121	T115-L117 PolarHBondContact O-N 2.98Å; L117-Y119 PolarHBondContact O-N 2.69Å; L117-I120 HydrophobicContact CD2-CD1 4.29Å; L117-I120 PolarHBondContact O-N 3.48Å; L117-D121 PolarHBondContact O-N 2.97Å
118	E	98.4	Very high	97.9	Very high	148 Å²	148	55 Å²	55	69%	0.692	28%	0.279	S	S	*	.	H	α-helix	trans	-60.1	-45.4	176.3	-177.6	-179.9	-178.2	0	0	111.8	S116 I120 D121 I122	S116-E118 VanDerWaalsContact C-N 3.25Å; S116-E118 PolarHBondContact O-N 3.08Å; E118-I120 VanDerWaalsContact C-N 3.35Å; E118-I120 PolarHBondContact O-N 3.41Å; E118-D121 PolarHBondContact O-N 3.25Å; E118-I122 HydrophobicContact CG-CD1 4.23Å; E118-I122 WeakPolarHBondContact O-CG1 3.35Å; E118-I122 PolarHBondContact O-N 2.8Å
119	Y	98.4	Very high	97.9	Very high	9 Å²	9	55 Å²	55	4%	0.035	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-41.9	176.4	-179.7	-115.5	0	0	0	111.5	F77 Y78 F103 S104 A107 L108 S116 L117 D121 I122 I123	F77-Y119 HydrophobicContact CB-CE2 4.11Å; F77-Y119 PolarHBondContact O-OH 2.96Å; Y78-Y119 HydrophobicContact CD1-CD2 4.38Å; Y78-Y119 HydrophobicContact CD1-CE2 4.17Å; F103-Y119 HydrophobicContact CD2-CD1 4.26Å; F103-Y119 AromaticContact CD2-CE1 3.4Å; F103-Y119 HydrophobicContact CD2-CE1 3.4Å; F103-Y119 VanDerWaalsContact CD2-CE1 3.4Å; F103-Y119 AromaticContact CD2-CZ 3.98Å; F103-Y119 AromaticContact CE2-CD1 3.71Å; F103-Y119 HydrophobicContact CE2-CD1 3.71Å; F103-Y119 AromaticContact CE2-CE1 3.32Å; F103-Y119 HydrophobicContact CE2-CE1 3.32Å; F103-Y119 HydrophobicContact CZ-CE1 4.5Å; S104-Y119 WeakPolarHBondContact CB-OH 2.93Å; S104-Y119 PolarHBondContact N-OH 2.92Å; A107-Y119 HydrophobicContact CB-CD1 3.64Å; A107-Y119 HydrophobicContact CB-CD2 3.7Å; A107-Y119 HydrophobicContact CB-CE1 3.56Å; A107-Y119 HydrophobicContact CB-CE2 3.64Å; A107-Y119 HydrophobicContact CB-CG 3.71Å; L108-Y119 HydrophobicContact CB-CD1 4.3Å; L108-Y119 HydrophobicContact CB-CE1 4.46Å; S116-Y119 PolarHBondContact O-N 3.12Å; S116-Y119 WeakPolarHBondContact OG-CB 3.39Å; S116-Y119 PolarHBondContact OG-N 3.13Å; L117-Y119 PolarHBondContact O-N 2.69Å; Y119-D121 VanDerWaalsContact C-N 3.34Å; Y119-D121 PolarHBondContact O-N 2.98Å; Y119-I122 PolarHBondContact O-N 3.45Å; Y119-I123 HydrophobicContact CD1-CG1 4.45Å; Y119-I123 HydrophobicContact CD2-CG1 4.38Å; Y119-I123 HydrophobicContact CE1-CG1 4.07Å; Y119-I123 HydrophobicContact CE2-CD1 3.97Å; Y119-I123 HydrophobicContact CE2-CG1 3.97Å; Y119-I123 WeakPolarHBondContact O-CG1 3.3Å; Y119-I123 PolarHBondContact O-N 3.31Å
120	I	98.7	Very high	97.9	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-43.9	176.6	-62.5	167.5	0	0	0	110.9	F103 L108 T115 S116 L117 E118 I122 I123 E124 I219 R223 F224	F103-I120 HydrophobicContact CZ-CG1 4.26Å; L108-I120 HydrophobicContact CD1-CD1 3.59Å; L108-I120 HydrophobicContact CD1-CG1 3.44Å; L108-I120 VanDerWaalsContact CD1-CG1 3.44Å; T115-I120 HydrophobicContact CG2-CD1 3.62Å; S116-I120 WeakPolarHBondContact O-CG1 3.23Å; S116-I120 PolarHBondContact O-N 3.41Å; S116-I120 VanDerWaalsContact O-N 3.16Å; L117-I120 HydrophobicContact CD2-CD1 4.29Å; L117-I120 PolarHBondContact O-N 3.48Å; E118-I120 VanDerWaalsContact C-N 3.35Å; E118-I120 PolarHBondContact O-N 3.41Å; I120-I122 VanDerWaalsContact C-N 3.31Å; I120-I122 PolarHBondContact O-N 3.43Å; I120-I123 PolarHBondContact O-N 3.28Å; I120-E124 WeakPolarHBondContact O-CB 3.36Å; I120-E124 PolarHBondContact O-N 3.31Å; I120-I219 HydrophobicContact CD1-CG2 3.58Å; I120-I219 HydrophobicContact CG1-CG2 4.48Å; I120-R223 HydrophobicContact CG2-CB 4.08Å; I120-R223 HydrophobicContact CG2-CG 3.54Å; I120-F224 HydrophobicContact CG2-CE1 4.27Å; I120-F224 HydrophobicContact CG2-CZ 3.88Å
121	D	98.8	Very high	98	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-37.1	178.8	-66.9	-8.8	0	0	0	111.7	L117 E118 Y119 E124 K125 R223	L117-D121 PolarHBondContact O-N 2.97Å; E118-D121 PolarHBondContact O-N 3.25Å; Y119-D121 VanDerWaalsContact C-N 3.34Å; Y119-D121 PolarHBondContact O-N 2.98Å; D121-E124 PolarHBondContact O-N 2.81Å; D121-K125 WeakPolarHBondContact O-CB 3.25Å; D121-K125 PolarHBondContact O-N 3.2Å; D121-R223 IonicContact OD1-CZ 3.34Å; D121-R223 IonicContact OD1-NH1 2.8Å; D121-R223 PolarHBondContact OD1-NH1 3.13Å; D121-R223 IonicContact OD1-NH2 3.01Å; D121-R223 PolarHBondContact OD1-NH2 2.79Å; D121-R223 VanDerWaalsContact OD1-NH2 3.09Å
122	I	98.6	Very high	98	Very high	31 Å²	31	53.3 Å²	53.3	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-46.8	174.5	-73.6	165.9	0	0	0	111.3	Y78 L83 E118 Y119 I120 E124 K125 I126	Y78-I122 HydrophobicContact CD1-CG2 3.62Å; Y78-I122 HydrophobicContact CD2-CG2 3.81Å; Y78-I122 HydrophobicContact CE1-CD1 3.82Å; Y78-I122 HydrophobicContact CE1-CG2 3.69Å; Y78-I122 HydrophobicContact CE2-CG2 3.9Å; Y78-I122 HydrophobicContact CG-CG2 3.69Å; L83-I122 HydrophobicContact CD2-CG2 4.21Å; E118-I122 HydrophobicContact CG-CD1 4.23Å; E118-I122 WeakPolarHBondContact O-CG1 3.35Å; E118-I122 PolarHBondContact O-N 2.8Å; Y119-I122 PolarHBondContact O-N 3.45Å; I120-I122 VanDerWaalsContact C-N 3.31Å; I120-I122 PolarHBondContact O-N 3.43Å; I122-E124 VanDerWaalsContact C-N 3.33Å; I122-K125 WeakPolarHBondContact O-CB 3.47Å; I122-K125 PolarHBondContact O-N 2.8Å; I122-I126 HydrophobicContact CG2-CD1 4.35Å; I122-I126 WeakPolarHBondContact O-CG1 3.25Å; I122-I126 PolarHBondContact O-N 3Å
123	I	98.7	Very high	97.9	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-39.4	178	-63.6	-63.3	0	0	0	110.6	L101 F103 Y119 I120 K125 I126 I127 F224	L101-I123 HydrophobicContact CD2-CG2 4.21Å; F103-I123 HydrophobicContact CD2-CB 4.39Å; F103-I123 HydrophobicContact CD2-CD1 4.43Å; F103-I123 HydrophobicContact CD2-CG1 3.82Å; F103-I123 HydrophobicContact CD2-CG2 4.13Å; F103-I123 HydrophobicContact CE2-CB 4.28Å; F103-I123 HydrophobicContact CE2-CG1 3.89Å; F103-I123 HydrophobicContact CE2-CG2 4.32Å; Y119-I123 HydrophobicContact CD1-CG1 4.45Å; Y119-I123 HydrophobicContact CD2-CG1 4.38Å; Y119-I123 HydrophobicContact CE1-CG1 4.07Å; Y119-I123 HydrophobicContact CE2-CD1 3.97Å; Y119-I123 HydrophobicContact CE2-CG1 3.97Å; Y119-I123 WeakPolarHBondContact O-CG1 3.3Å; Y119-I123 PolarHBondContact O-N 3.31Å; I120-I123 PolarHBondContact O-N 3.28Å; I123-K125 VanDerWaalsContact C-N 3.31Å; I123-K125 PolarHBondContact O-N 3.3Å; I123-I126 HydrophobicContact CD1-CD1 4.37Å; I123-I126 WeakPolarHBondContact O-CB 3.18Å; I123-I126 PolarHBondContact O-N 3.09Å; I123-I127 HydrophobicContact CG2-CD1 3.94Å; I123-I127 HydrophobicContact CG2-CG1 4.49Å; I123-I127 WeakPolarHBondContact O-CG1 3.24Å; I123-I127 PolarHBondContact O-N 2.75Å; I123-F224 HydrophobicContact CB-CZ 4.08Å; I123-F224 HydrophobicContact CG2-CE1 4.31Å; I123-F224 HydrophobicContact CG2-CE2 4.12Å; I123-F224 HydrophobicContact CG2-CZ 3.68Å
124	E	98.8	Very high	97.7	Very high	46 Å²	46	47.1 Å²	47.1	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-44.2	172.9	-168.2	168.4	-166.5	0	0	111.6	I120 D121 I122 I126 I127 D128 R223 F224 K227	I120-E124 WeakPolarHBondContact O-CB 3.36Å; I120-E124 PolarHBondContact O-N 3.31Å; D121-E124 PolarHBondContact O-N 2.81Å; I122-E124 VanDerWaalsContact C-N 3.33Å; E124-I126 VanDerWaalsContact C-N 3.32Å; E124-I126 PolarHBondContact O-N 3.22Å; E124-I127 PolarHBondContact O-N 2.74Å; E124-D128 WeakPolarHBondContact O-CB 3.49Å; E124-D128 PolarHBondContact O-N 3.02Å; E124-R223 WeakPolarHBondContact OE2-CD 3.03Å; E124-R223 IonicContact OE2-CZ 3.37Å; E124-R223 IonicContact OE2-NH1 3.39Å; E124-R223 PolarHBondContact OE2-NH1 2.82Å; E124-F224 HydrophobicContact CB-CE1 3.89Å; E124-F224 HydrophobicContact CG-CE1 4.38Å; E124-K227 WeakPolarHBondContact OE1-CE 3.14Å; E124-K227 IonicContact OE1-NZ 3.61Å; E124-K227 PolarHBondContact OE1-NZ 3.05Å
125	K	98.7	Very high	97.7	Very high	102 Å²	102	42.8 Å²	42.8	44%	0.443	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-39.9	177.4	-176.4	59.2	175.5	173.1	0	112.3	L83 D121 I122 I123 D128 N129	L83-K125 HydrophobicContact CD2-CB 4.07Å; L83-K125 HydrophobicContact CD2-CG 3.82Å; D121-K125 WeakPolarHBondContact O-CB 3.25Å; D121-K125 PolarHBondContact O-N 3.2Å; I122-K125 WeakPolarHBondContact O-CB 3.47Å; I122-K125 PolarHBondContact O-N 2.8Å; I123-K125 VanDerWaalsContact C-N 3.31Å; I123-K125 PolarHBondContact O-N 3.3Å; K125-D128 PolarHBondContact O-N 2.95Å; K125-N129 WeakPolarHBondContact O-CB 3.41Å; K125-N129 PolarHBondContact O-N 3.23Å; K125-N129 PolarHBondContact O-ND2 3.14Å; K125-N129 PolarHBondContact O-OD1 3.47Å
126	I	98.4	Very high	97.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-47.7	174.3	-71	172.2	0	0	0	110.6	Y78 L82 L83 F88 L101 I122 I123 E124 D128 N129 A130	Y78-I126 HydrophobicContact CD2-CD1 4.21Å; Y78-I126 HydrophobicContact CG-CD1 4.38Å; L82-I126 HydrophobicContact CB-CB 4.47Å; L82-I126 HydrophobicContact CB-CD1 3.98Å; L82-I126 HydrophobicContact CB-CG1 3.83Å; L82-I126 HydrophobicContact CB-CG2 3.95Å; L82-I126 HydrophobicContact CD1-CG2 4.08Å; L83-I126 HydrophobicContact CD2-CG1 4.09Å; F88-I126 HydrophobicContact CZ-CG2 4.09Å; F88-I126 WeakPolarHBondContact CZ-O 3.19Å; L101-I126 HydrophobicContact CD1-CG2 4.23Å; L101-I126 HydrophobicContact CD2-CG2 3.86Å; I122-I126 HydrophobicContact CG2-CD1 4.35Å; I122-I126 WeakPolarHBondContact O-CG1 3.25Å; I122-I126 PolarHBondContact O-N 3Å; I123-I126 HydrophobicContact CD1-CD1 4.37Å; I123-I126 WeakPolarHBondContact O-CB 3.18Å; I123-I126 PolarHBondContact O-N 3.09Å; E124-I126 VanDerWaalsContact C-N 3.32Å; E124-I126 PolarHBondContact O-N 3.22Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 3.49Å; I126-N129 PolarHBondContact O-N 3.12Å; I126-A130 PolarHBondContact O-N 3.39Å
127	I	98.6	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-43.1	177.9	-66.7	166	0	0	0	110.8	L101 I123 E124 A130 G131 I137 I139 F224 K227 N229 V230	L101-I127 HydrophobicContact CD2-CG1 4.38Å; I123-I127 HydrophobicContact CG2-CD1 3.94Å; I123-I127 HydrophobicContact CG2-CG1 4.49Å; I123-I127 WeakPolarHBondContact O-CG1 3.24Å; I123-I127 PolarHBondContact O-N 2.75Å; E124-I127 PolarHBondContact O-N 2.74Å; I127-A130 WeakPolarHBondContact O-CB 3.18Å; I127-A130 PolarHBondContact O-N 3.26Å; I127-G131 PolarHBondContact O-N 3.48Å; I127-I137 HydrophobicContact CB-CG1 4.48Å; I127-I137 HydrophobicContact CG1-CB 4.48Å; I127-I137 HydrophobicContact CG1-CG1 4.12Å; I127-I137 HydrophobicContact CG1-CG2 4.24Å; I127-I137 HydrophobicContact CG2-CG1 4.41Å; I127-I139 HydrophobicContact CD1-CD1 4.08Å; I127-F224 HydrophobicContact CD1-CB 4.44Å; I127-F224 HydrophobicContact CD1-CD1 3.62Å; I127-F224 HydrophobicContact CD1-CD2 4.3Å; I127-F224 HydrophobicContact CD1-CE1 3.85Å; I127-F224 HydrophobicContact CD1-CE2 4.49Å; I127-F224 HydrophobicContact CD1-CG 3.87Å; I127-F224 HydrophobicContact CD1-CZ 4.29Å; I127-K227 HydrophobicContact CG2-CB 4.26Å; I127-K227 HydrophobicContact CG2-CD 4.45Å; I127-K227 HydrophobicContact CG2-CG 4.25Å; I127-N229 PolarHBondContact O-ND2 3.23Å; I127-V230 HydrophobicContact CD1-CG2 4.37Å; I127-V230 HydrophobicContact CG2-CG2 3.88Å
128	D	98.6	Very high	97.7	Very high	63 Å²	63	35.4 Å²	35.4	34%	0.337	18%	0.179	S	C	.	.	H	α-helix	trans	-66.1	-43.6	178.7	-74.9	-18.6	0	0	0	111.8	E124 K125 I126 A130 G131 L132 K227	E124-D128 WeakPolarHBondContact O-CB 3.49Å; E124-D128 PolarHBondContact O-N 3.02Å; K125-D128 PolarHBondContact O-N 2.95Å; I126-D128 VanDerWaalsContact C-N 3.34Å; I126-D128 PolarHBondContact O-N 3.49Å; D128-A130 VanDerWaalsContact C-N 3.3Å; D128-A130 PolarHBondContact O-N 3.38Å; D128-G131 PolarHBondContact O-N 3.41Å; D128-L132 WeakPolarHBondContact O-CG 3.24Å; D128-L132 PolarHBondContact O-N 2.89Å; D128-L132 VanDerWaalsContact O-N 3.09Å; D128-K227 WeakPolarHBondContact OD1-CD 3.48Å; D128-K227 WeakPolarHBondContact OD1-CE 3.22Å; D128-K227 IonicContact OD1-NZ 3.64Å; D128-K227 PolarHBondContact OD1-NZ 3.37Å; D128-K227 IonicContact OD2-NZ 3.84Å; D128-K227 PolarHBondContact OD2-NZ 2.98Å
129	N	98.1	Very high	97.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-40.8	174.9	-73.9	-11.1	0	0	0	111.4	L82 L83 F88 K125 I126 L132 Y133	L82-N129 PolarHBondContact O-ND2 2.89Å; L82-N129 VanDerWaalsContact O-ND2 3.15Å; L83-N129 PolarHBondContact O-ND2 3.19Å; F88-N129 HydrophobicContact CD2-CB 3.61Å; F88-N129 HydrophobicContact CE2-CB 3.42Å; F88-N129 VanDerWaalsContact CE2-CB 3.42Å; F88-N129 HydrophobicContact CZ-CB 4.42Å; K125-N129 WeakPolarHBondContact O-CB 3.41Å; K125-N129 PolarHBondContact O-N 3.23Å; K125-N129 PolarHBondContact O-ND2 3.14Å; K125-N129 PolarHBondContact O-OD1 3.47Å; I126-N129 PolarHBondContact O-N 3.12Å; N129-L132 PolarHBondContact O-N 3.26Å; N129-Y133 WeakPolarHBondContact O-CD2 3.32Å
130	A	97.6	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-45.2	174.2	0	0	0	0	0	111.8	F88 I126 I127 D128 L132 Y133 G134 V135 I137	F88-A130 VanDerWaalsContact CD1-CA 3.47Å; F88-A130 HydrophobicContact CD1-CB 3.7Å; F88-A130 HydrophobicContact CE1-CB 3.33Å; F88-A130 HydrophobicContact CE2-CB 4.46Å; F88-A130 HydrophobicContact CG-CB 4.38Å; F88-A130 HydrophobicContact CZ-CB 3.76Å; I126-A130 PolarHBondContact O-N 3.39Å; I127-A130 WeakPolarHBondContact O-CB 3.18Å; I127-A130 PolarHBondContact O-N 3.26Å; D128-A130 VanDerWaalsContact C-N 3.3Å; D128-A130 PolarHBondContact O-N 3.38Å; A130-L132 VanDerWaalsContact C-N 3.29Å; A130-L132 PolarHBondContact O-N 3.42Å; A130-Y133 PolarHBondContact O-N 3.16Å; A130-Y133 VanDerWaalsContact O-N 3.08Å; A130-G134 PolarHBondContact O-N 3.05Å; A130-V135 CarbonylContact C-O 3.57Å; A130-V135 HydrophobicContact CB-CB 4.07Å; A130-V135 HydrophobicContact CB-CG1 4.31Å; A130-V135 WeakPolarHBondContact CB-O 3.19Å; A130-V135 PolarHBondContact O-N 3.1Å; A130-I137 HydrophobicContact CB-CD1 3.75Å; A130-I137 HydrophobicContact CB-CG1 4.04Å
131	G	96.6	Very high	97.7	Very high	8 Å²	8	28 Å²	28	8%	0.082	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-36.1	178.9	0	0	0	0	0	113.1	I127 D128 Y133 G134 Y228 N229	I127-G131 PolarHBondContact O-N 3.48Å; D128-G131 PolarHBondContact O-N 3.41Å; G131-Y133 PolarHBondContact O-N 3.31Å; G131-G134 PolarHBondContact O-N 3.02Å; G131-G134 VanDerWaalsContact O-N 3.11Å; G131-Y228 PolarHBondContact O-OH 3.2Å; G131-N229 WeakPolarHBondContact CA-ND2 3.29Å; G131-N229 PolarHBondContact N-ND2 3.35Å; G131-N229 VanDerWaalsContact N-ND2 3.19Å
132	L	95.7	Very high	97.5	Very high	126 Å²	126	24.8 Å²	24.8	66%	0.66	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.9	176.9	-68.6	174.8	0	0	0	113.5	D128 N129 A130	D128-L132 WeakPolarHBondContact O-CG 3.24Å; D128-L132 PolarHBondContact O-N 2.89Å; D128-L132 VanDerWaalsContact O-N 3.09Å; N129-L132 PolarHBondContact O-N 3.26Å; A130-L132 VanDerWaalsContact C-N 3.29Å; A130-L132 PolarHBondContact O-N 3.42Å
133	Y	94.3	Very high	97.3	Very high	61 Å²	61	23.5 Å²	23.5	24%	0.239	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	9.1	-177.9	-64.5	-84.5	0	0	0	113.5	P85 F88 K89 N129 A130 G131 V135	P85-Y133 HydrophobicContact CB-CE2 3.91Å; P85-Y133 WeakPolarHBondContact O-CE2 3.31Å; F88-Y133 HydrophobicContact CB-CD2 3.49Å; F88-Y133 VanDerWaalsContact CB-CD2 3.49Å; F88-Y133 HydrophobicContact CB-CE2 4.21Å; F88-Y133 HydrophobicContact CB-CG 3.97Å; K89-Y133 HydrophobicContact CB-CD1 3.88Å; K89-Y133 HydrophobicContact CB-CE1 3.42Å; K89-Y133 VanDerWaalsContact CB-CE1 3.42Å; K89-Y133 HydrophobicContact CG-CD1 4.28Å; K89-Y133 HydrophobicContact CG-CE1 3.81Å; N129-Y133 WeakPolarHBondContact O-CD2 3.32Å; A130-Y133 PolarHBondContact O-N 3.16Å; A130-Y133 VanDerWaalsContact O-N 3.08Å; G131-Y133 PolarHBondContact O-N 3.31Å; Y133-V135 VanDerWaalsContact C-N 3.29Å
134	G	93.2	Very high	96.9	Very high	30 Å²	30	24.4 Å²	24.4	31%	0.309	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	20.5	-179.4	0	0	0	0	0	114	A130 G131	A130-G134 PolarHBondContact O-N 3.05Å; G131-G134 PolarHBondContact O-N 3.02Å; G131-G134 VanDerWaalsContact O-N 3.11Å
135	V	96.4	Very high	96.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.116	C	C	.	.			trans	-88.6	123.7	176.2	-179.7	0	0	0	0	109.1	F88 I99 A130 Y133 N229	F88-V135 HydrophobicContact CD1-CB 4.29Å; F88-V135 HydrophobicContact CD1-CG1 4.33Å; F88-V135 HydrophobicContact CD1-CG2 4.37Å; I99-V135 HydrophobicContact CD1-CG1 4.17Å; I99-V135 HydrophobicContact CG1-CG1 3.88Å; A130-V135 CarbonylContact C-O 3.57Å; A130-V135 HydrophobicContact CB-CB 4.07Å; A130-V135 HydrophobicContact CB-CG1 4.31Å; A130-V135 WeakPolarHBondContact CB-O 3.19Å; A130-V135 PolarHBondContact O-N 3.1Å; Y133-V135 VanDerWaalsContact C-N 3.29Å; V135-N229 PolarHBondContact O-ND2 3.37Å
136	Y	98.4	Very high	96.3	Very high	27 Å²	27	17.4 Å²	17.4	11%	0.106	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	156.7	176.2	-75.3	-94.4	0	0	0	111.8	V46 F65 N97 V98 I99 N229 L231	V46-Y136 HydrophobicContact CG2-CE1 3.93Å; F65-Y136 HydrophobicContact CD1-CD2 4.32Å; F65-Y136 AromaticContact CE1-CD2 3.62Å; F65-Y136 HydrophobicContact CE1-CD2 3.62Å; F65-Y136 AromaticContact CE1-CE2 3.94Å; F65-Y136 HydrophobicContact CE1-CE2 3.94Å; F65-Y136 AromaticContact CE1-CG 3.98Å; F65-Y136 HydrophobicContact CE1-CG 3.98Å; N97-Y136 PolarHBondContact O-N 2.76Å; V98-Y136 CarbonylContact C-O 3.47Å; V98-Y136 VanDerWaalsContact CA-O 3.25Å; V98-Y136 WeakPolarHBondContact CA-O 3.4Å; I99-Y136 PolarHBondContact N-O 3.49Å; Y136-N229 CarbonylContact C-O 3.5Å; Y136-N229 WeakPolarHBondContact CA-O 3.46Å; Y136-N229 WeakPolarHBondContact CD1-O 3.48Å; Y136-L231 HydrophobicContact CD1-CB 3.98Å; Y136-L231 HydrophobicContact CD1-CD1 4.36Å; Y136-L231 HydrophobicContact CG-CB 4.39Å
137	I	98.7	Very high	96.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.7	177.6	-58.5	-62.8	0	0	0	109.6	I99 L101 I127 A130 I139 N229 V230 L231	I99-I137 HydrophobicContact CB-CD1 3.96Å; I99-I137 CarbonylContact O-C 3.33Å; I99-I137 WeakPolarHBondContact O-CA 3.47Å; L101-I137 HydrophobicContact CB-CG2 3.84Å; L101-I137 HydrophobicContact CD2-CG2 4.06Å; I127-I137 HydrophobicContact CB-CG1 4.48Å; I127-I137 HydrophobicContact CG1-CB 4.48Å; I127-I137 HydrophobicContact CG1-CG1 4.12Å; I127-I137 HydrophobicContact CG1-CG2 4.24Å; I127-I137 HydrophobicContact CG2-CG1 4.41Å; A130-I137 HydrophobicContact CB-CD1 3.75Å; A130-I137 HydrophobicContact CB-CG1 4.04Å; I137-I139 HydrophobicContact CG2-CG1 3.87Å; I137-N229 PolarHBondContact N-O 3.4Å; I137-V230 CarbonylContact O-C 3.47Å; I137-V230 WeakPolarHBondContact O-CA 3.37Å; I137-L231 PolarHBondContact O-N 2.86Å
138	I	98.9	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.9	159.6	-59.4	165.4	0	0	0	105.6	V98 I99 R100 L101 L231 G232 D234 F281 F370	V98-I138 HydrophobicContact CG2-CD1 3.99Å; V98-I138 HydrophobicContact CG2-CG1 3.99Å; I99-I138 PolarHBondContact O-N 2.87Å; R100-I138 CarbonylContact C-O 3.59Å; R100-I138 WeakPolarHBondContact CA-O 3.37Å; R100-I138 HydrophobicContact CB-CB 4.39Å; R100-I138 HydrophobicContact CG-CB 4.42Å; R100-I138 HydrophobicContact CG-CG2 4.34Å; L101-I138 PolarHBondContact N-O 3.11Å; I138-L231 HydrophobicContact CD1-CD2 4.23Å; I138-L231 HydrophobicContact CG1-CB 4.31Å; I138-L231 HydrophobicContact CG1-CD2 3.99Å; I138-L231 HydrophobicContact CG1-CG 4.43Å; I138-G232 WeakPolarHBondContact CA-O 3.44Å; I138-D234 HydrophobicContact CG2-CB 4.02Å; I138-F281 HydrophobicContact CD1-CD1 4.34Å; I138-F281 HydrophobicContact CD1-CE1 3.63Å; I138-F281 HydrophobicContact CD1-CZ 3.76Å; I138-F281 HydrophobicContact CG1-CE1 4.26Å; I138-F281 HydrophobicContact CG1-CE2 4.32Å; I138-F281 HydrophobicContact CG1-CZ 3.99Å; I138-F281 HydrophobicContact CG2-CD1 4.39Å; I138-F281 HydrophobicContact CG2-CD2 4.41Å; I138-F281 HydrophobicContact CG2-CG 4.29Å; I138-F370 HydrophobicContact CD1-CD2 4.36Å; I138-F370 HydrophobicContact CD1-CE1 4.23Å; I138-F370 HydrophobicContact CD1-CE2 3.95Å; I138-F370 HydrophobicContact CD1-CZ 3.91Å
139	I	98.7	Very high	95.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.7	177.5	-58.4	-177.8	0	0	0	108	F103 I127 I137 T220 F224 V230 G232 Y233 D234	F103-I139 HydrophobicContact CB-CG2 3.58Å; F103-I139 HydrophobicContact CD1-CG2 4.02Å; F103-I139 HydrophobicContact CG-CG2 4.18Å; I127-I139 HydrophobicContact CD1-CD1 4.08Å; I137-I139 HydrophobicContact CG2-CG1 3.87Å; I139-T220 HydrophobicContact CD1-CG2 3.97Å; I139-T220 HydrophobicContact CG2-CG2 4Å; I139-F224 HydrophobicContact CD1-CB 3.99Å; I139-F224 HydrophobicContact CD1-CD2 3.54Å; I139-F224 HydrophobicContact CD1-CE2 4.29Å; I139-F224 HydrophobicContact CD1-CG 3.99Å; I139-V230 HydrophobicContact CD1-CG1 4.1Å; I139-V230 HydrophobicContact CD1-CG2 4.39Å; I139-V230 HydrophobicContact CG1-CG1 4.28Å; I139-G232 PolarHBondContact N-O 3.03Å; I139-Y233 HydrophobicContact CB-CD1 4.23Å; I139-Y233 HydrophobicContact CD1-CD1 4.46Å; I139-Y233 HydrophobicContact CD1-CE1 4.14Å; I139-Y233 CarbonylContact O-C 3.58Å; I139-D234 PolarHBondContact O-N 3.17Å
140	D	98	Very high	95.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.7	-174.2	169.9	33.4	0	0	0	112	R100 L101 F103 H142 D234	R100-D140 HydrophobicContact CG-CB 3.91Å; R100-D140 IonicContact CZ-OD1 3.36Å; R100-D140 IonicContact CZ-OD2 3.5Å; R100-D140 IonicContact NE-OD2 3.8Å; R100-D140 IonicContact NH1-OD2 3.43Å; R100-D140 PolarHBondContact NH1-OD2 3.38Å; R100-D140 IonicContact NH2-OD1 2.65Å; R100-D140 PolarHBondContact NH2-OD1 3.13Å; R100-D140 IonicContact NH2-OD2 2.7Å; L101-D140 PolarHBondContact O-N 2.96Å; F103-D140 PolarHBondContact N-O 2.71Å; D140-H142 VanDerWaalsContact C-N 3.26Å; D140-H142 PolarHBondContact O-N 2.91Å; D140-H142 VanDerWaalsContact O-N 3.13Å; D140-H142 PolarHBondContact OD1-N 2.84Å; D140-H142 WeakPolarHBondContact OD2-CB 3.35Å; D140-H142 IonicContact OD2-CE1 3.96Å; D140-H142 IonicContact OD2-CG 3.59Å; D140-H142 VanDerWaalsContact OD2-CG 3.32Å; D140-H142 IonicContact OD2-ND1 3.83Å; D140-H142 PolarHBondContact OD2-ND1 3.09Å; D140-D234 HydrophobicContact CB-CB 4.13Å
141	L	97.4	Very high	94.6	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	12%	0.123	C	C	.	.			trans	-80.5	79.4	162.8	180	50.7	0	0	0	109.7	W105 F213 Y216 W217 D234 N237	W105-L141 HydrophobicContact CB-CD1 4.19Å; W105-L141 HydrophobicContact CE3-CD1 4Å; W105-L141 HydrophobicContact CE3-CD2 4.16Å; W105-L141 HydrophobicContact CZ3-CD2 4.26Å; L141-F213 HydrophobicContact CD2-CD1 3.76Å; L141-F213 HydrophobicContact CD2-CE1 3.74Å; L141-Y216 HydrophobicContact CB-CE1 4.13Å; L141-Y216 HydrophobicContact CD1-CD2 4.47Å; L141-Y216 HydrophobicContact CD1-CE1 4.17Å; L141-Y216 HydrophobicContact CD1-CE2 3.91Å; L141-Y216 HydrophobicContact CD2-CD1 4.22Å; L141-Y216 HydrophobicContact CD2-CE1 4.16Å; L141-Y216 HydrophobicContact CG-CE1 4.38Å; L141-W217 HydrophobicContact CB-CH2 4.49Å; L141-W217 HydrophobicContact CB-CZ2 3.85Å; L141-D234 PolarHBondContact N-O 2.95Å; L141-D234 VanDerWaalsContact N-O 3.15Å; L141-N237 PolarHBondContact O-N 3.05Å; L141-N237 VanDerWaalsContact O-N 3.07Å
142	H	95.4	Very high	94	Very high	14 Å²	14	23.8 Å²	23.8	7%	0.065	12%	0.122	C	C	.	.			trans	-72.7	142.6	-175.3	-153.6	80	0	0	0	113.5	V71 K73 D140 D144 D154 A155 N237 E373 W408	V71-H142 HydrophobicContact CG1-CB 3.81Å; V71-H142 HydrophobicContact CG2-CB 4.3Å; K73-H142 WeakPolarHBondContact CE-NE2 3.46Å; K73-H142 PolarHBondContact NZ-NE2 3.36Å; D140-H142 VanDerWaalsContact C-N 3.26Å; D140-H142 PolarHBondContact O-N 2.91Å; D140-H142 VanDerWaalsContact O-N 3.13Å; D140-H142 PolarHBondContact OD1-N 2.84Å; D140-H142 WeakPolarHBondContact OD2-CB 3.35Å; D140-H142 IonicContact OD2-CE1 3.96Å; D140-H142 IonicContact OD2-CG 3.59Å; D140-H142 VanDerWaalsContact OD2-CG 3.32Å; D140-H142 IonicContact OD2-ND1 3.83Å; D140-H142 PolarHBondContact OD2-ND1 3.09Å; H142-D144 IonicContact NE2-OD1 3.69Å; H142-D154 IonicContact CD2-OD2 3.26Å; H142-D154 PolarHBondContact CD2-OD2 2.95Å; H142-D154 VanDerWaalsContact CD2-OD2 3.24Å; H142-D154 IonicContact NE2-OD2 3.24Å; H142-A155 WeakPolarHBondContact O-CB 3.48Å; H142-N237 PolarHBondContact CE1-ND2 2.96Å; H142-N237 VanDerWaalsContact CE1-ND2 3.31Å; H142-N237 PolarHBondContact CE1-OD1 3.22Å; H142-N237 PolarHBondContact ND1-OD1 3.03Å; H142-E373 IonicContact CE1-OE1 3.36Å; H142-W408 AromaticContact CE1-CH2 3.49Å; H142-W408 VanDerWaalsContact CE1-CH2 3.49Å; H142-W408 WeakPolarHBondContact CE1-CH2 3.43Å; H142-W408 AromaticContact CE1-CZ3 3.36Å; H142-W408 WeakPolarHBondContact CE1-CZ3 3.43Å; H142-W408 AromaticContact NE2-CH2 3.37Å; H142-W408 WeakPolarHBondContact NE2-CH2 3.49Å; H142-W408 AromaticContact NE2-CZ3 3.78Å
143	Q	93.7	Very high	93	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.019	12%	0.115	C	C	.	.			trans	-155.6	138.5	173.6	72.5	81	29.9	0	0	112.8	A155 Y190 I236 N237 E238	Q143-A155 HydrophobicContact CB-CB 3.13Å; Q143-Y190 PolarHBondContact NE2-OH 3.35Å; Q143-Y190 PolarHBondContact OE1-OH 2.95Å; Q143-I236 HydrophobicContact CG-CD1 4.37Å; Q143-I236 HydrophobicContact CG-CG1 4Å; Q143-N237 WeakPolarHBondContact CG-O 3.5Å; Q143-N237 PolarHBondContact NE2-O 3.11Å; Q143-N237 PolarHBondContact O-ND2 3.06Å; Q143-E238 PolarHBondContact NE2-O 2.86Å; Q143-E238 VanDerWaalsContact NE2-O 3.1Å
144	D	91.2	Very high	91.8	Very high	21 Å²	21	19.9 Å²	19.9	11%	0.112	11%	0.106	C	C	.	.	S	Bend	trans	-125	75.8	169.7	-81.2	-8.4	0	0	0	111.4	K73 H142 A152 D154 W186 Y190	K73-D144 VanDerWaalsContact NZ-CG 3.27Å; K73-D144 IonicContact NZ-OD1 3.76Å; K73-D144 IonicContact NZ-OD2 2.53Å; K73-D144 PolarHBondContact NZ-OD2 3.02Å; H142-D144 IonicContact NE2-OD1 3.69Å; D144-A152 WeakPolarHBondContact O-CB 3.28Å; D144-D154 WeakPolarHBondContact CA-OD1 3.32Å; D144-D154 WeakPolarHBondContact CB-OD1 3.18Å; D144-D154 PolarHBondContact N-OD1 3.03Å; D144-W186 HydrophobicContact CB-CE3 3.94Å; D144-W186 HydrophobicContact CB-CH2 4.04Å; D144-W186 HydrophobicContact CB-CZ3 3.5Å; D144-Y190 WeakPolarHBondContact CA-OH 3.35Å
145	G	91.5	Very high	90.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	95.3	22	-177.9	0	0	0	0	0	113.5	S147 Y190	G145-S147 PolarHBondContact O-N 3.06Å; G145-Y190 VanDerWaalsContact N-CZ 3.32Å; G145-Y190 PolarHBondContact N-OH 3.43Å
146	L	93.3	Very high	90.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.094	C	C	.	.	S	Bend	trans	68	-44	169.6	-169.5	68.4	0	0	0	117.4	L150 A155 V156 M161 A198 F199 I202	L146-L150 HydrophobicContact CB-CD1 4.33Å; L146-L150 HydrophobicContact CD2-CD1 4.48Å; L146-A155 CarbonylContact O-C 3.56Å; L146-A155 WeakPolarHBondContact O-CB 3.45Å; L146-V156 HydrophobicContact CD1-CG1 3.78Å; L146-V156 HydrophobicContact CD1-CG2 4.18Å; L146-V156 HydrophobicContact CG-CG2 4.06Å; L146-V156 WeakPolarHBondContact O-CG2 3.48Å; L146-V156 PolarHBondContact O-N 2.84Å; L146-M161 HydrophobicContact CD2-CE 4.36Å; L146-M161 HydrophobicContact CD2-SD 3.92Å; L146-M161 HydrophobicContact CG-SD 4.23Å; L146-A198 HydrophobicContact CD2-CB 3.61Å; L146-F199 HydrophobicContact CB-CE1 4.43Å; L146-F199 HydrophobicContact CB-CE2 3.81Å; L146-F199 HydrophobicContact CB-CZ 3.64Å; L146-F199 HydrophobicContact CD1-CE1 4.09Å; L146-F199 HydrophobicContact CD1-CZ 4.14Å; L146-F199 HydrophobicContact CD2-CE2 4.3Å; L146-F199 HydrophobicContact CD2-CZ 4.38Å; L146-F199 HydrophobicContact CG-CZ 4.28Å; L146-I202 HydrophobicContact CD1-CD1 3.84Å; L146-I202 HydrophobicContact CD2-CD1 3.9Å
147	S	93.3	Very high	90.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	9%	0.091	C	C	.	.			trans	-161	151.7	-171.1	178.7	0	0	0	0	114.4	G145 R149 L150 A152 M161	G145-S147 PolarHBondContact O-N 3.06Å; S147-R149 PolarHBondContact O-N 2.74Å; S147-R149 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact OG-N 2.99Å; S147-L150 CarbonylContact O-C 3.47Å; S147-L150 WeakPolarHBondContact O-CA 3.37Å; S147-L150 WeakPolarHBondContact O-CB 3.48Å; S147-L150 PolarHBondContact O-N 2.77Å; S147-A152 VanDerWaalsContact O-CB 3.3Å; S147-A152 WeakPolarHBondContact O-CB 3.47Å; S147-A152 PolarHBondContact O-N 2.6Å; S147-A152 VanDerWaalsContact O-N 3.13Å; S147-M161 VanDerWaalsContact OG-CG 3.28Å; S147-M161 WeakPolarHBondContact OG-CG 3.36Å
148	K	90.7	Very high	90.3	Very high	115 Å²	115	21.9 Å²	21.9	50%	0.5	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-51.6	-30.6	168.8	-67	-179.4	-177.9	178.2	0	114.3	L150 G151 A152	K148-L150 PolarHBondContact O-N 2.97Å; K148-G151 PolarHBondContact O-N 3.05Å; K148-A152 WeakPolarHBondContact CA-O 3.16Å; K148-A152 WeakPolarHBondContact CG-O 3.5Å; K148-A152 PolarHBondContact N-O 2.64Å
149	R	91.1	Very high	90.2	Very high	63 Å²	63	23.1 Å²	23.1	24%	0.238	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-61.2	-23.7	173.8	-171.5	172.8	-58.9	-178.4	-0.5	113.2	S147 D158 M161 D162	S147-R149 PolarHBondContact O-N 2.74Å; S147-R149 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact OG-N 2.99Å; R149-D158 PolarHBondContact NH2-O 3.34Å; R149-M161 PolarHBondContact NH1-O 3.26Å; R149-D162 IonicContact CZ-OD1 3.18Å; R149-D162 IonicContact NH1-OD1 2.82Å; R149-D162 PolarHBondContact NH1-OD1 3.3Å; R149-D162 IonicContact NH2-OD1 2.66Å; R149-D162 PolarHBondContact NH2-OD1 3.45Å; R149-D162 IonicContact NH2-OD2 3.97Å
150	L	93.3	Very high	90	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-108.4	20.3	179.1	-55.3	175.2	0	0	0	111.4	L146 S147 K148 A152 M161 Y173 T189 E194 A198	L146-L150 HydrophobicContact CB-CD1 4.33Å; L146-L150 HydrophobicContact CD2-CD1 4.48Å; S147-L150 CarbonylContact O-C 3.47Å; S147-L150 WeakPolarHBondContact O-CA 3.37Å; S147-L150 WeakPolarHBondContact O-CB 3.48Å; S147-L150 PolarHBondContact O-N 2.77Å; K148-L150 PolarHBondContact O-N 2.97Å; L150-A152 PolarHBondContact O-N 2.78Å; L150-M161 HydrophobicContact CD1-CE 4.03Å; L150-M161 HydrophobicContact CG-CE 4.28Å; L150-Y173 VanDerWaalsContact C-CE2 3.49Å; L150-Y173 HydrophobicContact CB-CD2 4.22Å; L150-Y173 HydrophobicContact CB-CE2 4.31Å; L150-Y173 HydrophobicContact CD2-CD2 4.09Å; L150-Y173 HydrophobicContact CD2-CG 4.32Å; L150-Y173 WeakPolarHBondContact O-CE2 3.49Å; L150-Y173 PolarHBondContact O-OH 2.93Å; L150-T189 HydrophobicContact CB-CG2 4.02Å; L150-T189 WeakPolarHBondContact O-CG2 3.19Å; L150-T189 PolarHBondContact O-OG1 3.15Å; L150-E194 HydrophobicContact CD2-CB 3.89Å; L150-E194 HydrophobicContact CD2-CG 3.75Å; L150-A198 HydrophobicContact CD1-CB 4.39Å
151	G	87.9	Confident	89.9	Confident	19 Å²	19	23.4 Å²	23.4	20%	0.196	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	3.4	-178.8	0	0	0	0	0	115	K148 S182	K148-G151 PolarHBondContact O-N 3.05Å; G151-S182 WeakPolarHBondContact O-CB 3.34Å
152	A	83.7	Confident	89.8	Confident	8 Å²	8	28 Å²	28	7%	0.066	14%	0.143	C	C	.	.			trans	-71.7	149.6	173.2	0	0	0	0	0	111.3	D144 S147 K148 L150	D144-A152 WeakPolarHBondContact O-CB 3.28Å; S147-A152 VanDerWaalsContact O-CB 3.3Å; S147-A152 WeakPolarHBondContact O-CB 3.47Å; S147-A152 PolarHBondContact O-N 2.6Å; S147-A152 VanDerWaalsContact O-N 3.13Å; K148-A152 WeakPolarHBondContact CA-O 3.16Å; K148-A152 WeakPolarHBondContact CG-O 3.5Å; K148-A152 PolarHBondContact N-O 2.64Å; L150-A152 PolarHBondContact O-N 2.78Å
153	I	74.5	Confident	89.9	Confident	97 Å²	97	30.2 Å²	30.2	50%	0.497	15%	0.152	S	C	.	.	S	Bend	trans	-88.8	-26	177.5	52.9	172.6	0	0	0	112.6	K73	K73-I153 HydrophobicContact CB-CD1 3.92Å; K73-I153 HydrophobicContact CB-CG1 4.24Å; K73-I153 HydrophobicContact CD-CD1 3.76Å; K73-I153 HydrophobicContact CD-CG1 4.17Å; K73-I153 HydrophobicContact CG-CD1 4.43Å
154	D	69.4	Low	90	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.048	15%	0.153	C	C	.	.	S	Bend	trans	-122.5	172.9	-175	58.2	3.7	0	0	0	112.3	K73 H142 D144	K73-D154 HydrophobicContact CB-CB 4.02Å; K73-D154 HydrophobicContact CD-CB 4.26Å; K73-D154 WeakPolarHBondContact CD-OD2 3.22Å; K73-D154 WeakPolarHBondContact CE-OD2 3.32Å; K73-D154 HydrophobicContact CG-CB 3.94Å; K73-D154 WeakPolarHBondContact CG-OD2 3.42Å; K73-D154 IonicContact NZ-OD2 3.89Å; K73-D154 PolarHBondContact NZ-OD2 3.03Å; H142-D154 IonicContact CD2-OD2 3.26Å; H142-D154 PolarHBondContact CD2-OD2 2.95Å; H142-D154 VanDerWaalsContact CD2-OD2 3.24Å; H142-D154 IonicContact NE2-OD2 3.24Å; D144-D154 WeakPolarHBondContact CA-OD1 3.32Å; D144-D154 WeakPolarHBondContact CB-OD1 3.18Å; D144-D154 PolarHBondContact N-OD1 3.03Å
155	A	71.9	Confident	90.3	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	19%	0.185	C	C	.	.	S	Bend	trans	71.2	-174.7	-177.5	0	0	0	0	0	117	I106 H142 Q143 L146	I106-A155 WeakPolarHBondContact CD1-O 3.28Å; I106-A155 WeakPolarHBondContact CG1-O 3.45Å; H142-A155 WeakPolarHBondContact O-CB 3.48Å; Q143-A155 HydrophobicContact CB-CB 3.13Å; L146-A155 CarbonylContact O-C 3.56Å; L146-A155 WeakPolarHBondContact O-CB 3.45Å
156	V	94.7	Very high	90.5	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	20%	0.203	C	C	.	.	S	Bend	trans	-36.9	144.3	-143.9	-49	0	0	0	0	116.4	W105 L146 F160 M161	W105-V156 HydrophobicContact CD2-CG1 4.36Å; W105-V156 HydrophobicContact CE3-CB 4.23Å; W105-V156 HydrophobicContact CE3-CG1 3.53Å; W105-V156 HydrophobicContact CZ3-CG1 3.65Å; L146-V156 HydrophobicContact CD1-CG1 3.78Å; L146-V156 HydrophobicContact CD1-CG2 4.18Å; L146-V156 HydrophobicContact CG-CG2 4.06Å; L146-V156 WeakPolarHBondContact O-CG2 3.48Å; L146-V156 PolarHBondContact O-N 2.84Å; V156-F160 HydrophobicContact CB-CB 4.27Å; V156-F160 HydrophobicContact CB-CD1 3.66Å; V156-F160 HydrophobicContact CB-CE1 4.22Å; V156-F160 HydrophobicContact CB-CG 4.08Å; V156-F160 HydrophobicContact CG1-CD1 4.06Å; V156-F160 HydrophobicContact CG1-CE1 4.13Å; V156-F160 HydrophobicContact CG2-CB 4.35Å; V156-F160 HydrophobicContact CG2-CD1 3.31Å; V156-F160 HydrophobicContact CG2-CE1 3.89Å; V156-F160 HydrophobicContact CG2-CG 4.13Å; V156-M161 HydrophobicContact CG2-CG 3.9Å; V156-M161 HydrophobicContact CG2-SD 3.74Å
157	P	94.8	Very high	90.7	Very high	5 Å²	5	43 Å²	43	3%	0.032	21%	0.205	C	C	.	.			trans	-56.9	153	176.9	-21.9	30.5	0	0	0	114	W105 K109 W159 F160 M161	W105-P157 HydrophobicContact CG-CG 4.27Å; K109-P157 HydrophobicContact CB-CG 4.49Å; K109-P157 VanDerWaalsContact O-CG 3.25Å; K109-P157 WeakPolarHBondContact O-CG 3.48Å; P157-W159 HydrophobicContact CB-CD2 4.16Å; P157-W159 HydrophobicContact CB-CG 4.02Å; P157-W159 HydrophobicContact CB-CZ2 4.16Å; P157-W159 HydrophobicContact CG-CZ2 3.78Å; P157-W159 PolarHBondContact O-N 3.01Å; P157-F160 WeakPolarHBondContact O-CB 3.23Å; P157-F160 PolarHBondContact O-N 3.16Å; P157-M161 PolarHBondContact O-N 3.01Å
158	D	93.2	Very high	90.9	Very high	84 Å²	84	46.9 Å²	46.9	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-57.6	-36.4	178.2	-75.7	-42	0	0	0	113	R149 F160 M161 D162	R149-D158 PolarHBondContact NH2-O 3.34Å; D158-F160 PolarHBondContact O-N 3.03Å; D158-M161 WeakPolarHBondContact O-CB 3.48Å; D158-M161 PolarHBondContact O-N 3.11Å; D158-M161 VanDerWaalsContact O-N 3.09Å; D158-D162 PolarHBondContact O-N 3.08Å
159	W	95.7	Very high	91.2	Very high	27 Å²	27	50.6 Å²	50.6	10%	0.102	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-27.4	177.7	64.9	-105.4	0	0	0	112.5	K109 E112 P157 Y212	K109-W159 HydrophobicContact CB-CZ2 3.81Å; K109-W159 HydrophobicContact CD-CZ2 4.25Å; K109-W159 PolarHBondContact O-NE1 2.89Å; E112-W159 HydrophobicContact CB-CD2 3.74Å; E112-W159 HydrophobicContact CB-CE3 3.74Å; E112-W159 HydrophobicContact CB-CG 4.1Å; E112-W159 HydrophobicContact CB-CZ3 4.33Å; E112-W159 HydrophobicContact CG-CD2 4.41Å; E112-W159 HydrophobicContact CG-CE3 3.9Å; E112-W159 HydrophobicContact CG-CZ3 4.13Å; P157-W159 HydrophobicContact CB-CD2 4.16Å; P157-W159 HydrophobicContact CB-CG 4.02Å; P157-W159 HydrophobicContact CB-CZ2 4.16Å; P157-W159 HydrophobicContact CG-CZ2 3.78Å; P157-W159 PolarHBondContact O-N 3.01Å; W159-Y212 AromaticContact CH2-CD1 3.96Å; W159-Y212 HydrophobicContact CH2-CD1 3.96Å; W159-Y212 AromaticContact CZ3-CD1 3.5Å; W159-Y212 HydrophobicContact CZ3-CD1 3.5Å; W159-Y212 AromaticContact CZ3-CE1 3.86Å; W159-Y212 HydrophobicContact CZ3-CE1 3.86Å; W159-Y212 HydrophobicContact CZ3-CG 4.16Å
160	F	96.5	Very high	91.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73	-43.7	173.9	171.9	-85.4	0	0	0	109.9	W105 V156 P157 D158 D162 K163 I164 I202 L209 Y212 F213	W105-F160 HydrophobicContact CH2-CD2 4.02Å; W105-F160 AromaticContact CH2-CE2 3.9Å; W105-F160 HydrophobicContact CH2-CE2 3.9Å; W105-F160 HydrophobicContact CZ2-CD2 4.18Å; W105-F160 HydrophobicContact CZ2-CE2 4.47Å; V156-F160 HydrophobicContact CB-CB 4.27Å; V156-F160 HydrophobicContact CB-CD1 3.66Å; V156-F160 HydrophobicContact CB-CE1 4.22Å; V156-F160 HydrophobicContact CB-CG 4.08Å; V156-F160 HydrophobicContact CG1-CD1 4.06Å; V156-F160 HydrophobicContact CG1-CE1 4.13Å; V156-F160 HydrophobicContact CG2-CB 4.35Å; V156-F160 HydrophobicContact CG2-CD1 3.31Å; V156-F160 HydrophobicContact CG2-CE1 3.89Å; V156-F160 HydrophobicContact CG2-CG 4.13Å; P157-F160 WeakPolarHBondContact O-CB 3.23Å; P157-F160 PolarHBondContact O-N 3.16Å; D158-F160 PolarHBondContact O-N 3.03Å; F160-D162 PolarHBondContact O-N 2.89Å; F160-K163 VanDerWaalsContact O-CB 3.32Å; F160-K163 WeakPolarHBondContact O-CB 3.41Å; F160-K163 WeakPolarHBondContact O-CG 3.13Å; F160-K163 PolarHBondContact O-N 3.08Å; F160-I164 HydrophobicContact CE1-CD1 4.07Å; F160-I202 HydrophobicContact CE1-CD1 4.2Å; F160-I202 HydrophobicContact CE1-CG1 4.4Å; F160-I202 HydrophobicContact CZ-CD1 4.24Å; F160-I202 HydrophobicContact CZ-CG1 4.12Å; F160-L209 HydrophobicContact CD2-CD2 4.25Å; F160-L209 HydrophobicContact CE1-CD2 4.17Å; F160-L209 HydrophobicContact CE2-CD2 3.59Å; F160-L209 HydrophobicContact CZ-CB 4.48Å; F160-L209 HydrophobicContact CZ-CD2 3.55Å; F160-L209 HydrophobicContact CZ-CG 4.49Å; F160-Y212 HydrophobicContact CD2-CD2 4.27Å; F160-Y212 HydrophobicContact CD2-CG 4.16Å; F160-Y212 HydrophobicContact CE2-CD2 4.27Å; F160-Y212 HydrophobicContact CE2-CG 4.41Å; F160-F213 HydrophobicContact CE2-CD2 4.22Å; F160-F213 AromaticContact CE2-CE2 3.99Å; F160-F213 HydrophobicContact CE2-CE2 3.99Å; F160-F213 HydrophobicContact CZ-CD2 4.28Å; F160-F213 AromaticContact CZ-CE2 3.61Å; F160-F213 HydrophobicContact CZ-CE2 3.61Å; F160-F213 HydrophobicContact CZ-CZ 4.37Å
161	M	95.3	Very high	91.6	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-28.1	175.5	-68.5	-58.1	-69.5	0	0	112.6	L146 S147 R149 L150 V156 P157 D158 K163 I164 A198	L146-M161 HydrophobicContact CD2-CE 4.36Å; L146-M161 HydrophobicContact CD2-SD 3.92Å; L146-M161 HydrophobicContact CG-SD 4.23Å; S147-M161 VanDerWaalsContact OG-CG 3.28Å; S147-M161 WeakPolarHBondContact OG-CG 3.36Å; R149-M161 PolarHBondContact NH1-O 3.26Å; L150-M161 HydrophobicContact CD1-CE 4.03Å; L150-M161 HydrophobicContact CG-CE 4.28Å; V156-M161 HydrophobicContact CG2-CG 3.9Å; V156-M161 HydrophobicContact CG2-SD 3.74Å; P157-M161 PolarHBondContact O-N 3.01Å; D158-M161 WeakPolarHBondContact O-CB 3.48Å; D158-M161 PolarHBondContact O-N 3.11Å; D158-M161 VanDerWaalsContact O-N 3.09Å; M161-K163 PolarHBondContact O-N 3.01Å; M161-I164 HydrophobicContact CE-CD1 4.49Å; M161-I164 PolarHBondContact O-N 3.32Å; M161-I164 VanDerWaalsContact O-N 3.13Å; M161-I164 HydrophobicContact SD-CD1 4.12Å; M161-A198 HydrophobicContact CE-CB 4.16Å
162	D	95.7	Very high	92.1	Very high	104 Å²	104	58.6 Å²	58.6	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.6	174.7	-67.3	-25.6	0	0	0	113.9	R149 D158 F160 I164	R149-D162 IonicContact CZ-OD1 3.18Å; R149-D162 IonicContact NH1-OD1 2.82Å; R149-D162 PolarHBondContact NH1-OD1 3.3Å; R149-D162 IonicContact NH2-OD1 2.66Å; R149-D162 PolarHBondContact NH2-OD1 3.45Å; R149-D162 IonicContact NH2-OD2 3.97Å; D158-D162 PolarHBondContact O-N 3.08Å; F160-D162 PolarHBondContact O-N 2.89Å; D162-I164 VanDerWaalsContact C-N 3.27Å
163	K	96.7	Very high	92.7	Very high	59 Å²	59	59.9 Å²	59.9	26%	0.257	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.3	173.5	-48.9	-55.9	178.6	172.6	0	112.4	E112 F160 M161 L209 Y212	E112-K163 WeakPolarHBondContact OE1-CE 3.42Å; E112-K163 IonicContact OE1-NZ 2.85Å; E112-K163 PolarHBondContact OE1-NZ 3.38Å; E112-K163 WeakPolarHBondContact OE2-CE 3.34Å; E112-K163 IonicContact OE2-NZ 2.73Å; E112-K163 PolarHBondContact OE2-NZ 3.07Å; F160-K163 VanDerWaalsContact O-CB 3.32Å; F160-K163 WeakPolarHBondContact O-CB 3.41Å; F160-K163 WeakPolarHBondContact O-CG 3.13Å; F160-K163 PolarHBondContact O-N 3.08Å; M161-K163 PolarHBondContact O-N 3.01Å; K163-L209 HydrophobicContact CB-CD2 3.92Å; K163-Y212 WeakPolarHBondContact CE-OH 3.31Å; K163-Y212 HydrophobicContact CG-CE2 4.05Å
164	I	96.7	Very high	93.7	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.046	27%	0.269	C	S	.	.	S	Bend	trans	-92.5	113.5	177.5	-54.3	179.3	0	0	0	108.3	F160 M161 D162 R166 A198 L209	F160-I164 HydrophobicContact CE1-CD1 4.07Å; M161-I164 HydrophobicContact CE-CD1 4.49Å; M161-I164 PolarHBondContact O-N 3.32Å; M161-I164 VanDerWaalsContact O-N 3.13Å; M161-I164 HydrophobicContact SD-CD1 4.12Å; D162-I164 VanDerWaalsContact C-N 3.27Å; I164-R166 PolarHBondContact O-N 3.24Å; I164-R166 VanDerWaalsContact O-N 3.12Å; I164-A198 HydrophobicContact CD1-CB 4.09Å; I164-L209 HydrophobicContact CD1-CD1 4.32Å; I164-L209 HydrophobicContact CD1-CD2 4.47Å; I164-L209 HydrophobicContact CG1-CD1 3.86Å; I164-L209 HydrophobicContact CG1-CD2 3.9Å
165	K	96.5	Very high	95	Very high	177 Å²	177	60.6 Å²	60.6	77%	0.77	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-59	120.5	173.2	-179.3	180	178	-179.8	0	109.1	H197	K165-H197 PolarHBondContact O-NE2 3.25Å
166	R	96.2	Very high	96.2	Very high	104 Å²	104	63.1 Å²	63.1	39%	0.392	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-61.5	149.1	178.6	-61.9	-167.3	74.5	-170.2	-1.1	111.8	I164 Q172 E194	I164-R166 PolarHBondContact O-N 3.24Å; I164-R166 VanDerWaalsContact O-N 3.12Å; R166-Q172 VanDerWaalsContact CZ-CD 3.47Å; R166-Q172 VanDerWaalsContact NH2-OE1 3.15Å; R166-E194 IonicContact CZ-OE1 3.35Å; R166-E194 IonicContact CZ-OE2 3.82Å; R166-E194 IonicContact NE-OE1 2.75Å; R166-E194 PolarHBondContact NE-OE1 2.9Å; R166-E194 IonicContact NE-OE2 3.91Å; R166-E194 IonicContact NH2-OE1 3.09Å; R166-E194 PolarHBondContact NH2-OE1 3.39Å; R166-E194 VanDerWaalsContact NH2-OE1 3.09Å; R166-E194 IonicContact NH2-OE2 2.86Å; R166-E194 PolarHBondContact NH2-OE2 3.03Å
167	P	97.1	Very high	96.3	Very high	6 Å²	6	65.5 Å²	65.5	4%	0.039	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-67.9	167.7	172.5	32.3	-36.9	0	0	0	111.2	Y169 F171 Q172 Y193 E194	P167-Y169 PolarHBondContact O-N 2.83Å; P167-F171 HydrophobicContact CB-CB 4.39Å; P167-Q172 HydrophobicContact CG-CG 3.97Å; P167-Q172 PolarHBondContact O-NE2 3.41Å; P167-Y193 HydrophobicContact CB-CD1 3.91Å; P167-Y193 HydrophobicContact CB-CE1 3.61Å; P167-Y193 HydrophobicContact CG-CD1 4.16Å; P167-Y193 HydrophobicContact CG-CE1 4.33Å; P167-E194 HydrophobicContact CG-CB 4.08Å; P167-E194 HydrophobicContact CG-CG 3.83Å
168	P	97.3	Very high	96.2	Very high	82 Å²	82	75.2 Å²	75.2	53%	0.532	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-49.6	142.4	172	-25.7	34	0	0	0	111.4	L170 F171 Q172	P168-L170 PolarHBondContact O-N 2.73Å; P168-F171 HydrophobicContact CB-CD2 4.03Å; P168-F171 HydrophobicContact CG-CD2 4.13Å; P168-F171 PolarHBondContact O-N 2.72Å; P168-Q172 PolarHBondContact O-N 2.83Å
169	Y	97.2	Very high	96.2	Very high	193 Å²	193	79.5 Å²	79.5	76%	0.757	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-49	-37.7	-172	179.4	-104.7	0	0	0	114.3	P167 F171 Q172	P167-Y169 PolarHBondContact O-N 2.83Å; Y169-F171 PolarHBondContact O-N 2.88Å; Y169-Q172 PolarHBondContact O-N 2.98Å
170	L	96.5	Very high	96.1	Very high	138 Å²	138	81.5 Å²	81.5	72%	0.723	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63	-22.6	178.2	-72.1	161.1	0	0	0	114.6	P168 W175	P168-L170 PolarHBondContact O-N 2.73Å; L170-W175 VanDerWaalsContact O-CD1 3.27Å
171	F	97.2	Very high	95.9	Very high	74 Å²	74	81.8 Å²	81.8	33%	0.325	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-110	7.7	-179.3	-55.2	-57.5	0	0	0	112.8	P167 P168 Y169 W175 Y193	P167-F171 HydrophobicContact CB-CB 4.39Å; P168-F171 HydrophobicContact CB-CD2 4.03Å; P168-F171 HydrophobicContact CG-CD2 4.13Å; P168-F171 PolarHBondContact O-N 2.72Å; Y169-F171 PolarHBondContact O-N 2.88Å; F171-W175 HydrophobicContact CB-CE3 4.49Å; F171-W175 AromaticContact CD1-CD2 3.8Å; F171-W175 HydrophobicContact CD1-CD2 3.8Å; F171-W175 AromaticContact CD1-CE2 3.82Å; F171-W175 AromaticContact CD1-CE3 3.87Å; F171-W175 HydrophobicContact CD1-CE3 3.87Å; F171-W175 HydrophobicContact CD1-CG 4.46Å; F171-W175 AromaticContact CD1-CH2 3.98Å; F171-W175 HydrophobicContact CD1-CH2 3.98Å; F171-W175 AromaticContact CD1-CZ2 3.92Å; F171-W175 HydrophobicContact CD1-CZ2 3.92Å; F171-W175 AromaticContact CD1-CZ3 3.96Å; F171-W175 HydrophobicContact CD1-CZ3 3.96Å; F171-W175 HydrophobicContact CE1-CH2 4.09Å; F171-W175 AromaticContact CE1-CZ2 3.9Å; F171-W175 HydrophobicContact CE1-CZ2 3.9Å; F171-Y193 HydrophobicContact CB-CD1 3.73Å; F171-Y193 HydrophobicContact CB-CD2 4.48Å; F171-Y193 HydrophobicContact CB-CE1 4.17Å; F171-Y193 HydrophobicContact CB-CG 3.95Å
172	Q	97.2	Very high	95.5	Very high	37 Å²	37	83 Å²	83	17%	0.173	39%	0.391	C	S	.	.	S	Bend	trans	-70.5	157.7	174.1	-72.7	178.3	12.8	0	0	110.6	R166 P167 P168 Y169 W175 E194	R166-Q172 VanDerWaalsContact CZ-CD 3.47Å; R166-Q172 VanDerWaalsContact NH2-OE1 3.15Å; P167-Q172 HydrophobicContact CG-CG 3.97Å; P167-Q172 PolarHBondContact O-NE2 3.41Å; P168-Q172 PolarHBondContact O-N 2.83Å; Y169-Q172 PolarHBondContact O-N 2.98Å; Q172-W175 WeakPolarHBondContact O-CB 3.38Å; Q172-W175 PolarHBondContact O-N 3.43Å; Q172-E194 VanDerWaalsContact CA-OE2 3.29Å; Q172-E194 WeakPolarHBondContact CA-OE2 3.43Å; Q172-E194 WeakPolarHBondContact CB-OE2 3.45Å
173	Y	96.3	Very high	95	Very high	35 Å²	35	86.6 Å²	86.6	14%	0.137	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	131.6	177.6	-174.5	-93.2	0	0	0	110.6	L150 D180 P181 T189 T192 E194	L150-Y173 VanDerWaalsContact C-CE2 3.49Å; L150-Y173 HydrophobicContact CB-CD2 4.22Å; L150-Y173 HydrophobicContact CB-CE2 4.31Å; L150-Y173 HydrophobicContact CD2-CD2 4.09Å; L150-Y173 HydrophobicContact CD2-CG 4.32Å; L150-Y173 WeakPolarHBondContact O-CE2 3.49Å; L150-Y173 PolarHBondContact O-OH 2.93Å; Y173-D180 HydrophobicContact CE1-CB 4.3Å; Y173-D180 PolarHBondContact OH-OD1 2.96Å; Y173-P181 WeakPolarHBondContact OH-CD 3.41Å; Y173-T189 HydrophobicContact CE2-CG2 4.16Å; Y173-T189 PolarHBondContact OH-OG1 2.93Å; Y173-T192 HydrophobicContact CD2-CG2 3.82Å; Y173-T192 HydrophobicContact CE2-CG2 3.81Å; Y173-E194 WeakPolarHBondContact CB-OE2 3.37Å; Y173-E194 PolarHBondContact N-OE2 2.87Å
174	P	96.1	Very high	94.5	Very high	32 Å²	32	89.1 Å²	89.1	21%	0.208	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	cis	-100.1	21.3	12.1	38.2	-34.7	0	0	0	115.5	L177 T192	P174-L177 CarbonylContact C-O 3.17Å; P174-L177 HydrophobicContact CB-CB 4.41Å; P174-L177 WeakPolarHBondContact O-CA 3.5Å; P174-L177 VanDerWaalsContact O-CB 3.22Å; P174-L177 WeakPolarHBondContact O-CB 3.39Å; P174-L177 PolarHBondContact O-N 3.13Å; P174-T192 WeakPolarHBondContact O-CG2 3.16Å
175	W	97.3	Very high	94.1	Very high	89 Å²	89	89.5 Å²	89.5	34%	0.337	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	137.5	-176.7	-172.9	96	0	0	0	112.4	L170 F171 Q172 T192 Y193 Y245	L170-W175 VanDerWaalsContact O-CD1 3.27Å; F171-W175 HydrophobicContact CB-CE3 4.49Å; F171-W175 AromaticContact CD1-CD2 3.8Å; F171-W175 HydrophobicContact CD1-CD2 3.8Å; F171-W175 AromaticContact CD1-CE2 3.82Å; F171-W175 AromaticContact CD1-CE3 3.87Å; F171-W175 HydrophobicContact CD1-CE3 3.87Å; F171-W175 HydrophobicContact CD1-CG 4.46Å; F171-W175 AromaticContact CD1-CH2 3.98Å; F171-W175 HydrophobicContact CD1-CH2 3.98Å; F171-W175 AromaticContact CD1-CZ2 3.92Å; F171-W175 HydrophobicContact CD1-CZ2 3.92Å; F171-W175 AromaticContact CD1-CZ3 3.96Å; F171-W175 HydrophobicContact CD1-CZ3 3.96Å; F171-W175 HydrophobicContact CE1-CH2 4.09Å; F171-W175 AromaticContact CE1-CZ2 3.9Å; F171-W175 HydrophobicContact CE1-CZ2 3.9Å; Q172-W175 WeakPolarHBondContact O-CB 3.38Å; Q172-W175 PolarHBondContact O-N 3.43Å; W175-T192 CarbonylContact O-C 3.14Å; W175-T192 VanDerWaalsContact O-CA 3.29Å; W175-T192 WeakPolarHBondContact O-CA 3.48Å; W175-T192 WeakPolarHBondContact O-CB 3.3Å; W175-Y193 VanDerWaalsContact CE3-CB 3.43Å; W175-Y193 HydrophobicContact CE3-CD2 4.37Å; W175-Y193 HydrophobicContact CE3-CG 4.2Å; W175-Y193 AromaticContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CG 4.14Å; W175-Y193 PolarHBondContact O-N 3.43Å; W175-Y245 HydrophobicContact CH2-CD1 4.1Å; W175-Y245 AromaticContact CH2-CE1 3.96Å; W175-Y245 HydrophobicContact CH2-CE1 3.96Å; W175-Y245 AromaticContact CZ3-CD1 3.84Å; W175-Y245 HydrophobicContact CZ3-CD1 3.84Å; W175-Y245 AromaticContact CZ3-CE1 3.59Å; W175-Y245 HydrophobicContact CZ3-CE1 3.59Å; W175-Y245 HydrophobicContact CZ3-CG 4.44Å; W175-Y245 AromaticContact CZ3-CZ 4Å
176	P	96.9	Very high	93.8	Very high	58 Å²	58	86.1 Å²	86.1	38%	0.377	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.4	-0.4	10.7	36.3	-38.3	0	0	0	114.8	A191 Y245	P176-A191 WeakPolarHBondContact CD-O 3.39Å; P176-Y245 WeakPolarHBondContact CD-OH 3.37Å; P176-Y245 WeakPolarHBondContact CG-OH 3.32Å
177	L	95.6	Very high	93.5	Very high	56 Å²	56	86.2 Å²	86.2	29%	0.293	42%	0.42	S	S	.	.	S	Bend	trans	-71.5	148.5	175.6	-49.2	174.2	0	0	0	109.4	P174 P181 L188 T192	P174-L177 CarbonylContact C-O 3.17Å; P174-L177 HydrophobicContact CB-CB 4.41Å; P174-L177 WeakPolarHBondContact O-CA 3.5Å; P174-L177 VanDerWaalsContact O-CB 3.22Å; P174-L177 WeakPolarHBondContact O-CB 3.39Å; P174-L177 PolarHBondContact O-N 3.13Å; L177-P181 HydrophobicContact CD1-CB 3.84Å; L177-P181 HydrophobicContact CD1-CG 3.67Å; L177-L188 HydrophobicContact CD1-CB 3.98Å; L177-T192 HydrophobicContact CD1-CG2 4.2Å
178	K	92.7	Very high	93.3	Very high	210 Å²	210	88.9 Å²	88.9	91%	0.913	43%	0.434	S	S	*	.	S	Bend	trans	-86.8	-15.3	178.2	-64.5	-177.4	-179.7	178.5	0	113
179	K	93.5	Very high	93.2	Very high	174 Å²	174	85 Å²	85	76%	0.757	41%	0.409	S	S	*	.	S	Bend	trans	-135.9	150	-176.5	-65.6	-175.1	179.1	-177.7	0	108.4	P181	K179-P181 VanDerWaalsContact O-CD 3.3Å; K179-P181 WeakPolarHBondContact O-CD 3.34Å
180	D	93.1	Very high	93.1	Very high	68 Å²	68	77.7 Å²	77.7	36%	0.364	38%	0.38	S	S	.	.			trans	-59.2	116.1	172.4	-177.5	-22.5	0	0	0	109.8	Y173 S182	Y173-D180 HydrophobicContact CE1-CB 4.3Å; Y173-D180 PolarHBondContact OH-OD1 2.96Å; D180-S182 VanDerWaalsContact C-N 3.33Å; D180-S182 WeakPolarHBondContact OD1-CB 3.44Å; D180-S182 PolarHBondContact OD1-N 3Å; D180-S182 PolarHBondContact OD1-OG 3.44Å; D180-S182 PolarHBondContact OD2-OG 3.18Å
181	P	92.9	Very high	93	Very high	6 Å²	6	72.8 Å²	72.8	4%	0.039	36%	0.36	C	S	.	.			trans	-75.9	-14.2	179.8	31.9	-38.6	0	0	0	114.5	Y173 L177 K179 Q183 S184 A185 W186 L188	Y173-P181 WeakPolarHBondContact OH-CD 3.41Å; L177-P181 HydrophobicContact CD1-CB 3.84Å; L177-P181 HydrophobicContact CD1-CG 3.67Å; K179-P181 VanDerWaalsContact O-CD 3.3Å; K179-P181 WeakPolarHBondContact O-CD 3.34Å; P181-Q183 PolarHBondContact O-N 3.03Å; P181-S184 PolarHBondContact O-N 2.79Å; P181-S184 VanDerWaalsContact O-N 3.11Å; P181-A185 CarbonylContact O-C 3.43Å; P181-A185 PolarHBondContact O-N 2.85Å; P181-W186 PolarHBondContact O-N 2.76Å; P181-L188 HydrophobicContact CB-CB 3.77Å; P181-L188 HydrophobicContact CG-CB 4.26Å
182	S	88	Confident	93	Very high	32 Å²	32	69.3 Å²	69.3	22%	0.224	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-33.4	-171.3	59.4	0	0	0	0	114.5	G151 D180	G151-S182 WeakPolarHBondContact O-CB 3.34Å; D180-S182 VanDerWaalsContact C-N 3.33Å; D180-S182 WeakPolarHBondContact OD1-CB 3.44Å; D180-S182 PolarHBondContact OD1-N 3Å; D180-S182 PolarHBondContact OD1-OG 3.44Å; D180-S182 PolarHBondContact OD2-OG 3.18Å
183	Q	84.8	Confident	93	Very high	180 Å²	180	68.7 Å²	68.7	84%	0.841	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-26.6	-175.6	-68.5	-177.5	59.6	0	0	114.4	P181	P181-Q183 PolarHBondContact O-N 3.03Å
184	S	85.4	Confident	93.1	Very high	112 Å²	112	67.3 Å²	67.3	78%	0.783	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-24.3	-171.4	65.4	0	0	0	0	114.5	P181	P181-S184 PolarHBondContact O-N 2.79Å; P181-S184 VanDerWaalsContact O-N 3.11Å
185	A	89	Confident	93.1	Very high	17 Å²	17	65.9 Å²	65.9	14%	0.14	33%	0.326	C	S	.	.			trans	-158.7	58	-173.7	0	0	0	0	0	109	P181 F187 L188	P181-A185 CarbonylContact O-C 3.43Å; P181-A185 PolarHBondContact O-N 2.85Å; A185-F187 HydrophobicContact CB-CD1 4.39Å; A185-F187 HydrophobicContact CB-CE1 3.81Å; A185-F187 HydrophobicContact CB-CZ 4.16Å; A185-F187 PolarHBondContact O-N 3.07Å; A185-L188 HydrophobicContact CB-CD1 3.68Å; A185-L188 HydrophobicContact CB-CG 3.95Å; A185-L188 VanDerWaalsContact O-CB 3.3Å; A185-L188 WeakPolarHBondContact O-CB 3.44Å; A185-L188 PolarHBondContact O-N 3.3Å
186	W	89.8	Confident	93.1	Very high	105 Å²	105	61.8 Å²	61.8	40%	0.398	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-50.6	-33.6	-171.6	71.3	-95	0	0	0	113.4	D144 P181 L188 T189 Y190	D144-W186 HydrophobicContact CB-CE3 3.94Å; D144-W186 HydrophobicContact CB-CH2 4.04Å; D144-W186 HydrophobicContact CB-CZ3 3.5Å; P181-W186 PolarHBondContact O-N 2.76Å; W186-L188 PolarHBondContact O-N 3.46Å; W186-L188 VanDerWaalsContact O-N 3.15Å; W186-T189 WeakPolarHBondContact O-CB 3.34Å; W186-T189 PolarHBondContact O-N 3.16Å; W186-T189 PolarHBondContact O-OG1 2.9Å; W186-T189 VanDerWaalsContact O-OG1 3.05Å; W186-Y190 HydrophobicContact CH2-CE2 4.46Å; W186-Y190 AromaticContact CZ3-CE2 3.77Å; W186-Y190 HydrophobicContact CZ3-CE2 3.77Å
187	F	90	Very high	93.1	Very high	106 Å²	106	60.8 Å²	60.8	47%	0.465	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-59.1	-26.1	177.1	66.9	-91.9	0	0	0	113	A185 T189 Y190	A185-F187 HydrophobicContact CB-CD1 4.39Å; A185-F187 HydrophobicContact CB-CE1 3.81Å; A185-F187 HydrophobicContact CB-CZ 4.16Å; A185-F187 PolarHBondContact O-N 3.07Å; F187-T189 PolarHBondContact O-N 3.17Å; F187-Y190 WeakPolarHBondContact O-CD2 3.35Å; F187-Y190 PolarHBondContact O-N 2.96Å
188	L	93.5	Very high	93.2	Very high	63 Å²	63	58.1 Å²	58.1	33%	0.33	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-68.6	-8.9	173.4	-63.4	180	0	0	0	112.9	L177 P181 A185 W186 Y190 A191	L177-L188 HydrophobicContact CD1-CB 3.98Å; P181-L188 HydrophobicContact CB-CB 3.77Å; P181-L188 HydrophobicContact CG-CB 4.26Å; A185-L188 HydrophobicContact CB-CD1 3.68Å; A185-L188 HydrophobicContact CB-CG 3.95Å; A185-L188 VanDerWaalsContact O-CB 3.3Å; A185-L188 WeakPolarHBondContact O-CB 3.44Å; A185-L188 PolarHBondContact O-N 3.3Å; W186-L188 PolarHBondContact O-N 3.46Å; W186-L188 VanDerWaalsContact O-N 3.15Å; L188-Y190 PolarHBondContact O-N 3.06Å; L188-A191 WeakPolarHBondContact O-CA 3.45Å; L188-A191 WeakPolarHBondContact O-CB 3.22Å; L188-A191 PolarHBondContact O-N 2.86Å
189	T	94.8	Very high	93.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-54.6	-39.4	166.4	-72.7	0	0	0	0	111.1	L150 Y173 W186 F187 A191 T192 S195	L150-T189 HydrophobicContact CB-CG2 4.02Å; L150-T189 WeakPolarHBondContact O-CG2 3.19Å; L150-T189 PolarHBondContact O-OG1 3.15Å; Y173-T189 HydrophobicContact CE2-CG2 4.16Å; Y173-T189 PolarHBondContact OH-OG1 2.93Å; W186-T189 WeakPolarHBondContact O-CB 3.34Å; W186-T189 PolarHBondContact O-N 3.16Å; W186-T189 PolarHBondContact O-OG1 2.9Å; W186-T189 VanDerWaalsContact O-OG1 3.05Å; F187-T189 PolarHBondContact O-N 3.17Å; T189-A191 PolarHBondContact O-N 3.39Å; T189-T192 WeakPolarHBondContact O-CB 3.33Å; T189-T192 WeakPolarHBondContact O-CG2 3.49Å; T189-T192 PolarHBondContact O-N 2.89Å; T189-T192 PolarHBondContact O-OG1 2.84Å; T189-S195 WeakPolarHBondContact O-CB 3.3Å
190	Y	94.6	Very high	93.5	Very high	39 Å²	39	40.6 Å²	40.6	15%	0.153	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.4	176.1	-63.6	-64.4	0	0	0	113.6	Q143 D144 G145 W186 F187 L188 T192 F199 P240	Q143-Y190 PolarHBondContact NE2-OH 3.35Å; Q143-Y190 PolarHBondContact OE1-OH 2.95Å; D144-Y190 WeakPolarHBondContact CA-OH 3.35Å; G145-Y190 VanDerWaalsContact N-CZ 3.32Å; G145-Y190 PolarHBondContact N-OH 3.43Å; W186-Y190 HydrophobicContact CH2-CE2 4.46Å; W186-Y190 AromaticContact CZ3-CE2 3.77Å; W186-Y190 HydrophobicContact CZ3-CE2 3.77Å; F187-Y190 WeakPolarHBondContact O-CD2 3.35Å; F187-Y190 PolarHBondContact O-N 2.96Å; L188-Y190 PolarHBondContact O-N 3.06Å; Y190-T192 VanDerWaalsContact C-N 3.28Å; Y190-F199 HydrophobicContact CD1-CE2 4.13Å; Y190-F199 AromaticContact CE1-CE2 3.92Å; Y190-F199 HydrophobicContact CE1-CE2 3.92Å; Y190-F199 HydrophobicContact CE1-CZ 4.02Å; Y190-P240 HydrophobicContact CD1-CB 4.04Å; Y190-P240 HydrophobicContact CD1-CG 3.92Å; Y190-P240 HydrophobicContact CE1-CB 4.48Å; Y190-P240 HydrophobicContact CE1-CG 4.09Å
191	A	94.9	Very high	93.8	Very high	35 Å²	35	37.7 Å²	37.7	29%	0.289	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-84.5	1	173.6	0	0	0	0	0	112.9	P176 L188 T189 Y245	P176-A191 WeakPolarHBondContact CD-O 3.39Å; L188-A191 WeakPolarHBondContact O-CA 3.45Å; L188-A191 WeakPolarHBondContact O-CB 3.22Å; L188-A191 PolarHBondContact O-N 2.86Å; T189-A191 PolarHBondContact O-N 3.39Å; A191-Y245 PolarHBondContact O-OH 3.02Å
192	T	96.6	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-87.2	147.3	176.8	69.3	0	0	0	0	111.6	Y173 P174 W175 L177 T189 Y190 E194 S195 A196	Y173-T192 HydrophobicContact CD2-CG2 3.82Å; Y173-T192 HydrophobicContact CE2-CG2 3.81Å; P174-T192 WeakPolarHBondContact O-CG2 3.16Å; W175-T192 CarbonylContact O-C 3.14Å; W175-T192 VanDerWaalsContact O-CA 3.29Å; W175-T192 WeakPolarHBondContact O-CA 3.48Å; W175-T192 WeakPolarHBondContact O-CB 3.3Å; L177-T192 HydrophobicContact CD1-CG2 4.2Å; T189-T192 WeakPolarHBondContact O-CB 3.33Å; T189-T192 WeakPolarHBondContact O-CG2 3.49Å; T189-T192 PolarHBondContact O-N 2.89Å; T189-T192 PolarHBondContact O-OG1 2.84Å; Y190-T192 VanDerWaalsContact C-N 3.28Å; T192-E194 PolarHBondContact O-N 3.41Å; T192-S195 PolarHBondContact O-N 3.39Å; T192-S195 VanDerWaalsContact OG1-CB 3.25Å; T192-S195 WeakPolarHBondContact OG1-CB 3.22Å; T192-S195 PolarHBondContact OG1-N 3.49Å; T192-A196 PolarHBondContact O-N 3.24Å; T192-A196 VanDerWaalsContact O-N 3.08Å
193	Y	97.8	Very high	94.4	Very high	25 Å²	25	36.4 Å²	36.4	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-41.2	179.3	-177.3	-74.8	0	0	0	112	P167 F171 W175 S195 A196 H197 Y245	P167-Y193 HydrophobicContact CB-CD1 3.91Å; P167-Y193 HydrophobicContact CB-CE1 3.61Å; P167-Y193 HydrophobicContact CG-CD1 4.16Å; P167-Y193 HydrophobicContact CG-CE1 4.33Å; F171-Y193 HydrophobicContact CB-CD1 3.73Å; F171-Y193 HydrophobicContact CB-CD2 4.48Å; F171-Y193 HydrophobicContact CB-CE1 4.17Å; F171-Y193 HydrophobicContact CB-CG 3.95Å; W175-Y193 VanDerWaalsContact CE3-CB 3.43Å; W175-Y193 HydrophobicContact CE3-CD2 4.37Å; W175-Y193 HydrophobicContact CE3-CG 4.2Å; W175-Y193 AromaticContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CD2 3.85Å; W175-Y193 HydrophobicContact CZ3-CG 4.14Å; W175-Y193 PolarHBondContact O-N 3.43Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 2.95Å; Y193-A196 PolarHBondContact O-N 3.36Å; Y193-H197 HydrophobicContact CD1-CB 4.21Å; Y193-H197 HydrophobicContact CE1-CB 4.02Å; Y193-H197 WeakPolarHBondContact O-CB 3.32Å; Y193-H197 PolarHBondContact O-N 2.87Å; Y193-Y245 HydrophobicContact CD2-CD1 4.24Å; Y193-Y245 AromaticContact CD2-CD2 3.56Å; Y193-Y245 HydrophobicContact CD2-CD2 3.56Å; Y193-Y245 HydrophobicContact CD2-CE2 4.3Å; Y193-Y245 AromaticContact CD2-CG 3.54Å; Y193-Y245 HydrophobicContact CD2-CG 3.54Å; Y193-Y245 HydrophobicContact CE2-CD2 4.38Å; Y193-Y245 HydrophobicContact CE2-CG 4.13Å; Y193-Y245 HydrophobicContact CG-CD2 4.15Å
194	E	97.2	Very high	95	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-34.9	-178.7	-164.7	168.6	-175.4	0	0	112.1	L150 R166 P167 Q172 Y173 T192 A198	L150-E194 HydrophobicContact CD2-CB 3.89Å; L150-E194 HydrophobicContact CD2-CG 3.75Å; R166-E194 IonicContact CZ-OE1 3.35Å; R166-E194 IonicContact CZ-OE2 3.82Å; R166-E194 IonicContact NE-OE1 2.75Å; R166-E194 PolarHBondContact NE-OE1 2.9Å; R166-E194 IonicContact NE-OE2 3.91Å; R166-E194 IonicContact NH2-OE1 3.09Å; R166-E194 PolarHBondContact NH2-OE1 3.39Å; R166-E194 VanDerWaalsContact NH2-OE1 3.09Å; R166-E194 IonicContact NH2-OE2 2.86Å; R166-E194 PolarHBondContact NH2-OE2 3.03Å; P167-E194 HydrophobicContact CG-CB 4.08Å; P167-E194 HydrophobicContact CG-CG 3.83Å; Q172-E194 VanDerWaalsContact CA-OE2 3.29Å; Q172-E194 WeakPolarHBondContact CA-OE2 3.43Å; Q172-E194 WeakPolarHBondContact CB-OE2 3.45Å; Y173-E194 WeakPolarHBondContact CB-OE2 3.37Å; Y173-E194 PolarHBondContact N-OE2 2.87Å; T192-E194 PolarHBondContact O-N 3.41Å; E194-A198 WeakPolarHBondContact O-CB 3.19Å; E194-A198 PolarHBondContact O-N 3.07Å
195	S	96.3	Very high	95.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-53.9	170.4	179.4	0	0	0	0	111.3	T189 T192 Y193 H197 A198 F199	T189-S195 WeakPolarHBondContact O-CB 3.3Å; T192-S195 PolarHBondContact O-N 3.39Å; T192-S195 VanDerWaalsContact OG1-CB 3.25Å; T192-S195 WeakPolarHBondContact OG1-CB 3.22Å; T192-S195 PolarHBondContact OG1-N 3.49Å; Y193-S195 VanDerWaalsContact C-N 3.31Å; Y193-S195 PolarHBondContact O-N 2.95Å; S195-H197 PolarHBondContact O-N 3.31Å; S195-A198 PolarHBondContact O-N 3.42Å; S195-F199 WeakPolarHBondContact O-CD2 3.45Å; S195-F199 PolarHBondContact O-N 3.41Å; S195-F199 VanDerWaalsContact O-N 3.07Å
196	A	97.1	Very high	96	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-39.1	179.4	0	0	0	0	0	112	T192 Y193 E200 G242 N243 F244 Y245	T192-A196 PolarHBondContact O-N 3.24Å; T192-A196 VanDerWaalsContact O-N 3.08Å; Y193-A196 PolarHBondContact O-N 3.36Å; A196-E200 VanDerWaalsContact O-CB 3.3Å; A196-E200 WeakPolarHBondContact O-CB 3.22Å; A196-E200 PolarHBondContact O-N 3.37Å; A196-G242 CarbonylContact O-C 3.6Å; A196-N243 HydrophobicContact CB-CB 4.41Å; A196-N243 PolarHBondContact O-N 2.9Å; A196-F244 HydrophobicContact CB-CD1 4.25Å; A196-F244 HydrophobicContact CB-CE1 3.95Å; A196-Y245 HydrophobicContact CB-CD2 4.3Å; A196-Y245 HydrophobicContact CB-CE2 4.44Å
197	H	97.8	Very high	96.1	Very high	37 Å²	37	32.6 Å²	32.6	17%	0.171	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-41.1	174.4	174.8	81.5	0	0	0	113.4	K165 Y193 S195 S201	K165-H197 PolarHBondContact O-NE2 3.25Å; Y193-H197 HydrophobicContact CD1-CB 4.21Å; Y193-H197 HydrophobicContact CE1-CB 4.02Å; Y193-H197 WeakPolarHBondContact O-CB 3.32Å; Y193-H197 PolarHBondContact O-N 2.87Å; S195-H197 PolarHBondContact O-N 3.31Å; H197-S201 WeakPolarHBondContact O-CB 3.47Å; H197-S201 PolarHBondContact O-N 3.42Å; H197-S201 PolarHBondContact O-OG 3.13Å
198	A	97	Very high	96.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-48.1	178.6	0	0	0	0	0	111.5	L146 L150 M161 I164 E194 S195 S201 I202	L146-A198 HydrophobicContact CD2-CB 3.61Å; L150-A198 HydrophobicContact CD1-CB 4.39Å; M161-A198 HydrophobicContact CE-CB 4.16Å; I164-A198 HydrophobicContact CD1-CB 4.09Å; E194-A198 WeakPolarHBondContact O-CB 3.19Å; E194-A198 PolarHBondContact O-N 3.07Å; S195-A198 PolarHBondContact O-N 3.42Å; A198-S201 WeakPolarHBondContact O-CB 3.44Å; A198-S201 PolarHBondContact O-N 3.44Å; A198-S201 VanDerWaalsContact O-N 3.17Å; A198-I202 WeakPolarHBondContact O-CG1 3.12Å; A198-I202 PolarHBondContact O-N 3.21Å
199	F	96.8	Very high	96.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-42.3	177.2	-77.3	-77.4	0	0	0	112.9	L146 Y190 S195 S201 I202 Y203 I236 P240	L146-F199 HydrophobicContact CB-CE1 4.43Å; L146-F199 HydrophobicContact CB-CE2 3.81Å; L146-F199 HydrophobicContact CB-CZ 3.64Å; L146-F199 HydrophobicContact CD1-CE1 4.09Å; L146-F199 HydrophobicContact CD1-CZ 4.14Å; L146-F199 HydrophobicContact CD2-CE2 4.3Å; L146-F199 HydrophobicContact CD2-CZ 4.38Å; L146-F199 HydrophobicContact CG-CZ 4.28Å; Y190-F199 HydrophobicContact CD1-CE2 4.13Å; Y190-F199 AromaticContact CE1-CE2 3.92Å; Y190-F199 HydrophobicContact CE1-CE2 3.92Å; Y190-F199 HydrophobicContact CE1-CZ 4.02Å; S195-F199 WeakPolarHBondContact O-CD2 3.45Å; S195-F199 PolarHBondContact O-N 3.41Å; S195-F199 VanDerWaalsContact O-N 3.07Å; F199-S201 VanDerWaalsContact C-N 3.25Å; F199-S201 PolarHBondContact O-N 3.14Å; F199-I202 HydrophobicContact CD1-CD1 4.47Å; F199-I202 WeakPolarHBondContact O-CB 3.3Å; F199-I202 PolarHBondContact O-N 3.06Å; F199-I202 VanDerWaalsContact O-N 3.14Å; F199-Y203 HydrophobicContact CB-CE2 4.03Å; F199-Y203 VanDerWaalsContact O-CD2 3.29Å; F199-Y203 WeakPolarHBondContact O-CD2 3.26Å; F199-Y203 VanDerWaalsContact O-CG 3.24Å; F199-Y203 PolarHBondContact O-N 2.84Å; F199-I236 HydrophobicContact CE1-CD1 4.46Å; F199-P240 HydrophobicContact CB-CG 4Å; F199-P240 HydrophobicContact CD1-CG 3.62Å; F199-P240 HydrophobicContact CD2-CG 3.26Å; F199-P240 HydrophobicContact CE1-CG 3.78Å; F199-P240 HydrophobicContact CE2-CG 3.44Å; F199-P240 VanDerWaalsContact CE2-CG 3.44Å; F199-P240 HydrophobicContact CG-CG 3.34Å; F199-P240 HydrophobicContact CZ-CG 3.67Å
200	E	97.2	Very high	96.9	Very high	15 Å²	15	26.9 Å²	26.9	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-40.8	172.6	-173.9	71.2	-157.7	0	0	112	A196 I202 Y203 K204 N243 L250	A196-E200 VanDerWaalsContact O-CB 3.3Å; A196-E200 WeakPolarHBondContact O-CB 3.22Å; A196-E200 PolarHBondContact O-N 3.37Å; E200-I202 VanDerWaalsContact C-N 3.32Å; E200-I202 PolarHBondContact O-N 3.4Å; E200-Y203 PolarHBondContact O-N 3.03Å; E200-K204 HydrophobicContact CG-CD 4.11Å; E200-K204 WeakPolarHBondContact O-CB 3.36Å; E200-K204 PolarHBondContact O-N 3.44Å; E200-K204 WeakPolarHBondContact OE1-CD 3.41Å; E200-K204 WeakPolarHBondContact OE1-CE 3.46Å; E200-K204 IonicContact OE1-NZ 3.05Å; E200-K204 PolarHBondContact OE1-NZ 2.7Å; E200-N243 HydrophobicContact CB-CB 3.63Å; E200-N243 HydrophobicContact CG-CB 3.81Å; E200-N243 PolarHBondContact OE2-N 3.1Å; E200-L250 WeakPolarHBondContact OE2-CD1 3.39Å
201	S	97.7	Very high	97	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-39.5	178.1	-61.7	0	0	0	0	111.5	H197 A198 F199 N205 V206 L209	H197-S201 WeakPolarHBondContact O-CB 3.47Å; H197-S201 PolarHBondContact O-N 3.42Å; H197-S201 PolarHBondContact O-OG 3.13Å; A198-S201 WeakPolarHBondContact O-CB 3.44Å; A198-S201 PolarHBondContact O-N 3.44Å; A198-S201 VanDerWaalsContact O-N 3.17Å; F199-S201 VanDerWaalsContact C-N 3.25Å; F199-S201 PolarHBondContact O-N 3.14Å; S201-N205 PolarHBondContact O-N 3.01Å; S201-V206 PolarHBondContact O-N 2.94Å; S201-L209 WeakPolarHBondContact O-CD1 3.26Å
202	I	97.5	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-53.8	172.8	-66.8	166.5	0	0	0	109.9	L146 F160 A198 F199 E200 K204 N205 L209 W210 F213 F263	L146-I202 HydrophobicContact CD1-CD1 3.84Å; L146-I202 HydrophobicContact CD2-CD1 3.9Å; F160-I202 HydrophobicContact CE1-CD1 4.2Å; F160-I202 HydrophobicContact CE1-CG1 4.4Å; F160-I202 HydrophobicContact CZ-CD1 4.24Å; F160-I202 HydrophobicContact CZ-CG1 4.12Å; A198-I202 WeakPolarHBondContact O-CG1 3.12Å; A198-I202 PolarHBondContact O-N 3.21Å; F199-I202 HydrophobicContact CD1-CD1 4.47Å; F199-I202 WeakPolarHBondContact O-CB 3.3Å; F199-I202 PolarHBondContact O-N 3.06Å; F199-I202 VanDerWaalsContact O-N 3.14Å; E200-I202 VanDerWaalsContact C-N 3.32Å; E200-I202 PolarHBondContact O-N 3.4Å; I202-K204 PolarHBondContact O-N 3.39Å; I202-N205 PolarHBondContact O-N 3.27Å; I202-L209 HydrophobicContact CG1-CD1 4.37Å; I202-W210 VanDerWaalsContact O-CD1 3.23Å; I202-W210 PolarHBondContact O-NE1 2.74Å; I202-F213 HydrophobicContact CD1-CE2 4.2Å; I202-F213 HydrophobicContact CD1-CZ 4.15Å; I202-F213 HydrophobicContact CG1-CE2 4.2Å; I202-F213 HydrophobicContact CG2-CD2 4.46Å; I202-F213 HydrophobicContact CG2-CE2 3.63Å; I202-F213 HydrophobicContact CG2-CZ 3.98Å; I202-F263 HydrophobicContact CG2-CE1 4.49Å; I202-F263 HydrophobicContact CG2-CE2 4.41Å; I202-F263 HydrophobicContact CG2-CZ 4.22Å
203	Y	97.1	Very high	97.3	Very high	11 Å²	11	30.2 Å²	30.2	4%	0.043	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-30.3	-176.3	-53.9	-30.2	0	0	0	113.3	F199 E200 N205 W210 P239 P240 L260 F263	F199-Y203 HydrophobicContact CB-CE2 4.03Å; F199-Y203 VanDerWaalsContact O-CD2 3.29Å; F199-Y203 WeakPolarHBondContact O-CD2 3.26Å; F199-Y203 VanDerWaalsContact O-CG 3.24Å; F199-Y203 PolarHBondContact O-N 2.84Å; E200-Y203 PolarHBondContact O-N 3.03Å; Y203-N205 VanDerWaalsContact C-N 3.28Å; Y203-W210 WeakPolarHBondContact O-CZ2 3.22Å; Y203-P239 WeakPolarHBondContact OH-CB 3.27Å; Y203-P240 WeakPolarHBondContact CE2-O 3.06Å; Y203-P240 PolarHBondContact OH-O 3.19Å; Y203-L260 HydrophobicContact CD1-CD2 4Å; Y203-L260 HydrophobicContact CE1-CD2 3.36Å; Y203-L260 HydrophobicContact CE1-CG 4.45Å; Y203-L260 HydrophobicContact CE2-CD2 4.33Å; Y203-F263 HydrophobicContact CD1-CD1 4.47Å
204	K	96.8	Very high	97.3	Very high	137 Å²	137	29 Å²	29	60%	0.596	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	2.4	174.2	-74.9	-179.7	166.3	151.2	0	114.3	E200 I202 V206	E200-K204 HydrophobicContact CG-CD 4.11Å; E200-K204 WeakPolarHBondContact O-CB 3.36Å; E200-K204 PolarHBondContact O-N 3.44Å; E200-K204 WeakPolarHBondContact OE1-CD 3.41Å; E200-K204 WeakPolarHBondContact OE1-CE 3.46Å; E200-K204 IonicContact OE1-NZ 3.05Å; E200-K204 PolarHBondContact OE1-NZ 2.7Å; I202-K204 PolarHBondContact O-N 3.39Å; K204-V206 HydrophobicContact CB-CG2 4.06Å; K204-V206 PolarHBondContact O-N 3.09Å
205	N	97.7	Very high	97.3	Very high	52 Å²	52	32 Å²	32	28%	0.278	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	37	-177.2	-166.1	20.2	0	0	0	113	S201 I202 Y203 S207 G208 L209 W210	S201-N205 PolarHBondContact O-N 3.01Å; I202-N205 PolarHBondContact O-N 3.27Å; Y203-N205 VanDerWaalsContact C-N 3.28Å; N205-S207 PolarHBondContact O-N 2.69Å; N205-G208 PolarHBondContact O-N 2.86Å; N205-G208 WeakPolarHBondContact OD1-CA 3.47Å; N205-L209 PolarHBondContact OD1-N 3.33Å; N205-L209 VanDerWaalsContact OD1-N 3.09Å; N205-W210 HydrophobicContact CB-CD2 3.66Å; N205-W210 HydrophobicContact CB-CE3 4.22Å; N205-W210 HydrophobicContact CB-CG 3.79Å; N205-W210 HydrophobicContact CB-CZ2 4.29Å; N205-W210 VanDerWaalsContact CG-CG 3.42Å; N205-W210 VanDerWaalsContact OD1-CB 3.25Å; N205-W210 WeakPolarHBondContact OD1-CB 3.44Å; N205-W210 VanDerWaalsContact OD1-CG 3.29Å; N205-W210 PolarHBondContact OD1-N 2.84Å
206	V	97.1	Very high	97.4	Very high	54 Å²	54	32 Å²	32	33%	0.327	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-55.5	134.8	179.6	172.9	0	0	0	0	108.6	S201 K204 G208 L209	S201-V206 PolarHBondContact O-N 2.94Å; K204-V206 HydrophobicContact CB-CG2 4.06Å; K204-V206 PolarHBondContact O-N 3.09Å; V206-G208 PolarHBondContact O-N 3.07Å; V206-L209 HydrophobicContact CB-CD1 4.21Å; V206-L209 VanDerWaalsContact O-CD1 3.23Å; V206-L209 WeakPolarHBondContact O-CD1 3.41Å; V206-L209 WeakPolarHBondContact O-CG 3.45Å; V206-L209 PolarHBondContact O-N 3.47Å; V206-L209 VanDerWaalsContact O-N 3.12Å
207	S	93.1	Very high	97.5	Very high	90 Å²	90	31.9 Å²	31.9	63%	0.629	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	55.6	19.8	-179.6	-51.8	0	0	0	0	115.3	N205	N205-S207 PolarHBondContact O-N 2.69Å
208	G	97.4	Very high	97.5	Very high	17 Å²	17	35.1 Å²	35.1	18%	0.175	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	73.7	27.7	-178.1	0	0	0	0	0	114.3	N205 V206 W210 N211	N205-G208 PolarHBondContact O-N 2.86Å; N205-G208 WeakPolarHBondContact OD1-CA 3.47Å; V206-G208 PolarHBondContact O-N 3.07Å; G208-W210 PolarHBondContact O-N 3.22Å; G208-W210 VanDerWaalsContact O-N 3.09Å; G208-N211 WeakPolarHBondContact O-CB 3.46Å; G208-N211 PolarHBondContact O-N 2.99Å; G208-N211 PolarHBondContact O-ND2 3.27Å
209	L	98.2	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.9	-178.7	-76.2	160	0	0	0	114	F160 K163 I164 S201 I202 N205 V206 N211 Y212	F160-L209 HydrophobicContact CD2-CD2 4.25Å; F160-L209 HydrophobicContact CE1-CD2 4.17Å; F160-L209 HydrophobicContact CE2-CD2 3.59Å; F160-L209 HydrophobicContact CZ-CB 4.48Å; F160-L209 HydrophobicContact CZ-CD2 3.55Å; F160-L209 HydrophobicContact CZ-CG 4.49Å; K163-L209 HydrophobicContact CB-CD2 3.92Å; I164-L209 HydrophobicContact CD1-CD1 4.32Å; I164-L209 HydrophobicContact CD1-CD2 4.47Å; I164-L209 HydrophobicContact CG1-CD1 3.86Å; I164-L209 HydrophobicContact CG1-CD2 3.9Å; S201-L209 WeakPolarHBondContact O-CD1 3.26Å; I202-L209 HydrophobicContact CG1-CD1 4.37Å; N205-L209 PolarHBondContact OD1-N 3.33Å; N205-L209 VanDerWaalsContact OD1-N 3.09Å; V206-L209 HydrophobicContact CB-CD1 4.21Å; V206-L209 VanDerWaalsContact O-CD1 3.23Å; V206-L209 WeakPolarHBondContact O-CD1 3.41Å; V206-L209 WeakPolarHBondContact O-CG 3.45Å; V206-L209 PolarHBondContact O-N 3.47Å; V206-L209 VanDerWaalsContact O-N 3.12Å; L209-N211 PolarHBondContact O-N 3.45Å; L209-Y212 PolarHBondContact O-N 2.84Å; L209-Y212 VanDerWaalsContact O-N 3.15Å
210	W	98.2	Very high	97.7	Very high	34 Å²	34	36.5 Å²	36.5	13%	0.129	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-29.3	177.4	-69.8	2.8	0	0	0	112.9	I202 Y203 N205 G208 Y212 F213 A214 L262 F263 Y266	I202-W210 VanDerWaalsContact O-CD1 3.23Å; I202-W210 PolarHBondContact O-NE1 2.74Å; Y203-W210 WeakPolarHBondContact O-CZ2 3.22Å; N205-W210 HydrophobicContact CB-CD2 3.66Å; N205-W210 HydrophobicContact CB-CE3 4.22Å; N205-W210 HydrophobicContact CB-CG 3.79Å; N205-W210 HydrophobicContact CB-CZ2 4.29Å; N205-W210 VanDerWaalsContact CG-CG 3.42Å; N205-W210 VanDerWaalsContact OD1-CB 3.25Å; N205-W210 WeakPolarHBondContact OD1-CB 3.44Å; N205-W210 VanDerWaalsContact OD1-CG 3.29Å; N205-W210 PolarHBondContact OD1-N 2.84Å; G208-W210 PolarHBondContact O-N 3.22Å; G208-W210 VanDerWaalsContact O-N 3.09Å; W210-Y212 VanDerWaalsContact C-N 3.25Å; W210-Y212 PolarHBondContact O-N 3.26Å; W210-F213 PolarHBondContact O-N 2.79Å; W210-A214 WeakPolarHBondContact O-CB 3.32Å; W210-A214 PolarHBondContact O-N 2.98Å; W210-L262 HydrophobicContact CH2-CB 4.28Å; W210-F263 AromaticContact CD1-CD2 3.51Å; W210-F263 AromaticContact CD1-CE2 3.78Å; W210-F263 HydrophobicContact CD2-CD2 4.12Å; W210-F263 AromaticContact CE2-CD2 3.7Å; W210-F263 HydrophobicContact CG-CD2 4.01Å; W210-F263 HydrophobicContact CG-CE2 4.32Å; W210-F263 HydrophobicContact CZ2-CB 3.84Å; W210-F263 HydrophobicContact CZ2-CD2 4.36Å; W210-F263 AromaticContact NE1-CD2 3.32Å; W210-F263 VanDerWaalsContact NE1-CD2 3.32Å; W210-Y266 HydrophobicContact CB-CD1 3.75Å; W210-Y266 HydrophobicContact CB-CE1 3.51Å; W210-Y266 HydrophobicContact CB-CG 4.46Å; W210-Y266 HydrophobicContact CD2-CD1 4.11Å; W210-Y266 HydrophobicContact CD2-CG 4.13Å; W210-Y266 VanDerWaalsContact CE3-CB 3.49Å; W210-Y266 AromaticContact CE3-CD1 3.76Å; W210-Y266 HydrophobicContact CE3-CD1 3.76Å; W210-Y266 AromaticContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CE1 4.42Å; W210-Y266 HydrophobicContact CE3-CE2 4.32Å; W210-Y266 AromaticContact CE3-CG 3.33Å; W210-Y266 HydrophobicContact CE3-CG 3.33Å; W210-Y266 HydrophobicContact CG-CD1 4.18Å; W210-Y266 HydrophobicContact CG-CE1 4.41Å; W210-Y266 HydrophobicContact CZ3-CD2 4.15Å; W210-Y266 AromaticContact CZ3-CG 3.87Å; W210-Y266 HydrophobicContact CZ3-CG 3.87Å; W210-Y266 WeakPolarHBondContact O-CE1 3.3Å
211	N	98.3	Very high	97.8	Very high	97 Å²	97	35.9 Å²	35.9	52%	0.519	18%	0.182	S	C	.	.	H	α-helix	trans	-64.8	-29.5	178.8	-67.9	-39.2	0	0	0	112.5	G208 L209 A214 E215 Y266	G208-N211 WeakPolarHBondContact O-CB 3.46Å; G208-N211 PolarHBondContact O-N 2.99Å; G208-N211 PolarHBondContact O-ND2 3.27Å; L209-N211 PolarHBondContact O-N 3.45Å; N211-A214 WeakPolarHBondContact O-CB 2.98Å; N211-A214 PolarHBondContact O-N 3.32Å; N211-E215 WeakPolarHBondContact O-CB 3.31Å; N211-E215 PolarHBondContact O-N 3.32Å; N211-Y266 PolarHBondContact OD1-OH 2.89Å
212	Y	97.8	Very high	97.8	Very high	45 Å²	45	41.7 Å²	41.7	18%	0.176	21%	0.213	C	C	.	.	H	α-helix	trans	-76	-38.3	177.1	-56.1	-81.8	0	0	0	111.4	W105 E112 W159 F160 K163 L209 W210 A214 E215 Y216	W105-Y212 WeakPolarHBondContact CZ2-O 3.48Å; E112-Y212 HydrophobicContact CG-CE1 4.47Å; W159-Y212 AromaticContact CH2-CD1 3.96Å; W159-Y212 HydrophobicContact CH2-CD1 3.96Å; W159-Y212 AromaticContact CZ3-CD1 3.5Å; W159-Y212 HydrophobicContact CZ3-CD1 3.5Å; W159-Y212 AromaticContact CZ3-CE1 3.86Å; W159-Y212 HydrophobicContact CZ3-CE1 3.86Å; W159-Y212 HydrophobicContact CZ3-CG 4.16Å; F160-Y212 HydrophobicContact CD2-CD2 4.27Å; F160-Y212 HydrophobicContact CD2-CG 4.16Å; F160-Y212 HydrophobicContact CE2-CD2 4.27Å; F160-Y212 HydrophobicContact CE2-CG 4.41Å; K163-Y212 WeakPolarHBondContact CE-OH 3.31Å; K163-Y212 HydrophobicContact CG-CE2 4.05Å; L209-Y212 PolarHBondContact O-N 2.84Å; L209-Y212 VanDerWaalsContact O-N 3.15Å; W210-Y212 VanDerWaalsContact C-N 3.25Å; W210-Y212 PolarHBondContact O-N 3.26Å; Y212-A214 VanDerWaalsContact C-N 3.33Å; Y212-E215 PolarHBondContact O-N 2.88Å; Y212-Y216 PolarHBondContact O-N 2.54Å
213	F	98.1	Very high	97.8	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-40.2	169.5	-78	-92.6	0	0	0	111.4	W105 L141 F160 I202 W210 E215 Y216 W217 I236 F263 L267	W105-F213 HydrophobicContact CE3-CE1 4.49Å; W105-F213 HydrophobicContact CH2-CB 4.28Å; W105-F213 AromaticContact CH2-CD1 3.85Å; W105-F213 HydrophobicContact CH2-CD1 3.85Å; W105-F213 AromaticContact CH2-CD2 3.77Å; W105-F213 HydrophobicContact CH2-CD2 3.77Å; W105-F213 HydrophobicContact CH2-CE1 4.13Å; W105-F213 HydrophobicContact CH2-CE2 4.04Å; W105-F213 AromaticContact CH2-CG 3.67Å; W105-F213 HydrophobicContact CH2-CG 3.67Å; W105-F213 HydrophobicContact CH2-CZ 4.21Å; W105-F213 AromaticContact CZ3-CD1 3.56Å; W105-F213 HydrophobicContact CZ3-CD1 3.56Å; W105-F213 HydrophobicContact CZ3-CD2 4.11Å; W105-F213 AromaticContact CZ3-CE1 3.49Å; W105-F213 HydrophobicContact CZ3-CE1 3.49Å; W105-F213 VanDerWaalsContact CZ3-CE1 3.49Å; W105-F213 HydrophobicContact CZ3-CE2 4.03Å; W105-F213 AromaticContact CZ3-CG 3.89Å; W105-F213 HydrophobicContact CZ3-CG 3.89Å; W105-F213 AromaticContact CZ3-CZ 3.72Å; W105-F213 HydrophobicContact CZ3-CZ 3.72Å; L141-F213 HydrophobicContact CD2-CD1 3.76Å; L141-F213 HydrophobicContact CD2-CE1 3.74Å; F160-F213 HydrophobicContact CE2-CD2 4.22Å; F160-F213 AromaticContact CE2-CE2 3.99Å; F160-F213 HydrophobicContact CE2-CE2 3.99Å; F160-F213 HydrophobicContact CZ-CD2 4.28Å; F160-F213 AromaticContact CZ-CE2 3.61Å; F160-F213 HydrophobicContact CZ-CE2 3.61Å; F160-F213 HydrophobicContact CZ-CZ 4.37Å; I202-F213 HydrophobicContact CD1-CE2 4.2Å; I202-F213 HydrophobicContact CD1-CZ 4.15Å; I202-F213 HydrophobicContact CG1-CE2 4.2Å; I202-F213 HydrophobicContact CG2-CD2 4.46Å; I202-F213 HydrophobicContact CG2-CE2 3.63Å; I202-F213 HydrophobicContact CG2-CZ 3.98Å; W210-F213 PolarHBondContact O-N 2.79Å; F213-E215 VanDerWaalsContact C-N 3.29Å; F213-E215 PolarHBondContact O-N 2.81Å; F213-Y216 WeakPolarHBondContact O-CB 3.44Å; F213-Y216 PolarHBondContact O-N 3.41Å; F213-W217 VanDerWaalsContact O-CD1 3.25Å; F213-W217 PolarHBondContact O-N 3.45Å; F213-I236 HydrophobicContact CE1-CD1 4.32Å; F213-F263 HydrophobicContact CB-CE2 4.22Å; F213-F263 HydrophobicContact CB-CZ 4.34Å; F213-F263 HydrophobicContact CD1-CE2 4.37Å; F213-F263 AromaticContact CD1-CZ 3.69Å; F213-F263 HydrophobicContact CD1-CZ 3.69Å; F213-F263 HydrophobicContact CD2-CE2 4.11Å; F213-F263 HydrophobicContact CD2-CZ 4.03Å; F213-F263 AromaticContact CE1-CZ 3.83Å; F213-F263 HydrophobicContact CE1-CZ 3.83Å; F213-F263 HydrophobicContact CE2-CZ 4.17Å; F213-F263 HydrophobicContact CG-CE2 4.01Å; F213-F263 AromaticContact CG-CZ 3.78Å; F213-F263 HydrophobicContact CG-CZ 3.78Å; F213-F263 HydrophobicContact CZ-CZ 4.08Å; F213-L267 HydrophobicContact CB-CD2 3.61Å
214	A	98.5	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-40.9	174.1	0	0	0	0	0	111.9	W210 N211 Y212 W217 R218 Y266 V270	W210-A214 WeakPolarHBondContact O-CB 3.32Å; W210-A214 PolarHBondContact O-N 2.98Å; N211-A214 WeakPolarHBondContact O-CB 2.98Å; N211-A214 PolarHBondContact O-N 3.32Å; Y212-A214 VanDerWaalsContact C-N 3.33Å; A214-W217 PolarHBondContact O-N 2.79Å; A214-R218 WeakPolarHBondContact O-CB 3.2Å; A214-R218 VanDerWaalsContact O-CG 3.26Å; A214-R218 WeakPolarHBondContact O-CG 3.38Å; A214-R218 PolarHBondContact O-N 3.11Å; A214-Y266 HydrophobicContact CB-CE1 3.86Å; A214-V270 HydrophobicContact CB-CB 4.28Å; A214-V270 HydrophobicContact CB-CG1 3.8Å; A214-V270 HydrophobicContact CB-CG2 3.78Å
215	E	98.2	Very high	97.9	Very high	69 Å²	69	38 Å²	38	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-65.2	-46.8	176.4	-173.2	179.1	-155.7	0	0	111.9	K109 N211 Y212 F213 W217 R218 I219	K109-E215 IonicContact NZ-OE1 2.61Å; K109-E215 PolarHBondContact NZ-OE1 2.99Å; K109-E215 IonicContact NZ-OE2 2.79Å; K109-E215 PolarHBondContact NZ-OE2 2.93Å; N211-E215 WeakPolarHBondContact O-CB 3.31Å; N211-E215 PolarHBondContact O-N 3.32Å; Y212-E215 PolarHBondContact O-N 2.88Å; F213-E215 VanDerWaalsContact C-N 3.29Å; F213-E215 PolarHBondContact O-N 2.81Å; E215-W217 VanDerWaalsContact C-N 3.32Å; E215-W217 PolarHBondContact O-N 3.18Å; E215-R218 PolarHBondContact O-N 3.33Å; E215-I219 HydrophobicContact CG-CD1 4.08Å; E215-I219 WeakPolarHBondContact O-CG1 3.47Å; E215-I219 PolarHBondContact O-N 2.76Å
216	Y	98.3	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-50.6	-54.4	172.6	173.6	-83.7	0	0	0	110.4	F103 W105 L108 L141 Y212 F213 R218 I219 T220	F103-Y216 WeakPolarHBondContact CB-OH 3.45Å; F103-Y216 HydrophobicContact CD1-CE1 4.49Å; F103-Y216 HydrophobicContact CD1-CE2 4.18Å; F103-Y216 AromaticContact CD1-CZ 3.75Å; F103-Y216 VanDerWaalsContact CD1-OH 3.3Å; F103-Y216 WeakPolarHBondContact CD1-OH 3.39Å; F103-Y216 PolarHBondContact O-OH 2.78Å; W105-Y216 HydrophobicContact CB-CD2 4.02Å; W105-Y216 HydrophobicContact CB-CE2 3.98Å; W105-Y216 AromaticContact CD1-CD2 3.79Å; W105-Y216 AromaticContact CD2-CD2 3.89Å; W105-Y216 HydrophobicContact CD2-CD2 3.89Å; W105-Y216 HydrophobicContact CD2-CG 4.4Å; W105-Y216 HydrophobicContact CE3-CD2 4.46Å; W105-Y216 AromaticContact CG-CD2 3.66Å; W105-Y216 HydrophobicContact CG-CD2 3.66Å; W105-Y216 HydrophobicContact CG-CE2 4.15Å; L108-Y216 HydrophobicContact CD2-CD2 3.49Å; L108-Y216 VanDerWaalsContact CD2-CD2 3.49Å; L108-Y216 HydrophobicContact CD2-CE2 3.75Å; L108-Y216 HydrophobicContact CD2-CG 4.26Å; L141-Y216 HydrophobicContact CB-CE1 4.13Å; L141-Y216 HydrophobicContact CD1-CD2 4.47Å; L141-Y216 HydrophobicContact CD1-CE1 4.17Å; L141-Y216 HydrophobicContact CD1-CE2 3.91Å; L141-Y216 HydrophobicContact CD2-CD1 4.22Å; L141-Y216 HydrophobicContact CD2-CE1 4.16Å; L141-Y216 HydrophobicContact CG-CE1 4.38Å; Y212-Y216 PolarHBondContact O-N 2.54Å; F213-Y216 WeakPolarHBondContact O-CB 3.44Å; F213-Y216 PolarHBondContact O-N 3.41Å; Y216-R218 PolarHBondContact O-N 3.06Å; Y216-I219 PolarHBondContact O-N 2.97Å; Y216-T220 PolarHBondContact O-N 3.46Å; Y216-T220 PolarHBondContact O-OG1 3.27Å
217	W	98.7	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.4	-30	-177.2	-76.9	114.6	0	0	0	114	L141 F213 A214 E215 T220 T221 Y233 D234 L235 I271	L141-W217 HydrophobicContact CB-CH2 4.49Å; L141-W217 HydrophobicContact CB-CZ2 3.85Å; F213-W217 VanDerWaalsContact O-CD1 3.25Å; F213-W217 PolarHBondContact O-N 3.45Å; A214-W217 PolarHBondContact O-N 2.79Å; E215-W217 VanDerWaalsContact C-N 3.32Å; E215-W217 PolarHBondContact O-N 3.18Å; W217-T220 HydrophobicContact CE3-CG2 4.04Å; W217-T220 HydrophobicContact CZ3-CG2 3.9Å; W217-T220 PolarHBondContact O-N 2.92Å; W217-T221 WeakPolarHBondContact O-CB 3.17Å; W217-T221 VanDerWaalsContact O-CG2 3.26Å; W217-T221 WeakPolarHBondContact O-CG2 3.34Å; W217-T221 PolarHBondContact O-N 2.79Å; W217-T221 PolarHBondContact O-OG1 3.49Å; W217-Y233 HydrophobicContact CE3-CD1 4.35Å; W217-Y233 HydrophobicContact CE3-CG 4.25Å; W217-Y233 VanDerWaalsContact CZ3-CB 3.48Å; W217-Y233 AromaticContact CZ3-CD1 3.68Å; W217-Y233 HydrophobicContact CZ3-CD1 3.68Å; W217-Y233 AromaticContact CZ3-CG 3.75Å; W217-Y233 HydrophobicContact CZ3-CG 3.75Å; W217-D234 WeakPolarHBondContact CH2-O 3.39Å; W217-D234 VanDerWaalsContact CZ2-O 3.31Å; W217-D234 WeakPolarHBondContact CZ2-O 3.46Å; W217-L235 HydrophobicContact CD2-CD2 4.49Å; W217-L235 HydrophobicContact CZ2-CD2 4.17Å; W217-I271 HydrophobicContact CB-CD1 4.2Å; W217-I271 HydrophobicContact CB-CG1 3.8Å; W217-I271 HydrophobicContact CD2-CD1 3.97Å; W217-I271 HydrophobicContact CD2-CG1 4.45Å; W217-I271 HydrophobicContact CE3-CD1 4.16Å; W217-I271 HydrophobicContact CG-CD1 3.98Å; W217-I271 HydrophobicContact CG-CG1 4.14Å
218	R	98.7	Very high	97.8	Very high	105 Å²	105	41.9 Å²	41.9	40%	0.396	20%	0.195	S	C	.	.	H	α-helix	trans	-64.3	-45	171.5	-82	174.5	177.8	151.8	1.2	111.6	A214 E215 Y216 T220 T221 D222 V270	A214-R218 WeakPolarHBondContact O-CB 3.2Å; A214-R218 VanDerWaalsContact O-CG 3.26Å; A214-R218 WeakPolarHBondContact O-CG 3.38Å; A214-R218 PolarHBondContact O-N 3.11Å; E215-R218 PolarHBondContact O-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.06Å; R218-T220 VanDerWaalsContact C-N 3.34Å; R218-T221 PolarHBondContact O-N 3Å; R218-T221 PolarHBondContact O-OG1 2.81Å; R218-D222 WeakPolarHBondContact O-CB 3.17Å; R218-D222 PolarHBondContact O-N 3.36Å; R218-V270 HydrophobicContact CG-CG1 3.69Å
219	I	98.5	Very high	97.8	Very high	30 Å²	30	41.2 Å²	41.2	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-45.9	176.8	-63.7	162.4	0	0	0	110	L108 T115 I120 E215 Y216 T221 R223	L108-I219 HydrophobicContact CD1-CG2 3.9Å; L108-I219 HydrophobicContact CD2-CD1 4.5Å; L108-I219 HydrophobicContact CD2-CG2 4.4Å; T115-I219 HydrophobicContact CG2-CD1 4Å; T115-I219 HydrophobicContact CG2-CG2 4.21Å; I120-I219 HydrophobicContact CD1-CG2 3.58Å; I120-I219 HydrophobicContact CG1-CG2 4.48Å; E215-I219 HydrophobicContact CG-CD1 4.08Å; E215-I219 WeakPolarHBondContact O-CG1 3.47Å; E215-I219 PolarHBondContact O-N 2.76Å; Y216-I219 PolarHBondContact O-N 2.97Å; I219-T221 PolarHBondContact O-N 3.3Å; I219-R223 PolarHBondContact O-N 2.99Å
220	T	98.7	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-49.9	177.4	-53.6	0	0	0	0	112	F103 I139 Y216 W217 R218 F224 Y233	F103-T220 HydrophobicContact CD1-CG2 4.15Å; F103-T220 HydrophobicContact CE1-CG2 4.22Å; F103-T220 VanDerWaalsContact CE1-OG1 3.29Å; F103-T220 WeakPolarHBondContact CE1-OG1 3.5Å; I139-T220 HydrophobicContact CD1-CG2 3.97Å; I139-T220 HydrophobicContact CG2-CG2 4Å; Y216-T220 PolarHBondContact O-N 3.46Å; Y216-T220 PolarHBondContact O-OG1 3.27Å; W217-T220 HydrophobicContact CE3-CG2 4.04Å; W217-T220 HydrophobicContact CZ3-CG2 3.9Å; W217-T220 PolarHBondContact O-N 2.92Å; R218-T220 VanDerWaalsContact C-N 3.34Å; T220-F224 HydrophobicContact CG2-CD2 3.81Å; T220-F224 HydrophobicContact CG2-CE2 4.36Å; T220-F224 VanDerWaalsContact O-CB 3.32Å; T220-F224 WeakPolarHBondContact O-CB 3.37Å; T220-F224 WeakPolarHBondContact O-CD2 3.36Å; T220-F224 WeakPolarHBondContact O-CG 3.48Å; T220-F224 PolarHBondContact O-N 3.49Å; T220-Y233 HydrophobicContact CG2-CD1 4.25Å; T220-Y233 HydrophobicContact CG2-CE1 4.03Å
221	T	98.6	Very high	97.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-77.4	-35.2	-173.7	51.8	0	0	0	0	113.1	W217 R218 I219 R223 G225 Y233 I271 T274 D275	W217-T221 WeakPolarHBondContact O-CB 3.17Å; W217-T221 VanDerWaalsContact O-CG2 3.26Å; W217-T221 WeakPolarHBondContact O-CG2 3.34Å; W217-T221 PolarHBondContact O-N 2.79Å; W217-T221 PolarHBondContact O-OG1 3.49Å; R218-T221 PolarHBondContact O-N 3Å; R218-T221 PolarHBondContact O-OG1 2.81Å; I219-T221 PolarHBondContact O-N 3.3Å; T221-R223 VanDerWaalsContact C-N 3.32Å; T221-R223 PolarHBondContact O-N 2.85Å; T221-G225 WeakPolarHBondContact O-CA 3.01Å; T221-G225 PolarHBondContact O-N 2.86Å; T221-Y233 HydrophobicContact CG2-CD2 4.22Å; T221-Y233 HydrophobicContact CG2-CE1 4.32Å; T221-Y233 HydrophobicContact CG2-CE2 3.52Å; T221-I271 HydrophobicContact CG2-CB 4.32Å; T221-I271 HydrophobicContact CG2-CG1 4.15Å; T221-I271 HydrophobicContact CG2-CG2 3.77Å; T221-T274 WeakPolarHBondContact CB-OG1 3.36Å; T221-T274 PolarHBondContact OG1-OG1 3.39Å; T221-D275 HydrophobicContact CG2-CB 4.2Å
222	D	98.2	Very high	97.9	Very high	130 Å²	130	35.2 Å²	35.2	70%	0.695	16%	0.158	S	C	*	.	H	α-helix	trans	-60.9	-42.6	173.4	-175.1	65.1	0	0	0	111.1	R218	R218-D222 WeakPolarHBondContact O-CB 3.17Å; R218-D222 PolarHBondContact O-N 3.36Å
223	R	98.4	Very high	97.9	Very high	63 Å²	63	33.1 Å²	33.1	24%	0.238	15%	0.15	C	C	.	.	H	α-helix	trans	-76.2	-49.6	178	-173.5	67.1	77	100.7	2.3	113.2	I120 D121 E124 I219 T221	I120-R223 HydrophobicContact CG2-CB 4.08Å; I120-R223 HydrophobicContact CG2-CG 3.54Å; D121-R223 IonicContact OD1-CZ 3.34Å; D121-R223 IonicContact OD1-NH1 2.8Å; D121-R223 PolarHBondContact OD1-NH1 3.13Å; D121-R223 IonicContact OD1-NH2 3.01Å; D121-R223 PolarHBondContact OD1-NH2 2.79Å; D121-R223 VanDerWaalsContact OD1-NH2 3.09Å; E124-R223 WeakPolarHBondContact OE2-CD 3.03Å; E124-R223 IonicContact OE2-CZ 3.37Å; E124-R223 IonicContact OE2-NH1 3.39Å; E124-R223 PolarHBondContact OE2-NH1 2.82Å; I219-R223 PolarHBondContact O-N 2.99Å; T221-R223 VanDerWaalsContact C-N 3.32Å; T221-R223 PolarHBondContact O-N 2.85Å
224	F	98.4	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-104.4	-12.1	-164.3	-50.6	-52.3	0	0	0	114.4	F103 I120 I123 E124 I127 I139 T220 K226 K227 V230	F103-F224 HydrophobicContact CD1-CE2 4.36Å; F103-F224 AromaticContact CE1-CE2 3.83Å; F103-F224 HydrophobicContact CE1-CE2 3.83Å; F103-F224 HydrophobicContact CE2-CE2 4.38Å; F103-F224 AromaticContact CZ-CE2 3.83Å; F103-F224 HydrophobicContact CZ-CE2 3.83Å; F103-F224 HydrophobicContact CZ-CZ 4.28Å; I120-F224 HydrophobicContact CG2-CE1 4.27Å; I120-F224 HydrophobicContact CG2-CZ 3.88Å; I123-F224 HydrophobicContact CB-CZ 4.08Å; I123-F224 HydrophobicContact CG2-CE1 4.31Å; I123-F224 HydrophobicContact CG2-CE2 4.12Å; I123-F224 HydrophobicContact CG2-CZ 3.68Å; E124-F224 HydrophobicContact CB-CE1 3.89Å; E124-F224 HydrophobicContact CG-CE1 4.38Å; I127-F224 HydrophobicContact CD1-CB 4.44Å; I127-F224 HydrophobicContact CD1-CD1 3.62Å; I127-F224 HydrophobicContact CD1-CD2 4.3Å; I127-F224 HydrophobicContact CD1-CE1 3.85Å; I127-F224 HydrophobicContact CD1-CE2 4.49Å; I127-F224 HydrophobicContact CD1-CG 3.87Å; I127-F224 HydrophobicContact CD1-CZ 4.29Å; I139-F224 HydrophobicContact CD1-CB 3.99Å; I139-F224 HydrophobicContact CD1-CD2 3.54Å; I139-F224 HydrophobicContact CD1-CE2 4.29Å; I139-F224 HydrophobicContact CD1-CG 3.99Å; T220-F224 HydrophobicContact CG2-CD2 3.81Å; T220-F224 HydrophobicContact CG2-CE2 4.36Å; T220-F224 VanDerWaalsContact O-CB 3.32Å; T220-F224 WeakPolarHBondContact O-CB 3.37Å; T220-F224 WeakPolarHBondContact O-CD2 3.36Å; T220-F224 WeakPolarHBondContact O-CG 3.48Å; T220-F224 PolarHBondContact O-N 3.49Å; F224-K226 VanDerWaalsContact C-N 3.25Å; F224-K226 PolarHBondContact O-N 2.97Å; F224-K226 VanDerWaalsContact O-N 3.15Å; F224-K227 VanDerWaalsContact O-CB 3.28Å; F224-K227 WeakPolarHBondContact O-CB 3.17Å; F224-K227 WeakPolarHBondContact O-CG 3.43Å; F224-K227 PolarHBondContact O-N 2.96Å; F224-V230 HydrophobicContact CB-CG2 4.26Å
225	G	96	Very high	98	Very high	8 Å²	8	33 Å²	33	8%	0.082	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.4	-170.9	0	0	0	0	0	114.7	K45 T221 K227 Y233 D275	K45-G225 VanDerWaalsContact CE-O 3.28Å; K45-G225 WeakPolarHBondContact CE-O 3.27Å; K45-G225 PolarHBondContact NZ-O 3.16Å; T221-G225 WeakPolarHBondContact O-CA 3.01Å; T221-G225 PolarHBondContact O-N 2.86Å; G225-K227 VanDerWaalsContact C-N 3.34Å; G225-K227 PolarHBondContact O-N 2.91Å; G225-Y233 VanDerWaalsContact CA-OH 3.29Å; G225-Y233 WeakPolarHBondContact CA-OH 3.3Å; G225-D275 WeakPolarHBondContact CA-OD2 3.44Å
226	K	95.8	Very high	97.9	Very high	206 Å²	206	29.9 Å²	29.9	90%	0.896	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.3	177.2	-64.4	179.3	-177.1	171.2	0	114.3	F224 Y228	F224-K226 VanDerWaalsContact C-N 3.25Å; F224-K226 PolarHBondContact O-N 2.97Å; F224-K226 VanDerWaalsContact O-N 3.15Å; K226-Y228 PolarHBondContact O-N 3.41Å
227	K	96.7	Very high	97.9	Very high	37 Å²	37	29.9 Å²	29.9	16%	0.161	14%	0.135	C	C	.	.			trans	-72.4	118.7	179.9	-59.9	-78.3	-176.4	174.3	0	109.2	K45 E124 I127 D128 F224 G225 N229 V230	K45-K227 PolarHBondContact NZ-O 3.01Å; E124-K227 WeakPolarHBondContact OE1-CE 3.14Å; E124-K227 IonicContact OE1-NZ 3.61Å; E124-K227 PolarHBondContact OE1-NZ 3.05Å; I127-K227 HydrophobicContact CG2-CB 4.26Å; I127-K227 HydrophobicContact CG2-CD 4.45Å; I127-K227 HydrophobicContact CG2-CG 4.25Å; D128-K227 WeakPolarHBondContact OD1-CD 3.48Å; D128-K227 WeakPolarHBondContact OD1-CE 3.22Å; D128-K227 IonicContact OD1-NZ 3.64Å; D128-K227 PolarHBondContact OD1-NZ 3.37Å; D128-K227 IonicContact OD2-NZ 3.84Å; D128-K227 PolarHBondContact OD2-NZ 2.98Å; F224-K227 VanDerWaalsContact O-CB 3.28Å; F224-K227 WeakPolarHBondContact O-CB 3.17Å; F224-K227 WeakPolarHBondContact O-CG 3.43Å; F224-K227 PolarHBondContact O-N 2.96Å; G225-K227 VanDerWaalsContact C-N 3.34Å; G225-K227 PolarHBondContact O-N 2.91Å; K227-N229 PolarHBondContact O-N 3.24Å; K227-V230 HydrophobicContact CB-CB 4.42Å; K227-V230 HydrophobicContact CB-CG2 3.7Å; K227-V230 HydrophobicContact CG-CG2 4.44Å; K227-V230 PolarHBondContact O-N 3.32Å
228	Y	94.6	Very high	97.7	Very high	34 Å²	34	31.2 Å²	31.2	13%	0.133	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.4	-175.2	78.7	-87.5	0	0	0	113.3	L40 R43 G131 K226	L40-Y228 HydrophobicContact CD2-CD1 4.16Å; L40-Y228 HydrophobicContact CD2-CE1 3.66Å; L40-Y228 HydrophobicContact CG-CD1 4.43Å; L40-Y228 HydrophobicContact CG-CE1 3.97Å; R43-Y228 HydrophobicContact CB-CD2 4.21Å; G131-Y228 PolarHBondContact O-OH 3.2Å; K226-Y228 PolarHBondContact O-N 3.41Å
229	N	97.5	Very high	97.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.011	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0	-177.8	69.8	-52.4	0	0	0	113.4	I127 G131 V135 Y136 I137 K227 L231	I127-N229 PolarHBondContact O-ND2 3.23Å; G131-N229 WeakPolarHBondContact CA-ND2 3.29Å; G131-N229 PolarHBondContact N-ND2 3.35Å; G131-N229 VanDerWaalsContact N-ND2 3.19Å; V135-N229 PolarHBondContact O-ND2 3.37Å; Y136-N229 CarbonylContact C-O 3.5Å; Y136-N229 WeakPolarHBondContact CA-O 3.46Å; Y136-N229 WeakPolarHBondContact CD1-O 3.48Å; I137-N229 PolarHBondContact N-O 3.4Å; K227-N229 PolarHBondContact O-N 3.24Å; N229-L231 PolarHBondContact O-N 3.09Å
230	V	98.6	Very high	97.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	105.1	164.9	177.2	0	0	0	0	107.1	K45 I127 I137 I139 F224 K227 Y233 T278	K45-V230 PolarHBondContact NZ-O 2.91Å; I127-V230 HydrophobicContact CD1-CG2 4.37Å; I127-V230 HydrophobicContact CG2-CG2 3.88Å; I137-V230 CarbonylContact O-C 3.47Å; I137-V230 WeakPolarHBondContact O-CA 3.37Å; I139-V230 HydrophobicContact CD1-CG1 4.1Å; I139-V230 HydrophobicContact CD1-CG2 4.39Å; I139-V230 HydrophobicContact CG1-CG1 4.28Å; F224-V230 HydrophobicContact CB-CG2 4.26Å; K227-V230 HydrophobicContact CB-CB 4.42Å; K227-V230 HydrophobicContact CB-CG2 3.7Å; K227-V230 HydrophobicContact CG-CG2 4.44Å; K227-V230 PolarHBondContact O-N 3.32Å; V230-Y233 HydrophobicContact CG1-CD1 4.5Å; V230-Y233 HydrophobicContact CG1-CE1 3.89Å; V230-T278 HydrophobicContact CG1-CG2 3.92Å
231	L	98.7	Very high	97.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-44	-179.2	178.6	62.2	0	0	0	110.8	V46 F55 F65 V98 Y136 I137 I138 N229 L279 F281 F370	V46-L231 HydrophobicContact CB-CD1 3.77Å; V46-L231 HydrophobicContact CG1-CD1 3.87Å; V46-L231 HydrophobicContact CG2-CD1 4.08Å; F55-L231 HydrophobicContact CD1-CD1 4.47Å; F65-L231 HydrophobicContact CD1-CD2 4.41Å; F65-L231 HydrophobicContact CD2-CD2 4.17Å; F65-L231 HydrophobicContact CE1-CD2 4.27Å; F65-L231 HydrophobicContact CE2-CD1 4.1Å; F65-L231 HydrophobicContact CE2-CD2 4.01Å; F65-L231 HydrophobicContact CG-CD2 4.36Å; F65-L231 HydrophobicContact CZ-CD1 3.81Å; F65-L231 HydrophobicContact CZ-CD2 4.07Å; V98-L231 HydrophobicContact CG2-CD2 3.99Å; Y136-L231 HydrophobicContact CD1-CB 3.98Å; Y136-L231 HydrophobicContact CD1-CD1 4.36Å; Y136-L231 HydrophobicContact CG-CB 4.39Å; I137-L231 PolarHBondContact O-N 2.86Å; I138-L231 HydrophobicContact CD1-CD2 4.23Å; I138-L231 HydrophobicContact CG1-CB 4.31Å; I138-L231 HydrophobicContact CG1-CD2 3.99Å; I138-L231 HydrophobicContact CG1-CG 4.43Å; N229-L231 PolarHBondContact O-N 3.09Å; L231-L279 HydrophobicContact CD1-CD1 3.81Å; L231-L279 HydrophobicContact CG-CD1 4.26Å; L231-L279 VanDerWaalsContact O-CB 3.26Å; L231-L279 WeakPolarHBondContact O-CB 3.45Å; L231-L279 WeakPolarHBondContact O-CG 3.01Å; L231-L279 PolarHBondContact O-N 3.42Å; L231-F281 HydrophobicContact CD2-CZ 4.15Å; L231-F281 HydrophobicContact CG-CE2 4.31Å; L231-F281 HydrophobicContact CG-CZ 4.28Å; L231-F370 HydrophobicContact CD2-CE2 4.36Å
232	G	98.8	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	174.5	-174.4	0	0	0	0	0	115.6	I138 I139 L279	I138-G232 WeakPolarHBondContact CA-O 3.44Å; I139-G232 PolarHBondContact N-O 3.03Å; G232-L279 CarbonylContact C-O 3.57Å; G232-L279 WeakPolarHBondContact CA-O 3.48Å
233	Y	98.9	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.1	177.8	-58.7	-49.4	0	0	0	109.6	I139 W217 T220 T221 G225 V230 L235 I271 D275 T278 L279 I280 F281	I139-Y233 HydrophobicContact CB-CD1 4.23Å; I139-Y233 HydrophobicContact CD1-CD1 4.46Å; I139-Y233 HydrophobicContact CD1-CE1 4.14Å; I139-Y233 CarbonylContact O-C 3.58Å; W217-Y233 HydrophobicContact CE3-CD1 4.35Å; W217-Y233 HydrophobicContact CE3-CG 4.25Å; W217-Y233 VanDerWaalsContact CZ3-CB 3.48Å; W217-Y233 AromaticContact CZ3-CD1 3.68Å; W217-Y233 HydrophobicContact CZ3-CD1 3.68Å; W217-Y233 AromaticContact CZ3-CG 3.75Å; W217-Y233 HydrophobicContact CZ3-CG 3.75Å; T220-Y233 HydrophobicContact CG2-CD1 4.25Å; T220-Y233 HydrophobicContact CG2-CE1 4.03Å; T221-Y233 HydrophobicContact CG2-CD2 4.22Å; T221-Y233 HydrophobicContact CG2-CE1 4.32Å; T221-Y233 HydrophobicContact CG2-CE2 3.52Å; G225-Y233 VanDerWaalsContact CA-OH 3.29Å; G225-Y233 WeakPolarHBondContact CA-OH 3.3Å; V230-Y233 HydrophobicContact CG1-CD1 4.5Å; V230-Y233 HydrophobicContact CG1-CE1 3.89Å; Y233-L235 PolarHBondContact O-N 2.8Å; Y233-I271 HydrophobicContact CD2-CG2 3.98Å; Y233-I271 HydrophobicContact CE2-CG2 4.02Å; Y233-D275 HydrophobicContact CE2-CB 4.39Å; Y233-D275 PolarHBondContact OH-OD2 3.32Å; Y233-T278 HydrophobicContact CD1-CG2 4.45Å; Y233-T278 HydrophobicContact CD2-CG2 3.81Å; Y233-T278 HydrophobicContact CE1-CG2 4.15Å; Y233-T278 HydrophobicContact CE2-CG2 3.46Å; Y233-T278 VanDerWaalsContact CE2-CG2 3.46Å; Y233-T278 HydrophobicContact CG-CG2 4.3Å; Y233-L279 PolarHBondContact N-O 3.19Å; Y233-I280 HydrophobicContact CD2-CD1 4.19Å; Y233-F281 WeakPolarHBondContact O-CA 3.49Å; Y233-F281 WeakPolarHBondContact O-CB 2.87Å; Y233-F281 PolarHBondContact O-N 3.06Å; Y233-F281 VanDerWaalsContact O-O 3.11Å
234	D	98.7	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.7	173.2	-151.7	-9.4	0	0	0	109.5	R100 I138 I139 D140 L141 W217 I236 F281 S321	R100-D234 IonicContact CZ-OD2 3.32Å; R100-D234 IonicContact NE-OD2 2.76Å; R100-D234 PolarHBondContact NE-OD2 2.88Å; R100-D234 IonicContact NH2-OD2 3.97Å; R100-D234 PolarHBondContact NH2-OD2 3.38Å; I138-D234 HydrophobicContact CG2-CB 4.02Å; I139-D234 PolarHBondContact O-N 3.17Å; D140-D234 HydrophobicContact CB-CB 4.13Å; L141-D234 PolarHBondContact N-O 2.95Å; L141-D234 VanDerWaalsContact N-O 3.15Å; W217-D234 WeakPolarHBondContact CH2-O 3.39Å; W217-D234 VanDerWaalsContact CZ2-O 3.31Å; W217-D234 WeakPolarHBondContact CZ2-O 3.46Å; D234-I236 VanDerWaalsContact C-N 3.33Å; D234-I236 PolarHBondContact O-N 3.14Å; D234-F281 HydrophobicContact CB-CB 3.93Å; D234-S321 PolarHBondContact OD1-OG 3.28Å; D234-S321 PolarHBondContact OD2-OG 2.99Å
235	L	98.6	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.			trans	-64.8	-35.8	-160.1	-71.7	-177.6	0	0	0	113.6	W217 Y233 Y264 L267 V268 I271 I280 F281	W217-L235 HydrophobicContact CD2-CD2 4.49Å; W217-L235 HydrophobicContact CZ2-CD2 4.17Å; Y233-L235 PolarHBondContact O-N 2.8Å; L235-Y264 HydrophobicContact CB-CD1 4.13Å; L235-Y264 HydrophobicContact CB-CE1 3.95Å; L235-Y264 HydrophobicContact CD1-CD1 3.5Å; L235-Y264 HydrophobicContact CD1-CE1 4.12Å; L235-Y264 HydrophobicContact CD1-CG 3.81Å; L235-Y264 HydrophobicContact CG-CD1 4.49Å; L235-L267 HydrophobicContact CD2-CB 4.32Å; L235-L267 HydrophobicContact CD2-CD1 4.35Å; L235-V268 HydrophobicContact CD1-CG2 4.37Å; L235-I271 HydrophobicContact CD2-CD1 3.53Å; L235-I280 HydrophobicContact CD1-CG2 3.66Å; L235-I280 HydrophobicContact CD2-CG2 4.23Å; L235-I280 HydrophobicContact CG-CG2 3.85Å; L235-F281 WeakPolarHBondContact CG-O 3.49Å; L235-F281 PolarHBondContact N-O 2.89Å
236	I	97.4	Very high	96.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.015	13%	0.13	C	C	.	.			trans	-169.5	129.4	175.4	-174.2	170.5	0	0	0	108.3	Q143 F199 F213 D234 P239 F263 Y264	Q143-I236 HydrophobicContact CG-CD1 4.37Å; Q143-I236 HydrophobicContact CG-CG1 4Å; F199-I236 HydrophobicContact CE1-CD1 4.46Å; F213-I236 HydrophobicContact CE1-CD1 4.32Å; D234-I236 VanDerWaalsContact C-N 3.33Å; D234-I236 PolarHBondContact O-N 3.14Å; I236-P239 HydrophobicContact CG2-CB 4.12Å; I236-P239 HydrophobicContact CG2-CG 4.31Å; I236-F263 HydrophobicContact CG2-CE1 4.49Å; I236-Y264 HydrophobicContact CG2-CE1 3.71Å; I236-Y264 VanDerWaalsContact CG2-OH 3.29Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.4Å
237	N	97	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-67.6	135.5	175.3	-174.6	77.5	0	0	0	112.1	R100 L141 H142 Q143 H323 E373	R100-N237 PolarHBondContact NH1-OD1 2.86Å; R100-N237 PolarHBondContact NH2-OD1 3.48Å; L141-N237 PolarHBondContact O-N 3.05Å; L141-N237 VanDerWaalsContact O-N 3.07Å; H142-N237 PolarHBondContact CE1-ND2 2.96Å; H142-N237 VanDerWaalsContact CE1-ND2 3.31Å; H142-N237 PolarHBondContact CE1-OD1 3.22Å; H142-N237 PolarHBondContact ND1-OD1 3.03Å; Q143-N237 WeakPolarHBondContact CG-O 3.5Å; Q143-N237 PolarHBondContact NE2-O 3.11Å; Q143-N237 PolarHBondContact O-ND2 3.06Å; N237-H323 PolarHBondContact OD1-CE1 3.3Å; N237-E373 PolarHBondContact OD1-OE1 2.76Å; N237-E373 VanDerWaalsContact OD1-OE1 3.04Å
238	E	95.2	Very high	96.9	Very high	29 Å²	29	23.4 Å²	23.4	14%	0.136	12%	0.121	C	C	.	.	S	Bend	trans	39.4	58.4	170.1	-62.6	-158.5	162.4	0	0	116	Q143 P240 E283 T286 H323	Q143-E238 PolarHBondContact NE2-O 2.86Å; Q143-E238 VanDerWaalsContact NE2-O 3.1Å; E238-P240 WeakPolarHBondContact O-CD 3.22Å; E238-E283 WeakPolarHBondContact CA-OE2 3.27Å; E238-E283 PolarHBondContact N-OE2 2.86Å; E238-T286 HydrophobicContact CG-CG2 4.23Å; E238-H323 VanDerWaalsContact CG-CE1 3.5Å; E238-H323 WeakPolarHBondContact CG-CE1 3.5Å; E238-H323 VanDerWaalsContact CG-ND1 3.29Å; E238-H323 WeakPolarHBondContact CG-ND1 3.42Å; E238-H323 IonicContact OE1-CE1 2.67Å; E238-H323 IonicContact OE1-CG 3.7Å; E238-H323 IonicContact OE1-ND1 3.93Å; E238-H323 PolarHBondContact OE1-ND1 3.29Å
239	P	95.3	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.			trans	-64.8	127.8	-178.7	28.8	-37.3	0	0	0	112.1	Y203 I236 L260 Y264 E283 S284 V285	Y203-P239 WeakPolarHBondContact OH-CB 3.27Å; I236-P239 HydrophobicContact CG2-CB 4.12Å; I236-P239 HydrophobicContact CG2-CG 4.31Å; P239-L260 HydrophobicContact CB-CD1 4.08Å; P239-L260 HydrophobicContact CB-CD2 3.62Å; P239-L260 HydrophobicContact CG-CD1 3.86Å; P239-L260 HydrophobicContact CG-CD2 4.07Å; P239-Y264 WeakPolarHBondContact CG-OH 3.41Å; P239-E283 HydrophobicContact CG-CB 4.22Å; P239-S284 WeakPolarHBondContact CG-O 3.27Å; P239-V285 WeakPolarHBondContact O-CA 3.25Å
240	P	95.4	Very high	96.8	Very high	17 Å²	17	28.3 Å²	28.3	11%	0.11	14%	0.143	C	C	.	.			trans	-80.8	168	176.3	33.3	-36.2	0	0	0	112.3	Y190 F199 Y203 E238 G242	Y190-P240 HydrophobicContact CD1-CB 4.04Å; Y190-P240 HydrophobicContact CD1-CG 3.92Å; Y190-P240 HydrophobicContact CE1-CB 4.48Å; Y190-P240 HydrophobicContact CE1-CG 4.09Å; F199-P240 HydrophobicContact CB-CG 4Å; F199-P240 HydrophobicContact CD1-CG 3.62Å; F199-P240 HydrophobicContact CD2-CG 3.26Å; F199-P240 HydrophobicContact CE1-CG 3.78Å; F199-P240 HydrophobicContact CE2-CG 3.44Å; F199-P240 VanDerWaalsContact CE2-CG 3.44Å; F199-P240 HydrophobicContact CG-CG 3.34Å; F199-P240 HydrophobicContact CZ-CG 3.67Å; Y203-P240 WeakPolarHBondContact CE2-O 3.06Å; Y203-P240 PolarHBondContact OH-O 3.19Å; E238-P240 WeakPolarHBondContact O-CD 3.22Å; P240-G242 VanDerWaalsContact C-N 3.29Å; P240-G242 PolarHBondContact O-N 3.23Å; P240-G242 VanDerWaalsContact O-N 3.14Å
241	P	93.6	Very high	96.5	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.071	16%	0.163	C	C	.	.			trans	-67.5	-10.2	-173	24.5	-37.1	0	0	0	117.8	L250 L251 A256 V285 Y287	P241-L250 HydrophobicContact CB-CB 4.29Å; P241-L250 WeakPolarHBondContact CB-O 3.47Å; P241-L251 HydrophobicContact CG-CD2 4.2Å; P241-A256 HydrophobicContact CB-CB 3.68Å; P241-V285 HydrophobicContact CB-CG1 4.13Å; P241-Y287 WeakPolarHBondContact CG-OH 3.4Å
242	G	95.5	Very high	96.2	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	18%	0.181	C	C	.	.			trans	97.1	-156.5	-171.9	0	0	0	0	0	112.8	A196 P240 F244	A196-G242 CarbonylContact O-C 3.6Å; P240-G242 VanDerWaalsContact C-N 3.29Å; P240-G242 PolarHBondContact O-N 3.23Å; P240-G242 VanDerWaalsContact O-N 3.14Å; G242-F244 WeakPolarHBondContact O-CD1 3.28Å; G242-F244 PolarHBondContact O-N 3.36Å
243	N	97.1	Very high	95.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	18%	0.182	C	C	.	.			trans	-85.6	79.5	-169.8	-166.5	-23	0	0	0	112.4	A196 E200 Y245 L246 N247	A196-N243 HydrophobicContact CB-CB 4.41Å; A196-N243 PolarHBondContact O-N 2.9Å; E200-N243 HydrophobicContact CB-CB 3.63Å; E200-N243 HydrophobicContact CG-CB 3.81Å; E200-N243 PolarHBondContact OE2-N 3.1Å; N243-Y245 PolarHBondContact O-N 3.22Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.35Å; N243-Y245 PolarHBondContact OD1-N 3.35Å; N243-Y245 VanDerWaalsContact OD1-N 3.16Å; N243-L246 PolarHBondContact O-N 3.23Å; N243-L246 PolarHBondContact OD1-N 3.05Å; N243-N247 PolarHBondContact O-N 3.08Å; N243-N247 VanDerWaalsContact O-N 3.1Å
244	F	96.9	Very high	95.1	Very high	42 Å²	42	38.5 Å²	38.5	18%	0.184	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.6	178.5	59.8	-95.8	0	0	0	114.7	A196 G242 N247 P248 L251	A196-F244 HydrophobicContact CB-CD1 4.25Å; A196-F244 HydrophobicContact CB-CE1 3.95Å; G242-F244 WeakPolarHBondContact O-CD1 3.28Å; G242-F244 PolarHBondContact O-N 3.36Å; F244-N247 WeakPolarHBondContact CA-O 3.13Å; F244-N247 CarbonylContact O-C 3.13Å; F244-P248 WeakPolarHBondContact O-CA 3.38Å; F244-P248 VanDerWaalsContact O-N 3.11Å; F244-L251 HydrophobicContact CB-CD1 4.33Å; F244-L251 HydrophobicContact CB-CD2 3.87Å; F244-L251 HydrophobicContact CB-CG 3.74Å; F244-L251 HydrophobicContact CD1-CD2 4.04Å; F244-L251 HydrophobicContact CD2-CD2 4.39Å; F244-L251 HydrophobicContact CG-CD2 3.84Å; F244-L251 HydrophobicContact CG-CG 4.17Å
245	Y	97.5	Very high	94.7	Very high	75 Å²	75	41 Å²	41	29%	0.294	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-37.9	171.9	-66.8	-85.8	0	0	0	112	W175 P176 A191 Y193 A196 N243	W175-Y245 HydrophobicContact CH2-CD1 4.1Å; W175-Y245 AromaticContact CH2-CE1 3.96Å; W175-Y245 HydrophobicContact CH2-CE1 3.96Å; W175-Y245 AromaticContact CZ3-CD1 3.84Å; W175-Y245 HydrophobicContact CZ3-CD1 3.84Å; W175-Y245 AromaticContact CZ3-CE1 3.59Å; W175-Y245 HydrophobicContact CZ3-CE1 3.59Å; W175-Y245 HydrophobicContact CZ3-CG 4.44Å; W175-Y245 AromaticContact CZ3-CZ 4Å; P176-Y245 WeakPolarHBondContact CD-OH 3.37Å; P176-Y245 WeakPolarHBondContact CG-OH 3.32Å; A191-Y245 PolarHBondContact O-OH 3.02Å; Y193-Y245 HydrophobicContact CD2-CD1 4.24Å; Y193-Y245 AromaticContact CD2-CD2 3.56Å; Y193-Y245 HydrophobicContact CD2-CD2 3.56Å; Y193-Y245 HydrophobicContact CD2-CE2 4.3Å; Y193-Y245 AromaticContact CD2-CG 3.54Å; Y193-Y245 HydrophobicContact CD2-CG 3.54Å; Y193-Y245 HydrophobicContact CE2-CD2 4.38Å; Y193-Y245 HydrophobicContact CE2-CG 4.13Å; Y193-Y245 HydrophobicContact CG-CD2 4.15Å; A196-Y245 HydrophobicContact CB-CD2 4.3Å; A196-Y245 HydrophobicContact CB-CE2 4.44Å; N243-Y245 PolarHBondContact O-N 3.22Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.35Å; N243-Y245 PolarHBondContact OD1-N 3.35Å; N243-Y245 VanDerWaalsContact OD1-N 3.16Å
246	L	96.5	Very high	94.4	Very high	125 Å²	125	41 Å²	41	65%	0.654	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-31.4	176.6	-63.5	-178.3	0	0	0	111.8	N243	N243-L246 PolarHBondContact O-N 3.23Å; N243-L246 PolarHBondContact OD1-N 3.05Å
247	N	96.8	Very high	94.3	Very high	59 Å²	59	40.9 Å²	40.9	32%	0.316	21%	0.209	S	C	.	.			trans	-140.6	91.7	176.8	-178.8	12.6	0	0	0	111.4	N243 F244 F249 L250	N243-N247 PolarHBondContact O-N 3.08Å; N243-N247 VanDerWaalsContact O-N 3.1Å; F244-N247 WeakPolarHBondContact CA-O 3.13Å; F244-N247 CarbonylContact O-C 3.13Å; N247-F249 PolarHBondContact O-N 3.19Å; N247-F249 WeakPolarHBondContact OD1-CB 3.3Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.42Å; N247-F249 PolarHBondContact OD1-N 2.78Å; N247-L250 HydrophobicContact CB-CD1 4Å; N247-L250 HydrophobicContact CB-CG 4.15Å; N247-L250 WeakPolarHBondContact O-CB 3.45Å; N247-L250 PolarHBondContact O-N 3.28Å
248	P	96.6	Very high	94	Very high	84 Å²	84	45.2 Å²	45.2	55%	0.545	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.1	-23.1	-179.7	-27.6	35.5	0	0	0	114.6	F244 L250 L251	F244-P248 WeakPolarHBondContact O-CA 3.38Å; F244-P248 VanDerWaalsContact O-N 3.11Å; P248-L250 PolarHBondContact O-N 2.93Å; P248-L251 WeakPolarHBondContact O-CB 3.19Å; P248-L251 PolarHBondContact O-N 3.39Å; P248-L251 VanDerWaalsContact O-N 3.14Å
249	F	94.4	Very high	93.9	Very high	139 Å²	139	46 Å²	46	61%	0.61	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.4	-15.6	176.7	-63.3	-71.8	0	0	0	113.5	N247 L251 L252 I255	N247-F249 PolarHBondContact O-N 3.19Å; N247-F249 WeakPolarHBondContact OD1-CB 3.3Å; N247-F249 WeakPolarHBondContact OD1-CD2 3.42Å; N247-F249 PolarHBondContact OD1-N 2.78Å; F249-L251 PolarHBondContact O-N 3.42Å; F249-L252 HydrophobicContact CD1-CD1 4.11Å; F249-L252 WeakPolarHBondContact O-CB 3.09Å; F249-L252 PolarHBondContact O-N 3.04Å; F249-I255 HydrophobicContact CB-CG1 4.44Å
250	L	94.7	Very high	93.9	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.8	-24.2	171.9	-70.9	169.2	0	0	0	112.4	E200 P241 N247 P248 L252 I255 A256 N259	E200-L250 WeakPolarHBondContact OE2-CD1 3.39Å; P241-L250 HydrophobicContact CB-CB 4.29Å; P241-L250 WeakPolarHBondContact CB-O 3.47Å; N247-L250 HydrophobicContact CB-CD1 4Å; N247-L250 HydrophobicContact CB-CG 4.15Å; N247-L250 WeakPolarHBondContact O-CB 3.45Å; N247-L250 PolarHBondContact O-N 3.28Å; P248-L250 PolarHBondContact O-N 2.93Å; L250-L252 PolarHBondContact O-N 3.44Å; L250-I255 HydrophobicContact CD2-CG2 3.88Å; L250-A256 WeakPolarHBondContact O-CB 3.26Å; L250-N259 WeakPolarHBondContact CD2-ND2 3.1Å
251	L	93.9	Very high	94	Very high	82 Å²	82	45.8 Å²	45.8	43%	0.429	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-65.3	-14.7	172	-64.7	173.7	0	0	0	113	P241 F244 P248 F249 P253 Y287	P241-L251 HydrophobicContact CG-CD2 4.2Å; F244-L251 HydrophobicContact CB-CD1 4.33Å; F244-L251 HydrophobicContact CB-CD2 3.87Å; F244-L251 HydrophobicContact CB-CG 3.74Å; F244-L251 HydrophobicContact CD1-CD2 4.04Å; F244-L251 HydrophobicContact CD2-CD2 4.39Å; F244-L251 HydrophobicContact CG-CD2 3.84Å; F244-L251 HydrophobicContact CG-CG 4.17Å; P248-L251 WeakPolarHBondContact O-CB 3.19Å; P248-L251 PolarHBondContact O-N 3.39Å; P248-L251 VanDerWaalsContact O-N 3.14Å; F249-L251 PolarHBondContact O-N 3.42Å; L251-P253 WeakPolarHBondContact O-CD 3.46Å; L251-Y287 WeakPolarHBondContact O-CE2 3.5Å; L251-Y287 PolarHBondContact O-OH 3.47Å
252	L	92	Very high	94.1	Very high	76 Å²	76	50 Å²	50	40%	0.398	25%	0.254	S	S	.	.	S	Bend	trans	-84.7	121.4	169.9	-56.6	174.6	0	0	0	108.6	F249 L250 N254 I255 A256	F249-L252 HydrophobicContact CD1-CD1 4.11Å; F249-L252 WeakPolarHBondContact O-CB 3.09Å; F249-L252 PolarHBondContact O-N 3.04Å; L250-L252 PolarHBondContact O-N 3.44Å; L252-N254 WeakPolarHBondContact CB-OD1 3.1Å; L252-N254 PolarHBondContact O-N 2.71Å; L252-I255 PolarHBondContact O-N 3.1Å; L252-A256 PolarHBondContact O-N 3.25Å
253	P	87.5	Confident	94.2	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-28.8	-179	-30.8	37.4	0	0	0	114.4	L251 I255 A256 G257 V285 Y287 F291 G299 G301	L251-P253 WeakPolarHBondContact O-CD 3.46Å; P253-I255 PolarHBondContact O-N 3.38Å; P253-A256 PolarHBondContact O-N 3.09Å; P253-G257 WeakPolarHBondContact O-CA 3.2Å; P253-G257 PolarHBondContact O-N 2.91Å; P253-V285 HydrophobicContact CB-CG2 3.85Å; P253-V285 HydrophobicContact CG-CG2 4.04Å; P253-Y287 HydrophobicContact CG-CD2 3.92Å; P253-Y287 HydrophobicContact CG-CE2 3.65Å; P253-F291 HydrophobicContact CG-CB 4.22Å; P253-F291 HydrophobicContact CG-CD1 4.09Å; P253-F291 HydrophobicContact CG-CD2 3.83Å; P253-F291 HydrophobicContact CG-CE1 4.43Å; P253-F291 HydrophobicContact CG-CE2 4.2Å; P253-F291 HydrophobicContact CG-CG 3.77Å; P253-F291 HydrophobicContact CG-CZ 4.48Å; P253-G299 WeakPolarHBondContact CB-O 3.32Å; P253-G301 WeakPolarHBondContact O-CA 3.31Å
254	N	86.9	Confident	94.3	Very high	59 Å²	59	49.8 Å²	49.8	32%	0.316	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-26.9	178.8	72.5	-42.4	0	0	0	113.7	L252 Q258	L252-N254 WeakPolarHBondContact CB-OD1 3.1Å; L252-N254 PolarHBondContact O-N 2.71Å; N254-Q258 WeakPolarHBondContact O-CG 3.41Å; N254-Q258 PolarHBondContact O-NE2 3.37Å
255	I	90	Very high	94.4	Very high	53 Å²	53	48.3 Å²	48.3	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-93	-48.7	176.5	-52.6	-55.1	0	0	0	110.2	F249 L250 L252 P253 G257 Q258	F249-I255 HydrophobicContact CB-CG1 4.44Å; L250-I255 HydrophobicContact CD2-CG2 3.88Å; L252-I255 PolarHBondContact O-N 3.1Å; P253-I255 PolarHBondContact O-N 3.38Å; I255-G257 VanDerWaalsContact C-N 3.32Å; I255-G257 PolarHBondContact O-N 3.46Å; I255-Q258 PolarHBondContact O-N 2.94Å
256	A	93.4	Very high	94.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-40.5	179.6	0	0	0	0	0	112.9	P241 L250 L252 P253 Q258 N259 L260 V285	P241-A256 HydrophobicContact CB-CB 3.68Å; L250-A256 WeakPolarHBondContact O-CB 3.26Å; L252-A256 PolarHBondContact O-N 3.25Å; P253-A256 PolarHBondContact O-N 3.09Å; A256-Q258 VanDerWaalsContact C-N 3.26Å; A256-Q258 PolarHBondContact O-N 3.49Å; A256-N259 PolarHBondContact O-N 2.04Å; A256-L260 PolarHBondContact O-N 2.83Å; A256-L260 VanDerWaalsContact O-N 3.08Å; A256-V285 HydrophobicContact CB-CG1 3.64Å
257	G	93.3	Very high	94.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-31.5	178.1	0	0	0	0	0	113.8	P253 I255 L261 T300	P253-G257 WeakPolarHBondContact O-CA 3.2Å; P253-G257 PolarHBondContact O-N 2.91Å; I255-G257 VanDerWaalsContact C-N 3.32Å; I255-G257 PolarHBondContact O-N 3.46Å; G257-L261 VanDerWaalsContact O-CB 3.3Å; G257-L261 WeakPolarHBondContact O-CB 3.49Å; G257-L261 PolarHBondContact O-N 3.14Å; G257-T300 WeakPolarHBondContact CA-O 3.43Å
258	Q	91.2	Very high	94.6	Very high	90 Å²	90	38.9 Å²	38.9	42%	0.421	20%	0.198	S	C	.	.	H	α-helix	trans	-68.8	-41.2	176.1	-68.2	177.8	26.9	0	0	111.8	N254 I255 A256 L261 L262	N254-Q258 WeakPolarHBondContact O-CG 3.41Å; N254-Q258 PolarHBondContact O-NE2 3.37Å; I255-Q258 PolarHBondContact O-N 2.94Å; A256-Q258 VanDerWaalsContact C-N 3.26Å; A256-Q258 PolarHBondContact O-N 3.49Å; Q258-L261 PolarHBondContact O-N 2.9Å; Q258-L262 PolarHBondContact O-N 3.14Å
259	N	92.6	Very high	94.7	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.241	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-43.3	176.1	-72	-14.3	0	0	0	111.2	L250 A256 F263	L250-N259 WeakPolarHBondContact CD2-ND2 3.1Å; A256-N259 PolarHBondContact O-N 2.04Å; N259-F263 PolarHBondContact O-N 2.97Å
260	L	96.4	Very high	94.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-43.7	175.2	-75.4	172.6	0	0	0	112.2	Y203 P239 A256 L262 F263 Y264 V285 M302	Y203-L260 HydrophobicContact CD1-CD2 4Å; Y203-L260 HydrophobicContact CE1-CD2 3.36Å; Y203-L260 HydrophobicContact CE1-CG 4.45Å; Y203-L260 HydrophobicContact CE2-CD2 4.33Å; P239-L260 HydrophobicContact CB-CD1 4.08Å; P239-L260 HydrophobicContact CB-CD2 3.62Å; P239-L260 HydrophobicContact CG-CD1 3.86Å; P239-L260 HydrophobicContact CG-CD2 4.07Å; A256-L260 PolarHBondContact O-N 2.83Å; A256-L260 VanDerWaalsContact O-N 3.08Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-L262 PolarHBondContact O-N 3.06Å; L260-F263 WeakPolarHBondContact O-CB 3.48Å; L260-F263 PolarHBondContact O-N 2.92Å; L260-F263 VanDerWaalsContact O-N 3.16Å; L260-Y264 HydrophobicContact CB-CD2 4.45Å; L260-Y264 HydrophobicContact CB-CE2 4.07Å; L260-Y264 WeakPolarHBondContact O-CD2 3.38Å; L260-Y264 VanDerWaalsContact O-CG 3.26Å; L260-Y264 PolarHBondContact O-N 3.11Å; L260-V285 HydrophobicContact CD1-CG1 3.91Å; L260-M302 HydrophobicContact CB-CE 3.48Å; L260-M302 VanDerWaalsContact CB-CE 3.48Å; L260-M302 HydrophobicContact CD1-CE 4.08Å; L260-M302 HydrophobicContact CG-CE 4.43Å
261	L	96.8	Very high	95.1	Very high	13 Å²	13	31.1 Å²	31.1	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-39.2	-178.5	-175.7	58.3	0	0	0	112.6	G257 Q258 Y264 D265 M302 R304 P306	G257-L261 VanDerWaalsContact O-CB 3.3Å; G257-L261 WeakPolarHBondContact O-CB 3.49Å; G257-L261 PolarHBondContact O-N 3.14Å; Q258-L261 PolarHBondContact O-N 2.9Å; L261-Y264 PolarHBondContact O-N 3.38Å; L261-D265 VanDerWaalsContact O-CG 3.27Å; L261-D265 PolarHBondContact O-N 3.4Å; L261-M302 HydrophobicContact CB-CG 4.28Å; L261-M302 HydrophobicContact CD2-CB 4.46Å; L261-R304 HydrophobicContact CD2-CG 3.86Å; L261-P306 HydrophobicContact CD1-CB 4.34Å; L261-P306 HydrophobicContact CD1-CG 3.98Å
262	L	96.5	Very high	95.3	Very high	100 Å²	100	28.4 Å²	28.4	52%	0.524	14%	0.142	S	C	.	.	H	α-helix	trans	-64.4	-41.8	175.5	-69.3	175.1	0	0	0	112.2	W210 Q258 L260 D265 Y266	W210-L262 HydrophobicContact CH2-CB 4.28Å; Q258-L262 PolarHBondContact O-N 3.14Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-L262 PolarHBondContact O-N 3.06Å; L262-D265 PolarHBondContact O-N 3.14Å; L262-Y266 PolarHBondContact O-N 2.65Å
263	F	97.9	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-45.5	174.5	169.3	-128.8	0	0	0	111.2	I202 Y203 W210 F213 I236 N259 L260 Y266 L267	I202-F263 HydrophobicContact CG2-CE1 4.49Å; I202-F263 HydrophobicContact CG2-CE2 4.41Å; I202-F263 HydrophobicContact CG2-CZ 4.22Å; Y203-F263 HydrophobicContact CD1-CD1 4.47Å; W210-F263 AromaticContact CD1-CD2 3.51Å; W210-F263 AromaticContact CD1-CE2 3.78Å; W210-F263 HydrophobicContact CD2-CD2 4.12Å; W210-F263 AromaticContact CE2-CD2 3.7Å; W210-F263 HydrophobicContact CG-CD2 4.01Å; W210-F263 HydrophobicContact CG-CE2 4.32Å; W210-F263 HydrophobicContact CZ2-CB 3.84Å; W210-F263 HydrophobicContact CZ2-CD2 4.36Å; W210-F263 AromaticContact NE1-CD2 3.32Å; W210-F263 VanDerWaalsContact NE1-CD2 3.32Å; F213-F263 HydrophobicContact CB-CE2 4.22Å; F213-F263 HydrophobicContact CB-CZ 4.34Å; F213-F263 HydrophobicContact CD1-CE2 4.37Å; F213-F263 AromaticContact CD1-CZ 3.69Å; F213-F263 HydrophobicContact CD1-CZ 3.69Å; F213-F263 HydrophobicContact CD2-CE2 4.11Å; F213-F263 HydrophobicContact CD2-CZ 4.03Å; F213-F263 AromaticContact CE1-CZ 3.83Å; F213-F263 HydrophobicContact CE1-CZ 3.83Å; F213-F263 HydrophobicContact CE2-CZ 4.17Å; F213-F263 HydrophobicContact CG-CE2 4.01Å; F213-F263 AromaticContact CG-CZ 3.78Å; F213-F263 HydrophobicContact CG-CZ 3.78Å; F213-F263 HydrophobicContact CZ-CZ 4.08Å; I236-F263 HydrophobicContact CG2-CE1 4.49Å; N259-F263 PolarHBondContact O-N 2.97Å; L260-F263 WeakPolarHBondContact O-CB 3.48Å; L260-F263 PolarHBondContact O-N 2.92Å; L260-F263 VanDerWaalsContact O-N 3.16Å; F263-Y266 WeakPolarHBondContact O-CB 3.44Å; F263-Y266 PolarHBondContact O-N 3.08Å; F263-L267 HydrophobicContact CD2-CD1 4.32Å; F263-L267 HydrophobicContact CD2-CG 4.17Å; F263-L267 HydrophobicContact CE1-CD1 3.93Å; F263-L267 HydrophobicContact CE2-CD1 3.68Å; F263-L267 HydrophobicContact CE2-CD2 3.94Å; F263-L267 HydrophobicContact CE2-CG 3.79Å; F263-L267 HydrophobicContact CZ-CD1 3.48Å; F263-L267 VanDerWaalsContact CZ-CD1 3.48Å; F263-L267 HydrophobicContact CZ-CD2 4.46Å; F263-L267 HydrophobicContact CZ-CG 4.13Å; F263-L267 PolarHBondContact O-N 2.96Å; F263-L267 VanDerWaalsContact O-N 3.08Å
264	Y	98.6	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-39.1	177.6	-62.7	-28.5	0	0	0	113.4	L235 I236 P239 L260 L261 Y266 L267 V268 E283 M302 P306	L235-Y264 HydrophobicContact CB-CD1 4.13Å; L235-Y264 HydrophobicContact CB-CE1 3.95Å; L235-Y264 HydrophobicContact CD1-CD1 3.5Å; L235-Y264 HydrophobicContact CD1-CE1 4.12Å; L235-Y264 HydrophobicContact CD1-CG 3.81Å; L235-Y264 HydrophobicContact CG-CD1 4.49Å; I236-Y264 HydrophobicContact CG2-CE1 3.71Å; I236-Y264 VanDerWaalsContact CG2-OH 3.29Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.4Å; P239-Y264 WeakPolarHBondContact CG-OH 3.41Å; L260-Y264 HydrophobicContact CB-CD2 4.45Å; L260-Y264 HydrophobicContact CB-CE2 4.07Å; L260-Y264 WeakPolarHBondContact O-CD2 3.38Å; L260-Y264 VanDerWaalsContact O-CG 3.26Å; L260-Y264 PolarHBondContact O-N 3.11Å; L261-Y264 PolarHBondContact O-N 3.38Å; Y264-Y266 PolarHBondContact O-N 3.48Å; Y264-L267 PolarHBondContact O-N 3.15Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; Y264-V268 WeakPolarHBondContact O-CB 3.24Å; Y264-V268 WeakPolarHBondContact O-CG2 3.12Å; Y264-V268 PolarHBondContact O-N 2.67Å; Y264-E283 VanDerWaalsContact CE2-O 3.26Å; Y264-E283 WeakPolarHBondContact CE2-O 3.12Å; Y264-E283 PolarHBondContact OH-O 3.5Å; Y264-E283 VanDerWaalsContact OH-O 3.1Å; Y264-M302 HydrophobicContact CD2-CE 4.13Å; Y264-M302 HydrophobicContact CE2-CE 3.8Å; Y264-P306 HydrophobicContact CD2-CG 4.09Å; Y264-P306 HydrophobicContact CG-CG 4.3Å
265	D	98.5	Very high	96.5	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-43.7	173.8	-75	-28.7	0	0	0	111.3	L261 L262 N269 R304 P306 G307	L261-D265 VanDerWaalsContact O-CG 3.27Å; L261-D265 PolarHBondContact O-N 3.4Å; L262-D265 PolarHBondContact O-N 3.14Å; D265-N269 WeakPolarHBondContact O-CB 3.43Å; D265-N269 VanDerWaalsContact O-CG 3.24Å; D265-N269 PolarHBondContact O-N 3.06Å; D265-N269 PolarHBondContact O-ND2 2.68Å; D265-R304 VanDerWaalsContact CG-NH1 3.26Å; D265-R304 IonicContact OD1-CZ 3.24Å; D265-R304 IonicContact OD1-NH1 3.9Å; D265-R304 PolarHBondContact OD1-NH1 3.15Å; D265-R304 IonicContact OD1-NH2 2.64Å; D265-R304 IonicContact OD2-CZ 3.05Å; D265-R304 VanDerWaalsContact OD2-CZ 3.24Å; D265-R304 IonicContact OD2-NH1 2.74Å; D265-R304 PolarHBondContact OD2-NH1 3.28Å; D265-R304 IonicContact OD2-NH2 3.75Å; D265-R304 PolarHBondContact OD2-NH2 2.99Å; D265-P306 WeakPolarHBondContact OD1-CA 3.27Å; D265-G307 PolarHBondContact OD1-N 3.01Å
266	Y	98.4	Very high	96.8	Very high	57 Å²	57	34.5 Å²	34.5	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-47.4	176.8	173.5	-88.6	0	0	0	111.5	W210 N211 A214 L262 F263 Y264 N269 V270	W210-Y266 HydrophobicContact CB-CD1 3.75Å; W210-Y266 HydrophobicContact CB-CE1 3.51Å; W210-Y266 HydrophobicContact CB-CG 4.46Å; W210-Y266 HydrophobicContact CD2-CD1 4.11Å; W210-Y266 HydrophobicContact CD2-CG 4.13Å; W210-Y266 VanDerWaalsContact CE3-CB 3.49Å; W210-Y266 AromaticContact CE3-CD1 3.76Å; W210-Y266 HydrophobicContact CE3-CD1 3.76Å; W210-Y266 AromaticContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CD2 3.66Å; W210-Y266 HydrophobicContact CE3-CE1 4.42Å; W210-Y266 HydrophobicContact CE3-CE2 4.32Å; W210-Y266 AromaticContact CE3-CG 3.33Å; W210-Y266 HydrophobicContact CE3-CG 3.33Å; W210-Y266 HydrophobicContact CG-CD1 4.18Å; W210-Y266 HydrophobicContact CG-CE1 4.41Å; W210-Y266 HydrophobicContact CZ3-CD2 4.15Å; W210-Y266 AromaticContact CZ3-CG 3.87Å; W210-Y266 HydrophobicContact CZ3-CG 3.87Å; W210-Y266 WeakPolarHBondContact O-CE1 3.3Å; N211-Y266 PolarHBondContact OD1-OH 2.89Å; A214-Y266 HydrophobicContact CB-CE1 3.86Å; L262-Y266 PolarHBondContact O-N 2.65Å; F263-Y266 WeakPolarHBondContact O-CB 3.44Å; F263-Y266 PolarHBondContact O-N 3.08Å; Y264-Y266 PolarHBondContact O-N 3.48Å; Y266-N269 PolarHBondContact O-N 3.15Å; Y266-V270 HydrophobicContact CD1-CG2 4.44Å; Y266-V270 HydrophobicContact CE1-CG2 3.96Å; Y266-V270 WeakPolarHBondContact O-CG2 3.35Å; Y266-V270 PolarHBondContact O-N 2.84Å
267	L	98.7	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-42.7	178.7	-64.7	-172.6	0	0	0	112.6	F213 L235 F263 Y264 N269 V270 I271	F213-L267 HydrophobicContact CB-CD2 3.61Å; L235-L267 HydrophobicContact CD2-CB 4.32Å; L235-L267 HydrophobicContact CD2-CD1 4.35Å; F263-L267 HydrophobicContact CD2-CD1 4.32Å; F263-L267 HydrophobicContact CD2-CG 4.17Å; F263-L267 HydrophobicContact CE1-CD1 3.93Å; F263-L267 HydrophobicContact CE2-CD1 3.68Å; F263-L267 HydrophobicContact CE2-CD2 3.94Å; F263-L267 HydrophobicContact CE2-CG 3.79Å; F263-L267 HydrophobicContact CZ-CD1 3.48Å; F263-L267 VanDerWaalsContact CZ-CD1 3.48Å; F263-L267 HydrophobicContact CZ-CD2 4.46Å; F263-L267 HydrophobicContact CZ-CG 4.13Å; F263-L267 PolarHBondContact O-N 2.96Å; F263-L267 VanDerWaalsContact O-N 3.08Å; Y264-L267 PolarHBondContact O-N 3.15Å; Y264-L267 VanDerWaalsContact O-N 3.16Å; L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 PolarHBondContact O-N 2.83Å; L267-V270 WeakPolarHBondContact O-CB 3.45Å; L267-V270 PolarHBondContact O-N 3.28Å; L267-V270 VanDerWaalsContact O-N 3.15Å; L267-I271 WeakPolarHBondContact O-CB 3.4Å; L267-I271 WeakPolarHBondContact O-CG1 3.45Å; L267-I271 PolarHBondContact O-N 2.99Å
268	V	98.8	Very high	97.2	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-43.5	176.3	172.7	0	0	0	0	110.6	L235 Y264 V270 I271 R272 I280 P306	L235-V268 HydrophobicContact CD1-CG2 4.37Å; Y264-V268 WeakPolarHBondContact O-CB 3.24Å; Y264-V268 WeakPolarHBondContact O-CG2 3.12Å; Y264-V268 PolarHBondContact O-N 2.67Å; V268-V270 VanDerWaalsContact C-N 3.26Å; V268-V270 PolarHBondContact O-N 3.18Å; V268-I271 PolarHBondContact O-N 3.42Å; V268-R272 HydrophobicContact CG1-CG 3.91Å; V268-R272 VanDerWaalsContact O-CB 3.3Å; V268-R272 WeakPolarHBondContact O-CB 3.18Å; V268-R272 WeakPolarHBondContact O-CG 3.15Å; V268-R272 PolarHBondContact O-N 3.09Å; V268-I280 HydrophobicContact CG1-CG1 4.41Å; V268-I280 HydrophobicContact CG2-CB 4.3Å; V268-I280 HydrophobicContact CG2-CD1 4.2Å; V268-I280 HydrophobicContact CG2-CG1 3.85Å; V268-I280 HydrophobicContact CG2-CG2 3.71Å; V268-P306 HydrophobicContact CG2-CB 3.78Å
269	N	98.4	Very high	97.6	Very high	55 Å²	55	34 Å²	34	29%	0.294	17%	0.169	S	C	.	.	H	α-helix	trans	-61.2	-35.3	176.2	-76.3	-46.2	0	0	0	112.7	D265 Y266 L267 Q273 Q310	D265-N269 WeakPolarHBondContact O-CB 3.43Å; D265-N269 VanDerWaalsContact O-CG 3.24Å; D265-N269 PolarHBondContact O-N 3.06Å; D265-N269 PolarHBondContact O-ND2 2.68Å; Y266-N269 PolarHBondContact O-N 3.15Å; L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 PolarHBondContact O-N 2.83Å; N269-Q273 WeakPolarHBondContact O-CG 3.44Å; N269-Q310 VanDerWaalsContact ND2-CD 3.3Å; N269-Q310 PolarHBondContact ND2-OE1 2.94Å; N269-Q310 WeakPolarHBondContact OD1-CB 3.33Å; N269-Q310 VanDerWaalsContact OD1-CG 3.32Å; N269-Q310 WeakPolarHBondContact OD1-CG 3.5Å; N269-Q310 PolarHBondContact OD1-OE1 3.19Å
270	V	98.4	Very high	97.9	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-51.6	173.4	169.9	0	0	0	0	111.3	A214 R218 Y266 L267 V268 R272 Q273	A214-V270 HydrophobicContact CB-CB 4.28Å; A214-V270 HydrophobicContact CB-CG1 3.8Å; A214-V270 HydrophobicContact CB-CG2 3.78Å; R218-V270 HydrophobicContact CG-CG1 3.69Å; Y266-V270 HydrophobicContact CD1-CG2 4.44Å; Y266-V270 HydrophobicContact CE1-CG2 3.96Å; Y266-V270 WeakPolarHBondContact O-CG2 3.35Å; Y266-V270 PolarHBondContact O-N 2.84Å; L267-V270 WeakPolarHBondContact O-CB 3.45Å; L267-V270 PolarHBondContact O-N 3.28Å; L267-V270 VanDerWaalsContact O-N 3.15Å; V268-V270 VanDerWaalsContact C-N 3.26Å; V268-V270 PolarHBondContact O-N 3.18Å; V270-R272 VanDerWaalsContact C-N 3.26Å; V270-R272 PolarHBondContact O-N 3.32Å; V270-Q273 VanDerWaalsContact O-CB 3.27Å; V270-Q273 WeakPolarHBondContact O-CB 3.37Å; V270-Q273 PolarHBondContact O-N 2.96Å
271	I	98.8	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.6	-43.4	-180	-73.2	164.9	0	0	0	110.5	W217 T221 Y233 L235 L267 V268 Q273 T274 D275 I280	W217-I271 HydrophobicContact CB-CD1 4.2Å; W217-I271 HydrophobicContact CB-CG1 3.8Å; W217-I271 HydrophobicContact CD2-CD1 3.97Å; W217-I271 HydrophobicContact CD2-CG1 4.45Å; W217-I271 HydrophobicContact CE3-CD1 4.16Å; W217-I271 HydrophobicContact CG-CD1 3.98Å; W217-I271 HydrophobicContact CG-CG1 4.14Å; T221-I271 HydrophobicContact CG2-CB 4.32Å; T221-I271 HydrophobicContact CG2-CG1 4.15Å; T221-I271 HydrophobicContact CG2-CG2 3.77Å; Y233-I271 HydrophobicContact CD2-CG2 3.98Å; Y233-I271 HydrophobicContact CE2-CG2 4.02Å; L235-I271 HydrophobicContact CD2-CD1 3.53Å; L267-I271 WeakPolarHBondContact O-CB 3.4Å; L267-I271 WeakPolarHBondContact O-CG1 3.45Å; L267-I271 PolarHBondContact O-N 2.99Å; V268-I271 PolarHBondContact O-N 3.42Å; I271-Q273 PolarHBondContact O-N 3.08Å; I271-T274 PolarHBondContact O-N 3.31Å; I271-T274 VanDerWaalsContact O-N 3.08Å; I271-T274 PolarHBondContact O-OG1 3.02Å; I271-T274 VanDerWaalsContact O-OG1 3.14Å; I271-D275 PolarHBondContact O-N 2.8Å; I271-I280 HydrophobicContact CB-CD1 4.4Å; I271-I280 HydrophobicContact CD1-CD1 3.8Å; I271-I280 HydrophobicContact CG2-CD1 3.86Å
272	R	98.3	Very high	98.1	Very high	26 Å²	26	31.4 Å²	31.4	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-5.9	179.8	-64.8	-71.4	172.6	-119.3	5.5	113.4	V268 V270 D275 K276 T278	V268-R272 HydrophobicContact CG1-CG 3.91Å; V268-R272 VanDerWaalsContact O-CB 3.3Å; V268-R272 WeakPolarHBondContact O-CB 3.18Å; V268-R272 WeakPolarHBondContact O-CG 3.15Å; V268-R272 PolarHBondContact O-N 3.09Å; V270-R272 VanDerWaalsContact C-N 3.26Å; V270-R272 PolarHBondContact O-N 3.32Å; R272-D275 WeakPolarHBondContact CA-O 3.22Å; R272-D275 WeakPolarHBondContact CD-O 3.37Å; R272-D275 PolarHBondContact NH1-O 3.16Å; R272-K276 VanDerWaalsContact O-CD 3.22Å; R272-K276 WeakPolarHBondContact O-CD 3.41Å; R272-K276 WeakPolarHBondContact O-CE 3.18Å; R272-K276 PolarHBondContact O-NZ 3.25Å; R272-T278 VanDerWaalsContact CZ-O 3.31Å; R272-T278 PolarHBondContact NH1-O 2.84Å; R272-T278 PolarHBondContact NH2-O 3.41Å
273	Q	97.5	Very high	98.1	Very high	118 Å²	118	26.8 Å²	26.8	55%	0.551	13%	0.13	S	C	*	.	H	α-helix	trans	-74	-31.2	170.1	-68	166.6	5.6	0	0	112.1	N269 V270 I271	N269-Q273 WeakPolarHBondContact O-CG 3.44Å; V270-Q273 VanDerWaalsContact O-CB 3.27Å; V270-Q273 WeakPolarHBondContact O-CB 3.37Å; V270-Q273 PolarHBondContact O-N 2.96Å; I271-Q273 PolarHBondContact O-N 3.08Å
274	T	97.2	Very high	98.1	Very high	66 Å²	66	27 Å²	27	41%	0.405	13%	0.132	S	C	.	.	H	α-helix	trans	-114.8	-30.1	-172.8	41.2	0	0	0	0	112.8	T221 I271	T221-T274 WeakPolarHBondContact CB-OG1 3.36Å; T221-T274 PolarHBondContact OG1-OG1 3.39Å; I271-T274 PolarHBondContact O-N 3.31Å; I271-T274 VanDerWaalsContact O-N 3.08Å; I271-T274 PolarHBondContact O-OG1 3.02Å; I271-T274 VanDerWaalsContact O-OG1 3.14Å
275	D	97.9	Very high	97.9	Very high	10 Å²	10	27 Å²	27	5%	0.053	13%	0.132	C	C	.	.			trans	-133.9	112.4	176.4	-173.3	-22.9	0	0	0	111.6	T221 G225 Y233 I271 R272 D277 T278	T221-D275 HydrophobicContact CG2-CB 4.2Å; G225-D275 WeakPolarHBondContact CA-OD2 3.44Å; Y233-D275 HydrophobicContact CE2-CB 4.39Å; Y233-D275 PolarHBondContact OH-OD2 3.32Å; I271-D275 PolarHBondContact O-N 2.8Å; R272-D275 WeakPolarHBondContact CA-O 3.22Å; R272-D275 WeakPolarHBondContact CD-O 3.37Å; R272-D275 PolarHBondContact NH1-O 3.16Å; D275-D277 PolarHBondContact OD1-N 2.92Å; D275-T278 PolarHBondContact OD1-N 2.84Å; D275-T278 PolarHBondContact OD1-OG1 3.08Å; D275-T278 WeakPolarHBondContact OD2-CB 3.35Å; D275-T278 PolarHBondContact OD2-OG1 3.26Å
276	K	96.1	Very high	97.6	Very high	125 Å²	125	28.6 Å²	28.6	54%	0.543	14%	0.142	S	C	.	.	S	Bend	trans	-81.8	-19.1	-176.1	-62.9	-64.5	-179.5	-176.4	0	114.2	R272 K317	R272-K276 VanDerWaalsContact O-CD 3.22Å; R272-K276 WeakPolarHBondContact O-CD 3.41Å; R272-K276 WeakPolarHBondContact O-CE 3.18Å; R272-K276 PolarHBondContact O-NZ 3.25Å; K276-K317 PolarHBondContact O-NZ 2.93Å
277	D	96.3	Very high	97.3	Very high	79 Å²	79	29.5 Å²	29.5	42%	0.422	15%	0.145	S	C	.	.	S	Bend	trans	-129.9	-30.2	-156.6	-61.6	-47.2	0	0	0	114.7	K45 D275 L279 K317	K45-D277 HydrophobicContact CB-CB 4.28Å; K45-D277 HydrophobicContact CG-CB 3.95Å; D275-D277 PolarHBondContact OD1-N 2.92Å; D277-L279 PolarHBondContact O-N 2.8Å; D277-K317 IonicContact OD1-NZ 3.94Å; D277-K317 PolarHBondContact OD1-NZ 2.79Å
278	T	98.4	Very high	97.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.145	C	C	.	.	S	Bend	trans	-58.8	139.6	177.2	-60.2	0	0	0	0	111	K45 V230 Y233 R272 D275	K45-T278 WeakPolarHBondContact CE-OG1 3.43Å; K45-T278 PolarHBondContact NZ-OG1 2.91Å; V230-T278 HydrophobicContact CG1-CG2 3.92Å; Y233-T278 HydrophobicContact CD1-CG2 4.45Å; Y233-T278 HydrophobicContact CD2-CG2 3.81Å; Y233-T278 HydrophobicContact CE1-CG2 4.15Å; Y233-T278 HydrophobicContact CE2-CG2 3.46Å; Y233-T278 VanDerWaalsContact CE2-CG2 3.46Å; Y233-T278 HydrophobicContact CG-CG2 4.3Å; R272-T278 VanDerWaalsContact CZ-O 3.31Å; R272-T278 PolarHBondContact NH1-O 2.84Å; R272-T278 PolarHBondContact NH2-O 3.41Å; D275-T278 PolarHBondContact OD1-N 2.84Å; D275-T278 PolarHBondContact OD1-OG1 3.08Å; D275-T278 WeakPolarHBondContact OD2-CB 3.35Å; D275-T278 PolarHBondContact OD2-OG1 3.26Å
279	L	98.8	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	146.9	-175.2	-57.4	176.6	0	0	0	111.7	V46 I48 F55 L231 G232 Y233 D277 F281 K317 V319	V46-L279 HydrophobicContact CG1-CD1 4.33Å; I48-L279 HydrophobicContact CD1-CD1 4.17Å; I48-L279 HydrophobicContact CD1-CD2 4.41Å; I48-L279 HydrophobicContact CG1-CD2 4.08Å; F55-L279 HydrophobicContact CD1-CD1 3.78Å; F55-L279 HydrophobicContact CE1-CD1 3.71Å; L231-L279 HydrophobicContact CD1-CD1 3.81Å; L231-L279 HydrophobicContact CG-CD1 4.26Å; L231-L279 VanDerWaalsContact O-CB 3.26Å; L231-L279 WeakPolarHBondContact O-CB 3.45Å; L231-L279 WeakPolarHBondContact O-CG 3.01Å; L231-L279 PolarHBondContact O-N 3.42Å; G232-L279 CarbonylContact C-O 3.57Å; G232-L279 WeakPolarHBondContact CA-O 3.48Å; Y233-L279 PolarHBondContact N-O 3.19Å; D277-L279 PolarHBondContact O-N 2.8Å; L279-F281 HydrophobicContact CB-CD2 4.25Å; L279-F281 HydrophobicContact CB-CE2 3.91Å; L279-F281 HydrophobicContact CD1-CE2 4.25Å; L279-K317 CarbonylContact C-O 3.48Å; L279-K317 WeakPolarHBondContact CA-O 3.49Å; L279-V319 HydrophobicContact CB-CG2 4.29Å; L279-V319 HydrophobicContact CD1-CG2 4.03Å
280	I	98.9	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.5	170.5	-58.1	-61.9	0	0	0	108.4	Y233 L235 V268 I271 K317 S318 V319	Y233-I280 HydrophobicContact CD2-CD1 4.19Å; L235-I280 HydrophobicContact CD1-CG2 3.66Å; L235-I280 HydrophobicContact CD2-CG2 4.23Å; L235-I280 HydrophobicContact CG-CG2 3.85Å; V268-I280 HydrophobicContact CG1-CG1 4.41Å; V268-I280 HydrophobicContact CG2-CB 4.3Å; V268-I280 HydrophobicContact CG2-CD1 4.2Å; V268-I280 HydrophobicContact CG2-CG1 3.85Å; V268-I280 HydrophobicContact CG2-CG2 3.71Å; I271-I280 HydrophobicContact CB-CD1 4.4Å; I271-I280 HydrophobicContact CD1-CD1 3.8Å; I271-I280 HydrophobicContact CG2-CD1 3.86Å; I280-K317 PolarHBondContact N-O 3.28Å; I280-S318 CarbonylContact O-C 3.47Å; I280-S318 VanDerWaalsContact O-CA 3.3Å; I280-S318 WeakPolarHBondContact O-CA 3.44Å; I280-V319 PolarHBondContact O-N 3.02Å
281	F	98.9	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.2	169.1	-76.2	-115.4	0	0	0	107.5	F55 I138 L231 Y233 D234 L235 L279 V319 F370 T372	F55-F281 HydrophobicContact CE1-CZ 4.16Å; F55-F281 HydrophobicContact CZ-CZ 4.39Å; I138-F281 HydrophobicContact CD1-CD1 4.34Å; I138-F281 HydrophobicContact CD1-CE1 3.63Å; I138-F281 HydrophobicContact CD1-CZ 3.76Å; I138-F281 HydrophobicContact CG1-CE1 4.26Å; I138-F281 HydrophobicContact CG1-CE2 4.32Å; I138-F281 HydrophobicContact CG1-CZ 3.99Å; I138-F281 HydrophobicContact CG2-CD1 4.39Å; I138-F281 HydrophobicContact CG2-CD2 4.41Å; I138-F281 HydrophobicContact CG2-CG 4.29Å; L231-F281 HydrophobicContact CD2-CZ 4.15Å; L231-F281 HydrophobicContact CG-CE2 4.31Å; L231-F281 HydrophobicContact CG-CZ 4.28Å; Y233-F281 WeakPolarHBondContact O-CA 3.49Å; Y233-F281 WeakPolarHBondContact O-CB 2.87Å; Y233-F281 PolarHBondContact O-N 3.06Å; Y233-F281 VanDerWaalsContact O-O 3.11Å; D234-F281 HydrophobicContact CB-CB 3.93Å; L235-F281 WeakPolarHBondContact CG-O 3.49Å; L235-F281 PolarHBondContact N-O 2.89Å; L279-F281 HydrophobicContact CB-CD2 4.25Å; L279-F281 HydrophobicContact CB-CE2 3.91Å; L279-F281 HydrophobicContact CD1-CE2 4.25Å; F281-V319 WeakPolarHBondContact CA-O 3.33Å; F281-V319 HydrophobicContact CD1-CB 4.02Å; F281-V319 HydrophobicContact CD1-CG1 3.81Å; F281-V319 HydrophobicContact CD2-CB 4.15Å; F281-V319 HydrophobicContact CD2-CG2 4.31Å; F281-V319 HydrophobicContact CE1-CB 4.08Å; F281-V319 HydrophobicContact CE1-CG1 3.63Å; F281-V319 HydrophobicContact CE1-CG2 4.48Å; F281-V319 HydrophobicContact CE2-CB 4.2Å; F281-V319 HydrophobicContact CE2-CG2 3.98Å; F281-V319 HydrophobicContact CG-CB 4.05Å; F281-V319 HydrophobicContact CG-CG1 4.37Å; F281-V319 HydrophobicContact CZ-CB 4.16Å; F281-V319 HydrophobicContact CZ-CG1 4.02Å; F281-V319 HydrophobicContact CZ-CG2 4.07Å; F281-F370 HydrophobicContact CD1-CB 4.33Å; F281-F370 HydrophobicContact CE1-CB 3.66Å; F281-F370 HydrophobicContact CE1-CD1 4.46Å; F281-F370 AromaticContact CE1-CD2 3.69Å; F281-F370 HydrophobicContact CE1-CD2 3.69Å; F281-F370 HydrophobicContact CE1-CE2 4.47Å; F281-F370 AromaticContact CE1-CG 3.7Å; F281-F370 HydrophobicContact CE1-CG 3.7Å; F281-F370 HydrophobicContact CZ-CD2 4.01Å; F281-F370 HydrophobicContact CZ-CG 4.48Å; F281-T372 HydrophobicContact CD1-CG2 4.03Å; F281-T372 HydrophobicContact CE1-CG2 4.29Å
282	Y	98.6	Very high	96.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.5	-179.5	70.3	-82.9	0	0	0	109.8	M302 V305 P306 V319 L320 S321	Y282-M302 HydrophobicContact CD2-SD 3.78Å; Y282-M302 HydrophobicContact CE2-SD 3.79Å; Y282-V305 HydrophobicContact CE1-CB 4.42Å; Y282-V305 HydrophobicContact CE1-CG1 4.22Å; Y282-P306 HydrophobicContact CD1-CG 3.98Å; Y282-P306 HydrophobicContact CD2-CG 4Å; Y282-P306 HydrophobicContact CG-CG 3.69Å; Y282-V319 WeakPolarHBondContact CD1-O 3.46Å; Y282-V319 VanDerWaalsContact CE1-C 3.49Å; Y282-V319 WeakPolarHBondContact CE1-O 3.47Å; Y282-V319 PolarHBondContact N-O 3.45Å; Y282-L320 HydrophobicContact CD2-CD1 4.37Å; Y282-L320 HydrophobicContact CE1-CB 4.49Å; Y282-L320 HydrophobicContact CE2-CD1 3.87Å; Y282-S321 PolarHBondContact O-N 3.1Å
283	E	97.9	Very high	95.8	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146	-177.6	-64.5	-174.5	-150.3	0	0	110.5	R100 E238 P239 Y264 S321 H323	R100-E283 IonicContact NH2-OE1 2.75Å; R100-E283 PolarHBondContact NH2-OE1 3.09Å; E238-E283 WeakPolarHBondContact CA-OE2 3.27Å; E238-E283 PolarHBondContact N-OE2 2.86Å; P239-E283 HydrophobicContact CG-CB 4.22Å; Y264-E283 VanDerWaalsContact CE2-O 3.26Å; Y264-E283 WeakPolarHBondContact CE2-O 3.12Å; Y264-E283 PolarHBondContact OH-O 3.5Å; Y264-E283 VanDerWaalsContact OH-O 3.1Å; E283-S321 WeakPolarHBondContact CG-OG 3.42Å; E283-S321 PolarHBondContact OE1-OG 2.69Å; E283-H323 IonicContact OE1-CE1 3.78Å; E283-H323 IonicContact OE1-NE2 3.06Å; E283-H323 IonicContact OE2-CE1 2.72Å; E283-H323 IonicContact OE2-NE2 3.76Å
284	S	96.4	Very high	95.4	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.028	18%	0.184	C	C	.	.			trans	-79.1	179.9	162.7	67.5	0	0	0	0	110	P239 T286	P239-S284 WeakPolarHBondContact CG-O 3.27Å; S284-T286 PolarHBondContact O-N 3.16Å
285	V	95.2	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.			trans	-51.5	135.1	155.7	-65.7	0	0	0	0	109	P239 P241 P253 A256 L260 Y287 G288	P239-V285 WeakPolarHBondContact O-CA 3.25Å; P241-V285 HydrophobicContact CB-CG1 4.13Å; P253-V285 HydrophobicContact CB-CG2 3.85Å; P253-V285 HydrophobicContact CG-CG2 4.04Å; A256-V285 HydrophobicContact CB-CG1 3.64Å; L260-V285 HydrophobicContact CD1-CG1 3.91Å; V285-Y287 HydrophobicContact CB-CE1 4.27Å; V285-Y287 HydrophobicContact CG2-CD2 4.4Å; V285-Y287 HydrophobicContact CG2-CE1 4.46Å; V285-Y287 HydrophobicContact CG2-CE2 4.03Å; V285-Y287 PolarHBondContact O-N 3.33Å; V285-G288 WeakPolarHBondContact O-CA 3.49Å; V285-G288 PolarHBondContact O-N 3.32Å
286	T	91.1	Very high	94.4	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.27	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-52.5	-40.3	-165	-43	0	0	0	0	112.9	E238 S284 G288	E238-T286 HydrophobicContact CG-CG2 4.23Å; S284-T286 PolarHBondContact O-N 3.16Å; T286-G288 VanDerWaalsContact C-N 3.32Å; T286-G288 PolarHBondContact O-N 3.15Å
287	Y	92.6	Very high	94	Very high	75 Å²	75	38.7 Å²	38.7	29%	0.294	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-80.5	-6.7	179.9	56.2	-94.3	0	0	0	114.6	P241 L251 P253 V285 I289 F290 F291	P241-Y287 WeakPolarHBondContact CG-OH 3.4Å; L251-Y287 WeakPolarHBondContact O-CE2 3.5Å; L251-Y287 PolarHBondContact O-OH 3.47Å; P253-Y287 HydrophobicContact CG-CD2 3.92Å; P253-Y287 HydrophobicContact CG-CE2 3.65Å; V285-Y287 HydrophobicContact CB-CE1 4.27Å; V285-Y287 HydrophobicContact CG2-CD2 4.4Å; V285-Y287 HydrophobicContact CG2-CE1 4.46Å; V285-Y287 HydrophobicContact CG2-CE2 4.03Å; V285-Y287 PolarHBondContact O-N 3.33Å; Y287-I289 VanDerWaalsContact C-N 3.26Å; Y287-I289 PolarHBondContact O-N 3.03Å; Y287-F290 PolarHBondContact O-N 3.48Å; Y287-F291 HydrophobicContact CD2-CD2 4.15Å; Y287-F291 AromaticContact CD2-CE2 3.69Å; Y287-F291 HydrophobicContact CD2-CE2 3.69Å; Y287-F291 HydrophobicContact CD2-CZ 4.49Å; Y287-F291 HydrophobicContact CE2-CE2 4.3Å; Y287-F291 WeakPolarHBondContact O-CD2 3.26Å
288	G	94	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.3	-30.9	-177	0	0	0	0	0	113.7	V285 T286 F290 F291 G299	V285-G288 WeakPolarHBondContact O-CA 3.49Å; V285-G288 PolarHBondContact O-N 3.32Å; T286-G288 VanDerWaalsContact C-N 3.32Å; T286-G288 PolarHBondContact O-N 3.15Å; G288-F290 PolarHBondContact O-N 2.9Å; G288-F291 PolarHBondContact O-N 3.49Å; G288-F291 VanDerWaalsContact O-N 3.08Å; G288-G299 CarbonylContact O-C 3.56Å; G288-G299 VanDerWaalsContact O-O 3.05Å
289	I	94.4	Very high	93.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65.5	-18.1	175.5	65.7	165.7	0	0	0	113.5	Y287 Y322 H323 A354 N357 V358	Y287-I289 VanDerWaalsContact C-N 3.26Å; Y287-I289 PolarHBondContact O-N 3.03Å; I289-Y322 HydrophobicContact CD1-CD2 3.72Å; I289-Y322 HydrophobicContact CD1-CG 4.47Å; I289-H323 WeakPolarHBondContact CD1-O 3.33Å; I289-A354 HydrophobicContact CD1-CB 4.5Å; I289-N357 PolarHBondContact O-ND2 3.47Å; I289-V358 HydrophobicContact CB-CG2 4.16Å; I289-V358 HydrophobicContact CG2-CG2 4.1Å
290	F	93.8	Very high	93.2	Very high	40 Å²	40	35.3 Å²	35.3	18%	0.175	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-91.4	-7.7	177.1	-60.3	-77.8	0	0	0	112.5	Y287 G288 Y324 W327 Y353 A354	Y287-F290 PolarHBondContact O-N 3.48Å; G288-F290 PolarHBondContact O-N 2.9Å; F290-Y324 HydrophobicContact CE1-CD2 4.18Å; F290-Y324 HydrophobicContact CE1-CE2 4.31Å; F290-Y324 HydrophobicContact CZ-CD2 4.03Å; F290-Y324 HydrophobicContact CZ-CE2 4.46Å; F290-W327 HydrophobicContact CD1-CZ3 4.41Å; F290-W327 HydrophobicContact CD2-CZ3 4.44Å; F290-W327 HydrophobicContact CE1-CZ3 4.29Å; F290-W327 HydrophobicContact CE2-CZ3 4.34Å; F290-W327 HydrophobicContact CG-CZ3 4.48Å; F290-W327 HydrophobicContact CZ-CZ3 4.25Å; F290-Y353 WeakPolarHBondContact O-CE1 3.42Å; F290-Y353 PolarHBondContact O-OH 2.84Å; F290-A354 HydrophobicContact CD1-CB 4.39Å; F290-A354 HydrophobicContact CE1-CB 3.88Å
291	F	93.8	Very high	93	Very high	83 Å²	83	35.4 Å²	35.4	36%	0.364	20%	0.198	S	C	.	.	S	Bend	trans	-86.9	142.5	178.6	-85.6	-111.4	0	0	0	111.6	P253 Y287 G288 G299 N357	P253-F291 HydrophobicContact CG-CB 4.22Å; P253-F291 HydrophobicContact CG-CD1 4.09Å; P253-F291 HydrophobicContact CG-CD2 3.83Å; P253-F291 HydrophobicContact CG-CE1 4.43Å; P253-F291 HydrophobicContact CG-CE2 4.2Å; P253-F291 HydrophobicContact CG-CG 3.77Å; P253-F291 HydrophobicContact CG-CZ 4.48Å; Y287-F291 HydrophobicContact CD2-CD2 4.15Å; Y287-F291 AromaticContact CD2-CE2 3.69Å; Y287-F291 HydrophobicContact CD2-CE2 3.69Å; Y287-F291 HydrophobicContact CD2-CZ 4.49Å; Y287-F291 HydrophobicContact CE2-CE2 4.3Å; Y287-F291 WeakPolarHBondContact O-CD2 3.26Å; G288-F291 PolarHBondContact O-N 3.49Å; G288-F291 VanDerWaalsContact O-N 3.08Å; F291-G299 WeakPolarHBondContact O-CA 3.27Å; F291-N357 PolarHBondContact O-ND2 3.4Å
292	P	92.1	Very high	92.8	Very high	69 Å²	69	35.4 Å²	35.4	45%	0.448	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-74.7	169.4	177.7	33.3	-36.4	0	0	0	111.1	G299 Y353	P292-G299 WeakPolarHBondContact O-CA 3.23Å; P292-Y353 WeakPolarHBondContact CA-OH 3.44Å
293	F	91.5	Very high	92.5	Very high	71 Å²	71	40.8 Å²	40.8	31%	0.311	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-66.3	135.5	165.9	-76.2	-113.3	0	0	0	110.6	I297 P298 S360 I361	F293-I297 CarbonylContact C-O 3.56Å; F293-I297 WeakPolarHBondContact CA-O 3.47Å; F293-P298 HydrophobicContact CD1-CB 4.4Å; F293-P298 HydrophobicContact CD1-CG 4.28Å; F293-P298 HydrophobicContact CE1-CB 3.91Å; F293-P298 HydrophobicContact CE1-CG 3.62Å; F293-P298 HydrophobicContact CZ-CB 3.99Å; F293-P298 HydrophobicContact CZ-CG 4.05Å; F293-S360 WeakPolarHBondContact CZ-O 3.5Å; F293-I361 HydrophobicContact CE2-CG1 4.03Å; F293-I361 HydrophobicContact CZ-CG1 4.21Å
294	V	88.5	Confident	92.5	Very high	84 Å²	84	42.5 Å²	42.5	51%	0.509	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-124.8	119	174.3	-178.4	0	0	0	0	108.5	G296 I297	V294-G296 PolarHBondContact O-N 3.08Å; V294-I297 PolarHBondContact N-O 3.19Å; V294-I297 WeakPolarHBondContact O-CB 3.38Å; V294-I297 WeakPolarHBondContact O-CG1 3.09Å; V294-I297 PolarHBondContact O-N 3.1Å
295	N	88	Confident	92.5	Very high	163 Å²	163	42.3 Å²	42.3	87%	0.872	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.8	-176.7	-58.5	-32.8	0	0	0	113.4	I297	N295-I297 PolarHBondContact O-N 2.72Å
296	G	86.5	Confident	92.7	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	0.4	-178.4	0	0	0	0	0	114.9	V294	V294-G296 PolarHBondContact O-N 3.08Å
297	I	88.7	Confident	93	Very high	38 Å²	38	40.4 Å²	40.4	20%	0.195	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-87.3	125.9	175.2	-50.9	-169.9	0	0	0	108.6	F293 V294 N295 Q303	F293-I297 CarbonylContact C-O 3.56Å; F293-I297 WeakPolarHBondContact CA-O 3.47Å; V294-I297 PolarHBondContact N-O 3.19Å; V294-I297 WeakPolarHBondContact O-CB 3.38Å; V294-I297 WeakPolarHBondContact O-CG1 3.09Å; V294-I297 PolarHBondContact O-N 3.1Å; N295-I297 PolarHBondContact O-N 2.72Å; I297-Q303 HydrophobicContact CG2-CG 3.98Å
298	P	92.1	Very high	93.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.013	21%	0.212	C	C	.	.			trans	-55	150.6	174.4	-25.8	34.7	0	0	0	112.7	F293 T300 G301 M302 I361 T365	F293-P298 HydrophobicContact CD1-CB 4.4Å; F293-P298 HydrophobicContact CD1-CG 4.28Å; F293-P298 HydrophobicContact CE1-CB 3.91Å; F293-P298 HydrophobicContact CE1-CG 3.62Å; F293-P298 HydrophobicContact CZ-CB 3.99Å; F293-P298 HydrophobicContact CZ-CG 4.05Å; P298-T300 PolarHBondContact O-N 3.47Å; P298-G301 PolarHBondContact O-N 3.05Å; P298-M302 WeakPolarHBondContact CG-O 3.28Å; P298-I361 HydrophobicContact CB-CB 4.5Å; P298-I361 HydrophobicContact CB-CG1 4.07Å; P298-I361 HydrophobicContact CB-CG2 4.13Å; P298-T365 HydrophobicContact CG-CG2 4.04Å
299	G	89.4	Confident	93.4	Very high	6 Å²	6	44 Å²	44	6%	0.062	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.5	177.7	0	0	0	0	0	114.6	P253 G288 F291 P292 G301	P253-G299 WeakPolarHBondContact CB-O 3.32Å; G288-G299 CarbonylContact O-C 3.56Å; G288-G299 VanDerWaalsContact O-O 3.05Å; F291-G299 WeakPolarHBondContact O-CA 3.27Å; P292-G299 WeakPolarHBondContact O-CA 3.23Å; G299-G301 VanDerWaalsContact C-N 3.28Å
300	T	94.9	Very high	93.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.5	171.6	59	0	0	0	0	113.4	G257 P298 M302 I361	G257-T300 WeakPolarHBondContact CA-O 3.43Å; P298-T300 PolarHBondContact O-N 3.47Å; T300-M302 PolarHBondContact O-N 2.68Å; T300-M302 PolarHBondContact OG1-N 3.24Å; T300-I361 HydrophobicContact CG2-CD1 3.78Å; T300-I361 HydrophobicContact CG2-CG1 4.41Å; T300-I361 HydrophobicContact CG2-CG2 4.09Å
301	G	94	Very high	93.6	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	74.6	-2.8	-169.5	0	0	0	0	0	115.5	P253 P298 G299	P253-G301 WeakPolarHBondContact O-CA 3.31Å; P298-G301 PolarHBondContact O-N 3.05Å; G299-G301 VanDerWaalsContact C-N 3.28Å
302	M	94.6	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.			trans	-98.5	118.8	179.5	-59.1	178.7	-176.8	0	0	109.3	L260 L261 Y264 Y282 P298 T300 T365	L260-M302 HydrophobicContact CB-CE 3.48Å; L260-M302 VanDerWaalsContact CB-CE 3.48Å; L260-M302 HydrophobicContact CD1-CE 4.08Å; L260-M302 HydrophobicContact CG-CE 4.43Å; L261-M302 HydrophobicContact CB-CG 4.28Å; L261-M302 HydrophobicContact CD2-CB 4.46Å; Y264-M302 HydrophobicContact CD2-CE 4.13Å; Y264-M302 HydrophobicContact CE2-CE 3.8Å; Y282-M302 HydrophobicContact CD2-SD 3.78Å; Y282-M302 HydrophobicContact CE2-SD 3.79Å; P298-M302 WeakPolarHBondContact CG-O 3.28Å; T300-M302 PolarHBondContact O-N 2.68Å; T300-M302 PolarHBondContact OG1-N 3.24Å; M302-T365 VanDerWaalsContact O-CG2 3.26Å; M302-T365 WeakPolarHBondContact O-CG2 3.32Å
303	Q	93.8	Very high	93.8	Very high	115 Å²	115	55.4 Å²	55.4	54%	0.537	29%	0.293	S	S	.	.	S	Bend	trans	-90.7	-2.7	-178	-63.8	176.9	-54.3	0	0	113.5	I297	I297-Q303 HydrophobicContact CG2-CG 3.98Å
304	R	95.9	Very high	94.1	Very high	40 Å²	40	52.3 Å²	52.3	15%	0.151	28%	0.28	C	S	.	.	S	Bend	trans	-157.9	162.1	-176.7	54.9	173.2	177	80.2	1	109.6	L261 D265 L308 L309	L261-R304 HydrophobicContact CD2-CG 3.86Å; D265-R304 VanDerWaalsContact CG-NH1 3.26Å; D265-R304 IonicContact OD1-CZ 3.24Å; D265-R304 IonicContact OD1-NH1 3.9Å; D265-R304 PolarHBondContact OD1-NH1 3.15Å; D265-R304 IonicContact OD1-NH2 2.64Å; D265-R304 IonicContact OD2-CZ 3.05Å; D265-R304 VanDerWaalsContact OD2-CZ 3.24Å; D265-R304 IonicContact OD2-NH1 2.74Å; D265-R304 PolarHBondContact OD2-NH1 3.28Å; D265-R304 IonicContact OD2-NH2 3.75Å; D265-R304 PolarHBondContact OD2-NH2 2.99Å; R304-L308 HydrophobicContact CB-CB 4.43Å; R304-L308 HydrophobicContact CB-CD2 3.66Å; R304-L309 VanDerWaalsContact NH2-CD1 3.29Å
305	V	97.7	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.			trans	-66.6	151.6	166.9	-59.1	0	0	0	0	111.4	Y282 L308 A314 R315 G366	Y282-V305 HydrophobicContact CE1-CB 4.42Å; Y282-V305 HydrophobicContact CE1-CG1 4.22Å; V305-L308 HydrophobicContact CG2-CB 3.97Å; V305-L308 HydrophobicContact CG2-CD1 4.45Å; V305-L308 WeakPolarHBondContact O-CB 3.35Å; V305-A314 HydrophobicContact CG2-CB 3.87Å; V305-R315 HydrophobicContact CG2-CG 3.95Å; V305-G366 WeakPolarHBondContact CG1-O 3.45Å
306	P	98.2	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	142.6	170.1	-24.7	35.3	0	0	0	112.6	L261 Y264 D265 V268 Y282 L308	L261-P306 HydrophobicContact CD1-CB 4.34Å; L261-P306 HydrophobicContact CD1-CG 3.98Å; Y264-P306 HydrophobicContact CD2-CG 4.09Å; Y264-P306 HydrophobicContact CG-CG 4.3Å; D265-P306 WeakPolarHBondContact OD1-CA 3.27Å; V268-P306 HydrophobicContact CG2-CB 3.78Å; Y282-P306 HydrophobicContact CD1-CG 3.98Å; Y282-P306 HydrophobicContact CD2-CG 4Å; Y282-P306 HydrophobicContact CG-CG 3.69Å; P306-L308 VanDerWaalsContact C-N 3.28Å; P306-L308 PolarHBondContact O-N 2.8Å
307	G	97.9	Very high	95.5	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-8.1	179.4	0	0	0	0	0	115.5	D265 L309 Q310 D311	D265-G307 PolarHBondContact OD1-N 3.01Å; G307-L309 PolarHBondContact O-N 2.54Å; G307-L309 VanDerWaalsContact O-N 3.13Å; G307-Q310 PolarHBondContact O-N 3.3Å; G307-D311 PolarHBondContact O-N 3.21Å
308	L	97.6	Very high	96	Very high	36 Å²	36	45.4 Å²	45.4	19%	0.188	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.2	-177.5	-172.7	64.4	0	0	0	113.7	R304 V305 P306 Q310 A314 R315	R304-L308 HydrophobicContact CB-CB 4.43Å; R304-L308 HydrophobicContact CB-CD2 3.66Å; V305-L308 HydrophobicContact CG2-CB 3.97Å; V305-L308 HydrophobicContact CG2-CD1 4.45Å; V305-L308 WeakPolarHBondContact O-CB 3.35Å; P306-L308 VanDerWaalsContact C-N 3.28Å; P306-L308 PolarHBondContact O-N 2.8Å; L308-Q310 PolarHBondContact O-N 2.78Å; L308-A314 HydrophobicContact CB-CB 4.35Å; L308-A314 HydrophobicContact CD1-CB 4.33Å; L308-R315 HydrophobicContact CD1-CG 4.03Å
309	L	96.8	Very high	96.3	Very high	116 Å²	116	45.3 Å²	45.3	61%	0.607	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	177.6	-64.1	-177.7	0	0	0	113.2	R304 G307	R304-L309 VanDerWaalsContact NH2-CD1 3.29Å; G307-L309 PolarHBondContact O-N 2.54Å; G307-L309 VanDerWaalsContact O-N 3.13Å
310	Q	97	Very high	96.7	Very high	109 Å²	109	45 Å²	45	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-27.7	-179.6	-69.4	80	39.9	0	0	112.9	N269 G307 L308	N269-Q310 VanDerWaalsContact ND2-CD 3.3Å; N269-Q310 PolarHBondContact ND2-OE1 2.94Å; N269-Q310 WeakPolarHBondContact OD1-CB 3.33Å; N269-Q310 VanDerWaalsContact OD1-CG 3.32Å; N269-Q310 WeakPolarHBondContact OD1-CG 3.5Å; N269-Q310 PolarHBondContact OD1-OE1 3.19Å; G307-Q310 PolarHBondContact O-N 3.3Å; L308-Q310 PolarHBondContact O-N 2.78Å
311	D	96.6	Very high	96.9	Very high	60 Å²	60	45 Å²	45	32%	0.321	21%	0.212	S	C	.	.			trans	-143.8	115.4	-177.7	-176.3	4.9	0	0	0	110.8	G307 M313 A314	G307-D311 PolarHBondContact O-N 3.21Å; D311-M313 PolarHBondContact O-N 2.85Å; D311-M313 VanDerWaalsContact OD1-CB 3.29Å; D311-M313 WeakPolarHBondContact OD1-CB 3.07Å; D311-M313 PolarHBondContact OD1-N 3Å; D311-A314 WeakPolarHBondContact O-CB 3.29Å; D311-A314 PolarHBondContact O-N 3.46Å
312	E	94.1	Very high	97.1	Very high	172 Å²	172	45.1 Å²	45.1	80%	0.804	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-60.9	-25.1	176	-66.6	-173.9	166.8	0	0	112.3	A314	E312-A314 PolarHBondContact O-N 3.31Å
313	M	95.8	Very high	97.3	Very high	90 Å²	90	45.4 Å²	45.4	44%	0.443	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-76.1	-2.1	176.7	-62.3	-67.6	-71.6	0	0	113.1	D311 R315 K316	D311-M313 PolarHBondContact O-N 2.85Å; D311-M313 VanDerWaalsContact OD1-CB 3.29Å; D311-M313 WeakPolarHBondContact OD1-CB 3.07Å; D311-M313 PolarHBondContact OD1-N 3Å; M313-R315 PolarHBondContact O-N 3.28Å; M313-K316 HydrophobicContact CE-CD 3.59Å; M313-K316 PolarHBondContact O-N 3.31Å; M313-K316 HydrophobicContact SD-CD 4.09Å
314	A	97.8	Very high	97.5	Very high	6 Å²	6	40 Å²	40	5%	0.05	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-55.8	-35.5	177.6	0	0	0	0	0	112.4	V305 L308 D311 E312 K316 K317 S318	V305-A314 HydrophobicContact CG2-CB 3.87Å; L308-A314 HydrophobicContact CB-CB 4.35Å; L308-A314 HydrophobicContact CD1-CB 4.33Å; D311-A314 WeakPolarHBondContact O-CB 3.29Å; D311-A314 PolarHBondContact O-N 3.46Å; E312-A314 PolarHBondContact O-N 3.31Å; A314-K316 PolarHBondContact O-N 3.32Å; A314-K317 CarbonylContact O-C 3.53Å; A314-K317 WeakPolarHBondContact O-CA 3.41Å; A314-K317 PolarHBondContact O-N 3.48Å; A314-S318 WeakPolarHBondContact O-CB 3.28Å; A314-S318 PolarHBondContact O-N 3.39Å; A314-S318 PolarHBondContact O-OG 2.8Å; A314-S318 VanDerWaalsContact O-OG 3.09Å
315	R	97.3	Very high	97.4	Very high	92 Å²	92	40.2 Å²	40.2	35%	0.347	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-60.5	-30.7	176.4	-68.4	-179.2	173.9	168.4	1	113.2	D50 V305 L308 M313 K317 T365 G367	D50-R315 WeakPolarHBondContact OD1-CB 3.2Å; D50-R315 WeakPolarHBondContact OD1-CD 3.36Å; V305-R315 HydrophobicContact CG2-CG 3.95Å; L308-R315 HydrophobicContact CD1-CG 4.03Å; M313-R315 PolarHBondContact O-N 3.28Å; R315-K317 PolarHBondContact O-N 2.88Å; R315-T365 PolarHBondContact NE-O 2.78Å; R315-G367 VanDerWaalsContact O-CA 3.25Å; R315-G367 WeakPolarHBondContact O-CA 3.25Å
316	K	97.9	Very high	97.3	Very high	75 Å²	75	40.3 Å²	40.3	33%	0.326	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-82.1	0.6	176.5	-62.5	-178	176.6	175.4	0	113.1	I48 D50 M313 A314	I48-K316 PolarHBondContact N-O 2.87Å; I48-K316 WeakPolarHBondContact O-CA 3.07Å; I48-K316 WeakPolarHBondContact O-CB 3.45Å; I48-K316 WeakPolarHBondContact O-CG 3.48Å; D50-K316 HydrophobicContact CB-CG 4.08Å; M313-K316 HydrophobicContact CE-CD 3.59Å; M313-K316 PolarHBondContact O-N 3.31Å; M313-K316 HydrophobicContact SD-CD 4.09Å; A314-K316 PolarHBondContact O-N 3.32Å
317	K	97.8	Very high	97	Very high	27 Å²	27	46.4 Å²	46.4	12%	0.117	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-138.2	14.1	-170	-58.6	-178.8	177.2	-172.8	0	113.4	K276 D277 L279 I280 A314 R315	K276-K317 PolarHBondContact O-NZ 2.93Å; D277-K317 IonicContact OD1-NZ 3.94Å; D277-K317 PolarHBondContact OD1-NZ 2.79Å; L279-K317 CarbonylContact C-O 3.48Å; L279-K317 WeakPolarHBondContact CA-O 3.49Å; I280-K317 PolarHBondContact N-O 3.28Å; A314-K317 CarbonylContact O-C 3.53Å; A314-K317 WeakPolarHBondContact O-CA 3.41Å; A314-K317 PolarHBondContact O-N 3.48Å; R315-K317 PolarHBondContact O-N 2.88Å
318	S	98.6	Very high	96.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.3	-177	-68.6	0	0	0	0	110.8	I280 A314 G367 G368	I280-S318 CarbonylContact O-C 3.47Å; I280-S318 VanDerWaalsContact O-CA 3.3Å; I280-S318 WeakPolarHBondContact O-CA 3.44Å; A314-S318 WeakPolarHBondContact O-CB 3.28Å; A314-S318 PolarHBondContact O-N 3.39Å; A314-S318 PolarHBondContact O-OG 2.8Å; A314-S318 VanDerWaalsContact O-OG 3.09Å; S318-G367 CarbonylContact O-C 3.44Å; S318-G367 WeakPolarHBondContact O-CA 3.3Å; S318-G368 PolarHBondContact O-N 3.16Å
319	V	98.8	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.5	-175.1	-177.9	0	0	0	0	108.3	I48 F55 L279 I280 F281 Y282 S321 G368 F370	I48-V319 HydrophobicContact CD1-CG2 3.87Å; I48-V319 HydrophobicContact CG1-CG2 4.19Å; F55-V319 HydrophobicContact CE1-CG1 4.38Å; F55-V319 HydrophobicContact CE1-CG2 3.72Å; F55-V319 HydrophobicContact CZ-CG1 3.86Å; F55-V319 HydrophobicContact CZ-CG2 4.02Å; L279-V319 HydrophobicContact CB-CG2 4.29Å; L279-V319 HydrophobicContact CD1-CG2 4.03Å; I280-V319 PolarHBondContact O-N 3.02Å; F281-V319 WeakPolarHBondContact CA-O 3.33Å; F281-V319 HydrophobicContact CD1-CB 4.02Å; F281-V319 HydrophobicContact CD1-CG1 3.81Å; F281-V319 HydrophobicContact CD2-CB 4.15Å; F281-V319 HydrophobicContact CD2-CG2 4.31Å; F281-V319 HydrophobicContact CE1-CB 4.08Å; F281-V319 HydrophobicContact CE1-CG1 3.63Å; F281-V319 HydrophobicContact CE1-CG2 4.48Å; F281-V319 HydrophobicContact CE2-CB 4.2Å; F281-V319 HydrophobicContact CE2-CG2 3.98Å; F281-V319 HydrophobicContact CG-CB 4.05Å; F281-V319 HydrophobicContact CG-CG1 4.37Å; F281-V319 HydrophobicContact CZ-CB 4.16Å; F281-V319 HydrophobicContact CZ-CG1 4.02Å; F281-V319 HydrophobicContact CZ-CG2 4.07Å; Y282-V319 WeakPolarHBondContact CD1-O 3.46Å; Y282-V319 VanDerWaalsContact CE1-C 3.49Å; Y282-V319 WeakPolarHBondContact CE1-O 3.47Å; Y282-V319 PolarHBondContact N-O 3.45Å; V319-S321 PolarHBondContact O-N 3.08Å; V319-S321 VanDerWaalsContact O-N 3.13Å; V319-G368 WeakPolarHBondContact CA-O 3.45Å; V319-F370 HydrophobicContact CG1-CB 3.7Å
320	L	98.4	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	105.4	167.1	178.9	61.4	0	0	0	108.3	Y282 V358 I361 V362 G368 R369 F370	Y282-L320 HydrophobicContact CD2-CD1 4.37Å; Y282-L320 HydrophobicContact CE1-CB 4.49Å; Y282-L320 HydrophobicContact CE2-CD1 3.87Å; L320-V358 HydrophobicContact CD2-CG1 4.19Å; L320-I361 HydrophobicContact CD2-CB 4.28Å; L320-I361 HydrophobicContact CD2-CG2 3.71Å; L320-V362 HydrophobicContact CB-CG2 4.05Å; L320-V362 HydrophobicContact CD2-CG2 4.1Å; L320-G368 PolarHBondContact N-O 2.84Å; L320-R369 WeakPolarHBondContact O-CA 3.37Å; L320-F370 PolarHBondContact O-N 2.64Å
321	S	98.8	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.9	168.9	-179.8	0	0	0	0	107.4	D234 Y282 E283 V319 T372	D234-S321 PolarHBondContact OD1-OG 3.28Å; D234-S321 PolarHBondContact OD2-OG 2.99Å; Y282-S321 PolarHBondContact O-N 3.1Å; E283-S321 WeakPolarHBondContact CG-OG 3.42Å; E283-S321 PolarHBondContact OE1-OG 2.69Å; V319-S321 PolarHBondContact O-N 3.08Å; V319-S321 VanDerWaalsContact O-N 3.13Å; S321-T372 WeakPolarHBondContact OG-CB 3.04Å; S321-T372 VanDerWaalsContact OG-CG2 3.24Å; S321-T372 WeakPolarHBondContact OG-CG2 3.38Å; S321-T372 PolarHBondContact OG-OG1 2.93Å
322	Y	98.3	Very high	95.4	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.02	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.5	179.3	76.1	-82.4	0	0	0	112.2	I289 V358 R369 F370 L371 T372 E403	I289-Y322 HydrophobicContact CD1-CD2 3.72Å; I289-Y322 HydrophobicContact CD1-CG 4.47Å; Y322-V358 HydrophobicContact CD1-CG1 3.81Å; Y322-V358 HydrophobicContact CD1-CG2 4.06Å; Y322-V358 HydrophobicContact CD2-CG2 3.86Å; Y322-V358 HydrophobicContact CE1-CB 4.34Å; Y322-V358 HydrophobicContact CE1-CG1 3.58Å; Y322-V358 HydrophobicContact CE1-CG2 4.14Å; Y322-V358 HydrophobicContact CE2-CG2 3.91Å; Y322-V358 HydrophobicContact CG-CG1 4.49Å; Y322-V358 HydrophobicContact CG-CG2 3.91Å; Y322-R369 HydrophobicContact CE1-CB 4.41Å; Y322-F370 WeakPolarHBondContact CD1-O 3.45Å; Y322-F370 VanDerWaalsContact CE1-C 3.49Å; Y322-F370 PolarHBondContact N-O 3.33Å; Y322-F370 VanDerWaalsContact N-O 3.14Å; Y322-L371 HydrophobicContact CD2-CD1 3.94Å; Y322-L371 HydrophobicContact CE1-CB 4.15Å; Y322-L371 HydrophobicContact CE2-CB 4.22Å; Y322-L371 HydrophobicContact CE2-CD1 3.55Å; Y322-L371 HydrophobicContact CE2-CG 4.44Å; Y322-L371 CarbonylContact O-C 3.58Å; Y322-L371 WeakPolarHBondContact O-CA 3.5Å; Y322-T372 PolarHBondContact N-OG1 3.22Å; Y322-T372 PolarHBondContact O-N 2.97Å; Y322-T372 PolarHBondContact O-OG1 3.21Å; Y322-E403 WeakPolarHBondContact CE1-OE1 3.49Å; Y322-E403 VanDerWaalsContact OH-CD 3.29Å; Y322-E403 VanDerWaalsContact OH-CG 3.31Å; Y322-E403 WeakPolarHBondContact OH-CG 3.26Å
323	H	97.7	Very high	95.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.3	-177.9	-56.3	172.6	0	0	0	111.3	N237 E238 E283 I289 Y325 T372 E373	N237-H323 PolarHBondContact OD1-CE1 3.3Å; E238-H323 VanDerWaalsContact CG-CE1 3.5Å; E238-H323 WeakPolarHBondContact CG-CE1 3.5Å; E238-H323 VanDerWaalsContact CG-ND1 3.29Å; E238-H323 WeakPolarHBondContact CG-ND1 3.42Å; E238-H323 IonicContact OE1-CE1 2.67Å; E238-H323 IonicContact OE1-CG 3.7Å; E238-H323 IonicContact OE1-ND1 3.93Å; E238-H323 PolarHBondContact OE1-ND1 3.29Å; E283-H323 IonicContact OE1-CE1 3.78Å; E283-H323 IonicContact OE1-NE2 3.06Å; E283-H323 IonicContact OE2-CE1 2.72Å; E283-H323 IonicContact OE2-NE2 3.76Å; I289-H323 WeakPolarHBondContact CD1-O 3.33Å; H323-Y325 HydrophobicContact CB-CD2 4.34Å; H323-Y325 HydrophobicContact CB-CE2 4.06Å; H323-T372 PolarHBondContact CD2-OG1 3.24Å; H323-T372 PolarHBondContact NE2-OG1 3.07Å; H323-E373 CarbonylContact C-O 3.57Å; H323-E373 VanDerWaalsContact CA-O 3.24Å; H323-E373 WeakPolarHBondContact CA-O 3.36Å; H323-E373 HydrophobicContact CB-CB 4Å; H323-E373 VanDerWaalsContact CD2-CB 3.48Å; H323-E373 WeakPolarHBondContact CD2-CB 3.38Å; H323-E373 PolarHBondContact CD2-N 2.99Å; H323-E373 VanDerWaalsContact CD2-N 3.32Å; H323-E373 IonicContact CE1-OE1 3.89Å; H323-E373 PolarHBondContact CE1-OE1 3.37Å; H323-E373 IonicContact CE1-OE2 3.39Å; H323-E373 IonicContact ND1-OE2 2.69Å; H323-E373 WeakPolarHBondContact NE2-CG 3.42Å; H323-E373 IonicContact NE2-OE1 2.67Å
324	Y	97.5	Very high	95.1	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.3	173	174.7	-89.2	0	0	0	110.9	F290 C346 L350 L351 A354 E373 F374 E390 V394	F290-Y324 HydrophobicContact CE1-CD2 4.18Å; F290-Y324 HydrophobicContact CE1-CE2 4.31Å; F290-Y324 HydrophobicContact CZ-CD2 4.03Å; F290-Y324 HydrophobicContact CZ-CE2 4.46Å; Y324-C346 PolarHBondContact OH-O 3.11Å; Y324-L350 HydrophobicContact CE2-CB 4.34Å; Y324-L351 HydrophobicContact CD1-CD1 3.88Å; Y324-L351 HydrophobicContact CD2-CD1 4.2Å; Y324-L351 HydrophobicContact CE1-CB 4.5Å; Y324-L351 HydrophobicContact CE1-CD1 3.64Å; Y324-L351 HydrophobicContact CE2-CB 4.06Å; Y324-L351 HydrophobicContact CE2-CD1 3.98Å; Y324-L351 HydrophobicContact CG-CD1 4.16Å; Y324-A354 HydrophobicContact CD2-CB 4.04Å; Y324-A354 HydrophobicContact CE2-CB 4.5Å; Y324-E373 PolarHBondContact N-O 3.33Å; Y324-F374 WeakPolarHBondContact O-CA 3.43Å; Y324-F374 VanDerWaalsContact O-CB 3.22Å; Y324-F374 WeakPolarHBondContact O-CB 3.34Å; Y324-E390 WeakPolarHBondContact CE1-OE1 3.26Å; Y324-V394 HydrophobicContact CD1-CG2 3.84Å; Y324-V394 HydrophobicContact CE1-CG2 3.67Å
325	Y	95.4	Very high	94.9	Very high	46 Å²	46	41.4 Å²	41.4	18%	0.18	21%	0.213	C	C	.	.			trans	-135.3	126.3	170.8	-65	-85.4	0	0	0	108.2	H323 W327 E373 L376 W408	H323-Y325 HydrophobicContact CB-CD2 4.34Å; H323-Y325 HydrophobicContact CB-CE2 4.06Å; Y325-W327 PolarHBondContact O-N 3.18Å; Y325-E373 HydrophobicContact CE2-CB 4.1Å; Y325-E373 PolarHBondContact OH-OE2 3.43Å; Y325-L376 HydrophobicContact CD1-CD1 4.06Å; Y325-L376 HydrophobicContact CD1-CG 3.87Å; Y325-W408 VanDerWaalsContact OH-CB 3.28Å; Y325-W408 WeakPolarHBondContact OH-CB 3.48Å
326	C	95.6	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	22%	0.219	C	C	.	.			trans	-75.9	95	170.7	-167.5	0	0	0	0	109.9	L328 L329 C346 E390	C326-L328 PolarHBondContact O-N 3.24Å; C326-L329 HydrophobicContact CB-CD1 3.81Å; C326-L329 HydrophobicContact CB-CG 3.98Å; C326-L329 WeakPolarHBondContact O-CB 3.49Å; C326-L329 PolarHBondContact O-N 3.14Å; C326-C346 HydrophobicContact CB-CB 3.78Å; C326-C346 WeakPolarHBondContact CB-SG 2.94Å; C326-C346 VanDerWaalsContact SG-CA 3.6Å; C326-C346 WeakPolarHBondContact SG-CB 3.37Å; C326-C346 CovalentContact SG-SG 2.04Å; C326-C346 PolarHBondContact SG-SG 3.2Å; C326-E390 WeakPolarHBondContact CB-OE1 3.29Å
327	W	91.5	Very high	94.7	Very high	128 Å²	128	43.8 Å²	43.8	49%	0.485	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.5	-20.6	-177.4	64	78	0	0	0	114.2	F290 Y325 L329 E330 L350	F290-W327 HydrophobicContact CD1-CZ3 4.41Å; F290-W327 HydrophobicContact CD2-CZ3 4.44Å; F290-W327 HydrophobicContact CE1-CZ3 4.29Å; F290-W327 HydrophobicContact CE2-CZ3 4.34Å; F290-W327 HydrophobicContact CG-CZ3 4.48Å; F290-W327 HydrophobicContact CZ-CZ3 4.25Å; Y325-W327 PolarHBondContact O-N 3.18Å; W327-L329 PolarHBondContact O-N 3.18Å; W327-E330 PolarHBondContact O-N 3.06Å; W327-L350 HydrophobicContact CH2-CD1 4.03Å; W327-L350 HydrophobicContact CH2-CD2 3.5Å; W327-L350 HydrophobicContact CH2-CG 4.43Å; W327-L350 HydrophobicContact CZ2-CD1 3.99Å; W327-L350 HydrophobicContact CZ2-CD2 3.95Å; W327-L350 HydrophobicContact CZ3-CD1 4.35Å; W327-L350 HydrophobicContact CZ3-CD2 4.22Å
328	L	93.2	Very high	94.6	Very high	44 Å²	44	42.8 Å²	42.8	23%	0.23	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-64.6	-17.2	174.6	-61.7	176.4	0	0	0	112.8	C326 K342 L345 L350	C326-L328 PolarHBondContact O-N 3.24Å; L328-K342 WeakPolarHBondContact O-CE 3.46Å; L328-K342 PolarHBondContact O-NZ 2.04Å; L328-L345 HydrophobicContact CD1-CB 3.62Å; L328-L345 HydrophobicContact CD1-CD1 3.66Å; L328-L345 HydrophobicContact CD1-CG 4.31Å; L328-L350 HydrophobicContact CD1-CD1 4.32Å
329	L	93.2	Very high	94.4	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-91.5	-20.6	-178.4	-55.5	179	0	0	0	112.7	C326 W327 S331 T332 M338 K342 I386 E390	C326-L329 HydrophobicContact CB-CD1 3.81Å; C326-L329 HydrophobicContact CB-CG 3.98Å; C326-L329 WeakPolarHBondContact O-CB 3.49Å; C326-L329 PolarHBondContact O-N 3.14Å; W327-L329 PolarHBondContact O-N 3.18Å; L329-S331 PolarHBondContact O-N 3.4Å; L329-S331 VanDerWaalsContact O-N 3.11Å; L329-T332 PolarHBondContact O-N 3.3Å; L329-T332 VanDerWaalsContact O-N 3.09Å; L329-T332 VanDerWaalsContact O-O 3.06Å; L329-M338 HydrophobicContact CD1-CE 4.09Å; L329-M338 HydrophobicContact CD2-CE 3.82Å; L329-K342 HydrophobicContact CD2-CB 4.36Å; L329-K342 HydrophobicContact CD2-CD 4.03Å; L329-I386 HydrophobicContact CB-CG2 4.25Å; L329-I386 HydrophobicContact CD1-CG2 3.91Å; L329-I386 HydrophobicContact CD2-CD1 4.45Å; L329-I386 HydrophobicContact CD2-CG1 4.45Å; L329-I386 HydrophobicContact CD2-CG2 4.01Å; L329-I386 HydrophobicContact CG-CG2 4.27Å; L329-E390 HydrophobicContact CD1-CB 3.84Å; L329-E390 VanDerWaalsContact CD1-CD 3.44Å; L329-E390 HydrophobicContact CD1-CG 3.54Å; L329-E390 WeakPolarHBondContact CD1-OE2 3.16Å
330	E	89.1	Confident	94.2	Very high	115 Å²	115	49.1 Å²	49.1	54%	0.537	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.9	-178.2	-68.9	178.4	-158.6	0	0	113.5	W327 T332 L376	W327-E330 PolarHBondContact O-N 3.06Å; E330-T332 VanDerWaalsContact C-N 3.32Å; E330-T332 PolarHBondContact O-N 3.19Å; E330-L376 HydrophobicContact CG-CD1 3.47Å; E330-L376 VanDerWaalsContact CG-CD1 3.47Å; E330-L376 HydrophobicContact CG-CD2 4.34Å
331	S	87	Confident	94.1	Very high	100 Å²	100	55.9 Å²	55.9	70%	0.699	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	4.3	-177.3	81.9	0	0	0	0	114.1	L329	L329-S331 PolarHBondContact O-N 3.4Å; L329-S331 VanDerWaalsContact O-N 3.11Å
332	T	88.8	Confident	93.9	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.178	30%	0.296	C	S	.	.	S	Bend	trans	-134.3	132.9	-175.6	-60.5	0	0	0	0	109.8	L329 E330 A334 E336 K342 I386	L329-T332 PolarHBondContact O-N 3.3Å; L329-T332 VanDerWaalsContact O-N 3.09Å; L329-T332 VanDerWaalsContact O-O 3.06Å; E330-T332 VanDerWaalsContact C-N 3.32Å; E330-T332 PolarHBondContact O-N 3.19Å; T332-A334 PolarHBondContact O-N 2.96Å; T332-E336 HydrophobicContact CG2-CB 4.22Å; T332-E336 WeakPolarHBondContact CG2-OE2 3.47Å; T332-K342 PolarHBondContact OG1-NZ 2.83Å; T332-I386 HydrophobicContact CG2-CD1 3.52Å
333	P	91.7	Very high	93.8	Very high	73 Å²	73	62.4 Å²	62.4	47%	0.474	32%	0.319	S	S	.	.			trans	-54.5	129.1	175.2	-24.4	34	0	0	0	111.3	T335 E336	P333-T335 PolarHBondContact O-N 2.91Å; P333-T335 VanDerWaalsContact O-N 3.11Å; P333-E336 HydrophobicContact CB-CG 4.19Å; P333-E336 WeakPolarHBondContact CD-OE1 3.4Å; P333-E336 HydrophobicContact CG-CG 4.5Å; P333-E336 WeakPolarHBondContact CG-OE1 3.25Å; P333-E336 WeakPolarHBondContact O-CB 3.38Å; P333-E336 PolarHBondContact O-N 2.98Å
334	A	91.9	Very high	93.8	Very high	27 Å²	27	67 Å²	67	22%	0.223	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.5	-172.3	0	0	0	0	0	113.8	T332 E336 I386 N387	T332-A334 PolarHBondContact O-N 2.96Å; A334-E336 VanDerWaalsContact C-N 3.3Å; A334-I386 HydrophobicContact CB-CG2 4.3Å; A334-I386 WeakPolarHBondContact O-CB 3.26Å; A334-I386 PolarHBondContact O-N 3.05Å; A334-N387 WeakPolarHBondContact CB-OD1 3.18Å; A334-N387 WeakPolarHBondContact O-CB 3.15Å; A334-N387 PolarHBondContact O-N 2.67Å; A334-N387 PolarHBondContact O-ND2 3.34Å
335	T	93.8	Very high	93.7	Very high	94 Å²	94	69.7 Å²	69.7	58%	0.577	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.1	174.3	52.9	0	0	0	0	113.5	P333	P333-T335 PolarHBondContact O-N 2.91Å; P333-T335 VanDerWaalsContact O-N 3.11Å
336	E	95.3	Very high	93.8	Very high	101 Å²	101	67.5 Å²	67.5	47%	0.472	35%	0.346	S	S	.	.	S	Bend	trans	-76	157.6	177.7	-69.4	-177.8	-163.3	0	0	112	T332 P333 A334 M338 S385 I386	T332-E336 HydrophobicContact CG2-CB 4.22Å; T332-E336 WeakPolarHBondContact CG2-OE2 3.47Å; P333-E336 HydrophobicContact CB-CG 4.19Å; P333-E336 WeakPolarHBondContact CD-OE1 3.4Å; P333-E336 HydrophobicContact CG-CG 4.5Å; P333-E336 WeakPolarHBondContact CG-OE1 3.25Å; P333-E336 WeakPolarHBondContact O-CB 3.38Å; P333-E336 PolarHBondContact O-N 2.98Å; A334-E336 VanDerWaalsContact C-N 3.3Å; E336-M338 PolarHBondContact O-N 3.39Å; E336-S385 CarbonylContact O-C 3.4Å; E336-S385 WeakPolarHBondContact O-CA 3.3Å; E336-I386 PolarHBondContact O-N 3.39Å
337	H	96.3	Very high	93.9	Very high	117 Å²	117	68 Å²	68	54%	0.542	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-58.9	129.5	174.7	167	-73.7	0	0	0	111.1	P339 D384	H337-P339 WeakPolarHBondContact O-CD 3.45Å; H337-D384 CarbonylContact C-O 3.6Å; H337-D384 VanDerWaalsContact CA-O 3.3Å; H337-D384 WeakPolarHBondContact CA-O 3.34Å
338	M	95.6	Very high	94	Very high	6 Å²	6	67 Å²	67	3%	0.03	35%	0.349	C	S	.	.			trans	-70.2	112.2	177.9	-167.1	-176.9	-158	0	0	111.2	L329 E336 S340 R343 C346 D384 I386 V389	L329-M338 HydrophobicContact CD1-CE 4.09Å; L329-M338 HydrophobicContact CD2-CE 3.82Å; E336-M338 PolarHBondContact O-N 3.39Å; M338-S340 PolarHBondContact O-N 3.17Å; M338-R343 HydrophobicContact CE-CB 4.16Å; M338-R343 HydrophobicContact CG-CB 4.07Å; M338-R343 HydrophobicContact SD-CB 3.61Å; M338-R343 HydrophobicContact SD-CG 3.82Å; M338-C346 HydrophobicContact CE-CB 4.03Å; M338-D384 PolarHBondContact N-O 3.05Å; M338-I386 HydrophobicContact CB-CG1 3.73Å; M338-I386 HydrophobicContact CG-CG1 3.96Å; M338-V389 HydrophobicContact CB-CB 4.32Å; M338-V389 HydrophobicContact CB-CG2 4.41Å; M338-V389 HydrophobicContact SD-CB 3.73Å; M338-V389 HydrophobicContact SD-CG1 3.28Å; M338-V389 WeakPolarHBondContact SD-CG1 3.42Å
339	P	94.3	Very high	94.1	Very high	36 Å²	36	69.1 Å²	69.1	23%	0.234	36%	0.36	C	S	.	.			trans	-59.2	138.2	179	-22.5	34.8	0	0	0	111.1	H337 W341 K342 R343	H337-P339 WeakPolarHBondContact O-CD 3.45Å; P339-W341 PolarHBondContact O-N 3.19Å; P339-W341 VanDerWaalsContact O-N 3.11Å; P339-K342 HydrophobicContact CB-CB 4.49Å; P339-K342 HydrophobicContact CB-CG 4.32Å; P339-K342 HydrophobicContact CG-CD 4.33Å; P339-K342 HydrophobicContact CG-CG 4.31Å; P339-K342 PolarHBondContact O-N 2.83Å; P339-R343 PolarHBondContact O-N 3.31Å
340	S	95	Very high	94.3	Very high	98 Å²	98	70.4 Å²	70.4	69%	0.685	37%	0.366	S	S	*	.	H	α-helix	trans	-54.8	-35.9	-175.3	57.6	0	0	0	0	113.6	M338 H344	M338-S340 PolarHBondContact O-N 3.17Å; S340-H344 WeakPolarHBondContact O-CB 3.41Å; S340-H344 PolarHBondContact O-N 2.66Å
341	W	95.6	Very high	94.7	Very high	142 Å²	142	65 Å²	65	54%	0.538	34%	0.341	S	S	.	.	H	α-helix	trans	-69.3	-39.5	176.3	71.9	-93.2	0	0	0	112.4	P339 H344 L345	P339-W341 PolarHBondContact O-N 3.19Å; P339-W341 VanDerWaalsContact O-N 3.11Å; W341-H344 PolarHBondContact O-N 3.31Å; W341-L345 HydrophobicContact CE3-CD1 3.69Å; W341-L345 HydrophobicContact CZ3-CD1 3.83Å; W341-L345 VanDerWaalsContact O-CG 3.31Å; W341-L345 WeakPolarHBondContact O-CG 3.44Å; W341-L345 PolarHBondContact O-N 3.27Å
342	K	95.4	Very high	95.1	Very high	12 Å²	12	62.8 Å²	62.8	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-46.5	174.7	-70.6	-160.5	-177.4	-168.5	0	110.2	L328 L329 T332 P339 H344 L345 C346	L328-K342 WeakPolarHBondContact O-CE 3.46Å; L328-K342 PolarHBondContact O-NZ 2.04Å; L329-K342 HydrophobicContact CD2-CB 4.36Å; L329-K342 HydrophobicContact CD2-CD 4.03Å; T332-K342 PolarHBondContact OG1-NZ 2.83Å; P339-K342 HydrophobicContact CB-CB 4.49Å; P339-K342 HydrophobicContact CB-CG 4.32Å; P339-K342 HydrophobicContact CG-CD 4.33Å; P339-K342 HydrophobicContact CG-CG 4.31Å; P339-K342 PolarHBondContact O-N 2.83Å; K342-H344 VanDerWaalsContact C-N 3.31Å; K342-H344 PolarHBondContact O-N 3.28Å; K342-L345 PolarHBondContact O-N 3.24Å; K342-L345 VanDerWaalsContact O-N 3.14Å; K342-C346 PolarHBondContact O-N 3.13Å; K342-C346 PolarHBondContact O-SG 2.76Å; K342-C346 VanDerWaalsContact O-SG 3.37Å
343	R	96.2	Very high	95.5	Very high	130 Å²	130	65.4 Å²	65.4	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-54.1	-47	175	-173.1	179.2	175.5	176.6	-2.7	112	M338 P339 L345 D347 V389	M338-R343 HydrophobicContact CE-CB 4.16Å; M338-R343 HydrophobicContact CG-CB 4.07Å; M338-R343 HydrophobicContact SD-CB 3.61Å; M338-R343 HydrophobicContact SD-CG 3.82Å; P339-R343 PolarHBondContact O-N 3.31Å; R343-L345 PolarHBondContact O-N 2.96Å; R343-D347 WeakPolarHBondContact CG-OD2 3.37Å; R343-D347 IonicContact NE-OD2 3.72Å; R343-D347 PolarHBondContact NE-OD2 2.95Å; R343-D347 VanDerWaalsContact O-CB 3.22Å; R343-D347 WeakPolarHBondContact O-CB 3.03Å; R343-D347 PolarHBondContact O-N 2.88Å; R343-V389 HydrophobicContact CG-CG1 4.11Å
344	H	96.6	Very high	95.8	Very high	101 Å²	101	62 Å²	62	47%	0.468	31%	0.306	S	S	.	.	I	π-helix	trans	-61.9	-44.8	177.3	-175.7	76.9	0	0	0	112.2	S340 W341 K342 Q348 L349	S340-H344 WeakPolarHBondContact O-CB 3.41Å; S340-H344 PolarHBondContact O-N 2.66Å; W341-H344 PolarHBondContact O-N 3.31Å; K342-H344 VanDerWaalsContact C-N 3.31Å; K342-H344 PolarHBondContact O-N 3.28Å; H344-Q348 WeakPolarHBondContact O-CA 3.3Å; H344-Q348 VanDerWaalsContact O-CB 3.27Å; H344-Q348 WeakPolarHBondContact O-CB 3.37Å; H344-Q348 PolarHBondContact O-N 3.4Å; H344-L349 PolarHBondContact O-N 3.19Å
345	L	97	Very high	96	Very high	59 Å²	59	60.7 Å²	60.7	31%	0.309	30%	0.296	S	S	.	.	I	π-helix	trans	-67.1	-44	179.7	-66.4	179.7	0	0	0	112.6	L328 W341 K342 R343 L349 L350	L328-L345 HydrophobicContact CD1-CB 3.62Å; L328-L345 HydrophobicContact CD1-CD1 3.66Å; L328-L345 HydrophobicContact CD1-CG 4.31Å; W341-L345 HydrophobicContact CE3-CD1 3.69Å; W341-L345 HydrophobicContact CZ3-CD1 3.83Å; W341-L345 VanDerWaalsContact O-CG 3.31Å; W341-L345 WeakPolarHBondContact O-CG 3.44Å; W341-L345 PolarHBondContact O-N 3.27Å; K342-L345 PolarHBondContact O-N 3.24Å; K342-L345 VanDerWaalsContact O-N 3.14Å; R343-L345 PolarHBondContact O-N 2.96Å; L345-L349 HydrophobicContact CD2-CD1 3.58Å; L345-L349 WeakPolarHBondContact O-CB 3.39Å; L345-L350 WeakPolarHBondContact O-CB 3.26Å; L345-L350 WeakPolarHBondContact O-CG 3.46Å; L345-L350 PolarHBondContact O-N 2.89Å
346	C	97.2	Very high	96.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-67.4	-61.8	177	-60.9	0	0	0	0	110.5	Y324 C326 M338 K342 L350 L351	Y324-C346 PolarHBondContact OH-O 3.11Å; C326-C346 HydrophobicContact CB-CB 3.78Å; C326-C346 WeakPolarHBondContact CB-SG 2.94Å; C326-C346 VanDerWaalsContact SG-CA 3.6Å; C326-C346 WeakPolarHBondContact SG-CB 3.37Å; C326-C346 CovalentContact SG-SG 2.04Å; C326-C346 PolarHBondContact SG-SG 3.2Å; M338-C346 HydrophobicContact CE-CB 4.03Å; K342-C346 PolarHBondContact O-N 3.13Å; K342-C346 PolarHBondContact O-SG 2.76Å; K342-C346 VanDerWaalsContact O-SG 3.37Å; C346-L350 PolarHBondContact O-N 3.43Å; C346-L351 WeakPolarHBondContact O-CB 3.29Å; C346-L351 PolarHBondContact O-N 3.48Å
347	D	96.2	Very high	96.2	Very high	12 Å²	12	59 Å²	59	6%	0.064	28%	0.279	C	S	.	.	I	π-helix	trans	-71.6	-48.6	-169.2	-55.2	3.3	0	0	0	112.6	R343 N352 A393	R343-D347 WeakPolarHBondContact CG-OD2 3.37Å; R343-D347 IonicContact NE-OD2 3.72Å; R343-D347 PolarHBondContact NE-OD2 2.95Å; R343-D347 VanDerWaalsContact O-CB 3.22Å; R343-D347 WeakPolarHBondContact O-CB 3.03Å; R343-D347 PolarHBondContact O-N 2.88Å; D347-N352 PolarHBondContact O-ND2 2.88Å; D347-A393 HydrophobicContact CB-CB 4.48Å
348	Q	94.8	Very high	96.2	Very high	105 Å²	105	53.4 Å²	53.4	49%	0.491	25%	0.254	S	S	.	.	I	π-helix	trans	-89.1	-28.6	-167.3	-57.6	-58.7	-48.1	0	0	112.6	H344 N352	H344-Q348 WeakPolarHBondContact O-CA 3.3Å; H344-Q348 VanDerWaalsContact O-CB 3.27Å; H344-Q348 WeakPolarHBondContact O-CB 3.37Å; H344-Q348 PolarHBondContact O-N 3.4Å; Q348-N352 PolarHBondContact O-ND2 2.72Å; Q348-N352 VanDerWaalsContact O-ND2 3.14Å
349	L	95.7	Very high	96.2	Very high	89 Å²	89	57 Å²	57	47%	0.466	27%	0.267	S	S	.	.	I	π-helix	trans	-104.8	-70.1	-179.4	-55.7	-176.9	0	0	0	111.9	H344 L345 Y353	H344-L349 PolarHBondContact O-N 3.19Å; L345-L349 HydrophobicContact CD2-CD1 3.58Å; L345-L349 WeakPolarHBondContact O-CB 3.39Å; L349-Y353 WeakPolarHBondContact O-CB 3.34Å; L349-Y353 PolarHBondContact O-N 3.06Å
350	L	96.3	Very high	96.3	Very high	32 Å²	32	57.1 Å²	57.1	17%	0.168	27%	0.268	C	S	.	.	I	π-helix	trans	-64.5	-51.4	-169.2	-68.6	175.4	0	0	0	112.5	Y324 W327 L328 L345 C346 Y353 A354	Y324-L350 HydrophobicContact CE2-CB 4.34Å; W327-L350 HydrophobicContact CH2-CD1 4.03Å; W327-L350 HydrophobicContact CH2-CD2 3.5Å; W327-L350 HydrophobicContact CH2-CG 4.43Å; W327-L350 HydrophobicContact CZ2-CD1 3.99Å; W327-L350 HydrophobicContact CZ2-CD2 3.95Å; W327-L350 HydrophobicContact CZ3-CD1 4.35Å; W327-L350 HydrophobicContact CZ3-CD2 4.22Å; L328-L350 HydrophobicContact CD1-CD1 4.32Å; L345-L350 WeakPolarHBondContact O-CB 3.26Å; L345-L350 WeakPolarHBondContact O-CG 3.46Å; L345-L350 PolarHBondContact O-N 2.89Å; C346-L350 PolarHBondContact O-N 3.43Å; L350-Y353 PolarHBondContact O-N 2.75Å; L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 3.21Å
351	L	97.4	Very high	96.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	24%	0.236	C	C	.	.	I	π-helix	trans	-61.5	-55.3	-179.5	-177.2	63.7	0	0	0	111.4	Y324 C346 Y353 A354 F355 A393 V394 A397	Y324-L351 HydrophobicContact CD1-CD1 3.88Å; Y324-L351 HydrophobicContact CD2-CD1 4.2Å; Y324-L351 HydrophobicContact CE1-CB 4.5Å; Y324-L351 HydrophobicContact CE1-CD1 3.64Å; Y324-L351 HydrophobicContact CE2-CB 4.06Å; Y324-L351 HydrophobicContact CE2-CD1 3.98Å; Y324-L351 HydrophobicContact CG-CD1 4.16Å; C346-L351 WeakPolarHBondContact O-CB 3.29Å; C346-L351 PolarHBondContact O-N 3.48Å; L351-Y353 VanDerWaalsContact C-N 3.26Å; L351-Y353 PolarHBondContact O-N 3.44Å; L351-A354 PolarHBondContact O-N 3.25Å; L351-A354 VanDerWaalsContact O-N 3.17Å; L351-F355 HydrophobicContact CD1-CD2 3.75Å; L351-F355 HydrophobicContact CD1-CE2 3.4Å; L351-F355 VanDerWaalsContact CD1-CE2 3.4Å; L351-F355 HydrophobicContact CG-CD2 4.26Å; L351-F355 HydrophobicContact CG-CE2 4.28Å; L351-F355 WeakPolarHBondContact O-CD2 3.48Å; L351-F355 PolarHBondContact O-N 3.41Å; L351-F355 VanDerWaalsContact O-N 3.07Å; L351-A393 HydrophobicContact CD2-CB 4.24Å; L351-A393 WeakPolarHBondContact CD2-O 3.32Å; L351-V394 HydrophobicContact CD1-CG2 4.09Å; L351-V394 HydrophobicContact CD2-CG2 4.47Å; L351-A397 HydrophobicContact CD1-CB 4.21Å; L351-A397 HydrophobicContact CD2-CB 3.63Å; L351-A397 HydrophobicContact CG-CB 3.86Å
352	N	96.5	Very high	96.3	Very high	54 Å²	54	46 Å²	46	29%	0.289	21%	0.212	S	C	.	.	H	α-helix	trans	-59.4	-38.5	178.7	-75.6	-24.5	0	0	0	112.1	D347 Q348 K356	D347-N352 PolarHBondContact O-ND2 2.88Å; Q348-N352 PolarHBondContact O-ND2 2.72Å; Q348-N352 VanDerWaalsContact O-ND2 3.14Å; N352-K356 WeakPolarHBondContact O-CB 3.28Å; N352-K356 PolarHBondContact O-N 2.87Å; N352-K356 VanDerWaalsContact O-N 3.09Å
353	Y	96.7	Very high	96.2	Very high	85 Å²	85	52.4 Å²	52.4	33%	0.333	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-48.7	175.4	-179.3	-88	0	0	0	111.3	F290 P292 L349 L350 L351 F355 K356 N357	F290-Y353 WeakPolarHBondContact O-CE1 3.42Å; F290-Y353 PolarHBondContact O-OH 2.84Å; P292-Y353 WeakPolarHBondContact CA-OH 3.44Å; L349-Y353 WeakPolarHBondContact O-CB 3.34Å; L349-Y353 PolarHBondContact O-N 3.06Å; L350-Y353 PolarHBondContact O-N 2.75Å; L351-Y353 VanDerWaalsContact C-N 3.26Å; L351-Y353 PolarHBondContact O-N 3.44Å; Y353-F355 PolarHBondContact O-N 3.44Å; Y353-K356 PolarHBondContact O-N 3Å; Y353-N357 HydrophobicContact CD1-CB 4.35Å; Y353-N357 HydrophobicContact CE1-CB 4Å; Y353-N357 WeakPolarHBondContact O-CB 3.35Å; Y353-N357 PolarHBondContact O-N 2.85Å
354	A	97	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-52.6	-179.4	0	0	0	0	0	111.4	I289 F290 Y324 L350 L351 K356 N357 V358	I289-A354 HydrophobicContact CD1-CB 4.5Å; F290-A354 HydrophobicContact CD1-CB 4.39Å; F290-A354 HydrophobicContact CE1-CB 3.88Å; Y324-A354 HydrophobicContact CD2-CB 4.04Å; Y324-A354 HydrophobicContact CE2-CB 4.5Å; L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 3.21Å; L351-A354 PolarHBondContact O-N 3.25Å; L351-A354 VanDerWaalsContact O-N 3.17Å; A354-K356 PolarHBondContact O-N 3.24Å; A354-N357 PolarHBondContact O-N 3.25Å; A354-V358 WeakPolarHBondContact O-CB 3.49Å; A354-V358 VanDerWaalsContact O-CG2 3.31Å; A354-V358 WeakPolarHBondContact O-CG2 3.48Å; A354-V358 PolarHBondContact O-N 3.4Å
355	F	97.4	Very high	96	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-44.7	178.7	-85	-96.4	0	0	0	112.8	L351 Y353 N357 R359 L371 A397 A398 N401 E403	L351-F355 HydrophobicContact CD1-CD2 3.75Å; L351-F355 HydrophobicContact CD1-CE2 3.4Å; L351-F355 VanDerWaalsContact CD1-CE2 3.4Å; L351-F355 HydrophobicContact CG-CD2 4.26Å; L351-F355 HydrophobicContact CG-CE2 4.28Å; L351-F355 WeakPolarHBondContact O-CD2 3.48Å; L351-F355 PolarHBondContact O-N 3.41Å; L351-F355 VanDerWaalsContact O-N 3.07Å; Y353-F355 PolarHBondContact O-N 3.44Å; F355-N357 VanDerWaalsContact C-N 3.31Å; F355-N357 PolarHBondContact O-N 3.41Å; F355-R359 WeakPolarHBondContact O-CB 3.37Å; F355-R359 PolarHBondContact O-N 2.97Å; F355-L371 HydrophobicContact CZ-CD2 3.99Å; F355-A397 HydrophobicContact CD2-CB 4.4Å; F355-A397 HydrophobicContact CE2-CB 4.14Å; F355-A397 HydrophobicContact CZ-CB 4.31Å; F355-A398 HydrophobicContact CE1-CB 4.38Å; F355-A398 HydrophobicContact CZ-CB 4.26Å; F355-N401 HydrophobicContact CD1-CB 3.53Å; F355-N401 WeakPolarHBondContact CD1-ND2 3.21Å; F355-N401 HydrophobicContact CE1-CB 4.03Å; F355-N401 HydrophobicContact CG-CB 4.48Å; F355-E403 HydrophobicContact CD1-CB 4.25Å; F355-E403 HydrophobicContact CD1-CG 4.31Å; F355-E403 HydrophobicContact CE1-CB 3.51Å; F355-E403 HydrophobicContact CE1-CG 3.62Å; F355-E403 HydrophobicContact CZ-CB 4.46Å; F355-E403 HydrophobicContact CZ-CG 4.4Å
356	K	96.6	Very high	96	Very high	149 Å²	149	41.6 Å²	41.6	65%	0.648	20%	0.204	S	C	*	.	H	α-helix	trans	-62.4	-40.7	176.8	-179.1	180	176.4	-178.7	0	111.5	N352 Y353 A354 S360	N352-K356 WeakPolarHBondContact O-CB 3.28Å; N352-K356 PolarHBondContact O-N 2.87Å; N352-K356 VanDerWaalsContact O-N 3.09Å; Y353-K356 PolarHBondContact O-N 3Å; A354-K356 PolarHBondContact O-N 3.24Å; K356-S360 PolarHBondContact O-N 3.49Å; K356-S360 PolarHBondContact O-OG 3.21Å
357	N	96.5	Very high	96	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-72.8	-44	-177.1	-160.8	40.5	0	0	0	110.8	I289 F291 Y353 A354 F355 R359 S360 I361	I289-N357 PolarHBondContact O-ND2 3.47Å; F291-N357 PolarHBondContact O-ND2 3.4Å; Y353-N357 HydrophobicContact CD1-CB 4.35Å; Y353-N357 HydrophobicContact CE1-CB 4Å; Y353-N357 WeakPolarHBondContact O-CB 3.35Å; Y353-N357 PolarHBondContact O-N 2.85Å; A354-N357 PolarHBondContact O-N 3.25Å; F355-N357 VanDerWaalsContact C-N 3.31Å; F355-N357 PolarHBondContact O-N 3.41Å; N357-R359 VanDerWaalsContact C-N 3.32Å; N357-R359 PolarHBondContact O-N 2.92Å; N357-S360 CarbonylContact O-C 3.49Å; N357-S360 WeakPolarHBondContact O-CA 3.33Å; N357-S360 WeakPolarHBondContact O-CB 3.4Å; N357-S360 PolarHBondContact O-N 3.02Å; N357-I361 WeakPolarHBondContact O-CD1 3.48Å; N357-I361 VanDerWaalsContact O-CG1 3.22Å; N357-I361 WeakPolarHBondContact O-CG1 3.29Å; N357-I361 PolarHBondContact O-N 3.35Å
358	V	96.7	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.9	-45.1	173.9	170.5	0	0	0	0	111.1	I289 L320 Y322 A354 S360 I361 V362 R369	I289-V358 HydrophobicContact CB-CG2 4.16Å; I289-V358 HydrophobicContact CG2-CG2 4.1Å; L320-V358 HydrophobicContact CD2-CG1 4.19Å; Y322-V358 HydrophobicContact CD1-CG1 3.81Å; Y322-V358 HydrophobicContact CD1-CG2 4.06Å; Y322-V358 HydrophobicContact CD2-CG2 3.86Å; Y322-V358 HydrophobicContact CE1-CB 4.34Å; Y322-V358 HydrophobicContact CE1-CG1 3.58Å; Y322-V358 HydrophobicContact CE1-CG2 4.14Å; Y322-V358 HydrophobicContact CE2-CG2 3.91Å; Y322-V358 HydrophobicContact CG-CG1 4.49Å; Y322-V358 HydrophobicContact CG-CG2 3.91Å; A354-V358 WeakPolarHBondContact O-CB 3.49Å; A354-V358 VanDerWaalsContact O-CG2 3.31Å; A354-V358 WeakPolarHBondContact O-CG2 3.48Å; A354-V358 PolarHBondContact O-N 3.4Å; V358-S360 VanDerWaalsContact C-N 3.32Å; V358-S360 PolarHBondContact O-N 2.94Å; V358-I361 WeakPolarHBondContact O-CB 3.33Å; V358-I361 PolarHBondContact O-N 2.93Å; V358-V362 PolarHBondContact O-N 3.45Å; V358-R369 HydrophobicContact CG1-CB 3.7Å; V358-R369 HydrophobicContact CG1-CG 4.35Å
359	R	95.5	Very high	96.2	Very high	80 Å²	80	36.9 Å²	36.9	30%	0.302	18%	0.182	S	C	.	.	H	α-helix	trans	-57.1	-45.5	173	178	177.3	-57.6	157.5	5.8	112.1	F355 N357 V362 Q363 N401	F355-R359 WeakPolarHBondContact O-CB 3.37Å; F355-R359 PolarHBondContact O-N 2.97Å; N357-R359 VanDerWaalsContact C-N 3.32Å; N357-R359 PolarHBondContact O-N 2.92Å; R359-V362 PolarHBondContact O-N 3.49Å; R359-Q363 WeakPolarHBondContact O-CB 3.31Å; R359-Q363 VanDerWaalsContact O-CG 3.27Å; R359-Q363 WeakPolarHBondContact O-CG 3.22Å; R359-Q363 PolarHBondContact O-N 3.44Å; R359-N401 PolarHBondContact NH2-OD1 2.96Å
360	S	95.6	Very high	96.4	Very high	39 Å²	39	32.7 Å²	32.7	27%	0.273	16%	0.16	S	C	.	.	H	α-helix	trans	-65.6	-39.2	179.4	-54.4	0	0	0	0	111.7	F293 K356 N357 V358 Q363 S364	F293-S360 WeakPolarHBondContact CZ-O 3.5Å; K356-S360 PolarHBondContact O-N 3.49Å; K356-S360 PolarHBondContact O-OG 3.21Å; N357-S360 CarbonylContact O-C 3.49Å; N357-S360 WeakPolarHBondContact O-CA 3.33Å; N357-S360 WeakPolarHBondContact O-CB 3.4Å; N357-S360 PolarHBondContact O-N 3.02Å; V358-S360 VanDerWaalsContact C-N 3.32Å; V358-S360 PolarHBondContact O-N 2.94Å; S360-Q363 PolarHBondContact O-N 2.85Å; S360-S364 PolarHBondContact O-N 3.43Å; S360-S364 VanDerWaalsContact O-N 3.15Å
361	I	95.3	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-54.8	174.9	-67.6	156.8	0	0	0	109.5	F293 P298 T300 L320 N357 V358 Q363 S364 T365	F293-I361 HydrophobicContact CE2-CG1 4.03Å; F293-I361 HydrophobicContact CZ-CG1 4.21Å; P298-I361 HydrophobicContact CB-CB 4.5Å; P298-I361 HydrophobicContact CB-CG1 4.07Å; P298-I361 HydrophobicContact CB-CG2 4.13Å; T300-I361 HydrophobicContact CG2-CD1 3.78Å; T300-I361 HydrophobicContact CG2-CG1 4.41Å; T300-I361 HydrophobicContact CG2-CG2 4.09Å; L320-I361 HydrophobicContact CD2-CB 4.28Å; L320-I361 HydrophobicContact CD2-CG2 3.71Å; N357-I361 WeakPolarHBondContact O-CD1 3.48Å; N357-I361 VanDerWaalsContact O-CG1 3.22Å; N357-I361 WeakPolarHBondContact O-CG1 3.29Å; N357-I361 PolarHBondContact O-N 3.35Å; V358-I361 WeakPolarHBondContact O-CB 3.33Å; V358-I361 PolarHBondContact O-N 2.93Å; I361-Q363 VanDerWaalsContact C-N 3.35Å; I361-Q363 PolarHBondContact O-N 3.15Å; I361-S364 CarbonylContact O-C 3.51Å; I361-S364 WeakPolarHBondContact O-CA 3.21Å; I361-S364 WeakPolarHBondContact O-CB 3.37Å; I361-S364 PolarHBondContact O-N 3.09Å; I361-T365 HydrophobicContact CG2-CG2 4.3Å; I361-T365 PolarHBondContact O-N 3.12Å; I361-T365 PolarHBondContact O-OG1 3.27Å
362	V	95.5	Very high	96.6	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-35.7	-177.6	173.7	0	0	0	0	112.5	L320 V358 R359 S364 T365 G366 G367 G368 R369	L320-V362 HydrophobicContact CB-CG2 4.05Å; L320-V362 HydrophobicContact CD2-CG2 4.1Å; V358-V362 PolarHBondContact O-N 3.45Å; R359-V362 PolarHBondContact O-N 3.49Å; V362-S364 PolarHBondContact O-N 3.05Å; V362-T365 PolarHBondContact O-N 2.87Å; V362-G366 CarbonylContact O-C 3.53Å; V362-G366 VanDerWaalsContact O-CA 3.24Å; V362-G366 WeakPolarHBondContact O-CA 3.2Å; V362-G366 PolarHBondContact O-N 3.36Å; V362-G367 WeakPolarHBondContact CG1-O 3.33Å; V362-G368 WeakPolarHBondContact CG2-O 3.24Å; V362-R369 HydrophobicContact CG2-CB 4.03Å
363	Q	94.2	Very high	96.6	Very high	146 Å²	146	28.8 Å²	28.8	68%	0.682	14%	0.139	S	C	*	.	H	α-helix	trans	-59.1	-32	170.6	-76.9	172.7	-16.6	0	0	112.6	R359 S360 I361	R359-Q363 WeakPolarHBondContact O-CB 3.31Å; R359-Q363 VanDerWaalsContact O-CG 3.27Å; R359-Q363 WeakPolarHBondContact O-CG 3.22Å; R359-Q363 PolarHBondContact O-N 3.44Å; S360-Q363 PolarHBondContact O-N 2.85Å; I361-Q363 VanDerWaalsContact C-N 3.35Å; I361-Q363 PolarHBondContact O-N 3.15Å
364	S	94.1	Very high	96.6	Very high	54 Å²	54	24.8 Å²	24.8	38%	0.378	12%	0.123	S	C	.	.	H	α-helix	trans	-83	-40.5	177.9	-175.5	0	0	0	0	113.1	S360 I361 V362	S360-S364 PolarHBondContact O-N 3.43Å; S360-S364 VanDerWaalsContact O-N 3.15Å; I361-S364 CarbonylContact O-C 3.51Å; I361-S364 WeakPolarHBondContact O-CA 3.21Å; I361-S364 WeakPolarHBondContact O-CB 3.37Å; I361-S364 PolarHBondContact O-N 3.09Å; V362-S364 PolarHBondContact O-N 3.05Å
365	T	94.5	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-89.9	-23.2	-173.3	57.3	0	0	0	0	113.4	P298 M302 R315 I361 V362	P298-T365 HydrophobicContact CG-CG2 4.04Å; M302-T365 VanDerWaalsContact O-CG2 3.26Å; M302-T365 WeakPolarHBondContact O-CG2 3.32Å; R315-T365 PolarHBondContact NE-O 2.78Å; I361-T365 HydrophobicContact CG2-CG2 4.3Å; I361-T365 PolarHBondContact O-N 3.12Å; I361-T365 PolarHBondContact O-OG1 3.27Å; V362-T365 PolarHBondContact O-N 2.87Å
366	G	95.4	Very high	96.1	Very high	9 Å²	9	28.4 Å²	28.4	9%	0.093	14%	0.143	C	C	.	.			trans	75.3	179	-157.4	0	0	0	0	0	111.6	V305 V362	V305-G366 WeakPolarHBondContact CG1-O 3.45Å; V362-G366 CarbonylContact O-C 3.53Å; V362-G366 VanDerWaalsContact O-CA 3.24Å; V362-G366 WeakPolarHBondContact O-CA 3.2Å; V362-G366 PolarHBondContact O-N 3.36Å
367	G	97.6	Very high	95.9	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	11%	0.114	C	C	.	.	S	Bend	trans	98.8	-177.5	-177.8	0	0	0	0	0	113.7	G53 R315 S318 V362	G53-G367 VanDerWaalsContact CA-O 3.23Å; G53-G367 WeakPolarHBondContact CA-O 3.15Å; R315-G367 VanDerWaalsContact O-CA 3.25Å; R315-G367 WeakPolarHBondContact O-CA 3.25Å; S318-G367 CarbonylContact O-C 3.44Å; S318-G367 WeakPolarHBondContact O-CA 3.3Å; V362-G367 WeakPolarHBondContact CG1-O 3.33Å
368	G	98.2	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-179.4	170.3	0	0	0	0	0	111.3	G53 S318 V319 L320 V362	G53-G368 VanDerWaalsContact O-CA 3.3Å; G53-G368 WeakPolarHBondContact O-CA 3.19Å; S318-G368 PolarHBondContact O-N 3.16Å; V319-G368 WeakPolarHBondContact CA-O 3.45Å; L320-G368 PolarHBondContact N-O 2.84Å; V362-G368 WeakPolarHBondContact CG2-O 3.24Å
369	R	98	Very high	95.4	Very high	17 Å²	17	22.6 Å²	22.6	6%	0.064	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149	171.6	48.7	177.7	-162.1	-103	-2.9	110.6	F55 L320 Y322 V358 V362 N401 E403	F55-R369 WeakPolarHBondContact CE2-O 3.27Å; L320-R369 WeakPolarHBondContact O-CA 3.37Å; Y322-R369 HydrophobicContact CE1-CB 4.41Å; V358-R369 HydrophobicContact CG1-CB 3.7Å; V358-R369 HydrophobicContact CG1-CG 4.35Å; V362-R369 HydrophobicContact CG2-CB 4.03Å; R369-N401 PolarHBondContact NH2-O 3.32Å; R369-E403 VanDerWaalsContact C-OE1 3.24Å; R369-E403 WeakPolarHBondContact CB-OE1 3.38Å; R369-E403 WeakPolarHBondContact CD-OE2 3.02Å; R369-E403 WeakPolarHBondContact CG-OE1 3.44Å; R369-E403 IonicContact CZ-OE2 3.68Å; R369-E403 IonicContact NE-OE1 3.75Å; R369-E403 IonicContact NE-OE2 2.65Å; R369-E403 PolarHBondContact NE-OE2 3.27Å; R369-E403 IonicContact NH2-OE2 3.91Å
370	F	98.8	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	126	178.3	-160.6	-63.7	0	0	0	109.7	F55 F65 V98 I138 L231 F281 V319 L320 Y322 T372 E403 S404 W405 T406	F55-F370 HydrophobicContact CE1-CD2 4.42Å; F55-F370 AromaticContact CE2-CD2 3.96Å; F55-F370 HydrophobicContact CE2-CD2 3.96Å; F55-F370 HydrophobicContact CZ-CB 4.24Å; F55-F370 AromaticContact CZ-CD2 3.62Å; F55-F370 HydrophobicContact CZ-CD2 3.62Å; F55-F370 HydrophobicContact CZ-CG 4.41Å; F65-F370 HydrophobicContact CB-CE2 3.83Å; F65-F370 HydrophobicContact CB-CZ 4.09Å; F65-F370 HydrophobicContact CD2-CE2 4.2Å; F65-F370 HydrophobicContact CG-CE2 4.31Å; V98-F370 HydrophobicContact CG1-CZ 3.92Å; I138-F370 HydrophobicContact CD1-CD2 4.36Å; I138-F370 HydrophobicContact CD1-CE1 4.23Å; I138-F370 HydrophobicContact CD1-CE2 3.95Å; I138-F370 HydrophobicContact CD1-CZ 3.91Å; L231-F370 HydrophobicContact CD2-CE2 4.36Å; F281-F370 HydrophobicContact CD1-CB 4.33Å; F281-F370 HydrophobicContact CE1-CB 3.66Å; F281-F370 HydrophobicContact CE1-CD1 4.46Å; F281-F370 AromaticContact CE1-CD2 3.69Å; F281-F370 HydrophobicContact CE1-CD2 3.69Å; F281-F370 HydrophobicContact CE1-CE2 4.47Å; F281-F370 AromaticContact CE1-CG 3.7Å; F281-F370 HydrophobicContact CE1-CG 3.7Å; F281-F370 HydrophobicContact CZ-CD2 4.01Å; F281-F370 HydrophobicContact CZ-CG 4.48Å; V319-F370 HydrophobicContact CG1-CB 3.7Å; L320-F370 PolarHBondContact O-N 2.64Å; Y322-F370 WeakPolarHBondContact CD1-O 3.45Å; Y322-F370 VanDerWaalsContact CE1-C 3.49Å; Y322-F370 PolarHBondContact N-O 3.33Å; Y322-F370 VanDerWaalsContact N-O 3.14Å; F370-T372 VanDerWaalsContact C-N 3.33Å; F370-T372 HydrophobicContact CB-CG2 4.27Å; F370-T372 HydrophobicContact CD1-CG2 3.53Å; F370-T372 HydrophobicContact CE1-CG2 4.19Å; F370-T372 HydrophobicContact CG-CG2 4.15Å; F370-T372 PolarHBondContact O-N 3.18Å; F370-E403 PolarHBondContact N-OE1 3.22Å; F370-S404 VanDerWaalsContact CD2-CB 3.47Å; F370-W405 VanDerWaalsContact CE1-C 3.47Å; F370-T406 HydrophobicContact CE1-CG2 3.91Å; F370-T406 HydrophobicContact CZ-CG2 4.08Å
371	L	98.8	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	82.6	171.9	177	62.4	0	0	0	109.7	Y322 F355 E373 F374 V394 E403 S404 W405 T406	Y322-L371 HydrophobicContact CD2-CD1 3.94Å; Y322-L371 HydrophobicContact CE1-CB 4.15Å; Y322-L371 HydrophobicContact CE2-CB 4.22Å; Y322-L371 HydrophobicContact CE2-CD1 3.55Å; Y322-L371 HydrophobicContact CE2-CG 4.44Å; Y322-L371 CarbonylContact O-C 3.58Å; Y322-L371 WeakPolarHBondContact O-CA 3.5Å; F355-L371 HydrophobicContact CZ-CD2 3.99Å; L371-E373 VanDerWaalsContact C-N 3.27Å; L371-E373 VanDerWaalsContact CD1-O 3.22Å; L371-E373 WeakPolarHBondContact CD1-O 3.1Å; L371-E373 PolarHBondContact O-N 2.7Å; L371-F374 HydrophobicContact CD1-CB 4.5Å; L371-F374 HydrophobicContact CD2-CB 4.29Å; L371-F374 HydrophobicContact CD2-CD1 3.89Å; L371-F374 HydrophobicContact CD2-CG 4.29Å; L371-F374 HydrophobicContact CG-CD1 4.22Å; L371-V394 HydrophobicContact CD2-CG1 3.91Å; L371-E403 HydrophobicContact CB-CG 4.07Å; L371-S404 PolarHBondContact N-O 3.41Å; L371-W405 HydrophobicContact CB-CB 4.07Å; L371-W405 HydrophobicContact CD2-CB 4.16Å; L371-W405 HydrophobicContact CG-CB 4.3Å; L371-W405 CarbonylContact O-C 3.54Å; L371-W405 WeakPolarHBondContact O-CA 3.45Å; L371-T406 PolarHBondContact O-N 3.5Å
372	T	98.7	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-18.9	-170.9	35.7	0	0	0	0	113.3	N69 F281 S321 Y322 H323 F370 T406	N69-T372 PolarHBondContact ND2-O 2.75Å; F281-T372 HydrophobicContact CD1-CG2 4.03Å; F281-T372 HydrophobicContact CE1-CG2 4.29Å; S321-T372 WeakPolarHBondContact OG-CB 3.04Å; S321-T372 VanDerWaalsContact OG-CG2 3.24Å; S321-T372 WeakPolarHBondContact OG-CG2 3.38Å; S321-T372 PolarHBondContact OG-OG1 2.93Å; Y322-T372 PolarHBondContact N-OG1 3.22Å; Y322-T372 PolarHBondContact O-N 2.97Å; Y322-T372 PolarHBondContact O-OG1 3.21Å; H323-T372 PolarHBondContact CD2-OG1 3.24Å; H323-T372 PolarHBondContact NE2-OG1 3.07Å; F370-T372 VanDerWaalsContact C-N 3.33Å; F370-T372 HydrophobicContact CB-CG2 4.27Å; F370-T372 HydrophobicContact CD1-CG2 3.53Å; F370-T372 HydrophobicContact CE1-CG2 4.19Å; F370-T372 HydrophobicContact CG-CG2 4.15Å; F370-T372 PolarHBondContact O-N 3.18Å; T372-T406 CarbonylContact C-O 3.5Å; T372-T406 WeakPolarHBondContact CA-OG1 3.42Å; T372-T406 WeakPolarHBondContact O-CB 3.49Å; T372-T406 VanDerWaalsContact O-O 3.12Å; T372-T406 PolarHBondContact O-OG1 3.33Å
373	E	97.8	Very high	94.8	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.028	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	141.3	168.1	-60.4	-175.6	-168.3	0	0	112.8	R100 H142 N237 H323 Y324 Y325 L371 T406 W408	R100-E373 IonicContact CZ-OE1 2.83Å; R100-E373 IonicContact NH1-OE1 3.09Å; R100-E373 PolarHBondContact NH1-OE1 3.13Å; R100-E373 IonicContact NH2-OE1 3.92Å; H142-E373 IonicContact CE1-OE1 3.36Å; N237-E373 PolarHBondContact OD1-OE1 2.76Å; N237-E373 VanDerWaalsContact OD1-OE1 3.04Å; H323-E373 CarbonylContact C-O 3.57Å; H323-E373 VanDerWaalsContact CA-O 3.24Å; H323-E373 WeakPolarHBondContact CA-O 3.36Å; H323-E373 HydrophobicContact CB-CB 4Å; H323-E373 VanDerWaalsContact CD2-CB 3.48Å; H323-E373 WeakPolarHBondContact CD2-CB 3.38Å; H323-E373 PolarHBondContact CD2-N 2.99Å; H323-E373 VanDerWaalsContact CD2-N 3.32Å; H323-E373 IonicContact CE1-OE1 3.89Å; H323-E373 PolarHBondContact CE1-OE1 3.37Å; H323-E373 IonicContact CE1-OE2 3.39Å; H323-E373 IonicContact ND1-OE2 2.69Å; H323-E373 WeakPolarHBondContact NE2-CG 3.42Å; H323-E373 IonicContact NE2-OE1 2.67Å; Y324-E373 PolarHBondContact N-O 3.33Å; Y325-E373 HydrophobicContact CE2-CB 4.1Å; Y325-E373 PolarHBondContact OH-OE2 3.43Å; L371-E373 VanDerWaalsContact C-N 3.27Å; L371-E373 VanDerWaalsContact CD1-O 3.22Å; L371-E373 WeakPolarHBondContact CD1-O 3.1Å; L371-E373 PolarHBondContact O-N 2.7Å; E373-T406 WeakPolarHBondContact CA-O 3.36Å; E373-W408 HydrophobicContact CG-CE3 4.19Å
374	F	97	Very high	94.8	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	159.4	157.7	70.7	-79.1	0	0	0	108.2	Y324 L371 V394 L395 W405 Y407 W408 F427	Y324-F374 WeakPolarHBondContact O-CA 3.43Å; Y324-F374 VanDerWaalsContact O-CB 3.22Å; Y324-F374 WeakPolarHBondContact O-CB 3.34Å; L371-F374 HydrophobicContact CD1-CB 4.5Å; L371-F374 HydrophobicContact CD2-CB 4.29Å; L371-F374 HydrophobicContact CD2-CD1 3.89Å; L371-F374 HydrophobicContact CD2-CG 4.29Å; L371-F374 HydrophobicContact CG-CD1 4.22Å; F374-V394 HydrophobicContact CB-CG1 4.11Å; F374-V394 HydrophobicContact CD1-CG1 4.31Å; F374-V394 HydrophobicContact CD2-CB 4.08Å; F374-V394 HydrophobicContact CD2-CG1 3.62Å; F374-V394 HydrophobicContact CD2-CG2 4.47Å; F374-V394 HydrophobicContact CE2-CB 4.38Å; F374-V394 HydrophobicContact CE2-CG1 4.07Å; F374-V394 HydrophobicContact CG-CG1 3.74Å; F374-L395 HydrophobicContact CZ-CD2 3.85Å; F374-L395 HydrophobicContact CZ-CG 4.34Å; F374-W405 HydrophobicContact CD1-CB 4.46Å; F374-W405 HydrophobicContact CE1-CB 4.06Å; F374-W405 HydrophobicContact CE1-CD2 4.03Å; F374-W405 AromaticContact CE1-CE3 3.67Å; F374-W405 HydrophobicContact CE1-CE3 3.67Å; F374-W405 HydrophobicContact CE1-CG 4.23Å; F374-W405 HydrophobicContact CE1-CZ3 4.46Å; F374-W405 HydrophobicContact CZ-CD2 4.46Å; F374-W405 HydrophobicContact CZ-CE3 4.07Å; F374-W405 HydrophobicContact CZ-CZ3 4.47Å; F374-Y407 HydrophobicContact CD2-CD2 4.04Å; F374-Y407 HydrophobicContact CE1-CD2 4.33Å; F374-Y407 AromaticContact CE2-CD2 3.63Å; F374-Y407 HydrophobicContact CE2-CD2 3.63Å; F374-Y407 HydrophobicContact CE2-CE2 4.38Å; F374-Y407 HydrophobicContact CE2-CG 4.46Å; F374-Y407 AromaticContact CZ-CD2 3.79Å; F374-Y407 HydrophobicContact CZ-CD2 3.79Å; F374-Y407 HydrophobicContact CZ-CG 4.19Å; F374-Y407 VanDerWaalsContact O-CD2 3.31Å; F374-Y407 WeakPolarHBondContact O-CD2 3.13Å; F374-W408 PolarHBondContact O-N 2.9Å; F374-F427 HydrophobicContact CE2-CE1 4.15Å; F374-F427 AromaticContact CZ-CE1 3.98Å; F374-F427 HydrophobicContact CZ-CE1 3.98Å
375	G	93.6	Very high	94.9	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.031	14%	0.14	C	C	.	.			trans	-177.9	-144.9	-177.2	0	0	0	0	0	112.7	C377	G375-C377 PolarHBondContact O-N 3.2Å
376	L	89.4	Confident	95	Very high	74 Å²	74	23.2 Å²	23.2	39%	0.387	14%	0.14	S	C	.	.	S	Bend	trans	60.3	21.4	-168.5	-56.8	172.1	0	0	0	113.7	Y325 E330	Y325-L376 HydrophobicContact CD1-CD1 4.06Å; Y325-L376 HydrophobicContact CD1-CG 3.87Å; E330-L376 HydrophobicContact CG-CD1 3.47Å; E330-L376 VanDerWaalsContact CG-CD1 3.47Å; E330-L376 HydrophobicContact CG-CD2 4.34Å
377	C	92.2	Very high	95	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	14%	0.14	C	C	.	.			trans	-150.9	139.4	179	66	0	0	0	0	109.2	G375 N387 E390 C391 Y407	G375-C377 PolarHBondContact O-N 3.2Å; C377-N387 WeakPolarHBondContact CB-O 3.22Å; C377-E390 HydrophobicContact CB-CB 3.97Å; C377-E390 HydrophobicContact CB-CG 4.16Å; C377-C391 HydrophobicContact CB-CB 3.86Å; C377-C391 WeakPolarHBondContact CB-SG 3.43Å; C377-C391 PolarHBondContact O-SG 2.78Å; C377-C391 WeakPolarHBondContact SG-CA 3.47Å; C377-C391 WeakPolarHBondContact SG-CB 3.47Å; C377-C391 PolarHBondContact SG-N 3.25Å; C377-C391 VanDerWaalsContact SG-N 3.39Å; C377-C391 CovalentContact SG-SG 2.04Å; C377-C391 PolarHBondContact SG-SG 2.93Å; C377-Y407 WeakPolarHBondContact O-CE2 3.27Å; C377-Y407 PolarHBondContact O-OH 3.02Å
378	L	92	Very high	94.9	Very high	29 Å²	29	24.1 Å²	24.1	15%	0.152	14%	0.143	C	C	.	.			trans	-145.2	103.7	171.4	178.3	64.3	0	0	0	108.1	D380 N387 E412 L413 F427	L378-D380 PolarHBondContact O-N 2.7Å; L378-N387 PolarHBondContact N-OD1 3.34Å; L378-N387 WeakPolarHBondContact O-CB 3.09Å; L378-N387 PolarHBondContact O-ND2 2.93Å; L378-N387 PolarHBondContact O-OD1 2.77Å; L378-E412 HydrophobicContact CD2-CB 4.06Å; L378-E412 WeakPolarHBondContact CD2-OE2 3.39Å; L378-L413 HydrophobicContact CD1-CB 4.21Å; L378-L413 HydrophobicContact CD1-CD1 4.22Å; L378-L413 HydrophobicContact CD1-CD2 4.41Å; L378-F427 HydrophobicContact CD1-CE2 4.32Å
379	P	92.1	Very high	94.8	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.019	15%	0.147	C	C	.	.			trans	-55.3	123	-170.1	-28.6	37.4	0	0	0	112.8	T388 C391 S423 S426 F427	P379-T388 HydrophobicContact CB-CG2 4.47Å; P379-C391 HydrophobicContact CG-CB 3.7Å; P379-S423 WeakPolarHBondContact O-CA 3.37Å; P379-S423 VanDerWaalsContact O-CB 3.3Å; P379-S423 WeakPolarHBondContact O-CB 3.32Å; P379-S423 PolarHBondContact O-N 3.09Å; P379-S423 PolarHBondContact O-OG 3.04Å; P379-S426 WeakPolarHBondContact CG-OG 3.38Å; P379-F427 HydrophobicContact CG-CE2 4.42Å
380	D	91.1	Very high	94.7	Very high	56 Å²	56	24 Å²	24	30%	0.299	15%	0.145	S	C	.	.			trans	-108.2	9.1	-169	55.2	14.8	0	0	0	113.1	L378 N382 S385 N387 T388	L378-D380 PolarHBondContact O-N 2.7Å; D380-N382 VanDerWaalsContact C-N 3.25Å; D380-N382 PolarHBondContact O-N 3.38Å; D380-N382 WeakPolarHBondContact OD1-CB 3.46Å; D380-N382 PolarHBondContact OD1-N 3.34Å; D380-N382 VanDerWaalsContact OD1-N 3.11Å; D380-S385 PolarHBondContact OD1-OG 3.01Å; D380-S385 PolarHBondContact OD2-OG 2.95Å; D380-N387 PolarHBondContact OD2-ND2 3.1Å; D380-T388 PolarHBondContact N-OG1 3.36Å; D380-T388 PolarHBondContact OD1-OG1 2.66Å
381	G	89.4	Confident	94.5	Very high	43 Å²	43	24 Å²	24	44%	0.443	15%	0.145	S	C	.	.	S	Bend	trans	83.2	-7.5	-177.2	0	0	0	0	0	114.5	P383 I422	G381-P383 WeakPolarHBondContact O-CD 3.42Å; G381-I422 VanDerWaalsContact CA-CD1 3.49Å
382	N	94.1	Very high	94.5	Very high	67 Å²	67	25 Å²	25	36%	0.358	15%	0.15	S	C	.	.			trans	-86.7	113	168.9	178.2	5.5	0	0	0	109.2	D380 D384 S385 T388	D380-N382 VanDerWaalsContact C-N 3.25Å; D380-N382 PolarHBondContact O-N 3.38Å; D380-N382 WeakPolarHBondContact OD1-CB 3.46Å; D380-N382 PolarHBondContact OD1-N 3.34Å; D380-N382 VanDerWaalsContact OD1-N 3.11Å; N382-D384 PolarHBondContact O-N 3.37Å; N382-D384 VanDerWaalsContact O-N 3.13Å; N382-D384 PolarHBondContact OD1-N 3.31Å; N382-D384 VanDerWaalsContact OD1-N 3.14Å; N382-S385 PolarHBondContact O-N 3.33Å; N382-S385 PolarHBondContact O-OG 3.07Å; N382-T388 WeakPolarHBondContact O-CB 3.49Å; N382-T388 PolarHBondContact O-OG1 3.1Å
383	P	93.9	Very high	94.4	Very high	82 Å²	82	25.6 Å²	25.6	53%	0.532	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.2	-176.5	27.6	-35.9	0	0	0	113.9	G381 V389	G381-P383 WeakPolarHBondContact O-CD 3.42Å; P383-V389 VanDerWaalsContact O-CG2 3.23Å; P383-V389 WeakPolarHBondContact O-CG2 3.46Å
384	D	95.1	Very high	94.4	Very high	89 Å²	89	25.4 Å²	25.4	48%	0.476	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-5.5	-177	-60.4	-45.5	0	0	0	113.5	H337 M338 N382	H337-D384 CarbonylContact C-O 3.6Å; H337-D384 VanDerWaalsContact CA-O 3.3Å; H337-D384 WeakPolarHBondContact CA-O 3.34Å; M338-D384 PolarHBondContact N-O 3.05Å; N382-D384 PolarHBondContact O-N 3.37Å; N382-D384 VanDerWaalsContact O-N 3.13Å; N382-D384 PolarHBondContact OD1-N 3.31Å; N382-D384 VanDerWaalsContact OD1-N 3.14Å
385	S	96.2	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-70.1	150.7	178.8	66.1	0	0	0	0	111.6	E336 D380 N382 N387 T388 V389	E336-S385 CarbonylContact O-C 3.4Å; E336-S385 WeakPolarHBondContact O-CA 3.3Å; D380-S385 PolarHBondContact OD1-OG 3.01Å; D380-S385 PolarHBondContact OD2-OG 2.95Å; N382-S385 PolarHBondContact O-N 3.33Å; N382-S385 PolarHBondContact O-OG 3.07Å; S385-N387 PolarHBondContact O-N 2.95Å; S385-N387 WeakPolarHBondContact OG-CB 3.34Å; S385-T388 PolarHBondContact O-N 2.65Å; S385-T388 VanDerWaalsContact O-N 3.17Å; S385-T388 PolarHBondContact OG-N 2.82Å; S385-T388 PolarHBondContact OG-OG1 2.79Å; S385-V389 WeakPolarHBondContact O-CB 3.44Å; S385-V389 VanDerWaalsContact O-CG2 3.27Å; S385-V389 WeakPolarHBondContact O-CG2 3.46Å; S385-V389 PolarHBondContact O-N 3.06Å
386	I	95.9	Very high	94.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-53.4	-42.7	171.6	-69.6	166.4	0	0	0	110.3	L329 T332 A334 E336 M338 T388 V389 E390	L329-I386 HydrophobicContact CB-CG2 4.25Å; L329-I386 HydrophobicContact CD1-CG2 3.91Å; L329-I386 HydrophobicContact CD2-CD1 4.45Å; L329-I386 HydrophobicContact CD2-CG1 4.45Å; L329-I386 HydrophobicContact CD2-CG2 4.01Å; L329-I386 HydrophobicContact CG-CG2 4.27Å; T332-I386 HydrophobicContact CG2-CD1 3.52Å; A334-I386 HydrophobicContact CB-CG2 4.3Å; A334-I386 WeakPolarHBondContact O-CB 3.26Å; A334-I386 PolarHBondContact O-N 3.05Å; E336-I386 PolarHBondContact O-N 3.39Å; M338-I386 HydrophobicContact CB-CG1 3.73Å; M338-I386 HydrophobicContact CG-CG1 3.96Å; I386-T388 PolarHBondContact O-N 3.14Å; I386-V389 PolarHBondContact O-N 2.88Å; I386-E390 WeakPolarHBondContact O-CB 3.41Å; I386-E390 PolarHBondContact O-N 2.6Å
387	N	94.4	Very high	95.1	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-46.7	-54.7	173.5	-92.1	-26.4	0	0	0	113.3	A334 C377 L378 D380 S385 C391	A334-N387 WeakPolarHBondContact CB-OD1 3.18Å; A334-N387 WeakPolarHBondContact O-CB 3.15Å; A334-N387 PolarHBondContact O-N 2.67Å; A334-N387 PolarHBondContact O-ND2 3.34Å; C377-N387 WeakPolarHBondContact CB-O 3.22Å; L378-N387 PolarHBondContact N-OD1 3.34Å; L378-N387 WeakPolarHBondContact O-CB 3.09Å; L378-N387 PolarHBondContact O-ND2 2.93Å; L378-N387 PolarHBondContact O-OD1 2.77Å; D380-N387 PolarHBondContact OD2-ND2 3.1Å; S385-N387 PolarHBondContact O-N 2.95Å; S385-N387 WeakPolarHBondContact OG-CB 3.34Å; N387-C391 WeakPolarHBondContact O-CB 3.32Å
388	T	95.4	Very high	95.4	Very high	13 Å²	13	23.9 Å²	23.9	8%	0.08	15%	0.145	C	C	.	.	H	α-helix	trans	-80.5	-42	-175.7	-57.3	0	0	0	0	111.5	P379 D380 N382 S385 I386 N392	P379-T388 HydrophobicContact CB-CG2 4.47Å; D380-T388 PolarHBondContact N-OG1 3.36Å; D380-T388 PolarHBondContact OD1-OG1 2.66Å; N382-T388 WeakPolarHBondContact O-CB 3.49Å; N382-T388 PolarHBondContact O-OG1 3.1Å; S385-T388 PolarHBondContact O-N 2.65Å; S385-T388 VanDerWaalsContact O-N 3.17Å; S385-T388 PolarHBondContact OG-N 2.82Å; S385-T388 PolarHBondContact OG-OG1 2.79Å; I386-T388 PolarHBondContact O-N 3.14Å; T388-N392 WeakPolarHBondContact CG2-ND2 3.46Å; T388-N392 VanDerWaalsContact O-CB 3.25Å; T388-N392 WeakPolarHBondContact O-CB 3.33Å; T388-N392 VanDerWaalsContact O-CG 3.25Å; T388-N392 PolarHBondContact O-N 3.03Å; T388-N392 VanDerWaalsContact O-N 3.1Å; T388-N392 PolarHBondContact O-ND2 3.31Å
389	V	96.4	Very high	95.7	Very high	15 Å²	15	22.7 Å²	22.7	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-49.8	-175.6	179.9	0	0	0	0	111.3	M338 R343 P383 S385 I386 A393	M338-V389 HydrophobicContact CB-CB 4.32Å; M338-V389 HydrophobicContact CB-CG2 4.41Å; M338-V389 HydrophobicContact SD-CB 3.73Å; M338-V389 HydrophobicContact SD-CG1 3.28Å; M338-V389 WeakPolarHBondContact SD-CG1 3.42Å; R343-V389 HydrophobicContact CG-CG1 4.11Å; P383-V389 VanDerWaalsContact O-CG2 3.23Å; P383-V389 WeakPolarHBondContact O-CG2 3.46Å; S385-V389 WeakPolarHBondContact O-CB 3.44Å; S385-V389 VanDerWaalsContact O-CG2 3.27Å; S385-V389 WeakPolarHBondContact O-CG2 3.46Å; S385-V389 PolarHBondContact O-N 3.06Å; I386-V389 PolarHBondContact O-N 2.88Å; V389-A393 VanDerWaalsContact O-CB 3.3Å; V389-A393 WeakPolarHBondContact O-CB 3.32Å; V389-A393 PolarHBondContact O-N 2.9Å
390	E	96.5	Very high	96	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-49.2	-177.3	179.1	66.8	-175.5	0	0	111.3	Y324 C326 L329 C377 I386 N392 A393 V394	Y324-E390 WeakPolarHBondContact CE1-OE1 3.26Å; C326-E390 WeakPolarHBondContact CB-OE1 3.29Å; L329-E390 HydrophobicContact CD1-CB 3.84Å; L329-E390 VanDerWaalsContact CD1-CD 3.44Å; L329-E390 HydrophobicContact CD1-CG 3.54Å; L329-E390 WeakPolarHBondContact CD1-OE2 3.16Å; C377-E390 HydrophobicContact CB-CB 3.97Å; C377-E390 HydrophobicContact CB-CG 4.16Å; I386-E390 WeakPolarHBondContact O-CB 3.41Å; I386-E390 PolarHBondContact O-N 2.6Å; E390-N392 VanDerWaalsContact C-N 3.34Å; E390-N392 PolarHBondContact O-N 3.02Å; E390-A393 WeakPolarHBondContact O-CB 3.32Å; E390-A393 PolarHBondContact O-N 2.76Å; E390-A393 VanDerWaalsContact O-N 3.09Å; E390-V394 WeakPolarHBondContact O-CG2 3.45Å; E390-V394 PolarHBondContact O-N 3.39Å
391	C	95.7	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-44.8	-179.3	-94.3	0	0	0	0	111.5	C377 P379 N387 A393 V394 L395	C377-C391 HydrophobicContact CB-CB 3.86Å; C377-C391 WeakPolarHBondContact CB-SG 3.43Å; C377-C391 PolarHBondContact O-SG 2.78Å; C377-C391 WeakPolarHBondContact SG-CA 3.47Å; C377-C391 WeakPolarHBondContact SG-CB 3.47Å; C377-C391 PolarHBondContact SG-N 3.25Å; C377-C391 VanDerWaalsContact SG-N 3.39Å; C377-C391 CovalentContact SG-SG 2.04Å; C377-C391 PolarHBondContact SG-SG 2.93Å; P379-C391 HydrophobicContact CG-CB 3.7Å; N387-C391 WeakPolarHBondContact O-CB 3.32Å; C391-A393 VanDerWaalsContact C-N 3.32Å; C391-A393 PolarHBondContact O-N 3.1Å; C391-V394 PolarHBondContact O-N 2.96Å; C391-L395 WeakPolarHBondContact O-CB 3.25Å; C391-L395 WeakPolarHBondContact O-CD1 3.47Å; C391-L395 WeakPolarHBondContact O-CG 3.45Å; C391-L395 PolarHBondContact O-N 3.25Å
392	N	96.9	Very high	96.6	Very high	21 Å²	21	25.8 Å²	25.8	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-35	176.5	-72.5	-22.4	0	0	0	111.7	T388 E390 N396 S426	T388-N392 WeakPolarHBondContact CG2-ND2 3.46Å; T388-N392 VanDerWaalsContact O-CB 3.25Å; T388-N392 WeakPolarHBondContact O-CB 3.33Å; T388-N392 VanDerWaalsContact O-CG 3.25Å; T388-N392 PolarHBondContact O-N 3.03Å; T388-N392 VanDerWaalsContact O-N 3.1Å; T388-N392 PolarHBondContact O-ND2 3.31Å; E390-N392 VanDerWaalsContact C-N 3.34Å; E390-N392 PolarHBondContact O-N 3.02Å; N392-N396 WeakPolarHBondContact O-CB 3.31Å; N392-N396 PolarHBondContact O-N 3.11Å; N392-N396 PolarHBondContact O-ND2 3.09Å; N392-S426 VanDerWaalsContact OD1-CB 3.27Å; N392-S426 WeakPolarHBondContact OD1-CB 3.45Å; N392-S426 PolarHBondContact OD1-OG 3.47Å
393	A	97.6	Very high	96.8	Very high	11 Å²	11	22.7 Å²	22.7	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-48.6	175.7	0	0	0	0	0	111.7	D347 L351 V389 E390 C391 A397	D347-A393 HydrophobicContact CB-CB 4.48Å; L351-A393 HydrophobicContact CD2-CB 4.24Å; L351-A393 WeakPolarHBondContact CD2-O 3.32Å; V389-A393 VanDerWaalsContact O-CB 3.3Å; V389-A393 WeakPolarHBondContact O-CB 3.32Å; V389-A393 PolarHBondContact O-N 2.9Å; E390-A393 WeakPolarHBondContact O-CB 3.32Å; E390-A393 PolarHBondContact O-N 2.76Å; E390-A393 VanDerWaalsContact O-N 3.09Å; C391-A393 VanDerWaalsContact C-N 3.32Å; C391-A393 PolarHBondContact O-N 3.1Å; A393-A397 WeakPolarHBondContact O-CB 3.38Å; A393-A397 PolarHBondContact O-N 3.27Å
394	V	98.3	Very high	97.1	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-47.4	177.9	179.3	0	0	0	0	111.1	Y324 L351 L371 F374 E390 C391 A397 A398	Y324-V394 HydrophobicContact CD1-CG2 3.84Å; Y324-V394 HydrophobicContact CE1-CG2 3.67Å; L351-V394 HydrophobicContact CD1-CG2 4.09Å; L351-V394 HydrophobicContact CD2-CG2 4.47Å; L371-V394 HydrophobicContact CD2-CG1 3.91Å; F374-V394 HydrophobicContact CB-CG1 4.11Å; F374-V394 HydrophobicContact CD1-CG1 4.31Å; F374-V394 HydrophobicContact CD2-CB 4.08Å; F374-V394 HydrophobicContact CD2-CG1 3.62Å; F374-V394 HydrophobicContact CD2-CG2 4.47Å; F374-V394 HydrophobicContact CE2-CB 4.38Å; F374-V394 HydrophobicContact CE2-CG1 4.07Å; F374-V394 HydrophobicContact CG-CG1 3.74Å; E390-V394 WeakPolarHBondContact O-CG2 3.45Å; E390-V394 PolarHBondContact O-N 3.39Å; C391-V394 PolarHBondContact O-N 2.96Å; V394-A397 CarbonylContact O-C 3.58Å; V394-A397 WeakPolarHBondContact O-CB 3.3Å; V394-A397 PolarHBondContact O-N 3.47Å; V394-A397 VanDerWaalsContact O-N 3.16Å; V394-A398 PolarHBondContact O-N 3.02Å
395	L	98.1	Very high	97.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-43.2	179.6	-69.4	167.6	0	0	0	112.2	F374 C391 A397 A398 D399 W405 S426 F427	F374-L395 HydrophobicContact CZ-CD2 3.85Å; F374-L395 HydrophobicContact CZ-CG 4.34Å; C391-L395 WeakPolarHBondContact O-CB 3.25Å; C391-L395 WeakPolarHBondContact O-CD1 3.47Å; C391-L395 WeakPolarHBondContact O-CG 3.45Å; C391-L395 PolarHBondContact O-N 3.25Å; L395-A397 VanDerWaalsContact C-N 3.29Å; L395-A397 PolarHBondContact O-N 3.35Å; L395-A398 PolarHBondContact O-N 3.11Å; L395-D399 PolarHBondContact O-N 2.74Å; L395-W405 HydrophobicContact CD2-CD2 4.08Å; L395-W405 HydrophobicContact CD2-CE3 4.45Å; L395-W405 HydrophobicContact CD2-CH2 3.96Å; L395-W405 HydrophobicContact CD2-CZ2 3.53Å; L395-W405 HydrophobicContact CD2-CZ3 4.4Å; L395-S426 WeakPolarHBondContact CD1-O 3.46Å; L395-F427 HydrophobicContact CD1-CD1 3.99Å; L395-F427 HydrophobicContact CD1-CE1 4.22Å; L395-F427 HydrophobicContact CD2-CD1 4.34Å
396	N	98.2	Very high	97.3	Very high	50 Å²	50	14.7 Å²	14.7	27%	0.267	7%	0.071	S	C	.	.	H	α-helix	trans	-64.4	-35.2	174.6	-70.1	-24.5	0	0	0	111.5	N392 R400 R429	N392-N396 WeakPolarHBondContact O-CB 3.31Å; N392-N396 PolarHBondContact O-N 3.11Å; N392-N396 PolarHBondContact O-ND2 3.09Å; N396-R400 VanDerWaalsContact O-CG 3.32Å; N396-R400 WeakPolarHBondContact O-CG 3.39Å; N396-R400 PolarHBondContact O-N 3.09Å; N396-R400 VanDerWaalsContact O-N 3.08Å; N396-R400 PolarHBondContact O-NH1 3.05Å; N396-R429 PolarHBondContact OD1-NH2 2.62Å
397	A	98.2	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-69	-39.5	174.4	0	0	0	0	0	111.7	L351 F355 A393 V394 L395 R400 N401	L351-A397 HydrophobicContact CD1-CB 4.21Å; L351-A397 HydrophobicContact CD2-CB 3.63Å; L351-A397 HydrophobicContact CG-CB 3.86Å; F355-A397 HydrophobicContact CD2-CB 4.4Å; F355-A397 HydrophobicContact CE2-CB 4.14Å; F355-A397 HydrophobicContact CZ-CB 4.31Å; A393-A397 WeakPolarHBondContact O-CB 3.38Å; A393-A397 PolarHBondContact O-N 3.27Å; V394-A397 CarbonylContact O-C 3.58Å; V394-A397 WeakPolarHBondContact O-CB 3.3Å; V394-A397 PolarHBondContact O-N 3.47Å; V394-A397 VanDerWaalsContact O-N 3.16Å; L395-A397 VanDerWaalsContact C-N 3.29Å; L395-A397 PolarHBondContact O-N 3.35Å; A397-R400 PolarHBondContact O-N 2.67Å; A397-N401 WeakPolarHBondContact O-CB 3.41Å; A397-N401 PolarHBondContact O-N 3.28Å; A397-N401 PolarHBondContact O-ND2 3.32Å
398	A	98.5	Very high	97.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-60.3	-47.6	174.4	0	0	0	0	0	111.4	F355 V394 L395 R400 N401 F402 E403	F355-A398 HydrophobicContact CE1-CB 4.38Å; F355-A398 HydrophobicContact CZ-CB 4.26Å; V394-A398 PolarHBondContact O-N 3.02Å; L395-A398 PolarHBondContact O-N 3.11Å; A398-R400 PolarHBondContact O-N 3.42Å; A398-N401 CarbonylContact O-C 3.57Å; A398-N401 PolarHBondContact O-N 3.48Å; A398-N401 VanDerWaalsContact O-N 3.13Å; A398-F402 PolarHBondContact O-N 3.47Å; A398-E403 HydrophobicContact CB-CB 4.18Å; A398-E403 PolarHBondContact O-N 2.84Å
399	D	98.4	Very high	96.8	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-55	-53.6	174.5	-74.9	-16.2	0	0	0	111.4	H66 L395 N401 F402 R429 L442	H66-D399 IonicContact CE1-OD1 2.99Å; L395-D399 PolarHBondContact O-N 2.74Å; D399-N401 PolarHBondContact O-N 2.95Å; D399-N401 VanDerWaalsContact O-N 3.12Å; D399-F402 PolarHBondContact O-N 2.88Å; D399-F402 VanDerWaalsContact O-N 3.13Å; D399-R429 IonicContact OD1-NE 2.73Å; D399-R429 IonicContact OD2-CZ 3.83Å; D399-R429 VanDerWaalsContact OD2-CZ 3.22Å; D399-R429 IonicContact OD2-NE 3.22Å; D399-R429 PolarHBondContact OD2-NE 3.14Å; D399-R429 IonicContact OD2-NH2 3.96Å; D399-R429 PolarHBondContact OD2-NH2 3.05Å; D399-L442 HydrophobicContact CB-CD2 4.12Å; D399-L442 HydrophobicContact CB-CG 3.99Å
400	R	97.6	Very high	95.9	Very high	123 Å²	123	17.8 Å²	17.8	46%	0.464	9%	0.09	S	C	.	.	H	α-helix	trans	-59.2	-26.9	179.2	-74.8	-169.4	-54.1	-86.7	3.1	113.7	N396 A397 A398	N396-R400 VanDerWaalsContact O-CG 3.32Å; N396-R400 WeakPolarHBondContact O-CG 3.39Å; N396-R400 PolarHBondContact O-N 3.09Å; N396-R400 VanDerWaalsContact O-N 3.08Å; N396-R400 PolarHBondContact O-NH1 3.05Å; A397-R400 PolarHBondContact O-N 2.67Å; A398-R400 PolarHBondContact O-N 3.42Å
401	N	97.2	Very high	94.5	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-102.3	1.3	-176.9	-71.9	-74.1	0	0	0	113.7	F355 R359 R369 A397 A398 D399 E403	F355-N401 HydrophobicContact CD1-CB 3.53Å; F355-N401 WeakPolarHBondContact CD1-ND2 3.21Å; F355-N401 HydrophobicContact CE1-CB 4.03Å; F355-N401 HydrophobicContact CG-CB 4.48Å; R359-N401 PolarHBondContact NH2-OD1 2.96Å; R369-N401 PolarHBondContact NH2-O 3.32Å; A397-N401 WeakPolarHBondContact O-CB 3.41Å; A397-N401 PolarHBondContact O-N 3.28Å; A397-N401 PolarHBondContact O-ND2 3.32Å; A398-N401 CarbonylContact O-C 3.57Å; A398-N401 PolarHBondContact O-N 3.48Å; A398-N401 VanDerWaalsContact O-N 3.13Å; D399-N401 PolarHBondContact O-N 2.95Å; D399-N401 VanDerWaalsContact O-N 3.12Å; N401-E403 HydrophobicContact CB-CB 4.43Å; N401-E403 PolarHBondContact O-N 3.26Å
402	F	97.2	Very high	92.7	Very high	24 Å²	24	27.1 Å²	27.1	11%	0.105	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	42.9	-171.4	-66	-76.9	0	0	0	112.3	Y54 A398 D399 P439 Q441 L442 Y453	Y54-F402 HydrophobicContact CE1-CB 3.9Å; A398-F402 PolarHBondContact O-N 3.47Å; D399-F402 PolarHBondContact O-N 2.88Å; D399-F402 VanDerWaalsContact O-N 3.13Å; F402-P439 HydrophobicContact CD1-CB 3.56Å; F402-P439 HydrophobicContact CD1-CG 4.2Å; F402-P439 HydrophobicContact CD2-CB 3.96Å; F402-P439 HydrophobicContact CE1-CB 3.26Å; F402-P439 HydrophobicContact CE1-CG 4.27Å; F402-P439 HydrophobicContact CE2-CB 3.69Å; F402-P439 HydrophobicContact CG-CB 3.88Å; F402-P439 HydrophobicContact CZ-CB 3.3Å; F402-Q441 VanDerWaalsContact CZ-C 3.47Å; F402-L442 HydrophobicContact CD1-CB 4.13Å; F402-L442 HydrophobicContact CD1-CD2 4.13Å; F402-L442 HydrophobicContact CE1-CB 3.33Å; F402-L442 HydrophobicContact CE1-CD2 4.04Å; F402-L442 HydrophobicContact CE1-CG 4.32Å; F402-L442 HydrophobicContact CZ-CB 3.63Å; F402-Y453 HydrophobicContact CE1-CD2 4.26Å; F402-Y453 AromaticContact CE1-CE2 3.66Å; F402-Y453 HydrophobicContact CE1-CE2 3.66Å; F402-Y453 HydrophobicContact CZ-CE2 4.07Å
403	E	98.3	Very high	91	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	13%	0.125	C	C	.	.			trans	-94.3	127.6	-175.2	-162.8	69	-141.5	0	0	110.4	Y322 F355 R369 F370 L371 A398 N401	Y322-E403 WeakPolarHBondContact CE1-OE1 3.49Å; Y322-E403 VanDerWaalsContact OH-CD 3.29Å; Y322-E403 VanDerWaalsContact OH-CG 3.31Å; Y322-E403 WeakPolarHBondContact OH-CG 3.26Å; F355-E403 HydrophobicContact CD1-CB 4.25Å; F355-E403 HydrophobicContact CD1-CG 4.31Å; F355-E403 HydrophobicContact CE1-CB 3.51Å; F355-E403 HydrophobicContact CE1-CG 3.62Å; F355-E403 HydrophobicContact CZ-CB 4.46Å; F355-E403 HydrophobicContact CZ-CG 4.4Å; R369-E403 VanDerWaalsContact C-OE1 3.24Å; R369-E403 WeakPolarHBondContact CB-OE1 3.38Å; R369-E403 WeakPolarHBondContact CD-OE2 3.02Å; R369-E403 WeakPolarHBondContact CG-OE1 3.44Å; R369-E403 IonicContact CZ-OE2 3.68Å; R369-E403 IonicContact NE-OE1 3.75Å; R369-E403 IonicContact NE-OE2 2.65Å; R369-E403 PolarHBondContact NE-OE2 3.27Å; R369-E403 IonicContact NH2-OE2 3.91Å; F370-E403 PolarHBondContact N-OE1 3.22Å; L371-E403 HydrophobicContact CB-CG 4.07Å; A398-E403 HydrophobicContact CB-CB 4.18Å; A398-E403 PolarHBondContact O-N 2.84Å; N401-E403 HydrophobicContact CB-CB 4.43Å; N401-E403 PolarHBondContact O-N 3.26Å
404	S	98.8	Very high	89.2	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.014	13%	0.125	C	C	.	.			trans	-73.8	145.1	168.9	-63.3	0	0	0	0	110.1	F65 F370 L371	F65-S404 PolarHBondContact N-OG 3.49Å; F65-S404 CarbonylContact O-C 3.47Å; F65-S404 WeakPolarHBondContact O-CA 3.19Å; F65-S404 VanDerWaalsContact O-CB 3.3Å; F65-S404 WeakPolarHBondContact O-CB 3.46Å; F370-S404 VanDerWaalsContact CD2-CB 3.47Å; L371-S404 PolarHBondContact N-O 3.41Å
405	W	98.7	Very high	87.4	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.5	-175.4	55.7	-95.4	0	0	0	113.9	F65 H66 G67 F370 L371 F374 L395 F427	F65-W405 PolarHBondContact O-N 3.34Å; H66-W405 HydrophobicContact CB-CD2 4.42Å; H66-W405 HydrophobicContact CB-CH2 3.89Å; H66-W405 HydrophobicContact CB-CZ2 3.49Å; H66-W405 VanDerWaalsContact CB-CZ2 3.49Å; H66-W405 HydrophobicContact CB-CZ3 4.49Å; H66-W405 AromaticContact CD2-CD1 3.67Å; H66-W405 AromaticContact CD2-CE2 3.56Å; H66-W405 AromaticContact CD2-CZ2 3.97Å; H66-W405 AromaticContact CD2-NE1 3.03Å; H66-W405 PolarHBondContact CD2-NE1 3.3Å; H66-W405 AromaticContact CE1-NE1 3.58Å; H66-W405 AromaticContact CG-CE2 3.45Å; H66-W405 VanDerWaalsContact CG-CE2 3.45Å; H66-W405 AromaticContact CG-CZ2 3.38Å; H66-W405 AromaticContact CG-NE1 3.43Å; H66-W405 AromaticContact ND1-CE2 3.82Å; H66-W405 AromaticContact ND1-CZ2 3.46Å; H66-W405 WeakPolarHBondContact ND1-CZ2 3.48Å; H66-W405 AromaticContact ND1-NE1 3.74Å; H66-W405 AromaticContact NE2-CD1 3.93Å; H66-W405 AromaticContact NE2-CE2 3.98Å; H66-W405 AromaticContact NE2-NE1 3.16Å; H66-W405 PolarHBondContact NE2-NE1 3.42Å; H66-W405 VanDerWaalsContact NE2-NE1 3.16Å; G67-W405 WeakPolarHBondContact CA-O 3.34Å; G67-W405 PolarHBondContact N-O 2.96Å; G67-W405 WeakPolarHBondContact O-CZ3 3.49Å; F370-W405 VanDerWaalsContact CE1-C 3.47Å; L371-W405 HydrophobicContact CB-CB 4.07Å; L371-W405 HydrophobicContact CD2-CB 4.16Å; L371-W405 HydrophobicContact CG-CB 4.3Å; L371-W405 CarbonylContact O-C 3.54Å; L371-W405 WeakPolarHBondContact O-CA 3.45Å; F374-W405 HydrophobicContact CD1-CB 4.46Å; F374-W405 HydrophobicContact CE1-CB 4.06Å; F374-W405 HydrophobicContact CE1-CD2 4.03Å; F374-W405 AromaticContact CE1-CE3 3.67Å; F374-W405 HydrophobicContact CE1-CE3 3.67Å; F374-W405 HydrophobicContact CE1-CG 4.23Å; F374-W405 HydrophobicContact CE1-CZ3 4.46Å; F374-W405 HydrophobicContact CZ-CD2 4.46Å; F374-W405 HydrophobicContact CZ-CE3 4.07Å; F374-W405 HydrophobicContact CZ-CZ3 4.47Å; L395-W405 HydrophobicContact CD2-CD2 4.08Å; L395-W405 HydrophobicContact CD2-CE3 4.45Å; L395-W405 HydrophobicContact CD2-CH2 3.96Å; L395-W405 HydrophobicContact CD2-CZ2 3.53Å; L395-W405 HydrophobicContact CD2-CZ3 4.4Å; W405-F427 HydrophobicContact CH2-CB 4.45Å; W405-F427 HydrophobicContact CH2-CD1 4.18Å; W405-F427 HydrophobicContact CZ3-CD1 4.26Å
406	T	98.1	Very high	85.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.7	165.7	38.8	0	0	0	0	109.8	G67 N69 V98 R100 F370 L371 T372 E373	G67-T406 WeakPolarHBondContact O-CA 3.32Å; N69-T406 PolarHBondContact ND2-O 3Å; V98-T406 HydrophobicContact CG1-CG2 3.89Å; R100-T406 HydrophobicContact CB-CG2 4.1Å; F370-T406 HydrophobicContact CE1-CG2 3.91Å; F370-T406 HydrophobicContact CZ-CG2 4.08Å; L371-T406 PolarHBondContact O-N 3.5Å; T372-T406 CarbonylContact C-O 3.5Å; T372-T406 WeakPolarHBondContact CA-OG1 3.42Å; T372-T406 WeakPolarHBondContact O-CB 3.49Å; T372-T406 VanDerWaalsContact O-O 3.12Å; T372-T406 PolarHBondContact O-OG1 3.33Å; E373-T406 WeakPolarHBondContact CA-O 3.36Å
407	Y	96.6	Very high	84.2	Confident	6 Å²	6	33.7 Å²	33.7	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.3	-179.4	170.9	-115.9	0	0	0	111.2	G67 N69 F374 C377 D409 L413 F414 F427	G67-Y407 PolarHBondContact O-N 3.03Å; N69-Y407 PolarHBondContact N-O 3.27Å; N69-Y407 PolarHBondContact ND2-O 2.62Å; F374-Y407 HydrophobicContact CD2-CD2 4.04Å; F374-Y407 HydrophobicContact CE1-CD2 4.33Å; F374-Y407 AromaticContact CE2-CD2 3.63Å; F374-Y407 HydrophobicContact CE2-CD2 3.63Å; F374-Y407 HydrophobicContact CE2-CE2 4.38Å; F374-Y407 HydrophobicContact CE2-CG 4.46Å; F374-Y407 AromaticContact CZ-CD2 3.79Å; F374-Y407 HydrophobicContact CZ-CD2 3.79Å; F374-Y407 HydrophobicContact CZ-CG 4.19Å; F374-Y407 VanDerWaalsContact O-CD2 3.31Å; F374-Y407 WeakPolarHBondContact O-CD2 3.13Å; C377-Y407 WeakPolarHBondContact O-CE2 3.27Å; C377-Y407 PolarHBondContact O-OH 3.02Å; Y407-D409 HydrophobicContact CD1-CB 3.66Å; Y407-D409 HydrophobicContact CE1-CB 3.41Å; Y407-D409 VanDerWaalsContact CE1-CB 3.41Å; Y407-D409 PolarHBondContact O-N 3.35Å; Y407-L413 HydrophobicContact CE1-CD2 4.38Å; Y407-F414 HydrophobicContact CD1-CE2 4.3Å; Y407-F427 AromaticContact CD1-CE1 3.87Å; Y407-F427 HydrophobicContact CD1-CE1 3.87Å; Y407-F427 HydrophobicContact CD1-CE2 4.47Å; Y407-F427 AromaticContact CD1-CZ 3.82Å; Y407-F427 HydrophobicContact CD1-CZ 3.82Å; Y407-F427 AromaticContact CD2-CE1 3.66Å; Y407-F427 HydrophobicContact CD2-CE1 3.66Å; Y407-F427 AromaticContact CD2-CZ 3.82Å; Y407-F427 HydrophobicContact CD2-CZ 3.82Å; Y407-F427 HydrophobicContact CE1-CE1 4.2Å; Y407-F427 HydrophobicContact CE1-CE2 4.18Å; Y407-F427 AromaticContact CE1-CZ 3.67Å; Y407-F427 HydrophobicContact CE1-CZ 3.67Å; Y407-F427 HydrophobicContact CE2-CE1 4.01Å; Y407-F427 AromaticContact CE2-CZ 3.67Å; Y407-F427 HydrophobicContact CE2-CZ 3.67Å; Y407-F427 HydrophobicContact CG-CD1 4.39Å; Y407-F427 AromaticContact CG-CE1 3.57Å; Y407-F427 HydrophobicContact CG-CE1 3.57Å; Y407-F427 AromaticContact CG-CZ 3.89Å; Y407-F427 HydrophobicContact CG-CZ 3.89Å; Y407-F427 AromaticContact CZ-CZ 3.61Å
408	W	94.7	Very high	83	Confident	58 Å²	58	37.3 Å²	37.3	22%	0.22	19%	0.187	C	C	.	.			trans	-87	98.7	171.3	-174.5	-92.9	0	0	0	109.8	N69 V71 H142 Y325 E373 F374	N69-W408 HydrophobicContact CB-CD2 4.46Å; N69-W408 HydrophobicContact CB-CE3 3.56Å; N69-W408 HydrophobicContact CB-CZ3 3.96Å; V71-W408 HydrophobicContact CB-CH2 3.95Å; V71-W408 HydrophobicContact CB-CZ3 4.12Å; V71-W408 HydrophobicContact CG1-CH2 4.36Å; V71-W408 HydrophobicContact CG2-CH2 4.18Å; V71-W408 HydrophobicContact CG2-CZ3 3.86Å; H142-W408 AromaticContact CE1-CH2 3.49Å; H142-W408 VanDerWaalsContact CE1-CH2 3.49Å; H142-W408 WeakPolarHBondContact CE1-CH2 3.43Å; H142-W408 AromaticContact CE1-CZ3 3.36Å; H142-W408 WeakPolarHBondContact CE1-CZ3 3.43Å; H142-W408 AromaticContact NE2-CH2 3.37Å; H142-W408 WeakPolarHBondContact NE2-CH2 3.49Å; H142-W408 AromaticContact NE2-CZ3 3.78Å; Y325-W408 VanDerWaalsContact OH-CB 3.28Å; Y325-W408 WeakPolarHBondContact OH-CB 3.48Å; E373-W408 HydrophobicContact CG-CE3 4.19Å; F374-W408 PolarHBondContact O-N 2.9Å
409	D	82.7	Confident	81.5	Confident	13 Å²	13	40.9 Å²	40.9	7%	0.07	21%	0.208	C	C	.	.			trans	-88.7	-8.4	-171.7	87.5	-39.9	0	0	0	114.9	Y407 Y411 E412 L413 F414	Y407-D409 HydrophobicContact CD1-CB 3.66Å; Y407-D409 HydrophobicContact CE1-CB 3.41Å; Y407-D409 VanDerWaalsContact CE1-CB 3.41Å; Y407-D409 PolarHBondContact O-N 3.35Å; D409-Y411 PolarHBondContact O-N 3.09Å; D409-Y411 PolarHBondContact OD1-N 2.95Å; D409-Y411 WeakPolarHBondContact OD2-CA 3.21Å; D409-E412 WeakPolarHBondContact O-CB 3.46Å; D409-E412 PolarHBondContact O-N 2.89Å; D409-L413 HydrophobicContact CB-CB 4.2Å; D409-L413 PolarHBondContact OD2-N 2.99Å; D409-F414 HydrophobicContact CB-CD2 3.82Å; D409-F414 HydrophobicContact CB-CE2 4.15Å; D409-F414 VanDerWaalsContact OD2-CD2 3.27Å; D409-F414 WeakPolarHBondContact OD2-CD2 2.93Å; D409-F414 PolarHBondContact OD2-N 3.29Å
410	G	76.8	Confident	79.9	Confident	34 Å²	34	49 Å²	49	35%	0.351	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	25.9	-176	0	0	0	0	0	114.5	E412	G410-E412 VanDerWaalsContact C-N 3.27Å; G410-E412 PolarHBondContact O-N 3.07Å
411	Y	68.5	Low	78.7	Confident	78 Å²	78	45 Å²	45	31%	0.306	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	12.9	-170	-39.3	-81	0	0	0	116.2	V71 H72 K73 I79 D409 S415	V71-Y411 WeakPolarHBondContact O-CE1 3.25Å; V71-Y411 PolarHBondContact O-OH 3.15Å; H72-Y411 WeakPolarHBondContact CA-OH 3.27Å; H72-Y411 HydrophobicContact CB-CE1 4.41Å; H72-Y411 AromaticContact ND1-CE1 3.47Å; H72-Y411 WeakPolarHBondContact ND1-CE1 3.26Å; H72-Y411 AromaticContact ND1-CZ 3.68Å; K73-Y411 PolarHBondContact N-OH 3.23Å; K73-Y411 VanDerWaalsContact N-OH 3.14Å; I79-Y411 HydrophobicContact CD1-CD1 4.37Å; I79-Y411 HydrophobicContact CD1-CE1 4.36Å; D409-Y411 PolarHBondContact O-N 3.09Å; D409-Y411 PolarHBondContact OD1-N 2.95Å; D409-Y411 WeakPolarHBondContact OD2-CA 3.21Å; Y411-S415 WeakPolarHBondContact O-CB 3.14Å; Y411-S415 PolarHBondContact O-OG 2.93Å
412	E	58.3	Low	77.9	Confident	119 Å²	119	48.9 Å²	48.9	56%	0.556	25%	0.254	S	S	*	.	S	Bend	trans	-82.7	-44.3	-175.4	-61.6	-173.2	171.4	0	0	112.7	L378 D409 G410	L378-E412 HydrophobicContact CD2-CB 4.06Å; L378-E412 WeakPolarHBondContact CD2-OE2 3.39Å; D409-E412 WeakPolarHBondContact O-CB 3.46Å; D409-E412 PolarHBondContact O-N 2.89Å; G410-E412 VanDerWaalsContact C-N 3.27Å; G410-E412 PolarHBondContact O-N 3.07Å
413	L	59.3	Low	77.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-84.5	-43.3	-174.3	-173.1	59.5	0	0	0	111.9	L378 Y407 D409 N416 N421 F427	L378-L413 HydrophobicContact CD1-CB 4.21Å; L378-L413 HydrophobicContact CD1-CD1 4.22Å; L378-L413 HydrophobicContact CD1-CD2 4.41Å; Y407-L413 HydrophobicContact CE1-CD2 4.38Å; D409-L413 HydrophobicContact CB-CB 4.2Å; D409-L413 PolarHBondContact OD2-N 2.99Å; L413-N416 CarbonylContact O-C 3.52Å; L413-N421 VanDerWaalsContact CD1-ND2 3.32Å; L413-N421 WeakPolarHBondContact CD1-ND2 3.28Å; L413-F427 HydrophobicContact CD2-CD2 3.5Å; L413-F427 HydrophobicContact CD2-CE2 3.67Å; L413-F427 HydrophobicContact CD2-CG 4.3Å
414	F	61.1	Low	76.8	Confident	21 Å²	21	48.1 Å²	48.1	9%	0.092	25%	0.251	C	S	.	.	S	Bend	trans	-98.7	-11.8	-166.8	-64.4	-80.4	0	0	0	114.9	I68 L91 W94 Y407 D409 N416 L417	I68-F414 HydrophobicContact CB-CD2 4.2Å; I68-F414 HydrophobicContact CB-CE2 3.96Å; I68-F414 HydrophobicContact CB-CZ 4.33Å; I68-F414 HydrophobicContact CD1-CB 4.2Å; I68-F414 HydrophobicContact CD1-CD1 3.73Å; I68-F414 HydrophobicContact CD1-CD2 3.85Å; I68-F414 HydrophobicContact CD1-CE1 4.03Å; I68-F414 HydrophobicContact CD1-CE2 4.23Å; I68-F414 HydrophobicContact CD1-CG 3.64Å; I68-F414 HydrophobicContact CD1-CZ 4.35Å; I68-F414 HydrophobicContact CG2-CD1 4.49Å; I68-F414 HydrophobicContact CG2-CD2 3.89Å; I68-F414 HydrophobicContact CG2-CE1 3.82Å; I68-F414 HydrophobicContact CG2-CE2 3.21Å; I68-F414 HydrophobicContact CG2-CZ 3.21Å; L91-F414 HydrophobicContact CD2-CD1 3.46Å; L91-F414 VanDerWaalsContact CD2-CD1 3.46Å; L91-F414 HydrophobicContact CD2-CE1 3.69Å; W94-F414 AromaticContact CE3-CD1 3.96Å; W94-F414 HydrophobicContact CE3-CD1 3.96Å; W94-F414 AromaticContact CE3-CE1 3.42Å; W94-F414 HydrophobicContact CE3-CE1 3.42Å; W94-F414 VanDerWaalsContact CE3-CE1 3.42Å; W94-F414 HydrophobicContact CE3-CZ 4.35Å; W94-F414 AromaticContact CZ3-CD1 3.5Å; W94-F414 HydrophobicContact CZ3-CD1 3.5Å; W94-F414 AromaticContact CZ3-CE1 3.34Å; W94-F414 HydrophobicContact CZ3-CE1 3.34Å; W94-F414 HydrophobicContact CZ3-CZ 4.27Å; Y407-F414 HydrophobicContact CD1-CE2 4.3Å; D409-F414 HydrophobicContact CB-CD2 3.82Å; D409-F414 HydrophobicContact CB-CE2 4.15Å; D409-F414 VanDerWaalsContact OD2-CD2 3.27Å; D409-F414 WeakPolarHBondContact OD2-CD2 2.93Å; D409-F414 PolarHBondContact OD2-N 3.29Å; F414-N416 PolarHBondContact O-N 2.93Å; F414-L417 HydrophobicContact CB-CD2 4.47Å; F414-L417 HydrophobicContact CD1-CD2 4.04Å
415	S	60.9	Low	76.5	Confident	57 Å²	57	51.6 Å²	51.6	40%	0.399	27%	0.266	S	S	.	.	S	Bend	trans	-61.9	-38	165.2	61.6	0	0	0	0	110.6	K81 Y411	K81-S415 PolarHBondContact NZ-O 2.92Å; Y411-S415 WeakPolarHBondContact O-CB 3.14Å; Y411-S415 PolarHBondContact O-OG 2.93Å
416	N	62.9	Low	76.2	Confident	111 Å²	111	51.8 Å²	51.8	59%	0.594	27%	0.268	S	S	*	.	S	Bend	trans	-108.1	76.2	-180	-67.6	-32.6	0	0	0	111.2	L413 F414 N418	L413-N416 CarbonylContact O-C 3.52Å; F414-N416 PolarHBondContact O-N 2.93Å; N416-N418 PolarHBondContact O-N 2.92Å
417	L	66	Low	76	Confident	34 Å²	34	52 Å²	52	18%	0.178	27%	0.269	C	S	.	.			trans	-63.5	57.1	176.8	-65.8	175.4	0	0	0	113.6	K81 T87 V90 L91 W94 F414	K81-L417 HydrophobicContact CD-CD1 4.01Å; K81-L417 HydrophobicContact CD-CG 4.45Å; T87-L417 HydrophobicContact CG2-CD1 3.81Å; V90-L417 HydrophobicContact CB-CD1 4.34Å; V90-L417 HydrophobicContact CG1-CB 4.13Å; V90-L417 HydrophobicContact CG1-CD1 4.39Å; V90-L417 HydrophobicContact CG1-CD2 4.26Å; V90-L417 HydrophobicContact CG1-CG 4.48Å; L91-L417 HydrophobicContact CD2-CD2 4.1Å; W94-L417 HydrophobicContact CH2-CB 4.25Å; W94-L417 HydrophobicContact CH2-CD2 3.75Å; W94-L417 HydrophobicContact CZ2-CB 4.31Å; W94-L417 HydrophobicContact CZ2-CD2 4.29Å; W94-L417 HydrophobicContact CZ3-CD2 3.88Å; F414-L417 HydrophobicContact CB-CD2 4.47Å; F414-L417 HydrophobicContact CD1-CD2 4.04Å
418	N	72.4	Confident	75.9	Confident	77 Å²	77	51.7 Å²	51.7	41%	0.412	27%	0.268	S	S	.	.			trans	-99.7	123.1	178	-172.1	0.5	0	0	0	109.6	N416 E420 N421	N416-N418 PolarHBondContact O-N 2.92Å; N418-E420 PolarHBondContact O-N 3.06Å; N418-E420 WeakPolarHBondContact OD1-CB 3.46Å; N418-E420 PolarHBondContact OD1-N 3.2Å; N418-N421 WeakPolarHBondContact O-CB 3.18Å; N418-N421 PolarHBondContact O-N 3.38Å; N418-N421 VanDerWaalsContact O-N 3.1Å
419	V	66.3	Low	76	Confident	75 Å²	75	49 Å²	49	46%	0.455	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25	176	-179.6	0	0	0	0	111.6	N421	V419-N421 PolarHBondContact O-N 2.96Å
420	E	65.1	Low	76.8	Confident	174 Å²	174	48.4 Å²	48.4	81%	0.813	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.7	175.4	-57.8	179.6	164	0	0	113.1	N418 I422	N418-E420 PolarHBondContact O-N 3.06Å; N418-E420 WeakPolarHBondContact OD1-CB 3.46Å; N418-E420 PolarHBondContact OD1-N 3.2Å; E420-I422 PolarHBondContact O-N 3.12Å; E420-I422 VanDerWaalsContact O-N 3.1Å
421	N	73.1	Confident	77.8	Confident	39 Å²	39	46.8 Å²	46.8	21%	0.209	24%	0.237	C	C	.	.			trans	-66	114.3	176.7	-169.1	-26.6	0	0	0	109.6	L413 N418 V419 S423 L424	L413-N421 VanDerWaalsContact CD1-ND2 3.32Å; L413-N421 WeakPolarHBondContact CD1-ND2 3.28Å; N418-N421 WeakPolarHBondContact O-CB 3.18Å; N418-N421 PolarHBondContact O-N 3.38Å; N418-N421 VanDerWaalsContact O-N 3.1Å; V419-N421 PolarHBondContact O-N 2.96Å; N421-S423 PolarHBondContact O-N 2.95Å; N421-S423 VanDerWaalsContact O-N 3.08Å; N421-S423 VanDerWaalsContact OD1-CB 3.25Å; N421-S423 WeakPolarHBondContact OD1-CB 3.39Å; N421-S423 PolarHBondContact OD1-N 3.47Å; N421-S423 PolarHBondContact OD1-OG 3.35Å; N421-L424 WeakPolarHBondContact O-CB 3.39Å; N421-L424 PolarHBondContact O-N 2.82Å
422	I	79.6	Confident	79.2	Confident	101 Å²	101	43.2 Å²	43.2	52%	0.518	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.9	-179	-167.3	148.8	0	0	0	112.9	G381 E420 L424 K425	G381-I422 VanDerWaalsContact CA-CD1 3.49Å; E420-I422 PolarHBondContact O-N 3.12Å; E420-I422 VanDerWaalsContact O-N 3.1Å; I422-L424 PolarHBondContact O-N 3.49Å; I422-K425 WeakPolarHBondContact O-CB 3.39Å; I422-K425 PolarHBondContact O-N 3.14Å
423	S	84.9	Confident	81.1	Confident	7 Å²	7	38.7 Å²	38.7	5%	0.049	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.3	177.6	-38	0	0	0	0	112.8	P379 N421 K425 S426 F427	P379-S423 WeakPolarHBondContact O-CA 3.37Å; P379-S423 VanDerWaalsContact O-CB 3.3Å; P379-S423 WeakPolarHBondContact O-CB 3.32Å; P379-S423 PolarHBondContact O-N 3.09Å; P379-S423 PolarHBondContact O-OG 3.04Å; N421-S423 PolarHBondContact O-N 2.95Å; N421-S423 VanDerWaalsContact O-N 3.08Å; N421-S423 VanDerWaalsContact OD1-CB 3.25Å; N421-S423 WeakPolarHBondContact OD1-CB 3.39Å; N421-S423 PolarHBondContact OD1-N 3.47Å; N421-S423 PolarHBondContact OD1-OG 3.35Å; S423-K425 PolarHBondContact O-N 3.02Å; S423-S426 PolarHBondContact O-N 2.99Å; S423-F427 VanDerWaalsContact O-CD2 3.32Å; S423-F427 WeakPolarHBondContact O-CD2 3.17Å
424	L	88.3	Confident	83	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-28.5	-175.9	-176.9	59.4	0	0	0	112.4	W94 N421 I422 S426 F427 S428 I480	W94-L424 HydrophobicContact CB-CD1 4.02Å; W94-L424 HydrophobicContact CD2-CD1 3.46Å; W94-L424 VanDerWaalsContact CD2-CD1 3.46Å; W94-L424 HydrophobicContact CD2-CD2 3.74Å; W94-L424 HydrophobicContact CD2-CG 4.25Å; W94-L424 VanDerWaalsContact CE2-CD2 3.49Å; W94-L424 HydrophobicContact CE3-CD1 3.37Å; W94-L424 HydrophobicContact CE3-CD2 4.32Å; W94-L424 HydrophobicContact CE3-CG 4.47Å; W94-L424 HydrophobicContact CG-CD1 3.75Å; W94-L424 HydrophobicContact CG-CD2 3.95Å; W94-L424 HydrophobicContact CG-CG 4.45Å; W94-L424 HydrophobicContact CH2-CD1 4.47Å; W94-L424 HydrophobicContact CH2-CD2 4.44Å; W94-L424 HydrophobicContact CZ2-CD2 3.9Å; W94-L424 HydrophobicContact CZ3-CD1 3.92Å; N421-L424 WeakPolarHBondContact O-CB 3.39Å; N421-L424 PolarHBondContact O-N 2.82Å; I422-L424 PolarHBondContact O-N 3.49Å; L424-S426 PolarHBondContact O-N 3.33Å; L424-F427 PolarHBondContact O-N 3.17Å; L424-S428 WeakPolarHBondContact O-CB 3.15Å; L424-S428 PolarHBondContact O-N 2.83Å; L424-I480 HydrophobicContact CD2-CD1 3.62Å; L424-I480 HydrophobicContact CG-CD1 3.83Å
425	K	91.6	Very high	84.7	Confident	75 Å²	75	37.9 Å²	37.9	33%	0.326	20%	0.199	S	C	.	.	H	α-helix	trans	-54.8	-40.4	-178.5	-168	-174.8	-173.7	-150.5	0	111.9	I422 S423 V446 I480 H481	I422-K425 WeakPolarHBondContact O-CB 3.39Å; I422-K425 PolarHBondContact O-N 3.14Å; S423-K425 PolarHBondContact O-N 3.02Å; K425-V446 HydrophobicContact CD-CG2 4.41Å; K425-V446 WeakPolarHBondContact CE-O 3.37Å; K425-V446 HydrophobicContact CG-CG2 3.99Å; K425-V446 PolarHBondContact NZ-O 3.19Å; K425-V446 WeakPolarHBondContact O-CG2 3.37Å; K425-I480 HydrophobicContact CB-CG2 4.42Å; K425-I480 HydrophobicContact CG-CG2 4.21Å; K425-H481 WeakPolarHBondContact CG-CE1 3.19Å; K425-H481 PolarHBondContact O-CE1 3.03Å; K425-H481 PolarHBondContact O-NE2 3.05Å
426	S	93.3	Very high	86.3	Confident	5 Å²	5	35.3 Å²	35.3	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-72.3	-41	179.6	-69.7	0	0	0	0	113.4	P379 N392 L395 S423 L424 R429	P379-S426 WeakPolarHBondContact CG-OG 3.38Å; N392-S426 VanDerWaalsContact OD1-CB 3.27Å; N392-S426 WeakPolarHBondContact OD1-CB 3.45Å; N392-S426 PolarHBondContact OD1-OG 3.47Å; L395-S426 WeakPolarHBondContact CD1-O 3.46Å; S423-S426 PolarHBondContact O-N 2.99Å; L424-S426 PolarHBondContact O-N 3.33Å; S426-R429 VanDerWaalsContact O-CD 3.32Å; S426-R429 WeakPolarHBondContact O-CD 3.49Å; S426-R429 WeakPolarHBondContact O-CG 3.41Å
427	F	93.9	Very high	87.8	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.022	15%	0.154	C	C	.	.	H	α-helix	trans	-82	-34.1	-176	-63.2	-73.7	0	0	0	113.2	F374 L378 P379 L395 W405 Y407 L413 S423 L424 R429	F374-F427 HydrophobicContact CE2-CE1 4.15Å; F374-F427 AromaticContact CZ-CE1 3.98Å; F374-F427 HydrophobicContact CZ-CE1 3.98Å; L378-F427 HydrophobicContact CD1-CE2 4.32Å; P379-F427 HydrophobicContact CG-CE2 4.42Å; L395-F427 HydrophobicContact CD1-CD1 3.99Å; L395-F427 HydrophobicContact CD1-CE1 4.22Å; L395-F427 HydrophobicContact CD2-CD1 4.34Å; W405-F427 HydrophobicContact CH2-CB 4.45Å; W405-F427 HydrophobicContact CH2-CD1 4.18Å; W405-F427 HydrophobicContact CZ3-CD1 4.26Å; Y407-F427 AromaticContact CD1-CE1 3.87Å; Y407-F427 HydrophobicContact CD1-CE1 3.87Å; Y407-F427 HydrophobicContact CD1-CE2 4.47Å; Y407-F427 AromaticContact CD1-CZ 3.82Å; Y407-F427 HydrophobicContact CD1-CZ 3.82Å; Y407-F427 AromaticContact CD2-CE1 3.66Å; Y407-F427 HydrophobicContact CD2-CE1 3.66Å; Y407-F427 AromaticContact CD2-CZ 3.82Å; Y407-F427 HydrophobicContact CD2-CZ 3.82Å; Y407-F427 HydrophobicContact CE1-CE1 4.2Å; Y407-F427 HydrophobicContact CE1-CE2 4.18Å; Y407-F427 AromaticContact CE1-CZ 3.67Å; Y407-F427 HydrophobicContact CE1-CZ 3.67Å; Y407-F427 HydrophobicContact CE2-CE1 4.01Å; Y407-F427 AromaticContact CE2-CZ 3.67Å; Y407-F427 HydrophobicContact CE2-CZ 3.67Å; Y407-F427 HydrophobicContact CG-CD1 4.39Å; Y407-F427 AromaticContact CG-CE1 3.57Å; Y407-F427 HydrophobicContact CG-CE1 3.57Å; Y407-F427 AromaticContact CG-CZ 3.89Å; Y407-F427 HydrophobicContact CG-CZ 3.89Å; Y407-F427 AromaticContact CZ-CZ 3.61Å; L413-F427 HydrophobicContact CD2-CD2 3.5Å; L413-F427 HydrophobicContact CD2-CE2 3.67Å; L413-F427 HydrophobicContact CD2-CG 4.3Å; S423-F427 VanDerWaalsContact O-CD2 3.32Å; S423-F427 WeakPolarHBondContact O-CD2 3.17Å; L424-F427 PolarHBondContact O-N 3.17Å; F427-R429 VanDerWaalsContact C-N 3.34Å; F427-R429 PolarHBondContact O-N 2.49Å; F427-R429 VanDerWaalsContact O-N 3.08Å
428	S	94.7	Very high	89.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-84.4	79.7	176.5	-169.4	0	0	0	0	109.6	W94 L424 P477 I480 H481	W94-S428 WeakPolarHBondContact O-CB 3.22Å; W94-S428 PolarHBondContact O-OG 3.01Å; W94-S428 VanDerWaalsContact O-OG 3.11Å; L424-S428 WeakPolarHBondContact O-CB 3.15Å; L424-S428 PolarHBondContact O-N 2.83Å; S428-P477 WeakPolarHBondContact O-CG 3.41Å; S428-P477 VanDerWaalsContact OG-CB 3.26Å; S428-P477 WeakPolarHBondContact OG-CB 3.32Å; S428-I480 WeakPolarHBondContact OG-CD1 3.38Å; S428-H481 PolarHBondContact O-CD2 3.24Å; S428-H481 PolarHBondContact O-NE2 3.26Å
429	R	96.7	Very high	90.4	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.152	C	C	.	.			trans	-96.4	154.7	-176.7	-55.1	175.6	71.6	78.6	-2.6	110.3	N396 D399 S426 F427 Y431 F444 F475	N396-R429 PolarHBondContact OD1-NH2 2.62Å; D399-R429 IonicContact OD1-NE 2.73Å; D399-R429 IonicContact OD2-CZ 3.83Å; D399-R429 VanDerWaalsContact OD2-CZ 3.22Å; D399-R429 IonicContact OD2-NE 3.22Å; D399-R429 PolarHBondContact OD2-NE 3.14Å; D399-R429 IonicContact OD2-NH2 3.96Å; D399-R429 PolarHBondContact OD2-NH2 3.05Å; S426-R429 VanDerWaalsContact O-CD 3.32Å; S426-R429 WeakPolarHBondContact O-CD 3.49Å; S426-R429 WeakPolarHBondContact O-CG 3.41Å; F427-R429 VanDerWaalsContact C-N 3.34Å; F427-R429 PolarHBondContact O-N 2.49Å; F427-R429 VanDerWaalsContact O-N 3.08Å; R429-Y431 WeakPolarHBondContact O-CD1 3.48Å; R429-F444 HydrophobicContact CB-CD1 3.56Å; R429-F444 HydrophobicContact CB-CE1 3.91Å; R429-F444 HydrophobicContact CB-CG 4.18Å; R429-F444 HydrophobicContact CG-CD1 3.8Å; R429-F444 HydrophobicContact CG-CE1 4.07Å; R429-F444 PolarHBondContact NH2-O 3.07Å; R429-F475 VanDerWaalsContact O-CD1 3.22Å; R429-F475 WeakPolarHBondContact O-CD1 3.28Å
430	T	98.4	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.			trans	-75.8	126.2	165.8	-57.8	0	0	0	0	109	F451 I474 F475 A476 Y482 I527	T430-F451 HydrophobicContact CG2-CB 3.75Å; T430-F451 HydrophobicContact CG2-CD1 3.76Å; T430-F451 HydrophobicContact CG2-CD2 3.51Å; T430-F451 HydrophobicContact CG2-CE1 4.16Å; T430-F451 HydrophobicContact CG2-CE2 3.92Å; T430-F451 HydrophobicContact CG2-CG 3.38Å; T430-F451 HydrophobicContact CG2-CZ 4.2Å; T430-F451 WeakPolarHBondContact O-CD2 3.47Å; T430-F451 VanDerWaalsContact O-CE2 3.24Å; T430-F451 WeakPolarHBondContact O-CE2 3.09Å; T430-I474 HydrophobicContact CG2-CG2 3.75Å; T430-F475 CarbonylContact C-O 3.51Å; T430-F475 WeakPolarHBondContact CA-O 3.07Å; T430-F475 VanDerWaalsContact CG2-O 3.25Å; T430-F475 WeakPolarHBondContact CG2-O 3.43Å; T430-A476 HydrophobicContact CG2-CB 4.14Å; T430-Y482 WeakPolarHBondContact OG1-CE2 3.44Å; T430-Y482 PolarHBondContact OG1-OH 3.21Å; T430-I527 HydrophobicContact CG2-CD1 4.16Å
431	Y	98.7	Very high	93.4	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	153.6	-177.9	78	-79.9	0	0	0	112.9	L64 H66 G95 N97 R429 Q433 I474 F475	L64-Y431 HydrophobicContact CB-CD2 4.45Å; L64-Y431 HydrophobicContact CD2-CD2 4.04Å; L64-Y431 HydrophobicContact CG-CD2 4.28Å; H66-Y431 HydrophobicContact CB-CE1 4.18Å; H66-Y431 HydrophobicContact CB-CE2 4.32Å; H66-Y431 AromaticContact CE1-CD1 3.68Å; H66-Y431 AromaticContact CE1-CD2 3.61Å; H66-Y431 AromaticContact CE1-CG 3.37Å; H66-Y431 AromaticContact CG-CE1 3.93Å; H66-Y431 AromaticContact CG-CE2 3.8Å; H66-Y431 AromaticContact CG-CZ 3.69Å; H66-Y431 AromaticContact ND1-CD1 3.36Å; H66-Y431 WeakPolarHBondContact ND1-CD1 3.36Å; H66-Y431 AromaticContact ND1-CD2 3.77Å; H66-Y431 AromaticContact ND1-CE1 3.45Å; H66-Y431 WeakPolarHBondContact ND1-CE1 3.34Å; H66-Y431 AromaticContact ND1-CE2 3.84Å; H66-Y431 AromaticContact ND1-CG 3.53Å; H66-Y431 AromaticContact ND1-CZ 3.68Å; H66-Y431 AromaticContact NE2-CD2 3.84Å; G95-Y431 WeakPolarHBondContact O-CE1 3.33Å; G95-Y431 PolarHBondContact O-OH 3.28Å; N97-Y431 PolarHBondContact ND2-OH 2.89Å; N97-Y431 VanDerWaalsContact ND2-OH 3.15Å; R429-Y431 WeakPolarHBondContact O-CD1 3.48Å; Y431-Q433 HydrophobicContact CD2-CG 4.28Å; Y431-Q433 HydrophobicContact CE1-CG 4.27Å; Y431-Q433 HydrophobicContact CE2-CB 4.39Å; Y431-Q433 HydrophobicContact CE2-CG 3.52Å; Y431-Q433 PolarHBondContact O-N 3.01Å; Y431-Q433 WeakPolarHBondContact OH-CG 3.33Å; Y431-Q433 PolarHBondContact OH-NE2 3.04Å; Y431-I474 WeakPolarHBondContact O-CA 3.42Å; Y431-F475 HydrophobicContact CD1-CB 4.15Å; Y431-F475 AromaticContact CD1-CD1 4Å; Y431-F475 HydrophobicContact CD1-CD1 4Å; Y431-F475 HydrophobicContact CE1-CB 3.93Å; Y431-F475 AromaticContact CE1-CD1 3.83Å; Y431-F475 HydrophobicContact CE1-CD1 3.83Å; Y431-F475 HydrophobicContact CE1-CG 4.15Å; Y431-F475 PolarHBondContact N-O 3.43Å; Y431-F475 PolarHBondContact O-N 2.81Å
432	P	98.4	Very high	94.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	114.3	173.8	30.9	-34.1	0	0	0	110.9	L64 L442 Y453 E473 I474	L64-P432 WeakPolarHBondContact CB-O 3.36Å; P432-L442 HydrophobicContact CG-CD1 4.4Å; P432-L442 HydrophobicContact CG-CD2 4.43Å; P432-Y453 HydrophobicContact CB-CD1 3.9Å; P432-Y453 HydrophobicContact CB-CE1 3.52Å; P432-Y453 HydrophobicContact CB-CE2 4.44Å; P432-Y453 HydrophobicContact CB-CG 4.44Å; P432-Y453 HydrophobicContact CG-CD1 4.02Å; P432-Y453 HydrophobicContact CG-CD2 3.92Å; P432-Y453 HydrophobicContact CG-CE1 3.77Å; P432-Y453 HydrophobicContact CG-CE2 3.76Å; P432-Y453 HydrophobicContact CG-CG 4.08Å; P432-E473 CarbonylContact C-O 3.59Å; P432-E473 WeakPolarHBondContact CA-O 3.49Å; P432-I474 HydrophobicContact CB-CG1 4.08Å
433	Q	98.2	Very high	95.6	Very high	24 Å²	24	23.3 Å²	23.3	11%	0.112	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-28.3	173.4	-72.1	-168.5	-9.8	0	0	112.9	K63 L64 Y431 E473 F475	K63-Q433 WeakPolarHBondContact CE-O 3.45Å; K63-Q433 PolarHBondContact NZ-O 2.97Å; L64-Q433 PolarHBondContact N-O 3.21Å; Y431-Q433 HydrophobicContact CD2-CG 4.28Å; Y431-Q433 HydrophobicContact CE1-CG 4.27Å; Y431-Q433 HydrophobicContact CE2-CB 4.39Å; Y431-Q433 HydrophobicContact CE2-CG 3.52Å; Y431-Q433 PolarHBondContact O-N 3.01Å; Y431-Q433 WeakPolarHBondContact OH-CG 3.33Å; Y431-Q433 PolarHBondContact OH-NE2 3.04Å; Q433-E473 PolarHBondContact N-O 2.96Å; Q433-F475 HydrophobicContact CG-CB 4.06Å
434	S	97.7	Very high	96.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	136.1	-179.9	-45.6	0	0	0	0	109.4	I62 K63 A472 E473	I62-S434 CarbonylContact O-C 2.87Å; I62-S434 VanDerWaalsContact O-CA 3.28Å; I62-S434 WeakPolarHBondContact O-CA 3.29Å; K63-S434 PolarHBondContact NZ-OG 3.41Å; S434-A472 CarbonylContact O-C 3.56Å; S434-A472 VanDerWaalsContact O-CA 3.26Å; S434-A472 WeakPolarHBondContact O-CA 3.12Å; S434-E473 WeakPolarHBondContact CB-OE2 3.22Å; S434-E473 PolarHBondContact N-O 2.53Å; S434-E473 PolarHBondContact O-N 2.87Å; S434-E473 PolarHBondContact OG-OE2 3.3Å
435	T	97.9	Very high	96.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.6	177	-53.7	0	0	0	0	111.8	F61 I62 G437 Y453 F455	F61-T435 CarbonylContact C-O 3.46Å; F61-T435 VanDerWaalsContact CA-O 3.32Å; F61-T435 WeakPolarHBondContact CA-O 3.33Å; I62-T435 PolarHBondContact N-O 3.29Å; I62-T435 PolarHBondContact O-N 3.18Å; T435-G437 PolarHBondContact O-N 3.2Å; T435-G437 VanDerWaalsContact O-N 3.08Å; T435-Y453 WeakPolarHBondContact CB-OH 3.18Å; T435-Y453 HydrophobicContact CG2-CE1 4.09Å; T435-Y453 WeakPolarHBondContact CG2-OH 3.3Å; T435-Y453 PolarHBondContact OG1-OH 2.61Å; T435-F455 HydrophobicContact CG2-CB 3.95Å; T435-F455 HydrophobicContact CG2-CD1 4.03Å; T435-F455 HydrophobicContact CG2-CD2 3.39Å; T435-F455 HydrophobicContact CG2-CE1 4.37Å; T435-F455 HydrophobicContact CG2-CE2 3.76Å; T435-F455 HydrophobicContact CG2-CG 3.52Å; T435-F455 HydrophobicContact CG2-CZ 4.24Å
436	A	95	Very high	96.8	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.033	12%	0.121	C	C	.	.	S	Bend	trans	-84.1	56.1	171.5	0	0	0	0	0	111.6	F61 T458 V471	F61-A436 HydrophobicContact CD1-CB 4.14Å; F61-A436 HydrophobicContact CD2-CB 4.13Å; F61-A436 HydrophobicContact CE1-CB 3.79Å; F61-A436 HydrophobicContact CE2-CB 3.76Å; F61-A436 HydrophobicContact CG-CB 4.31Å; F61-A436 HydrophobicContact CZ-CB 3.6Å; A436-T458 PolarHBondContact O-N 3.33Å; A436-T458 VanDerWaalsContact O-N 3.08Å; A436-T458 PolarHBondContact O-OG1 3.48Å; A436-V471 PolarHBondContact N-O 3.16Å
437	G	93.8	Very high	96.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	166.1	-171.8	0	0	0	0	0	113.1	I62 T435 P439 I456 T458	I62-G437 WeakPolarHBondContact CD1-O 3.33Å; T435-G437 PolarHBondContact O-N 3.2Å; T435-G437 VanDerWaalsContact O-N 3.08Å; G437-P439 WeakPolarHBondContact O-CD 3.42Å; G437-I456 CarbonylContact C-O 3.55Å; G437-I456 WeakPolarHBondContact CA-O 3.39Å; G437-T458 PolarHBondContact N-OG1 3.34Å
438	Q	94.7	Very high	96.9	Very high	97 Å²	97	31.4 Å²	31.4	45%	0.453	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.5	178.1	-68.3	-169.6	-14.1	0	0	110.3	F455 I456 T458	Q438-F455 CarbonylContact O-C 3.59Å; Q438-F455 VanDerWaalsContact O-CA 3.24Å; Q438-F455 WeakPolarHBondContact O-CA 3.46Å; Q438-F455 VanDerWaalsContact O-CB 3.32Å; Q438-F455 WeakPolarHBondContact O-CB 3.36Å; Q438-I456 HydrophobicContact CB-CB 4.49Å; Q438-I456 PolarHBondContact N-O 3.29Å; Q438-I456 PolarHBondContact O-N 3.25Å; Q438-T458 HydrophobicContact CG-CG2 4.16Å
439	P	97.2	Very high	97	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138	176.6	-19.2	31.5	0	0	0	111.6	I62 F402 G437 Y453	I62-P439 HydrophobicContact CD1-CG 4.42Å; I62-P439 HydrophobicContact CG2-CG 4.07Å; F402-P439 HydrophobicContact CD1-CB 3.56Å; F402-P439 HydrophobicContact CD1-CG 4.2Å; F402-P439 HydrophobicContact CD2-CB 3.96Å; F402-P439 HydrophobicContact CE1-CB 3.26Å; F402-P439 HydrophobicContact CE1-CG 4.27Å; F402-P439 HydrophobicContact CE2-CB 3.69Å; F402-P439 HydrophobicContact CG-CB 3.88Å; F402-P439 HydrophobicContact CZ-CB 3.3Å; G437-P439 WeakPolarHBondContact O-CD 3.42Å; P439-Y453 HydrophobicContact CB-CE2 4.11Å
440	V	97.6	Very high	97	Very high	75 Å²	75	33.9 Å²	33.9	46%	0.455	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-47.7	-179.6	174.7	0	0	0	0	110.8	A454 I456 L522	V440-A454 HydrophobicContact CB-CB 4.42Å; V440-A454 WeakPolarHBondContact CB-O 3.33Å; V440-A454 PolarHBondContact N-O 3.49Å; V440-I456 HydrophobicContact CG2-CD1 4.14Å; V440-I456 HydrophobicContact CG2-CG1 3.69Å; V440-L522 HydrophobicContact CB-CD1 4.42Å; V440-L522 HydrophobicContact CG2-CD1 4.06Å
441	Q	98.4	Very high	97	Very high	75 Å²	75	33.9 Å²	33.9	35%	0.35	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	136.7	-177.7	-175.1	174.3	-5.5	0	0	110.6	F402 E443 Y452 Y453 A454	F402-Q441 VanDerWaalsContact CZ-C 3.47Å; Q441-E443 HydrophobicContact CG-CG 4.32Å; Q441-E443 PolarHBondContact NE2-OE1 3.08Å; Q441-Y452 HydrophobicContact CB-CE1 4.04Å; Q441-Y452 HydrophobicContact CG-CD1 4.06Å; Q441-Y452 HydrophobicContact CG-CE1 3.89Å; Q441-Y453 CarbonylContact O-C 3.49Å; Q441-Y453 WeakPolarHBondContact O-CA 3.37Å; Q441-Y453 WeakPolarHBondContact O-CD2 3.11Å; Q441-A454 HydrophobicContact CB-CB 4.38Å; Q441-A454 PolarHBondContact N-O 2.87Å; Q441-A454 PolarHBondContact O-N 3.04Å
442	L	98.7	Very high	97	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.9	176.3	167.6	62	0	0	0	108.5	L64 D399 F402 P432 F451 Y453	L64-L442 HydrophobicContact CD2-CD2 3.72Å; D399-L442 HydrophobicContact CB-CD2 4.12Å; D399-L442 HydrophobicContact CB-CG 3.99Å; F402-L442 HydrophobicContact CD1-CB 4.13Å; F402-L442 HydrophobicContact CD1-CD2 4.13Å; F402-L442 HydrophobicContact CE1-CB 3.33Å; F402-L442 HydrophobicContact CE1-CD2 4.04Å; F402-L442 HydrophobicContact CE1-CG 4.32Å; F402-L442 HydrophobicContact CZ-CB 3.63Å; P432-L442 HydrophobicContact CG-CD1 4.4Å; P432-L442 HydrophobicContact CG-CD2 4.43Å; L442-F451 HydrophobicContact CD1-CD2 4.29Å; L442-F451 HydrophobicContact CD1-CE2 3.47Å; L442-F451 VanDerWaalsContact CD1-CE2 3.47Å; L442-F451 HydrophobicContact CD1-CZ 4.23Å; L442-Y453 HydrophobicContact CB-CD2 4.19Å; L442-Y453 HydrophobicContact CD1-CD2 4.38Å
443	E	98.3	Very high	97.1	Very high	95 Å²	95	36 Å²	36	44%	0.444	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	136	177.3	-64.7	-178.4	-175.6	0	0	110	Q441 F451 Y452	Q441-E443 HydrophobicContact CG-CG 4.32Å; Q441-E443 PolarHBondContact NE2-OE1 3.08Å; E443-F451 WeakPolarHBondContact O-CA 3.18Å; E443-Y452 PolarHBondContact N-O 3.48Å; E443-Y452 PolarHBondContact O-N 3.24Å
444	F	98.5	Very high	97.1	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125.2	170.2	-179.9	-107.9	0	0	0	109.2	R429 V446 F451 H481	R429-F444 HydrophobicContact CB-CD1 3.56Å; R429-F444 HydrophobicContact CB-CE1 3.91Å; R429-F444 HydrophobicContact CB-CG 4.18Å; R429-F444 HydrophobicContact CG-CD1 3.8Å; R429-F444 HydrophobicContact CG-CE1 4.07Å; R429-F444 PolarHBondContact NH2-O 3.07Å; F444-V446 HydrophobicContact CE1-CB 4.29Å; F444-F451 HydrophobicContact CD2-CB 4.02Å; F444-F451 HydrophobicContact CD2-CD2 4.4Å; F444-H481 AromaticContact CE1-CE1 3.93Å; F444-H481 AromaticContact CE1-NE2 3.65Å; F444-H481 HydrophobicContact CZ-CB 4.4Å; F444-H481 AromaticContact CZ-CD2 3.45Å; F444-H481 VanDerWaalsContact CZ-CD2 3.45Å; F444-H481 WeakPolarHBondContact CZ-CD2 3.4Å; F444-H481 AromaticContact CZ-CE1 3.66Å; F444-H481 AromaticContact CZ-CG 3.69Å; F444-H481 AromaticContact CZ-ND1 3.83Å; F444-H481 AromaticContact CZ-NE2 3.47Å; F444-H481 WeakPolarHBondContact CZ-NE2 3.23Å
445	D	97.5	Very high	97.1	Very high	73 Å²	73	34.8 Å²	34.8	39%	0.39	19%	0.185	S	C	.	.			trans	-95.6	111.4	172.8	178.1	-19.1	0	0	0	108.4	D447 S448 G449 V450	D445-D447 PolarHBondContact O-N 3.26Å; D445-D447 WeakPolarHBondContact OD1-CA 3.05Å; D445-D447 WeakPolarHBondContact OD1-CB 3.21Å; D445-D447 PolarHBondContact OD1-N 2.98Å; D445-S448 VanDerWaalsContact CB-OG 3.28Å; D445-S448 WeakPolarHBondContact CB-OG 3.5Å; D445-S448 PolarHBondContact OD1-N 3.35Å; D445-S448 WeakPolarHBondContact OD2-CB 3.37Å; D445-S448 PolarHBondContact OD2-OG 3.17Å; D445-G449 WeakPolarHBondContact O-CA 3.45Å; D445-G449 PolarHBondContact O-N 3.01Å; D445-V450 PolarHBondContact N-O 3.42Å
446	V	95	Very high	96.9	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.048	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.6	-178.8	66.2	0	0	0	0	113	K425 F444	K425-V446 HydrophobicContact CD-CG2 4.41Å; K425-V446 WeakPolarHBondContact CE-O 3.37Å; K425-V446 HydrophobicContact CG-CG2 3.99Å; K425-V446 PolarHBondContact NZ-O 3.19Å; K425-V446 WeakPolarHBondContact O-CG2 3.37Å; F444-V446 HydrophobicContact CE1-CB 4.29Å
447	D	93.4	Very high	96.8	Very high	123 Å²	123	38.4 Å²	38.4	66%	0.658	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-47.6	-176.9	-68.7	-36.7	0	0	0	110.9	D445	D445-D447 PolarHBondContact O-N 3.26Å; D445-D447 WeakPolarHBondContact OD1-CA 3.05Å; D445-D447 WeakPolarHBondContact OD1-CB 3.21Å; D445-D447 PolarHBondContact OD1-N 2.98Å
448	S	95.5	Very high	96.5	Very high	53 Å²	53	42 Å²	42	37%	0.371	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-15.2	-179.6	70.9	0	0	0	0	114.3	D445 V450 P529	D445-S448 VanDerWaalsContact CB-OG 3.28Å; D445-S448 WeakPolarHBondContact CB-OG 3.5Å; D445-S448 PolarHBondContact OD1-N 3.35Å; D445-S448 WeakPolarHBondContact OD2-CB 3.37Å; D445-S448 PolarHBondContact OD2-OG 3.17Å; S448-V450 PolarHBondContact O-N 2.84Å; S448-V450 WeakPolarHBondContact OG-CB 3.29Å; S448-V450 WeakPolarHBondContact OG-CG2 3.46Å; S448-V450 PolarHBondContact OG-N 3.02Å; S448-P529 VanDerWaalsContact O-CG 3.28Å; S448-P529 WeakPolarHBondContact O-CG 3.22Å
449	G	96.3	Very high	95.6	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	22%	0.22	C	C	.	.			trans	69	8.3	-174	0	0	0	0	0	113.9	D445 Y482 P529	D445-G449 WeakPolarHBondContact O-CA 3.45Å; D445-G449 PolarHBondContact O-N 3.01Å; G449-Y482 WeakPolarHBondContact O-CE1 3.43Å; G449-Y482 PolarHBondContact O-OH 3.15Å; G449-P529 WeakPolarHBondContact O-CD 3.42Å
450	V	98.3	Very high	94.4	Very high	51 Å²	51	46 Å²	46	31%	0.309	24%	0.241	S	C	.	.			trans	-74	130.4	179.8	177	0	0	0	0	109.5	D445 S448 I528	D445-V450 PolarHBondContact N-O 3.42Å; S448-V450 PolarHBondContact O-N 2.84Å; S448-V450 WeakPolarHBondContact OG-CB 3.29Å; S448-V450 WeakPolarHBondContact OG-CG2 3.46Å; S448-V450 PolarHBondContact OG-N 3.02Å; V450-I528 HydrophobicContact CG1-CG1 4.47Å; V450-I528 HydrophobicContact CG2-CG2 4.35Å
451	F	98.8	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.8	178.8	169.4	-100.9	0	0	0	110.3	T430 L442 E443 F444 Y453 I474 I525 T526 I527	T430-F451 HydrophobicContact CG2-CB 3.75Å; T430-F451 HydrophobicContact CG2-CD1 3.76Å; T430-F451 HydrophobicContact CG2-CD2 3.51Å; T430-F451 HydrophobicContact CG2-CE1 4.16Å; T430-F451 HydrophobicContact CG2-CE2 3.92Å; T430-F451 HydrophobicContact CG2-CG 3.38Å; T430-F451 HydrophobicContact CG2-CZ 4.2Å; T430-F451 WeakPolarHBondContact O-CD2 3.47Å; T430-F451 VanDerWaalsContact O-CE2 3.24Å; T430-F451 WeakPolarHBondContact O-CE2 3.09Å; L442-F451 HydrophobicContact CD1-CD2 4.29Å; L442-F451 HydrophobicContact CD1-CE2 3.47Å; L442-F451 VanDerWaalsContact CD1-CE2 3.47Å; L442-F451 HydrophobicContact CD1-CZ 4.23Å; E443-F451 WeakPolarHBondContact O-CA 3.18Å; F444-F451 HydrophobicContact CD2-CB 4.02Å; F444-F451 HydrophobicContact CD2-CD2 4.4Å; F451-Y453 HydrophobicContact CZ-CG 4.18Å; F451-I474 HydrophobicContact CE1-CD1 3.92Å; F451-I474 HydrophobicContact CE1-CG2 4.08Å; F451-I474 HydrophobicContact CZ-CD1 4.15Å; F451-I474 HydrophobicContact CZ-CG1 4.4Å; F451-I474 HydrophobicContact CZ-CG2 4.03Å; F451-I525 HydrophobicContact CE1-CG2 4.23Å; F451-T526 VanDerWaalsContact O-CA 3.3Å; F451-T526 WeakPolarHBondContact O-CA 3.13Å; F451-T526 WeakPolarHBondContact O-CG2 3Å; F451-I527 HydrophobicContact CB-CB 4.19Å; F451-I527 HydrophobicContact CD1-CB 4.15Å; F451-I527 HydrophobicContact CD1-CD1 3.81Å; F451-I527 HydrophobicContact CD1-CG1 3.91Å; F451-I527 HydrophobicContact CE1-CD1 4.2Å; F451-I527 PolarHBondContact N-O 2.82Å; F451-I527 PolarHBondContact O-N 2.66Å
452	Y	98.7	Very high	92.2	Very high	46 Å²	46	46.4 Å²	46.4	18%	0.18	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.6	171.4	177.9	-95	0	0	0	110.3	Q441 E443 A454 E524 I525	Q441-Y452 HydrophobicContact CB-CE1 4.04Å; Q441-Y452 HydrophobicContact CG-CD1 4.06Å; Q441-Y452 HydrophobicContact CG-CE1 3.89Å; E443-Y452 PolarHBondContact N-O 3.48Å; E443-Y452 PolarHBondContact O-N 3.24Å; Y452-A454 HydrophobicContact CE1-CB 3.88Å; Y452-E524 HydrophobicContact CE2-CB 4.18Å; Y452-E524 WeakPolarHBondContact CE2-OE2 3.11Å; Y452-E524 VanDerWaalsContact OH-CD 3.3Å; Y452-E524 PolarHBondContact OH-OE2 2.89Å; Y452-I525 WeakPolarHBondContact CA-O 3.33Å
453	Y	98.8	Very high	91.2	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	131.6	173.7	179.6	-130	0	0	0	111.4	F402 P432 T435 P439 Q441 L442 F451 F455 I474 E524 I525	F402-Y453 HydrophobicContact CE1-CD2 4.26Å; F402-Y453 AromaticContact CE1-CE2 3.66Å; F402-Y453 HydrophobicContact CE1-CE2 3.66Å; F402-Y453 HydrophobicContact CZ-CE2 4.07Å; P432-Y453 HydrophobicContact CB-CD1 3.9Å; P432-Y453 HydrophobicContact CB-CE1 3.52Å; P432-Y453 HydrophobicContact CB-CE2 4.44Å; P432-Y453 HydrophobicContact CB-CG 4.44Å; P432-Y453 HydrophobicContact CG-CD1 4.02Å; P432-Y453 HydrophobicContact CG-CD2 3.92Å; P432-Y453 HydrophobicContact CG-CE1 3.77Å; P432-Y453 HydrophobicContact CG-CE2 3.76Å; P432-Y453 HydrophobicContact CG-CG 4.08Å; T435-Y453 WeakPolarHBondContact CB-OH 3.18Å; T435-Y453 HydrophobicContact CG2-CE1 4.09Å; T435-Y453 WeakPolarHBondContact CG2-OH 3.3Å; T435-Y453 PolarHBondContact OG1-OH 2.61Å; P439-Y453 HydrophobicContact CB-CE2 4.11Å; Q441-Y453 CarbonylContact O-C 3.49Å; Q441-Y453 WeakPolarHBondContact O-CA 3.37Å; Q441-Y453 WeakPolarHBondContact O-CD2 3.11Å; L442-Y453 HydrophobicContact CB-CD2 4.19Å; L442-Y453 HydrophobicContact CD1-CD2 4.38Å; F451-Y453 HydrophobicContact CZ-CG 4.18Å; Y453-F455 AromaticContact CD1-CD1 3.74Å; Y453-F455 HydrophobicContact CD1-CD1 3.74Å; Y453-F455 HydrophobicContact CD1-CE1 4.12Å; Y453-F455 HydrophobicContact CE1-CB 4.31Å; Y453-F455 AromaticContact CE1-CD1 3.31Å; Y453-F455 HydrophobicContact CE1-CD1 3.31Å; Y453-F455 AromaticContact CE1-CE1 3.84Å; Y453-F455 HydrophobicContact CE1-CE1 3.84Å; Y453-F455 HydrophobicContact CE1-CG 4.04Å; Y453-F455 HydrophobicContact CE2-CB 4.41Å; Y453-F455 AromaticContact CZ-CD1 3.81Å; Y453-I474 HydrophobicContact CD1-CD1 4.26Å; Y453-E524 CarbonylContact O-C 3.52Å; Y453-E524 WeakPolarHBondContact O-CA 3.37Å; Y453-I525 PolarHBondContact N-O 3.49Å; Y453-I525 PolarHBondContact O-N 2.79Å
454	A	98.5	Very high	90.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.6	176	0	0	0	0	0	111.4	V440 Q441 Y452 L522 I523 E524	V440-A454 HydrophobicContact CB-CB 4.42Å; V440-A454 WeakPolarHBondContact CB-O 3.33Å; V440-A454 PolarHBondContact N-O 3.49Å; Q441-A454 HydrophobicContact CB-CB 4.38Å; Q441-A454 PolarHBondContact N-O 2.87Å; Q441-A454 PolarHBondContact O-N 3.04Å; Y452-A454 HydrophobicContact CE1-CB 3.88Å; A454-L522 HydrophobicContact CB-CD1 4.2Å; A454-I523 CarbonylContact C-O 3.33Å; A454-I523 WeakPolarHBondContact CA-O 3.4Å; A454-E524 HydrophobicContact CB-CG 4.13Å
455	F	97.3	Very high	89.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.7	178.7	66	-83.6	0	0	0	112.3	T435 Q438 Y453 V471 A472 I523 I525	T435-F455 HydrophobicContact CG2-CB 3.95Å; T435-F455 HydrophobicContact CG2-CD1 4.03Å; T435-F455 HydrophobicContact CG2-CD2 3.39Å; T435-F455 HydrophobicContact CG2-CE1 4.37Å; T435-F455 HydrophobicContact CG2-CE2 3.76Å; T435-F455 HydrophobicContact CG2-CG 3.52Å; T435-F455 HydrophobicContact CG2-CZ 4.24Å; Q438-F455 CarbonylContact O-C 3.59Å; Q438-F455 VanDerWaalsContact O-CA 3.24Å; Q438-F455 WeakPolarHBondContact O-CA 3.46Å; Q438-F455 VanDerWaalsContact O-CB 3.32Å; Q438-F455 WeakPolarHBondContact O-CB 3.36Å; Y453-F455 AromaticContact CD1-CD1 3.74Å; Y453-F455 HydrophobicContact CD1-CD1 3.74Å; Y453-F455 HydrophobicContact CD1-CE1 4.12Å; Y453-F455 HydrophobicContact CE1-CB 4.31Å; Y453-F455 AromaticContact CE1-CD1 3.31Å; Y453-F455 HydrophobicContact CE1-CD1 3.31Å; Y453-F455 AromaticContact CE1-CE1 3.84Å; Y453-F455 HydrophobicContact CE1-CE1 3.84Å; Y453-F455 HydrophobicContact CE1-CG 4.04Å; Y453-F455 HydrophobicContact CE2-CB 4.41Å; Y453-F455 AromaticContact CZ-CD1 3.81Å; F455-V471 HydrophobicContact CE2-CB 4.12Å; F455-V471 HydrophobicContact CZ-CB 3.96Å; F455-V471 HydrophobicContact CZ-CG2 4.05Å; F455-A472 HydrophobicContact CE1-CB 4.22Å; F455-A472 HydrophobicContact CZ-CB 4.18Å; F455-I523 HydrophobicContact CD1-CB 4.28Å; F455-I523 HydrophobicContact CD1-CG2 4.39Å; F455-I523 HydrophobicContact CE1-CB 3.86Å; F455-I523 HydrophobicContact CE1-CG2 3.61Å; F455-I523 HydrophobicContact CE2-CB 4.18Å; F455-I523 HydrophobicContact CE2-CD1 3.78Å; F455-I523 HydrophobicContact CE2-CG1 4.48Å; F455-I523 HydrophobicContact CZ-CB 3.81Å; F455-I523 HydrophobicContact CZ-CD1 3.77Å; F455-I523 HydrophobicContact CZ-CG1 4.38Å; F455-I523 HydrophobicContact CZ-CG2 3.71Å; F455-I523 PolarHBondContact N-O 2.88Å; F455-I523 PolarHBondContact O-N 3.16Å; F455-I525 HydrophobicContact CE1-CD1 4.1Å
456	I	94.7	Very high	88.5	Confident	72 Å²	72	60.7 Å²	60.7	37%	0.369	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.2	175.3	-54.7	-179.2	0	0	0	108.3	G437 Q438 V440 T458 E521 L522	G437-I456 CarbonylContact C-O 3.55Å; G437-I456 WeakPolarHBondContact CA-O 3.39Å; Q438-I456 HydrophobicContact CB-CB 4.49Å; Q438-I456 PolarHBondContact N-O 3.29Å; Q438-I456 PolarHBondContact O-N 3.25Å; V440-I456 HydrophobicContact CG2-CD1 4.14Å; V440-I456 HydrophobicContact CG2-CG1 3.69Å; I456-T458 PolarHBondContact O-N 3.41Å; I456-E521 WeakPolarHBondContact CG1-O 3.29Å; I456-L522 HydrophobicContact CG1-CD1 4.37Å
457	P	92.4	Very high	88.2	Confident	10 Å²	10	62.3 Å²	62.3	7%	0.065	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.5	-179.3	26.2	-33.2	0	0	0	111.5	I520 I523	P457-I520 HydrophobicContact CG-CB 4.44Å; P457-I520 HydrophobicContact CG-CG2 4.21Å; P457-I523 HydrophobicContact CB-CD1 4Å; P457-I523 HydrophobicContact CG-CD1 3.99Å; P457-I523 HydrophobicContact CG-CG1 4.27Å
458	T	87	Confident	88	Confident	77 Å²	77	58.8 Å²	58.8	47%	0.472	33%	0.332	S	S	.	.			trans	-90.3	-28.4	177.6	48.1	0	0	0	0	112.1	A436 G437 Q438 I456 K460	A436-T458 PolarHBondContact O-N 3.33Å; A436-T458 VanDerWaalsContact O-N 3.08Å; A436-T458 PolarHBondContact O-OG1 3.48Å; G437-T458 PolarHBondContact N-OG1 3.34Å; Q438-T458 HydrophobicContact CG-CG2 4.16Å; I456-T458 PolarHBondContact O-N 3.41Å; T458-K460 PolarHBondContact O-N 3.4Å
459	Q	77.4	Confident	87.8	Confident	71 Å²	71	57.6 Å²	57.6	33%	0.332	32%	0.321	S	S	.	.			trans	-75.4	107.6	176.9	-172.1	171.8	6.9	0	0	110.8	N461 L469 I516	Q459-N461 PolarHBondContact NE2-O 2.94Å; Q459-L469 HydrophobicContact CG-CD1 4.06Å; Q459-I516 VanDerWaalsContact O-CG2 3.27Å; Q459-I516 WeakPolarHBondContact O-CG2 3.33Å
460	K	71.6	Confident	87.6	Confident	124 Å²	124	59.3 Å²	59.3	54%	0.539	33%	0.33	S	S	.	.			trans	-103.1	-11.4	178.8	-61.3	-168.1	178.4	-169.7	0	114.6	T458 I516	T458-K460 PolarHBondContact O-N 3.4Å; K460-I516 WeakPolarHBondContact O-CG2 3.35Å
461	N	72.1	Confident	87.5	Confident	138 Å²	138	57 Å²	57	74%	0.738	32%	0.316	S	S	*	.			trans	-107.4	125.3	-176.3	-69.6	-17.4	0	0	0	110.6	Q459	Q459-N461 PolarHBondContact NE2-O 2.94Å
462	C	77.8	Confident	87.4	Confident	20 Å²	20	57 Å²	57	14%	0.135	32%	0.316	C	S	.	.			trans	-128	126.9	166.6	-176.6	0	0	0	0	110.1	N464 S467 L469 C513	C462-N464 PolarHBondContact SG-O 3.3Å; C462-S467 PolarHBondContact SG-OG 3.32Å; C462-S467 VanDerWaalsContact SG-OG 3.33Å; C462-L469 HydrophobicContact CB-CD1 3.64Å; C462-L469 HydrophobicContact CB-CG 4.33Å; C462-C513 HydrophobicContact CB-CB 3.45Å; C462-C513 VanDerWaalsContact CB-CB 3.45Å; C462-C513 WeakPolarHBondContact CB-SG 3.47Å; C462-C513 WeakPolarHBondContact SG-CB 3.46Å; C462-C513 CovalentContact SG-SG 2Å; C462-C513 PolarHBondContact SG-SG 3.28Å
463	T	77.5	Confident	87.3	Confident	154 Å²	154	56.7 Å²	56.7	95%	0.945	32%	0.316	S	S	*	.	S	Bend	trans	-81.3	-26.3	-176.3	52.2	0	0	0	0	113.2
464	N	81.6	Confident	87.3	Confident	84 Å²	84	56.6 Å²	56.6	45%	0.449	32%	0.316	S	S	.	.			trans	-119.1	107.6	178.7	-176.9	-3.3	0	0	0	110.7	C462 N466 S467 C513	C462-N464 PolarHBondContact SG-O 3.3Å; N464-N466 PolarHBondContact O-N 2.87Å; N464-N466 VanDerWaalsContact O-N 3.12Å; N464-N466 PolarHBondContact OD1-N 3.22Å; N464-N466 VanDerWaalsContact OD1-N 3.1Å; N464-S467 WeakPolarHBondContact O-CB 3.41Å; N464-S467 PolarHBondContact O-N 3.28Å; N464-S467 PolarHBondContact O-OG 3.13Å; N464-C513 WeakPolarHBondContact O-CB 3.35Å; N464-C513 PolarHBondContact O-SG 2.98Å
465	V	76.3	Confident	87.3	Confident	84 Å²	84	56.6 Å²	56.6	51%	0.509	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.7	-177.7	-176	0	0	0	0	112.8	S467 N514	V465-S467 VanDerWaalsContact C-N 3.3Å; V465-N514 HydrophobicContact CG1-CB 4.08Å
466	N	80.3	Confident	87.3	Confident	156 Å²	156	56.6 Å²	56.6	83%	0.834	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	1.1	178.6	-65.3	-28.8	0	0	0	113.7	N464	N464-N466 PolarHBondContact O-N 2.87Å; N464-N466 VanDerWaalsContact O-N 3.12Å; N464-N466 PolarHBondContact OD1-N 3.22Å; N464-N466 VanDerWaalsContact OD1-N 3.1Å
467	S	87.5	Confident	87.3	Confident	42 Å²	42	53.1 Å²	53.1	29%	0.294	30%	0.298	S	S	.	.			trans	-94.4	168.9	177.1	70.7	0	0	0	0	112	C462 N464 V465 C513	C462-S467 PolarHBondContact SG-OG 3.32Å; C462-S467 VanDerWaalsContact SG-OG 3.33Å; N464-S467 WeakPolarHBondContact O-CB 3.41Å; N464-S467 PolarHBondContact O-N 3.28Å; N464-S467 PolarHBondContact O-OG 3.13Å; V465-S467 VanDerWaalsContact C-N 3.3Å; S467-C513 WeakPolarHBondContact O-CB 3.44Å; S467-C513 PolarHBondContact O-N 2.96Å; S467-C513 PolarHBondContact O-SG 2.83Å; S467-C513 PolarHBondContact OG-SG 2.73Å
468	A	88.9	Confident	87.3	Confident	48 Å²	48	54.8 Å²	54.8	40%	0.397	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.8	170.9	0	0	0	0	0	108.8	I511	A468-I511 CarbonylContact C-O 3.53Å; A468-I511 VanDerWaalsContact CA-O 3.24Å; A468-I511 WeakPolarHBondContact CA-O 3.42Å
469	L	91.4	Very high	87.5	Confident	28 Å²	28	54.9 Å²	54.9	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.5	-178.4	-68.2	174.5	0	0	0	110	Q459 C462 V471 Y510 I511 I516	Q459-L469 HydrophobicContact CG-CD1 4.06Å; C462-L469 HydrophobicContact CB-CD1 3.64Å; C462-L469 HydrophobicContact CB-CG 4.33Å; L469-V471 PolarHBondContact O-N 3.5Å; L469-Y510 CarbonylContact O-C 3.56Å; L469-Y510 WeakPolarHBondContact O-CA 3.46Å; L469-I511 HydrophobicContact CB-CG2 4.46Å; L469-I511 PolarHBondContact N-O 3.25Å; L469-I511 PolarHBondContact O-N 3.04Å; L469-I516 HydrophobicContact CB-CD1 3.84Å; L469-I516 HydrophobicContact CD1-CD1 3.36Å; L469-I516 HydrophobicContact CG-CD1 4.09Å
470	L	93.3	Very high	88.1	Confident	39 Å²	39	53.3 Å²	53.3	20%	0.204	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.8	170.3	179.1	66.8	0	0	0	108.5	F61 E473 F508 F509 Y510	F61-L470 HydrophobicContact CE1-CD2 4.11Å; F61-L470 HydrophobicContact CE1-CG 4.01Å; F61-L470 HydrophobicContact CZ-CB 4.37Å; F61-L470 HydrophobicContact CZ-CD2 4.17Å; F61-L470 HydrophobicContact CZ-CG 4.11Å; F61-L470 WeakPolarHBondContact CZ-O 3.37Å; L470-E473 HydrophobicContact CD1-CG 4.44Å; L470-E473 HydrophobicContact CD2-CG 4.32Å; L470-F508 HydrophobicContact CD1-CB 3.87Å; L470-F508 HydrophobicContact CD1-CD1 3.74Å; L470-F508 HydrophobicContact CD1-CG 4.29Å; L470-F508 HydrophobicContact CD2-CD1 4.13Å; L470-F509 WeakPolarHBondContact CA-O 3.35Å; L470-F509 WeakPolarHBondContact CD1-O 3.36Å; L470-Y510 HydrophobicContact CB-CD1 4.14Å; L470-Y510 HydrophobicContact CB-CE1 3.9Å; L470-Y510 HydrophobicContact CD1-CE1 4.1Å; L470-Y510 HydrophobicContact CD1-CE2 4.43Å
471	V	94.8	Very high	89.2	Confident	1 Å²	1	48 Å²	48	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-24.8	-178.6	-71	0	0	0	0	113.7	A436 F455 L469 L495 F509 I511 I523	A436-V471 PolarHBondContact N-O 3.16Å; F455-V471 HydrophobicContact CE2-CB 4.12Å; F455-V471 HydrophobicContact CZ-CB 3.96Å; F455-V471 HydrophobicContact CZ-CG2 4.05Å; L469-V471 PolarHBondContact O-N 3.5Å; V471-L495 HydrophobicContact CG2-CD1 3.87Å; V471-F509 HydrophobicContact CG2-CB 4.25Å; V471-F509 WeakPolarHBondContact CG2-O 3.34Å; V471-F509 PolarHBondContact N-O 3.44Å; V471-I511 HydrophobicContact CG1-CB 4.27Å; V471-I511 HydrophobicContact CG1-CG2 3.44Å; V471-I511 VanDerWaalsContact CG1-CG2 3.44Å; V471-I511 HydrophobicContact CG2-CB 4.45Å; V471-I511 HydrophobicContact CG2-CG2 4.46Å; V471-I523 HydrophobicContact CB-CD1 4.41Å; V471-I523 HydrophobicContact CG1-CD1 4.39Å; V471-I523 HydrophobicContact CG2-CD1 4.29Å
472	A	97.2	Very high	90.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	148	175.2	0	0	0	0	0	111.8	S434 F455 I474 F509 I525	S434-A472 CarbonylContact O-C 3.56Å; S434-A472 VanDerWaalsContact O-CA 3.26Å; S434-A472 WeakPolarHBondContact O-CA 3.12Å; F455-A472 HydrophobicContact CE1-CB 4.22Å; F455-A472 HydrophobicContact CZ-CB 4.18Å; A472-I474 HydrophobicContact CB-CD1 4.42Å; A472-I474 HydrophobicContact CB-CG1 4.45Å; A472-F509 HydrophobicContact CB-CB 4.23Å; A472-F509 PolarHBondContact O-N 2.75Å; A472-I525 HydrophobicContact CB-CD1 4.45Å
473	E	97.5	Very high	91	Very high	40 Å²	40	44.4 Å²	44.4	19%	0.187	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.9	166.1	-60.7	174.9	171.5	0	0	107	P432 Q433 S434 L470 L506 M507 F508	P432-E473 CarbonylContact C-O 3.59Å; P432-E473 WeakPolarHBondContact CA-O 3.49Å; Q433-E473 PolarHBondContact N-O 2.96Å; S434-E473 WeakPolarHBondContact CB-OE2 3.22Å; S434-E473 PolarHBondContact N-O 2.53Å; S434-E473 PolarHBondContact O-N 2.87Å; S434-E473 PolarHBondContact OG-OE2 3.3Å; L470-E473 HydrophobicContact CD1-CG 4.44Å; L470-E473 HydrophobicContact CD2-CG 4.32Å; E473-L506 HydrophobicContact CB-CD1 4.38Å; E473-M507 CarbonylContact C-O 3.6Å; E473-M507 WeakPolarHBondContact CA-O 3.47Å; E473-F508 HydrophobicContact CG-CD1 3.94Å; E473-F508 HydrophobicContact CG-CE1 3.83Å; E473-F508 HydrophobicContact CG-CZ 4.39Å; E473-F508 VanDerWaalsContact OE1-CE1 3.31Å; E473-F508 WeakPolarHBondContact OE1-CE1 3.25Å
474	I	98.5	Very high	91.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	-177.5	-69.3	161.9	0	0	0	108.8	T430 Y431 P432 F451 Y453 A472 M507 F509 I525 I527	T430-I474 HydrophobicContact CG2-CG2 3.75Å; Y431-I474 WeakPolarHBondContact O-CA 3.42Å; P432-I474 HydrophobicContact CB-CG1 4.08Å; F451-I474 HydrophobicContact CE1-CD1 3.92Å; F451-I474 HydrophobicContact CE1-CG2 4.08Å; F451-I474 HydrophobicContact CZ-CD1 4.15Å; F451-I474 HydrophobicContact CZ-CG1 4.4Å; F451-I474 HydrophobicContact CZ-CG2 4.03Å; Y453-I474 HydrophobicContact CD1-CD1 4.26Å; A472-I474 HydrophobicContact CB-CD1 4.42Å; A472-I474 HydrophobicContact CB-CG1 4.45Å; I474-M507 PolarHBondContact N-O 2.86Å; I474-M507 PolarHBondContact O-N 3.49Å; I474-F509 HydrophobicContact CB-CD2 4.39Å; I474-F509 HydrophobicContact CB-CE2 3.87Å; I474-F509 HydrophobicContact CD1-CD2 3.84Å; I474-F509 HydrophobicContact CD1-CE2 3.55Å; I474-F509 HydrophobicContact CD1-CZ 4.05Å; I474-F509 HydrophobicContact CG1-CD2 4.32Å; I474-F509 HydrophobicContact CG1-CE2 4.1Å; I474-I525 HydrophobicContact CD1-CB 4.42Å; I474-I525 HydrophobicContact CD1-CD1 3.62Å; I474-I525 HydrophobicContact CD1-CG2 3.98Å; I474-I527 HydrophobicContact CG2-CD1 4.25Å
475	F	98.1	Very high	92.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.1	168	173	-98.6	0	0	0	109.2	D93 G95 R429 T430 Y431 Q433 P477 N505	D93-F475 WeakPolarHBondContact O-CZ 3.32Å; G95-F475 VanDerWaalsContact CA-CE2 3.4Å; G95-F475 VanDerWaalsContact N-CE2 3.34Å; R429-F475 VanDerWaalsContact O-CD1 3.22Å; R429-F475 WeakPolarHBondContact O-CD1 3.28Å; T430-F475 CarbonylContact C-O 3.51Å; T430-F475 WeakPolarHBondContact CA-O 3.07Å; T430-F475 VanDerWaalsContact CG2-O 3.25Å; T430-F475 WeakPolarHBondContact CG2-O 3.43Å; Y431-F475 HydrophobicContact CD1-CB 4.15Å; Y431-F475 AromaticContact CD1-CD1 4Å; Y431-F475 HydrophobicContact CD1-CD1 4Å; Y431-F475 HydrophobicContact CE1-CB 3.93Å; Y431-F475 AromaticContact CE1-CD1 3.83Å; Y431-F475 HydrophobicContact CE1-CD1 3.83Å; Y431-F475 HydrophobicContact CE1-CG 4.15Å; Y431-F475 PolarHBondContact N-O 3.43Å; Y431-F475 PolarHBondContact O-N 2.81Å; Q433-F475 HydrophobicContact CG-CB 4.06Å; F475-P477 HydrophobicContact CE1-CB 3.75Å; F475-P477 HydrophobicContact CE1-CG 3.89Å; F475-P477 HydrophobicContact CZ-CB 3.66Å; F475-P477 HydrophobicContact CZ-CG 4.32Å; F475-N505 CarbonylContact C-O 3.51Å; F475-N505 VanDerWaalsContact CA-O 3.3Å; F475-N505 WeakPolarHBondContact CA-O 3.46Å; F475-N505 HydrophobicContact CD2-CB 3.88Å; F475-N505 WeakPolarHBondContact CD2-O 3.42Å; F475-N505 HydrophobicContact CE2-CB 3.45Å; F475-N505 VanDerWaalsContact CE2-CB 3.45Å; F475-N505 HydrophobicContact CZ-CB 4.28Å
476	A	97.4	Very high	93.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.			trans	-136.2	108.6	176.8	0	0	0	0	0	108.4	T430 M478 Y482 N505 M507	T430-A476 HydrophobicContact CG2-CB 4.14Å; A476-M478 PolarHBondContact O-N 3.46Å; A476-Y482 HydrophobicContact CB-CD2 4.24Å; A476-Y482 HydrophobicContact CB-CE2 3.91Å; A476-N505 PolarHBondContact N-O 3.13Å; A476-N505 WeakPolarHBondContact O-CA 3.11Å; A476-N505 VanDerWaalsContact O-CB 3.32Å; A476-N505 WeakPolarHBondContact O-CB 3.5Å; A476-M507 HydrophobicContact CB-CG 4.49Å; A476-M507 HydrophobicContact CB-SD 3.83Å
477	P	94.4	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.			trans	-76.1	92.7	-175.1	30.2	-35.6	0	0	0	111.2	S428 F475 S479 I480 H481	S428-P477 WeakPolarHBondContact O-CG 3.41Å; S428-P477 VanDerWaalsContact OG-CB 3.26Å; S428-P477 WeakPolarHBondContact OG-CB 3.32Å; F475-P477 HydrophobicContact CE1-CB 3.75Å; F475-P477 HydrophobicContact CE1-CG 3.89Å; F475-P477 HydrophobicContact CZ-CB 3.66Å; F475-P477 HydrophobicContact CZ-CG 4.32Å; P477-S479 VanDerWaalsContact C-N 3.32Å; P477-S479 PolarHBondContact O-N 3.38Å; P477-I480 HydrophobicContact CB-CB 4.18Å; P477-I480 HydrophobicContact CB-CD1 4.24Å; P477-I480 HydrophobicContact CB-CG1 4.47Å; P477-I480 PolarHBondContact O-N 3.39Å; P477-I480 VanDerWaalsContact O-N 3.11Å; P477-H481 HydrophobicContact CG-CB 4.31Å; P477-H481 VanDerWaalsContact CG-CD2 3.47Å; P477-H481 WeakPolarHBondContact CG-CD2 3Å; P477-H481 PolarHBondContact O-N 2.72Å
478	M	92.8	Very high	94.5	Very high	44 Å²	44	36.1 Å²	36.1	22%	0.217	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-39.6	-169.6	-63.7	-57.2	-61.9	0	0	112.9	A476 I480 Y482 P483 M486 T504 N505	A476-M478 PolarHBondContact O-N 3.46Å; M478-I480 VanDerWaalsContact C-N 3.32Å; M478-I480 PolarHBondContact O-N 2.88Å; M478-Y482 CarbonylContact O-C 3.59Å; M478-Y482 WeakPolarHBondContact O-CA 3.5Å; M478-Y482 PolarHBondContact O-N 3.39Å; M478-Y482 VanDerWaalsContact O-O 3.1Å; M478-Y482 HydrophobicContact SD-CD2 4.25Å; M478-P483 WeakPolarHBondContact O-CA 3.32Å; M478-M486 HydrophobicContact CE-SD 4.43Å; M478-M486 HydrophobicContact SD-SD 4.19Å; M478-T504 WeakPolarHBondContact CG-O 3.25Å; M478-N505 WeakPolarHBondContact CB-OD1 3.41Å; M478-N505 PolarHBondContact N-OD1 3.36Å
479	S	90.3	Very high	94.9	Very high	80 Å²	80	42.1 Å²	42.1	56%	0.559	21%	0.21	S	C	*	.	H	α-helix	trans	-75.8	-17.6	-178.7	57.8	0	0	0	0	114.3	P477	P477-S479 VanDerWaalsContact C-N 3.32Å; P477-S479 PolarHBondContact O-N 3.38Å
480	I	91.4	Very high	95.2	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.195	21%	0.208	C	C	.	.	H	α-helix	trans	-102.6	-52.8	-172.8	-60	172.9	0	0	0	110.3	L424 K425 S428 P477 M478	L424-I480 HydrophobicContact CD2-CD1 3.62Å; L424-I480 HydrophobicContact CG-CD1 3.83Å; K425-I480 HydrophobicContact CB-CG2 4.42Å; K425-I480 HydrophobicContact CG-CG2 4.21Å; S428-I480 WeakPolarHBondContact OG-CD1 3.38Å; P477-I480 HydrophobicContact CB-CB 4.18Å; P477-I480 HydrophobicContact CB-CD1 4.24Å; P477-I480 HydrophobicContact CB-CG1 4.47Å; P477-I480 PolarHBondContact O-N 3.39Å; P477-I480 VanDerWaalsContact O-N 3.11Å; M478-I480 VanDerWaalsContact C-N 3.32Å; M478-I480 PolarHBondContact O-N 2.88Å
481	H	94.2	Very high	95.3	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-107	-16.9	-172.8	-69.6	-62.6	0	0	0	113.6	K425 S428 F444 P477 P483 P529	K425-H481 WeakPolarHBondContact CG-CE1 3.19Å; K425-H481 PolarHBondContact O-CE1 3.03Å; K425-H481 PolarHBondContact O-NE2 3.05Å; S428-H481 PolarHBondContact O-CD2 3.24Å; S428-H481 PolarHBondContact O-NE2 3.26Å; F444-H481 AromaticContact CE1-CE1 3.93Å; F444-H481 AromaticContact CE1-NE2 3.65Å; F444-H481 HydrophobicContact CZ-CB 4.4Å; F444-H481 AromaticContact CZ-CD2 3.45Å; F444-H481 VanDerWaalsContact CZ-CD2 3.45Å; F444-H481 WeakPolarHBondContact CZ-CD2 3.4Å; F444-H481 AromaticContact CZ-CE1 3.66Å; F444-H481 AromaticContact CZ-CG 3.69Å; F444-H481 AromaticContact CZ-ND1 3.83Å; F444-H481 AromaticContact CZ-NE2 3.47Å; F444-H481 WeakPolarHBondContact CZ-NE2 3.23Å; P477-H481 HydrophobicContact CG-CB 4.31Å; P477-H481 VanDerWaalsContact CG-CD2 3.47Å; P477-H481 WeakPolarHBondContact CG-CD2 3Å; P477-H481 PolarHBondContact O-N 2.72Å; H481-P483 VanDerWaalsContact C-CD 3.44Å; H481-P529 WeakPolarHBondContact O-CG 3.38Å
482	Y	95	Very high	95.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	22%	0.22	C	C	.	.			trans	-131.6	44.1	-176.8	-46.8	-74.8	0	0	0	114.1	T430 G449 A476 M478 H484 G485 M486 I527 P529	T430-Y482 WeakPolarHBondContact OG1-CE2 3.44Å; T430-Y482 PolarHBondContact OG1-OH 3.21Å; G449-Y482 WeakPolarHBondContact O-CE1 3.43Å; G449-Y482 PolarHBondContact O-OH 3.15Å; A476-Y482 HydrophobicContact CB-CD2 4.24Å; A476-Y482 HydrophobicContact CB-CE2 3.91Å; M478-Y482 CarbonylContact O-C 3.59Å; M478-Y482 WeakPolarHBondContact O-CA 3.5Å; M478-Y482 PolarHBondContact O-N 3.39Å; M478-Y482 VanDerWaalsContact O-O 3.1Å; M478-Y482 HydrophobicContact SD-CD2 4.25Å; Y482-H484 PolarHBondContact O-N 2.86Å; Y482-H484 VanDerWaalsContact O-N 3.08Å; Y482-G485 WeakPolarHBondContact O-CA 3.42Å; Y482-G485 PolarHBondContact O-N 3.28Å; Y482-M486 HydrophobicContact CD1-CB 3.89Å; Y482-M486 HydrophobicContact CG-CB 4.32Å; Y482-I527 HydrophobicContact CD1-CG2 4.34Å; Y482-I527 HydrophobicContact CE1-CG2 3.72Å; Y482-P529 HydrophobicContact CD1-CB 4.04Å; Y482-P529 HydrophobicContact CD1-CG 3.71Å; Y482-P529 HydrophobicContact CE1-CB 4.44Å; Y482-P529 HydrophobicContact CE1-CG 3.64Å
483	P	92	Very high	95.1	Very high	82 Å²	82	52.1 Å²	52.1	53%	0.532	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.8	-172	25.1	-35.3	0	0	0	113.6	M478 H481	M478-P483 WeakPolarHBondContact O-CA 3.32Å; H481-P483 VanDerWaalsContact C-CD 3.44Å
484	H	94.1	Very high	94.8	Very high	98 Å²	98	55.3 Å²	55.3	45%	0.454	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.8	176.9	-53.3	-58.6	0	0	0	112.7	Y482 K530 N532	Y482-H484 PolarHBondContact O-N 2.86Å; Y482-H484 VanDerWaalsContact O-N 3.08Å; H484-K530 HydrophobicContact CB-CB 4.45Å; H484-K530 WeakPolarHBondContact O-CD 3.3Å; H484-N532 PolarHBondContact CD2-OD1 3.25Å; H484-N532 PolarHBondContact CE1-ND2 2.84Å; H484-N532 PolarHBondContact CE1-OD1 2.73Å; H484-N532 PolarHBondContact ND1-OD1 2.73Å; H484-N532 PolarHBondContact NE2-ND2 2.85Å; H484-N532 PolarHBondContact NE2-OD1 3.05Å; H484-N532 VanDerWaalsContact NE2-OD1 3.13Å
485	G	94.2	Very high	94.6	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	28%	0.275	C	S	.	.			trans	81.6	-171	-172.3	0	0	0	0	0	113	Y482 K530	Y482-G485 WeakPolarHBondContact O-CA 3.42Å; Y482-G485 PolarHBondContact O-N 3.28Å; G485-K530 PolarHBondContact O-N 3.32Å
486	M	95.3	Very high	94.5	Very high	19 Å²	19	58.3 Å²	58.3	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.8	-170	59.9	-169.2	-176.6	0	0	111.8	M478 Y482 Y497 M507 I527 I528 K530	M478-M486 HydrophobicContact CE-SD 4.43Å; M478-M486 HydrophobicContact SD-SD 4.19Å; Y482-M486 HydrophobicContact CD1-CB 3.89Å; Y482-M486 HydrophobicContact CG-CB 4.32Å; M486-Y497 HydrophobicContact CE-CE2 3.83Å; M486-M507 HydrophobicContact CE-CE 3.18Å; M486-M507 HydrophobicContact CE-CG 4.46Å; M486-M507 HydrophobicContact CE-SD 3.5Å; M486-M507 VanDerWaalsContact CE-SD 3.5Å; M486-M507 HydrophobicContact SD-CE 4.03Å; M486-M507 HydrophobicContact SD-SD 3.86Å; M486-I527 HydrophobicContact CB-CG2 3.79Å; M486-I527 HydrophobicContact CG-CG2 4.17Å; M486-I527 HydrophobicContact SD-CG2 3.68Å; M486-I528 CarbonylContact C-O 3.17Å; M486-I528 VanDerWaalsContact CA-O 3.31Å; M486-I528 WeakPolarHBondContact CA-O 3.47Å; M486-K530 VanDerWaalsContact O-CE 3.26Å; M486-K530 WeakPolarHBondContact O-CE 3.34Å
487	R	96.5	Very high	94.4	Very high	163 Å²	163	62 Å²	62	62%	0.615	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.6	165.1	-62.2	-179.3	-176.1	166.7	3.1	107.7	I528 K530	R487-I528 PolarHBondContact N-O 3.24Å; R487-I528 PolarHBondContact O-N 2.87Å; R487-K530 HydrophobicContact CG-CG 3.83Å
488	T	96.9	Very high	94.4	Very high	46 Å²	46	68.8 Å²	68.8	28%	0.282	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144	-179	59.2	0	0	0	0	110.7	F490 Y497 T526 I527	T488-F490 HydrophobicContact CG2-CE1 4.22Å; T488-F490 HydrophobicContact CG2-CZ 3.96Å; T488-F490 VanDerWaalsContact OG1-CZ 3.27Å; T488-F490 WeakPolarHBondContact OG1-CZ 3.47Å; T488-Y497 HydrophobicContact CG2-CE1 3.86Å; T488-T526 CarbonylContact C-O 3.5Å; T488-T526 VanDerWaalsContact CA-O 3.28Å; T488-T526 WeakPolarHBondContact CA-O 3.36Å; T488-I527 HydrophobicContact CG2-CG1 4.33Å
489	R	97.7	Very high	94.4	Very high	173 Å²	173	69.9 Å²	69.9	65%	0.653	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.6	171.4	178	-177.7	179.8	-176	-1.9	108.1	T526	R489-T526 PolarHBondContact N-O 3.33Å; R489-T526 PolarHBondContact O-N 3.11Å
490	F	97.3	Very high	94.1	Very high	23 Å²	23	71.1 Å²	71.1	10%	0.101	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.5	-177	-49.5	-44.1	0	0	0	111.7	T488 P492 L495 Y497 F509 E524 I525	T488-F490 HydrophobicContact CG2-CE1 4.22Å; T488-F490 HydrophobicContact CG2-CZ 3.96Å; T488-F490 VanDerWaalsContact OG1-CZ 3.27Å; T488-F490 WeakPolarHBondContact OG1-CZ 3.47Å; F490-P492 WeakPolarHBondContact CB-O 3.2Å; F490-L495 HydrophobicContact CB-CB 3.76Å; F490-L495 HydrophobicContact CB-CD2 4.06Å; F490-L495 HydrophobicContact CD1-CD2 3.92Å; F490-L495 HydrophobicContact CD2-CB 3.99Å; F490-L495 HydrophobicContact CD2-CD2 4.47Å; F490-L495 WeakPolarHBondContact CD2-O 3.46Å; F490-L495 HydrophobicContact CG-CB 3.94Å; F490-L495 HydrophobicContact CG-CD2 3.89Å; F490-L495 HydrophobicContact CG-CG 4.37Å; F490-Y497 AromaticContact CE2-CD1 3.88Å; F490-Y497 HydrophobicContact CE2-CD1 3.88Å; F490-Y497 HydrophobicContact CE2-CE1 4.2Å; F490-Y497 AromaticContact CZ-CD1 3.48Å; F490-Y497 HydrophobicContact CZ-CD1 3.48Å; F490-Y497 VanDerWaalsContact CZ-CD1 3.48Å; F490-Y497 AromaticContact CZ-CE1 3.75Å; F490-Y497 HydrophobicContact CZ-CE1 3.75Å; F490-F509 HydrophobicContact CD1-CE1 4.36Å; F490-F509 HydrophobicContact CE1-CD1 4.35Å; F490-F509 AromaticContact CE1-CE1 3.56Å; F490-F509 HydrophobicContact CE1-CE1 3.56Å; F490-F509 HydrophobicContact CE1-CZ 4.49Å; F490-F509 AromaticContact CZ-CE1 3.8Å; F490-F509 HydrophobicContact CZ-CE1 3.8Å; F490-E524 WeakPolarHBondContact CA-O 3.04Å; F490-I525 HydrophobicContact CD1-CG1 4.36Å; F490-I525 HydrophobicContact CD1-CG2 4.29Å; F490-I525 HydrophobicContact CE1-CG2 4.08Å
491	I	95.2	Very high	93.5	Very high	67 Å²	67	78.1 Å²	78.1	34%	0.344	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	163.5	-61.6	171.3	0	0	0	105.9	I523 E524	I491-I523 CarbonylContact O-C 3.49Å; I491-I523 VanDerWaalsContact O-CA 3.25Å; I491-I523 WeakPolarHBondContact O-CA 3.49Å; I491-E524 HydrophobicContact CB-CB 4.02Å; I491-E524 HydrophobicContact CB-CG 4.25Å; I491-E524 HydrophobicContact CD1-CB 4.5Å; I491-E524 WeakPolarHBondContact CD1-OE1 3.03Å; I491-E524 PolarHBondContact N-O 3.02Å; I491-E524 PolarHBondContact O-N 3.09Å
492	P	93.5	Very high	92.7	Very high	20 Å²	20	83.1 Å²	83.1	13%	0.13	40%	0.398	C	S	.	.	S	Bend	cis	-67	155	-8.5	34.8	-39.6	0	0	0	112.1	F490 Q494 L495 I511 I520	F490-P492 WeakPolarHBondContact CB-O 3.2Å; P492-Q494 PolarHBondContact O-N 3.32Å; P492-Q494 VanDerWaalsContact O-N 3.12Å; P492-L495 WeakPolarHBondContact O-CB 3.42Å; P492-L495 PolarHBondContact O-N 3.27Å; P492-L495 VanDerWaalsContact O-N 3.13Å; P492-I511 HydrophobicContact CG-CD1 4.09Å; P492-I520 HydrophobicContact CG-CD1 3.87Å
493	E	93.8	Very high	92.2	Very high	169 Å²	169	83.5 Å²	83.5	79%	0.79	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22	-175.9	-67.1	-174.8	167.6	0	0	113.9	L495	E493-L495 PolarHBondContact O-N 3.21Å
494	Q	92.5	Very high	91.9	Very high	107 Å²	107	83.9 Å²	83.9	50%	0.5	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.5	-179.6	-58.1	86.8	-15.9	0	0	113.3	P492 S496 P512 L515	P492-Q494 PolarHBondContact O-N 3.32Å; P492-Q494 VanDerWaalsContact O-N 3.12Å; Q494-S496 PolarHBondContact O-N 2.96Å; Q494-P512 HydrophobicContact CB-CG 4.27Å; Q494-P512 WeakPolarHBondContact O-CD 3.32Å; Q494-L515 HydrophobicContact CB-CD1 3.31Å; Q494-L515 HydrophobicContact CG-CD1 3.66Å
495	L	94.4	Very high	92	Very high	7 Å²	7	79.7 Å²	79.7	4%	0.037	38%	0.382	C	S	.	.			trans	-58.4	138.3	167.7	-168.1	74.1	0	0	0	109.1	V471 F490 P492 E493 F509 Y510 I511 I523 I525	V471-L495 HydrophobicContact CG2-CD1 3.87Å; F490-L495 HydrophobicContact CB-CB 3.76Å; F490-L495 HydrophobicContact CB-CD2 4.06Å; F490-L495 HydrophobicContact CD1-CD2 3.92Å; F490-L495 HydrophobicContact CD2-CB 3.99Å; F490-L495 HydrophobicContact CD2-CD2 4.47Å; F490-L495 WeakPolarHBondContact CD2-O 3.46Å; F490-L495 HydrophobicContact CG-CB 3.94Å; F490-L495 HydrophobicContact CG-CD2 3.89Å; F490-L495 HydrophobicContact CG-CG 4.37Å; P492-L495 WeakPolarHBondContact O-CB 3.42Å; P492-L495 PolarHBondContact O-N 3.27Å; P492-L495 VanDerWaalsContact O-N 3.13Å; E493-L495 PolarHBondContact O-N 3.21Å; L495-F509 HydrophobicContact CD2-CD1 3.73Å; L495-F509 HydrophobicContact CD2-CE1 4.45Å; L495-F509 HydrophobicContact CG-CD1 4.23Å; L495-Y510 WeakPolarHBondContact CD1-O 3.35Å; L495-I511 HydrophobicContact CD1-CB 3.95Å; L495-I511 HydrophobicContact CD1-CG1 4.48Å; L495-I523 HydrophobicContact CD1-CG2 4.42Å; L495-I523 HydrophobicContact CD2-CG2 4.01Å; L495-I525 HydrophobicContact CD2-CD1 3.89Å; L495-I525 HydrophobicContact CD2-CG1 3.58Å
496	S	95.2	Very high	92.1	Very high	56 Å²	56	79.6 Å²	79.6	39%	0.392	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	161.8	177.5	63.5	0	0	0	0	109.5	Q494 F509 Y510	Q494-S496 PolarHBondContact O-N 2.96Å; S496-F509 CarbonylContact O-C 3.34Å; S496-F509 WeakPolarHBondContact O-CA 2.96Å; S496-Y510 PolarHBondContact N-O 3.2Å; S496-Y510 PolarHBondContact O-N 2.75Å; S496-Y510 PolarHBondContact OG-O 2.84Å
497	Y	96	Very high	92.1	Very high	78 Å²	78	78.7 Å²	78.7	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.2	171.9	70.9	-85.8	0	0	0	111.8	M486 T488 F490 V499 M507 F508 F509	M486-Y497 HydrophobicContact CE-CE2 3.83Å; T488-Y497 HydrophobicContact CG2-CE1 3.86Å; F490-Y497 AromaticContact CE2-CD1 3.88Å; F490-Y497 HydrophobicContact CE2-CD1 3.88Å; F490-Y497 HydrophobicContact CE2-CE1 4.2Å; F490-Y497 AromaticContact CZ-CD1 3.48Å; F490-Y497 HydrophobicContact CZ-CD1 3.48Å; F490-Y497 VanDerWaalsContact CZ-CD1 3.48Å; F490-Y497 AromaticContact CZ-CE1 3.75Å; F490-Y497 HydrophobicContact CZ-CE1 3.75Å; Y497-V499 HydrophobicContact CD2-CG2 4.45Å; Y497-V499 HydrophobicContact CE2-CG2 4.22Å; Y497-M507 HydrophobicContact CD1-CE 4.24Å; Y497-M507 HydrophobicContact CD2-CE 3.36Å; Y497-M507 HydrophobicContact CE1-CE 4.31Å; Y497-M507 HydrophobicContact CE2-CE 3.47Å; Y497-M507 VanDerWaalsContact CE2-CE 3.47Å; Y497-M507 HydrophobicContact CG-CE 3.77Å; Y497-F508 CarbonylContact C-O 3.58Å; Y497-F508 WeakPolarHBondContact CA-O 3.08Å; Y497-F508 WeakPolarHBondContact CB-O 3.16Å; Y497-F509 HydrophobicContact CD1-CE1 4.25Å; Y497-F509 HydrophobicContact CG-CE1 4.22Å; Y497-F509 HydrophobicContact CG-CZ 4.41Å
498	K	94.6	Very high	92.1	Very high	142 Å²	142	72.3 Å²	72.3	62%	0.617	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	141	168.6	-63.4	-178.8	-178.3	177.6	0	108.9	F508 Y510	K498-F508 PolarHBondContact N-O 3.09Å; K498-F508 PolarHBondContact O-N 2.76Å; K498-Y510 HydrophobicContact CB-CE2 4.32Å; K498-Y510 HydrophobicContact CD-CE2 4.3Å; K498-Y510 HydrophobicContact CG-CE2 4.28Å
499	V	91.4	Very high	92.1	Very high	66 Å²	66	70.1 Å²	70.1	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139	169.9	-179.9	0	0	0	0	108.4	Y497 T504	Y497-V499 HydrophobicContact CD2-CG2 4.45Å; Y497-V499 HydrophobicContact CE2-CG2 4.22Å; V499-T504 WeakPolarHBondContact CG1-O 3.3Å
500	Y	83.9	Confident	92	Very high	106 Å²	106	64.6 Å²	64.6	42%	0.416	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.9	-179.1	-167.2	-131	0	0	0	112	N502 N503 L506 F508	Y500-N502 HydrophobicContact CD1-CB 4.15Å; Y500-N502 HydrophobicContact CE1-CB 3.79Å; Y500-N502 PolarHBondContact O-N 3.12Å; Y500-N502 VanDerWaalsContact O-N 3.17Å; Y500-N503 HydrophobicContact CD1-CB 3.91Å; Y500-N503 CarbonylContact O-C 3.45Å; Y500-N503 PolarHBondContact O-N 2.76Å; Y500-N503 VanDerWaalsContact O-N 3.11Å; Y500-N503 VanDerWaalsContact O-O 3.05Å; Y500-L506 PolarHBondContact N-O 3.44Å; Y500-F508 AromaticContact CD2-CE2 3.87Å; Y500-F508 HydrophobicContact CD2-CE2 3.87Å; Y500-F508 HydrophobicContact CD2-CZ 4.2Å; Y500-F508 AromaticContact CG-CE2 3.75Å; Y500-F508 HydrophobicContact CG-CE2 3.75Å; Y500-F508 HydrophobicContact CG-CZ 4.33Å
501	E	78.8	Confident	91.7	Very high	185 Å²	185	63.5 Å²	63.5	86%	0.864	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-34	-174.5	-64.9	-179.5	176.4	0	0	113
502	N	78.2	Confident	91.5	Very high	117 Å²	117	61.9 Å²	61.9	63%	0.626	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.3	-178.3	-66.4	-36	0	0	0	114.2	Y500	Y500-N502 HydrophobicContact CD1-CB 4.15Å; Y500-N502 HydrophobicContact CE1-CB 3.79Å; Y500-N502 PolarHBondContact O-N 3.12Å; Y500-N502 VanDerWaalsContact O-N 3.17Å
503	N	83.9	Confident	91.2	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.053	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	98.9	175.1	-174.3	-1.2	0	0	0	109.6	Y500 N505 L506	Y500-N503 HydrophobicContact CD1-CB 3.91Å; Y500-N503 CarbonylContact O-C 3.45Å; Y500-N503 PolarHBondContact O-N 2.76Å; Y500-N503 VanDerWaalsContact O-N 3.11Å; Y500-N503 VanDerWaalsContact O-O 3.05Å; N503-N505 PolarHBondContact O-N 3.38Å; N503-N505 WeakPolarHBondContact OD1-CB 3.29Å; N503-N505 PolarHBondContact OD1-N 3.25Å; N503-L506 HydrophobicContact CB-CB 4.29Å; N503-L506 PolarHBondContact O-N 2.96Å
504	T	87.1	Confident	90.7	Very high	90 Å²	90	57.2 Å²	57.2	55%	0.552	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	-13.1	-179.8	53.5	0	0	0	0	113.6	M478 V499	M478-T504 WeakPolarHBondContact CG-O 3.25Å; V499-T504 WeakPolarHBondContact CG1-O 3.3Å
505	N	94.8	Very high	90.1	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	1.3	176.8	-56.2	-37.6	0	0	0	113	D93 F475 A476 M478 N503	D93-N505 PolarHBondContact O-ND2 2.64Å; F475-N505 CarbonylContact C-O 3.51Å; F475-N505 VanDerWaalsContact CA-O 3.3Å; F475-N505 WeakPolarHBondContact CA-O 3.46Å; F475-N505 HydrophobicContact CD2-CB 3.88Å; F475-N505 WeakPolarHBondContact CD2-O 3.42Å; F475-N505 HydrophobicContact CE2-CB 3.45Å; F475-N505 VanDerWaalsContact CE2-CB 3.45Å; F475-N505 HydrophobicContact CZ-CB 4.28Å; A476-N505 PolarHBondContact N-O 3.13Å; A476-N505 WeakPolarHBondContact O-CA 3.11Å; A476-N505 VanDerWaalsContact O-CB 3.32Å; A476-N505 WeakPolarHBondContact O-CB 3.5Å; M478-N505 WeakPolarHBondContact CB-OD1 3.41Å; M478-N505 PolarHBondContact N-OD1 3.36Å; N503-N505 PolarHBondContact O-N 3.38Å; N503-N505 WeakPolarHBondContact OD1-CB 3.29Å; N503-N505 PolarHBondContact OD1-N 3.25Å
506	L	96.2	Very high	89.2	Confident	17 Å²	17	53.5 Å²	53.5	9%	0.089	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124	179.4	-168.2	64.2	0	0	0	110.8	E473 Y500 N503 F508	E473-L506 HydrophobicContact CB-CD1 4.38Å; Y500-L506 PolarHBondContact N-O 3.44Å; N503-L506 HydrophobicContact CB-CB 4.29Å; N503-L506 PolarHBondContact O-N 2.96Å; L506-F508 HydrophobicContact CB-CE2 4.31Å; L506-F508 HydrophobicContact CD2-CE2 3.53Å; L506-F508 HydrophobicContact CD2-CZ 3.68Å; L506-F508 HydrophobicContact CG-CD2 4.35Å; L506-F508 HydrophobicContact CG-CE2 3.62Å; L506-F508 HydrophobicContact CG-CZ 4.22Å
507	M	96.7	Very high	87.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.6	-177.9	-60.3	175.1	68.3	0	0	110.4	E473 I474 A476 M486 Y497 F509 I527	E473-M507 CarbonylContact C-O 3.6Å; E473-M507 WeakPolarHBondContact CA-O 3.47Å; I474-M507 PolarHBondContact N-O 2.86Å; I474-M507 PolarHBondContact O-N 3.49Å; A476-M507 HydrophobicContact CB-CG 4.49Å; A476-M507 HydrophobicContact CB-SD 3.83Å; M486-M507 HydrophobicContact CE-CE 3.18Å; M486-M507 HydrophobicContact CE-CG 4.46Å; M486-M507 HydrophobicContact CE-SD 3.5Å; M486-M507 VanDerWaalsContact CE-SD 3.5Å; M486-M507 HydrophobicContact SD-CE 4.03Å; M486-M507 HydrophobicContact SD-SD 3.86Å; Y497-M507 HydrophobicContact CD1-CE 4.24Å; Y497-M507 HydrophobicContact CD2-CE 3.36Å; Y497-M507 HydrophobicContact CE1-CE 4.31Å; Y497-M507 HydrophobicContact CE2-CE 3.47Å; Y497-M507 VanDerWaalsContact CE2-CE 3.47Å; Y497-M507 HydrophobicContact CG-CE 3.77Å; M507-F509 HydrophobicContact CB-CD2 4.23Å; M507-F509 HydrophobicContact CB-CE2 3.53Å; M507-F509 HydrophobicContact CB-CZ 4.28Å; M507-F509 HydrophobicContact CE-CE1 4.43Å; M507-F509 HydrophobicContact CE-CE2 3.96Å; M507-F509 HydrophobicContact CE-CZ 3.52Å; M507-F509 HydrophobicContact SD-CE2 4.37Å; M507-F509 HydrophobicContact SD-CZ 4.34Å; M507-I527 HydrophobicContact CE-CD1 4.18Å; M507-I527 HydrophobicContact SD-CD1 3.82Å
508	F	96.9	Very high	86.7	Confident	28 Å²	28	56 Å²	56	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.9	179.4	-71.8	-106.1	0	0	0	109	L470 E473 Y497 K498 Y500 L506 Y510	L470-F508 HydrophobicContact CD1-CB 3.87Å; L470-F508 HydrophobicContact CD1-CD1 3.74Å; L470-F508 HydrophobicContact CD1-CG 4.29Å; L470-F508 HydrophobicContact CD2-CD1 4.13Å; E473-F508 HydrophobicContact CG-CD1 3.94Å; E473-F508 HydrophobicContact CG-CE1 3.83Å; E473-F508 HydrophobicContact CG-CZ 4.39Å; E473-F508 VanDerWaalsContact OE1-CE1 3.31Å; E473-F508 WeakPolarHBondContact OE1-CE1 3.25Å; Y497-F508 CarbonylContact C-O 3.58Å; Y497-F508 WeakPolarHBondContact CA-O 3.08Å; Y497-F508 WeakPolarHBondContact CB-O 3.16Å; K498-F508 PolarHBondContact N-O 3.09Å; K498-F508 PolarHBondContact O-N 2.76Å; Y500-F508 AromaticContact CD2-CE2 3.87Å; Y500-F508 HydrophobicContact CD2-CE2 3.87Å; Y500-F508 HydrophobicContact CD2-CZ 4.2Å; Y500-F508 AromaticContact CG-CE2 3.75Å; Y500-F508 HydrophobicContact CG-CE2 3.75Å; Y500-F508 HydrophobicContact CG-CZ 4.33Å; L506-F508 HydrophobicContact CB-CE2 4.31Å; L506-F508 HydrophobicContact CD2-CE2 3.53Å; L506-F508 HydrophobicContact CD2-CZ 3.68Å; L506-F508 HydrophobicContact CG-CD2 4.35Å; L506-F508 HydrophobicContact CG-CE2 3.62Å; L506-F508 HydrophobicContact CG-CZ 4.22Å; F508-Y510 HydrophobicContact CB-CD2 4.5Å; F508-Y510 HydrophobicContact CB-CE2 3.54Å; F508-Y510 VanDerWaalsContact O-CD2 3.27Å; F508-Y510 WeakPolarHBondContact O-CD2 3.39Å; F508-Y510 VanDerWaalsContact O-CE2 3.25Å; F508-Y510 WeakPolarHBondContact O-CE2 3.3Å
509	F	96.6	Very high	85.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.3	-176.2	-73	-98.1	0	0	0	111.2	L470 V471 A472 I474 F490 L495 S496 Y497 M507 I525 I527	L470-F509 WeakPolarHBondContact CA-O 3.35Å; L470-F509 WeakPolarHBondContact CD1-O 3.36Å; V471-F509 HydrophobicContact CG2-CB 4.25Å; V471-F509 WeakPolarHBondContact CG2-O 3.34Å; V471-F509 PolarHBondContact N-O 3.44Å; A472-F509 HydrophobicContact CB-CB 4.23Å; A472-F509 PolarHBondContact O-N 2.75Å; I474-F509 HydrophobicContact CB-CD2 4.39Å; I474-F509 HydrophobicContact CB-CE2 3.87Å; I474-F509 HydrophobicContact CD1-CD2 3.84Å; I474-F509 HydrophobicContact CD1-CE2 3.55Å; I474-F509 HydrophobicContact CD1-CZ 4.05Å; I474-F509 HydrophobicContact CG1-CD2 4.32Å; I474-F509 HydrophobicContact CG1-CE2 4.1Å; F490-F509 HydrophobicContact CD1-CE1 4.36Å; F490-F509 HydrophobicContact CE1-CD1 4.35Å; F490-F509 AromaticContact CE1-CE1 3.56Å; F490-F509 HydrophobicContact CE1-CE1 3.56Å; F490-F509 HydrophobicContact CE1-CZ 4.49Å; F490-F509 AromaticContact CZ-CE1 3.8Å; F490-F509 HydrophobicContact CZ-CE1 3.8Å; L495-F509 HydrophobicContact CD2-CD1 3.73Å; L495-F509 HydrophobicContact CD2-CE1 4.45Å; L495-F509 HydrophobicContact CG-CD1 4.23Å; S496-F509 CarbonylContact O-C 3.34Å; S496-F509 WeakPolarHBondContact O-CA 2.96Å; Y497-F509 HydrophobicContact CD1-CE1 4.25Å; Y497-F509 HydrophobicContact CG-CE1 4.22Å; Y497-F509 HydrophobicContact CG-CZ 4.41Å; M507-F509 HydrophobicContact CB-CD2 4.23Å; M507-F509 HydrophobicContact CB-CE2 3.53Å; M507-F509 HydrophobicContact CB-CZ 4.28Å; M507-F509 HydrophobicContact CE-CE1 4.43Å; M507-F509 HydrophobicContact CE-CE2 3.96Å; M507-F509 HydrophobicContact CE-CZ 3.52Å; M507-F509 HydrophobicContact SD-CE2 4.37Å; M507-F509 HydrophobicContact SD-CZ 4.34Å; F509-I525 HydrophobicContact CB-CD1 4.33Å; F509-I525 HydrophobicContact CD1-CD1 3.66Å; F509-I525 HydrophobicContact CD1-CG1 4.22Å; F509-I525 HydrophobicContact CD1-CG2 4.47Å; F509-I525 HydrophobicContact CD2-CD1 4.29Å; F509-I525 HydrophobicContact CE1-CD1 3.95Å; F509-I525 HydrophobicContact CE1-CG1 4.23Å; F509-I525 HydrophobicContact CE1-CG2 3.69Å; F509-I525 HydrophobicContact CG-CD1 3.82Å; F509-I525 HydrophobicContact CZ-CD1 4.39Å; F509-I525 HydrophobicContact CZ-CG2 3.77Å; F509-I527 HydrophobicContact CZ-CD1 4.35Å
510	Y	94.7	Very high	85	Confident	57 Å²	57	52.9 Å²	52.9	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.7	-175.9	-59.2	-94.6	0	0	0	111.1	L469 L470 L495 S496 K498 F508	L469-Y510 CarbonylContact O-C 3.56Å; L469-Y510 WeakPolarHBondContact O-CA 3.46Å; L470-Y510 HydrophobicContact CB-CD1 4.14Å; L470-Y510 HydrophobicContact CB-CE1 3.9Å; L470-Y510 HydrophobicContact CD1-CE1 4.1Å; L470-Y510 HydrophobicContact CD1-CE2 4.43Å; L495-Y510 WeakPolarHBondContact CD1-O 3.35Å; S496-Y510 PolarHBondContact N-O 3.2Å; S496-Y510 PolarHBondContact O-N 2.75Å; S496-Y510 PolarHBondContact OG-O 2.84Å; K498-Y510 HydrophobicContact CB-CE2 4.32Å; K498-Y510 HydrophobicContact CD-CE2 4.3Å; K498-Y510 HydrophobicContact CG-CE2 4.28Å; F508-Y510 HydrophobicContact CB-CD2 4.5Å; F508-Y510 HydrophobicContact CB-CE2 3.54Å; F508-Y510 VanDerWaalsContact O-CD2 3.27Å; F508-Y510 WeakPolarHBondContact O-CD2 3.39Å; F508-Y510 VanDerWaalsContact O-CE2 3.25Å; F508-Y510 WeakPolarHBondContact O-CE2 3.3Å
511	I	92.4	Very high	85.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.4	173.8	-166.9	167	0	0	0	110.7	A468 L469 V471 P492 L495 L515 I516 I520 I523	A468-I511 CarbonylContact C-O 3.53Å; A468-I511 VanDerWaalsContact CA-O 3.24Å; A468-I511 WeakPolarHBondContact CA-O 3.42Å; L469-I511 HydrophobicContact CB-CG2 4.46Å; L469-I511 PolarHBondContact N-O 3.25Å; L469-I511 PolarHBondContact O-N 3.04Å; V471-I511 HydrophobicContact CG1-CB 4.27Å; V471-I511 HydrophobicContact CG1-CG2 3.44Å; V471-I511 VanDerWaalsContact CG1-CG2 3.44Å; V471-I511 HydrophobicContact CG2-CB 4.45Å; V471-I511 HydrophobicContact CG2-CG2 4.46Å; P492-I511 HydrophobicContact CG-CD1 4.09Å; L495-I511 HydrophobicContact CD1-CB 3.95Å; L495-I511 HydrophobicContact CD1-CG1 4.48Å; I511-L515 HydrophobicContact CG1-CB 4.43Å; I511-I516 HydrophobicContact CD1-CG1 4.29Å; I511-I516 HydrophobicContact CG1-CG1 4.43Å; I511-I516 HydrophobicContact CG2-CD1 3.13Å; I511-I516 HydrophobicContact CG2-CG1 3.45Å; I511-I516 VanDerWaalsContact CG2-CG1 3.45Å; I511-I520 HydrophobicContact CD1-CD1 3.38Å; I511-I520 HydrophobicContact CG1-CD1 4.43Å; I511-I523 HydrophobicContact CD1-CD1 3.82Å; I511-I523 HydrophobicContact CD1-CG1 4.31Å
512	P	90.8	Very high	85.9	Confident	33 Å²	33	49.6 Å²	49.6	21%	0.214	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	138.1	175.4	-27	37.2	0	0	0	112.6	Q494 N514 L515 I516	Q494-P512 HydrophobicContact CB-CG 4.27Å; Q494-P512 WeakPolarHBondContact O-CD 3.32Å; P512-N514 VanDerWaalsContact C-N 3.33Å; P512-N514 WeakPolarHBondContact CB-OD1 3.41Å; P512-N514 PolarHBondContact O-N 3.23Å; P512-L515 HydrophobicContact CB-CD1 4.23Å; P512-L515 HydrophobicContact CG-CD1 4.14Å; P512-L515 WeakPolarHBondContact O-CB 3.34Å; P512-L515 PolarHBondContact O-N 3.13Å; P512-L515 VanDerWaalsContact O-N 3.09Å; P512-I516 PolarHBondContact O-N 3.06Å
513	C	86.8	Confident	86.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-35	-176.2	-78.3	0	0	0	0	114.7	C462 N464 S467 L515 I516 I517	C462-C513 HydrophobicContact CB-CB 3.45Å; C462-C513 VanDerWaalsContact CB-CB 3.45Å; C462-C513 WeakPolarHBondContact CB-SG 3.47Å; C462-C513 WeakPolarHBondContact SG-CB 3.46Å; C462-C513 CovalentContact SG-SG 2Å; C462-C513 PolarHBondContact SG-SG 3.28Å; N464-C513 WeakPolarHBondContact O-CB 3.35Å; N464-C513 PolarHBondContact O-SG 2.98Å; S467-C513 WeakPolarHBondContact O-CB 3.44Å; S467-C513 PolarHBondContact O-N 2.96Å; S467-C513 PolarHBondContact O-SG 2.83Å; S467-C513 PolarHBondContact OG-SG 2.73Å; C513-L515 PolarHBondContact O-N 3.26Å; C513-I516 PolarHBondContact O-N 3.41Å; C513-I517 WeakPolarHBondContact O-CG1 3.12Å; C513-I517 PolarHBondContact O-N 3.24Å
514	N	83.1	Confident	87.4	Confident	91 Å²	91	45.6 Å²	45.6	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-27.7	175.4	63.7	-23.9	0	0	0	112.9	V465 P512	V465-N514 HydrophobicContact CG1-CB 4.08Å; P512-N514 VanDerWaalsContact C-N 3.33Å; P512-N514 WeakPolarHBondContact CB-OD1 3.41Å; P512-N514 PolarHBondContact O-N 3.23Å
515	L	80.7	Confident	88	Confident	30 Å²	30	41.3 Å²	41.3	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-83.8	-39.3	178.7	-86.6	164.7	0	0	0	112.7	Q494 I511 P512 C513 I517 T518 I520	Q494-L515 HydrophobicContact CB-CD1 3.31Å; Q494-L515 HydrophobicContact CG-CD1 3.66Å; I511-L515 HydrophobicContact CG1-CB 4.43Å; P512-L515 HydrophobicContact CB-CD1 4.23Å; P512-L515 HydrophobicContact CG-CD1 4.14Å; P512-L515 WeakPolarHBondContact O-CB 3.34Å; P512-L515 PolarHBondContact O-N 3.13Å; P512-L515 VanDerWaalsContact O-N 3.09Å; C513-L515 PolarHBondContact O-N 3.26Å; L515-I517 PolarHBondContact O-N 3.01Å; L515-T518 PolarHBondContact O-N 2.58Å; L515-T518 PolarHBondContact O-OG1 2.84Å; L515-I520 HydrophobicContact CB-CD1 3.83Å; L515-I520 HydrophobicContact CD2-CD1 4.42Å; L515-I520 WeakPolarHBondContact O-CD1 3.28Å
516	I	74.4	Confident	88.1	Confident	7 Å²	7	42 Å²	42	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-55.4	-39.6	174.8	-84	175	0	0	0	111.6	Q459 K460 L469 I511 P512 C513 T518 N519	Q459-I516 VanDerWaalsContact O-CG2 3.27Å; Q459-I516 WeakPolarHBondContact O-CG2 3.33Å; K460-I516 WeakPolarHBondContact O-CG2 3.35Å; L469-I516 HydrophobicContact CB-CD1 3.84Å; L469-I516 HydrophobicContact CD1-CD1 3.36Å; L469-I516 HydrophobicContact CG-CD1 4.09Å; I511-I516 HydrophobicContact CD1-CG1 4.29Å; I511-I516 HydrophobicContact CG1-CG1 4.43Å; I511-I516 HydrophobicContact CG2-CD1 3.13Å; I511-I516 HydrophobicContact CG2-CG1 3.45Å; I511-I516 VanDerWaalsContact CG2-CG1 3.45Å; P512-I516 PolarHBondContact O-N 3.06Å; C513-I516 PolarHBondContact O-N 3.41Å; I516-T518 PolarHBondContact O-N 3.37Å; I516-N519 PolarHBondContact O-N 2.84Å
517	I	68.1	Low	88.2	Confident	93 Å²	93	41.2 Å²	41.2	48%	0.477	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.3	-179	-62	164.6	0	0	0	111.7	C513 L515 N519	C513-I517 WeakPolarHBondContact O-CG1 3.12Å; C513-I517 PolarHBondContact O-N 3.24Å; L515-I517 PolarHBondContact O-N 3.01Å; I517-N519 VanDerWaalsContact C-N 3.26Å; I517-N519 PolarHBondContact O-N 2.96Å
518	T	71.2	Confident	88.3	Confident	94 Å²	94	44.5 Å²	44.5	58%	0.577	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	16	-178.4	60.6	0	0	0	0	115	L515 I516	L515-T518 PolarHBondContact O-N 2.58Å; L515-T518 PolarHBondContact O-OG1 2.84Å; I516-T518 PolarHBondContact O-N 3.37Å
519	N	72.6	Confident	88.3	Confident	111 Å²	111	44.5 Å²	44.5	59%	0.594	23%	0.233	S	C	*	.			trans	56.3	57.5	-177.9	-76.9	-26	0	0	0	112.9	I516 I517 E521	I516-N519 PolarHBondContact O-N 2.84Å; I517-N519 VanDerWaalsContact C-N 3.26Å; I517-N519 PolarHBondContact O-N 2.96Å; N519-E521 PolarHBondContact O-N 3.02Å
520	I	78.1	Confident	88.3	Confident	30 Å²	30	49.1 Å²	49.1	15%	0.154	25%	0.253	C	S	.	.			trans	-60.3	122.4	168.1	-68.7	172	0	0	0	109.2	P457 P492 I511 L515 L522 I523	P457-I520 HydrophobicContact CG-CB 4.44Å; P457-I520 HydrophobicContact CG-CG2 4.21Å; P492-I520 HydrophobicContact CG-CD1 3.87Å; I511-I520 HydrophobicContact CD1-CD1 3.38Å; I511-I520 HydrophobicContact CG1-CD1 4.43Å; L515-I520 HydrophobicContact CB-CD1 3.83Å; L515-I520 HydrophobicContact CD2-CD1 4.42Å; L515-I520 WeakPolarHBondContact O-CD1 3.28Å; I520-L522 VanDerWaalsContact CG2-O 3.29Å; I520-L522 WeakPolarHBondContact CG2-O 3.34Å; I520-I523 HydrophobicContact CG2-CG1 4.06Å
521	E	86.4	Confident	87.9	Confident	164 Å²	164	54.9 Å²	54.9	77%	0.766	28%	0.282	S	S	*	.			trans	-87.1	-25.5	-179.7	-62.4	-172.9	161.9	0	0	112.5	I456 N519	I456-E521 WeakPolarHBondContact CG1-O 3.29Å; N519-E521 PolarHBondContact O-N 3.02Å
522	L	94.1	Very high	87	Confident	58 Å²	58	63.8 Å²	63.8	30%	0.304	33%	0.329	S	S	.	.			trans	-151	135.7	-176.1	-165.1	67.8	0	0	0	111.3	V440 A454 I456 I520 E524	V440-L522 HydrophobicContact CB-CD1 4.42Å; V440-L522 HydrophobicContact CG2-CD1 4.06Å; A454-L522 HydrophobicContact CB-CD1 4.2Å; I456-L522 HydrophobicContact CG1-CD1 4.37Å; I520-L522 VanDerWaalsContact CG2-O 3.29Å; I520-L522 WeakPolarHBondContact CG2-O 3.34Å; L522-E524 HydrophobicContact CD2-CG 3.8Å; L522-E524 HydrophobicContact CG-CG 4.01Å
523	I	95.9	Very high	86.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.2	165.5	-64.2	173.6	0	0	0	107.7	A454 F455 P457 V471 I491 L495 I511 I520 I525	A454-I523 CarbonylContact C-O 3.33Å; A454-I523 WeakPolarHBondContact CA-O 3.4Å; F455-I523 HydrophobicContact CD1-CB 4.28Å; F455-I523 HydrophobicContact CD1-CG2 4.39Å; F455-I523 HydrophobicContact CE1-CB 3.86Å; F455-I523 HydrophobicContact CE1-CG2 3.61Å; F455-I523 HydrophobicContact CE2-CB 4.18Å; F455-I523 HydrophobicContact CE2-CD1 3.78Å; F455-I523 HydrophobicContact CE2-CG1 4.48Å; F455-I523 HydrophobicContact CZ-CB 3.81Å; F455-I523 HydrophobicContact CZ-CD1 3.77Å; F455-I523 HydrophobicContact CZ-CG1 4.38Å; F455-I523 HydrophobicContact CZ-CG2 3.71Å; F455-I523 PolarHBondContact N-O 2.88Å; F455-I523 PolarHBondContact O-N 3.16Å; P457-I523 HydrophobicContact CB-CD1 4Å; P457-I523 HydrophobicContact CG-CD1 3.99Å; P457-I523 HydrophobicContact CG-CG1 4.27Å; V471-I523 HydrophobicContact CB-CD1 4.41Å; V471-I523 HydrophobicContact CG1-CD1 4.39Å; V471-I523 HydrophobicContact CG2-CD1 4.29Å; I491-I523 CarbonylContact O-C 3.49Å; I491-I523 VanDerWaalsContact O-CA 3.25Å; I491-I523 WeakPolarHBondContact O-CA 3.49Å; L495-I523 HydrophobicContact CD1-CG2 4.42Å; L495-I523 HydrophobicContact CD2-CG2 4.01Å; I511-I523 HydrophobicContact CD1-CD1 3.82Å; I511-I523 HydrophobicContact CD1-CG1 4.31Å; I520-I523 HydrophobicContact CG2-CG1 4.06Å; I523-I525 HydrophobicContact CG2-CG1 4.28Å
524	E	98.2	Very high	86.8	Confident	43 Å²	43	68.7 Å²	68.7	20%	0.201	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.4	175.3	-52	178.1	-125.4	0	0	110.2	Y452 Y453 A454 F490 I491 L522	Y452-E524 HydrophobicContact CE2-CB 4.18Å; Y452-E524 WeakPolarHBondContact CE2-OE2 3.11Å; Y452-E524 VanDerWaalsContact OH-CD 3.3Å; Y452-E524 PolarHBondContact OH-OE2 2.89Å; Y453-E524 CarbonylContact O-C 3.52Å; Y453-E524 WeakPolarHBondContact O-CA 3.37Å; A454-E524 HydrophobicContact CB-CG 4.13Å; F490-E524 WeakPolarHBondContact CA-O 3.04Å; I491-E524 HydrophobicContact CB-CB 4.02Å; I491-E524 HydrophobicContact CB-CG 4.25Å; I491-E524 HydrophobicContact CD1-CB 4.5Å; I491-E524 WeakPolarHBondContact CD1-OE1 3.03Å; I491-E524 PolarHBondContact N-O 3.02Å; I491-E524 PolarHBondContact O-N 3.09Å; L522-E524 HydrophobicContact CD2-CG 3.8Å; L522-E524 HydrophobicContact CG-CG 4.01Å
525	I	98.6	Very high	87.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.9	179.5	-62.8	170.4	0	0	0	107.7	F451 Y452 Y453 F455 A472 I474 F490 L495 F509 I523 I527	F451-I525 HydrophobicContact CE1-CG2 4.23Å; Y452-I525 WeakPolarHBondContact CA-O 3.33Å; Y453-I525 PolarHBondContact N-O 3.49Å; Y453-I525 PolarHBondContact O-N 2.79Å; F455-I525 HydrophobicContact CE1-CD1 4.1Å; A472-I525 HydrophobicContact CB-CD1 4.45Å; I474-I525 HydrophobicContact CD1-CB 4.42Å; I474-I525 HydrophobicContact CD1-CD1 3.62Å; I474-I525 HydrophobicContact CD1-CG2 3.98Å; F490-I525 HydrophobicContact CD1-CG1 4.36Å; F490-I525 HydrophobicContact CD1-CG2 4.29Å; F490-I525 HydrophobicContact CE1-CG2 4.08Å; L495-I525 HydrophobicContact CD2-CD1 3.89Å; L495-I525 HydrophobicContact CD2-CG1 3.58Å; F509-I525 HydrophobicContact CB-CD1 4.33Å; F509-I525 HydrophobicContact CD1-CD1 3.66Å; F509-I525 HydrophobicContact CD1-CG1 4.22Å; F509-I525 HydrophobicContact CD1-CG2 4.47Å; F509-I525 HydrophobicContact CD2-CD1 4.29Å; F509-I525 HydrophobicContact CE1-CD1 3.95Å; F509-I525 HydrophobicContact CE1-CG1 4.23Å; F509-I525 HydrophobicContact CE1-CG2 3.69Å; F509-I525 HydrophobicContact CG-CD1 3.82Å; F509-I525 HydrophobicContact CZ-CD1 4.39Å; F509-I525 HydrophobicContact CZ-CG2 3.77Å; I523-I525 HydrophobicContact CG2-CG1 4.28Å; I525-I527 HydrophobicContact CG2-CD1 4.43Å; I525-I527 HydrophobicContact CG2-CG1 4.17Å
526	T	98.7	Very high	87.4	Confident	26 Å²	26	69.7 Å²	69.7	16%	0.16	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.9	171.3	-44.5	0	0	0	0	109.7	F451 T488 R489 I528	F451-T526 VanDerWaalsContact O-CA 3.3Å; F451-T526 WeakPolarHBondContact O-CA 3.13Å; F451-T526 WeakPolarHBondContact O-CG2 3Å; T488-T526 CarbonylContact C-O 3.5Å; T488-T526 VanDerWaalsContact CA-O 3.28Å; T488-T526 WeakPolarHBondContact CA-O 3.36Å; R489-T526 PolarHBondContact N-O 3.33Å; R489-T526 PolarHBondContact O-N 3.11Å; T526-I528 HydrophobicContact CG2-CD1 4.16Å; T526-I528 HydrophobicContact CG2-CG1 3.98Å
527	I	98.4	Very high	88.2	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.5	174.9	-54.6	172.4	0	0	0	108	T430 F451 I474 Y482 M486 T488 M507 F509 I525	T430-I527 HydrophobicContact CG2-CD1 4.16Å; F451-I527 HydrophobicContact CB-CB 4.19Å; F451-I527 HydrophobicContact CD1-CB 4.15Å; F451-I527 HydrophobicContact CD1-CD1 3.81Å; F451-I527 HydrophobicContact CD1-CG1 3.91Å; F451-I527 HydrophobicContact CE1-CD1 4.2Å; F451-I527 PolarHBondContact N-O 2.82Å; F451-I527 PolarHBondContact O-N 2.66Å; I474-I527 HydrophobicContact CG2-CD1 4.25Å; Y482-I527 HydrophobicContact CD1-CG2 4.34Å; Y482-I527 HydrophobicContact CE1-CG2 3.72Å; M486-I527 HydrophobicContact CB-CG2 3.79Å; M486-I527 HydrophobicContact CG-CG2 4.17Å; M486-I527 HydrophobicContact SD-CG2 3.68Å; T488-I527 HydrophobicContact CG2-CG1 4.33Å; M507-I527 HydrophobicContact CE-CD1 4.18Å; M507-I527 HydrophobicContact SD-CD1 3.82Å; F509-I527 HydrophobicContact CZ-CD1 4.35Å; I525-I527 HydrophobicContact CG2-CD1 4.43Å; I525-I527 HydrophobicContact CG2-CG1 4.17Å
528	I	98	Very high	89.6	Confident	70 Å²	70	72.3 Å²	72.3	36%	0.359	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.2	-174.5	-57.7	168	0	0	0	108.3	V450 M486 R487 T526	V450-I528 HydrophobicContact CG1-CG1 4.47Å; V450-I528 HydrophobicContact CG2-CG2 4.35Å; M486-I528 CarbonylContact C-O 3.17Å; M486-I528 VanDerWaalsContact CA-O 3.31Å; M486-I528 WeakPolarHBondContact CA-O 3.47Å; R487-I528 PolarHBondContact N-O 3.24Å; R487-I528 PolarHBondContact O-N 2.87Å; T526-I528 HydrophobicContact CG2-CD1 4.16Å; T526-I528 HydrophobicContact CG2-CG1 3.98Å
529	P	97.3	Very high	90.9	Very high	28 Å²	28	70.8 Å²	70.8	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	140.4	173.9	-23.8	35.3	0	0	0	112.6	S448 G449 H481 Y482	S448-P529 VanDerWaalsContact O-CG 3.28Å; S448-P529 WeakPolarHBondContact O-CG 3.22Å; G449-P529 WeakPolarHBondContact O-CD 3.42Å; H481-P529 WeakPolarHBondContact O-CG 3.38Å; Y482-P529 HydrophobicContact CD1-CB 4.04Å; Y482-P529 HydrophobicContact CD1-CG 3.71Å; Y482-P529 HydrophobicContact CE1-CB 4.44Å; Y482-P529 HydrophobicContact CE1-CG 3.64Å
530	K	95.8	Very high	92.3	Very high	96 Å²	96	67.7 Å²	67.7	42%	0.417	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-72.8	129.8	167.8	-75.7	177.9	177.3	175.3	0	108.7	H484 G485 M486 R487	H484-K530 HydrophobicContact CB-CB 4.45Å; H484-K530 WeakPolarHBondContact O-CD 3.3Å; G485-K530 PolarHBondContact O-N 3.32Å; M486-K530 VanDerWaalsContact O-CE 3.26Å; M486-K530 WeakPolarHBondContact O-CE 3.34Å; R487-K530 HydrophobicContact CG-CG 3.83Å
531	Q	85.8	Confident	93.5	Very high	178 Å²	178	70.8 Å²	70.8	83%	0.832	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-72.7	149.6	168.3	-65.4	-177	-14.2	0	0	109.8
532	N	74.6	Confident	94.1	Very high	187 Å²	187	62.4 Å²	62.4	100%	1	31%	0.314	S	S	*	.			trans	-62	0	171.1	-86.4	-34.1	0	0	0	112.9	H484	H484-N532 PolarHBondContact CD2-OD1 3.25Å; H484-N532 PolarHBondContact CE1-ND2 2.84Å; H484-N532 PolarHBondContact CE1-OD1 2.73Å; H484-N532 PolarHBondContact ND1-OD1 2.73Å; H484-N532 PolarHBondContact NE2-ND2 2.85Å; H484-N532 PolarHBondContact NE2-OD1 3.05Å; H484-N532 VanDerWaalsContact NE2-OD1 3.13Å

Retrieved 532 of 532 residues in 1071.2 ms (Link to these results)

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