A0A5K4F7J5_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7J5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	34.3	Very low	250 Å²	250	170.7 Å²	170.7	100%	1.232	83%	0.829	S	S	*	*				0	117.3	0	-148.5	165	174.5	0	0	107
2	R	37.2	Very low	34.3	Very low	234 Å²	234	177.3 Å²	177.3	88%	0.883	84%	0.838	S	S	*	*			trans	-66.7	153.4	178.5	-83.3	175.9	172.7	177.4	-2.8	111
3	L	36.4	Very low	34.4	Very low	161 Å²	161	179.7 Å²	179.7	84%	0.843	84%	0.844	S	S	*	*			trans	168	91.2	132.7	-86.7	157.7	0	0	0	107.4
4	T	31.6	Very low	34.3	Very low	108 Å²	108	172 Å²	172	66%	0.663	84%	0.837	S	S	*	*				44.9	127	87.3	61.1	0	0	0	0	117.5
5	R	35.7	Very low	34.4	Very low	245 Å²	245	171.5 Å²	171.5	93%	0.925	84%	0.84	S	S	*	*			trans	127	140	147	-78.4	179.8	172.1	-176.5	-2.2	111.1
6	S	34.5	Very low	34.7	Very low	96 Å²	96	166.6 Å²	166.6	67%	0.671	83%	0.827	S	S	*	*			cis	-177.7	154.6	-5.6	171.4	0	0	0	0	107.2
7	S	32.6	Very low	35	Very low	93 Å²	93	168.4 Å²	168.4	65%	0.65	83%	0.829	S	S	*	*			trans	48.9	112.9	148.8	55.9	0	0	0	0	119.6
8	K	31.9	Very low	35.7	Very low	202 Å²	202	166.9 Å²	166.9	88%	0.878	83%	0.825	S	S	*	*				51.5	108.2	87.7	-81.4	-171.2	176.2	-177.3	0	113.8
9	Q	34.7	Very low	36.6	Very low	186 Å²	186	163.5 Å²	163.5	87%	0.869	82%	0.815	S	S	*	*				-170.3	115.6	126.2	-79.3	-150.9	-33.9	0	0	106.7
10	L	30	Very low	37.4	Very low	150 Å²	150	159.7 Å²	159.7	79%	0.785	80%	0.803	S	S	*	*				65	128.2	79	-96.3	153.8	0	0	0	114.7
11	E	29.9	Very low	38.5	Very low	153 Å²	153	156.5 Å²	156.5	72%	0.715	79%	0.791	S	S	*	*			trans	99.1	102.7	151	-68	174.8	-174.3	0	0	120.6	F13	E11-F13 PolarHBondContact O-N 3.5Å
12	R	33.7	Very low	39.4	Very low	249 Å²	249	149.7 Å²	149.7	94%	0.94	76%	0.759	S	S	*	*			trans	1.8	109.9	131.8	-70	-179.7	175.6	-169	-1.3	115.8
13	F	36	Very low	40.8	Very low	209 Å²	209	142.1 Å²	142.1	92%	0.917	74%	0.74	S	S	*	*			trans	-142.1	135.4	150.2	-81.9	-90.4	0	0	0	105.2	E11	E11-F13 PolarHBondContact O-N 3.5Å
14	G	33.3	Very low	42.1	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	73%	0.73	S	S	*	*			cis	173	145.6	7.7	0	0	0	0	0	105.6
15	D	35.6	Very low	43.9	Very low	165 Å²	165	139.2 Å²	139.2	88%	0.882	72%	0.72	S	S	*	*			trans	-54.4	152.6	-178.6	-86.1	-50.1	0	0	0	115.5
16	S	38.6	Very low	45.5	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	71%	0.709	S	S	*	*			trans	52.8	108.5	135	-178	0	0	0	0	118.6
17	K	41	Very low	47.3	Very low	197 Å²	197	136.7 Å²	136.7	86%	0.857	70%	0.702	S	S	*	*			trans	-173.3	84.6	138.7	-102.4	168.2	-165.5	-173.9	0	109.4
18	N	46.4	Very low	49.2	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	69%	0.687	S	S	*	*			trans	-159.3	35.3	161.4	-100.9	-12.8	0	0	0	113.4
19	T	54	Low	50.8	Low	103 Å²	103	132.6 Å²	132.6	63%	0.632	68%	0.675	S	S	*	*			trans	-103.2	18.7	-173.9	-14.1	0	0	0	0	118.4
20	P	52	Low	52.6	Low	87 Å²	87	128.4 Å²	128.4	57%	0.565	66%	0.657	S	S	*	*	S	Bend	trans	-93.8	-35.6	165.5	-1.5	19.7	0	0	0	113.8
21	V	59.5	Low	54.5	Low	92 Å²	92	126.7 Å²	126.7	56%	0.558	65%	0.647	S	S	*	*	H	α-helix	trans	-73.5	-38.8	-167	-179.3	0	0	0	0	112.3	T23 L25	V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 3.11Å; V21-L25 HydrophobicContact CG1-CD1 3.83Å; V21-L25 PolarHBondContact O-N 2.95Å
22	N	62.1	Low	56.4	Low	107 Å²	107	123.5 Å²	123.5	57%	0.572	63%	0.633	S	S	*	*	H	α-helix	trans	-69.2	-28.6	-179.2	-86.7	-15.5	0	0	0	113.8	R26	N22-R26 WeakPolarHBondContact O-CG 3.4Å; N22-R26 PolarHBondContact O-N 3.33Å; N22-R26 VanDerWaalsContact O-N 3.17Å
23	T	67.1	Low	57.9	Low	76 Å²	76	116.6 Å²	116.6	47%	0.466	62%	0.615	S	S	.	*	H	α-helix	trans	-76.1	-41.4	-179.3	-37.5	0	0	0	0	111	V21 R26 L27	V21-T23 VanDerWaalsContact C-N 3.34Å; V21-T23 PolarHBondContact O-N 3.11Å; T23-R26 PolarHBondContact O-N 3.49Å; T23-L27 HydrophobicContact CG2-CD1 4.47Å; T23-L27 PolarHBondContact O-N 3.19Å; T23-L27 VanDerWaalsContact O-N 3.08Å
24	L	64.4	Low	59.1	Low	123 Å²	123	111.3 Å²	111.3	64%	0.644	60%	0.596	S	S	*	*	H	α-helix	trans	-64.1	-43.4	175.6	-83.9	156.1	0	0	0	111.9	L27 S28	L24-L27 PolarHBondContact O-N 3.41Å; L24-S28 PolarHBondContact O-N 3.2Å; L24-S28 PolarHBondContact O-OG 3.49Å
25	L	69.7	Low	60.1	Low	85 Å²	85	112.4 Å²	112.4	45%	0.445	58%	0.584	S	S	.	*	H	α-helix	trans	-61.1	-43.5	174.7	-85	154.5	0	0	0	112	V21 L27 S28 W29	V21-L25 HydrophobicContact CG1-CD1 3.83Å; V21-L25 PolarHBondContact O-N 2.95Å; L25-L27 PolarHBondContact O-N 2.82Å; L25-S28 WeakPolarHBondContact CA-OG 3.35Å; L25-S28 PolarHBondContact O-N 2.96Å; L25-S28 PolarHBondContact O-OG 3.38Å; L25-W29 PolarHBondContact O-N 3.08Å
26	R	68.4	Low	60.9	Low	185 Å²	185	108.4 Å²	108.4	70%	0.698	56%	0.562	S	S	*	*	H	α-helix	trans	-64.7	-39.3	178.2	-77.4	-179.5	178.9	-166.8	0.3	112.7	N22 T23 W29 I30	N22-R26 WeakPolarHBondContact O-CG 3.4Å; N22-R26 PolarHBondContact O-N 3.33Å; N22-R26 VanDerWaalsContact O-N 3.17Å; T23-R26 PolarHBondContact O-N 3.49Å; R26-W29 PolarHBondContact O-N 3.17Å; R26-I30 VanDerWaalsContact O-CG1 3.31Å; R26-I30 WeakPolarHBondContact O-CG1 3.43Å; R26-I30 PolarHBondContact O-N 2.85Å
27	L	72.3	Confident	61.4	Low	102 Å²	102	112.2 Å²	112.2	53%	0.534	57%	0.567	S	S	.	*	H	α-helix	trans	-67	-39.4	176.9	-79.6	159.7	0	0	0	112.1	T23 L24 L25 I30 M31	T23-L27 HydrophobicContact CG2-CD1 4.47Å; T23-L27 PolarHBondContact O-N 3.19Å; T23-L27 VanDerWaalsContact O-N 3.08Å; L24-L27 PolarHBondContact O-N 3.41Å; L25-L27 PolarHBondContact O-N 2.82Å; L27-I30 PolarHBondContact O-N 2.83Å; L27-M31 WeakPolarHBondContact O-CB 3.46Å; L27-M31 PolarHBondContact O-N 3.46Å
28	S	71.7	Confident	61.8	Low	47 Å²	47	108 Å²	108	33%	0.329	56%	0.558	S	S	.	*	H	α-helix	trans	-68.5	-37.6	175.5	44.7	0	0	0	0	112.6	L24 L25 M31 I32	L24-S28 PolarHBondContact O-N 3.2Å; L24-S28 PolarHBondContact O-OG 3.49Å; L25-S28 WeakPolarHBondContact CA-OG 3.35Å; L25-S28 PolarHBondContact O-N 2.96Å; L25-S28 PolarHBondContact O-OG 3.38Å; S28-M31 PolarHBondContact O-N 3.04Å; S28-I32 WeakPolarHBondContact O-CB 3.06Å; S28-I32 WeakPolarHBondContact O-CD1 3.17Å; S28-I32 WeakPolarHBondContact O-CG1 3.35Å; S28-I32 PolarHBondContact O-N 3.37Å
29	W	66.9	Low	61.7	Low	163 Å²	163	107.1 Å²	107.1	62%	0.617	55%	0.552	S	S	*	*	H	α-helix	trans	-63.3	-41.4	172.4	-85.2	100.9	0	0	0	113	L25 R26 I32 L33	L25-W29 PolarHBondContact O-N 3.08Å; R26-W29 PolarHBondContact O-N 3.17Å; W29-I32 PolarHBondContact O-N 3.01Å; W29-L33 WeakPolarHBondContact O-CB 3.43Å; W29-L33 WeakPolarHBondContact O-CG 3.48Å; W29-L33 PolarHBondContact O-N 3.36Å
30	I	72.7	Confident	61.4	Low	97 Å²	97	111.1 Å²	111.1	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-66.6	-40.7	176	-67.2	166.5	0	0	0	110.7	R26 L27 L33 L34	R26-I30 VanDerWaalsContact O-CG1 3.31Å; R26-I30 WeakPolarHBondContact O-CG1 3.43Å; R26-I30 PolarHBondContact O-N 2.85Å; L27-I30 PolarHBondContact O-N 2.83Å; I30-L33 PolarHBondContact O-N 3.39Å; I30-L34 HydrophobicContact CG2-CD1 3.77Å; I30-L34 WeakPolarHBondContact O-CB 3.41Å; I30-L34 WeakPolarHBondContact O-CG 3.21Å; I30-L34 PolarHBondContact O-N 2.94Å
31	M	68.7	Low	61	Low	115 Å²	115	111.5 Å²	111.5	57%	0.567	56%	0.562	S	S	*	*	H	α-helix	trans	-63.4	-41.9	174	-111.9	-165.5	-69.9	0	0	112.1	L27 S28 L34 L35	L27-M31 WeakPolarHBondContact O-CB 3.46Å; L27-M31 PolarHBondContact O-N 3.46Å; S28-M31 PolarHBondContact O-N 3.04Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L35 VanDerWaalsContact O-CB 3.23Å; M31-L35 WeakPolarHBondContact O-CB 3.29Å; M31-L35 WeakPolarHBondContact O-CD1 3.36Å; M31-L35 WeakPolarHBondContact O-CG 3.4Å; M31-L35 PolarHBondContact O-N 3.38Å
32	I	70.5	Confident	60.3	Low	85 Å²	85	113 Å²	113	44%	0.436	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-42.1	176.8	-71.4	163	0	0	0	110.5	S28 W29 L35 L36	S28-I32 WeakPolarHBondContact O-CB 3.06Å; S28-I32 WeakPolarHBondContact O-CD1 3.17Å; S28-I32 WeakPolarHBondContact O-CG1 3.35Å; S28-I32 PolarHBondContact O-N 3.37Å; W29-I32 PolarHBondContact O-N 3.01Å; I32-L35 PolarHBondContact O-N 3.47Å; I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 VanDerWaalsContact O-CB 3.29Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 WeakPolarHBondContact O-CD1 3.23Å; I32-L36 VanDerWaalsContact O-CG 3.26Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 2.97Å
33	L	64.6	Low	59.9	Low	104 Å²	104	112.2 Å²	112.2	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-67.8	-36.1	175.9	-74.4	166.9	0	0	0	112.8	W29 I30 K37	W29-L33 WeakPolarHBondContact O-CB 3.43Å; W29-L33 WeakPolarHBondContact O-CG 3.48Å; W29-L33 PolarHBondContact O-N 3.36Å; I30-L33 PolarHBondContact O-N 3.39Å; L33-K37 PolarHBondContact O-N 3.43Å
34	L	60.6	Low	60.2	Low	99 Å²	99	115.6 Å²	115.6	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-70.6	-41.3	173.7	-79.5	162.9	0	0	0	111.5	I30 M31 K37 V38	I30-L34 HydrophobicContact CG2-CD1 3.77Å; I30-L34 WeakPolarHBondContact O-CB 3.41Å; I30-L34 WeakPolarHBondContact O-CG 3.21Å; I30-L34 PolarHBondContact O-N 2.94Å; M31-L34 PolarHBondContact O-N 3.47Å; L34-K37 PolarHBondContact O-N 3.43Å; L34-V38 WeakPolarHBondContact O-CB 3.38Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 2.78Å
35	L	54.9	Low	61.3	Low	94 Å²	94	111.1 Å²	111.1	49%	0.492	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-39.8	173.8	-80.3	158	0	0	0	110.9	M31 I32 V38 L39	M31-L35 VanDerWaalsContact O-CB 3.23Å; M31-L35 WeakPolarHBondContact O-CB 3.29Å; M31-L35 WeakPolarHBondContact O-CD1 3.36Å; M31-L35 WeakPolarHBondContact O-CG 3.4Å; M31-L35 PolarHBondContact O-N 3.38Å; I32-L35 PolarHBondContact O-N 3.47Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 WeakPolarHBondContact O-CD1 3.41Å; L35-L39 WeakPolarHBondContact O-CG 3.5Å; L35-L39 PolarHBondContact O-N 2.97Å
36	L	52.6	Low	62.5	Low	81 Å²	81	108.8 Å²	108.8	42%	0.424	55%	0.545	S	S	.	.	H	α-helix	trans	-63.4	-41.1	172	-79.2	159.8	0	0	0	111.4	I32 L39 Y40	I32-L36 HydrophobicContact CG2-CD1 3.73Å; I32-L36 HydrophobicContact CG2-CG 4.46Å; I32-L36 VanDerWaalsContact O-CB 3.29Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 WeakPolarHBondContact O-CD1 3.23Å; I32-L36 VanDerWaalsContact O-CG 3.26Å; I32-L36 WeakPolarHBondContact O-CG 3.32Å; I32-L36 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 3.2Å; L36-Y40 HydrophobicContact CD2-CE2 4.38Å; L36-Y40 WeakPolarHBondContact O-CB 3.44Å; L36-Y40 WeakPolarHBondContact O-CD2 3.23Å; L36-Y40 PolarHBondContact O-N 2.92Å
37	K	50	Low	63.9	Low	173 Å²	173	100.2 Å²	100.2	75%	0.752	51%	0.514	S	S	*	.	H	α-helix	trans	-67.5	-33.7	174	-80.9	-172.4	175.6	-172.4	0	113.5	L33 L34	L33-K37 PolarHBondContact O-N 3.43Å; L34-K37 PolarHBondContact O-N 3.43Å
38	V	48.5	Very low	65.1	Low	109 Å²	109	98.1 Å²	98.1	66%	0.661	51%	0.505	S	S	*	.	H	α-helix	trans	-78.1	-31.7	178.1	173.2	0	0	0	0	111.4	L34 L35	L34-V38 WeakPolarHBondContact O-CB 3.38Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 2.78Å; L35-V38 PolarHBondContact O-N 2.96Å
39	L	44.6	Very low	66.3	Low	123 Å²	123	96 Å²	96	64%	0.644	49%	0.49	S	S	*	.	H	α-helix	trans	-79.9	-24.1	177.5	-72	163.7	0	0	0	113.3	L35 L36 S41	L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 WeakPolarHBondContact O-CD1 3.41Å; L35-L39 WeakPolarHBondContact O-CG 3.5Å; L35-L39 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 3.2Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.13Å
40	Y	47.5	Very low	67.7	Low	187 Å²	187	90.4 Å²	90.4	73%	0.733	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.7	176.4	-96	-81.4	0	0	0	114.8	L36 E42	L36-Y40 HydrophobicContact CD2-CE2 4.38Å; L36-Y40 WeakPolarHBondContact O-CB 3.44Å; L36-Y40 WeakPolarHBondContact O-CD2 3.23Å; L36-Y40 PolarHBondContact O-N 2.92Å; Y40-E42 PolarHBondContact O-N 2.89Å
41	S	43	Very low	68.5	Low	95 Å²	95	88.9 Å²	88.9	66%	0.664	47%	0.465	S	S	*	.			trans	-77.5	53	157.3	178.3	0	0	0	0	109.3	L39 A43	L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.13Å; S41-A43 PolarHBondContact O-N 3.38Å
42	E	46.6	Very low	69.5	Low	122 Å²	122	90.8 Å²	90.8	57%	0.57	48%	0.478	S	S	*	.			trans	-53	115.7	152.6	-81	-174.8	158.2	0	0	105.2	Y40 R44	Y40-E42 PolarHBondContact O-N 2.89Å; E42-R44 VanDerWaalsContact C-N 3.31Å; E42-R44 PolarHBondContact O-N 3.06Å
43	A	52.6	Low	70.5	Confident	92 Å²	92	89.4 Å²	89.4	76%	0.76	47%	0.473	S	S	*	.			trans	-54	105.5	169.3	0	0	0	0	0	105.6	S41 G45	S41-A43 PolarHBondContact O-N 3.38Å; A43-G45 PolarHBondContact O-N 3.31Å
44	R	73.6	Confident	72	Confident	146 Å²	146	85 Å²	85	55%	0.551	45%	0.452	S	S	*	.			trans	-53.2	109.2	178.8	-80.2	-178.5	175.5	151.1	-3.1	106.6	E42 Y229	E42-R44 VanDerWaalsContact C-N 3.31Å; E42-R44 PolarHBondContact O-N 3.06Å; R44-Y229 HydrophobicContact CB-CD2 3.96Å; R44-Y229 HydrophobicContact CB-CG 4.14Å; R44-Y229 PolarHBondContact NH1-OH 2.61Å; R44-Y229 WeakPolarHBondContact O-CB 3.14Å
45	G	86.8	Confident	73.8	Confident	29 Å²	29	82.6 Å²	82.6	30%	0.299	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-63.2	156.9	177.4	0	0	0	0	0	110	A43 S59	A43-G45 PolarHBondContact O-N 3.31Å; G45-S59 PolarHBondContact N-OG 2.88Å; G45-S59 VanDerWaalsContact N-OG 3.16Å
46	K	95.2	Very high	75.8	Confident	36 Å²	36	78.3 Å²	78.3	16%	0.157	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-59.9	146.8	175	-68.4	-74	-173.1	163.9	0	110.3	G226 K228 V231 D278 T279	K46-G226 VanDerWaalsContact CE-O 3.23Å; K46-G226 WeakPolarHBondContact CE-O 3.29Å; K46-G226 PolarHBondContact NZ-O 2.93Å; K46-K228 PolarHBondContact NZ-O 3.12Å; K46-V231 PolarHBondContact NZ-O 3.29Å; K46-D278 HydrophobicContact CB-CB 4.26Å; K46-D278 HydrophobicContact CG-CB 3.94Å; K46-T279 WeakPolarHBondContact CE-OG1 3.39Å; K46-T279 PolarHBondContact NZ-OG1 3.45Å
47	V	97.7	Very high	78	Confident	6 Å²	6	75.4 Å²	75.4	4%	0.036	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-67.4	136.9	168.3	175	0	0	0	0	108.3	F56 V57 F66 Y137 L232 L280	V47-F56 HydrophobicContact CG1-CB 3.85Å; V47-F56 HydrophobicContact CG1-CD1 3.99Å; V47-F56 HydrophobicContact CG1-CG 4.43Å; V47-V57 WeakPolarHBondContact CA-O 3.34Å; V47-F66 HydrophobicContact CG1-CE2 4.42Å; V47-F66 HydrophobicContact CG1-CZ 4.33Å; V47-F66 HydrophobicContact CG2-CZ 4.25Å; V47-Y137 HydrophobicContact CG2-CE1 3.8Å; V47-L232 HydrophobicContact CB-CD1 3.77Å; V47-L232 HydrophobicContact CG1-CD1 3.86Å; V47-L232 HydrophobicContact CG2-CD1 4.1Å; V47-L280 HydrophobicContact CG1-CD1 4.34Å
48	T	97.7	Very high	80.1	Confident	58 Å²	58	68.2 Å²	68.2	36%	0.356	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	174.3	176.6	59.7	0	0	0	0	110	F56 V57	T48-F56 CarbonylContact O-C 3.57Å; T48-F56 WeakPolarHBondContact O-CA 3.28Å; T48-V57 PolarHBondContact N-O 3.37Å; T48-V57 PolarHBondContact O-N 2.91Å
49	I	98.2	Very high	82.2	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.5	170.8	-54.8	-56.3	0	0	0	109.7	D51 Y55 F56 L280 K317 V320	I49-D51 PolarHBondContact O-N 2.78Å; I49-Y55 WeakPolarHBondContact CA-O 3.5Å; I49-F56 HydrophobicContact CD1-CD1 3.44Å; I49-F56 VanDerWaalsContact CD1-CD1 3.44Å; I49-F56 HydrophobicContact CD1-CE1 3.61Å; I49-F56 HydrophobicContact CD1-CG 3.99Å; I49-F56 HydrophobicContact CD1-CZ 4.25Å; I49-L280 HydrophobicContact CD1-CD1 4.21Å; I49-L280 HydrophobicContact CD1-CD2 4.43Å; I49-L280 HydrophobicContact CG1-CD2 4.07Å; I49-K317 PolarHBondContact N-O 3.06Å; I49-K317 WeakPolarHBondContact O-CA 3.48Å; I49-K317 WeakPolarHBondContact O-CB 3.3Å; I49-V320 HydrophobicContact CD1-CG2 3.91Å; I49-V320 HydrophobicContact CG1-CG2 4.2Å
50	D	95.3	Very high	84.4	Confident	47 Å²	47	64.9 Å²	64.9	25%	0.251	35%	0.354	S	S	.	.			trans	-70	118.6	166.7	-177.6	-98.5	0	0	0	109.8	D52 T53 G54 Y55 V57	D50-D52 VanDerWaalsContact C-N 3.25Å; D50-D52 PolarHBondContact O-N 3.16Å; D50-D52 PolarHBondContact OD1-N 2.92Å; D50-T53 WeakPolarHBondContact CB-OG1 3.18Å; D50-T53 VanDerWaalsContact CG-OG1 3.3Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-T53 WeakPolarHBondContact OD1-CB 3.31Å; D50-T53 WeakPolarHBondContact OD1-CG2 3.13Å; D50-T53 PolarHBondContact OD1-N 2.84Å; D50-T53 PolarHBondContact OD1-OG1 3.06Å; D50-G54 VanDerWaalsContact O-CA 3.28Å; D50-G54 WeakPolarHBondContact O-CA 3.44Å; D50-G54 PolarHBondContact O-N 2.91Å; D50-Y55 PolarHBondContact N-O 2.74Å; D50-V57 HydrophobicContact CB-CG2 3.8Å
51	D	88.6	Confident	86.5	Confident	65 Å²	65	58 Å²	58	35%	0.348	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.7	-170.8	-160.6	26	0	0	0	113	I49 R316 K317	I49-D51 PolarHBondContact O-N 2.78Å; D51-R316 VanDerWaalsContact OD1-CB 3.23Å; D51-R316 WeakPolarHBondContact OD1-CB 3.45Å; D51-R316 WeakPolarHBondContact OD1-CD 3.5Å; D51-K317 HydrophobicContact CB-CD 4.47Å; D51-K317 HydrophobicContact CB-CG 4.1Å
52	D	89.8	Confident	89	Confident	155 Å²	155	57 Å²	57	83%	0.829	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-37.6	-179	-66.9	-33.2	0	0	0	112	D50	D50-D52 VanDerWaalsContact C-N 3.25Å; D50-D52 PolarHBondContact O-N 3.16Å; D50-D52 PolarHBondContact OD1-N 2.92Å
53	T	92.8	Very high	91.4	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.344	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-21	-172.5	61.9	0	0	0	0	114.3	D50 Y55	D50-T53 WeakPolarHBondContact CB-OG1 3.18Å; D50-T53 VanDerWaalsContact CG-OG1 3.3Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-T53 WeakPolarHBondContact OD1-CB 3.31Å; D50-T53 WeakPolarHBondContact OD1-CG2 3.13Å; D50-T53 PolarHBondContact OD1-N 2.84Å; D50-T53 PolarHBondContact OD1-OG1 3.06Å; T53-Y55 HydrophobicContact CG2-CD2 4.09Å; T53-Y55 HydrophobicContact CG2-CE2 4.22Å; T53-Y55 PolarHBondContact O-N 3.29Å; T53-Y55 WeakPolarHBondContact OG1-CD2 3.39Å; T53-Y55 PolarHBondContact OG1-N 2.78Å
54	G	96.1	Very high	93.6	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	27%	0.267	C	S	.	.			trans	73.3	12.3	-172	0	0	0	0	0	114.1	D50 G368 G369	D50-G54 VanDerWaalsContact O-CA 3.28Å; D50-G54 WeakPolarHBondContact O-CA 3.44Å; D50-G54 PolarHBondContact O-N 2.91Å; G54-G368 VanDerWaalsContact CA-O 3.23Å; G54-G368 WeakPolarHBondContact CA-O 3.14Å; G54-G369 WeakPolarHBondContact O-CA 3.25Å
55	Y	97.3	Very high	94.7	Very high	49 Å²	49	41.6 Å²	41.6	19%	0.192	24%	0.242	C	C	.	.			trans	-80.2	149.1	178.4	-66.5	-44.6	0	0	0	112.5	I49 D50 T53 I63 F403 P440	I49-Y55 WeakPolarHBondContact CA-O 3.5Å; D50-Y55 PolarHBondContact N-O 2.74Å; T53-Y55 HydrophobicContact CG2-CD2 4.09Å; T53-Y55 HydrophobicContact CG2-CE2 4.22Å; T53-Y55 PolarHBondContact O-N 3.29Å; T53-Y55 WeakPolarHBondContact OG1-CD2 3.39Å; T53-Y55 PolarHBondContact OG1-N 2.78Å; Y55-I63 HydrophobicContact CD2-CD1 3.56Å; Y55-I63 HydrophobicContact CD2-CG1 4.34Å; Y55-I63 HydrophobicContact CD2-CG2 4.46Å; Y55-I63 HydrophobicContact CE2-CD1 4.31Å; Y55-I63 HydrophobicContact CG-CD1 4.18Å; Y55-I63 HydrophobicContact CG-CG2 4.14Å; Y55-F403 AromaticContact CD1-CD1 3.95Å; Y55-F403 HydrophobicContact CD1-CD1 3.95Å; Y55-F403 HydrophobicContact CD1-CE1 4.34Å; Y55-F403 HydrophobicContact CE1-CB 4.45Å; Y55-F403 AromaticContact CE1-CD1 3.62Å; Y55-F403 HydrophobicContact CE1-CD1 3.62Å; Y55-F403 HydrophobicContact CE1-CE1 4.36Å; Y55-F403 HydrophobicContact CE1-CG 4.4Å; Y55-P440 HydrophobicContact CE2-CG 4.38Å
56	F	98.4	Very high	95.3	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.022	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.9	168.9	-61.7	-89.6	0	0	0	110.1	V47 T48 I49 I63 K64 F66 L232 L280 F282 V320 R370 F371	V47-F56 HydrophobicContact CG1-CB 3.85Å; V47-F56 HydrophobicContact CG1-CD1 3.99Å; V47-F56 HydrophobicContact CG1-CG 4.43Å; T48-F56 CarbonylContact O-C 3.57Å; T48-F56 WeakPolarHBondContact O-CA 3.28Å; I49-F56 HydrophobicContact CD1-CD1 3.44Å; I49-F56 VanDerWaalsContact CD1-CD1 3.44Å; I49-F56 HydrophobicContact CD1-CE1 3.61Å; I49-F56 HydrophobicContact CD1-CG 3.99Å; I49-F56 HydrophobicContact CD1-CZ 4.25Å; F56-I63 CarbonylContact O-C 3.47Å; F56-I63 VanDerWaalsContact O-CA 3.28Å; F56-I63 WeakPolarHBondContact O-CA 3.46Å; F56-K64 HydrophobicContact CB-CB 4.02Å; F56-K64 PolarHBondContact O-N 2.84Å; F56-F66 HydrophobicContact CB-CD2 4.35Å; F56-F66 HydrophobicContact CB-CE2 3.63Å; F56-F66 HydrophobicContact CD1-CD2 4.32Å; F56-F66 AromaticContact CD1-CE2 3.79Å; F56-F66 HydrophobicContact CD1-CE2 3.79Å; F56-F66 HydrophobicContact CD2-CD2 4.06Å; F56-F66 HydrophobicContact CD2-CE2 4.12Å; F56-F66 HydrophobicContact CE1-CE2 4.5Å; F56-F66 HydrophobicContact CE2-CD2 4.5Å; F56-F66 AromaticContact CG-CD2 4Å; F56-F66 HydrophobicContact CG-CD2 4Å; F56-F66 AromaticContact CG-CE2 3.58Å; F56-F66 HydrophobicContact CG-CE2 3.58Å; F56-L232 HydrophobicContact CD1-CD1 4.47Å; F56-L280 HydrophobicContact CD1-CD1 3.82Å; F56-L280 HydrophobicContact CE1-CD1 3.74Å; F56-F282 HydrophobicContact CE1-CZ 4.18Å; F56-F282 HydrophobicContact CZ-CZ 4.44Å; F56-V320 HydrophobicContact CE1-CG1 4.37Å; F56-V320 HydrophobicContact CE1-CG2 3.72Å; F56-V320 HydrophobicContact CZ-CG1 3.86Å; F56-V320 HydrophobicContact CZ-CG2 4.02Å; F56-R370 WeakPolarHBondContact CE2-O 3.31Å; F56-F371 HydrophobicContact CE1-CD2 4.46Å; F56-F371 HydrophobicContact CE2-CD2 4.04Å; F56-F371 HydrophobicContact CZ-CB 4.3Å; F56-F371 AromaticContact CZ-CD2 3.67Å; F56-F371 HydrophobicContact CZ-CD2 3.67Å; F56-F371 HydrophobicContact CZ-CG 4.47Å
57	V	97.1	Very high	95.4	Very high	20 Å²	20	38.7 Å²	38.7	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.1	-176.9	-179.9	0	0	0	0	110	V47 T48 D50 G61 F62 I63	V47-V57 WeakPolarHBondContact CA-O 3.34Å; T48-V57 PolarHBondContact N-O 3.37Å; T48-V57 PolarHBondContact O-N 2.91Å; D50-V57 HydrophobicContact CB-CG2 3.8Å; V57-G61 VanDerWaalsContact CG1-CA 3.45Å; V57-F62 WeakPolarHBondContact CA-O 3.43Å; V57-I63 HydrophobicContact CG2-CG1 4.17Å
58	D	95.1	Very high	95.3	Very high	22 Å²	22	38.4 Å²	38.4	12%	0.118	22%	0.219	C	C	.	.			trans	-78.5	177.1	174.1	72.5	17.4	0	0	0	112.7	N60 G61 F62 K64	D58-N60 PolarHBondContact O-N 2.96Å; D58-N60 VanDerWaalsContact O-N 3.13Å; D58-N60 WeakPolarHBondContact OD1-CA 3.35Å; D58-N60 WeakPolarHBondContact OD1-CB 3.2Å; D58-N60 PolarHBondContact OD1-N 3.39Å; D58-G61 PolarHBondContact O-N 3.46Å; D58-G61 PolarHBondContact OD1-N 3.06Å; D58-F62 PolarHBondContact N-O 3.23Å; D58-F62 PolarHBondContact OD1-N 3.32Å; D58-K64 HydrophobicContact CB-CD 4.06Å; D58-K64 HydrophobicContact CB-CG 4.12Å
59	S	91.6	Very high	95.2	Very high	68 Å²	68	35.8 Å²	35.8	48%	0.476	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	-179.4	33.8	0	0	0	0	114.6	G45 G61	G45-S59 PolarHBondContact N-OG 2.88Å; G45-S59 VanDerWaalsContact N-OG 3.16Å; S59-G61 VanDerWaalsContact C-N 3.34Å
60	N	91	Very high	95.1	Very high	94 Å²	94	35.7 Å²	35.7	50%	0.503	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.8	175.9	-65.2	-43.8	0	0	0	112.6	D58 F62	D58-N60 PolarHBondContact O-N 2.96Å; D58-N60 VanDerWaalsContact O-N 3.13Å; D58-N60 WeakPolarHBondContact OD1-CA 3.35Å; D58-N60 WeakPolarHBondContact OD1-CB 3.2Å; D58-N60 PolarHBondContact OD1-N 3.39Å; N60-F62 HydrophobicContact CB-CD1 4.48Å; N60-F62 HydrophobicContact CB-CD2 4.44Å; N60-F62 HydrophobicContact CB-CE2 4.48Å; N60-F62 HydrophobicContact CB-CG 4.44Å
61	G	92.1	Very high	95.1	Very high	41 Å²	41	33.6 Å²	33.6	42%	0.423	19%	0.192	S	C	.	.	S	Bend	trans	81.6	13.7	-176.1	0	0	0	0	0	113.6	V57 D58 S59	V57-G61 VanDerWaalsContact CG1-CA 3.45Å; D58-G61 PolarHBondContact O-N 3.46Å; D58-G61 PolarHBondContact OD1-N 3.06Å; S59-G61 VanDerWaalsContact C-N 3.34Å
62	F	95.3	Very high	95.4	Very high	76 Å²	76	31.1 Å²	31.1	33%	0.333	18%	0.179	S	C	.	.			trans	-86	135.8	177.7	-61.3	-12.6	0	0	0	110.8	V57 D58 N60 T436 A437	V57-F62 WeakPolarHBondContact CA-O 3.43Å; D58-F62 PolarHBondContact N-O 3.23Å; D58-F62 PolarHBondContact OD1-N 3.32Å; N60-F62 HydrophobicContact CB-CD1 4.48Å; N60-F62 HydrophobicContact CB-CD2 4.44Å; N60-F62 HydrophobicContact CB-CE2 4.48Å; N60-F62 HydrophobicContact CB-CG 4.44Å; F62-T436 CarbonylContact C-O 3.59Å; F62-T436 WeakPolarHBondContact CA-O 3.15Å; F62-A437 HydrophobicContact CD1-CB 3.7Å; F62-A437 HydrophobicContact CE1-CB 3.48Å; F62-A437 VanDerWaalsContact CE1-CB 3.48Å; F62-A437 HydrophobicContact CG-CB 4.43Å; F62-A437 HydrophobicContact CZ-CB 4.02Å
63	I	97.3	Very high	95.6	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.8	175	-73.3	169.3	0	0	0	109.3	Y55 F56 V57 F403 S435 T436 G438 P440	Y55-I63 HydrophobicContact CD2-CD1 3.56Å; Y55-I63 HydrophobicContact CD2-CG1 4.34Å; Y55-I63 HydrophobicContact CD2-CG2 4.46Å; Y55-I63 HydrophobicContact CE2-CD1 4.31Å; Y55-I63 HydrophobicContact CG-CD1 4.18Å; Y55-I63 HydrophobicContact CG-CG2 4.14Å; F56-I63 CarbonylContact O-C 3.47Å; F56-I63 VanDerWaalsContact O-CA 3.28Å; F56-I63 WeakPolarHBondContact O-CA 3.46Å; V57-I63 HydrophobicContact CG2-CG1 4.17Å; I63-F403 HydrophobicContact CG2-CE1 3.59Å; I63-F403 HydrophobicContact CG2-CZ 3.99Å; I63-S435 CarbonylContact O-C 3.54Å; I63-S435 VanDerWaalsContact O-CA 3.29Å; I63-S435 WeakPolarHBondContact O-CA 3.33Å; I63-T436 PolarHBondContact N-O 2.77Å; I63-T436 PolarHBondContact O-N 3.22Å; I63-G438 WeakPolarHBondContact CD1-O 3.14Å; I63-P440 HydrophobicContact CD1-CG 4.41Å; I63-P440 HydrophobicContact CG2-CG 4.01Å
64	K	97.8	Very high	95.6	Very high	27 Å²	27	26 Å²	26	12%	0.117	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137	-179.2	-55.6	-59.9	-69.8	163.9	0	110.3	F56 D58 F66 Q434 S435	F56-K64 HydrophobicContact CB-CB 4.02Å; F56-K64 PolarHBondContact O-N 2.84Å; D58-K64 HydrophobicContact CB-CD 4.06Å; D58-K64 HydrophobicContact CB-CG 4.12Å; K64-F66 HydrophobicContact CB-CD2 4.42Å; K64-F66 HydrophobicContact CB-CE1 4.37Å; K64-F66 HydrophobicContact CB-CE2 3.7Å; K64-F66 HydrophobicContact CB-CZ 3.66Å; K64-F66 HydrophobicContact CG-CZ 4.22Å; K64-Q434 WeakPolarHBondContact CE-O 3.22Å; K64-Q434 PolarHBondContact NZ-O 3.5Å; K64-S435 WeakPolarHBondContact CD-OG 3.1Å; K64-S435 PolarHBondContact NZ-OG 3.23Å
65	L	98.3	Very high	95.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.165	C	C	.	.			trans	-117.1	126.5	168.4	-173.2	60	0	0	0	108	N98 F403 Y432 L443	L65-N98 PolarHBondContact O-ND2 2.98Å; L65-F403 HydrophobicContact CB-CE1 4.14Å; L65-F403 HydrophobicContact CB-CE2 4.43Å; L65-F403 HydrophobicContact CB-CZ 3.87Å; L65-F403 HydrophobicContact CD1-CD1 4.13Å; L65-F403 HydrophobicContact CD1-CE1 4.14Å; L65-F403 HydrophobicContact CD1-CG 4.39Å; L65-F403 HydrophobicContact CD1-CZ 4.43Å; L65-F403 HydrophobicContact CD2-CD2 4.05Å; L65-F403 HydrophobicContact CD2-CE2 3.81Å; L65-F403 HydrophobicContact CD2-CZ 4.1Å; L65-F403 HydrophobicContact CG-CZ 4.37Å; L65-Y432 HydrophobicContact CB-CD2 4.34Å; L65-Y432 HydrophobicContact CD2-CD2 3.93Å; L65-Y432 HydrophobicContact CG-CD2 4.15Å; L65-Y432 HydrophobicContact CG-CE2 4.5Å; L65-L443 HydrophobicContact CD2-CD1 3.74Å
66	F	98.6	Very high	95.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.			trans	-111.3	123.1	-174.7	-60.9	-79.7	0	0	0	111.6	V47 F56 K64 N98 V99 Y137 L232 F371 S405 W406	V47-F66 HydrophobicContact CG1-CE2 4.42Å; V47-F66 HydrophobicContact CG1-CZ 4.33Å; V47-F66 HydrophobicContact CG2-CZ 4.25Å; F56-F66 HydrophobicContact CB-CD2 4.35Å; F56-F66 HydrophobicContact CB-CE2 3.63Å; F56-F66 HydrophobicContact CD1-CD2 4.32Å; F56-F66 AromaticContact CD1-CE2 3.79Å; F56-F66 HydrophobicContact CD1-CE2 3.79Å; F56-F66 HydrophobicContact CD2-CD2 4.06Å; F56-F66 HydrophobicContact CD2-CE2 4.12Å; F56-F66 HydrophobicContact CE1-CE2 4.5Å; F56-F66 HydrophobicContact CE2-CD2 4.5Å; F56-F66 AromaticContact CG-CD2 4Å; F56-F66 HydrophobicContact CG-CD2 4Å; F56-F66 AromaticContact CG-CE2 3.58Å; F56-F66 HydrophobicContact CG-CE2 3.58Å; K64-F66 HydrophobicContact CB-CD2 4.42Å; K64-F66 HydrophobicContact CB-CE1 4.37Å; K64-F66 HydrophobicContact CB-CE2 3.7Å; K64-F66 HydrophobicContact CB-CZ 3.66Å; K64-F66 HydrophobicContact CG-CZ 4.22Å; F66-N98 WeakPolarHBondContact CA-OD1 3.48Å; F66-V99 HydrophobicContact CB-CB 4.15Å; F66-V99 HydrophobicContact CB-CG1 3.81Å; F66-V99 HydrophobicContact CD1-CB 4.23Å; F66-Y137 HydrophobicContact CD1-CD2 4.36Å; F66-Y137 AromaticContact CE1-CD2 3.63Å; F66-Y137 HydrophobicContact CE1-CD2 3.63Å; F66-Y137 AromaticContact CE1-CE2 3.96Å; F66-Y137 HydrophobicContact CE1-CE2 3.96Å; F66-Y137 AromaticContact CE1-CG 3.93Å; F66-Y137 HydrophobicContact CE1-CG 3.93Å; F66-L232 HydrophobicContact CD1-CD2 4.39Å; F66-L232 HydrophobicContact CD2-CD2 4.13Å; F66-L232 HydrophobicContact CE1-CD1 4.48Å; F66-L232 HydrophobicContact CE1-CD2 4.33Å; F66-L232 HydrophobicContact CE2-CD1 3.99Å; F66-L232 HydrophobicContact CE2-CD2 4.05Å; F66-L232 HydrophobicContact CG-CD2 4.29Å; F66-L232 HydrophobicContact CZ-CD1 3.79Å; F66-L232 HydrophobicContact CZ-CD2 4.16Å; F66-F371 HydrophobicContact CB-CE2 3.72Å; F66-F371 HydrophobicContact CB-CZ 4.06Å; F66-F371 HydrophobicContact CD2-CE2 4.27Å; F66-F371 HydrophobicContact CG-CE2 4.3Å; F66-S405 PolarHBondContact N-OG 3.18Å; F66-S405 CarbonylContact O-C 3.51Å; F66-S405 WeakPolarHBondContact O-CA 3.37Å; F66-S405 WeakPolarHBondContact O-CB 3.41Å; F66-W406 PolarHBondContact O-N 3.01Å
67	H	97.3	Very high	95	Very high	4 Å²	4	35 Å²	35	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.8	174.3	-64.3	170.6	0	0	0	108.9	I97 N98 W406 Y432	H67-I97 WeakPolarHBondContact O-CA 3.42Å; H67-N98 PolarHBondContact N-OD1 2.92Å; H67-N98 PolarHBondContact O-N 3.34Å; H67-N98 PolarHBondContact O-OD1 2.86Å; H67-W406 CarbonylContact C-O 3.53Å; H67-W406 WeakPolarHBondContact CA-O 3.35Å; H67-W406 HydrophobicContact CB-CD2 4.26Å; H67-W406 HydrophobicContact CB-CE3 4.5Å; H67-W406 HydrophobicContact CB-CH2 3.89Å; H67-W406 HydrophobicContact CB-CZ2 3.57Å; H67-W406 HydrophobicContact CB-CZ3 4.34Å; H67-W406 AromaticContact CD2-CD1 3.37Å; H67-W406 AromaticContact CD2-CE2 3.44Å; H67-W406 VanDerWaalsContact CD2-CE2 3.44Å; H67-W406 AromaticContact CD2-NE1 2.97Å; H67-W406 PolarHBondContact CD2-NE1 3.07Å; H67-W406 AromaticContact CE1-NE1 3.54Å; H67-W406 AromaticContact CG-CE2 3.44Å; H67-W406 VanDerWaalsContact CG-CE2 3.44Å; H67-W406 AromaticContact CG-CZ2 3.51Å; H67-W406 AromaticContact CG-NE1 3.44Å; H67-W406 AromaticContact ND1-CE2 3.88Å; H67-W406 AromaticContact ND1-CZ2 3.69Å; H67-W406 AromaticContact ND1-NE1 3.75Å; H67-W406 AromaticContact NE2-CD1 3.61Å; H67-W406 AromaticContact NE2-CE2 3.92Å; H67-W406 AromaticContact NE2-NE1 3.08Å; H67-W406 PolarHBondContact NE2-NE1 3.16Å; H67-Y432 HydrophobicContact CB-CE1 4.15Å; H67-Y432 HydrophobicContact CB-CE2 4.26Å; H67-Y432 AromaticContact CE1-CD1 3.84Å; H67-Y432 AromaticContact CE1-CD2 3.5Å; H67-Y432 AromaticContact CE1-CE2 3.96Å; H67-Y432 AromaticContact CE1-CG 3.42Å; H67-Y432 VanDerWaalsContact CE1-CG 3.42Å; H67-Y432 AromaticContact CG-CE2 3.79Å; H67-Y432 AromaticContact CG-CZ 3.74Å; H67-Y432 AromaticContact ND1-CD1 3.3Å; H67-Y432 VanDerWaalsContact ND1-CD1 3.3Å; H67-Y432 WeakPolarHBondContact ND1-CD1 3.42Å; H67-Y432 AromaticContact ND1-CD2 3.45Å; H67-Y432 WeakPolarHBondContact ND1-CD2 3.43Å; H67-Y432 AromaticContact ND1-CE1 3.38Å; H67-Y432 WeakPolarHBondContact ND1-CE1 3.45Å; H67-Y432 AromaticContact ND1-CE2 3.51Å; H67-Y432 AromaticContact ND1-CG 3.33Å; H67-Y432 VanDerWaalsContact ND1-CG 3.33Å; H67-Y432 AromaticContact ND1-CZ 3.48Å
68	G	96	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-168.8	-166.6	0	0	0	0	0	116.1	V99 W406 T407 Y408	G68-V99 WeakPolarHBondContact CA-O 3.27Å; G68-W406 PolarHBondContact N-O 2.84Å; G68-W406 VanDerWaalsContact O-CZ3 3.26Å; G68-W406 WeakPolarHBondContact O-CZ3 3.45Å; G68-T407 WeakPolarHBondContact O-CA 3.35Å; G68-Y408 PolarHBondContact O-N 2.66Å
69	I	95.1	Very high	94.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.7	-179	61.6	175.6	0	0	0	110.7	L92 I97 I100 R101 L414 F415	I69-L92 HydrophobicContact CD1-CD1 4.44Å; I69-L92 HydrophobicContact CD1-CD2 3.97Å; I69-I97 HydrophobicContact CG2-CD1 4.13Å; I69-I100 HydrophobicContact CG1-CG1 4.31Å; I69-I100 WeakPolarHBondContact O-CA 3.06Å; I69-R101 PolarHBondContact O-N 3.27Å; I69-L414 HydrophobicContact CB-CD1 4.47Å; I69-L414 HydrophobicContact CG2-CD1 3.37Å; I69-F415 HydrophobicContact CD1-CE1 4.09Å; I69-F415 HydrophobicContact CD1-CE2 3.88Å; I69-F415 HydrophobicContact CD1-CZ 3.54Å
70	N	96.6	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.8	167.7	-80.3	-89.5	0	0	0	110.3	R101 T373 T407 Y408 W409 G411	N70-R101 CarbonylContact C-O 3.44Å; N70-R101 WeakPolarHBondContact OD1-CD 3.5Å; N70-R101 WeakPolarHBondContact OD1-CG 3.23Å; N70-R101 PolarHBondContact OD1-NH1 3.34Å; N70-T373 PolarHBondContact ND2-O 3.33Å; N70-T407 PolarHBondContact ND2-O 3.4Å; N70-Y408 WeakPolarHBondContact CB-O 3.28Å; N70-Y408 PolarHBondContact N-O 2.9Å; N70-Y408 PolarHBondContact ND2-O 2.99Å; N70-W409 HydrophobicContact CB-CD2 4.45Å; N70-W409 HydrophobicContact CB-CE3 3.56Å; N70-W409 HydrophobicContact CB-CZ3 3.94Å; N70-G411 WeakPolarHBondContact O-CA 3.15Å; N70-G411 PolarHBondContact O-N 2.92Å
71	C	95.8	Very high	95.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	73.4	178	-74.3	0	0	0	0	109	I80 L83 I100 R101 L102 G103	C71-I80 HydrophobicContact CB-CD1 3.8Å; C71-L83 HydrophobicContact CB-CD1 4.04Å; C71-I100 HydrophobicContact CB-CG2 3.52Å; C71-I100 VanDerWaalsContact SG-CG2 3.52Å; C71-R101 PolarHBondContact N-O 2.96Å; C71-L102 HydrophobicContact CB-CD1 4.25Å; C71-G103 PolarHBondContact O-N 3.03Å
72	V	94.6	Very high	95.1	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.079	20%	0.198	C	C	.	.			trans	-114	112.4	-178.7	-178.4	0	0	0	0	109.3	K74 H143 W409	V72-K74 HydrophobicContact CG1-CG 4.06Å; V72-H143 HydrophobicContact CG1-CB 3.88Å; V72-W409 HydrophobicContact CB-CH2 3.99Å; V72-W409 HydrophobicContact CB-CZ3 4.2Å; V72-W409 HydrophobicContact CG1-CH2 4.49Å; V72-W409 HydrophobicContact CG2-CH2 4.26Å; V72-W409 HydrophobicContact CG2-CZ3 3.97Å
73	H	93.4	Very high	95.1	Very high	45 Å²	45	35.9 Å²	35.9	21%	0.208	18%	0.182	C	C	.	.			trans	-99.5	111.4	173.2	-165.6	40.7	0	0	0	110.5	V75 F78 Y79 I80 Y412	H73-V75 VanDerWaalsContact C-N 3.31Å; H73-V75 PolarHBondContact CD2-O 3.37Å; H73-V75 WeakPolarHBondContact CE1-CG2 3.47Å; H73-V75 PolarHBondContact NE2-O 3Å; H73-V75 PolarHBondContact O-N 3.16Å; H73-F78 WeakPolarHBondContact O-CA 3.39Å; H73-Y79 PolarHBondContact CD2-O 3.22Å; H73-Y79 VanDerWaalsContact CD2-O 3.28Å; H73-I80 HydrophobicContact CB-CG1 4.49Å; H73-Y412 WeakPolarHBondContact CB-OH 3.45Å; H73-Y412 PolarHBondContact CE1-OH 3.32Å; H73-Y412 AromaticContact ND1-CZ 3.63Å; H73-Y412 PolarHBondContact ND1-OH 2.82Å
74	K	92.2	Very high	95.1	Very high	59 Å²	59	37.4 Å²	37.4	26%	0.257	19%	0.191	S	C	.	.			trans	-84.5	1.4	-171	-66.4	168	175.6	-176.5	0	114.4	V72 H143 D145 I154	V72-K74 HydrophobicContact CG1-CG 4.06Å; K74-H143 WeakPolarHBondContact CE-NE2 3.41Å; K74-H143 PolarHBondContact NZ-NE2 3.25Å; K74-D145 IonicContact NZ-OD2 3.2Å; K74-D145 PolarHBondContact NZ-OD2 3.03Å; K74-I154 HydrophobicContact CB-CD1 3.76Å; K74-I154 HydrophobicContact CD-CD1 3.57Å; K74-I154 HydrophobicContact CG-CD1 3.54Å
75	V	91.6	Very high	95	Very high	86 Å²	86	40 Å²	40	52%	0.521	21%	0.206	S	C	.	.	S	Bend	trans	-136.8	162.9	-177.9	-62.5	0	0	0	0	110.6	H73 F78	H73-V75 VanDerWaalsContact C-N 3.31Å; H73-V75 PolarHBondContact CD2-O 3.37Å; H73-V75 WeakPolarHBondContact CE1-CG2 3.47Å; H73-V75 PolarHBondContact NE2-O 3Å; H73-V75 PolarHBondContact O-N 3.16Å; V75-F78 VanDerWaalsContact O-CA 3.3Å; V75-F78 WeakPolarHBondContact O-CA 3.42Å; V75-F78 PolarHBondContact O-N 3.24Å
76	T	93.4	Very high	94.8	Very high	115 Å²	115	42.1 Å²	42.1	71%	0.706	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	129.4	176.5	-55.8	0	0	0	0	111
77	P	95.2	Very high	94.6	Very high	50 Å²	50	46.8 Å²	46.8	33%	0.325	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94	16.9	14.2	39.5	-39.3	0	0	0	115.6	Y79	P77-Y79 VanDerWaalsContact C-N 3.26Å; P77-Y79 HydrophobicContact CB-CD1 4.11Å; P77-Y79 HydrophobicContact CB-CE1 3.49Å; P77-Y79 VanDerWaalsContact CB-CE1 3.49Å; P77-Y79 HydrophobicContact CG-CD1 4.18Å; P77-Y79 HydrophobicContact CG-CD2 4.47Å; P77-Y79 HydrophobicContact CG-CE1 3.75Å; P77-Y79 HydrophobicContact CG-CE2 4.04Å; P77-Y79 WeakPolarHBondContact O-CD1 3.38Å; P77-Y79 WeakPolarHBondContact O-CE1 3.35Å; P77-Y79 PolarHBondContact O-N 2.87Å
78	F	95.5	Very high	94.4	Very high	33 Å²	33	46.9 Å²	46.9	15%	0.145	24%	0.242	C	C	.	.	S	Bend	trans	64.2	23.6	177.7	-53.6	-83	0	0	0	115.5	H73 V75 S105 I107 A108 Y120	H73-F78 WeakPolarHBondContact O-CA 3.39Å; V75-F78 VanDerWaalsContact O-CA 3.3Å; V75-F78 WeakPolarHBondContact O-CA 3.42Å; V75-F78 PolarHBondContact O-N 3.24Å; F78-S105 WeakPolarHBondContact CD1-OG 3.39Å; F78-I107 HydrophobicContact CD1-CG2 4.3Å; F78-I107 HydrophobicContact CE1-CG2 3.69Å; F78-I107 HydrophobicContact CE2-CG2 4.27Å; F78-I107 HydrophobicContact CZ-CG2 3.67Å; F78-A108 HydrophobicContact CB-CB 3.87Å; F78-A108 HydrophobicContact CD2-CB 3.62Å; F78-A108 HydrophobicContact CE2-CB 4.38Å; F78-A108 HydrophobicContact CG-CB 3.91Å; F78-Y120 HydrophobicContact CB-CE2 4.1Å; F78-Y120 PolarHBondContact O-OH 2.77Å
79	Y	95.1	Very high	94.3	Very high	46 Å²	46	46.9 Å²	46.9	18%	0.18	24%	0.242	C	C	.	.	S	Bend	trans	-149.5	158.6	166.6	59.6	-92.8	0	0	0	109.9	H73 P77 Q81 L84 Y120 T123 I127	H73-Y79 PolarHBondContact CD2-O 3.22Å; H73-Y79 VanDerWaalsContact CD2-O 3.28Å; P77-Y79 VanDerWaalsContact C-N 3.26Å; P77-Y79 HydrophobicContact CB-CD1 4.11Å; P77-Y79 HydrophobicContact CB-CE1 3.49Å; P77-Y79 VanDerWaalsContact CB-CE1 3.49Å; P77-Y79 HydrophobicContact CG-CD1 4.18Å; P77-Y79 HydrophobicContact CG-CD2 4.47Å; P77-Y79 HydrophobicContact CG-CE1 3.75Å; P77-Y79 HydrophobicContact CG-CE2 4.04Å; P77-Y79 WeakPolarHBondContact O-CD1 3.38Å; P77-Y79 WeakPolarHBondContact O-CE1 3.35Å; P77-Y79 PolarHBondContact O-N 2.87Å; Y79-Q81 PolarHBondContact O-N 2.81Å; Y79-L84 HydrophobicContact CD2-CD1 4.39Å; Y79-L84 HydrophobicContact CE2-CD1 3.68Å; Y79-L84 HydrophobicContact CE2-CG 4.35Å; Y79-Y120 HydrophobicContact CD1-CD2 4.32Å; Y79-Y120 HydrophobicContact CD1-CE2 4.16Å; Y79-T123 HydrophobicContact CD1-CG2 3.86Å; Y79-T123 HydrophobicContact CD2-CG2 4.07Å; Y79-T123 HydrophobicContact CE1-CG2 3.6Å; Y79-T123 HydrophobicContact CE2-CG2 3.84Å; Y79-T123 HydrophobicContact CG-CG2 4.1Å; Y79-I127 HydrophobicContact CD2-CD1 4.21Å; Y79-I127 HydrophobicContact CG-CD1 4.27Å
80	I	93.5	Very high	94.2	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.067	26%	0.258	C	S	.	.			trans	-81.8	113.8	175.4	-63.4	171.7	0	0	0	108.9	C71 H73 K82 L83 Y412 F415	C71-I80 HydrophobicContact CB-CD1 3.8Å; H73-I80 HydrophobicContact CB-CG1 4.49Å; I80-K82 HydrophobicContact CG2-CB 3.96Å; I80-K82 PolarHBondContact O-N 3.42Å; I80-K82 VanDerWaalsContact O-N 3.14Å; I80-L83 HydrophobicContact CB-CD1 3.95Å; I80-L83 HydrophobicContact CB-CG 3.97Å; I80-L83 HydrophobicContact CG2-CG 4.15Å; I80-L83 WeakPolarHBondContact O-CB 3.29Å; I80-L83 PolarHBondContact O-N 2.92Å; I80-Y412 HydrophobicContact CD1-CE1 4.39Å; I80-Y412 HydrophobicContact CD1-CE2 4.25Å; I80-Y412 HydrophobicContact CG1-CE1 4.11Å; I80-Y412 HydrophobicContact CG1-CE2 4.4Å; I80-Y412 VanDerWaalsContact CG1-OH 3.25Å; I80-Y412 WeakPolarHBondContact CG1-OH 3.29Å; I80-F415 HydrophobicContact CD1-CD2 4.36Å; I80-F415 HydrophobicContact CD1-CE2 3.96Å; I80-F415 HydrophobicContact CG2-CE2 4.47Å
81	Q	93.1	Very high	93.9	Very high	152 Å²	152	52.5 Å²	52.5	71%	0.71	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.7	-177.2	-169.9	171.6	20.3	0	0	113.4	Y79 L83 L84	Y79-Q81 PolarHBondContact O-N 2.81Å; Q81-L83 PolarHBondContact O-N 2.85Å; Q81-L84 HydrophobicContact CG-CD1 4.46Å; Q81-L84 WeakPolarHBondContact O-CB 3.23Å; Q81-L84 PolarHBondContact O-N 3.23Å
82	K	92.2	Very high	93.7	Very high	96 Å²	96	52.4 Å²	52.4	42%	0.417	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-59	-26.2	176.8	-170.7	173	178.8	178.4	0	112.9	I80 L84 D85 T88 F415	I80-K82 HydrophobicContact CG2-CB 3.96Å; I80-K82 PolarHBondContact O-N 3.42Å; I80-K82 VanDerWaalsContact O-N 3.14Å; K82-L84 PolarHBondContact O-N 3.07Å; K82-D85 PolarHBondContact O-N 2.88Å; K82-T88 HydrophobicContact CD-CG2 4.48Å; K82-T88 HydrophobicContact CG-CG2 3.96Å; K82-T88 WeakPolarHBondContact CG-OG1 3.35Å; K82-T88 WeakPolarHBondContact O-CB 3.23Å; K82-T88 PolarHBondContact O-OG1 2.88Å; K82-F415 HydrophobicContact CD-CD1 4.16Å; K82-F415 HydrophobicContact CD-CG 4.42Å; K82-F415 PolarHBondContact NZ-O 2.99Å
83	L	94.6	Very high	93.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-74.5	-10.5	177.2	-59.9	178.2	0	0	0	113.3	C71 I80 Q81 D85 T88 F89 I100 L102 I127 N130 F415	C71-L83 HydrophobicContact CB-CD1 4.04Å; I80-L83 HydrophobicContact CB-CD1 3.95Å; I80-L83 HydrophobicContact CB-CG 3.97Å; I80-L83 HydrophobicContact CG2-CG 4.15Å; I80-L83 WeakPolarHBondContact O-CB 3.29Å; I80-L83 PolarHBondContact O-N 2.92Å; Q81-L83 PolarHBondContact O-N 2.85Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-T88 HydrophobicContact CD2-CG2 4.1Å; L83-F89 HydrophobicContact CB-CE2 4.29Å; L83-F89 HydrophobicContact CB-CZ 4.24Å; L83-F89 HydrophobicContact CD2-CE1 4.31Å; L83-F89 HydrophobicContact CD2-CE2 4.32Å; L83-F89 HydrophobicContact CD2-CZ 3.88Å; L83-F89 VanDerWaalsContact O-CE2 3.3Å; L83-F89 WeakPolarHBondContact O-CE2 3.13Å; L83-I100 HydrophobicContact CD2-CD1 4.19Å; L83-L102 HydrophobicContact CD1-CD1 4.18Å; L83-I127 HydrophobicContact CB-CB 4.48Å; L83-I127 HydrophobicContact CB-CD1 4.03Å; L83-I127 HydrophobicContact CB-CG1 3.89Å; L83-I127 HydrophobicContact CB-CG2 3.89Å; L83-I127 HydrophobicContact CD1-CG2 4.03Å; L83-N130 PolarHBondContact O-ND2 2.87Å; L83-N130 VanDerWaalsContact O-ND2 3.13Å; L83-F415 HydrophobicContact CD2-CE2 4.43Å; L83-F415 HydrophobicContact CD2-CZ 3.79Å
84	L	96.9	Very high	93.5	Very high	39 Å²	39	58.8 Å²	58.8	20%	0.204	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-77.5	-15.2	173.5	-64.3	173.7	0	0	0	113.2	Y79 Q81 K82 P86 T123 K126 I127 N130	Y79-L84 HydrophobicContact CD2-CD1 4.39Å; Y79-L84 HydrophobicContact CE2-CD1 3.68Å; Y79-L84 HydrophobicContact CE2-CG 4.35Å; Q81-L84 HydrophobicContact CG-CD1 4.46Å; Q81-L84 WeakPolarHBondContact O-CB 3.23Å; Q81-L84 PolarHBondContact O-N 3.23Å; K82-L84 PolarHBondContact O-N 3.07Å; L84-P86 WeakPolarHBondContact O-CD 2.95Å; L84-T123 HydrophobicContact CD1-CG2 4.32Å; L84-T123 HydrophobicContact CD2-CG2 3.76Å; L84-K126 HydrophobicContact CD2-CB 4.43Å; L84-K126 HydrophobicContact CD2-CD 4.1Å; L84-K126 HydrophobicContact CD2-CG 4.31Å; L84-I127 HydrophobicContact CD2-CD1 4.27Å; L84-I127 HydrophobicContact CD2-CG1 3.77Å; L84-I127 HydrophobicContact CG-CG1 4.44Å; L84-N130 VanDerWaalsContact C-ND2 3.26Å; L84-N130 PolarHBondContact O-ND2 3.22Å
85	D	95.6	Very high	93.3	Very high	82 Å²	82	60.1 Å²	60.1	44%	0.439	30%	0.299	S	S	.	.	S	Bend	trans	-88.8	116.3	171.9	-178.1	1.4	0	0	0	110.2	K82 L83 H87 T88	K82-D85 PolarHBondContact O-N 2.88Å; L83-D85 VanDerWaalsContact C-N 3.27Å; D85-H87 PolarHBondContact O-N 3.49Å; D85-H87 VanDerWaalsContact O-N 3.12Å; D85-H87 VanDerWaalsContact OD1-CB 3.28Å; D85-H87 WeakPolarHBondContact OD1-CB 3.28Å; D85-H87 PolarHBondContact OD1-N 2.82Å; D85-T88 WeakPolarHBondContact O-CB 3.23Å; D85-T88 PolarHBondContact O-N 2.8Å; D85-T88 PolarHBondContact O-OG1 3.29Å
86	P	95.4	Very high	93.3	Very high	45 Å²	45	56.7 Å²	56.7	29%	0.292	28%	0.282	S	S	.	.	H	α-helix	trans	-54.8	-29.5	174.9	-20	28.2	0	0	0	113.1	L84 T88 F89 K90 Y134	L84-P86 WeakPolarHBondContact O-CD 2.95Å; P86-T88 PolarHBondContact O-N 3.46Å; P86-F89 PolarHBondContact O-N 2.88Å; P86-F89 VanDerWaalsContact O-N 3.14Å; P86-K90 PolarHBondContact O-N 3.4Å; P86-Y134 HydrophobicContact CB-CE2 3.92Å; P86-Y134 WeakPolarHBondContact O-CE2 3.49Å
87	H	93.5	Very high	93.4	Very high	98 Å²	98	52.3 Å²	52.3	45%	0.454	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-31.8	179.1	-173.8	65.6	0	0	0	112.5	D85 F89 K90 V91	D85-H87 PolarHBondContact O-N 3.49Å; D85-H87 VanDerWaalsContact O-N 3.12Å; D85-H87 VanDerWaalsContact OD1-CB 3.28Å; D85-H87 WeakPolarHBondContact OD1-CB 3.28Å; D85-H87 PolarHBondContact OD1-N 2.82Å; H87-F89 VanDerWaalsContact C-N 3.28Å; H87-F89 PolarHBondContact O-N 2.95Å; H87-K90 VanDerWaalsContact O-CB 3.3Å; H87-K90 WeakPolarHBondContact O-CB 3.31Å; H87-K90 PolarHBondContact O-N 2.96Å; H87-K90 VanDerWaalsContact O-N 3.12Å; H87-V91 PolarHBondContact O-N 3.28Å
88	T	92.6	Very high	93.5	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-43.4	175.3	-61.6	0	0	0	0	111.7	K82 L83 D85 P86 V91 L92 F415	K82-T88 HydrophobicContact CD-CG2 4.48Å; K82-T88 HydrophobicContact CG-CG2 3.96Å; K82-T88 WeakPolarHBondContact CG-OG1 3.35Å; K82-T88 WeakPolarHBondContact O-CB 3.23Å; K82-T88 PolarHBondContact O-OG1 2.88Å; L83-T88 HydrophobicContact CD2-CG2 4.1Å; D85-T88 WeakPolarHBondContact O-CB 3.23Å; D85-T88 PolarHBondContact O-N 2.8Å; D85-T88 PolarHBondContact O-OG1 3.29Å; P86-T88 PolarHBondContact O-N 3.46Å; T88-V91 PolarHBondContact O-N 3Å; T88-L92 HydrophobicContact CG2-CD1 4.33Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.41Å; T88-F415 HydrophobicContact CG2-CE1 3.82Å; T88-F415 HydrophobicContact CG2-CZ 4.45Å
89	F	94	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-28.9	179.3	-69.3	-80.1	0	0	0	113.2	L83 P86 H87 V91 L92 R93 I100 I127 N130 A131 Y134 V136	L83-F89 HydrophobicContact CB-CE2 4.29Å; L83-F89 HydrophobicContact CB-CZ 4.24Å; L83-F89 HydrophobicContact CD2-CE1 4.31Å; L83-F89 HydrophobicContact CD2-CE2 4.32Å; L83-F89 HydrophobicContact CD2-CZ 3.88Å; L83-F89 VanDerWaalsContact O-CE2 3.3Å; L83-F89 WeakPolarHBondContact O-CE2 3.13Å; P86-F89 PolarHBondContact O-N 2.88Å; P86-F89 VanDerWaalsContact O-N 3.14Å; H87-F89 VanDerWaalsContact C-N 3.28Å; H87-F89 PolarHBondContact O-N 2.95Å; F89-V91 VanDerWaalsContact C-N 3.34Å; F89-L92 HydrophobicContact CD1-CD1 4.28Å; F89-R93 VanDerWaalsContact O-CB 3.29Å; F89-R93 WeakPolarHBondContact O-CB 3.16Å; F89-R93 PolarHBondContact O-N 3.14Å; F89-I100 HydrophobicContact CD1-CD1 4.19Å; F89-I100 HydrophobicContact CE1-CD1 3.47Å; F89-I100 VanDerWaalsContact CE1-CD1 3.47Å; F89-I100 HydrophobicContact CZ-CD1 4.3Å; F89-I127 HydrophobicContact CZ-CG2 4.1Å; F89-I127 WeakPolarHBondContact CZ-O 3.33Å; F89-N130 HydrophobicContact CD2-CB 3.57Å; F89-N130 HydrophobicContact CE2-CB 3.44Å; F89-N130 VanDerWaalsContact CE2-CB 3.44Å; F89-N130 HydrophobicContact CZ-CB 4.46Å; F89-A131 VanDerWaalsContact CD1-CA 3.47Å; F89-A131 HydrophobicContact CD1-CB 3.71Å; F89-A131 HydrophobicContact CE1-CB 3.31Å; F89-A131 HydrophobicContact CE2-CB 4.43Å; F89-A131 HydrophobicContact CG-CB 4.39Å; F89-A131 HydrophobicContact CZ-CB 3.71Å; F89-Y134 HydrophobicContact CB-CD2 3.53Å; F89-Y134 HydrophobicContact CB-CE2 4.28Å; F89-Y134 HydrophobicContact CB-CG 4.12Å; F89-V136 HydrophobicContact CD1-CB 4.18Å; F89-V136 HydrophobicContact CD1-CG1 4.21Å; F89-V136 HydrophobicContact CD1-CG2 4.28Å; F89-V136 HydrophobicContact CE1-CG1 4.43Å
90	K	93.5	Very high	93.7	Very high	83 Å²	83	46.6 Å²	46.6	36%	0.361	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-49.2	168.8	-169.7	-165.1	168	-159.4	0	110.4	P86 H87 R93 D94 Y134	P86-K90 PolarHBondContact O-N 3.4Å; H87-K90 VanDerWaalsContact O-CB 3.3Å; H87-K90 WeakPolarHBondContact O-CB 3.31Å; H87-K90 PolarHBondContact O-N 2.96Å; H87-K90 VanDerWaalsContact O-N 3.12Å; K90-R93 PolarHBondContact O-N 3.26Å; K90-D94 WeakPolarHBondContact O-CB 3.42Å; K90-D94 PolarHBondContact O-N 2.96Å; K90-Y134 HydrophobicContact CB-CD1 3.91Å; K90-Y134 HydrophobicContact CB-CE1 3.53Å; K90-Y134 HydrophobicContact CB-CE2 4.43Å; K90-Y134 HydrophobicContact CB-CG 4.48Å; K90-Y134 HydrophobicContact CG-CD1 4.18Å; K90-Y134 HydrophobicContact CG-CE1 3.78Å
91	V	90.6	Very high	93.9	Very high	37 Å²	37	46 Å²	46	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-49.4	179.2	175.7	0	0	0	0	110.7	H87 T88 F89 R93 D94 W95 L418	H87-V91 PolarHBondContact O-N 3.28Å; T88-V91 PolarHBondContact O-N 3Å; F89-V91 VanDerWaalsContact C-N 3.34Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 2.75Å; V91-D94 PolarHBondContact O-N 3.12Å; V91-W95 PolarHBondContact O-N 3.02Å; V91-L418 HydrophobicContact CG1-CD1 4.27Å
92	L	91.6	Very high	94.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-56.2	-46.5	177	-71.7	177	0	0	0	111.9	I69 T88 F89 D94 W95 G96 I97 I100 F415 L418	I69-L92 HydrophobicContact CD1-CD1 4.44Å; I69-L92 HydrophobicContact CD1-CD2 3.97Å; T88-L92 HydrophobicContact CG2-CD1 4.33Å; T88-L92 WeakPolarHBondContact O-CG 3.39Å; T88-L92 PolarHBondContact O-N 3.41Å; F89-L92 HydrophobicContact CD1-CD1 4.28Å; L92-D94 PolarHBondContact O-N 3.14Å; L92-W95 CarbonylContact O-C 3.55Å; L92-W95 WeakPolarHBondContact O-CB 3.46Å; L92-W95 PolarHBondContact O-N 3.5Å; L92-W95 VanDerWaalsContact O-N 3.12Å; L92-G96 PolarHBondContact O-N 2.79Å; L92-I97 HydrophobicContact CB-CB 4.02Å; L92-I97 HydrophobicContact CB-CG2 4.19Å; L92-I97 HydrophobicContact CD2-CB 4.4Å; L92-I97 HydrophobicContact CD2-CG1 4.23Å; L92-I97 HydrophobicContact CD2-CG2 4.44Å; L92-I97 WeakPolarHBondContact O-CB 3.46Å; L92-I97 PolarHBondContact O-N 3.27Å; L92-I100 HydrophobicContact CD1-CD1 3.76Å; L92-F415 HydrophobicContact CD1-CE1 3.97Å; L92-F415 HydrophobicContact CD1-CZ 4.13Å; L92-F415 HydrophobicContact CD2-CE1 3.91Å; L92-F415 HydrophobicContact CG-CE1 4.21Å; L92-L418 HydrophobicContact CD2-CD1 4.21Å
93	R	92.9	Very high	94.4	Very high	106 Å²	106	34.8 Å²	34.8	40%	0.4	17%	0.173	S	C	.	.	H	α-helix	trans	-63.3	-42.3	177	179.9	-92.8	-63.1	171.5	8.7	112.6	F89 K90 V91 W95 G96 I97 V136	F89-R93 VanDerWaalsContact O-CB 3.29Å; F89-R93 WeakPolarHBondContact O-CB 3.16Å; F89-R93 PolarHBondContact O-N 3.14Å; K90-R93 PolarHBondContact O-N 3.26Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 2.75Å; R93-W95 PolarHBondContact O-N 2.69Å; R93-G96 PolarHBondContact O-N 3.1Å; R93-I97 WeakPolarHBondContact CA-O 3.46Å; R93-V136 HydrophobicContact CB-CG2 4.37Å
94	D	90.9	Very high	94.6	Very high	87 Å²	87	34.9 Å²	34.9	47%	0.465	17%	0.174	S	C	.	.	H	α-helix	trans	-63	-22.7	177	-70.8	-20.2	0	0	0	111.6	K90 V91 L92 G96	K90-D94 WeakPolarHBondContact O-CB 3.42Å; K90-D94 PolarHBondContact O-N 2.96Å; V91-D94 PolarHBondContact O-N 3.12Å; L92-D94 PolarHBondContact O-N 3.14Å; D94-G96 VanDerWaalsContact C-N 3.33Å
95	W	88.2	Confident	94.7	Very high	86 Å²	86	34 Å²	34	33%	0.326	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	175	-73.3	37.5	0	0	0	113.5	V91 L92 R93 I97 L418 V420 L425	V91-W95 PolarHBondContact O-N 3.02Å; L92-W95 CarbonylContact O-C 3.55Å; L92-W95 WeakPolarHBondContact O-CB 3.46Å; L92-W95 PolarHBondContact O-N 3.5Å; L92-W95 VanDerWaalsContact O-N 3.12Å; R93-W95 PolarHBondContact O-N 2.69Å; W95-I97 VanDerWaalsContact C-N 3.35Å; W95-L418 HydrophobicContact CD2-CD2 4.11Å; W95-L418 HydrophobicContact CE3-CD2 3.37Å; W95-L418 HydrophobicContact CH2-CB 3.75Å; W95-L418 HydrophobicContact CH2-CD2 3.79Å; W95-L418 HydrophobicContact CH2-CG 4.34Å; W95-L418 HydrophobicContact CZ2-CB 4.03Å; W95-L418 HydrophobicContact CZ2-CD2 4.42Å; W95-L418 HydrophobicContact CZ3-CB 4.08Å; W95-L418 HydrophobicContact CZ3-CD2 3.15Å; W95-L418 HydrophobicContact CZ3-CG 4.16Å; W95-V420 HydrophobicContact CZ2-CG2 4.27Å; W95-L425 HydrophobicContact CE3-CD1 4.38Å; W95-L425 HydrophobicContact CH2-CD1 3.16Å; W95-L425 HydrophobicContact CH2-CG 4.42Å; W95-L425 HydrophobicContact CZ2-CD1 4.43Å; W95-L425 HydrophobicContact CZ3-CD1 3.15Å; W95-L425 HydrophobicContact CZ3-CD2 3.82Å; W95-L425 HydrophobicContact CZ3-CG 4.02Å
96	G	92.3	Very high	94.8	Very high	15 Å²	15	30.1 Å²	30.1	16%	0.155	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	9.8	-178.6	0	0	0	0	0	114.2	L92 R93 D94 Y432	L92-G96 PolarHBondContact O-N 2.79Å; R93-G96 PolarHBondContact O-N 3.1Å; D94-G96 VanDerWaalsContact C-N 3.33Å; G96-Y432 WeakPolarHBondContact O-CE1 3.44Å; G96-Y432 PolarHBondContact O-OH 3.06Å
97	I	93.9	Very high	94.9	Very high	23 Å²	23	29.7 Å²	29.7	12%	0.118	15%	0.145	C	C	.	.			trans	-75.1	124.5	169.3	-62	-62.2	0	0	0	108.9	H67 I69 L92 R93 W95 V99	H67-I97 WeakPolarHBondContact O-CA 3.42Å; I69-I97 HydrophobicContact CG2-CD1 4.13Å; L92-I97 HydrophobicContact CB-CB 4.02Å; L92-I97 HydrophobicContact CB-CG2 4.19Å; L92-I97 HydrophobicContact CD2-CB 4.4Å; L92-I97 HydrophobicContact CD2-CG1 4.23Å; L92-I97 HydrophobicContact CD2-CG2 4.44Å; L92-I97 WeakPolarHBondContact O-CB 3.46Å; L92-I97 PolarHBondContact O-N 3.27Å; R93-I97 WeakPolarHBondContact CA-O 3.46Å; W95-I97 VanDerWaalsContact C-N 3.35Å; I97-V99 WeakPolarHBondContact CG2-O 3.22Å
98	N	97	Very high	95.1	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	13%	0.126	C	C	.	.			trans	-125.4	2.5	-178.2	69.8	2	0	0	0	113.9	L65 F66 H67 Y137 Y432	L65-N98 PolarHBondContact O-ND2 2.98Å; F66-N98 WeakPolarHBondContact CA-OD1 3.48Å; H67-N98 PolarHBondContact N-OD1 2.92Å; H67-N98 PolarHBondContact O-N 3.34Å; H67-N98 PolarHBondContact O-OD1 2.86Å; N98-Y137 PolarHBondContact O-N 2.91Å; N98-Y432 PolarHBondContact ND2-OH 3.05Å
99	V	98.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.5	173.9	68.7	0	0	0	0	111	F66 G68 I97 Y137 I139 L232 F371 T407	F66-V99 HydrophobicContact CB-CB 4.15Å; F66-V99 HydrophobicContact CB-CG1 3.81Å; F66-V99 HydrophobicContact CD1-CB 4.23Å; G68-V99 WeakPolarHBondContact CA-O 3.27Å; I97-V99 WeakPolarHBondContact CG2-O 3.22Å; V99-Y137 CarbonylContact C-O 3.59Å; V99-Y137 VanDerWaalsContact CA-O 3.26Å; V99-Y137 WeakPolarHBondContact CA-O 3.34Å; V99-I139 HydrophobicContact CG2-CD1 4.06Å; V99-I139 HydrophobicContact CG2-CG1 4.05Å; V99-L232 HydrophobicContact CG2-CD2 4.05Å; V99-F371 HydrophobicContact CG1-CZ 4.01Å; V99-T407 HydrophobicContact CG1-CG2 3.85Å
100	I	97.5	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.7	168.3	-64.4	-174.9	0	0	0	108.7	I69 C71 L83 F89 L92 L102 V136 Y137 I138 I139	I69-I100 HydrophobicContact CG1-CG1 4.31Å; I69-I100 WeakPolarHBondContact O-CA 3.06Å; C71-I100 HydrophobicContact CB-CG2 3.52Å; C71-I100 VanDerWaalsContact SG-CG2 3.52Å; L83-I100 HydrophobicContact CD2-CD1 4.19Å; F89-I100 HydrophobicContact CD1-CD1 4.19Å; F89-I100 HydrophobicContact CE1-CD1 3.47Å; F89-I100 VanDerWaalsContact CE1-CD1 3.47Å; F89-I100 HydrophobicContact CZ-CD1 4.3Å; L92-I100 HydrophobicContact CD1-CD1 3.76Å; I100-L102 HydrophobicContact CG2-CB 4.26Å; I100-V136 HydrophobicContact CD1-CG1 4.37Å; I100-V136 HydrophobicContact CG1-CG1 3.99Å; I100-Y137 PolarHBondContact N-O 3.11Å; I100-I138 HydrophobicContact CB-CD1 3.94Å; I100-I138 CarbonylContact O-C 3.54Å; I100-I138 WeakPolarHBondContact O-CA 3.49Å; I100-I139 PolarHBondContact O-N 2.95Å
101	R	98.2	Very high	95.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	101.7	165.4	-179.7	168.8	179.3	-101.4	8.4	108.4	I69 N70 C71 I139 D141 E235 N238 E284 H324 T373 E374 T407	I69-R101 PolarHBondContact O-N 3.27Å; N70-R101 CarbonylContact C-O 3.44Å; N70-R101 WeakPolarHBondContact OD1-CD 3.5Å; N70-R101 WeakPolarHBondContact OD1-CG 3.23Å; N70-R101 PolarHBondContact OD1-NH1 3.34Å; C71-R101 PolarHBondContact N-O 2.96Å; R101-I139 HydrophobicContact CB-CB 4.49Å; R101-D141 HydrophobicContact CG-CB 4.1Å; R101-D141 IonicContact CZ-OD2 3.62Å; R101-D141 IonicContact NH1-OD2 3.4Å; R101-D141 IonicContact NH2-OD1 3.98Å; R101-D141 IonicContact NH2-OD2 2.56Å; R101-E235 WeakPolarHBondContact CD-OE2 3.44Å; R101-E235 IonicContact CZ-OE1 3.85Å; R101-E235 IonicContact CZ-OE2 3.71Å; R101-E235 VanDerWaalsContact CZ-OE2 3.31Å; R101-E235 VanDerWaalsContact NE-CD 3.32Å; R101-E235 IonicContact NE-OE1 2.78Å; R101-E235 PolarHBondContact NE-OE1 2.61Å; R101-E235 IonicContact NE-OE2 3.06Å; R101-E235 PolarHBondContact NE-OE2 2.85Å; R101-E235 IonicContact NH2-OE1 3.31Å; R101-E235 PolarHBondContact NH2-OE1 3.02Å; R101-E235 IonicContact NH2-OE2 3.14Å; R101-E235 PolarHBondContact NH2-OE2 2.88Å; R101-N238 PolarHBondContact NH1-OD1 2.89Å; R101-N238 PolarHBondContact NH2-OD1 3.32Å; R101-E284 IonicContact NH2-OE1 2.62Å; R101-H324 PolarHBondContact NH2-NE2 3Å; R101-T373 WeakPolarHBondContact CD-O 3.42Å; R101-E374 IonicContact NH1-OE2 3.81Å; R101-E374 PolarHBondContact NH1-OE2 2.96Å; R101-T407 HydrophobicContact CB-CG2 4.09Å
102	L	98.1	Very high	96.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.9	-169.7	178.5	67	0	0	0	110.1	C71 L83 I100 F104 I124 I127 I128 I138 I139 D141	C71-L102 HydrophobicContact CB-CD1 4.25Å; L83-L102 HydrophobicContact CD1-CD1 4.18Å; I100-L102 HydrophobicContact CG2-CB 4.26Å; L102-F104 PolarHBondContact O-N 2.8Å; L102-I124 HydrophobicContact CD2-CG2 4.22Å; L102-I127 HydrophobicContact CD1-CG2 4.37Å; L102-I127 HydrophobicContact CD2-CG2 3.96Å; L102-I128 HydrophobicContact CD2-CG1 4.3Å; L102-I138 HydrophobicContact CB-CG2 3.85Å; L102-I138 HydrophobicContact CD2-CG2 4.05Å; L102-I139 PolarHBondContact N-O 2.69Å; L102-D141 PolarHBondContact O-N 3.3Å
103	G	97.5	Very high	96.3	Very high	8 Å²	8	30 Å²	30	8%	0.082	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.9	174.3	0	0	0	0	0	111.6	C71	C71-G103 PolarHBondContact O-N 3.03Å
104	F	98.3	Very high	96.5	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	17%	0.172	C	C	.	.			trans	-112.3	96.8	173.2	-174	-136.4	0	0	0	110.2	L102 W106 L109 Y120 I121 I124 I140 D141 Y217 T221 F225	L102-F104 PolarHBondContact O-N 2.8Å; F104-W106 PolarHBondContact O-N 3Å; F104-L109 HydrophobicContact CE1-CD1 4.29Å; F104-L109 HydrophobicContact CE1-CD2 3.85Å; F104-L109 HydrophobicContact CE2-CD1 4.31Å; F104-L109 HydrophobicContact CZ-CD1 3.61Å; F104-L109 HydrophobicContact CZ-CD2 4.02Å; F104-L109 HydrophobicContact CZ-CG 4.26Å; F104-Y120 HydrophobicContact CD2-CD1 4.48Å; F104-Y120 AromaticContact CD2-CE1 3.51Å; F104-Y120 HydrophobicContact CD2-CE1 3.51Å; F104-Y120 AromaticContact CD2-CZ 3.96Å; F104-Y120 AromaticContact CE2-CD1 3.89Å; F104-Y120 HydrophobicContact CE2-CD1 3.89Å; F104-Y120 AromaticContact CE2-CE1 3.33Å; F104-Y120 HydrophobicContact CE2-CE1 3.33Å; F104-Y120 HydrophobicContact CZ-CE1 4.39Å; F104-I121 HydrophobicContact CZ-CG1 4.39Å; F104-I124 HydrophobicContact CD2-CB 4.42Å; F104-I124 HydrophobicContact CD2-CG1 3.93Å; F104-I124 HydrophobicContact CD2-CG2 4.08Å; F104-I124 HydrophobicContact CE2-CB 4.3Å; F104-I124 HydrophobicContact CE2-CG1 3.99Å; F104-I124 HydrophobicContact CE2-CG2 4.24Å; F104-I140 HydrophobicContact CB-CG2 3.58Å; F104-I140 HydrophobicContact CD1-CG2 4.15Å; F104-I140 HydrophobicContact CG-CG2 4.18Å; F104-D141 PolarHBondContact N-O 3.3Å; F104-Y217 WeakPolarHBondContact CB-OH 3.48Å; F104-Y217 HydrophobicContact CD1-CE1 4.49Å; F104-Y217 HydrophobicContact CD1-CE2 4.03Å; F104-Y217 AromaticContact CD1-CZ 3.71Å; F104-Y217 WeakPolarHBondContact CD1-OH 3.48Å; F104-Y217 HydrophobicContact CE1-CE2 4.42Å; F104-Y217 PolarHBondContact O-OH 2.97Å; F104-T221 HydrophobicContact CD1-CG2 4.13Å; F104-T221 HydrophobicContact CE1-CG2 4.19Å; F104-T221 VanDerWaalsContact CE1-OG1 3.25Å; F104-T221 WeakPolarHBondContact CE1-OG1 3.47Å; F104-F225 HydrophobicContact CD1-CE2 4.46Å; F104-F225 AromaticContact CE1-CE2 3.95Å; F104-F225 HydrophobicContact CE1-CE2 3.95Å; F104-F225 HydrophobicContact CE2-CE2 4.17Å; F104-F225 HydrophobicContact CE2-CZ 4.37Å; F104-F225 AromaticContact CZ-CE2 3.78Å; F104-F225 HydrophobicContact CZ-CE2 3.78Å; F104-F225 HydrophobicContact CZ-CZ 4.24Å
105	S	98	Very high	96.9	Very high	20 Å²	20	32.9 Å²	32.9	14%	0.14	17%	0.17	C	C	.	.			trans	-68.4	121.2	-168.9	170.7	0	0	0	0	112.2	F78 I107 A108 L109 Y120	F78-S105 WeakPolarHBondContact CD1-OG 3.39Å; S105-I107 WeakPolarHBondContact OG-CG2 3.35Å; S105-A108 PolarHBondContact O-N 3.4Å; S105-A108 PolarHBondContact OG-N 3.22Å; S105-L109 WeakPolarHBondContact O-CB 3.4Å; S105-L109 PolarHBondContact O-N 2.68Å; S105-Y120 WeakPolarHBondContact CB-OH 3.4Å; S105-Y120 PolarHBondContact N-OH 2.9Å
106	W	98.4	Very high	97.4	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-37.7	177.4	-168.3	1.3	0	0	0	111.6	F104 A108 L109 K110 F142 A156 V157 P158 W160 F161 Y213 F214 Y217	F104-W106 PolarHBondContact O-N 3Å; W106-A108 VanDerWaalsContact C-N 3.3Å; W106-A108 PolarHBondContact O-N 2.8Å; W106-L109 PolarHBondContact O-N 3.45Å; W106-K110 PolarHBondContact O-N 3.28Å; W106-F142 HydrophobicContact CB-CE2 3.87Å; W106-F142 HydrophobicContact CD2-CE2 4.12Å; W106-F142 HydrophobicContact CE3-CD2 4.42Å; W106-F142 AromaticContact CE3-CE2 3.37Å; W106-F142 HydrophobicContact CE3-CE2 3.37Å; W106-F142 AromaticContact CE3-CZ 3.64Å; W106-F142 HydrophobicContact CE3-CZ 3.64Å; W106-F142 HydrophobicContact CG-CE2 4.38Å; W106-F142 HydrophobicContact CZ3-CE2 4.18Å; W106-F142 HydrophobicContact CZ3-CZ 4.12Å; W106-A156 WeakPolarHBondContact CB-O 3.35Å; W106-V157 HydrophobicContact CE3-CB 4.09Å; W106-V157 HydrophobicContact CE3-CG1 3.6Å; W106-V157 HydrophobicContact CZ3-CG1 3.99Å; W106-P158 HydrophobicContact CG-CG 4.15Å; W106-W160 HydrophobicContact CZ2-CH2 4.41Å; W106-F161 AromaticContact CH2-CD2 3.76Å; W106-F161 HydrophobicContact CH2-CD2 3.76Å; W106-F161 AromaticContact CH2-CE2 3.71Å; W106-F161 HydrophobicContact CH2-CE2 3.71Å; W106-F161 HydrophobicContact CH2-CG 4.3Å; W106-F161 HydrophobicContact CH2-CZ 4.21Å; W106-F161 HydrophobicContact CZ2-CD2 4.17Å; W106-F161 HydrophobicContact CZ3-CD2 4.37Å; W106-F161 HydrophobicContact CZ3-CE1 4.48Å; W106-F161 HydrophobicContact CZ3-CE2 4.24Å; W106-F161 HydrophobicContact CZ3-CZ 4.3Å; W106-Y213 VanDerWaalsContact CZ2-O 3.3Å; W106-Y213 WeakPolarHBondContact CZ2-O 3.22Å; W106-F214 HydrophobicContact CH2-CB 4.48Å; W106-F214 HydrophobicContact CH2-CD1 4.16Å; W106-F214 AromaticContact CH2-CD2 3.88Å; W106-F214 HydrophobicContact CH2-CD2 3.88Å; W106-F214 HydrophobicContact CH2-CE1 4.4Å; W106-F214 HydrophobicContact CH2-CE2 4.13Å; W106-F214 AromaticContact CH2-CG 3.9Å; W106-F214 HydrophobicContact CH2-CG 3.9Å; W106-F214 HydrophobicContact CH2-CZ 4.39Å; W106-F214 AromaticContact CZ3-CD1 3.85Å; W106-F214 HydrophobicContact CZ3-CD1 3.85Å; W106-F214 HydrophobicContact CZ3-CD2 4.05Å; W106-F214 AromaticContact CZ3-CE1 3.7Å; W106-F214 HydrophobicContact CZ3-CE1 3.7Å; W106-F214 AromaticContact CZ3-CE2 3.89Å; W106-F214 HydrophobicContact CZ3-CE2 3.89Å; W106-F214 HydrophobicContact CZ3-CG 4.03Å; W106-F214 AromaticContact CZ3-CZ 3.72Å; W106-F214 HydrophobicContact CZ3-CZ 3.72Å; W106-Y217 HydrophobicContact CB-CD2 3.82Å; W106-Y217 HydrophobicContact CB-CE2 3.8Å; W106-Y217 AromaticContact CD1-CD2 3.66Å; W106-Y217 HydrophobicContact CD2-CD2 4Å; W106-Y217 HydrophobicContact CD2-CG 4.46Å; W106-Y217 AromaticContact CG-CD2 3.58Å; W106-Y217 HydrophobicContact CG-CD2 3.58Å; W106-Y217 HydrophobicContact CG-CE2 4.1Å; W106-Y217 HydrophobicContact CG-CG 4.47Å
107	I	97.2	Very high	97.7	Very high	35 Å²	35	32.8 Å²	32.8	18%	0.179	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-36.1	174.8	-172	168.3	0	0	0	112.6	F78 S105 P111 D155	F78-I107 HydrophobicContact CD1-CG2 4.3Å; F78-I107 HydrophobicContact CE1-CG2 3.69Å; F78-I107 HydrophobicContact CE2-CG2 4.27Å; F78-I107 HydrophobicContact CZ-CG2 3.67Å; S105-I107 WeakPolarHBondContact OG-CG2 3.35Å; I107-P111 WeakPolarHBondContact O-CA 3.35Å; I107-D155 HydrophobicContact CD1-CB 3.98Å
108	A	97.8	Very high	97.9	Very high	8 Å²	8	36.7 Å²	36.7	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-72.9	-37.8	175	0	0	0	0	0	112.2	F78 S105 W106 N117 Y120	F78-A108 HydrophobicContact CB-CB 3.87Å; F78-A108 HydrophobicContact CD2-CB 3.62Å; F78-A108 HydrophobicContact CE2-CB 4.38Å; F78-A108 HydrophobicContact CG-CB 3.91Å; S105-A108 PolarHBondContact O-N 3.4Å; S105-A108 PolarHBondContact OG-N 3.22Å; W106-A108 VanDerWaalsContact C-N 3.3Å; W106-A108 PolarHBondContact O-N 2.8Å; A108-N117 WeakPolarHBondContact O-CB 3.32Å; A108-N117 PolarHBondContact O-ND2 3.05Å; A108-Y120 HydrophobicContact CB-CD1 3.73Å; A108-Y120 HydrophobicContact CB-CD2 3.72Å; A108-Y120 HydrophobicContact CB-CE1 3.62Å; A108-Y120 HydrophobicContact CB-CE2 3.64Å; A108-Y120 HydrophobicContact CB-CG 3.78Å
109	L	98.6	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-45.3	178.2	-178	62.8	0	0	0	112.9	F104 S105 W106 T116 N117 Y120 I121 Y217 I220	F104-L109 HydrophobicContact CE1-CD1 4.29Å; F104-L109 HydrophobicContact CE1-CD2 3.85Å; F104-L109 HydrophobicContact CE2-CD1 4.31Å; F104-L109 HydrophobicContact CZ-CD1 3.61Å; F104-L109 HydrophobicContact CZ-CD2 4.02Å; F104-L109 HydrophobicContact CZ-CG 4.26Å; S105-L109 WeakPolarHBondContact O-CB 3.4Å; S105-L109 PolarHBondContact O-N 2.68Å; W106-L109 PolarHBondContact O-N 3.45Å; L109-T116 HydrophobicContact CD1-CG2 4.36Å; L109-N117 PolarHBondContact O-N 3.13Å; L109-Y120 HydrophobicContact CB-CD1 4.32Å; L109-Y120 HydrophobicContact CB-CE1 4.4Å; L109-I121 HydrophobicContact CD1-CD1 3.51Å; L109-I121 HydrophobicContact CD1-CG1 3.39Å; L109-Y217 HydrophobicContact CD2-CD2 3.53Å; L109-Y217 HydrophobicContact CD2-CE2 3.88Å; L109-Y217 HydrophobicContact CD2-CG 4.33Å; L109-I220 HydrophobicContact CD1-CG2 3.9Å; L109-I220 HydrophobicContact CD2-CB 4.47Å; L109-I220 HydrophobicContact CD2-CD1 4.46Å; L109-I220 HydrophobicContact CD2-CG2 4.37Å
110	K	98	Very high	98	Very high	2 Å²	2	44 Å²	44	1%	0.009	23%	0.228	C	C	.	.			trans	-128.8	70.4	-173.2	-72.1	-79.3	-135.2	153	0	110.3	W106 H112 E113 E115 P158 W160 E216 I220	W106-K110 PolarHBondContact O-N 3.28Å; K110-H112 PolarHBondContact O-N 2.77Å; K110-E113 PolarHBondContact NZ-O 2.88Å; K110-E115 WeakPolarHBondContact CD-O 3.47Å; K110-P158 HydrophobicContact CB-CG 4.22Å; K110-P158 WeakPolarHBondContact O-CB 3.43Å; K110-P158 WeakPolarHBondContact O-CG 3.32Å; K110-W160 HydrophobicContact CB-CZ2 3.79Å; K110-W160 HydrophobicContact CG-CZ2 4.39Å; K110-W160 PolarHBondContact O-NE1 3.49Å; K110-E216 WeakPolarHBondContact CE-OE1 3.46Å; K110-E216 VanDerWaalsContact CE-OE2 3.23Å; K110-E216 WeakPolarHBondContact CE-OE2 3.24Å; K110-E216 IonicContact NZ-OE1 3.29Å; K110-E216 PolarHBondContact NZ-OE1 2.88Å; K110-E216 IonicContact NZ-OE2 2.76Å; K110-E216 PolarHBondContact NZ-OE2 2.89Å; K110-I220 HydrophobicContact CD-CD1 4.4Å
111	P	97.3	Very high	98	Very high	44 Å²	44	44.1 Å²	44.1	29%	0.286	23%	0.229	S	C	.	.	S	Bend	trans	-59.1	-33.8	179.2	24.3	-33.7	0	0	0	111.8	I107 E115 N117	I107-P111 WeakPolarHBondContact O-CA 3.35Å; P111-E115 HydrophobicContact CG-CG 4.28Å; P111-N117 HydrophobicContact CG-CB 4.48Å
112	H	97.8	Very high	98.1	Very high	121 Å²	121	48 Å²	48	56%	0.56	25%	0.25	S	C	*	.	S	Bend	trans	-127.8	155.3	171.9	-61.8	-68.7	0	0	0	110.8	K110 N114 E115 W160	K110-H112 PolarHBondContact O-N 2.77Å; H112-N114 VanDerWaalsContact C-N 3.31Å; H112-N114 PolarHBondContact O-N 3.03Å; H112-E115 HydrophobicContact CB-CB 3.92Å; H112-E115 IonicContact CD2-OE2 3.09Å; H112-E115 PolarHBondContact CD2-OE2 3.33Å; H112-E115 VanDerWaalsContact CD2-OE2 3.29Å; H112-E115 PolarHBondContact O-N 2.96Å; H112-E115 VanDerWaalsContact O-O 3.05Å; H112-W160 VanDerWaalsContact C-NE1 3.3Å
113	E	97.1	Very high	98.1	Very high	59 Å²	59	49 Å²	49	28%	0.276	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-45.5	-174.5	-177.3	172.5	-169.8	0	0	112.5	K110 W160 K164	K110-E113 PolarHBondContact NZ-O 2.88Å; E113-W160 HydrophobicContact CB-CD2 3.73Å; E113-W160 HydrophobicContact CB-CE3 3.81Å; E113-W160 HydrophobicContact CB-CG 4.06Å; E113-W160 HydrophobicContact CB-CZ3 4.4Å; E113-W160 HydrophobicContact CG-CD2 4.33Å; E113-W160 HydrophobicContact CG-CE3 3.89Å; E113-W160 HydrophobicContact CG-CZ3 4.11Å; E113-K164 WeakPolarHBondContact OE1-CE 3.42Å; E113-K164 IonicContact OE1-NZ 2.85Å; E113-K164 PolarHBondContact OE1-NZ 2.97Å; E113-K164 WeakPolarHBondContact OE2-CE 3.25Å; E113-K164 IonicContact OE2-NZ 3.8Å; E113-K164 PolarHBondContact OE2-NZ 3.43Å
114	N	97.1	Very high	98.1	Very high	162 Å²	162	48.7 Å²	48.7	87%	0.866	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	12.2	-178.1	-62.6	-36.2	0	0	0	113.5	H112	H112-N114 VanDerWaalsContact C-N 3.31Å; H112-N114 PolarHBondContact O-N 3.03Å
115	E	97.9	Very high	98.2	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	26%	0.262	S	S	.	.			trans	-118.7	133	-179.1	-171.5	179.2	146.4	0	0	110.5	K110 P111 H112	K110-E115 WeakPolarHBondContact CD-O 3.47Å; P111-E115 HydrophobicContact CG-CG 4.28Å; H112-E115 HydrophobicContact CB-CB 3.92Å; H112-E115 IonicContact CD2-OE2 3.09Å; H112-E115 PolarHBondContact CD2-OE2 3.33Å; H112-E115 VanDerWaalsContact CD2-OE2 3.29Å; H112-E115 PolarHBondContact O-N 2.96Å; H112-E115 VanDerWaalsContact O-O 3.05Å
116	T	98.5	Very high	98.2	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	28%	0.279	S	S	.	.			trans	-116.3	119.4	169.9	-58.7	0	0	0	0	108.2	L109 L118 I121 I220	L109-T116 HydrophobicContact CD1-CG2 4.36Å; T116-L118 HydrophobicContact CG2-CD2 4.29Å; T116-L118 PolarHBondContact O-N 3.08Å; T116-I121 HydrophobicContact CG2-CD1 3.64Å; T116-I220 HydrophobicContact CG2-CD1 4.12Å; T116-I220 HydrophobicContact CG2-CG2 4.31Å
117	N	98.6	Very high	98.2	Very high	50 Å²	50	55.1 Å²	55.1	27%	0.267	28%	0.279	S	S	.	.			trans	-77.8	92.1	-178.8	-174.9	-14.5	0	0	0	110.4	A108 L109 P111 E119 Y120 I121	A108-N117 WeakPolarHBondContact O-CB 3.32Å; A108-N117 PolarHBondContact O-ND2 3.05Å; L109-N117 PolarHBondContact O-N 3.13Å; P111-N117 HydrophobicContact CG-CB 4.48Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 2.89Å; N117-E119 PolarHBondContact OD1-N 2.82Å; N117-Y120 PolarHBondContact O-N 3.27Å; N117-Y120 PolarHBondContact OD1-N 2.84Å; N117-I121 WeakPolarHBondContact O-CG1 3.38Å; N117-I121 PolarHBondContact O-N 2.76Å
118	L	98.4	Very high	98.3	Very high	104 Å²	104	53.4 Å²	53.4	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-33.2	-179.5	-61.8	-179.4	0	0	0	112.7	T116 Y120 I121 D122	T116-L118 HydrophobicContact CG2-CD2 4.29Å; T116-L118 PolarHBondContact O-N 3.08Å; L118-Y120 PolarHBondContact O-N 3.43Å; L118-I121 HydrophobicContact CD2-CD1 4.2Å; L118-I121 PolarHBondContact O-N 2.78Å; L118-D122 PolarHBondContact O-N 2.92Å
119	E	98.5	Very high	98.3	Very high	153 Å²	153	56.3 Å²	56.3	72%	0.715	28%	0.284	S	S	*	.	H	α-helix	trans	-64.7	-39.9	178.3	-176.4	179.2	-178.1	0	0	111.7	N117 D122 T123	N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 2.89Å; N117-E119 PolarHBondContact OD1-N 2.82Å; E119-D122 PolarHBondContact O-N 3.23Å; E119-T123 WeakPolarHBondContact O-CB 3.45Å; E119-T123 PolarHBondContact O-N 2.84Å; E119-T123 PolarHBondContact O-OG1 3.25Å
120	Y	98.7	Very high	98.3	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-45.4	172.8	177.1	-112.4	0	0	0	111.3	F78 Y79 F104 S105 A108 L109 N117 L118 D122 T123 I124	F78-Y120 HydrophobicContact CB-CE2 4.1Å; F78-Y120 PolarHBondContact O-OH 2.77Å; Y79-Y120 HydrophobicContact CD1-CD2 4.32Å; Y79-Y120 HydrophobicContact CD1-CE2 4.16Å; F104-Y120 HydrophobicContact CD2-CD1 4.48Å; F104-Y120 AromaticContact CD2-CE1 3.51Å; F104-Y120 HydrophobicContact CD2-CE1 3.51Å; F104-Y120 AromaticContact CD2-CZ 3.96Å; F104-Y120 AromaticContact CE2-CD1 3.89Å; F104-Y120 HydrophobicContact CE2-CD1 3.89Å; F104-Y120 AromaticContact CE2-CE1 3.33Å; F104-Y120 HydrophobicContact CE2-CE1 3.33Å; F104-Y120 HydrophobicContact CZ-CE1 4.39Å; S105-Y120 WeakPolarHBondContact CB-OH 3.4Å; S105-Y120 PolarHBondContact N-OH 2.9Å; A108-Y120 HydrophobicContact CB-CD1 3.73Å; A108-Y120 HydrophobicContact CB-CD2 3.72Å; A108-Y120 HydrophobicContact CB-CE1 3.62Å; A108-Y120 HydrophobicContact CB-CE2 3.64Å; A108-Y120 HydrophobicContact CB-CG 3.78Å; L109-Y120 HydrophobicContact CB-CD1 4.32Å; L109-Y120 HydrophobicContact CB-CE1 4.4Å; N117-Y120 PolarHBondContact O-N 3.27Å; N117-Y120 PolarHBondContact OD1-N 2.84Å; L118-Y120 PolarHBondContact O-N 3.43Å; Y120-D122 PolarHBondContact O-N 3.16Å; Y120-T123 WeakPolarHBondContact O-CB 3.34Å; Y120-T123 PolarHBondContact O-N 3.47Å; Y120-I124 HydrophobicContact CD1-CG1 4.48Å; Y120-I124 HydrophobicContact CD2-CG1 4.31Å; Y120-I124 HydrophobicContact CE1-CG1 4.06Å; Y120-I124 HydrophobicContact CE2-CD1 3.91Å; Y120-I124 HydrophobicContact CE2-CG1 3.84Å; Y120-I124 WeakPolarHBondContact O-CG1 3.42Å; Y120-I124 PolarHBondContact O-N 3.39Å
121	I	98.8	Very high	98.3	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-46.1	177.9	-60.1	171.9	0	0	0	110.9	F104 L109 T116 N117 L118 T123 I124 E125 I220 R224 F225	F104-I121 HydrophobicContact CZ-CG1 4.39Å; L109-I121 HydrophobicContact CD1-CD1 3.51Å; L109-I121 HydrophobicContact CD1-CG1 3.39Å; T116-I121 HydrophobicContact CG2-CD1 3.64Å; N117-I121 WeakPolarHBondContact O-CG1 3.38Å; N117-I121 PolarHBondContact O-N 2.76Å; L118-I121 HydrophobicContact CD2-CD1 4.2Å; L118-I121 PolarHBondContact O-N 2.78Å; I121-T123 PolarHBondContact O-N 2.83Å; I121-I124 PolarHBondContact O-N 2.99Å; I121-E125 WeakPolarHBondContact O-CB 3.47Å; I121-E125 PolarHBondContact O-N 3.38Å; I121-I220 HydrophobicContact CD1-CG2 3.62Å; I121-R224 HydrophobicContact CG2-CB 4.12Å; I121-R224 HydrophobicContact CG2-CG 3.56Å; I121-F225 HydrophobicContact CG2-CE1 4.27Å; I121-F225 HydrophobicContact CG2-CZ 3.89Å
122	D	98.8	Very high	98.3	Very high	82 Å²	82	54.9 Å²	54.9	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-36.9	177.9	-66.4	-7.4	0	0	0	111.3	L118 E119 Y120 E125 K126 R224	L118-D122 PolarHBondContact O-N 2.92Å; E119-D122 PolarHBondContact O-N 3.23Å; Y120-D122 PolarHBondContact O-N 3.16Å; D122-E125 PolarHBondContact O-N 3.08Å; D122-K126 PolarHBondContact O-N 3.47Å; D122-R224 IonicContact OD1-CZ 2.83Å; D122-R224 VanDerWaalsContact OD1-CZ 3.31Å; D122-R224 IonicContact OD1-NH1 2.62Å; D122-R224 PolarHBondContact OD1-NH1 3.32Å; D122-R224 IonicContact OD1-NH2 2.72Å; D122-R224 PolarHBondContact OD1-NH2 3.23Å
123	T	98.7	Very high	98.3	Very high	25 Å²	25	55 Å²	55	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-45	177.1	-59.4	0	0	0	0	111.9	Y79 L84 E119 Y120 I121 E125 K126 I127	Y79-T123 HydrophobicContact CD1-CG2 3.86Å; Y79-T123 HydrophobicContact CD2-CG2 4.07Å; Y79-T123 HydrophobicContact CE1-CG2 3.6Å; Y79-T123 HydrophobicContact CE2-CG2 3.84Å; Y79-T123 HydrophobicContact CG-CG2 4.1Å; L84-T123 HydrophobicContact CD1-CG2 4.32Å; L84-T123 HydrophobicContact CD2-CG2 3.76Å; E119-T123 WeakPolarHBondContact O-CB 3.45Å; E119-T123 PolarHBondContact O-N 2.84Å; E119-T123 PolarHBondContact O-OG1 3.25Å; Y120-T123 WeakPolarHBondContact O-CB 3.34Å; Y120-T123 PolarHBondContact O-N 3.47Å; I121-T123 PolarHBondContact O-N 2.83Å; T123-E125 VanDerWaalsContact C-N 3.33Å; T123-K126 PolarHBondContact O-N 2.95Å; T123-I127 PolarHBondContact O-N 2.66Å; T123-I127 VanDerWaalsContact O-N 3.15Å
124	I	98.8	Very high	98.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-39.5	174.9	-64.5	-61.6	0	0	0	110.8	L102 F104 Y120 I121 K126 I127 I128 F225	L102-I124 HydrophobicContact CD2-CG2 4.22Å; F104-I124 HydrophobicContact CD2-CB 4.42Å; F104-I124 HydrophobicContact CD2-CG1 3.93Å; F104-I124 HydrophobicContact CD2-CG2 4.08Å; F104-I124 HydrophobicContact CE2-CB 4.3Å; F104-I124 HydrophobicContact CE2-CG1 3.99Å; F104-I124 HydrophobicContact CE2-CG2 4.24Å; Y120-I124 HydrophobicContact CD1-CG1 4.48Å; Y120-I124 HydrophobicContact CD2-CG1 4.31Å; Y120-I124 HydrophobicContact CE1-CG1 4.06Å; Y120-I124 HydrophobicContact CE2-CD1 3.91Å; Y120-I124 HydrophobicContact CE2-CG1 3.84Å; Y120-I124 WeakPolarHBondContact O-CG1 3.42Å; Y120-I124 PolarHBondContact O-N 3.39Å; I121-I124 PolarHBondContact O-N 2.99Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 2.82Å; I124-I127 HydrophobicContact CD1-CD1 4.37Å; I124-I127 WeakPolarHBondContact O-CB 3.3Å; I124-I127 PolarHBondContact O-N 3.44Å; I124-I127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.97Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.41Å; I124-I128 PolarHBondContact O-N 2.95Å; I124-F225 HydrophobicContact CB-CZ 4.16Å; I124-F225 HydrophobicContact CG2-CE1 4.3Å; I124-F225 HydrophobicContact CG2-CE2 4.18Å; I124-F225 HydrophobicContact CG2-CZ 3.69Å
125	E	98.8	Very high	98.1	Very high	46 Å²	46	49.1 Å²	49.1	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-44.9	175	-168.4	170.5	-169.3	0	0	111.7	I121 D122 T123 I127 I128 D129 R224 F225 K228	I121-E125 WeakPolarHBondContact O-CB 3.47Å; I121-E125 PolarHBondContact O-N 3.38Å; D122-E125 PolarHBondContact O-N 3.08Å; T123-E125 VanDerWaalsContact C-N 3.33Å; E125-I127 VanDerWaalsContact C-N 3.3Å; E125-I127 PolarHBondContact O-N 3.15Å; E125-I128 PolarHBondContact O-N 3.34Å; E125-I128 VanDerWaalsContact O-N 3.15Å; E125-D129 PolarHBondContact O-N 3.41Å; E125-R224 WeakPolarHBondContact OE2-CD 3.35Å; E125-R224 IonicContact OE2-CZ 3Å; E125-R224 IonicContact OE2-NH1 2.66Å; E125-R224 PolarHBondContact OE2-NH1 2.6Å; E125-F225 HydrophobicContact CB-CE1 3.9Å; E125-F225 HydrophobicContact CG-CE1 4.34Å; E125-K228 WeakPolarHBondContact OE1-CE 3.43Å; E125-K228 IonicContact OE1-NZ 2.6Å; E125-K228 PolarHBondContact OE1-NZ 3.18Å
126	K	98.7	Very high	98.1	Very high	112 Å²	112	44.8 Å²	44.8	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-38.4	176	-176.2	174.7	177.5	-179.1	0	112.4	L84 D122 T123 I124 D129 N130	L84-K126 HydrophobicContact CD2-CB 4.43Å; L84-K126 HydrophobicContact CD2-CD 4.1Å; L84-K126 HydrophobicContact CD2-CG 4.31Å; D122-K126 PolarHBondContact O-N 3.47Å; T123-K126 PolarHBondContact O-N 2.95Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 2.82Å; K126-D129 PolarHBondContact O-N 3.34Å; K126-N130 WeakPolarHBondContact O-CB 3.38Å; K126-N130 PolarHBondContact O-N 2.76Å; K126-N130 PolarHBondContact O-ND2 3.34Å; K126-N130 PolarHBondContact O-OD1 2.85Å
127	I	98.6	Very high	98.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-46.5	173.9	-70.4	172	0	0	0	110.5	Y79 L83 L84 F89 L102 T123 I124 E125 D129 N130 A131	Y79-I127 HydrophobicContact CD2-CD1 4.21Å; Y79-I127 HydrophobicContact CG-CD1 4.27Å; L83-I127 HydrophobicContact CB-CB 4.48Å; L83-I127 HydrophobicContact CB-CD1 4.03Å; L83-I127 HydrophobicContact CB-CG1 3.89Å; L83-I127 HydrophobicContact CB-CG2 3.89Å; L83-I127 HydrophobicContact CD1-CG2 4.03Å; L84-I127 HydrophobicContact CD2-CD1 4.27Å; L84-I127 HydrophobicContact CD2-CG1 3.77Å; L84-I127 HydrophobicContact CG-CG1 4.44Å; F89-I127 HydrophobicContact CZ-CG2 4.1Å; F89-I127 WeakPolarHBondContact CZ-O 3.33Å; L102-I127 HydrophobicContact CD1-CG2 4.37Å; L102-I127 HydrophobicContact CD2-CG2 3.96Å; T123-I127 PolarHBondContact O-N 2.66Å; T123-I127 VanDerWaalsContact O-N 3.15Å; I124-I127 HydrophobicContact CD1-CD1 4.37Å; I124-I127 WeakPolarHBondContact O-CB 3.3Å; I124-I127 PolarHBondContact O-N 3.44Å; I124-I127 VanDerWaalsContact O-N 3.16Å; E125-I127 VanDerWaalsContact C-N 3.3Å; E125-I127 PolarHBondContact O-N 3.15Å; I127-D129 VanDerWaalsContact C-N 3.34Å; I127-D129 PolarHBondContact O-N 2.82Å; I127-N130 PolarHBondContact O-N 2.8Å; I127-A131 PolarHBondContact O-N 2.79Å
128	I	98.7	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-42	178.1	-65	167.5	0	0	0	110.7	L102 I124 E125 A131 G132 I138 I140 F225 K228 N230 V231	L102-I128 HydrophobicContact CD2-CG1 4.3Å; I124-I128 HydrophobicContact CG2-CD1 3.97Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.41Å; I124-I128 PolarHBondContact O-N 2.95Å; E125-I128 PolarHBondContact O-N 3.34Å; E125-I128 VanDerWaalsContact O-N 3.15Å; I128-A131 WeakPolarHBondContact O-CB 3.23Å; I128-A131 PolarHBondContact O-N 3.36Å; I128-G132 PolarHBondContact O-N 2.71Å; I128-I138 HydrophobicContact CB-CG1 4.49Å; I128-I138 HydrophobicContact CG1-CG1 4.17Å; I128-I138 HydrophobicContact CG1-CG2 4.28Å; I128-I138 HydrophobicContact CG2-CG1 4.36Å; I128-I140 HydrophobicContact CD1-CD1 4.06Å; I128-F225 HydrophobicContact CD1-CB 4.46Å; I128-F225 HydrophobicContact CD1-CD1 3.62Å; I128-F225 HydrophobicContact CD1-CD2 4.31Å; I128-F225 HydrophobicContact CD1-CE1 3.85Å; I128-F225 HydrophobicContact CD1-CE2 4.5Å; I128-F225 HydrophobicContact CD1-CG 3.89Å; I128-F225 HydrophobicContact CD1-CZ 4.29Å; I128-K228 HydrophobicContact CG2-CB 4.28Å; I128-K228 HydrophobicContact CG2-CD 4.18Å; I128-K228 HydrophobicContact CG2-CG 4.27Å; I128-N230 PolarHBondContact O-ND2 3.35Å; I128-V231 HydrophobicContact CD1-CG2 4.42Å; I128-V231 HydrophobicContact CG2-CG2 3.87Å
129	D	98.6	Very high	98.1	Very high	68 Å²	68	36.4 Å²	36.4	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-66.1	-44.3	177.8	-74.7	-28.8	0	0	0	112	E125 K126 I127 A131 G132 L133 K228	E125-D129 PolarHBondContact O-N 3.41Å; K126-D129 PolarHBondContact O-N 3.34Å; I127-D129 VanDerWaalsContact C-N 3.34Å; I127-D129 PolarHBondContact O-N 2.82Å; D129-A131 VanDerWaalsContact C-N 3.26Å; D129-A131 PolarHBondContact O-N 2.89Å; D129-G132 PolarHBondContact O-N 2.99Å; D129-G132 VanDerWaalsContact O-N 3.09Å; D129-L133 WeakPolarHBondContact O-CG 3.5Å; D129-L133 PolarHBondContact O-N 3.01Å; D129-K228 WeakPolarHBondContact OD1-CD 3.48Å; D129-K228 IonicContact OD1-NZ 2.85Å; D129-K228 PolarHBondContact OD1-NZ 2.9Å; D129-K228 IonicContact OD2-NZ 2.76Å; D129-K228 PolarHBondContact OD2-NZ 3.38Å
130	N	98.4	Very high	98.2	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.064	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-40.7	174.5	-75.1	-11.9	0	0	0	111.7	L83 L84 F89 K126 I127 Y134	L83-N130 PolarHBondContact O-ND2 2.87Å; L83-N130 VanDerWaalsContact O-ND2 3.13Å; L84-N130 VanDerWaalsContact C-ND2 3.26Å; L84-N130 PolarHBondContact O-ND2 3.22Å; F89-N130 HydrophobicContact CD2-CB 3.57Å; F89-N130 HydrophobicContact CE2-CB 3.44Å; F89-N130 VanDerWaalsContact CE2-CB 3.44Å; F89-N130 HydrophobicContact CZ-CB 4.46Å; K126-N130 WeakPolarHBondContact O-CB 3.38Å; K126-N130 PolarHBondContact O-N 2.76Å; K126-N130 PolarHBondContact O-ND2 3.34Å; K126-N130 PolarHBondContact O-OD1 2.85Å; I127-N130 PolarHBondContact O-N 2.8Å; N130-Y134 WeakPolarHBondContact O-CD2 3.33Å
131	A	98.1	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-45.2	173.9	0	0	0	0	0	111.7	F89 I127 I128 D129 L133 Y134 G135 V136 I138	F89-A131 VanDerWaalsContact CD1-CA 3.47Å; F89-A131 HydrophobicContact CD1-CB 3.71Å; F89-A131 HydrophobicContact CE1-CB 3.31Å; F89-A131 HydrophobicContact CE2-CB 4.43Å; F89-A131 HydrophobicContact CG-CB 4.39Å; F89-A131 HydrophobicContact CZ-CB 3.71Å; I127-A131 PolarHBondContact O-N 2.79Å; I128-A131 WeakPolarHBondContact O-CB 3.23Å; I128-A131 PolarHBondContact O-N 3.36Å; D129-A131 VanDerWaalsContact C-N 3.26Å; D129-A131 PolarHBondContact O-N 2.89Å; A131-L133 VanDerWaalsContact C-N 3.33Å; A131-L133 PolarHBondContact O-N 3.09Å; A131-Y134 PolarHBondContact O-N 2.74Å; A131-Y134 VanDerWaalsContact O-N 3.13Å; A131-G135 PolarHBondContact O-N 3.06Å; A131-V136 CarbonylContact C-O 3.58Å; A131-V136 HydrophobicContact CB-CB 4.08Å; A131-V136 HydrophobicContact CB-CG1 4.33Å; A131-V136 WeakPolarHBondContact CB-O 3.34Å; A131-V136 PolarHBondContact O-N 3.44Å; A131-I138 HydrophobicContact CB-CD1 3.74Å; A131-I138 HydrophobicContact CB-CG1 4.02Å
132	G	97.2	Very high	98.1	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-43.4	179.6	0	0	0	0	0	112.8	I128 D129 Y134 G135 Y229 N230	I128-G132 PolarHBondContact O-N 2.71Å; D129-G132 PolarHBondContact O-N 2.99Å; D129-G132 VanDerWaalsContact O-N 3.09Å; G132-Y134 PolarHBondContact O-N 3.42Å; G132-G135 PolarHBondContact O-N 3.27Å; G132-Y229 VanDerWaalsContact C-OH 3.31Å; G132-Y229 PolarHBondContact O-OH 3.36Å; G132-N230 WeakPolarHBondContact CA-ND2 3.18Å; G132-N230 PolarHBondContact N-ND2 2.91Å; G132-N230 VanDerWaalsContact N-ND2 3.18Å
133	L	97.1	Very high	98.1	Very high	125 Å²	125	25.6 Å²	25.6	65%	0.654	13%	0.131	S	C	*	.	H	α-helix	trans	-52.4	-28.6	178.2	-70.2	175.6	0	0	0	113.7	D129 A131	D129-L133 WeakPolarHBondContact O-CG 3.5Å; D129-L133 PolarHBondContact O-N 3.01Å; A131-L133 VanDerWaalsContact C-N 3.33Å; A131-L133 PolarHBondContact O-N 3.09Å
134	Y	96.4	Very high	97.7	Very high	67 Å²	67	24.4 Å²	24.4	26%	0.263	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	11.8	-179.1	-61.7	-79.8	0	0	0	113.7	P86 F89 K90 N130 A131 G132 V136	P86-Y134 HydrophobicContact CB-CE2 3.92Å; P86-Y134 WeakPolarHBondContact O-CE2 3.49Å; F89-Y134 HydrophobicContact CB-CD2 3.53Å; F89-Y134 HydrophobicContact CB-CE2 4.28Å; F89-Y134 HydrophobicContact CB-CG 4.12Å; K90-Y134 HydrophobicContact CB-CD1 3.91Å; K90-Y134 HydrophobicContact CB-CE1 3.53Å; K90-Y134 HydrophobicContact CB-CE2 4.43Å; K90-Y134 HydrophobicContact CB-CG 4.48Å; K90-Y134 HydrophobicContact CG-CD1 4.18Å; K90-Y134 HydrophobicContact CG-CE1 3.78Å; N130-Y134 WeakPolarHBondContact O-CD2 3.33Å; A131-Y134 PolarHBondContact O-N 2.74Å; A131-Y134 VanDerWaalsContact O-N 3.13Å; G132-Y134 PolarHBondContact O-N 3.42Å; Y134-V136 VanDerWaalsContact C-N 3.27Å; Y134-V136 PolarHBondContact O-N 3.11Å
135	G	94.6	Very high	97.4	Very high	29 Å²	29	25.1 Å²	25.1	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	20.4	178.9	0	0	0	0	0	114.1	A131 G132	A131-G135 PolarHBondContact O-N 3.06Å; G132-G135 PolarHBondContact O-N 3.27Å
136	V	97.2	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.			trans	-87.7	125.8	175.1	-180	0	0	0	0	109.1	F89 R93 I100 A131 Y134 N230	F89-V136 HydrophobicContact CD1-CB 4.18Å; F89-V136 HydrophobicContact CD1-CG1 4.21Å; F89-V136 HydrophobicContact CD1-CG2 4.28Å; F89-V136 HydrophobicContact CE1-CG1 4.43Å; R93-V136 HydrophobicContact CB-CG2 4.37Å; I100-V136 HydrophobicContact CD1-CG1 4.37Å; I100-V136 HydrophobicContact CG1-CG1 3.99Å; A131-V136 CarbonylContact C-O 3.58Å; A131-V136 HydrophobicContact CB-CB 4.08Å; A131-V136 HydrophobicContact CB-CG1 4.33Å; A131-V136 WeakPolarHBondContact CB-O 3.34Å; A131-V136 PolarHBondContact O-N 3.44Å; Y134-V136 VanDerWaalsContact C-N 3.27Å; Y134-V136 PolarHBondContact O-N 3.11Å; V136-N230 PolarHBondContact O-ND2 2.98Å
137	Y	98.5	Very high	97	Very high	27 Å²	27	17.6 Å²	17.6	11%	0.106	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	156.8	178.2	-75.6	-94.8	0	0	0	112.1	V47 F66 N98 V99 I100 N230 L232	V47-Y137 HydrophobicContact CG2-CE1 3.8Å; F66-Y137 HydrophobicContact CD1-CD2 4.36Å; F66-Y137 AromaticContact CE1-CD2 3.63Å; F66-Y137 HydrophobicContact CE1-CD2 3.63Å; F66-Y137 AromaticContact CE1-CE2 3.96Å; F66-Y137 HydrophobicContact CE1-CE2 3.96Å; F66-Y137 AromaticContact CE1-CG 3.93Å; F66-Y137 HydrophobicContact CE1-CG 3.93Å; N98-Y137 PolarHBondContact O-N 2.91Å; V99-Y137 CarbonylContact C-O 3.59Å; V99-Y137 VanDerWaalsContact CA-O 3.26Å; V99-Y137 WeakPolarHBondContact CA-O 3.34Å; I100-Y137 PolarHBondContact N-O 3.11Å; Y137-N230 CarbonylContact C-O 3.31Å; Y137-N230 WeakPolarHBondContact CA-O 3.49Å; Y137-N230 WeakPolarHBondContact CD1-O 3.5Å; Y137-L232 HydrophobicContact CD1-CB 4.01Å; Y137-L232 HydrophobicContact CD1-CD1 4.33Å; Y137-L232 HydrophobicContact CG-CB 4.44Å
138	I	98.8	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.6	178.6	-58.4	-62.5	0	0	0	109.9	I100 L102 I128 A131 I140 N230 V231 L232	I100-I138 HydrophobicContact CB-CD1 3.94Å; I100-I138 CarbonylContact O-C 3.54Å; I100-I138 WeakPolarHBondContact O-CA 3.49Å; L102-I138 HydrophobicContact CB-CG2 3.85Å; L102-I138 HydrophobicContact CD2-CG2 4.05Å; I128-I138 HydrophobicContact CB-CG1 4.49Å; I128-I138 HydrophobicContact CG1-CG1 4.17Å; I128-I138 HydrophobicContact CG1-CG2 4.28Å; I128-I138 HydrophobicContact CG2-CG1 4.36Å; A131-I138 HydrophobicContact CB-CD1 3.74Å; A131-I138 HydrophobicContact CB-CG1 4.02Å; I138-I140 HydrophobicContact CG2-CG1 3.86Å; I138-N230 PolarHBondContact N-O 3.3Å; I138-V231 CarbonylContact O-C 3.56Å; I138-V231 WeakPolarHBondContact O-CA 3.37Å; I138-L232 PolarHBondContact O-N 2.86Å
139	I	98.9	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.4	159.4	-58.2	166.6	0	0	0	105.8	V99 I100 R101 L102 L232 G233 E235 F282 F371	V99-I139 HydrophobicContact CG2-CD1 4.06Å; V99-I139 HydrophobicContact CG2-CG1 4.05Å; I100-I139 PolarHBondContact O-N 2.95Å; R101-I139 HydrophobicContact CB-CB 4.49Å; L102-I139 PolarHBondContact N-O 2.69Å; I139-L232 HydrophobicContact CD1-CD2 4.29Å; I139-L232 HydrophobicContact CG1-CB 4.36Å; I139-L232 HydrophobicContact CG1-CD2 4Å; I139-L232 HydrophobicContact CG1-CG 4.48Å; I139-G233 WeakPolarHBondContact CA-O 3.26Å; I139-E235 HydrophobicContact CG2-CB 4.06Å; I139-F282 HydrophobicContact CD1-CD1 4.3Å; I139-F282 HydrophobicContact CD1-CE1 3.64Å; I139-F282 HydrophobicContact CD1-CZ 3.84Å; I139-F282 HydrophobicContact CG1-CE1 4.23Å; I139-F282 HydrophobicContact CG1-CE2 4.36Å; I139-F282 HydrophobicContact CG1-CZ 4.02Å; I139-F282 HydrophobicContact CG2-CD1 4.39Å; I139-F282 HydrophobicContact CG2-CD2 4.43Å; I139-F282 HydrophobicContact CG2-CG 4.29Å; I139-F371 HydrophobicContact CD1-CD2 4.38Å; I139-F371 HydrophobicContact CD1-CE1 4.16Å; I139-F371 HydrophobicContact CD1-CE2 3.94Å; I139-F371 HydrophobicContact CD1-CZ 3.85Å
140	I	98.9	Very high	96.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.6	177	-59.7	-176.9	0	0	0	108	F104 I128 I138 T221 F225 V231 G233 Y234 E235	F104-I140 HydrophobicContact CB-CG2 3.58Å; F104-I140 HydrophobicContact CD1-CG2 4.15Å; F104-I140 HydrophobicContact CG-CG2 4.18Å; I128-I140 HydrophobicContact CD1-CD1 4.06Å; I138-I140 HydrophobicContact CG2-CG1 3.86Å; I140-T221 HydrophobicContact CD1-CG2 4.1Å; I140-T221 HydrophobicContact CG2-CG2 4.01Å; I140-F225 HydrophobicContact CD1-CB 4.01Å; I140-F225 HydrophobicContact CD1-CD2 3.56Å; I140-F225 HydrophobicContact CD1-CE2 4.31Å; I140-F225 HydrophobicContact CD1-CG 4Å; I140-V231 HydrophobicContact CD1-CG1 4.09Å; I140-V231 HydrophobicContact CD1-CG2 4.35Å; I140-V231 HydrophobicContact CG1-CG1 4.3Å; I140-G233 PolarHBondContact N-O 3.29Å; I140-Y234 HydrophobicContact CB-CD1 4.22Å; I140-Y234 HydrophobicContact CD1-CD1 4.43Å; I140-Y234 HydrophobicContact CD1-CE1 4.11Å; I140-E235 PolarHBondContact O-N 2.9Å
141	D	98.7	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.9	-173.8	174.7	34.1	0	0	0	112.6	R101 L102 F104 H143 E235	R101-D141 HydrophobicContact CG-CB 4.1Å; R101-D141 IonicContact CZ-OD2 3.62Å; R101-D141 IonicContact NH1-OD2 3.4Å; R101-D141 IonicContact NH2-OD1 3.98Å; R101-D141 IonicContact NH2-OD2 2.56Å; L102-D141 PolarHBondContact O-N 3.3Å; F104-D141 PolarHBondContact N-O 3.3Å; D141-H143 PolarHBondContact O-N 3.48Å; D141-H143 VanDerWaalsContact OD2-CB 3.25Å; D141-H143 WeakPolarHBondContact OD2-CB 3.49Å; D141-H143 IonicContact OD2-CG 2.85Å; D141-H143 IonicContact OD2-ND1 2.65Å; D141-H143 PolarHBondContact OD2-ND1 3.46Å; D141-E235 HydrophobicContact CB-CB 4.39Å
142	F	98.4	Very high	96	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	13%	0.127	C	C	.	.			trans	-83.6	87.8	162.3	179.1	-99.6	0	0	0	110.1	W106 Q144 V157 F214 Y217 W218 E235 L236 I237 N238	W106-F142 HydrophobicContact CB-CE2 3.87Å; W106-F142 HydrophobicContact CD2-CE2 4.12Å; W106-F142 HydrophobicContact CE3-CD2 4.42Å; W106-F142 AromaticContact CE3-CE2 3.37Å; W106-F142 HydrophobicContact CE3-CE2 3.37Å; W106-F142 AromaticContact CE3-CZ 3.64Å; W106-F142 HydrophobicContact CE3-CZ 3.64Å; W106-F142 HydrophobicContact CG-CE2 4.38Å; W106-F142 HydrophobicContact CZ3-CE2 4.18Å; W106-F142 HydrophobicContact CZ3-CZ 4.12Å; F142-Q144 HydrophobicContact CE1-CB 3.92Å; F142-Q144 HydrophobicContact CZ-CB 4.44Å; F142-V157 HydrophobicContact CE2-CG1 4.41Å; F142-V157 HydrophobicContact CZ-CG1 3.75Å; F142-F214 HydrophobicContact CD1-CE1 4.18Å; F142-F214 AromaticContact CE1-CE1 3.7Å; F142-F214 HydrophobicContact CE1-CE1 3.7Å; F142-F214 HydrophobicContact CE1-CZ 4.26Å; F142-F214 AromaticContact CZ-CE1 3.91Å; F142-F214 HydrophobicContact CZ-CE1 3.91Å; F142-F214 HydrophobicContact CZ-CZ 4.37Å; F142-Y217 HydrophobicContact CB-CE1 4.3Å; F142-Y217 HydrophobicContact CD2-CE1 4.05Å; F142-Y217 HydrophobicContact CD2-CE2 4.11Å; F142-Y217 AromaticContact CD2-CZ 3.78Å; F142-W218 HydrophobicContact CB-CZ2 3.94Å; F142-E235 PolarHBondContact N-O 3.19Å; F142-L236 WeakPolarHBondContact CB-O 3.42Å; F142-I237 HydrophobicContact CD1-CB 4.08Å; F142-I237 HydrophobicContact CD1-CG1 3.93Å; F142-I237 HydrophobicContact CE1-CD1 4.32Å; F142-I237 HydrophobicContact CE1-CG1 4.13Å; F142-N238 PolarHBondContact O-N 2.86Å
143	H	97.1	Very high	95.8	Very high	18 Å²	18	24.7 Å²	24.7	8%	0.083	13%	0.13	C	C	.	.			trans	-85.3	115.3	-174	-156.3	85.7	0	0	0	112.7	V72 K74 D141 D145 A156 N238 W409	V72-H143 HydrophobicContact CG1-CB 3.88Å; K74-H143 WeakPolarHBondContact CE-NE2 3.41Å; K74-H143 PolarHBondContact NZ-NE2 3.25Å; D141-H143 PolarHBondContact O-N 3.48Å; D141-H143 VanDerWaalsContact OD2-CB 3.25Å; D141-H143 WeakPolarHBondContact OD2-CB 3.49Å; D141-H143 IonicContact OD2-CG 2.85Å; D141-H143 IonicContact OD2-ND1 2.65Å; D141-H143 PolarHBondContact OD2-ND1 3.46Å; H143-D145 IonicContact CD2-OD1 2.85Å; H143-D145 IonicContact NE2-OD1 2.7Å; H143-D145 PolarHBondContact NE2-OD1 3.27Å; H143-D145 IonicContact NE2-OD2 2.96Å; H143-A156 VanDerWaalsContact O-CB 3.25Å; H143-A156 WeakPolarHBondContact O-CB 3.47Å; H143-N238 VanDerWaalsContact CE1-CG 3.49Å; H143-N238 PolarHBondContact CE1-OD1 3.17Å; H143-N238 VanDerWaalsContact CE1-OD1 3.3Å; H143-N238 PolarHBondContact ND1-OD1 2.64Å; H143-W409 AromaticContact CE1-CH2 3.49Å; H143-W409 VanDerWaalsContact CE1-CH2 3.49Å; H143-W409 WeakPolarHBondContact CE1-CH2 3.24Å; H143-W409 AromaticContact CE1-CZ3 3.42Å; H143-W409 VanDerWaalsContact CE1-CZ3 3.42Å; H143-W409 WeakPolarHBondContact CE1-CZ3 3.35Å; H143-W409 AromaticContact NE2-CH2 3.5Å; H143-W409 WeakPolarHBondContact NE2-CH2 3.42Å; H143-W409 AromaticContact NE2-CZ3 3.94Å
144	Q	91.9	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.			trans	-106.4	-34.7	-171.8	69.2	70.5	27.8	0	0	118.8	F142 G146 L147 A156 Y191 I237 N238 E239	F142-Q144 HydrophobicContact CE1-CB 3.92Å; F142-Q144 HydrophobicContact CZ-CB 4.44Å; Q144-G146 PolarHBondContact O-N 3.34Å; Q144-G146 VanDerWaalsContact O-N 3.08Å; Q144-L147 WeakPolarHBondContact O-CA 3.22Å; Q144-L147 PolarHBondContact O-N 3.11Å; Q144-A156 HydrophobicContact CB-CB 3.97Å; Q144-A156 WeakPolarHBondContact O-CB 3.3Å; Q144-Y191 PolarHBondContact NE2-OH 2.9Å; Q144-Y191 PolarHBondContact OE1-OH 3.25Å; Q144-I237 HydrophobicContact CG-CD1 4.06Å; Q144-I237 HydrophobicContact CG-CG1 3.75Å; Q144-N238 WeakPolarHBondContact CG-O 3.33Å; Q144-N238 PolarHBondContact NE2-O 3.47Å; Q144-E239 PolarHBondContact NE2-O 3.34Å
145	D	90.9	Very high	95.3	Very high	16 Å²	16	19.2 Å²	19.2	9%	0.086	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	33.2	58	174.8	-90.9	26.7	0	0	0	116.6	K74 H143 A153 I154 W187 N238	K74-D145 IonicContact NZ-OD2 3.2Å; K74-D145 PolarHBondContact NZ-OD2 3.03Å; H143-D145 IonicContact CD2-OD1 2.85Å; H143-D145 IonicContact NE2-OD1 2.7Å; H143-D145 PolarHBondContact NE2-OD1 3.27Å; H143-D145 IonicContact NE2-OD2 2.96Å; D145-A153 WeakPolarHBondContact O-CB 3.19Å; D145-I154 HydrophobicContact CB-CD1 3.83Å; D145-I154 HydrophobicContact CB-CG1 3.88Å; D145-W187 HydrophobicContact CB-CH2 4.09Å; D145-W187 HydrophobicContact CB-CZ3 4.23Å; D145-N238 PolarHBondContact OD1-ND2 2.78Å
146	G	93.2	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	10.2	179.6	0	0	0	0	0	114.6	Q144 S148 A153 Y191	Q144-G146 PolarHBondContact O-N 3.34Å; Q144-G146 VanDerWaalsContact O-N 3.08Å; G146-S148 PolarHBondContact O-N 2.87Å; G146-A153 VanDerWaalsContact CA-CB 3.47Å; G146-A153 WeakPolarHBondContact O-CB 3.46Å; G146-Y191 PolarHBondContact N-OH 3.01Å
147	L	95.8	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	69.7	-50.1	170.4	-168.1	76.1	0	0	0	115.9	Q144 L151 I154 A156 V157 M162 A199 F200 I203	Q144-L147 WeakPolarHBondContact O-CA 3.22Å; Q144-L147 PolarHBondContact O-N 3.11Å; L147-L151 HydrophobicContact CB-CD1 4.14Å; L147-L151 HydrophobicContact CD2-CD1 4.06Å; L147-I154 CarbonylContact C-O 3.41Å; L147-A156 PolarHBondContact O-N 2.84Å; L147-V157 HydrophobicContact CD1-CG1 3.57Å; L147-V157 HydrophobicContact CD1-CG2 4.22Å; L147-V157 HydrophobicContact CG-CG1 4.3Å; L147-V157 HydrophobicContact CG-CG2 4.06Å; L147-V157 PolarHBondContact O-N 3.28Å; L147-M162 HydrophobicContact CD2-CE 4.26Å; L147-M162 HydrophobicContact CD2-SD 3.77Å; L147-M162 HydrophobicContact CG-SD 4.12Å; L147-A199 HydrophobicContact CD2-CB 4.04Å; L147-F200 HydrophobicContact CB-CE1 4.46Å; L147-F200 HydrophobicContact CB-CE2 4.17Å; L147-F200 HydrophobicContact CB-CZ 3.73Å; L147-F200 HydrophobicContact CD1-CE1 4.36Å; L147-F200 HydrophobicContact CD1-CZ 4.43Å; L147-F200 HydrophobicContact CD2-CZ 4.38Å; L147-F200 HydrophobicContact CG-CZ 4.42Å; L147-I203 HydrophobicContact CD1-CD1 4.09Å; L147-I203 HydrophobicContact CD2-CD1 3.97Å
148	S	95.8	Very high	95.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.			trans	-157.9	153.8	-174.1	176.7	0	0	0	0	114.3	G146 R150 L151 A153 I154 D155	G146-S148 PolarHBondContact O-N 2.87Å; S148-R150 PolarHBondContact O-N 3.36Å; S148-R150 PolarHBondContact OG-N 3.13Å; S148-R150 VanDerWaalsContact OG-N 3.09Å; S148-L151 WeakPolarHBondContact O-CA 3.23Å; S148-L151 WeakPolarHBondContact O-CB 3.35Å; S148-L151 PolarHBondContact O-N 3.1Å; S148-A153 PolarHBondContact O-N 3Å; S148-I154 CarbonylContact C-O 3.5Å; S148-I154 WeakPolarHBondContact CA-O 3.2Å; S148-I154 PolarHBondContact N-O 2.7Å; S148-D155 PolarHBondContact OG-OD1 3Å
149	K	94.3	Very high	95.3	Very high	142 Å²	142	21.4 Å²	21.4	62%	0.617	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-56.9	-27.2	165.9	-74.2	-177.7	-163.8	144	0	114	L151 G152 A153 D155	K149-L151 PolarHBondContact O-N 3.46Å; K149-L151 VanDerWaalsContact O-N 3.12Å; K149-G152 PolarHBondContact O-N 2.98Å; K149-A153 WeakPolarHBondContact CA-O 3.43Å; K149-A153 WeakPolarHBondContact CG-O 3.2Å; K149-A153 PolarHBondContact N-O 2.76Å; K149-D155 WeakPolarHBondContact CB-OD1 3.06Å; K149-D155 WeakPolarHBondContact CD-OD2 3.49Å; K149-D155 WeakPolarHBondContact CE-OD2 3.46Å; K149-D155 WeakPolarHBondContact CG-OD2 3.29Å; K149-D155 PolarHBondContact N-OD1 2.94Å; K149-D155 IonicContact NZ-OD2 3.39Å; K149-D155 PolarHBondContact NZ-OD2 2.95Å
150	R	95.1	Very high	95.2	Very high	48 Å²	48	22.6 Å²	22.6	18%	0.181	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-57.5	-24.7	171.8	174.4	173	159.8	-158.3	-19.1	112.2	S148 M162 I165 R167 E195	S148-R150 PolarHBondContact O-N 3.36Å; S148-R150 PolarHBondContact OG-N 3.13Å; S148-R150 VanDerWaalsContact OG-N 3.09Å; R150-M162 HydrophobicContact CB-CE 4.5Å; R150-M162 PolarHBondContact NH1-O 2.75Å; R150-I165 PolarHBondContact NH1-O 3.45Å; R150-I165 PolarHBondContact NH2-O 2.98Å; R150-R167 VanDerWaalsContact NH2-CG 3.27Å; R150-E195 IonicContact CZ-OE1 3.31Å; R150-E195 IonicContact NE-OE1 2.61Å; R150-E195 PolarHBondContact NE-OE1 2.84Å; R150-E195 IonicContact NH2-OE1 3.19Å; R150-E195 PolarHBondContact NH2-OE1 3.2Å
151	L	95.6	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-106.2	17	179.9	-53.6	177.2	0	0	0	112.2	L147 S148 K149 A153 M162 Y174 T190 E195 A199	L147-L151 HydrophobicContact CB-CD1 4.14Å; L147-L151 HydrophobicContact CD2-CD1 4.06Å; S148-L151 WeakPolarHBondContact O-CA 3.23Å; S148-L151 WeakPolarHBondContact O-CB 3.35Å; S148-L151 PolarHBondContact O-N 3.1Å; K149-L151 PolarHBondContact O-N 3.46Å; K149-L151 VanDerWaalsContact O-N 3.12Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.22Å; L151-M162 HydrophobicContact CD1-CE 4.14Å; L151-M162 HydrophobicContact CG-CE 4.21Å; L151-Y174 VanDerWaalsContact C-CD2 3.47Å; L151-Y174 VanDerWaalsContact C-CE2 3.44Å; L151-Y174 VanDerWaalsContact O-CD2 3.31Å; L151-Y174 WeakPolarHBondContact O-CD2 3.37Å; L151-Y174 WeakPolarHBondContact O-CE2 3.44Å; L151-T190 VanDerWaalsContact O-CB 3.31Å; L151-T190 WeakPolarHBondContact O-CB 3.42Å; L151-T190 VanDerWaalsContact O-CG2 3.32Å; L151-T190 WeakPolarHBondContact O-CG2 3.11Å; L151-E195 HydrophobicContact CD2-CB 3.97Å; L151-E195 HydrophobicContact CD2-CG 3.63Å; L151-A199 HydrophobicContact CD1-CB 4.1Å
152	G	92.5	Very high	95.1	Very high	32 Å²	32	22.6 Å²	22.6	33%	0.33	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	10	-178.2	0	0	0	0	0	115.1	K149 Y174	K149-G152 PolarHBondContact O-N 2.98Å; G152-Y174 VanDerWaalsContact CA-CZ 3.45Å; G152-Y174 WeakPolarHBondContact CA-OH 3.29Å
153	A	92.4	Very high	95	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	15%	0.149	C	C	.	.	S	Bend	trans	-111.6	-168	-175.4	0	0	0	0	0	112.4	D145 G146 S148 K149 L151	D145-A153 WeakPolarHBondContact O-CB 3.19Å; G146-A153 VanDerWaalsContact CA-CB 3.47Å; G146-A153 WeakPolarHBondContact O-CB 3.46Å; S148-A153 PolarHBondContact O-N 3Å; K149-A153 WeakPolarHBondContact CA-O 3.43Å; K149-A153 WeakPolarHBondContact CG-O 3.2Å; K149-A153 PolarHBondContact N-O 2.76Å; L151-A153 VanDerWaalsContact C-N 3.28Å; L151-A153 PolarHBondContact O-N 3.22Å
154	I	90.3	Very high	95.1	Very high	58 Å²	58	30.7 Å²	30.7	30%	0.297	16%	0.159	S	C	.	.			trans	-80	155.6	171.3	56.8	156.2	0	0	0	111.1	K74 D145 L147 S148 A156	K74-I154 HydrophobicContact CB-CD1 3.76Å; K74-I154 HydrophobicContact CD-CD1 3.57Å; K74-I154 HydrophobicContact CG-CD1 3.54Å; D145-I154 HydrophobicContact CB-CD1 3.83Å; D145-I154 HydrophobicContact CB-CG1 3.88Å; L147-I154 CarbonylContact C-O 3.41Å; S148-I154 CarbonylContact C-O 3.5Å; S148-I154 WeakPolarHBondContact CA-O 3.2Å; S148-I154 PolarHBondContact N-O 2.7Å; I154-A156 PolarHBondContact O-N 3.3Å
155	D	93.1	Very high	95.4	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	16%	0.159	C	C	.	.			trans	-80.4	96.5	176	-68.4	-45.3	0	0	0	110.7	I107 S148 K149	I107-D155 HydrophobicContact CD1-CB 3.98Å; S148-D155 PolarHBondContact OG-OD1 3Å; K149-D155 WeakPolarHBondContact CB-OD1 3.06Å; K149-D155 WeakPolarHBondContact CD-OD2 3.49Å; K149-D155 WeakPolarHBondContact CE-OD2 3.46Å; K149-D155 WeakPolarHBondContact CG-OD2 3.29Å; K149-D155 PolarHBondContact N-OD1 2.94Å; K149-D155 IonicContact NZ-OD2 3.39Å; K149-D155 PolarHBondContact NZ-OD2 2.95Å
156	A	95.3	Very high	95.7	Very high	8 Å²	8	38.2 Å²	38.2	7%	0.066	19%	0.19	C	C	.	.			trans	-89.1	-28.6	170.7	0	0	0	0	0	113.2	W106 H143 Q144 L147 I154	W106-A156 WeakPolarHBondContact CB-O 3.35Å; H143-A156 VanDerWaalsContact O-CB 3.25Å; H143-A156 WeakPolarHBondContact O-CB 3.47Å; Q144-A156 HydrophobicContact CB-CB 3.97Å; Q144-A156 WeakPolarHBondContact O-CB 3.3Å; L147-A156 PolarHBondContact O-N 2.84Å; I154-A156 PolarHBondContact O-N 3.3Å
157	V	97.8	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-111.3	151.5	175	-53.5	0	0	0	0	110.8	W106 F142 L147 F161 M162	W106-V157 HydrophobicContact CE3-CB 4.09Å; W106-V157 HydrophobicContact CE3-CG1 3.6Å; W106-V157 HydrophobicContact CZ3-CG1 3.99Å; F142-V157 HydrophobicContact CE2-CG1 4.41Å; F142-V157 HydrophobicContact CZ-CG1 3.75Å; L147-V157 HydrophobicContact CD1-CG1 3.57Å; L147-V157 HydrophobicContact CD1-CG2 4.22Å; L147-V157 HydrophobicContact CG-CG1 4.3Å; L147-V157 HydrophobicContact CG-CG2 4.06Å; L147-V157 PolarHBondContact O-N 3.28Å; V157-F161 HydrophobicContact CB-CD1 3.75Å; V157-F161 HydrophobicContact CB-CE1 4.35Å; V157-F161 HydrophobicContact CB-CG 4.44Å; V157-F161 HydrophobicContact CG1-CD1 4.21Å; V157-F161 HydrophobicContact CG1-CE1 4.33Å; V157-F161 HydrophobicContact CG2-CD1 3.59Å; V157-F161 HydrophobicContact CG2-CE1 4.21Å; V157-M162 HydrophobicContact CG2-CG 3.7Å; V157-M162 HydrophobicContact CG2-SD 3.7Å
158	P	97.5	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.			trans	-61.4	148.3	174.9	-19.3	28.8	0	0	0	112.9	W106 K110 W160 F161 M162	W106-P158 HydrophobicContact CG-CG 4.15Å; K110-P158 HydrophobicContact CB-CG 4.22Å; K110-P158 WeakPolarHBondContact O-CB 3.43Å; K110-P158 WeakPolarHBondContact O-CG 3.32Å; P158-W160 HydrophobicContact CB-CD2 4.09Å; P158-W160 VanDerWaalsContact CB-CE2 3.49Å; P158-W160 HydrophobicContact CB-CG 4Å; P158-W160 HydrophobicContact CB-CZ2 4.06Å; P158-W160 HydrophobicContact CG-CZ2 3.71Å; P158-W160 PolarHBondContact O-N 3.33Å; P158-F161 WeakPolarHBondContact O-CB 3.23Å; P158-F161 PolarHBondContact O-N 2.93Å; P158-M162 PolarHBondContact O-N 2.54Å
159	N	97	Very high	96.1	Very high	93 Å²	93	47.7 Å²	47.7	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-56.7	-39	176.9	-70.6	-35.1	0	0	0	112.7	F161 M162 D163	N159-F161 PolarHBondContact O-N 2.81Å; N159-M162 WeakPolarHBondContact O-CB 3.32Å; N159-M162 PolarHBondContact O-N 3.38Å; N159-D163 PolarHBondContact O-N 3.47Å
160	W	97.7	Very high	96.2	Very high	25 Å²	25	49.7 Å²	49.7	10%	0.095	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-27.2	178.2	64.6	-104	0	0	0	112.8	W106 K110 H112 E113 P158 Y213	W106-W160 HydrophobicContact CZ2-CH2 4.41Å; K110-W160 HydrophobicContact CB-CZ2 3.79Å; K110-W160 HydrophobicContact CG-CZ2 4.39Å; K110-W160 PolarHBondContact O-NE1 3.49Å; H112-W160 VanDerWaalsContact C-NE1 3.3Å; E113-W160 HydrophobicContact CB-CD2 3.73Å; E113-W160 HydrophobicContact CB-CE3 3.81Å; E113-W160 HydrophobicContact CB-CG 4.06Å; E113-W160 HydrophobicContact CB-CZ3 4.4Å; E113-W160 HydrophobicContact CG-CD2 4.33Å; E113-W160 HydrophobicContact CG-CE3 3.89Å; E113-W160 HydrophobicContact CG-CZ3 4.11Å; P158-W160 HydrophobicContact CB-CD2 4.09Å; P158-W160 VanDerWaalsContact CB-CE2 3.49Å; P158-W160 HydrophobicContact CB-CG 4Å; P158-W160 HydrophobicContact CB-CZ2 4.06Å; P158-W160 HydrophobicContact CG-CZ2 3.71Å; P158-W160 PolarHBondContact O-N 3.33Å; W160-Y213 AromaticContact CH2-CD1 3.95Å; W160-Y213 HydrophobicContact CH2-CD1 3.95Å; W160-Y213 AromaticContact CZ3-CD1 3.49Å; W160-Y213 HydrophobicContact CZ3-CD1 3.49Å; W160-Y213 VanDerWaalsContact CZ3-CD1 3.49Å; W160-Y213 AromaticContact CZ3-CE1 3.88Å; W160-Y213 HydrophobicContact CZ3-CE1 3.88Å; W160-Y213 HydrophobicContact CZ3-CG 4.15Å
161	F	98	Very high	96.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-73.7	-43.9	174.6	170.9	-93.9	0	0	0	110.1	W106 V157 P158 N159 D163 K164 I165 I203 L210 Y213 F214	W106-F161 AromaticContact CH2-CD2 3.76Å; W106-F161 HydrophobicContact CH2-CD2 3.76Å; W106-F161 AromaticContact CH2-CE2 3.71Å; W106-F161 HydrophobicContact CH2-CE2 3.71Å; W106-F161 HydrophobicContact CH2-CG 4.3Å; W106-F161 HydrophobicContact CH2-CZ 4.21Å; W106-F161 HydrophobicContact CZ2-CD2 4.17Å; W106-F161 HydrophobicContact CZ3-CD2 4.37Å; W106-F161 HydrophobicContact CZ3-CE1 4.48Å; W106-F161 HydrophobicContact CZ3-CE2 4.24Å; W106-F161 HydrophobicContact CZ3-CZ 4.3Å; V157-F161 HydrophobicContact CB-CD1 3.75Å; V157-F161 HydrophobicContact CB-CE1 4.35Å; V157-F161 HydrophobicContact CB-CG 4.44Å; V157-F161 HydrophobicContact CG1-CD1 4.21Å; V157-F161 HydrophobicContact CG1-CE1 4.33Å; V157-F161 HydrophobicContact CG2-CD1 3.59Å; V157-F161 HydrophobicContact CG2-CE1 4.21Å; P158-F161 WeakPolarHBondContact O-CB 3.23Å; P158-F161 PolarHBondContact O-N 2.93Å; N159-F161 PolarHBondContact O-N 2.81Å; F161-D163 PolarHBondContact O-N 2.99Å; F161-K164 WeakPolarHBondContact O-CB 3.13Å; F161-K164 PolarHBondContact O-N 2.98Å; F161-I165 HydrophobicContact CE1-CD1 3.94Å; F161-I165 HydrophobicContact CZ-CD1 4.43Å; F161-I203 HydrophobicContact CE1-CD1 4.26Å; F161-I203 HydrophobicContact CZ-CD1 4.3Å; F161-I203 HydrophobicContact CZ-CG1 4.23Å; F161-L210 HydrophobicContact CD2-CD2 4.23Å; F161-L210 HydrophobicContact CE2-CD2 3.53Å; F161-L210 HydrophobicContact CZ-CD2 3.7Å; F161-Y213 HydrophobicContact CD2-CD2 4.19Å; F161-Y213 HydrophobicContact CD2-CG 4.08Å; F161-Y213 HydrophobicContact CE2-CD2 4.19Å; F161-Y213 HydrophobicContact CE2-CG 4.36Å; F161-F214 HydrophobicContact CE1-CE2 4.47Å; F161-F214 HydrophobicContact CE2-CD2 4.34Å; F161-F214 HydrophobicContact CE2-CE2 4.18Å; F161-F214 HydrophobicContact CZ-CD2 4.23Å; F161-F214 AromaticContact CZ-CE2 3.63Å; F161-F214 HydrophobicContact CZ-CE2 3.63Å; F161-F214 HydrophobicContact CZ-CZ 4.45Å
162	M	97.6	Very high	96.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-32.4	174.3	-70.3	-56.8	-64.8	0	0	112.4	L147 R150 L151 V157 P158 N159 K164 I165	L147-M162 HydrophobicContact CD2-CE 4.26Å; L147-M162 HydrophobicContact CD2-SD 3.77Å; L147-M162 HydrophobicContact CG-SD 4.12Å; R150-M162 HydrophobicContact CB-CE 4.5Å; R150-M162 PolarHBondContact NH1-O 2.75Å; L151-M162 HydrophobicContact CD1-CE 4.14Å; L151-M162 HydrophobicContact CG-CE 4.21Å; V157-M162 HydrophobicContact CG2-CG 3.7Å; V157-M162 HydrophobicContact CG2-SD 3.7Å; P158-M162 PolarHBondContact O-N 2.54Å; N159-M162 WeakPolarHBondContact O-CB 3.32Å; N159-M162 PolarHBondContact O-N 3.38Å; M162-K164 PolarHBondContact O-N 3.14Å; M162-I165 HydrophobicContact CE-CD1 4.38Å; M162-I165 WeakPolarHBondContact O-CB 3.39Å; M162-I165 PolarHBondContact O-N 2.78Å; M162-I165 HydrophobicContact SD-CD1 4Å
163	D	97	Very high	96.6	Very high	125 Å²	125	59.1 Å²	59.1	67%	0.668	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.2	176.1	-66	-26.8	0	0	0	113.2	N159 F161 I165	N159-D163 PolarHBondContact O-N 3.47Å; F161-D163 PolarHBondContact O-N 2.99Å; D163-I165 VanDerWaalsContact C-N 3.28Å
164	K	97.6	Very high	96.8	Very high	65 Å²	65	60.3 Å²	60.3	28%	0.283	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.7	173	-49.2	-57.1	-178.8	174.1	0	112.4	E113 F161 M162 K166 L210 Y213	E113-K164 WeakPolarHBondContact OE1-CE 3.42Å; E113-K164 IonicContact OE1-NZ 2.85Å; E113-K164 PolarHBondContact OE1-NZ 2.97Å; E113-K164 WeakPolarHBondContact OE2-CE 3.25Å; E113-K164 IonicContact OE2-NZ 3.8Å; E113-K164 PolarHBondContact OE2-NZ 3.43Å; F161-K164 WeakPolarHBondContact O-CB 3.13Å; F161-K164 PolarHBondContact O-N 2.98Å; M162-K164 PolarHBondContact O-N 3.14Å; K164-K166 PolarHBondContact O-N 2.79Å; K164-L210 HydrophobicContact CB-CD2 4.06Å; K164-Y213 HydrophobicContact CB-CE2 4.47Å; K164-Y213 HydrophobicContact CG-CE2 4.09Å
165	I	98	Very high	97.1	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	-87	101.8	176.8	-52.9	-178.1	0	0	0	108.9	R150 F161 M162 D163 R167 A199 I203 L210	R150-I165 PolarHBondContact NH1-O 3.45Å; R150-I165 PolarHBondContact NH2-O 2.98Å; F161-I165 HydrophobicContact CE1-CD1 3.94Å; F161-I165 HydrophobicContact CZ-CD1 4.43Å; M162-I165 HydrophobicContact CE-CD1 4.38Å; M162-I165 WeakPolarHBondContact O-CB 3.39Å; M162-I165 PolarHBondContact O-N 2.78Å; M162-I165 HydrophobicContact SD-CD1 4Å; D163-I165 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 2.85Å; I165-A199 HydrophobicContact CD1-CB 4.3Å; I165-A199 HydrophobicContact CG2-CB 4.35Å; I165-I203 HydrophobicContact CD1-CD1 4.44Å; I165-I203 HydrophobicContact CD1-CG1 4.29Å; I165-L210 HydrophobicContact CD1-CD1 4.41Å; I165-L210 HydrophobicContact CD1-CD2 4.44Å; I165-L210 HydrophobicContact CG1-CD1 3.91Å; I165-L210 HydrophobicContact CG1-CD2 3.77Å
166	K	97.6	Very high	97.2	Very high	171 Å²	171	62.9 Å²	62.9	74%	0.743	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-51.4	125.5	175.8	-176	-178.2	-178.7	-178.7	0	109.9	K164 H198	K164-K166 PolarHBondContact O-N 2.79Å; K166-H198 PolarHBondContact O-NE2 3.3Å
167	R	97.8	Very high	97.3	Very high	110 Å²	110	65.2 Å²	65.2	42%	0.415	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.1	177.9	-42.8	-153.8	59.6	-179.5	-7.4	111.2	R150 I165 E195	R150-R167 VanDerWaalsContact NH2-CG 3.27Å; I165-R167 PolarHBondContact O-N 2.85Å; R167-E195 IonicContact CZ-OE1 3.8Å; R167-E195 IonicContact CZ-OE2 3.52Å; R167-E195 IonicContact NE-OE1 3.6Å; R167-E195 PolarHBondContact NE-OE1 2.96Å; R167-E195 IonicContact NE-OE2 3.95Å; R167-E195 IonicContact NH2-OE1 2.87Å; R167-E195 PolarHBondContact NH2-OE1 2.87Å; R167-E195 VanDerWaalsContact NH2-OE1 3.09Å; R167-E195 IonicContact NH2-OE2 3.92Å; R167-E195 PolarHBondContact NH2-OE2 2.91Å
168	P	97.5	Very high	97.2	Very high	7 Å²	7	67.5 Å²	67.5	5%	0.045	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-67.3	169.3	166.8	33	-37	0	0	0	111	F172 Q173 Y194 E195	P168-F172 HydrophobicContact CB-CB 4.31Å; P168-Q173 HydrophobicContact CG-CG 3.96Å; P168-Q173 PolarHBondContact O-NE2 3.29Å; P168-Y194 HydrophobicContact CB-CD1 3.87Å; P168-Y194 HydrophobicContact CB-CE1 3.58Å; P168-Y194 HydrophobicContact CG-CD1 4.09Å; P168-Y194 HydrophobicContact CG-CE1 4.29Å; P168-E195 HydrophobicContact CG-CB 4.06Å; P168-E195 HydrophobicContact CG-CG 3.88Å
169	P	97.6	Very high	96.9	Very high	82 Å²	82	74.2 Å²	74.2	53%	0.532	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-50	143.9	172.1	-25.6	34.4	0	0	0	111.6	F171 F172 Q173	P169-F171 PolarHBondContact O-N 3.47Å; P169-F172 HydrophobicContact CB-CD2 4.14Å; P169-F172 HydrophobicContact CG-CD2 4.24Å; P169-F172 PolarHBondContact O-N 2.89Å; P169-Q173 PolarHBondContact O-N 2.87Å
170	Y	97.3	Very high	96.7	Very high	184 Å²	184	77.4 Å²	77.4	72%	0.722	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-48.5	-41.4	-170.2	178.9	-104.6	0	0	0	114.4	F172 Q173	Y170-F172 PolarHBondContact O-N 3.31Å; Y170-Q173 WeakPolarHBondContact O-CB 3.29Å; Y170-Q173 PolarHBondContact O-N 3.04Å; Y170-Q173 VanDerWaalsContact O-N 3.13Å
171	F	96.2	Very high	96.4	Very high	166 Å²	166	81 Å²	81	73%	0.728	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-66.9	-17.3	179.9	-57.5	-75.6	0	0	0	115	P169	P169-F171 PolarHBondContact O-N 3.47Å
172	F	97.2	Very high	96	Very high	78 Å²	78	82.3 Å²	82.3	34%	0.342	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-106.6	5.3	176.6	-61.2	-58.8	0	0	0	112.7	P168 P169 Y170 W176 Y194	P168-F172 HydrophobicContact CB-CB 4.31Å; P169-F172 HydrophobicContact CB-CD2 4.14Å; P169-F172 HydrophobicContact CG-CD2 4.24Å; P169-F172 PolarHBondContact O-N 2.89Å; Y170-F172 PolarHBondContact O-N 3.31Å; F172-W176 AromaticContact CD1-CD2 3.88Å; F172-W176 HydrophobicContact CD1-CD2 3.88Å; F172-W176 AromaticContact CD1-CE3 3.83Å; F172-W176 HydrophobicContact CD1-CE3 3.83Å; F172-W176 HydrophobicContact CD1-CH2 4.03Å; F172-W176 HydrophobicContact CD1-CZ2 4.09Å; F172-W176 AromaticContact CD1-CZ3 3.91Å; F172-W176 HydrophobicContact CD1-CZ3 3.91Å; F172-W176 HydrophobicContact CE1-CH2 4.02Å; F172-W176 AromaticContact CE1-CZ2 3.95Å; F172-W176 HydrophobicContact CE1-CZ2 3.95Å; F172-W176 HydrophobicContact CE1-CZ3 4.35Å; F172-Y194 HydrophobicContact CB-CD1 3.69Å; F172-Y194 HydrophobicContact CB-CD2 4.49Å; F172-Y194 HydrophobicContact CB-CE1 4.08Å; F172-Y194 HydrophobicContact CB-CG 3.94Å; F172-Y194 HydrophobicContact CD1-CD2 4.49Å; F172-Y194 HydrophobicContact CG-CD1 4.48Å; F172-Y194 HydrophobicContact CG-CG 4.49Å
173	Q	97.6	Very high	95.5	Very high	35 Å²	35	85.5 Å²	85.5	16%	0.164	42%	0.418	C	S	.	.	S	Bend	trans	-69.9	157	172.8	-70.6	178.1	17	0	0	110	P168 P169 Y170 W176 E195	P168-Q173 HydrophobicContact CG-CG 3.96Å; P168-Q173 PolarHBondContact O-NE2 3.29Å; P169-Q173 PolarHBondContact O-N 2.87Å; Y170-Q173 WeakPolarHBondContact O-CB 3.29Å; Y170-Q173 PolarHBondContact O-N 3.04Å; Y170-Q173 VanDerWaalsContact O-N 3.13Å; Q173-W176 WeakPolarHBondContact O-CB 3.09Å; Q173-W176 PolarHBondContact O-N 2.65Å; Q173-E195 VanDerWaalsContact CA-OE2 3.28Å; Q173-E195 WeakPolarHBondContact CA-OE2 3.21Å; Q173-E195 VanDerWaalsContact CB-OE2 3.27Å; Q173-E195 WeakPolarHBondContact CB-OE2 3.13Å
174	Y	97	Very high	94.9	Very high	36 Å²	36	88.2 Å²	88.2	14%	0.141	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	133.2	174.7	179	-87.7	0	0	0	109.9	L151 G152 D181 P182 T190 T193 E195	L151-Y174 VanDerWaalsContact C-CD2 3.47Å; L151-Y174 VanDerWaalsContact C-CE2 3.44Å; L151-Y174 VanDerWaalsContact O-CD2 3.31Å; L151-Y174 WeakPolarHBondContact O-CD2 3.37Å; L151-Y174 WeakPolarHBondContact O-CE2 3.44Å; G152-Y174 VanDerWaalsContact CA-CZ 3.45Å; G152-Y174 WeakPolarHBondContact CA-OH 3.29Å; Y174-D181 WeakPolarHBondContact CE1-OD1 3.48Å; Y174-D181 PolarHBondContact OH-OD1 3.23Å; Y174-P182 WeakPolarHBondContact OH-CD 3.32Å; Y174-T190 HydrophobicContact CE2-CG2 4.11Å; Y174-T193 HydrophobicContact CD2-CG2 3.77Å; Y174-T193 HydrophobicContact CE2-CG2 3.86Å; Y174-E195 PolarHBondContact N-OE2 3.37Å
175	P	95.8	Very high	94.2	Very high	38 Å²	38	89.9 Å²	89.9	25%	0.247	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96	12.6	15.6	37.7	-36.7	0	0	0	116.3	L178 T193	P175-L178 CarbonylContact C-O 3.53Å; P175-L178 HydrophobicContact CB-CB 4.26Å; P175-L178 WeakPolarHBondContact O-CA 3.47Å; P175-L178 WeakPolarHBondContact O-CB 3.2Å; P175-L178 PolarHBondContact O-N 2.97Å; P175-T193 WeakPolarHBondContact O-CG2 3.28Å
176	W	97.2	Very high	93.7	Very high	93 Å²	93	90.7 Å²	90.7	35%	0.352	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	135.3	-174.5	-171.9	94.6	0	0	0	113	F172 Q173 T193 Y194 Y246	F172-W176 AromaticContact CD1-CD2 3.88Å; F172-W176 HydrophobicContact CD1-CD2 3.88Å; F172-W176 AromaticContact CD1-CE3 3.83Å; F172-W176 HydrophobicContact CD1-CE3 3.83Å; F172-W176 HydrophobicContact CD1-CH2 4.03Å; F172-W176 HydrophobicContact CD1-CZ2 4.09Å; F172-W176 AromaticContact CD1-CZ3 3.91Å; F172-W176 HydrophobicContact CD1-CZ3 3.91Å; F172-W176 HydrophobicContact CE1-CH2 4.02Å; F172-W176 AromaticContact CE1-CZ2 3.95Å; F172-W176 HydrophobicContact CE1-CZ2 3.95Å; F172-W176 HydrophobicContact CE1-CZ3 4.35Å; Q173-W176 WeakPolarHBondContact O-CB 3.09Å; Q173-W176 PolarHBondContact O-N 2.65Å; W176-T193 WeakPolarHBondContact O-CA 3.11Å; W176-T193 WeakPolarHBondContact O-CB 3.2Å; W176-Y194 VanDerWaalsContact CE3-CB 3.45Å; W176-Y194 HydrophobicContact CE3-CD2 4.4Å; W176-Y194 HydrophobicContact CE3-CG 4.25Å; W176-Y194 AromaticContact CZ3-CD2 3.86Å; W176-Y194 HydrophobicContact CZ3-CD2 3.86Å; W176-Y194 HydrophobicContact CZ3-CG 4.16Å; W176-Y194 PolarHBondContact O-N 2.94Å; W176-Y246 AromaticContact CH2-CD1 3.98Å; W176-Y246 HydrophobicContact CH2-CD1 3.98Å; W176-Y246 AromaticContact CH2-CE1 3.79Å; W176-Y246 HydrophobicContact CH2-CE1 3.79Å; W176-Y246 AromaticContact CZ3-CD1 3.8Å; W176-Y246 HydrophobicContact CZ3-CD1 3.8Å; W176-Y246 AromaticContact CZ3-CE1 3.5Å; W176-Y246 HydrophobicContact CZ3-CE1 3.5Å; W176-Y246 HydrophobicContact CZ3-CE2 4.48Å; W176-Y246 HydrophobicContact CZ3-CG 4.41Å; W176-Y246 AromaticContact CZ3-CZ 3.88Å
177	P	96.8	Very high	93.4	Very high	57 Å²	57	86.5 Å²	86.5	37%	0.37	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88	3.5	10.1	38	-38.6	0	0	0	114.6	A192 Y246	P177-A192 WeakPolarHBondContact CD-O 3.43Å; P177-Y246 WeakPolarHBondContact CD-OH 3.42Å; P177-Y246 WeakPolarHBondContact CG-OH 3.09Å
178	L	95.7	Very high	93	Very high	49 Å²	49	85.8 Å²	85.8	26%	0.257	43%	0.433	S	S	.	.	S	Bend	trans	-67.5	145.8	173.8	-46.9	175.2	0	0	0	109.1	P175 K180 P182 L189 T193	P175-L178 CarbonylContact C-O 3.53Å; P175-L178 HydrophobicContact CB-CB 4.26Å; P175-L178 WeakPolarHBondContact O-CA 3.47Å; P175-L178 WeakPolarHBondContact O-CB 3.2Å; P175-L178 PolarHBondContact O-N 2.97Å; L178-K180 WeakPolarHBondContact CB-O 3.36Å; L178-P182 HydrophobicContact CD1-CG 4.43Å; L178-L189 HydrophobicContact CD1-CB 4.36Å; L178-T193 HydrophobicContact CD1-CG2 3.85Å; L178-T193 HydrophobicContact CG-CG2 4.15Å
179	T	91.6	Very high	92.8	Very high	141 Å²	141	88.7 Å²	88.7	87%	0.865	45%	0.448	S	S	*	.	S	Bend	trans	-85.7	-13.9	178.2	52.2	0	0	0	0	112.9
180	K	91.3	Very high	92.7	Very high	159 Å²	159	84.8 Å²	84.8	69%	0.691	42%	0.423	S	S	*	.	S	Bend	trans	-157.2	165.7	179.1	61.9	176.8	-177.3	176.8	0	109.8	L178	L178-K180 WeakPolarHBondContact CB-O 3.36Å
181	D	91.5	Very high	92.6	Very high	100 Å²	100	77.9 Å²	77.9	54%	0.535	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59	137.1	172.2	-63.8	-25.2	0	0	0	111	Y174	Y174-D181 WeakPolarHBondContact CE1-OD1 3.48Å; Y174-D181 PolarHBondContact OH-OD1 3.23Å
182	P	89.7	Confident	92.6	Very high	29 Å²	29	72 Å²	72	19%	0.188	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-65.4	157.7	171.7	28.7	-31.3	0	0	0	110.5	Y174 L178 A186 L189 T190	Y174-P182 WeakPolarHBondContact OH-CD 3.32Å; L178-P182 HydrophobicContact CD1-CG 4.43Å; P182-A186 HydrophobicContact CB-CB 4.13Å; P182-A186 VanDerWaalsContact CB-O 3.29Å; P182-A186 WeakPolarHBondContact CB-O 3.08Å; P182-L189 HydrophobicContact CB-CB 4.14Å; P182-L189 HydrophobicContact CB-CD1 4.36Å; P182-L189 HydrophobicContact CG-CB 4.37Å; P182-T190 HydrophobicContact CG-CG2 3.9Å
183	S	87.1	Confident	92.6	Very high	68 Å²	68	68.2 Å²	68.2	48%	0.476	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64	162.1	170.8	56.1	0	0	0	0	110.6	S185 A186 W187	S183-S185 PolarHBondContact O-N 2.84Å; S183-S185 VanDerWaalsContact O-N 3.17Å; S183-S185 PolarHBondContact OG-OG 3.48Å; S183-A186 CarbonylContact O-C 3.34Å; S183-A186 WeakPolarHBondContact O-CA 3.46Å; S183-A186 PolarHBondContact O-N 3.34Å; S183-A186 PolarHBondContact OG-N 2.97Å; S183-W187 PolarHBondContact O-N 2.91Å; S183-W187 VanDerWaalsContact O-N 3.11Å
184	Q	84	Confident	92.7	Very high	183 Å²	183	67.7 Å²	67.7	86%	0.855	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-55	-34.9	173.5	-174.5	176.2	60.5	0	0	112.3	A186	Q184-A186 VanDerWaalsContact C-N 3.25Å; Q184-A186 PolarHBondContact O-N 3.11Å
185	S	83.7	Confident	92.7	Very high	100 Å²	100	66 Å²	66	70%	0.699	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-71.5	-15.4	175.3	56.7	0	0	0	0	114.7	S183	S183-S185 PolarHBondContact O-N 2.84Å; S183-S185 VanDerWaalsContact O-N 3.17Å; S183-S185 PolarHBondContact OG-OG 3.48Å
186	A	88.4	Confident	92.8	Very high	18 Å²	18	64.2 Å²	64.2	15%	0.149	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-119.1	22.1	-179	0	0	0	0	0	111.6	P182 S183 Q184 F188 L189	P182-A186 HydrophobicContact CB-CB 4.13Å; P182-A186 VanDerWaalsContact CB-O 3.29Å; P182-A186 WeakPolarHBondContact CB-O 3.08Å; S183-A186 CarbonylContact O-C 3.34Å; S183-A186 WeakPolarHBondContact O-CA 3.46Å; S183-A186 PolarHBondContact O-N 3.34Å; S183-A186 PolarHBondContact OG-N 2.97Å; Q184-A186 VanDerWaalsContact C-N 3.25Å; Q184-A186 PolarHBondContact O-N 3.11Å; A186-F188 PolarHBondContact O-N 3.2Å; A186-F188 VanDerWaalsContact O-N 3.1Å; A186-L189 HydrophobicContact CB-CD1 3.9Å; A186-L189 HydrophobicContact CB-CG 4.3Å; A186-L189 VanDerWaalsContact O-CB 3.28Å; A186-L189 WeakPolarHBondContact O-CB 3.25Å; A186-L189 WeakPolarHBondContact O-CG 3.49Å; A186-L189 PolarHBondContact O-N 2.86Å
187	W	90	Very high	92.8	Very high	83 Å²	83	59.9 Å²	59.9	31%	0.314	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-54.7	-31.6	-176.3	72.5	-93.3	0	0	0	112.3	D145 S183 L189 T190 Y191	D145-W187 HydrophobicContact CB-CH2 4.09Å; D145-W187 HydrophobicContact CB-CZ3 4.23Å; S183-W187 PolarHBondContact O-N 2.91Å; S183-W187 VanDerWaalsContact O-N 3.11Å; W187-L189 PolarHBondContact O-N 2.54Å; W187-L189 VanDerWaalsContact O-N 3.1Å; W187-T190 VanDerWaalsContact O-CB 3.25Å; W187-T190 WeakPolarHBondContact O-CB 3.38Å; W187-T190 WeakPolarHBondContact O-CG2 3.4Å; W187-T190 PolarHBondContact O-N 3.35Å; W187-T190 PolarHBondContact O-OG1 3.4Å; W187-Y191 HydrophobicContact CH2-CE2 4.04Å; W187-Y191 HydrophobicContact CZ3-CD2 4.46Å; W187-Y191 AromaticContact CZ3-CE2 3.63Å; W187-Y191 HydrophobicContact CZ3-CE2 3.63Å
188	F	90.6	Very high	92.9	Very high	95 Å²	95	58.9 Å²	58.9	42%	0.417	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-59.7	-21.7	177.5	64.1	-95.3	0	0	0	113.1	A186 T190 Y191	A186-F188 PolarHBondContact O-N 3.2Å; A186-F188 VanDerWaalsContact O-N 3.1Å; F188-T190 PolarHBondContact O-N 3.19Å; F188-T190 VanDerWaalsContact O-N 3.15Å; F188-Y191 WeakPolarHBondContact O-CD2 3.21Å; F188-Y191 PolarHBondContact O-N 3.46Å; F188-Y191 VanDerWaalsContact O-N 3.16Å
189	L	93.4	Very high	93	Very high	69 Å²	69	56.6 Å²	56.6	36%	0.361	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.7	-16	173.2	-64.8	179.4	0	0	0	112.8	L178 P182 A186 W187 Y191 A192	L178-L189 HydrophobicContact CD1-CB 4.36Å; P182-L189 HydrophobicContact CB-CB 4.14Å; P182-L189 HydrophobicContact CB-CD1 4.36Å; P182-L189 HydrophobicContact CG-CB 4.37Å; A186-L189 HydrophobicContact CB-CD1 3.9Å; A186-L189 HydrophobicContact CB-CG 4.3Å; A186-L189 VanDerWaalsContact O-CB 3.28Å; A186-L189 WeakPolarHBondContact O-CB 3.25Å; A186-L189 WeakPolarHBondContact O-CG 3.49Å; A186-L189 PolarHBondContact O-N 2.86Å; W187-L189 PolarHBondContact O-N 2.54Å; W187-L189 VanDerWaalsContact O-N 3.1Å; L189-Y191 PolarHBondContact O-N 2.85Å; L189-A192 WeakPolarHBondContact O-CB 3.16Å; L189-A192 PolarHBondContact O-N 3.02Å
190	T	95.3	Very high	93.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.2	172.3	57.5	0	0	0	0	112.4	L151 Y174 P182 W187 F188 A192 T193 S196	L151-T190 VanDerWaalsContact O-CB 3.31Å; L151-T190 WeakPolarHBondContact O-CB 3.42Å; L151-T190 VanDerWaalsContact O-CG2 3.32Å; L151-T190 WeakPolarHBondContact O-CG2 3.11Å; Y174-T190 HydrophobicContact CE2-CG2 4.11Å; P182-T190 HydrophobicContact CG-CG2 3.9Å; W187-T190 VanDerWaalsContact O-CB 3.25Å; W187-T190 WeakPolarHBondContact O-CB 3.38Å; W187-T190 WeakPolarHBondContact O-CG2 3.4Å; W187-T190 PolarHBondContact O-N 3.35Å; W187-T190 PolarHBondContact O-OG1 3.4Å; F188-T190 PolarHBondContact O-N 3.19Å; F188-T190 VanDerWaalsContact O-N 3.15Å; T190-A192 PolarHBondContact O-N 3.45Å; T190-T193 WeakPolarHBondContact O-CB 3.49Å; T190-T193 WeakPolarHBondContact O-CG2 3.46Å; T190-T193 PolarHBondContact O-N 2.9Å; T190-T193 VanDerWaalsContact O-N 3.09Å; T190-T193 PolarHBondContact O-OG1 3.29Å; T190-S196 WeakPolarHBondContact O-CB 3.41Å
191	Y	95.6	Very high	93.6	Very high	39 Å²	39	43.1 Å²	43.1	15%	0.153	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.1	174	-68.5	-65.7	0	0	0	113.5	Q144 G146 W187 F188 L189 T193 F200 P241	Q144-Y191 PolarHBondContact NE2-OH 2.9Å; Q144-Y191 PolarHBondContact OE1-OH 3.25Å; G146-Y191 PolarHBondContact N-OH 3.01Å; W187-Y191 HydrophobicContact CH2-CE2 4.04Å; W187-Y191 HydrophobicContact CZ3-CD2 4.46Å; W187-Y191 AromaticContact CZ3-CE2 3.63Å; W187-Y191 HydrophobicContact CZ3-CE2 3.63Å; F188-Y191 WeakPolarHBondContact O-CD2 3.21Å; F188-Y191 PolarHBondContact O-N 3.46Å; F188-Y191 VanDerWaalsContact O-N 3.16Å; L189-Y191 PolarHBondContact O-N 2.85Å; Y191-T193 PolarHBondContact O-N 3.16Å; Y191-F200 HydrophobicContact CD1-CE2 4.11Å; Y191-F200 AromaticContact CE1-CE2 3.97Å; Y191-F200 HydrophobicContact CE1-CE2 3.97Å; Y191-F200 AromaticContact CE1-CZ 3.99Å; Y191-F200 HydrophobicContact CE1-CZ 3.99Å; Y191-P241 HydrophobicContact CD1-CB 3.7Å; Y191-P241 HydrophobicContact CD1-CG 3.72Å; Y191-P241 HydrophobicContact CE1-CB 4.07Å; Y191-P241 HydrophobicContact CE1-CG 3.77Å; Y191-P241 HydrophobicContact CG-CB 4.41Å
192	A	95.3	Very high	93.9	Very high	41 Å²	41	38.7 Å²	38.7	34%	0.339	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-80.6	1.4	175.6	0	0	0	0	0	112.8	P177 L189 T190 Y246	P177-A192 WeakPolarHBondContact CD-O 3.43Å; L189-A192 WeakPolarHBondContact O-CB 3.16Å; L189-A192 PolarHBondContact O-N 3.02Å; T190-A192 PolarHBondContact O-N 3.45Å; A192-Y246 PolarHBondContact O-OH 3.36Å
193	T	97.7	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-86.1	149.2	179	68	0	0	0	0	111.8	Y174 P175 W176 L178 T190 Y191 E195 S196 A197	Y174-T193 HydrophobicContact CD2-CG2 3.77Å; Y174-T193 HydrophobicContact CE2-CG2 3.86Å; P175-T193 WeakPolarHBondContact O-CG2 3.28Å; W176-T193 WeakPolarHBondContact O-CA 3.11Å; W176-T193 WeakPolarHBondContact O-CB 3.2Å; L178-T193 HydrophobicContact CD1-CG2 3.85Å; L178-T193 HydrophobicContact CG-CG2 4.15Å; T190-T193 WeakPolarHBondContact O-CB 3.49Å; T190-T193 WeakPolarHBondContact O-CG2 3.46Å; T190-T193 PolarHBondContact O-N 2.9Å; T190-T193 VanDerWaalsContact O-N 3.09Å; T190-T193 PolarHBondContact O-OG1 3.29Å; Y191-T193 PolarHBondContact O-N 3.16Å; T193-E195 PolarHBondContact O-N 2.97Å; T193-S196 PolarHBondContact O-N 3.36Å; T193-S196 VanDerWaalsContact OG1-CB 3.24Å; T193-S196 WeakPolarHBondContact OG1-CB 3.23Å; T193-S196 PolarHBondContact OG1-N 3.16Å; T193-A197 PolarHBondContact O-N 3.29Å
194	Y	98.1	Very high	94.8	Very high	24 Å²	24	34.5 Å²	34.5	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-42.1	180	-176.1	-76.1	0	0	0	111.9	P168 F172 W176 S196 A197 H198 Y246	P168-Y194 HydrophobicContact CB-CD1 3.87Å; P168-Y194 HydrophobicContact CB-CE1 3.58Å; P168-Y194 HydrophobicContact CG-CD1 4.09Å; P168-Y194 HydrophobicContact CG-CE1 4.29Å; F172-Y194 HydrophobicContact CB-CD1 3.69Å; F172-Y194 HydrophobicContact CB-CD2 4.49Å; F172-Y194 HydrophobicContact CB-CE1 4.08Å; F172-Y194 HydrophobicContact CB-CG 3.94Å; F172-Y194 HydrophobicContact CD1-CD2 4.49Å; F172-Y194 HydrophobicContact CG-CD1 4.48Å; F172-Y194 HydrophobicContact CG-CG 4.49Å; W176-Y194 VanDerWaalsContact CE3-CB 3.45Å; W176-Y194 HydrophobicContact CE3-CD2 4.4Å; W176-Y194 HydrophobicContact CE3-CG 4.25Å; W176-Y194 AromaticContact CZ3-CD2 3.86Å; W176-Y194 HydrophobicContact CZ3-CD2 3.86Å; W176-Y194 HydrophobicContact CZ3-CG 4.16Å; W176-Y194 PolarHBondContact O-N 2.94Å; Y194-S196 VanDerWaalsContact C-N 3.28Å; Y194-S196 PolarHBondContact O-N 3.24Å; Y194-A197 PolarHBondContact O-N 3.36Å; Y194-H198 HydrophobicContact CD1-CB 4.22Å; Y194-H198 HydrophobicContact CE1-CB 4.11Å; Y194-H198 WeakPolarHBondContact O-CB 3.43Å; Y194-H198 PolarHBondContact O-N 3.27Å; Y194-Y246 HydrophobicContact CD2-CD1 4.23Å; Y194-Y246 AromaticContact CD2-CD2 3.58Å; Y194-Y246 HydrophobicContact CD2-CD2 3.58Å; Y194-Y246 HydrophobicContact CD2-CE2 4.31Å; Y194-Y246 AromaticContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CE2-CD2 4.39Å; Y194-Y246 HydrophobicContact CE2-CG 4.11Å; Y194-Y246 HydrophobicContact CG-CD2 4.18Å
195	E	98	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-34.1	-179.4	-166.4	168.1	-174.6	0	0	112	R150 L151 R167 P168 Q173 Y174 T193 A199	R150-E195 IonicContact CZ-OE1 3.31Å; R150-E195 IonicContact NE-OE1 2.61Å; R150-E195 PolarHBondContact NE-OE1 2.84Å; R150-E195 IonicContact NH2-OE1 3.19Å; R150-E195 PolarHBondContact NH2-OE1 3.2Å; L151-E195 HydrophobicContact CD2-CB 3.97Å; L151-E195 HydrophobicContact CD2-CG 3.63Å; R167-E195 IonicContact CZ-OE1 3.8Å; R167-E195 IonicContact CZ-OE2 3.52Å; R167-E195 IonicContact NE-OE1 3.6Å; R167-E195 PolarHBondContact NE-OE1 2.96Å; R167-E195 IonicContact NE-OE2 3.95Å; R167-E195 IonicContact NH2-OE1 2.87Å; R167-E195 PolarHBondContact NH2-OE1 2.87Å; R167-E195 VanDerWaalsContact NH2-OE1 3.09Å; R167-E195 IonicContact NH2-OE2 3.92Å; R167-E195 PolarHBondContact NH2-OE2 2.91Å; P168-E195 HydrophobicContact CG-CB 4.06Å; P168-E195 HydrophobicContact CG-CG 3.88Å; Q173-E195 VanDerWaalsContact CA-OE2 3.28Å; Q173-E195 WeakPolarHBondContact CA-OE2 3.21Å; Q173-E195 VanDerWaalsContact CB-OE2 3.27Å; Q173-E195 WeakPolarHBondContact CB-OE2 3.13Å; Y174-E195 PolarHBondContact N-OE2 3.37Å; T193-E195 PolarHBondContact O-N 2.97Å; E195-A199 WeakPolarHBondContact O-CB 3.35Å; E195-A199 PolarHBondContact O-N 3.21Å
196	S	97.8	Very high	96.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-54.9	171.8	-176.4	0	0	0	0	111	T190 T193 Y194 H198 A199 F200	T190-S196 WeakPolarHBondContact O-CB 3.41Å; T193-S196 PolarHBondContact O-N 3.36Å; T193-S196 VanDerWaalsContact OG1-CB 3.24Å; T193-S196 WeakPolarHBondContact OG1-CB 3.23Å; T193-S196 PolarHBondContact OG1-N 3.16Å; Y194-S196 VanDerWaalsContact C-N 3.28Å; Y194-S196 PolarHBondContact O-N 3.24Å; S196-H198 PolarHBondContact O-N 3.38Å; S196-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 3.03Å; S196-F200 VanDerWaalsContact O-CD2 3.28Å; S196-F200 WeakPolarHBondContact O-CD2 3.28Å; S196-F200 PolarHBondContact O-N 3.02Å
197	A	97.9	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-36.1	179.7	0	0	0	0	0	112.5	T193 Y194 E201 G243 N244 F245 Y246	T193-A197 PolarHBondContact O-N 3.29Å; Y194-A197 PolarHBondContact O-N 3.36Å; A197-E201 WeakPolarHBondContact O-CB 3.49Å; A197-E201 PolarHBondContact O-N 3.46Å; A197-G243 CarbonylContact O-C 3.56Å; A197-N244 HydrophobicContact CB-CB 4.39Å; A197-N244 PolarHBondContact O-N 3.37Å; A197-F245 HydrophobicContact CB-CD1 4.14Å; A197-F245 HydrophobicContact CB-CE1 3.83Å; A197-F245 HydrophobicContact CB-CZ 4.45Å; A197-Y246 HydrophobicContact CB-CD2 4.39Å
198	H	98.3	Very high	96.7	Very high	37 Å²	37	32 Å²	32	17%	0.171	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-41.9	173.1	175	80.4	0	0	0	113.1	K166 Y194 S196 S202	K166-H198 PolarHBondContact O-NE2 3.3Å; Y194-H198 HydrophobicContact CD1-CB 4.22Å; Y194-H198 HydrophobicContact CE1-CB 4.11Å; Y194-H198 WeakPolarHBondContact O-CB 3.43Å; Y194-H198 PolarHBondContact O-N 3.27Å; S196-H198 PolarHBondContact O-N 3.38Å; H198-S202 WeakPolarHBondContact O-CB 3.17Å; H198-S202 PolarHBondContact O-N 3.08Å; H198-S202 PolarHBondContact O-OG 3.49Å
199	A	98.2	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-48.6	178.2	0	0	0	0	0	111.5	L147 L151 I165 E195 S196 S202 I203	L147-A199 HydrophobicContact CD2-CB 4.04Å; L151-A199 HydrophobicContact CD1-CB 4.1Å; I165-A199 HydrophobicContact CD1-CB 4.3Å; I165-A199 HydrophobicContact CG2-CB 4.35Å; E195-A199 WeakPolarHBondContact O-CB 3.35Å; E195-A199 PolarHBondContact O-N 3.21Å; S196-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 3.03Å; A199-S202 WeakPolarHBondContact O-CB 3.42Å; A199-S202 PolarHBondContact O-N 3.27Å; A199-S202 VanDerWaalsContact O-N 3.17Å; A199-I203 WeakPolarHBondContact O-CG1 3.48Å; A199-I203 PolarHBondContact O-N 2.92Å
200	F	97.7	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-41.4	178.7	-75.3	-77.8	0	0	0	112.7	L147 Y191 S196 S202 I203 Y204 P241	L147-F200 HydrophobicContact CB-CE1 4.46Å; L147-F200 HydrophobicContact CB-CE2 4.17Å; L147-F200 HydrophobicContact CB-CZ 3.73Å; L147-F200 HydrophobicContact CD1-CE1 4.36Å; L147-F200 HydrophobicContact CD1-CZ 4.43Å; L147-F200 HydrophobicContact CD2-CZ 4.38Å; L147-F200 HydrophobicContact CG-CZ 4.42Å; Y191-F200 HydrophobicContact CD1-CE2 4.11Å; Y191-F200 AromaticContact CE1-CE2 3.97Å; Y191-F200 HydrophobicContact CE1-CE2 3.97Å; Y191-F200 AromaticContact CE1-CZ 3.99Å; Y191-F200 HydrophobicContact CE1-CZ 3.99Å; S196-F200 VanDerWaalsContact O-CD2 3.28Å; S196-F200 WeakPolarHBondContact O-CD2 3.28Å; S196-F200 PolarHBondContact O-N 3.02Å; F200-S202 VanDerWaalsContact C-N 3.3Å; F200-S202 PolarHBondContact O-N 3.15Å; F200-I203 WeakPolarHBondContact O-CB 2.89Å; F200-I203 PolarHBondContact O-N 3.43Å; F200-Y204 HydrophobicContact CB-CE2 3.96Å; F200-Y204 HydrophobicContact CD1-CE1 4.46Å; F200-Y204 VanDerWaalsContact O-CD2 3.27Å; F200-Y204 WeakPolarHBondContact O-CD2 3.35Å; F200-Y204 PolarHBondContact O-N 3.49Å; F200-P241 HydrophobicContact CB-CG 4.19Å; F200-P241 HydrophobicContact CD1-CG 3.57Å; F200-P241 HydrophobicContact CD2-CG 3.32Å; F200-P241 VanDerWaalsContact CE1-CD 3.48Å; F200-P241 HydrophobicContact CE1-CG 3.63Å; F200-P241 HydrophobicContact CE2-CG 3.42Å; F200-P241 VanDerWaalsContact CE2-CG 3.42Å; F200-P241 HydrophobicContact CG-CG 3.4Å; F200-P241 VanDerWaalsContact CG-CG 3.4Å; F200-P241 HydrophobicContact CZ-CG 3.56Å
201	E	97.4	Very high	97.4	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-39.7	172.6	-178.8	121.7	-145.9	0	0	112.2	A197 I203 Y204 K205 N244 L251	A197-E201 WeakPolarHBondContact O-CB 3.49Å; A197-E201 PolarHBondContact O-N 3.46Å; E201-I203 VanDerWaalsContact C-N 3.28Å; E201-I203 PolarHBondContact O-N 2.9Å; E201-Y204 PolarHBondContact O-N 3.06Å; E201-K205 HydrophobicContact CG-CD 3.82Å; E201-K205 HydrophobicContact CG-CG 4.3Å; E201-K205 WeakPolarHBondContact O-CB 3.28Å; E201-K205 PolarHBondContact O-N 2.88Å; E201-K205 WeakPolarHBondContact OE1-CE 3.41Å; E201-K205 IonicContact OE1-NZ 3.99Å; E201-K205 PolarHBondContact OE1-NZ 2.67Å; E201-N244 HydrophobicContact CB-CB 3.87Å; E201-N244 HydrophobicContact CG-CB 4.27Å; E201-N244 WeakPolarHBondContact OE2-CA 3.21Å; E201-N244 WeakPolarHBondContact OE2-CB 3.26Å; E201-N244 PolarHBondContact OE2-N 3.17Å; E201-L251 VanDerWaalsContact OE2-CD1 3.24Å; E201-L251 WeakPolarHBondContact OE2-CD1 3.32Å
202	S	98	Very high	97.6	Very high	8 Å²	8	29.3 Å²	29.3	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-41.3	176.5	-62.2	0	0	0	0	111.4	H198 A199 F200 N206 V207	H198-S202 WeakPolarHBondContact O-CB 3.17Å; H198-S202 PolarHBondContact O-N 3.08Å; H198-S202 PolarHBondContact O-OG 3.49Å; A199-S202 WeakPolarHBondContact O-CB 3.42Å; A199-S202 PolarHBondContact O-N 3.27Å; A199-S202 VanDerWaalsContact O-N 3.17Å; F200-S202 VanDerWaalsContact C-N 3.3Å; F200-S202 PolarHBondContact O-N 3.15Å; S202-N206 PolarHBondContact O-N 3.16Å; S202-V207 PolarHBondContact O-N 2.85Å
203	I	98	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-55.4	173.5	-65.9	168.5	0	0	0	110	L147 F161 I165 A199 F200 E201 K205 N206 L210 W211 F214 F264	L147-I203 HydrophobicContact CD1-CD1 4.09Å; L147-I203 HydrophobicContact CD2-CD1 3.97Å; F161-I203 HydrophobicContact CE1-CD1 4.26Å; F161-I203 HydrophobicContact CZ-CD1 4.3Å; F161-I203 HydrophobicContact CZ-CG1 4.23Å; I165-I203 HydrophobicContact CD1-CD1 4.44Å; I165-I203 HydrophobicContact CD1-CG1 4.29Å; A199-I203 WeakPolarHBondContact O-CG1 3.48Å; A199-I203 PolarHBondContact O-N 2.92Å; F200-I203 WeakPolarHBondContact O-CB 2.89Å; F200-I203 PolarHBondContact O-N 3.43Å; E201-I203 VanDerWaalsContact C-N 3.28Å; E201-I203 PolarHBondContact O-N 2.9Å; I203-K205 PolarHBondContact O-N 3.05Å; I203-N206 PolarHBondContact O-N 2.8Å; I203-L210 HydrophobicContact CG1-CD1 4.35Å; I203-W211 PolarHBondContact O-NE1 3.38Å; I203-F214 HydrophobicContact CD1-CE2 4.2Å; I203-F214 HydrophobicContact CD1-CZ 4.31Å; I203-F214 HydrophobicContact CG1-CE2 4.24Å; I203-F214 HydrophobicContact CG2-CD2 4.32Å; I203-F214 HydrophobicContact CG2-CE2 3.56Å; I203-F214 HydrophobicContact CG2-CZ 4.03Å; I203-F264 HydrophobicContact CG2-CE1 4.47Å; I203-F264 HydrophobicContact CG2-CE2 4.33Å; I203-F264 HydrophobicContact CG2-CZ 4.12Å
204	Y	97.3	Very high	97.7	Very high	9 Å²	9	29.4 Å²	29.4	4%	0.035	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-28.4	-175.2	-54.3	-27.8	0	0	0	113.2	F200 E201 W211 P240 P241 L261 F264	F200-Y204 HydrophobicContact CB-CE2 3.96Å; F200-Y204 HydrophobicContact CD1-CE1 4.46Å; F200-Y204 VanDerWaalsContact O-CD2 3.27Å; F200-Y204 WeakPolarHBondContact O-CD2 3.35Å; F200-Y204 PolarHBondContact O-N 3.49Å; E201-Y204 PolarHBondContact O-N 3.06Å; Y204-W211 WeakPolarHBondContact O-CZ2 3.49Å; Y204-P240 WeakPolarHBondContact OH-CB 3.44Å; Y204-P241 WeakPolarHBondContact CE2-O 3.41Å; Y204-P241 PolarHBondContact OH-O 3.3Å; Y204-L261 HydrophobicContact CD1-CD2 3.83Å; Y204-L261 HydrophobicContact CE1-CD2 3.33Å; Y204-L261 HydrophobicContact CE1-CG 4.45Å; Y204-L261 HydrophobicContact CE2-CD2 4.1Å; Y204-L261 HydrophobicContact CG-CD2 4.43Å; Y204-L261 VanDerWaalsContact CZ-CD2 3.47Å; Y204-F264 HydrophobicContact CD1-CD1 4.29Å
205	K	96.6	Very high	97.8	Very high	128 Å²	128	28.3 Å²	28.3	56%	0.557	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	5.6	176.6	-73	-176.3	165.6	161.7	0	114.4	E201 I203 V207	E201-K205 HydrophobicContact CG-CD 3.82Å; E201-K205 HydrophobicContact CG-CG 4.3Å; E201-K205 WeakPolarHBondContact O-CB 3.28Å; E201-K205 PolarHBondContact O-N 2.88Å; E201-K205 WeakPolarHBondContact OE1-CE 3.41Å; E201-K205 IonicContact OE1-NZ 3.99Å; E201-K205 PolarHBondContact OE1-NZ 2.67Å; I203-K205 PolarHBondContact O-N 3.05Å; K205-V207 HydrophobicContact CB-CG2 4.11Å; K205-V207 PolarHBondContact O-N 3.42Å
206	N	97.7	Very high	97.8	Very high	53 Å²	53	31.4 Å²	31.4	28%	0.283	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	35.2	-177.6	-164.3	20	0	0	0	113.5	S202 I203 S208 G209 L210 W211	S202-N206 PolarHBondContact O-N 3.16Å; I203-N206 PolarHBondContact O-N 2.8Å; N206-S208 PolarHBondContact O-N 2.9Å; N206-G209 PolarHBondContact O-N 3.34Å; N206-G209 VanDerWaalsContact O-N 3.07Å; N206-G209 WeakPolarHBondContact OD1-CA 3.43Å; N206-L210 PolarHBondContact OD1-N 2.87Å; N206-L210 VanDerWaalsContact OD1-N 3.11Å; N206-W211 HydrophobicContact CB-CB 4.47Å; N206-W211 HydrophobicContact CB-CD2 3.55Å; N206-W211 HydrophobicContact CB-CE3 4.07Å; N206-W211 HydrophobicContact CB-CG 3.7Å; N206-W211 HydrophobicContact CB-CZ2 4.24Å; N206-W211 VanDerWaalsContact CG-CG 3.41Å; N206-W211 WeakPolarHBondContact OD1-CB 3.16Å; N206-W211 VanDerWaalsContact OD1-CG 3.3Å; N206-W211 PolarHBondContact OD1-N 3.06Å
207	V	97.5	Very high	97.8	Very high	60 Å²	60	31.4 Å²	31.4	36%	0.364	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-57.6	134	179.6	174.6	0	0	0	0	108.6	S202 K205 G209 L210	S202-V207 PolarHBondContact O-N 2.85Å; K205-V207 HydrophobicContact CB-CG2 4.11Å; K205-V207 PolarHBondContact O-N 3.42Å; V207-G209 PolarHBondContact O-N 3.04Å; V207-L210 HydrophobicContact CB-CD1 4.41Å; V207-L210 VanDerWaalsContact O-CD1 3.25Å; V207-L210 WeakPolarHBondContact O-CD1 3.24Å; V207-L210 WeakPolarHBondContact O-CG 3.3Å; V207-L210 PolarHBondContact O-N 3.14Å
208	S	94.3	Very high	97.9	Very high	91 Å²	91	31.3 Å²	31.3	64%	0.636	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	56.3	20.7	-178.5	-52.8	0	0	0	0	115.3	N206	N206-S208 PolarHBondContact O-N 2.9Å
209	G	97.7	Very high	97.9	Very high	19 Å²	19	34.6 Å²	34.6	20%	0.196	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	75.1	25.6	-179.5	0	0	0	0	0	114.3	N206 V207 W211 N212	N206-G209 PolarHBondContact O-N 3.34Å; N206-G209 VanDerWaalsContact O-N 3.07Å; N206-G209 WeakPolarHBondContact OD1-CA 3.43Å; V207-G209 PolarHBondContact O-N 3.04Å; G209-W211 PolarHBondContact O-N 3.38Å; G209-W211 VanDerWaalsContact O-N 3.09Å; G209-N212 WeakPolarHBondContact O-CB 3.38Å; G209-N212 PolarHBondContact O-N 2.83Å
210	L	98.5	Very high	97.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.8	-178.1	-76.6	162.3	0	0	0	114.1	F161 K164 I165 I203 N206 V207 N212 Y213	F161-L210 HydrophobicContact CD2-CD2 4.23Å; F161-L210 HydrophobicContact CE2-CD2 3.53Å; F161-L210 HydrophobicContact CZ-CD2 3.7Å; K164-L210 HydrophobicContact CB-CD2 4.06Å; I165-L210 HydrophobicContact CD1-CD1 4.41Å; I165-L210 HydrophobicContact CD1-CD2 4.44Å; I165-L210 HydrophobicContact CG1-CD1 3.91Å; I165-L210 HydrophobicContact CG1-CD2 3.77Å; I203-L210 HydrophobicContact CG1-CD1 4.35Å; N206-L210 PolarHBondContact OD1-N 2.87Å; N206-L210 VanDerWaalsContact OD1-N 3.11Å; V207-L210 HydrophobicContact CB-CD1 4.41Å; V207-L210 VanDerWaalsContact O-CD1 3.25Å; V207-L210 WeakPolarHBondContact O-CD1 3.24Å; V207-L210 WeakPolarHBondContact O-CG 3.3Å; V207-L210 PolarHBondContact O-N 3.14Å; L210-N212 PolarHBondContact O-N 2.72Å; L210-Y213 HydrophobicContact CD2-CD2 4.45Å; L210-Y213 PolarHBondContact O-N 3.11Å
211	W	98.4	Very high	98	Very high	36 Å²	36	36 Å²	36	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-27.1	176.9	-69.6	2.1	0	0	0	113.1	I203 Y204 N206 G209 Y213 F214 A215 L263 F264 Y267	I203-W211 PolarHBondContact O-NE1 3.38Å; Y204-W211 WeakPolarHBondContact O-CZ2 3.49Å; N206-W211 HydrophobicContact CB-CB 4.47Å; N206-W211 HydrophobicContact CB-CD2 3.55Å; N206-W211 HydrophobicContact CB-CE3 4.07Å; N206-W211 HydrophobicContact CB-CG 3.7Å; N206-W211 HydrophobicContact CB-CZ2 4.24Å; N206-W211 VanDerWaalsContact CG-CG 3.41Å; N206-W211 WeakPolarHBondContact OD1-CB 3.16Å; N206-W211 VanDerWaalsContact OD1-CG 3.3Å; N206-W211 PolarHBondContact OD1-N 3.06Å; G209-W211 PolarHBondContact O-N 3.38Å; G209-W211 VanDerWaalsContact O-N 3.09Å; W211-Y213 VanDerWaalsContact C-N 3.28Å; W211-Y213 PolarHBondContact O-N 3.37Å; W211-F214 PolarHBondContact O-N 2.98Å; W211-A215 WeakPolarHBondContact O-CB 3.47Å; W211-A215 PolarHBondContact O-N 3.16Å; W211-L263 HydrophobicContact CH2-CB 4.34Å; W211-F264 AromaticContact CD1-CD2 3.53Å; W211-F264 AromaticContact CD1-CE2 3.8Å; W211-F264 HydrophobicContact CD2-CD2 4.23Å; W211-F264 AromaticContact CE2-CD2 3.74Å; W211-F264 HydrophobicContact CG-CD2 4.11Å; W211-F264 HydrophobicContact CG-CE2 4.42Å; W211-F264 HydrophobicContact CZ2-CB 3.89Å; W211-F264 HydrophobicContact CZ2-CD2 4.39Å; W211-F264 AromaticContact NE1-CD2 3.29Å; W211-F264 VanDerWaalsContact NE1-CD2 3.29Å; W211-Y267 HydrophobicContact CB-CD1 3.71Å; W211-Y267 HydrophobicContact CB-CE1 3.5Å; W211-Y267 VanDerWaalsContact CB-CE1 3.5Å; W211-Y267 HydrophobicContact CB-CG 4.48Å; W211-Y267 HydrophobicContact CD2-CD1 4.02Å; W211-Y267 HydrophobicContact CD2-CG 4.07Å; W211-Y267 VanDerWaalsContact CE3-CB 3.5Å; W211-Y267 AromaticContact CE3-CD1 3.7Å; W211-Y267 HydrophobicContact CE3-CD1 3.7Å; W211-Y267 AromaticContact CE3-CD2 3.66Å; W211-Y267 HydrophobicContact CE3-CD2 3.66Å; W211-Y267 HydrophobicContact CE3-CE1 4.36Å; W211-Y267 HydrophobicContact CE3-CE2 4.31Å; W211-Y267 AromaticContact CE3-CG 3.31Å; W211-Y267 HydrophobicContact CE3-CG 3.31Å; W211-Y267 HydrophobicContact CG-CD1 4.1Å; W211-Y267 HydrophobicContact CG-CE1 4.36Å; W211-Y267 HydrophobicContact CZ3-CD2 4.1Å; W211-Y267 AromaticContact CZ3-CG 3.82Å; W211-Y267 HydrophobicContact CZ3-CG 3.82Å; W211-Y267 WeakPolarHBondContact O-CE1 3.48Å
212	N	98.4	Very high	98	Very high	90 Å²	90	35.4 Å²	35.4	48%	0.481	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-32.4	178.1	-68.9	-36	0	0	0	112.5	G209 L210 A215 E216 Y267	G209-N212 WeakPolarHBondContact O-CB 3.38Å; G209-N212 PolarHBondContact O-N 2.83Å; L210-N212 PolarHBondContact O-N 2.72Å; N212-A215 WeakPolarHBondContact O-CB 3.18Å; N212-A215 PolarHBondContact O-N 2.62Å; N212-E216 PolarHBondContact O-N 2.69Å; N212-Y267 PolarHBondContact OD1-OH 2.64Å; N212-Y267 VanDerWaalsContact OD1-OH 3.07Å
213	Y	98.2	Very high	98	Very high	43 Å²	43	41.2 Å²	41.2	17%	0.169	21%	0.211	C	C	.	.	H	α-helix	trans	-74.9	-39.6	177.7	-54.9	-79.5	0	0	0	111.3	W106 W160 F161 K164 L210 W211 A215 E216 Y217	W106-Y213 VanDerWaalsContact CZ2-O 3.3Å; W106-Y213 WeakPolarHBondContact CZ2-O 3.22Å; W160-Y213 AromaticContact CH2-CD1 3.95Å; W160-Y213 HydrophobicContact CH2-CD1 3.95Å; W160-Y213 AromaticContact CZ3-CD1 3.49Å; W160-Y213 HydrophobicContact CZ3-CD1 3.49Å; W160-Y213 VanDerWaalsContact CZ3-CD1 3.49Å; W160-Y213 AromaticContact CZ3-CE1 3.88Å; W160-Y213 HydrophobicContact CZ3-CE1 3.88Å; W160-Y213 HydrophobicContact CZ3-CG 4.15Å; F161-Y213 HydrophobicContact CD2-CD2 4.19Å; F161-Y213 HydrophobicContact CD2-CG 4.08Å; F161-Y213 HydrophobicContact CE2-CD2 4.19Å; F161-Y213 HydrophobicContact CE2-CG 4.36Å; K164-Y213 HydrophobicContact CB-CE2 4.47Å; K164-Y213 HydrophobicContact CG-CE2 4.09Å; L210-Y213 HydrophobicContact CD2-CD2 4.45Å; L210-Y213 PolarHBondContact O-N 3.11Å; W211-Y213 VanDerWaalsContact C-N 3.28Å; W211-Y213 PolarHBondContact O-N 3.37Å; Y213-A215 VanDerWaalsContact C-N 3.32Å; Y213-E216 PolarHBondContact O-N 2.9Å; Y213-Y217 PolarHBondContact O-N 3.09Å
214	F	98.5	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-39.7	170.1	-82.6	-87.8	0	0	0	111.8	W106 F142 F161 I203 W211 E216 Y217 W218 F264 L268	W106-F214 HydrophobicContact CH2-CB 4.48Å; W106-F214 HydrophobicContact CH2-CD1 4.16Å; W106-F214 AromaticContact CH2-CD2 3.88Å; W106-F214 HydrophobicContact CH2-CD2 3.88Å; W106-F214 HydrophobicContact CH2-CE1 4.4Å; W106-F214 HydrophobicContact CH2-CE2 4.13Å; W106-F214 AromaticContact CH2-CG 3.9Å; W106-F214 HydrophobicContact CH2-CG 3.9Å; W106-F214 HydrophobicContact CH2-CZ 4.39Å; W106-F214 AromaticContact CZ3-CD1 3.85Å; W106-F214 HydrophobicContact CZ3-CD1 3.85Å; W106-F214 HydrophobicContact CZ3-CD2 4.05Å; W106-F214 AromaticContact CZ3-CE1 3.7Å; W106-F214 HydrophobicContact CZ3-CE1 3.7Å; W106-F214 AromaticContact CZ3-CE2 3.89Å; W106-F214 HydrophobicContact CZ3-CE2 3.89Å; W106-F214 HydrophobicContact CZ3-CG 4.03Å; W106-F214 AromaticContact CZ3-CZ 3.72Å; W106-F214 HydrophobicContact CZ3-CZ 3.72Å; F142-F214 HydrophobicContact CD1-CE1 4.18Å; F142-F214 AromaticContact CE1-CE1 3.7Å; F142-F214 HydrophobicContact CE1-CE1 3.7Å; F142-F214 HydrophobicContact CE1-CZ 4.26Å; F142-F214 AromaticContact CZ-CE1 3.91Å; F142-F214 HydrophobicContact CZ-CE1 3.91Å; F142-F214 HydrophobicContact CZ-CZ 4.37Å; F161-F214 HydrophobicContact CE1-CE2 4.47Å; F161-F214 HydrophobicContact CE2-CD2 4.34Å; F161-F214 HydrophobicContact CE2-CE2 4.18Å; F161-F214 HydrophobicContact CZ-CD2 4.23Å; F161-F214 AromaticContact CZ-CE2 3.63Å; F161-F214 HydrophobicContact CZ-CE2 3.63Å; F161-F214 HydrophobicContact CZ-CZ 4.45Å; I203-F214 HydrophobicContact CD1-CE2 4.2Å; I203-F214 HydrophobicContact CD1-CZ 4.31Å; I203-F214 HydrophobicContact CG1-CE2 4.24Å; I203-F214 HydrophobicContact CG2-CD2 4.32Å; I203-F214 HydrophobicContact CG2-CE2 3.56Å; I203-F214 HydrophobicContact CG2-CZ 4.03Å; W211-F214 PolarHBondContact O-N 2.98Å; F214-E216 VanDerWaalsContact C-N 3.29Å; F214-E216 PolarHBondContact O-N 3.46Å; F214-Y217 WeakPolarHBondContact O-CB 3.35Å; F214-Y217 PolarHBondContact O-N 3.35Å; F214-W218 VanDerWaalsContact O-CD1 3.25Å; F214-W218 PolarHBondContact O-N 3.33Å; F214-F264 HydrophobicContact CB-CE2 4.28Å; F214-F264 HydrophobicContact CB-CZ 4.45Å; F214-F264 HydrophobicContact CD1-CE2 4.46Å; F214-F264 AromaticContact CD1-CZ 3.83Å; F214-F264 HydrophobicContact CD1-CZ 3.83Å; F214-F264 HydrophobicContact CD2-CE2 4.15Å; F214-F264 HydrophobicContact CD2-CZ 4.08Å; F214-F264 AromaticContact CE1-CZ 3.98Å; F214-F264 HydrophobicContact CE1-CZ 3.98Å; F214-F264 HydrophobicContact CE2-CZ 4.21Å; F214-F264 HydrophobicContact CG-CE2 4.06Å; F214-F264 AromaticContact CG-CZ 3.88Å; F214-F264 HydrophobicContact CG-CZ 3.88Å; F214-F264 HydrophobicContact CZ-CZ 4.16Å; F214-L268 HydrophobicContact CB-CD2 3.66Å
215	A	98.6	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-41.5	174.4	0	0	0	0	0	111.7	W211 N212 Y213 W218 R219 Y267 V271	W211-A215 WeakPolarHBondContact O-CB 3.47Å; W211-A215 PolarHBondContact O-N 3.16Å; N212-A215 WeakPolarHBondContact O-CB 3.18Å; N212-A215 PolarHBondContact O-N 2.62Å; Y213-A215 VanDerWaalsContact C-N 3.32Å; A215-W218 PolarHBondContact O-N 3.13Å; A215-R219 WeakPolarHBondContact O-CB 3.08Å; A215-R219 VanDerWaalsContact O-CG 3.27Å; A215-R219 WeakPolarHBondContact O-CG 3.29Å; A215-R219 PolarHBondContact O-N 3.16Å; A215-Y267 HydrophobicContact CB-CE1 3.91Å; A215-V271 HydrophobicContact CB-CB 4.32Å; A215-V271 HydrophobicContact CB-CG1 3.85Å; A215-V271 HydrophobicContact CB-CG2 3.77Å
216	E	98.4	Very high	98.1	Very high	66 Å²	66	38 Å²	38	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-46.8	176.7	-170.6	-179.1	-163.3	0	0	112	K110 N212 Y213 F214 W218 R219 I220	K110-E216 WeakPolarHBondContact CE-OE1 3.46Å; K110-E216 VanDerWaalsContact CE-OE2 3.23Å; K110-E216 WeakPolarHBondContact CE-OE2 3.24Å; K110-E216 IonicContact NZ-OE1 3.29Å; K110-E216 PolarHBondContact NZ-OE1 2.88Å; K110-E216 IonicContact NZ-OE2 2.76Å; K110-E216 PolarHBondContact NZ-OE2 2.89Å; N212-E216 PolarHBondContact O-N 2.69Å; Y213-E216 PolarHBondContact O-N 2.9Å; F214-E216 VanDerWaalsContact C-N 3.29Å; F214-E216 PolarHBondContact O-N 3.46Å; E216-W218 VanDerWaalsContact C-N 3.32Å; E216-W218 PolarHBondContact O-N 3.37Å; E216-R219 PolarHBondContact O-N 2.84Å; E216-I220 HydrophobicContact CG-CD1 4.13Å; E216-I220 WeakPolarHBondContact O-CG1 3.34Å; E216-I220 PolarHBondContact O-N 3.18Å
217	Y	98.7	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-50.5	-53.9	172.8	172.3	-86.3	0	0	0	110.6	F104 W106 L109 F142 Y213 F214 R219 I220 T221	F104-Y217 WeakPolarHBondContact CB-OH 3.48Å; F104-Y217 HydrophobicContact CD1-CE1 4.49Å; F104-Y217 HydrophobicContact CD1-CE2 4.03Å; F104-Y217 AromaticContact CD1-CZ 3.71Å; F104-Y217 WeakPolarHBondContact CD1-OH 3.48Å; F104-Y217 HydrophobicContact CE1-CE2 4.42Å; F104-Y217 PolarHBondContact O-OH 2.97Å; W106-Y217 HydrophobicContact CB-CD2 3.82Å; W106-Y217 HydrophobicContact CB-CE2 3.8Å; W106-Y217 AromaticContact CD1-CD2 3.66Å; W106-Y217 HydrophobicContact CD2-CD2 4Å; W106-Y217 HydrophobicContact CD2-CG 4.46Å; W106-Y217 AromaticContact CG-CD2 3.58Å; W106-Y217 HydrophobicContact CG-CD2 3.58Å; W106-Y217 HydrophobicContact CG-CE2 4.1Å; W106-Y217 HydrophobicContact CG-CG 4.47Å; L109-Y217 HydrophobicContact CD2-CD2 3.53Å; L109-Y217 HydrophobicContact CD2-CE2 3.88Å; L109-Y217 HydrophobicContact CD2-CG 4.33Å; F142-Y217 HydrophobicContact CB-CE1 4.3Å; F142-Y217 HydrophobicContact CD2-CE1 4.05Å; F142-Y217 HydrophobicContact CD2-CE2 4.11Å; F142-Y217 AromaticContact CD2-CZ 3.78Å; Y213-Y217 PolarHBondContact O-N 3.09Å; F214-Y217 WeakPolarHBondContact O-CB 3.35Å; F214-Y217 PolarHBondContact O-N 3.35Å; Y217-R219 PolarHBondContact O-N 2.93Å; Y217-I220 PolarHBondContact O-N 3Å; Y217-T221 PolarHBondContact O-N 3.02Å; Y217-T221 PolarHBondContact O-OG1 2.81Å
218	W	98.8	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-31	-177.8	-76.4	113.4	0	0	0	114	F142 F214 A215 E216 T221 T222 Y234 E235 L236 I272	F142-W218 HydrophobicContact CB-CZ2 3.94Å; F214-W218 VanDerWaalsContact O-CD1 3.25Å; F214-W218 PolarHBondContact O-N 3.33Å; A215-W218 PolarHBondContact O-N 3.13Å; E216-W218 VanDerWaalsContact C-N 3.32Å; E216-W218 PolarHBondContact O-N 3.37Å; W218-T221 HydrophobicContact CE3-CG2 4.08Å; W218-T221 HydrophobicContact CZ3-CG2 3.95Å; W218-T221 PolarHBondContact O-N 3.05Å; W218-T222 WeakPolarHBondContact O-CB 3.42Å; W218-T222 VanDerWaalsContact O-CG2 3.23Å; W218-T222 WeakPolarHBondContact O-CG2 3.44Å; W218-T222 PolarHBondContact O-N 3.32Å; W218-T222 PolarHBondContact O-OG1 2.79Å; W218-Y234 HydrophobicContact CE3-CD1 4.4Å; W218-Y234 HydrophobicContact CE3-CG 4.33Å; W218-Y234 AromaticContact CZ3-CD1 3.75Å; W218-Y234 HydrophobicContact CZ3-CD1 3.75Å; W218-Y234 AromaticContact CZ3-CG 3.82Å; W218-Y234 HydrophobicContact CZ3-CG 3.82Å; W218-E235 VanDerWaalsContact CH2-O 3.31Å; W218-E235 WeakPolarHBondContact CH2-O 3.33Å; W218-E235 VanDerWaalsContact CZ2-O 3.3Å; W218-E235 WeakPolarHBondContact CZ2-O 3.24Å; W218-L236 HydrophobicContact CZ2-CD2 4.15Å; W218-I272 HydrophobicContact CB-CD1 4.27Å; W218-I272 HydrophobicContact CB-CG1 3.84Å; W218-I272 HydrophobicContact CD2-CD1 3.95Å; W218-I272 HydrophobicContact CD2-CG1 4.41Å; W218-I272 HydrophobicContact CE3-CD1 4.08Å; W218-I272 HydrophobicContact CE3-CG1 4.47Å; W218-I272 HydrophobicContact CG-CD1 4.03Å; W218-I272 HydrophobicContact CG-CG1 4.16Å
219	R	98.7	Very high	98	Very high	106 Å²	106	43.1 Å²	43.1	40%	0.4	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-44.4	172	-79	179.4	-163.3	142.2	6.1	111.4	A215 E216 Y217 T222 D223 V271	A215-R219 WeakPolarHBondContact O-CB 3.08Å; A215-R219 VanDerWaalsContact O-CG 3.27Å; A215-R219 WeakPolarHBondContact O-CG 3.29Å; A215-R219 PolarHBondContact O-N 3.16Å; E216-R219 PolarHBondContact O-N 2.84Å; Y217-R219 PolarHBondContact O-N 2.93Å; R219-T222 WeakPolarHBondContact CA-OG1 3.45Å; R219-T222 PolarHBondContact O-N 3.36Å; R219-T222 PolarHBondContact O-OG1 3.08Å; R219-D223 WeakPolarHBondContact O-CB 3.37Å; R219-D223 PolarHBondContact O-N 3.15Å; R219-V271 HydrophobicContact CG-CG1 3.67Å
220	I	98.6	Very high	98	Very high	31 Å²	31	42.4 Å²	42.4	16%	0.159	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-45.8	177.2	-63.5	164.1	0	0	0	110	L109 K110 T116 I121 E216 Y217 T222 R224	L109-I220 HydrophobicContact CD1-CG2 3.9Å; L109-I220 HydrophobicContact CD2-CB 4.47Å; L109-I220 HydrophobicContact CD2-CD1 4.46Å; L109-I220 HydrophobicContact CD2-CG2 4.37Å; K110-I220 HydrophobicContact CD-CD1 4.4Å; T116-I220 HydrophobicContact CG2-CD1 4.12Å; T116-I220 HydrophobicContact CG2-CG2 4.31Å; I121-I220 HydrophobicContact CD1-CG2 3.62Å; E216-I220 HydrophobicContact CG-CD1 4.13Å; E216-I220 WeakPolarHBondContact O-CG1 3.34Å; E216-I220 PolarHBondContact O-N 3.18Å; Y217-I220 PolarHBondContact O-N 3Å; I220-T222 PolarHBondContact O-N 3.12Å; I220-R224 PolarHBondContact O-N 3.26Å
221	T	98.8	Very high	98	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-49.8	177	-52.4	0	0	0	0	112.1	F104 I140 Y217 W218 F225 Y234	F104-T221 HydrophobicContact CD1-CG2 4.13Å; F104-T221 HydrophobicContact CE1-CG2 4.19Å; F104-T221 VanDerWaalsContact CE1-OG1 3.25Å; F104-T221 WeakPolarHBondContact CE1-OG1 3.47Å; I140-T221 HydrophobicContact CD1-CG2 4.1Å; I140-T221 HydrophobicContact CG2-CG2 4.01Å; Y217-T221 PolarHBondContact O-N 3.02Å; Y217-T221 PolarHBondContact O-OG1 2.81Å; W218-T221 HydrophobicContact CE3-CG2 4.08Å; W218-T221 HydrophobicContact CZ3-CG2 3.95Å; W218-T221 PolarHBondContact O-N 3.05Å; T221-F225 HydrophobicContact CG2-CD2 3.8Å; T221-F225 HydrophobicContact CG2-CE2 4.33Å; T221-F225 WeakPolarHBondContact O-CB 3.23Å; T221-F225 WeakPolarHBondContact O-CD2 3.37Å; T221-F225 WeakPolarHBondContact O-CG 3.42Å; T221-F225 PolarHBondContact O-N 2.77Å; T221-Y234 HydrophobicContact CG2-CD1 4.2Å; T221-Y234 HydrophobicContact CG2-CE1 3.99Å
222	T	98.7	Very high	98.1	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-76.1	-36.9	-173.8	50.5	0	0	0	0	113	W218 R219 I220 R224 G226 Y234 I272 T275 D276	W218-T222 WeakPolarHBondContact O-CB 3.42Å; W218-T222 VanDerWaalsContact O-CG2 3.23Å; W218-T222 WeakPolarHBondContact O-CG2 3.44Å; W218-T222 PolarHBondContact O-N 3.32Å; W218-T222 PolarHBondContact O-OG1 2.79Å; R219-T222 WeakPolarHBondContact CA-OG1 3.45Å; R219-T222 PolarHBondContact O-N 3.36Å; R219-T222 PolarHBondContact O-OG1 3.08Å; I220-T222 PolarHBondContact O-N 3.12Å; T222-R224 VanDerWaalsContact C-N 3.3Å; T222-R224 PolarHBondContact O-N 2.92Å; T222-G226 WeakPolarHBondContact O-CA 2.97Å; T222-G226 PolarHBondContact O-N 3.5Å; T222-Y234 HydrophobicContact CG2-CD2 4.3Å; T222-Y234 HydrophobicContact CG2-CE1 4.45Å; T222-Y234 HydrophobicContact CG2-CE2 3.66Å; T222-I272 HydrophobicContact CG2-CB 4.22Å; T222-I272 HydrophobicContact CG2-CG1 4.04Å; T222-I272 HydrophobicContact CG2-CG2 3.77Å; T222-T275 VanDerWaalsContact CB-OG1 3.24Å; T222-T275 WeakPolarHBondContact CB-OG1 3.23Å; T222-T275 PolarHBondContact OG1-OG1 3.16Å; T222-D276 HydrophobicContact CG2-CB 4.26Å
223	D	98.2	Very high	98.1	Very high	129 Å²	129	36.6 Å²	36.6	69%	0.69	16%	0.163	S	C	*	.	H	α-helix	trans	-60.6	-42.3	174.2	-175.3	64	0	0	0	111	R219	R219-D223 WeakPolarHBondContact O-CB 3.37Å; R219-D223 PolarHBondContact O-N 3.15Å
224	R	98.5	Very high	98.1	Very high	63 Å²	63	34.5 Å²	34.5	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-76	-49.9	178.3	-173.3	67.1	78.1	100.4	0.8	113.2	I121 D122 E125 I220 T222	I121-R224 HydrophobicContact CG2-CB 4.12Å; I121-R224 HydrophobicContact CG2-CG 3.56Å; D122-R224 IonicContact OD1-CZ 2.83Å; D122-R224 VanDerWaalsContact OD1-CZ 3.31Å; D122-R224 IonicContact OD1-NH1 2.62Å; D122-R224 PolarHBondContact OD1-NH1 3.32Å; D122-R224 IonicContact OD1-NH2 2.72Å; D122-R224 PolarHBondContact OD1-NH2 3.23Å; E125-R224 WeakPolarHBondContact OE2-CD 3.35Å; E125-R224 IonicContact OE2-CZ 3Å; E125-R224 IonicContact OE2-NH1 2.66Å; E125-R224 PolarHBondContact OE2-NH1 2.6Å; I220-R224 PolarHBondContact O-N 3.26Å; T222-R224 VanDerWaalsContact C-N 3.3Å; T222-R224 PolarHBondContact O-N 2.92Å
225	F	98.5	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-103.9	-12.3	-164.6	-50.6	-51.9	0	0	0	114.4	F104 I121 I124 E125 I128 I140 T221 K227 K228 V231	F104-F225 HydrophobicContact CD1-CE2 4.46Å; F104-F225 AromaticContact CE1-CE2 3.95Å; F104-F225 HydrophobicContact CE1-CE2 3.95Å; F104-F225 HydrophobicContact CE2-CE2 4.17Å; F104-F225 HydrophobicContact CE2-CZ 4.37Å; F104-F225 AromaticContact CZ-CE2 3.78Å; F104-F225 HydrophobicContact CZ-CE2 3.78Å; F104-F225 HydrophobicContact CZ-CZ 4.24Å; I121-F225 HydrophobicContact CG2-CE1 4.27Å; I121-F225 HydrophobicContact CG2-CZ 3.89Å; I124-F225 HydrophobicContact CB-CZ 4.16Å; I124-F225 HydrophobicContact CG2-CE1 4.3Å; I124-F225 HydrophobicContact CG2-CE2 4.18Å; I124-F225 HydrophobicContact CG2-CZ 3.69Å; E125-F225 HydrophobicContact CB-CE1 3.9Å; E125-F225 HydrophobicContact CG-CE1 4.34Å; I128-F225 HydrophobicContact CD1-CB 4.46Å; I128-F225 HydrophobicContact CD1-CD1 3.62Å; I128-F225 HydrophobicContact CD1-CD2 4.31Å; I128-F225 HydrophobicContact CD1-CE1 3.85Å; I128-F225 HydrophobicContact CD1-CE2 4.5Å; I128-F225 HydrophobicContact CD1-CG 3.89Å; I128-F225 HydrophobicContact CD1-CZ 4.29Å; I140-F225 HydrophobicContact CD1-CB 4.01Å; I140-F225 HydrophobicContact CD1-CD2 3.56Å; I140-F225 HydrophobicContact CD1-CE2 4.31Å; I140-F225 HydrophobicContact CD1-CG 4Å; T221-F225 HydrophobicContact CG2-CD2 3.8Å; T221-F225 HydrophobicContact CG2-CE2 4.33Å; T221-F225 WeakPolarHBondContact O-CB 3.23Å; T221-F225 WeakPolarHBondContact O-CD2 3.37Å; T221-F225 WeakPolarHBondContact O-CG 3.42Å; T221-F225 PolarHBondContact O-N 2.77Å; F225-K227 VanDerWaalsContact C-N 3.26Å; F225-K227 PolarHBondContact O-N 2.83Å; F225-K227 VanDerWaalsContact O-N 3.13Å; F225-K228 VanDerWaalsContact O-CB 3.29Å; F225-K228 WeakPolarHBondContact O-CB 3.36Å; F225-K228 WeakPolarHBondContact O-CG 3.47Å; F225-K228 PolarHBondContact O-N 2.87Å; F225-V231 HydrophobicContact CB-CG2 4.26Å
226	G	96.6	Very high	98.1	Very high	8 Å²	8	34.5 Å²	34.5	8%	0.082	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31	-170	0	0	0	0	0	114.9	K46 T222 K228 Y234 D276	K46-G226 VanDerWaalsContact CE-O 3.23Å; K46-G226 WeakPolarHBondContact CE-O 3.29Å; K46-G226 PolarHBondContact NZ-O 2.93Å; T222-G226 WeakPolarHBondContact O-CA 2.97Å; T222-G226 PolarHBondContact O-N 3.5Å; G226-K228 VanDerWaalsContact C-N 3.34Å; G226-K228 PolarHBondContact O-N 2.82Å; G226-Y234 VanDerWaalsContact CA-OH 3.24Å; G226-Y234 WeakPolarHBondContact CA-OH 3.41Å; G226-D276 WeakPolarHBondContact CA-OD2 3.3Å
227	K	95.9	Very high	98.1	Very high	210 Å²	210	31.4 Å²	31.4	91%	0.913	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.7	178	-64.3	178.5	-176.6	169.8	0	114.3	F225 Y229	F225-K227 VanDerWaalsContact C-N 3.26Å; F225-K227 PolarHBondContact O-N 2.83Å; F225-K227 VanDerWaalsContact O-N 3.13Å; K227-Y229 PolarHBondContact O-N 2.79Å
228	K	97	Very high	98.1	Very high	31 Å²	31	31.4 Å²	31.4	14%	0.135	14%	0.141	C	C	.	.			trans	-73.8	117.6	-179.2	-58.8	-92.5	176	171.7	0	109.3	K46 E125 I128 D129 F225 G226 N230 V231	K46-K228 PolarHBondContact NZ-O 3.12Å; E125-K228 WeakPolarHBondContact OE1-CE 3.43Å; E125-K228 IonicContact OE1-NZ 2.6Å; E125-K228 PolarHBondContact OE1-NZ 3.18Å; I128-K228 HydrophobicContact CG2-CB 4.28Å; I128-K228 HydrophobicContact CG2-CD 4.18Å; I128-K228 HydrophobicContact CG2-CG 4.27Å; D129-K228 WeakPolarHBondContact OD1-CD 3.48Å; D129-K228 IonicContact OD1-NZ 2.85Å; D129-K228 PolarHBondContact OD1-NZ 2.9Å; D129-K228 IonicContact OD2-NZ 2.76Å; D129-K228 PolarHBondContact OD2-NZ 3.38Å; F225-K228 VanDerWaalsContact O-CB 3.29Å; F225-K228 WeakPolarHBondContact O-CB 3.36Å; F225-K228 WeakPolarHBondContact O-CG 3.47Å; F225-K228 PolarHBondContact O-N 2.87Å; G226-K228 VanDerWaalsContact C-N 3.34Å; G226-K228 PolarHBondContact O-N 2.82Å; K228-N230 PolarHBondContact O-N 3.05Å; K228-V231 HydrophobicContact CB-CB 4.42Å; K228-V231 HydrophobicContact CB-CG2 3.71Å; K228-V231 HydrophobicContact CG-CG2 4.44Å; K228-V231 PolarHBondContact O-N 3.49Å
229	Y	95.1	Very high	97.9	Very high	70 Å²	70	32.7 Å²	32.7	28%	0.275	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.9	-175.6	74.9	-91.6	0	0	0	113.3	R44 G132 K227	R44-Y229 HydrophobicContact CB-CD2 3.96Å; R44-Y229 HydrophobicContact CB-CG 4.14Å; R44-Y229 PolarHBondContact NH1-OH 2.61Å; R44-Y229 WeakPolarHBondContact O-CB 3.14Å; G132-Y229 VanDerWaalsContact C-OH 3.31Å; G132-Y229 PolarHBondContact O-OH 3.36Å; K227-Y229 PolarHBondContact O-N 2.79Å
230	N	97.7	Very high	97.8	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.2	-177	68.9	-53.5	0	0	0	113.2	I128 G132 V136 Y137 I138 K228 L232	I128-N230 PolarHBondContact O-ND2 3.35Å; G132-N230 WeakPolarHBondContact CA-ND2 3.18Å; G132-N230 PolarHBondContact N-ND2 2.91Å; G132-N230 VanDerWaalsContact N-ND2 3.18Å; V136-N230 PolarHBondContact O-ND2 2.98Å; Y137-N230 CarbonylContact C-O 3.31Å; Y137-N230 WeakPolarHBondContact CA-O 3.49Å; Y137-N230 WeakPolarHBondContact CD1-O 3.5Å; I138-N230 PolarHBondContact N-O 3.3Å; K228-N230 PolarHBondContact O-N 3.05Å; N230-L232 PolarHBondContact O-N 3.18Å; N230-L232 VanDerWaalsContact O-N 3.14Å
231	V	98.7	Very high	97.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	104.5	164.3	177.1	0	0	0	0	107	K46 I128 I138 I140 F225 K228 Y234 T279	K46-V231 PolarHBondContact NZ-O 3.29Å; I128-V231 HydrophobicContact CD1-CG2 4.42Å; I128-V231 HydrophobicContact CG2-CG2 3.87Å; I138-V231 CarbonylContact O-C 3.56Å; I138-V231 WeakPolarHBondContact O-CA 3.37Å; I140-V231 HydrophobicContact CD1-CG1 4.09Å; I140-V231 HydrophobicContact CD1-CG2 4.35Å; I140-V231 HydrophobicContact CG1-CG1 4.3Å; F225-V231 HydrophobicContact CB-CG2 4.26Å; K228-V231 HydrophobicContact CB-CB 4.42Å; K228-V231 HydrophobicContact CB-CG2 3.71Å; K228-V231 HydrophobicContact CG-CG2 4.44Å; K228-V231 PolarHBondContact O-N 3.49Å; V231-Y234 HydrophobicContact CG1-CE1 3.91Å; V231-T279 HydrophobicContact CG1-CG2 3.9Å
232	L	98.8	Very high	97.5	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-44	-179.7	179.3	61.5	0	0	0	110.6	V47 F56 F66 V99 Y137 I138 I139 N230 L280 F282 F371	V47-L232 HydrophobicContact CB-CD1 3.77Å; V47-L232 HydrophobicContact CG1-CD1 3.86Å; V47-L232 HydrophobicContact CG2-CD1 4.1Å; F56-L232 HydrophobicContact CD1-CD1 4.47Å; F66-L232 HydrophobicContact CD1-CD2 4.39Å; F66-L232 HydrophobicContact CD2-CD2 4.13Å; F66-L232 HydrophobicContact CE1-CD1 4.48Å; F66-L232 HydrophobicContact CE1-CD2 4.33Å; F66-L232 HydrophobicContact CE2-CD1 3.99Å; F66-L232 HydrophobicContact CE2-CD2 4.05Å; F66-L232 HydrophobicContact CG-CD2 4.29Å; F66-L232 HydrophobicContact CZ-CD1 3.79Å; F66-L232 HydrophobicContact CZ-CD2 4.16Å; V99-L232 HydrophobicContact CG2-CD2 4.05Å; Y137-L232 HydrophobicContact CD1-CB 4.01Å; Y137-L232 HydrophobicContact CD1-CD1 4.33Å; Y137-L232 HydrophobicContact CG-CB 4.44Å; I138-L232 PolarHBondContact O-N 2.86Å; I139-L232 HydrophobicContact CD1-CD2 4.29Å; I139-L232 HydrophobicContact CG1-CB 4.36Å; I139-L232 HydrophobicContact CG1-CD2 4Å; I139-L232 HydrophobicContact CG1-CG 4.48Å; N230-L232 PolarHBondContact O-N 3.18Å; N230-L232 VanDerWaalsContact O-N 3.14Å; L232-L280 HydrophobicContact CD1-CD1 3.81Å; L232-L280 HydrophobicContact CG-CD1 4.27Å; L232-L280 VanDerWaalsContact O-CB 3.25Å; L232-L280 WeakPolarHBondContact O-CB 3.31Å; L232-L280 VanDerWaalsContact O-CG 3.32Å; L232-L280 WeakPolarHBondContact O-CG 3.09Å; L232-L280 PolarHBondContact O-N 2.98Å; L232-F282 HydrophobicContact CD2-CZ 4.05Å; L232-F282 HydrophobicContact CG-CE2 4.23Å; L232-F282 HydrophobicContact CG-CZ 4.16Å; L232-F371 HydrophobicContact CD2-CE2 4.32Å
233	G	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	172.3	-175.7	0	0	0	0	0	115.6	I139 I140 L280	I139-G233 WeakPolarHBondContact CA-O 3.26Å; I140-G233 PolarHBondContact N-O 3.29Å; G233-L280 CarbonylContact C-O 3.58Å; G233-L280 WeakPolarHBondContact CA-O 3.48Å
234	Y	98.9	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.1	176.2	-58.2	-52.6	0	0	0	109.6	I140 W218 T221 T222 G226 V231 I272 D276 T279 L280 I281 F282	I140-Y234 HydrophobicContact CB-CD1 4.22Å; I140-Y234 HydrophobicContact CD1-CD1 4.43Å; I140-Y234 HydrophobicContact CD1-CE1 4.11Å; W218-Y234 HydrophobicContact CE3-CD1 4.4Å; W218-Y234 HydrophobicContact CE3-CG 4.33Å; W218-Y234 AromaticContact CZ3-CD1 3.75Å; W218-Y234 HydrophobicContact CZ3-CD1 3.75Å; W218-Y234 AromaticContact CZ3-CG 3.82Å; W218-Y234 HydrophobicContact CZ3-CG 3.82Å; T221-Y234 HydrophobicContact CG2-CD1 4.2Å; T221-Y234 HydrophobicContact CG2-CE1 3.99Å; T222-Y234 HydrophobicContact CG2-CD2 4.3Å; T222-Y234 HydrophobicContact CG2-CE1 4.45Å; T222-Y234 HydrophobicContact CG2-CE2 3.66Å; G226-Y234 VanDerWaalsContact CA-OH 3.24Å; G226-Y234 WeakPolarHBondContact CA-OH 3.41Å; V231-Y234 HydrophobicContact CG1-CE1 3.91Å; Y234-I272 HydrophobicContact CD2-CG2 3.98Å; Y234-I272 HydrophobicContact CE2-CG2 4.08Å; Y234-D276 HydrophobicContact CE2-CB 4.37Å; Y234-D276 PolarHBondContact OH-OD2 3.07Å; Y234-T279 HydrophobicContact CD2-CG2 3.74Å; Y234-T279 HydrophobicContact CE1-CG2 4.24Å; Y234-T279 HydrophobicContact CE2-CG2 3.42Å; Y234-T279 VanDerWaalsContact CE2-CG2 3.42Å; Y234-T279 HydrophobicContact CG-CG2 4.28Å; Y234-L280 PolarHBondContact N-O 2.94Å; Y234-I281 HydrophobicContact CD2-CD1 4.27Å; Y234-F282 PolarHBondContact O-N 3.06Å
235	E	98.8	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.1	174.9	-174.2	168	-152.1	0	0	110.5	R101 I139 I140 D141 F142 W218 I237 F282 E284 S322	R101-E235 WeakPolarHBondContact CD-OE2 3.44Å; R101-E235 IonicContact CZ-OE1 3.85Å; R101-E235 IonicContact CZ-OE2 3.71Å; R101-E235 VanDerWaalsContact CZ-OE2 3.31Å; R101-E235 VanDerWaalsContact NE-CD 3.32Å; R101-E235 IonicContact NE-OE1 2.78Å; R101-E235 PolarHBondContact NE-OE1 2.61Å; R101-E235 IonicContact NE-OE2 3.06Å; R101-E235 PolarHBondContact NE-OE2 2.85Å; R101-E235 IonicContact NH2-OE1 3.31Å; R101-E235 PolarHBondContact NH2-OE1 3.02Å; R101-E235 IonicContact NH2-OE2 3.14Å; R101-E235 PolarHBondContact NH2-OE2 2.88Å; I139-E235 HydrophobicContact CG2-CB 4.06Å; I140-E235 PolarHBondContact O-N 2.9Å; D141-E235 HydrophobicContact CB-CB 4.39Å; F142-E235 PolarHBondContact N-O 3.19Å; W218-E235 VanDerWaalsContact CH2-O 3.31Å; W218-E235 WeakPolarHBondContact CH2-O 3.33Å; W218-E235 VanDerWaalsContact CZ2-O 3.3Å; W218-E235 WeakPolarHBondContact CZ2-O 3.24Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-I237 PolarHBondContact O-N 3.07Å; E235-F282 WeakPolarHBondContact CA-O 3.13Å; E235-F282 HydrophobicContact CB-CB 3.76Å; E235-F282 HydrophobicContact CG-CB 4.07Å; E235-E284 VanDerWaalsContact OE1-OE1 3.1Å; E235-S322 PolarHBondContact OE1-OG 2.78Å
236	L	98.7	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.105	C	C	.	.			trans	-65.8	-37.5	-163.4	-64.1	-177.8	0	0	0	113	F142 W218 Y265 L268 V269 I272 I281 F282	F142-L236 WeakPolarHBondContact CB-O 3.42Å; W218-L236 HydrophobicContact CZ2-CD2 4.15Å; L236-Y265 HydrophobicContact CB-CD1 4.08Å; L236-Y265 HydrophobicContact CB-CE1 3.99Å; L236-Y265 HydrophobicContact CD1-CD1 3.53Å; L236-Y265 HydrophobicContact CD1-CE1 4.22Å; L236-Y265 HydrophobicContact CD1-CG 3.72Å; L236-Y265 HydrophobicContact CG-CD1 4.48Å; L236-L268 HydrophobicContact CB-CD1 4.39Å; L236-L268 HydrophobicContact CD1-CB 4.49Å; L236-L268 HydrophobicContact CD2-CB 4.28Å; L236-L268 HydrophobicContact CD2-CD1 4.32Å; L236-V269 HydrophobicContact CD1-CG2 4.28Å; L236-I272 HydrophobicContact CD2-CD1 3.58Å; L236-I281 HydrophobicContact CD1-CG2 3.74Å; L236-I281 HydrophobicContact CD2-CG2 4.27Å; L236-I281 HydrophobicContact CG-CG2 3.92Å; L236-F282 PolarHBondContact N-O 3.03Å
237	I	97.9	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.132	C	C	.	.			trans	-164.5	130.5	176.9	-172.7	165.7	0	0	0	110.3	F142 Q144 E235 P240 Y265	F142-I237 HydrophobicContact CD1-CB 4.08Å; F142-I237 HydrophobicContact CD1-CG1 3.93Å; F142-I237 HydrophobicContact CE1-CD1 4.32Å; F142-I237 HydrophobicContact CE1-CG1 4.13Å; Q144-I237 HydrophobicContact CG-CD1 4.06Å; Q144-I237 HydrophobicContact CG-CG1 3.75Å; E235-I237 VanDerWaalsContact C-N 3.34Å; E235-I237 PolarHBondContact O-N 3.07Å; I237-P240 HydrophobicContact CD1-CB 4.48Å; I237-P240 HydrophobicContact CG2-CB 3.93Å; I237-P240 HydrophobicContact CG2-CG 4.08Å; I237-Y265 HydrophobicContact CG2-CE1 3.64Å; I237-Y265 WeakPolarHBondContact CG2-OH 3.46Å
238	N	97.8	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-72.7	129.6	172.3	179.1	91.6	0	0	0	111.9	R101 F142 H143 Q144 D145 E284 H324	R101-N238 PolarHBondContact NH1-OD1 2.89Å; R101-N238 PolarHBondContact NH2-OD1 3.32Å; F142-N238 PolarHBondContact O-N 2.86Å; H143-N238 VanDerWaalsContact CE1-CG 3.49Å; H143-N238 PolarHBondContact CE1-OD1 3.17Å; H143-N238 VanDerWaalsContact CE1-OD1 3.3Å; H143-N238 PolarHBondContact ND1-OD1 2.64Å; Q144-N238 WeakPolarHBondContact CG-O 3.33Å; Q144-N238 PolarHBondContact NE2-O 3.47Å; D145-N238 PolarHBondContact OD1-ND2 2.78Å; N238-E284 WeakPolarHBondContact CA-OE1 3.26Å; N238-H324 PolarHBondContact OD1-CE1 2.84Å; N238-H324 VanDerWaalsContact OD1-CE1 3.29Å
239	E	95.9	Very high	97.1	Very high	27 Å²	27	24 Å²	24	13%	0.126	12%	0.121	C	C	.	.	S	Bend	trans	44.1	60	171.6	-63	-161.3	157.6	0	0	114.7	Q144 P241 E284 T287 H324	Q144-E239 PolarHBondContact NE2-O 3.34Å; E239-P241 WeakPolarHBondContact O-CD 3.41Å; E239-E284 VanDerWaalsContact CA-OE2 3.29Å; E239-E284 WeakPolarHBondContact CA-OE2 3.45Å; E239-E284 PolarHBondContact N-OE1 3.14Å; E239-E284 PolarHBondContact N-OE2 3.43Å; E239-T287 WeakPolarHBondContact CA-OG1 3.12Å; E239-T287 HydrophobicContact CB-CG2 4.24Å; E239-T287 WeakPolarHBondContact CB-OG1 3.46Å; E239-T287 HydrophobicContact CG-CG2 3.98Å; E239-H324 VanDerWaalsContact CG-CE1 3.41Å; E239-H324 WeakPolarHBondContact CG-CE1 3.37Å; E239-H324 WeakPolarHBondContact CG-ND1 3.49Å; E239-H324 IonicContact OE1-CE1 3.2Å; E239-H324 IonicContact OE1-CG 3.83Å; E239-H324 IonicContact OE1-ND1 2.8Å; E239-H324 PolarHBondContact OE1-ND1 2.55Å
240	P	96.5	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-63.8	124.4	-178.6	26.9	-34.1	0	0	0	110.8	Y204 I237 L261 E284 S285 V286 T287	Y204-P240 WeakPolarHBondContact OH-CB 3.44Å; I237-P240 HydrophobicContact CD1-CB 4.48Å; I237-P240 HydrophobicContact CG2-CB 3.93Å; I237-P240 HydrophobicContact CG2-CG 4.08Å; P240-L261 HydrophobicContact CB-CD1 4.05Å; P240-L261 HydrophobicContact CB-CD2 3.81Å; P240-L261 HydrophobicContact CG-CD1 3.95Å; P240-L261 HydrophobicContact CG-CD2 4.33Å; P240-E284 HydrophobicContact CG-CB 4.11Å; P240-S285 WeakPolarHBondContact CG-O 3.35Å; P240-V286 VanDerWaalsContact O-CA 3.29Å; P240-V286 WeakPolarHBondContact O-CA 3.29Å; P240-T287 PolarHBondContact O-N 3.26Å
241	P	96	Very high	97	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.058	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-75.8	168.4	174	33.3	-37.1	0	0	0	110.9	Y191 F200 Y204 E239	Y191-P241 HydrophobicContact CD1-CB 3.7Å; Y191-P241 HydrophobicContact CD1-CG 3.72Å; Y191-P241 HydrophobicContact CE1-CB 4.07Å; Y191-P241 HydrophobicContact CE1-CG 3.77Å; Y191-P241 HydrophobicContact CG-CB 4.41Å; F200-P241 HydrophobicContact CB-CG 4.19Å; F200-P241 HydrophobicContact CD1-CG 3.57Å; F200-P241 HydrophobicContact CD2-CG 3.32Å; F200-P241 VanDerWaalsContact CE1-CD 3.48Å; F200-P241 HydrophobicContact CE1-CG 3.63Å; F200-P241 HydrophobicContact CE2-CG 3.42Å; F200-P241 VanDerWaalsContact CE2-CG 3.42Å; F200-P241 HydrophobicContact CG-CG 3.4Å; F200-P241 VanDerWaalsContact CG-CG 3.4Å; F200-P241 HydrophobicContact CZ-CG 3.56Å; Y204-P241 WeakPolarHBondContact CE2-O 3.41Å; Y204-P241 PolarHBondContact OH-O 3.3Å; E239-P241 WeakPolarHBondContact O-CD 3.41Å
242	P	94.7	Very high	96.7	Very high	15 Å²	15	30.8 Å²	30.8	10%	0.097	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-62.4	161.5	168.8	29.8	-36.4	0	0	0	111.2	F245 L251 L252 A257 Y288	P242-F245 HydrophobicContact CG-CD1 4.09Å; P242-L251 WeakPolarHBondContact CB-O 3.37Å; P242-L252 HydrophobicContact CG-CD2 4.43Å; P242-A257 HydrophobicContact CB-CB 4.42Å; P242-Y288 HydrophobicContact CG-CE1 4.46Å
243	G	95.4	Very high	96.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-67	-157.6	168.9	0	0	0	0	0	112.8	A197 F245	A197-G243 CarbonylContact O-C 3.56Å; G243-F245 VanDerWaalsContact C-N 3.33Å; G243-F245 WeakPolarHBondContact O-CD1 3.48Å; G243-F245 PolarHBondContact O-N 3.34Å
244	N	97.1	Very high	95.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.177	C	C	.	.			trans	-75.8	82.1	-174.7	-165.9	-25.8	0	0	0	111.4	A197 E201 Y246 L247 N248	A197-N244 HydrophobicContact CB-CB 4.39Å; A197-N244 PolarHBondContact O-N 3.37Å; E201-N244 HydrophobicContact CB-CB 3.87Å; E201-N244 HydrophobicContact CG-CB 4.27Å; E201-N244 WeakPolarHBondContact OE2-CA 3.21Å; E201-N244 WeakPolarHBondContact OE2-CB 3.26Å; E201-N244 PolarHBondContact OE2-N 3.17Å; N244-Y246 PolarHBondContact O-N 3.43Å; N244-Y246 VanDerWaalsContact O-N 3.17Å; N244-Y246 VanDerWaalsContact OD1-CB 3.32Å; N244-Y246 WeakPolarHBondContact OD1-CB 3.35Å; N244-Y246 PolarHBondContact OD1-N 2.59Å; N244-L247 PolarHBondContact O-N 2.95Å; N244-L247 VanDerWaalsContact O-N 3.09Å; N244-L247 PolarHBondContact OD1-N 2.57Å; N244-N248 PolarHBondContact O-N 3.02Å
245	F	96.8	Very high	95.3	Very high	36 Å²	36	37.4 Å²	37.4	16%	0.158	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.9	177.5	58.4	-96.6	0	0	0	114.1	A197 P242 G243 N248 P249 L251 L252	A197-F245 HydrophobicContact CB-CD1 4.14Å; A197-F245 HydrophobicContact CB-CE1 3.83Å; A197-F245 HydrophobicContact CB-CZ 4.45Å; P242-F245 HydrophobicContact CG-CD1 4.09Å; G243-F245 VanDerWaalsContact C-N 3.33Å; G243-F245 WeakPolarHBondContact O-CD1 3.48Å; G243-F245 PolarHBondContact O-N 3.34Å; F245-N248 WeakPolarHBondContact CA-O 3.08Å; F245-N248 CarbonylContact O-C 3.53Å; F245-P249 WeakPolarHBondContact O-CA 3.16Å; F245-P249 VanDerWaalsContact O-N 3.11Å; F245-L251 HydrophobicContact CB-CB 4.4Å; F245-L252 HydrophobicContact CB-CD1 4.46Å; F245-L252 HydrophobicContact CB-CD2 3.85Å; F245-L252 HydrophobicContact CB-CG 3.79Å; F245-L252 HydrophobicContact CD1-CD2 4.06Å; F245-L252 HydrophobicContact CD2-CD2 4.28Å; F245-L252 HydrophobicContact CG-CD2 3.8Å; F245-L252 HydrophobicContact CG-CG 4.21Å
246	Y	97.3	Very high	94.8	Very high	77 Å²	77	40 Å²	40	30%	0.302	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-38.1	169.9	-65.3	-87.3	0	0	0	112.1	W176 P177 A192 Y194 A197 N244	W176-Y246 AromaticContact CH2-CD1 3.98Å; W176-Y246 HydrophobicContact CH2-CD1 3.98Å; W176-Y246 AromaticContact CH2-CE1 3.79Å; W176-Y246 HydrophobicContact CH2-CE1 3.79Å; W176-Y246 AromaticContact CZ3-CD1 3.8Å; W176-Y246 HydrophobicContact CZ3-CD1 3.8Å; W176-Y246 AromaticContact CZ3-CE1 3.5Å; W176-Y246 HydrophobicContact CZ3-CE1 3.5Å; W176-Y246 HydrophobicContact CZ3-CE2 4.48Å; W176-Y246 HydrophobicContact CZ3-CG 4.41Å; W176-Y246 AromaticContact CZ3-CZ 3.88Å; P177-Y246 WeakPolarHBondContact CD-OH 3.42Å; P177-Y246 WeakPolarHBondContact CG-OH 3.09Å; A192-Y246 PolarHBondContact O-OH 3.36Å; Y194-Y246 HydrophobicContact CD2-CD1 4.23Å; Y194-Y246 AromaticContact CD2-CD2 3.58Å; Y194-Y246 HydrophobicContact CD2-CD2 3.58Å; Y194-Y246 HydrophobicContact CD2-CE2 4.31Å; Y194-Y246 AromaticContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CE2-CD2 4.39Å; Y194-Y246 HydrophobicContact CE2-CG 4.11Å; Y194-Y246 HydrophobicContact CG-CD2 4.18Å; A197-Y246 HydrophobicContact CB-CD2 4.39Å; N244-Y246 PolarHBondContact O-N 3.43Å; N244-Y246 VanDerWaalsContact O-N 3.17Å; N244-Y246 VanDerWaalsContact OD1-CB 3.32Å; N244-Y246 WeakPolarHBondContact OD1-CB 3.35Å; N244-Y246 PolarHBondContact OD1-N 2.59Å
247	L	96.2	Very high	94.6	Very high	122 Å²	122	40.2 Å²	40.2	64%	0.639	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-32.5	176.3	-64.9	-177.6	0	0	0	111.8	N244	N244-L247 PolarHBondContact O-N 2.95Å; N244-L247 VanDerWaalsContact O-N 3.09Å; N244-L247 PolarHBondContact OD1-N 2.57Å
248	N	96.5	Very high	94.3	Very high	55 Å²	55	40.2 Å²	40.2	29%	0.294	21%	0.206	S	C	.	.			trans	-139.1	91.4	176.7	-179	11	0	0	0	111.1	N244 F245 F250 L251	N244-N248 PolarHBondContact O-N 3.02Å; F245-N248 WeakPolarHBondContact CA-O 3.08Å; F245-N248 CarbonylContact O-C 3.53Å; N248-F250 PolarHBondContact O-N 3.07Å; N248-F250 WeakPolarHBondContact OD1-CB 3.13Å; N248-F250 WeakPolarHBondContact OD1-CD2 3.29Å; N248-F250 PolarHBondContact OD1-N 3Å; N248-L251 HydrophobicContact CB-CD1 4Å; N248-L251 HydrophobicContact CB-CG 4.19Å; N248-L251 WeakPolarHBondContact O-CB 3.48Å; N248-L251 PolarHBondContact O-N 3.45Å
249	P	96.6	Very high	94	Very high	83 Å²	83	44.5 Å²	44.5	54%	0.539	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.6	-23.5	-179.7	-28.1	35.7	0	0	0	114.4	F245 L251 L252	F245-P249 WeakPolarHBondContact O-CA 3.16Å; F245-P249 VanDerWaalsContact O-N 3.11Å; P249-L251 PolarHBondContact O-N 3.23Å; P249-L252 WeakPolarHBondContact O-CB 3.17Å; P249-L252 PolarHBondContact O-N 2.78Å; P249-L252 VanDerWaalsContact O-N 3.12Å
250	F	94.4	Very high	93.8	Very high	133 Å²	133	45.1 Å²	45.1	58%	0.583	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-67.1	-14.1	176.6	-62.4	-73.5	0	0	0	113.8	N248 L252 L253 I256	N248-F250 PolarHBondContact O-N 3.07Å; N248-F250 WeakPolarHBondContact OD1-CB 3.13Å; N248-F250 WeakPolarHBondContact OD1-CD2 3.29Å; N248-F250 PolarHBondContact OD1-N 3Å; F250-L252 PolarHBondContact O-N 3.3Å; F250-L253 HydrophobicContact CD1-CD1 4.16Å; F250-L253 VanDerWaalsContact O-CB 3.31Å; F250-L253 WeakPolarHBondContact O-CB 3.32Å; F250-L253 PolarHBondContact O-N 3.33Å; F250-I256 HydrophobicContact CB-CD1 3.5Å; F250-I256 VanDerWaalsContact CB-CD1 3.5Å; F250-I256 HydrophobicContact CG-CD1 4.33Å
251	L	94.8	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-66.1	-14.8	170.7	-72.3	168.5	0	0	0	113.3	E201 P242 F245 N248 P249 L253 I256 A257	E201-L251 VanDerWaalsContact OE2-CD1 3.24Å; E201-L251 WeakPolarHBondContact OE2-CD1 3.32Å; P242-L251 WeakPolarHBondContact CB-O 3.37Å; F245-L251 HydrophobicContact CB-CB 4.4Å; N248-L251 HydrophobicContact CB-CD1 4Å; N248-L251 HydrophobicContact CB-CG 4.19Å; N248-L251 WeakPolarHBondContact O-CB 3.48Å; N248-L251 PolarHBondContact O-N 3.45Å; P249-L251 PolarHBondContact O-N 3.23Å; L251-L253 PolarHBondContact O-N 3.46Å; L251-I256 HydrophobicContact CD2-CG2 3.91Å; L251-A257 HydrophobicContact CD2-CB 4.44Å; L251-A257 WeakPolarHBondContact O-CB 3.36Å
252	L	93.5	Very high	93.9	Very high	84 Å²	84	45.1 Å²	45.1	44%	0.44	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-71.4	-16	168.6	-63.8	174.4	0	0	0	112.4	P242 F245 P249 F250 P254 Y288	P242-L252 HydrophobicContact CG-CD2 4.43Å; F245-L252 HydrophobicContact CB-CD1 4.46Å; F245-L252 HydrophobicContact CB-CD2 3.85Å; F245-L252 HydrophobicContact CB-CG 3.79Å; F245-L252 HydrophobicContact CD1-CD2 4.06Å; F245-L252 HydrophobicContact CD2-CD2 4.28Å; F245-L252 HydrophobicContact CG-CD2 3.8Å; F245-L252 HydrophobicContact CG-CG 4.21Å; P249-L252 WeakPolarHBondContact O-CB 3.17Å; P249-L252 PolarHBondContact O-N 2.78Å; P249-L252 VanDerWaalsContact O-N 3.12Å; F250-L252 PolarHBondContact O-N 3.3Å; L252-P254 WeakPolarHBondContact O-CD 3.37Å; L252-Y288 PolarHBondContact O-OH 2.94Å
253	L	91.8	Very high	94	Very high	84 Å²	84	49 Å²	49	44%	0.44	25%	0.249	S	C	.	.	S	Bend	trans	-85.1	120.4	170.6	-58.3	176.1	0	0	0	108.3	F250 L251 N255 I256 A257	F250-L253 HydrophobicContact CD1-CD1 4.16Å; F250-L253 VanDerWaalsContact O-CB 3.31Å; F250-L253 WeakPolarHBondContact O-CB 3.32Å; F250-L253 PolarHBondContact O-N 3.33Å; L251-L253 PolarHBondContact O-N 3.46Å; L253-N255 PolarHBondContact O-N 2.77Å; L253-I256 PolarHBondContact O-N 2.99Å; L253-A257 PolarHBondContact O-N 3.22Å
254	P	87.2	Confident	94.1	Very high	3 Å²	3	49 Å²	49	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-28.7	-180	-30.5	36.5	0	0	0	114.3	L252 I256 A257 G258 V286 Y288 F292 G300	L252-P254 WeakPolarHBondContact O-CD 3.37Å; P254-I256 PolarHBondContact O-N 2.9Å; P254-A257 PolarHBondContact O-N 3.46Å; P254-G258 WeakPolarHBondContact O-CA 3.28Å; P254-G258 PolarHBondContact O-N 3.08Å; P254-V286 HydrophobicContact CB-CG2 3.88Å; P254-V286 HydrophobicContact CG-CG2 4.13Å; P254-Y288 HydrophobicContact CG-CD2 3.91Å; P254-Y288 HydrophobicContact CG-CE2 3.67Å; P254-F292 HydrophobicContact CG-CB 4.15Å; P254-F292 HydrophobicContact CG-CD1 4.09Å; P254-F292 HydrophobicContact CG-CD2 3.61Å; P254-F292 HydrophobicContact CG-CE1 4.41Å; P254-F292 HydrophobicContact CG-CE2 3.98Å; P254-F292 HydrophobicContact CG-CG 3.67Å; P254-F292 HydrophobicContact CG-CZ 4.35Å; P254-G300 WeakPolarHBondContact CB-O 3.17Å; P254-G300 WeakPolarHBondContact CG-O 3.48Å
255	N	86.7	Confident	94.2	Very high	56 Å²	56	48.9 Å²	48.9	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-54.8	-38.7	178	-171.4	13.6	0	0	0	112.4	L253 Q259 G302	L253-N255 PolarHBondContact O-N 2.77Å; N255-Q259 WeakPolarHBondContact O-CG 3.48Å; N255-Q259 PolarHBondContact O-NE2 2.05Å; N255-Q259 VanDerWaalsContact O-NE2 3.16Å; N255-Q259 PolarHBondContact OD1-NE2 3.39Å; N255-G302 VanDerWaalsContact CA-CA 3.49Å
256	I	89.5	Confident	94.2	Very high	55 Å²	55	47.6 Å²	47.6	28%	0.282	24%	0.243	S	C	.	.	H	α-helix	trans	-90.5	-42.1	-176.8	-65.1	164.8	0	0	0	110.4	F250 L251 L253 P254 G258 Q259	F250-I256 HydrophobicContact CB-CD1 3.5Å; F250-I256 VanDerWaalsContact CB-CD1 3.5Å; F250-I256 HydrophobicContact CG-CD1 4.33Å; L251-I256 HydrophobicContact CD2-CG2 3.91Å; L253-I256 PolarHBondContact O-N 2.99Å; P254-I256 PolarHBondContact O-N 2.9Å; I256-G258 VanDerWaalsContact C-N 3.34Å; I256-G258 PolarHBondContact O-N 2.99Å; I256-Q259 PolarHBondContact O-N 3.32Å
257	A	93.1	Very high	94.3	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-40	176.8	0	0	0	0	0	112.6	P242 L251 L253 P254 Q259 N260 L261 V286	P242-A257 HydrophobicContact CB-CB 4.42Å; L251-A257 HydrophobicContact CD2-CB 4.44Å; L251-A257 WeakPolarHBondContact O-CB 3.36Å; L253-A257 PolarHBondContact O-N 3.22Å; P254-A257 PolarHBondContact O-N 3.46Å; A257-Q259 VanDerWaalsContact C-N 3.3Å; A257-Q259 PolarHBondContact O-N 3.37Å; A257-N260 PolarHBondContact O-N 3.46Å; A257-L261 PolarHBondContact O-N 2.97Å; A257-L261 VanDerWaalsContact O-N 3.07Å; A257-V286 HydrophobicContact CB-CG1 3.6Å
258	G	93.4	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-33.6	178.5	0	0	0	0	0	113.6	P254 I256 L261 L262 T301	P254-G258 WeakPolarHBondContact O-CA 3.28Å; P254-G258 PolarHBondContact O-N 3.08Å; I256-G258 VanDerWaalsContact C-N 3.34Å; I256-G258 PolarHBondContact O-N 2.99Å; G258-L261 PolarHBondContact O-N 3.27Å; G258-L262 VanDerWaalsContact O-CB 3.28Å; G258-L262 WeakPolarHBondContact O-CB 3.34Å; G258-L262 PolarHBondContact O-N 2.04Å; G258-T301 WeakPolarHBondContact CA-O 3.42Å
259	Q	91	Very high	94.5	Very high	91 Å²	91	38.6 Å²	38.6	43%	0.425	20%	0.196	S	C	.	.	H	α-helix	trans	-66.5	-42.3	175.6	-72.2	175.5	37.2	0	0	112.1	N255 I256 A257 L262 L263	N255-Q259 WeakPolarHBondContact O-CG 3.48Å; N255-Q259 PolarHBondContact O-NE2 2.05Å; N255-Q259 VanDerWaalsContact O-NE2 3.16Å; N255-Q259 PolarHBondContact OD1-NE2 3.39Å; I256-Q259 PolarHBondContact O-N 3.32Å; A257-Q259 VanDerWaalsContact C-N 3.3Å; A257-Q259 PolarHBondContact O-N 3.37Å; Q259-L262 PolarHBondContact O-N 3.43Å; Q259-L263 PolarHBondContact O-N 3.09Å
260	N	92.3	Very high	94.6	Very high	39 Å²	39	37.3 Å²	37.3	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-43	176.3	-71.8	-12.8	0	0	0	111.4	A257 L263 F264	A257-N260 PolarHBondContact O-N 3.46Å; N260-L263 PolarHBondContact O-N 2.9Å; N260-F264 PolarHBondContact O-N 2.91Å
261	L	96.3	Very high	94.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-42.8	174.7	-79.2	172.7	0	0	0	112.1	Y204 P240 A257 G258 L263 F264 Y265 V286 M303	Y204-L261 HydrophobicContact CD1-CD2 3.83Å; Y204-L261 HydrophobicContact CE1-CD2 3.33Å; Y204-L261 HydrophobicContact CE1-CG 4.45Å; Y204-L261 HydrophobicContact CE2-CD2 4.1Å; Y204-L261 HydrophobicContact CG-CD2 4.43Å; Y204-L261 VanDerWaalsContact CZ-CD2 3.47Å; P240-L261 HydrophobicContact CB-CD1 4.05Å; P240-L261 HydrophobicContact CB-CD2 3.81Å; P240-L261 HydrophobicContact CG-CD1 3.95Å; P240-L261 HydrophobicContact CG-CD2 4.33Å; A257-L261 PolarHBondContact O-N 2.97Å; A257-L261 VanDerWaalsContact O-N 3.07Å; G258-L261 PolarHBondContact O-N 3.27Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.47Å; L261-F264 WeakPolarHBondContact O-CB 3.26Å; L261-F264 PolarHBondContact O-N 2.84Å; L261-Y265 HydrophobicContact CB-CE2 4.26Å; L261-Y265 VanDerWaalsContact O-CG 3.27Å; L261-Y265 PolarHBondContact O-N 3.4Å; L261-V286 HydrophobicContact CD1-CG1 3.67Å; L261-M303 HydrophobicContact CB-CE 3.58Å; L261-M303 HydrophobicContact CD1-CE 4.23Å
262	L	96.9	Very high	95	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-38.9	-178.8	-176.1	58.3	0	0	0	112.5	G258 Q259 Y265 D266 M303 R305 P307	G258-L262 VanDerWaalsContact O-CB 3.28Å; G258-L262 WeakPolarHBondContact O-CB 3.34Å; G258-L262 PolarHBondContact O-N 2.04Å; Q259-L262 PolarHBondContact O-N 3.43Å; L262-Y265 PolarHBondContact O-N 3.2Å; L262-D266 VanDerWaalsContact O-CG 3.25Å; L262-D266 PolarHBondContact O-N 2.96Å; L262-M303 HydrophobicContact CB-CG 4.35Å; L262-R305 HydrophobicContact CD2-CG 3.84Å; L262-P307 HydrophobicContact CD1-CB 4.33Å; L262-P307 HydrophobicContact CD1-CG 3.96Å
263	L	96.4	Very high	95.2	Very high	96 Å²	96	28.3 Å²	28.3	50%	0.503	14%	0.142	S	C	.	.	H	α-helix	trans	-63.6	-42	174.7	-70.1	174.5	0	0	0	112.1	W211 Q259 N260 L261 D266 Y267	W211-L263 HydrophobicContact CH2-CB 4.34Å; Q259-L263 PolarHBondContact O-N 3.09Å; N260-L263 PolarHBondContact O-N 2.9Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.47Å; L263-D266 PolarHBondContact O-N 3.09Å; L263-Y267 PolarHBondContact O-N 3.05Å
264	F	98.1	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-46.3	174.2	169.1	-127.2	0	0	0	111.3	I203 Y204 W211 F214 N260 L261 Y267 L268	I203-F264 HydrophobicContact CG2-CE1 4.47Å; I203-F264 HydrophobicContact CG2-CE2 4.33Å; I203-F264 HydrophobicContact CG2-CZ 4.12Å; Y204-F264 HydrophobicContact CD1-CD1 4.29Å; W211-F264 AromaticContact CD1-CD2 3.53Å; W211-F264 AromaticContact CD1-CE2 3.8Å; W211-F264 HydrophobicContact CD2-CD2 4.23Å; W211-F264 AromaticContact CE2-CD2 3.74Å; W211-F264 HydrophobicContact CG-CD2 4.11Å; W211-F264 HydrophobicContact CG-CE2 4.42Å; W211-F264 HydrophobicContact CZ2-CB 3.89Å; W211-F264 HydrophobicContact CZ2-CD2 4.39Å; W211-F264 AromaticContact NE1-CD2 3.29Å; W211-F264 VanDerWaalsContact NE1-CD2 3.29Å; F214-F264 HydrophobicContact CB-CE2 4.28Å; F214-F264 HydrophobicContact CB-CZ 4.45Å; F214-F264 HydrophobicContact CD1-CE2 4.46Å; F214-F264 AromaticContact CD1-CZ 3.83Å; F214-F264 HydrophobicContact CD1-CZ 3.83Å; F214-F264 HydrophobicContact CD2-CE2 4.15Å; F214-F264 HydrophobicContact CD2-CZ 4.08Å; F214-F264 AromaticContact CE1-CZ 3.98Å; F214-F264 HydrophobicContact CE1-CZ 3.98Å; F214-F264 HydrophobicContact CE2-CZ 4.21Å; F214-F264 HydrophobicContact CG-CE2 4.06Å; F214-F264 AromaticContact CG-CZ 3.88Å; F214-F264 HydrophobicContact CG-CZ 3.88Å; F214-F264 HydrophobicContact CZ-CZ 4.16Å; N260-F264 PolarHBondContact O-N 2.91Å; L261-F264 WeakPolarHBondContact O-CB 3.26Å; L261-F264 PolarHBondContact O-N 2.84Å; F264-Y267 WeakPolarHBondContact O-CB 3.29Å; F264-Y267 PolarHBondContact O-N 3.44Å; F264-L268 HydrophobicContact CD2-CD1 4.31Å; F264-L268 HydrophobicContact CD2-CG 4.15Å; F264-L268 HydrophobicContact CE1-CD1 3.9Å; F264-L268 HydrophobicContact CE2-CD1 3.69Å; F264-L268 HydrophobicContact CE2-CD2 3.91Å; F264-L268 HydrophobicContact CE2-CG 3.8Å; F264-L268 HydrophobicContact CZ-CD1 3.47Å; F264-L268 VanDerWaalsContact CZ-CD1 3.47Å; F264-L268 HydrophobicContact CZ-CD2 4.44Å; F264-L268 HydrophobicContact CZ-CG 4.13Å; F264-L268 WeakPolarHBondContact O-CG 3.24Å; F264-L268 PolarHBondContact O-N 3.26Å; F264-L268 VanDerWaalsContact O-N 3.08Å
265	Y	98.6	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-39.7	177.4	-62.4	-23.6	0	0	0	113.2	L236 I237 L261 L262 Y267 L268 V269 Y283 E284 M303 P307	L236-Y265 HydrophobicContact CB-CD1 4.08Å; L236-Y265 HydrophobicContact CB-CE1 3.99Å; L236-Y265 HydrophobicContact CD1-CD1 3.53Å; L236-Y265 HydrophobicContact CD1-CE1 4.22Å; L236-Y265 HydrophobicContact CD1-CG 3.72Å; L236-Y265 HydrophobicContact CG-CD1 4.48Å; I237-Y265 HydrophobicContact CG2-CE1 3.64Å; I237-Y265 WeakPolarHBondContact CG2-OH 3.46Å; L261-Y265 HydrophobicContact CB-CE2 4.26Å; L261-Y265 VanDerWaalsContact O-CG 3.27Å; L261-Y265 PolarHBondContact O-N 3.4Å; L262-Y265 PolarHBondContact O-N 3.2Å; Y265-Y267 PolarHBondContact O-N 2.72Å; Y265-L268 PolarHBondContact O-N 3.01Å; Y265-L268 VanDerWaalsContact O-N 3.15Å; Y265-V269 WeakPolarHBondContact O-CB 3.22Å; Y265-V269 WeakPolarHBondContact O-CG2 3.41Å; Y265-V269 PolarHBondContact O-N 3.43Å; Y265-Y283 HydrophobicContact CE2-CD2 4.45Å; Y265-E284 WeakPolarHBondContact CE2-O 3.4Å; Y265-E284 PolarHBondContact OH-O 3.32Å; Y265-M303 HydrophobicContact CD2-CE 4.1Å; Y265-M303 HydrophobicContact CE2-CE 3.7Å; Y265-P307 HydrophobicContact CD2-CG 3.95Å; Y265-P307 HydrophobicContact CG-CG 4.27Å
266	D	98.5	Very high	96.5	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-56.2	-43.6	174.8	-74.7	-29.7	0	0	0	111.1	L262 L263 N270 R305 P307 G308	L262-D266 VanDerWaalsContact O-CG 3.25Å; L262-D266 PolarHBondContact O-N 2.96Å; L263-D266 PolarHBondContact O-N 3.09Å; D266-N270 WeakPolarHBondContact O-CB 3.44Å; D266-N270 PolarHBondContact O-N 2.98Å; D266-N270 PolarHBondContact O-ND2 2.84Å; D266-R305 IonicContact OD1-CZ 3.48Å; D266-R305 IonicContact OD1-NH1 2.9Å; D266-R305 PolarHBondContact OD1-NH1 3.26Å; D266-R305 IonicContact OD1-NH2 3.55Å; D266-R305 IonicContact OD2-CZ 2.86Å; D266-R305 IonicContact OD2-NH1 3.45Å; D266-R305 PolarHBondContact OD2-NH1 3.2Å; D266-R305 IonicContact OD2-NH2 3.43Å; D266-R305 PolarHBondContact OD2-NH2 2.92Å; D266-P307 WeakPolarHBondContact OD1-CA 3.41Å; D266-G308 PolarHBondContact OD1-N 3.38Å
267	Y	98.4	Very high	96.8	Very high	59 Å²	59	34.4 Å²	34.4	23%	0.231	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-47.8	176.2	176.2	-92.8	0	0	0	111.8	W211 N212 A215 L263 F264 Y265 V269 N270 V271	W211-Y267 HydrophobicContact CB-CD1 3.71Å; W211-Y267 HydrophobicContact CB-CE1 3.5Å; W211-Y267 VanDerWaalsContact CB-CE1 3.5Å; W211-Y267 HydrophobicContact CB-CG 4.48Å; W211-Y267 HydrophobicContact CD2-CD1 4.02Å; W211-Y267 HydrophobicContact CD2-CG 4.07Å; W211-Y267 VanDerWaalsContact CE3-CB 3.5Å; W211-Y267 AromaticContact CE3-CD1 3.7Å; W211-Y267 HydrophobicContact CE3-CD1 3.7Å; W211-Y267 AromaticContact CE3-CD2 3.66Å; W211-Y267 HydrophobicContact CE3-CD2 3.66Å; W211-Y267 HydrophobicContact CE3-CE1 4.36Å; W211-Y267 HydrophobicContact CE3-CE2 4.31Å; W211-Y267 AromaticContact CE3-CG 3.31Å; W211-Y267 HydrophobicContact CE3-CG 3.31Å; W211-Y267 HydrophobicContact CG-CD1 4.1Å; W211-Y267 HydrophobicContact CG-CE1 4.36Å; W211-Y267 HydrophobicContact CZ3-CD2 4.1Å; W211-Y267 AromaticContact CZ3-CG 3.82Å; W211-Y267 HydrophobicContact CZ3-CG 3.82Å; W211-Y267 WeakPolarHBondContact O-CE1 3.48Å; N212-Y267 PolarHBondContact OD1-OH 2.64Å; N212-Y267 VanDerWaalsContact OD1-OH 3.07Å; A215-Y267 HydrophobicContact CB-CE1 3.91Å; L263-Y267 PolarHBondContact O-N 3.05Å; F264-Y267 WeakPolarHBondContact O-CB 3.29Å; F264-Y267 PolarHBondContact O-N 3.44Å; Y265-Y267 PolarHBondContact O-N 2.72Å; Y267-V269 PolarHBondContact O-N 3.18Å; Y267-N270 PolarHBondContact O-N 3.42Å; Y267-V271 HydrophobicContact CD1-CG2 4.43Å; Y267-V271 HydrophobicContact CE1-CG2 3.94Å; Y267-V271 HydrophobicContact CE2-CG2 4.49Å; Y267-V271 WeakPolarHBondContact O-CG2 3.4Å; Y267-V271 PolarHBondContact O-N 3.39Å
268	L	98.7	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-42.6	178.6	-63.9	-171.9	0	0	0	112.7	F214 L236 F264 Y265 N270 V271 I272	F214-L268 HydrophobicContact CB-CD2 3.66Å; L236-L268 HydrophobicContact CB-CD1 4.39Å; L236-L268 HydrophobicContact CD1-CB 4.49Å; L236-L268 HydrophobicContact CD2-CB 4.28Å; L236-L268 HydrophobicContact CD2-CD1 4.32Å; F264-L268 HydrophobicContact CD2-CD1 4.31Å; F264-L268 HydrophobicContact CD2-CG 4.15Å; F264-L268 HydrophobicContact CE1-CD1 3.9Å; F264-L268 HydrophobicContact CE2-CD1 3.69Å; F264-L268 HydrophobicContact CE2-CD2 3.91Å; F264-L268 HydrophobicContact CE2-CG 3.8Å; F264-L268 HydrophobicContact CZ-CD1 3.47Å; F264-L268 VanDerWaalsContact CZ-CD1 3.47Å; F264-L268 HydrophobicContact CZ-CD2 4.44Å; F264-L268 HydrophobicContact CZ-CG 4.13Å; F264-L268 WeakPolarHBondContact O-CG 3.24Å; F264-L268 PolarHBondContact O-N 3.26Å; F264-L268 VanDerWaalsContact O-N 3.08Å; Y265-L268 PolarHBondContact O-N 3.01Å; Y265-L268 VanDerWaalsContact O-N 3.15Å; L268-N270 VanDerWaalsContact C-N 3.33Å; L268-N270 PolarHBondContact O-N 3.15Å; L268-V271 WeakPolarHBondContact O-CB 3.22Å; L268-V271 PolarHBondContact O-N 3.44Å; L268-V271 VanDerWaalsContact O-N 3.16Å; L268-I272 WeakPolarHBondContact O-CG1 3.42Å; L268-I272 PolarHBondContact O-N 2.83Å
269	V	98.8	Very high	97.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-42.8	176.4	172.7	0	0	0	0	110.5	L236 Y265 Y267 V271 I272 R273 I281 P307	L236-V269 HydrophobicContact CD1-CG2 4.28Å; Y265-V269 WeakPolarHBondContact O-CB 3.22Å; Y265-V269 WeakPolarHBondContact O-CG2 3.41Å; Y265-V269 PolarHBondContact O-N 3.43Å; Y267-V269 PolarHBondContact O-N 3.18Å; V269-V271 VanDerWaalsContact C-N 3.26Å; V269-V271 PolarHBondContact O-N 3.47Å; V269-I272 PolarHBondContact O-N 3.34Å; V269-R273 HydrophobicContact CG1-CG 3.92Å; V269-R273 VanDerWaalsContact O-CB 3.29Å; V269-R273 WeakPolarHBondContact O-CB 3.31Å; V269-R273 WeakPolarHBondContact O-CG 3.43Å; V269-R273 PolarHBondContact O-N 2.92Å; V269-I281 HydrophobicContact CG1-CG1 4.37Å; V269-I281 HydrophobicContact CG2-CB 4.31Å; V269-I281 HydrophobicContact CG2-CD1 4.14Å; V269-I281 HydrophobicContact CG2-CG1 3.83Å; V269-I281 HydrophobicContact CG2-CG2 3.73Å; V269-P307 HydrophobicContact CG2-CB 3.76Å
270	N	98.4	Very high	97.6	Very high	56 Å²	56	33.8 Å²	33.8	30%	0.299	17%	0.167	S	C	.	.	H	α-helix	trans	-60.9	-36	175.6	-76	-42.8	0	0	0	112.5	D266 Y267 L268 Q274 Q311	D266-N270 WeakPolarHBondContact O-CB 3.44Å; D266-N270 PolarHBondContact O-N 2.98Å; D266-N270 PolarHBondContact O-ND2 2.84Å; Y267-N270 PolarHBondContact O-N 3.42Å; L268-N270 VanDerWaalsContact C-N 3.33Å; L268-N270 PolarHBondContact O-N 3.15Å; N270-Q274 WeakPolarHBondContact O-CG 3.36Å; N270-Q311 VanDerWaalsContact ND2-CD 3.32Å; N270-Q311 PolarHBondContact ND2-OE1 2.85Å; N270-Q311 WeakPolarHBondContact OD1-CG 3.35Å; N270-Q311 PolarHBondContact OD1-OE1 2.69Å
271	V	98.4	Very high	97.9	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-68.3	-51.4	173.4	170.7	0	0	0	0	111.4	A215 R219 Y267 L268 V269 R273 Q274	A215-V271 HydrophobicContact CB-CB 4.32Å; A215-V271 HydrophobicContact CB-CG1 3.85Å; A215-V271 HydrophobicContact CB-CG2 3.77Å; R219-V271 HydrophobicContact CG-CG1 3.67Å; Y267-V271 HydrophobicContact CD1-CG2 4.43Å; Y267-V271 HydrophobicContact CE1-CG2 3.94Å; Y267-V271 HydrophobicContact CE2-CG2 4.49Å; Y267-V271 WeakPolarHBondContact O-CG2 3.4Å; Y267-V271 PolarHBondContact O-N 3.39Å; L268-V271 WeakPolarHBondContact O-CB 3.22Å; L268-V271 PolarHBondContact O-N 3.44Å; L268-V271 VanDerWaalsContact O-N 3.16Å; V269-V271 VanDerWaalsContact C-N 3.26Å; V269-V271 PolarHBondContact O-N 3.47Å; V271-R273 PolarHBondContact O-N 3.38Å; V271-Q274 VanDerWaalsContact O-CB 3.3Å; V271-Q274 WeakPolarHBondContact O-CB 3.13Å; V271-Q274 PolarHBondContact O-N 3.46Å
272	I	98.8	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.4	-42.7	179.6	-73.6	164.8	0	0	0	110.5	W218 T222 Y234 L236 L268 V269 Q274 T275 D276 I281	W218-I272 HydrophobicContact CB-CD1 4.27Å; W218-I272 HydrophobicContact CB-CG1 3.84Å; W218-I272 HydrophobicContact CD2-CD1 3.95Å; W218-I272 HydrophobicContact CD2-CG1 4.41Å; W218-I272 HydrophobicContact CE3-CD1 4.08Å; W218-I272 HydrophobicContact CE3-CG1 4.47Å; W218-I272 HydrophobicContact CG-CD1 4.03Å; W218-I272 HydrophobicContact CG-CG1 4.16Å; T222-I272 HydrophobicContact CG2-CB 4.22Å; T222-I272 HydrophobicContact CG2-CG1 4.04Å; T222-I272 HydrophobicContact CG2-CG2 3.77Å; Y234-I272 HydrophobicContact CD2-CG2 3.98Å; Y234-I272 HydrophobicContact CE2-CG2 4.08Å; L236-I272 HydrophobicContact CD2-CD1 3.58Å; L268-I272 WeakPolarHBondContact O-CG1 3.42Å; L268-I272 PolarHBondContact O-N 2.83Å; V269-I272 PolarHBondContact O-N 3.34Å; I272-Q274 PolarHBondContact O-N 3.48Å; I272-Q274 VanDerWaalsContact O-N 3.1Å; I272-T275 PolarHBondContact O-N 3.15Å; I272-T275 VanDerWaalsContact O-N 3.11Å; I272-T275 PolarHBondContact O-OG1 3.48Å; I272-T275 VanDerWaalsContact O-OG1 3.11Å; I272-D276 PolarHBondContact O-N 3.47Å; I272-I281 HydrophobicContact CB-CD1 4.43Å; I272-I281 HydrophobicContact CD1-CD1 3.79Å; I272-I281 HydrophobicContact CG2-CD1 3.88Å
273	R	98.3	Very high	98.1	Very high	25 Å²	25	31.5 Å²	31.5	9%	0.094	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-6.3	-179.8	-65.9	-71.8	172.5	-115.2	4.2	113.4	V269 V271 D276 K277 T279	V269-R273 HydrophobicContact CG1-CG 3.92Å; V269-R273 VanDerWaalsContact O-CB 3.29Å; V269-R273 WeakPolarHBondContact O-CB 3.31Å; V269-R273 WeakPolarHBondContact O-CG 3.43Å; V269-R273 PolarHBondContact O-N 2.92Å; V271-R273 PolarHBondContact O-N 3.38Å; R273-D276 WeakPolarHBondContact CA-O 3.46Å; R273-D276 WeakPolarHBondContact CD-O 3.07Å; R273-D276 PolarHBondContact NH1-O 2.96Å; R273-K277 VanDerWaalsContact O-CD 3.23Å; R273-K277 WeakPolarHBondContact O-CD 3.37Å; R273-K277 WeakPolarHBondContact O-CE 3.35Å; R273-K277 PolarHBondContact O-NZ 3.25Å; R273-T279 PolarHBondContact NH1-O 3.47Å; R273-T279 PolarHBondContact NH2-O 3.39Å
274	Q	97.7	Very high	98.2	Very high	128 Å²	128	27.1 Å²	27.1	60%	0.598	13%	0.132	S	C	*	.	H	α-helix	trans	-74.3	-30.5	170.7	-68.1	168.9	2.3	0	0	112.2	N270 V271 I272	N270-Q274 WeakPolarHBondContact O-CG 3.36Å; V271-Q274 VanDerWaalsContact O-CB 3.3Å; V271-Q274 WeakPolarHBondContact O-CB 3.13Å; V271-Q274 PolarHBondContact O-N 3.46Å; I272-Q274 PolarHBondContact O-N 3.48Å; I272-Q274 VanDerWaalsContact O-N 3.1Å
275	T	97.6	Very high	98.1	Very high	67 Å²	67	27.3 Å²	27.3	41%	0.411	13%	0.133	S	C	.	.	H	α-helix	trans	-114.3	-30.3	-173.4	42.4	0	0	0	0	112.8	T222 I272	T222-T275 VanDerWaalsContact CB-OG1 3.24Å; T222-T275 WeakPolarHBondContact CB-OG1 3.23Å; T222-T275 PolarHBondContact OG1-OG1 3.16Å; I272-T275 PolarHBondContact O-N 3.15Å; I272-T275 VanDerWaalsContact O-N 3.11Å; I272-T275 PolarHBondContact O-OG1 3.48Å; I272-T275 VanDerWaalsContact O-OG1 3.11Å
276	D	98	Very high	98	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.043	13%	0.133	C	C	.	.			trans	-134.1	113	177.5	-173.4	-22.9	0	0	0	111.8	T222 G226 Y234 I272 R273 D278 T279	T222-D276 HydrophobicContact CG2-CB 4.26Å; G226-D276 WeakPolarHBondContact CA-OD2 3.3Å; Y234-D276 HydrophobicContact CE2-CB 4.37Å; Y234-D276 PolarHBondContact OH-OD2 3.07Å; I272-D276 PolarHBondContact O-N 3.47Å; R273-D276 WeakPolarHBondContact CA-O 3.46Å; R273-D276 WeakPolarHBondContact CD-O 3.07Å; R273-D276 PolarHBondContact NH1-O 2.96Å; D276-D278 PolarHBondContact OD1-N 3.42Å; D276-T279 PolarHBondContact OD1-N 2.85Å; D276-T279 PolarHBondContact OD1-OG1 3.13Å; D276-T279 WeakPolarHBondContact OD2-CB 3.16Å; D276-T279 PolarHBondContact OD2-OG1 2.99Å
277	K	96.2	Very high	97.7	Very high	122 Å²	122	29 Å²	29	53%	0.53	14%	0.144	S	C	.	.	S	Bend	trans	-83.3	-18.1	-176	-62.7	-63.6	-179.1	-176.8	0	114.3	R273 K318	R273-K277 VanDerWaalsContact O-CD 3.23Å; R273-K277 WeakPolarHBondContact O-CD 3.37Å; R273-K277 WeakPolarHBondContact O-CE 3.35Å; R273-K277 PolarHBondContact O-NZ 3.25Å; K277-K318 WeakPolarHBondContact O-CD 3.36Å; K277-K318 PolarHBondContact O-NZ 2.8Å
278	D	96.4	Very high	97.4	Very high	81 Å²	81	29.4 Å²	29.4	43%	0.433	15%	0.145	S	C	.	.	S	Bend	trans	-129.3	-29.9	-156.7	-61.1	-47.4	0	0	0	114.4	K46 D276 L280 K318	K46-D278 HydrophobicContact CB-CB 4.26Å; K46-D278 HydrophobicContact CG-CB 3.94Å; D276-D278 PolarHBondContact OD1-N 3.42Å; D278-L280 PolarHBondContact O-N 3.44Å; D278-K318 IonicContact OD1-NZ 3.36Å; D278-K318 PolarHBondContact OD1-NZ 3.24Å
279	T	98.4	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-60.2	139	177.7	-60.2	0	0	0	0	111.1	K46 V231 Y234 R273 D276	K46-T279 WeakPolarHBondContact CE-OG1 3.39Å; K46-T279 PolarHBondContact NZ-OG1 3.45Å; V231-T279 HydrophobicContact CG1-CG2 3.9Å; Y234-T279 HydrophobicContact CD2-CG2 3.74Å; Y234-T279 HydrophobicContact CE1-CG2 4.24Å; Y234-T279 HydrophobicContact CE2-CG2 3.42Å; Y234-T279 VanDerWaalsContact CE2-CG2 3.42Å; Y234-T279 HydrophobicContact CG-CG2 4.28Å; R273-T279 PolarHBondContact NH1-O 3.47Å; R273-T279 PolarHBondContact NH2-O 3.39Å; D276-T279 PolarHBondContact OD1-N 2.85Å; D276-T279 PolarHBondContact OD1-OG1 3.13Å; D276-T279 WeakPolarHBondContact OD2-CB 3.16Å; D276-T279 PolarHBondContact OD2-OG1 2.99Å
280	L	98.8	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	146.6	-176	-57.1	176.6	0	0	0	111.6	V47 I49 F56 L232 G233 Y234 D278 F282 K318 V320	V47-L280 HydrophobicContact CG1-CD1 4.34Å; I49-L280 HydrophobicContact CD1-CD1 4.21Å; I49-L280 HydrophobicContact CD1-CD2 4.43Å; I49-L280 HydrophobicContact CG1-CD2 4.07Å; F56-L280 HydrophobicContact CD1-CD1 3.82Å; F56-L280 HydrophobicContact CE1-CD1 3.74Å; L232-L280 HydrophobicContact CD1-CD1 3.81Å; L232-L280 HydrophobicContact CG-CD1 4.27Å; L232-L280 VanDerWaalsContact O-CB 3.25Å; L232-L280 WeakPolarHBondContact O-CB 3.31Å; L232-L280 VanDerWaalsContact O-CG 3.32Å; L232-L280 WeakPolarHBondContact O-CG 3.09Å; L232-L280 PolarHBondContact O-N 2.98Å; G233-L280 CarbonylContact C-O 3.58Å; G233-L280 WeakPolarHBondContact CA-O 3.48Å; Y234-L280 PolarHBondContact N-O 2.94Å; D278-L280 PolarHBondContact O-N 3.44Å; L280-F282 HydrophobicContact CB-CD2 4.24Å; L280-F282 HydrophobicContact CB-CE2 3.89Å; L280-F282 HydrophobicContact CD1-CE2 4.22Å; L280-K318 CarbonylContact C-O 3.56Å; L280-K318 WeakPolarHBondContact CA-O 3.33Å; L280-V320 HydrophobicContact CB-CG2 4.29Å; L280-V320 HydrophobicContact CD1-CG2 4.01Å
281	I	98.9	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.3	169.6	-58.5	-62	0	0	0	108.4	Y234 L236 V269 I272 K318 S319 V320	Y234-I281 HydrophobicContact CD2-CD1 4.27Å; L236-I281 HydrophobicContact CD1-CG2 3.74Å; L236-I281 HydrophobicContact CD2-CG2 4.27Å; L236-I281 HydrophobicContact CG-CG2 3.92Å; V269-I281 HydrophobicContact CG1-CG1 4.37Å; V269-I281 HydrophobicContact CG2-CB 4.31Å; V269-I281 HydrophobicContact CG2-CD1 4.14Å; V269-I281 HydrophobicContact CG2-CG1 3.83Å; V269-I281 HydrophobicContact CG2-CG2 3.73Å; I272-I281 HydrophobicContact CB-CD1 4.43Å; I272-I281 HydrophobicContact CD1-CD1 3.79Å; I272-I281 HydrophobicContact CG2-CD1 3.88Å; I281-K318 PolarHBondContact N-O 3.19Å; I281-S319 CarbonylContact O-C 3.59Å; I281-S319 VanDerWaalsContact O-CA 3.32Å; I281-S319 WeakPolarHBondContact O-CA 3.21Å; I281-V320 PolarHBondContact O-N 2.94Å
282	F	98.9	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.4	168.8	-75.4	-114.5	0	0	0	107.7	F56 I139 L232 Y234 E235 L236 L280 V320 F371 T373	F56-F282 HydrophobicContact CE1-CZ 4.18Å; F56-F282 HydrophobicContact CZ-CZ 4.44Å; I139-F282 HydrophobicContact CD1-CD1 4.3Å; I139-F282 HydrophobicContact CD1-CE1 3.64Å; I139-F282 HydrophobicContact CD1-CZ 3.84Å; I139-F282 HydrophobicContact CG1-CE1 4.23Å; I139-F282 HydrophobicContact CG1-CE2 4.36Å; I139-F282 HydrophobicContact CG1-CZ 4.02Å; I139-F282 HydrophobicContact CG2-CD1 4.39Å; I139-F282 HydrophobicContact CG2-CD2 4.43Å; I139-F282 HydrophobicContact CG2-CG 4.29Å; L232-F282 HydrophobicContact CD2-CZ 4.05Å; L232-F282 HydrophobicContact CG-CE2 4.23Å; L232-F282 HydrophobicContact CG-CZ 4.16Å; Y234-F282 PolarHBondContact O-N 3.06Å; E235-F282 WeakPolarHBondContact CA-O 3.13Å; E235-F282 HydrophobicContact CB-CB 3.76Å; E235-F282 HydrophobicContact CG-CB 4.07Å; L236-F282 PolarHBondContact N-O 3.03Å; L280-F282 HydrophobicContact CB-CD2 4.24Å; L280-F282 HydrophobicContact CB-CE2 3.89Å; L280-F282 HydrophobicContact CD1-CE2 4.22Å; F282-V320 WeakPolarHBondContact CA-O 3.49Å; F282-V320 HydrophobicContact CD1-CB 4.01Å; F282-V320 HydrophobicContact CD1-CG1 3.83Å; F282-V320 HydrophobicContact CD2-CB 4.2Å; F282-V320 HydrophobicContact CD2-CG2 4.34Å; F282-V320 HydrophobicContact CE1-CB 4.08Å; F282-V320 HydrophobicContact CE1-CG1 3.66Å; F282-V320 HydrophobicContact CE1-CG2 4.43Å; F282-V320 HydrophobicContact CE2-CB 4.25Å; F282-V320 HydrophobicContact CE2-CG2 4Å; F282-V320 HydrophobicContact CG-CB 4.08Å; F282-V320 HydrophobicContact CG-CG1 4.41Å; F282-V320 HydrophobicContact CZ-CB 4.19Å; F282-V320 HydrophobicContact CZ-CG1 4.08Å; F282-V320 HydrophobicContact CZ-CG2 4.06Å; F282-F371 HydrophobicContact CD1-CB 4.33Å; F282-F371 HydrophobicContact CE1-CB 3.71Å; F282-F371 AromaticContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CE2 4.43Å; F282-F371 AromaticContact CE1-CG 3.74Å; F282-F371 HydrophobicContact CE1-CG 3.74Å; F282-F371 HydrophobicContact CZ-CD2 4.07Å; F282-T373 HydrophobicContact CD1-CG2 4.03Å; F282-T373 HydrophobicContact CE1-CG2 4.35Å
283	Y	98.6	Very high	96.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.7	-179.8	70.7	-84.5	0	0	0	110	Y265 M303 V306 P307 V320 L321 S322	Y265-Y283 HydrophobicContact CE2-CD2 4.45Å; Y283-M303 HydrophobicContact CD2-SD 3.81Å; Y283-M303 HydrophobicContact CE2-SD 3.81Å; Y283-V306 HydrophobicContact CE1-CB 4.36Å; Y283-V306 HydrophobicContact CE1-CG1 4.2Å; Y283-P307 HydrophobicContact CD1-CG 3.95Å; Y283-P307 HydrophobicContact CD2-CG 4.04Å; Y283-P307 HydrophobicContact CG-CG 3.69Å; Y283-V320 WeakPolarHBondContact CD1-O 3.3Å; Y283-V320 WeakPolarHBondContact CE1-O 3.31Å; Y283-V320 PolarHBondContact N-O 3.14Å; Y283-L321 HydrophobicContact CD2-CD1 4.32Å; Y283-L321 HydrophobicContact CE2-CD1 3.81Å; Y283-S322 PolarHBondContact O-N 2.97Å
284	E	98	Very high	96	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.8	177.1	-67.9	-173.4	-139	0	0	110.7	R101 E235 N238 E239 P240 Y265 S322 H324	R101-E284 IonicContact NH2-OE1 2.62Å; E235-E284 VanDerWaalsContact OE1-OE1 3.1Å; N238-E284 WeakPolarHBondContact CA-OE1 3.26Å; E239-E284 VanDerWaalsContact CA-OE2 3.29Å; E239-E284 WeakPolarHBondContact CA-OE2 3.45Å; E239-E284 PolarHBondContact N-OE1 3.14Å; E239-E284 PolarHBondContact N-OE2 3.43Å; P240-E284 HydrophobicContact CG-CB 4.11Å; Y265-E284 WeakPolarHBondContact CE2-O 3.4Å; Y265-E284 PolarHBondContact OH-O 3.32Å; E284-S322 WeakPolarHBondContact CG-OG 3.16Å; E284-H324 IonicContact OE1-CE1 3.71Å; E284-H324 IonicContact OE1-NE2 3.19Å
285	S	96.5	Very high	95.6	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.028	18%	0.181	C	C	.	.			trans	-70.2	179	159.9	67.4	0	0	0	0	110.2	P240 T287	P240-S285 WeakPolarHBondContact CG-O 3.35Å; S285-T287 PolarHBondContact O-N 3.06Å
286	V	95.5	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-49.5	139.9	159.1	-69.1	0	0	0	0	109.5	P240 P254 A257 L261 Y288 G289	P240-V286 VanDerWaalsContact O-CA 3.29Å; P240-V286 WeakPolarHBondContact O-CA 3.29Å; P254-V286 HydrophobicContact CB-CG2 3.88Å; P254-V286 HydrophobicContact CG-CG2 4.13Å; A257-V286 HydrophobicContact CB-CG1 3.6Å; L261-V286 HydrophobicContact CD1-CG1 3.67Å; V286-Y288 HydrophobicContact CB-CE1 4.43Å; V286-Y288 HydrophobicContact CG2-CD2 4.32Å; V286-Y288 HydrophobicContact CG2-CE2 4Å; V286-Y288 PolarHBondContact O-N 3.07Å; V286-G289 WeakPolarHBondContact O-CA 3.28Å; V286-G289 PolarHBondContact O-N 3.12Å
287	T	91.8	Very high	94.8	Very high	45 Å²	45	42.1 Å²	42.1	28%	0.276	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.9	-166.3	-45.9	0	0	0	0	113.5	E239 P240 S285	E239-T287 WeakPolarHBondContact CA-OG1 3.12Å; E239-T287 HydrophobicContact CB-CG2 4.24Å; E239-T287 WeakPolarHBondContact CB-OG1 3.46Å; E239-T287 HydrophobicContact CG-CG2 3.98Å; P240-T287 PolarHBondContact O-N 3.26Å; S285-T287 PolarHBondContact O-N 3.06Å
288	Y	92.4	Very high	94.5	Very high	66 Å²	66	38 Å²	38	26%	0.259	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.4	-179.4	55.3	-97.2	0	0	0	114.9	P242 L252 P254 V286 I290 Y291 F292	P242-Y288 HydrophobicContact CG-CE1 4.46Å; L252-Y288 PolarHBondContact O-OH 2.94Å; P254-Y288 HydrophobicContact CG-CD2 3.91Å; P254-Y288 HydrophobicContact CG-CE2 3.67Å; V286-Y288 HydrophobicContact CB-CE1 4.43Å; V286-Y288 HydrophobicContact CG2-CD2 4.32Å; V286-Y288 HydrophobicContact CG2-CE2 4Å; V286-Y288 PolarHBondContact O-N 3.07Å; Y288-I290 VanDerWaalsContact C-N 3.29Å; Y288-I290 PolarHBondContact O-N 2.84Å; Y288-Y291 PolarHBondContact O-N 3.36Å; Y288-Y291 VanDerWaalsContact O-N 3.08Å; Y288-F292 HydrophobicContact CD2-CD2 4.11Å; Y288-F292 AromaticContact CD2-CE2 3.6Å; Y288-F292 HydrophobicContact CD2-CE2 3.6Å; Y288-F292 HydrophobicContact CD2-CZ 4.44Å; Y288-F292 HydrophobicContact CE2-CE2 4.14Å
289	G	94.1	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.5	-32.4	-173.2	0	0	0	0	0	113.9	V286 Y291 F292 G300	V286-G289 WeakPolarHBondContact O-CA 3.28Å; V286-G289 PolarHBondContact O-N 3.12Å; G289-Y291 PolarHBondContact O-N 3.38Å; G289-Y291 VanDerWaalsContact O-N 3.17Å; G289-F292 PolarHBondContact O-N 3.23Å; G289-F292 VanDerWaalsContact O-N 3.15Å; G289-G300 CarbonylContact O-C 3.35Å; G289-G300 VanDerWaalsContact O-C 3.3Å; G289-G300 VanDerWaalsContact O-O 3.08Å
290	I	94.6	Very high	94	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.3	-15.7	177.4	67.6	170	0	0	0	113.5	Y288 Y323 H324 A355 N358 V359	Y288-I290 VanDerWaalsContact C-N 3.29Å; Y288-I290 PolarHBondContact O-N 2.84Å; I290-Y323 HydrophobicContact CD1-CD2 3.61Å; I290-Y323 HydrophobicContact CD1-CE2 4.47Å; I290-Y323 HydrophobicContact CD1-CG 4.29Å; I290-H324 VanDerWaalsContact CD1-O 3.28Å; I290-H324 WeakPolarHBondContact CD1-O 3.34Å; I290-A355 HydrophobicContact CD1-CB 4.47Å; I290-N358 PolarHBondContact O-ND2 3.25Å; I290-V359 HydrophobicContact CB-CG2 4.01Å; I290-V359 HydrophobicContact CD1-CG2 4.45Å; I290-V359 HydrophobicContact CG2-CG2 3.92Å
291	Y	94.1	Very high	93.8	Very high	40 Å²	40	34.7 Å²	34.7	16%	0.157	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-91	-7.7	178.4	-58	-74	0	0	0	112.8	Y288 G289 Y325 W328 L351 Y354 A355	Y288-Y291 PolarHBondContact O-N 3.36Å; Y288-Y291 VanDerWaalsContact O-N 3.08Å; G289-Y291 PolarHBondContact O-N 3.38Å; G289-Y291 VanDerWaalsContact O-N 3.17Å; Y291-Y325 HydrophobicContact CE1-CD2 4.32Å; Y291-Y325 HydrophobicContact CE1-CE2 4.46Å; Y291-Y325 WeakPolarHBondContact OH-CD2 3.25Å; Y291-W328 HydrophobicContact CD1-CZ3 4.26Å; Y291-W328 HydrophobicContact CD2-CZ3 4.32Å; Y291-W328 HydrophobicContact CE1-CZ3 4.41Å; Y291-W328 HydrophobicContact CE2-CZ3 4.5Å; Y291-W328 HydrophobicContact CG-CZ3 4.21Å; Y291-L351 HydrophobicContact CD1-CD1 3.45Å; Y291-L351 VanDerWaalsContact CD1-CD1 3.45Å; Y291-L351 HydrophobicContact CD1-CG 4.32Å; Y291-L351 HydrophobicContact CE1-CD1 3.57Å; Y291-L351 HydrophobicContact CE1-CD2 4.47Å; Y291-L351 HydrophobicContact CE1-CG 3.94Å; Y291-L351 HydrophobicContact CG-CD1 4.47Å; Y291-Y354 WeakPolarHBondContact O-CE1 3.36Å; Y291-Y354 PolarHBondContact O-OH 3.33Å; Y291-A355 HydrophobicContact CD1-CB 4.29Å; Y291-A355 HydrophobicContact CE1-CB 3.84Å
292	F	94.1	Very high	93.6	Very high	79 Å²	79	34.8 Å²	34.8	35%	0.346	20%	0.195	S	C	.	.	S	Bend	trans	-89.5	142.4	178.7	-82.7	-107.7	0	0	0	111.7	P254 Y288 G289 G300 Y354 N358	P254-F292 HydrophobicContact CG-CB 4.15Å; P254-F292 HydrophobicContact CG-CD1 4.09Å; P254-F292 HydrophobicContact CG-CD2 3.61Å; P254-F292 HydrophobicContact CG-CE1 4.41Å; P254-F292 HydrophobicContact CG-CE2 3.98Å; P254-F292 HydrophobicContact CG-CG 3.67Å; P254-F292 HydrophobicContact CG-CZ 4.35Å; Y288-F292 HydrophobicContact CD2-CD2 4.11Å; Y288-F292 AromaticContact CD2-CE2 3.6Å; Y288-F292 HydrophobicContact CD2-CE2 3.6Å; Y288-F292 HydrophobicContact CD2-CZ 4.44Å; Y288-F292 HydrophobicContact CE2-CE2 4.14Å; G289-F292 PolarHBondContact O-N 3.23Å; G289-F292 VanDerWaalsContact O-N 3.15Å; F292-G300 WeakPolarHBondContact O-CA 3.2Å; F292-Y354 PolarHBondContact O-OH 2.79Å; F292-N358 PolarHBondContact O-ND2 3.34Å
293	P	92.9	Very high	93.4	Very high	71 Å²	71	34.8 Å²	34.8	46%	0.461	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-75.5	166.5	179.1	32.6	-36.2	0	0	0	111.4	G300 Y354	P293-G300 WeakPolarHBondContact O-CA 3.4Å; P293-Y354 WeakPolarHBondContact CA-OH 3.45Å; P293-Y354 VanDerWaalsContact N-OH 3.14Å
294	F	92.6	Very high	93.2	Very high	69 Å²	69	40 Å²	40	30%	0.303	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-65.2	136.6	166.5	-77.2	-112.9	0	0	0	110.7	I298 P299 S361 I362	F294-I298 CarbonylContact C-O 3.46Å; F294-I298 WeakPolarHBondContact CA-O 3.27Å; F294-P299 HydrophobicContact CD1-CB 4.5Å; F294-P299 HydrophobicContact CD1-CG 4.33Å; F294-P299 HydrophobicContact CE1-CB 3.98Å; F294-P299 HydrophobicContact CE1-CG 3.63Å; F294-P299 HydrophobicContact CZ-CB 4.05Å; F294-P299 HydrophobicContact CZ-CG 4.03Å; F294-S361 WeakPolarHBondContact CZ-O 3.19Å; F294-I362 HydrophobicContact CE2-CG1 3.99Å; F294-I362 HydrophobicContact CZ-CG1 4.14Å
295	V	90	Very high	93.1	Very high	85 Å²	85	41.8 Å²	41.8	52%	0.515	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-125.8	120.3	174.6	-178.3	0	0	0	0	108.4	G297 I298	V295-G297 PolarHBondContact O-N 2.64Å; V295-I298 PolarHBondContact N-O 2.88Å; V295-I298 WeakPolarHBondContact O-CB 3.1Å; V295-I298 PolarHBondContact O-N 2.9Å
296	N	89	Confident	93.2	Very high	159 Å²	159	41.6 Å²	41.6	85%	0.85	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	38.9	-177.3	-58.9	-29.3	0	0	0	113.5	I298	N296-I298 PolarHBondContact O-N 3.32Å
297	G	88.6	Confident	93.3	Very high	56 Å²	56	41.6 Å²	41.6	58%	0.577	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-0.3	-178.6	0	0	0	0	0	115	V295	V295-G297 PolarHBondContact O-N 2.64Å
298	I	90.9	Very high	93.6	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.185	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-88	127.5	176.1	-53.6	-175.5	0	0	0	108.9	F294 V295 N296 Q304	F294-I298 CarbonylContact C-O 3.46Å; F294-I298 WeakPolarHBondContact CA-O 3.27Å; V295-I298 PolarHBondContact N-O 2.88Å; V295-I298 WeakPolarHBondContact O-CB 3.1Å; V295-I298 PolarHBondContact O-N 2.9Å; N296-I298 PolarHBondContact O-N 3.32Å; I298-Q304 HydrophobicContact CG2-CG 3.91Å
299	P	93.4	Very high	93.9	Very high	2 Å²	2	38 Å²	38	1%	0.013	21%	0.209	C	C	.	.			trans	-52.8	145.5	173.4	-29	37.1	0	0	0	112.9	F294 T301 G302 M303 I362 T366	F294-P299 HydrophobicContact CD1-CB 4.5Å; F294-P299 HydrophobicContact CD1-CG 4.33Å; F294-P299 HydrophobicContact CE1-CB 3.98Å; F294-P299 HydrophobicContact CE1-CG 3.63Å; F294-P299 HydrophobicContact CZ-CB 4.05Å; F294-P299 HydrophobicContact CZ-CG 4.03Å; P299-T301 PolarHBondContact O-N 3.45Å; P299-G302 PolarHBondContact O-N 3.18Å; P299-M303 WeakPolarHBondContact CG-O 3.33Å; P299-I362 HydrophobicContact CB-CG1 4.15Å; P299-I362 HydrophobicContact CB-CG2 4.24Å; P299-T366 HydrophobicContact CG-CG2 4.26Å
300	G	90.7	Very high	94	Very high	7 Å²	7	43.5 Å²	43.5	7%	0.072	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-8.9	176.3	0	0	0	0	0	114.5	P254 G289 F292 P293	P254-G300 WeakPolarHBondContact CB-O 3.17Å; P254-G300 WeakPolarHBondContact CG-O 3.48Å; G289-G300 CarbonylContact O-C 3.35Å; G289-G300 VanDerWaalsContact O-C 3.3Å; G289-G300 VanDerWaalsContact O-O 3.08Å; F292-G300 WeakPolarHBondContact O-CA 3.2Å; P293-G300 WeakPolarHBondContact O-CA 3.4Å
301	T	94.9	Very high	94.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15	171.2	57.8	0	0	0	0	113.4	G258 P299 M303 I362	G258-T301 WeakPolarHBondContact CA-O 3.42Å; P299-T301 PolarHBondContact O-N 3.45Å; T301-M303 PolarHBondContact O-N 2.75Å; T301-M303 PolarHBondContact OG1-N 3.01Å; T301-I362 HydrophobicContact CG2-CD1 3.68Å; T301-I362 HydrophobicContact CG2-CG1 4.35Å; T301-I362 HydrophobicContact CG2-CG2 4.19Å
302	G	93.9	Very high	94.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	74	-4.2	-168.4	0	0	0	0	0	115.5	N255 P299	N255-G302 VanDerWaalsContact CA-CA 3.49Å; P299-G302 PolarHBondContact O-N 3.18Å
303	M	95	Very high	94.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.29	C	S	.	.			trans	-96.3	114.2	179.8	-61.6	178.4	178.2	0	0	109.1	L261 L262 Y265 Y283 P299 T301 T366	L261-M303 HydrophobicContact CB-CE 3.58Å; L261-M303 HydrophobicContact CD1-CE 4.23Å; L262-M303 HydrophobicContact CB-CG 4.35Å; Y265-M303 HydrophobicContact CD2-CE 4.1Å; Y265-M303 HydrophobicContact CE2-CE 3.7Å; Y283-M303 HydrophobicContact CD2-SD 3.81Å; Y283-M303 HydrophobicContact CE2-SD 3.81Å; P299-M303 WeakPolarHBondContact CG-O 3.33Å; T301-M303 PolarHBondContact O-N 2.75Å; T301-M303 PolarHBondContact OG1-N 3.01Å; M303-T366 VanDerWaalsContact O-CG2 3.23Å; M303-T366 WeakPolarHBondContact O-CG2 3.44Å
304	Q	94.6	Very high	94.4	Very high	112 Å²	112	54.6 Å²	54.6	52%	0.523	29%	0.289	S	S	.	.	S	Bend	trans	-91.9	-1.1	-178.9	-63	178.1	-72.2	0	0	113.4	I298	I298-Q304 HydrophobicContact CG2-CG 3.91Å
305	R	96.2	Very high	94.7	Very high	40 Å²	40	51.6 Å²	51.6	15%	0.151	28%	0.276	C	S	.	.	S	Bend	trans	-157.4	162	-177.9	55.1	175.8	176.1	78.9	0.3	109.6	L262 D266 L309 L310	L262-R305 HydrophobicContact CD2-CG 3.84Å; D266-R305 IonicContact OD1-CZ 3.48Å; D266-R305 IonicContact OD1-NH1 2.9Å; D266-R305 PolarHBondContact OD1-NH1 3.26Å; D266-R305 IonicContact OD1-NH2 3.55Å; D266-R305 IonicContact OD2-CZ 2.86Å; D266-R305 IonicContact OD2-NH1 3.45Å; D266-R305 PolarHBondContact OD2-NH1 3.2Å; D266-R305 IonicContact OD2-NH2 3.43Å; D266-R305 PolarHBondContact OD2-NH2 2.92Å; R305-L309 HydrophobicContact CB-CB 4.38Å; R305-L309 HydrophobicContact CB-CD2 3.67Å; R305-L310 VanDerWaalsContact NH2-CD1 3.3Å
306	V	97.9	Very high	95	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.			trans	-68.6	151.9	167.3	-58.5	0	0	0	0	111.1	Y283 L309 A315 R316 G367	Y283-V306 HydrophobicContact CE1-CB 4.36Å; Y283-V306 HydrophobicContact CE1-CG1 4.2Å; V306-L309 HydrophobicContact CG2-CB 3.95Å; V306-L309 HydrophobicContact CG2-CD1 4.4Å; V306-L309 WeakPolarHBondContact O-CB 3.46Å; V306-L309 PolarHBondContact O-N 3.01Å; V306-A315 HydrophobicContact CG2-CB 3.85Å; V306-R316 HydrophobicContact CG2-CG 3.93Å; V306-G367 VanDerWaalsContact CG1-O 3.25Å; V306-G367 WeakPolarHBondContact CG1-O 3.5Å
307	P	98.3	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	141.8	170.8	-25.2	35.8	0	0	0	112.6	L262 Y265 D266 V269 Y283 L309	L262-P307 HydrophobicContact CD1-CB 4.33Å; L262-P307 HydrophobicContact CD1-CG 3.96Å; Y265-P307 HydrophobicContact CD2-CG 3.95Å; Y265-P307 HydrophobicContact CG-CG 4.27Å; D266-P307 WeakPolarHBondContact OD1-CA 3.41Å; V269-P307 HydrophobicContact CG2-CB 3.76Å; Y283-P307 HydrophobicContact CD1-CG 3.95Å; Y283-P307 HydrophobicContact CD2-CG 4.04Å; Y283-P307 HydrophobicContact CG-CG 3.69Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 2.86Å
308	G	98	Very high	95.9	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-7.4	179.6	0	0	0	0	0	115.3	D266 L310 Q311 D312	D266-G308 PolarHBondContact OD1-N 3.38Å; G308-L310 PolarHBondContact O-N 3.21Å; G308-L310 VanDerWaalsContact O-N 3.13Å; G308-Q311 PolarHBondContact O-N 2.76Å; G308-D312 PolarHBondContact O-N 3.12Å
309	L	97.7	Very high	96.3	Very high	35 Å²	35	44.9 Å²	44.9	18%	0.183	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.8	-177.6	-171.4	64	0	0	0	113.6	R305 V306 P307 Q311 A315 R316	R305-L309 HydrophobicContact CB-CB 4.38Å; R305-L309 HydrophobicContact CB-CD2 3.67Å; V306-L309 HydrophobicContact CG2-CB 3.95Å; V306-L309 HydrophobicContact CG2-CD1 4.4Å; V306-L309 WeakPolarHBondContact O-CB 3.46Å; V306-L309 PolarHBondContact O-N 3.01Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 2.86Å; L309-Q311 PolarHBondContact O-N 2.83Å; L309-A315 HydrophobicContact CB-CB 4.34Å; L309-A315 HydrophobicContact CD1-CB 4.27Å; L309-R316 HydrophobicContact CD1-CG 4.06Å
310	L	96.8	Very high	96.5	Very high	114 Å²	114	44.8 Å²	44.8	60%	0.597	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.2	177.5	-64.2	-177.7	0	0	0	113.1	R305 G308	R305-L310 VanDerWaalsContact NH2-CD1 3.3Å; G308-L310 PolarHBondContact O-N 3.21Å; G308-L310 VanDerWaalsContact O-N 3.13Å
311	Q	97	Very high	96.9	Very high	108 Å²	108	44.5 Å²	44.5	51%	0.505	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-28.4	-179.1	-68.9	80.1	40.2	0	0	112.9	N270 G308 L309	N270-Q311 VanDerWaalsContact ND2-CD 3.32Å; N270-Q311 PolarHBondContact ND2-OE1 2.85Å; N270-Q311 WeakPolarHBondContact OD1-CG 3.35Å; N270-Q311 PolarHBondContact OD1-OE1 2.69Å; G308-Q311 PolarHBondContact O-N 2.76Å; L309-Q311 PolarHBondContact O-N 2.83Å
312	D	96.8	Very high	97.1	Very high	54 Å²	54	44.4 Å²	44.4	29%	0.289	21%	0.209	S	C	.	.			trans	-138.9	112.9	-178.4	-177.2	6.8	0	0	0	110.5	G308 M314 A315	G308-D312 PolarHBondContact O-N 3.12Å; D312-M314 PolarHBondContact O-N 2.89Å; D312-M314 VanDerWaalsContact O-N 3.16Å; D312-M314 VanDerWaalsContact OD1-CB 3.28Å; D312-M314 WeakPolarHBondContact OD1-CB 3.34Å; D312-M314 PolarHBondContact OD1-N 3.28Å; D312-A315 WeakPolarHBondContact O-CB 3.25Å; D312-A315 PolarHBondContact O-N 2.9Å
313	E	94.6	Very high	97.3	Very high	176 Å²	176	44.5 Å²	44.5	82%	0.822	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-60.5	-23.8	175.9	-65.9	-175.4	168.8	0	0	112.3	A315	E313-A315 PolarHBondContact O-N 3.14Å
314	M	96	Very high	97.4	Very high	88 Å²	88	44.7 Å²	44.7	43%	0.433	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-80.4	-0	177	-61.2	-67.4	-72.8	0	0	113.1	D312 R316 K317	D312-M314 PolarHBondContact O-N 2.89Å; D312-M314 VanDerWaalsContact O-N 3.16Å; D312-M314 VanDerWaalsContact OD1-CB 3.28Å; D312-M314 WeakPolarHBondContact OD1-CB 3.34Å; D312-M314 PolarHBondContact OD1-N 3.28Å; M314-R316 PolarHBondContact O-N 2.95Å; M314-K317 HydrophobicContact CE-CD 3.67Å; M314-K317 PolarHBondContact O-N 3.29Å; M314-K317 HydrophobicContact SD-CD 4.34Å
315	A	97.9	Very high	97.5	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.041	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.3	178.9	0	0	0	0	0	112.4	V306 L309 D312 E313 K317 K318 S319	V306-A315 HydrophobicContact CG2-CB 3.85Å; L309-A315 HydrophobicContact CB-CB 4.34Å; L309-A315 HydrophobicContact CD1-CB 4.27Å; D312-A315 WeakPolarHBondContact O-CB 3.25Å; D312-A315 PolarHBondContact O-N 2.9Å; E313-A315 PolarHBondContact O-N 3.14Å; A315-K317 PolarHBondContact O-N 3.32Å; A315-K318 CarbonylContact O-C 3.51Å; A315-K318 VanDerWaalsContact O-C 3.31Å; A315-K318 WeakPolarHBondContact O-CA 3.37Å; A315-K318 PolarHBondContact O-N 2.72Å; A315-S319 WeakPolarHBondContact O-CB 3.43Å; A315-S319 PolarHBondContact O-N 3.17Å; A315-S319 VanDerWaalsContact O-N 3.08Å; A315-S319 PolarHBondContact O-OG 3.3Å; A315-S319 VanDerWaalsContact O-OG 3.05Å
316	R	97.7	Very high	97.4	Very high	88 Å²	88	39.4 Å²	39.4	33%	0.332	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-59.1	-33.3	176.2	-71.1	179.2	172.3	167.4	1.8	113.1	D51 V306 L309 M314 K318 T366 G368	D51-R316 VanDerWaalsContact OD1-CB 3.23Å; D51-R316 WeakPolarHBondContact OD1-CB 3.45Å; D51-R316 WeakPolarHBondContact OD1-CD 3.5Å; V306-R316 HydrophobicContact CG2-CG 3.93Å; L309-R316 HydrophobicContact CD1-CG 4.06Å; M314-R316 PolarHBondContact O-N 2.95Å; R316-K318 PolarHBondContact O-N 2.86Å; R316-T366 PolarHBondContact NE-O 3.27Å; R316-T366 VanDerWaalsContact NE-O 3.07Å; R316-G368 VanDerWaalsContact O-CA 3.29Å; R316-G368 WeakPolarHBondContact O-CA 3.4Å
317	K	98.1	Very high	97.2	Very high	77 Å²	77	39.6 Å²	39.6	34%	0.335	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-78.6	-0.6	176.6	-56.8	-166.1	-171.9	176.6	0	113.3	I49 D51 M314 A315	I49-K317 PolarHBondContact N-O 3.06Å; I49-K317 WeakPolarHBondContact O-CA 3.48Å; I49-K317 WeakPolarHBondContact O-CB 3.3Å; D51-K317 HydrophobicContact CB-CD 4.47Å; D51-K317 HydrophobicContact CB-CG 4.1Å; M314-K317 HydrophobicContact CE-CD 3.67Å; M314-K317 PolarHBondContact O-N 3.29Å; M314-K317 HydrophobicContact SD-CD 4.34Å; A315-K317 PolarHBondContact O-N 3.32Å
318	K	97.9	Very high	96.8	Very high	29 Å²	29	46.1 Å²	46.1	13%	0.126	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-136.6	16.5	-170.7	-56.5	179.1	-179.4	-178.4	0	113	K277 D278 L280 I281 A315 R316	K277-K318 WeakPolarHBondContact O-CD 3.36Å; K277-K318 PolarHBondContact O-NZ 2.8Å; D278-K318 IonicContact OD1-NZ 3.36Å; D278-K318 PolarHBondContact OD1-NZ 3.24Å; L280-K318 CarbonylContact C-O 3.56Å; L280-K318 WeakPolarHBondContact CA-O 3.33Å; I281-K318 PolarHBondContact N-O 3.19Å; A315-K318 CarbonylContact O-C 3.51Å; A315-K318 VanDerWaalsContact O-C 3.31Å; A315-K318 WeakPolarHBondContact O-CA 3.37Å; A315-K318 PolarHBondContact O-N 2.72Å; R316-K318 PolarHBondContact O-N 2.86Å
319	S	98.6	Very high	96.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.9	-176.6	-68.8	0	0	0	0	111	I281 A315 G368 G369	I281-S319 CarbonylContact O-C 3.59Å; I281-S319 VanDerWaalsContact O-CA 3.32Å; I281-S319 WeakPolarHBondContact O-CA 3.21Å; A315-S319 WeakPolarHBondContact O-CB 3.43Å; A315-S319 PolarHBondContact O-N 3.17Å; A315-S319 VanDerWaalsContact O-N 3.08Å; A315-S319 PolarHBondContact O-OG 3.3Å; A315-S319 VanDerWaalsContact O-OG 3.05Å; S319-G368 CarbonylContact O-C 3.55Å; S319-G368 VanDerWaalsContact O-CA 3.23Å; S319-G368 WeakPolarHBondContact O-CA 3.49Å; S319-G369 PolarHBondContact O-N 2.97Å
320	V	98.8	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124	-176	-177.1	0	0	0	0	108.1	I49 F56 L280 I281 F282 Y283 S322 G369 F371	I49-V320 HydrophobicContact CD1-CG2 3.91Å; I49-V320 HydrophobicContact CG1-CG2 4.2Å; F56-V320 HydrophobicContact CE1-CG1 4.37Å; F56-V320 HydrophobicContact CE1-CG2 3.72Å; F56-V320 HydrophobicContact CZ-CG1 3.86Å; F56-V320 HydrophobicContact CZ-CG2 4.02Å; L280-V320 HydrophobicContact CB-CG2 4.29Å; L280-V320 HydrophobicContact CD1-CG2 4.01Å; I281-V320 PolarHBondContact O-N 2.94Å; F282-V320 WeakPolarHBondContact CA-O 3.49Å; F282-V320 HydrophobicContact CD1-CB 4.01Å; F282-V320 HydrophobicContact CD1-CG1 3.83Å; F282-V320 HydrophobicContact CD2-CB 4.2Å; F282-V320 HydrophobicContact CD2-CG2 4.34Å; F282-V320 HydrophobicContact CE1-CB 4.08Å; F282-V320 HydrophobicContact CE1-CG1 3.66Å; F282-V320 HydrophobicContact CE1-CG2 4.43Å; F282-V320 HydrophobicContact CE2-CB 4.25Å; F282-V320 HydrophobicContact CE2-CG2 4Å; F282-V320 HydrophobicContact CG-CB 4.08Å; F282-V320 HydrophobicContact CG-CG1 4.41Å; F282-V320 HydrophobicContact CZ-CB 4.19Å; F282-V320 HydrophobicContact CZ-CG1 4.08Å; F282-V320 HydrophobicContact CZ-CG2 4.06Å; Y283-V320 WeakPolarHBondContact CD1-O 3.3Å; Y283-V320 WeakPolarHBondContact CE1-O 3.31Å; Y283-V320 PolarHBondContact N-O 3.14Å; V320-S322 PolarHBondContact O-N 3.28Å; V320-S322 VanDerWaalsContact O-N 3.11Å; V320-G369 WeakPolarHBondContact CA-O 3.43Å; V320-F371 HydrophobicContact CG1-CB 3.72Å
321	L	98.5	Very high	95.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	105.1	166.7	178.7	62.8	0	0	0	108.2	Y283 V359 I362 V363 G369 R370 F371	Y283-L321 HydrophobicContact CD2-CD1 4.32Å; Y283-L321 HydrophobicContact CE2-CD1 3.81Å; L321-V359 HydrophobicContact CD2-CG1 4.21Å; L321-I362 HydrophobicContact CD2-CB 4.21Å; L321-I362 HydrophobicContact CD2-CG2 3.71Å; L321-V363 HydrophobicContact CB-CG2 3.95Å; L321-V363 HydrophobicContact CD2-CG2 4.02Å; L321-G369 PolarHBondContact N-O 2.62Å; L321-R370 WeakPolarHBondContact O-CA 3.36Å; L321-F371 PolarHBondContact O-N 3.19Å
322	S	98.7	Very high	94.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137.9	166.9	174.4	0	0	0	0	108.4	E235 Y283 E284 V320 T373	E235-S322 PolarHBondContact OE1-OG 2.78Å; Y283-S322 PolarHBondContact O-N 2.97Å; E284-S322 WeakPolarHBondContact CG-OG 3.16Å; V320-S322 PolarHBondContact O-N 3.28Å; V320-S322 VanDerWaalsContact O-N 3.11Å; S322-T373 WeakPolarHBondContact OG-CB 3.23Å; S322-T373 WeakPolarHBondContact OG-CG2 3.35Å; S322-T373 PolarHBondContact OG-OG1 2.93Å
323	Y	98.2	Very high	94.4	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	152.5	176.8	74.9	-81.8	0	0	0	112.4	I290 F356 V359 R370 F371 L372 T373 E404	I290-Y323 HydrophobicContact CD1-CD2 3.61Å; I290-Y323 HydrophobicContact CD1-CE2 4.47Å; I290-Y323 HydrophobicContact CD1-CG 4.29Å; Y323-F356 WeakPolarHBondContact OH-CE1 3.49Å; Y323-V359 HydrophobicContact CD1-CG1 3.83Å; Y323-V359 HydrophobicContact CD1-CG2 4.06Å; Y323-V359 HydrophobicContact CD2-CG2 3.88Å; Y323-V359 HydrophobicContact CE1-CB 4.38Å; Y323-V359 HydrophobicContact CE1-CG1 3.6Å; Y323-V359 HydrophobicContact CE1-CG2 4.18Å; Y323-V359 HydrophobicContact CE2-CG2 3.98Å; Y323-V359 HydrophobicContact CG-CG2 3.9Å; Y323-R370 HydrophobicContact CE1-CB 4.47Å; Y323-F371 WeakPolarHBondContact CD1-O 3.44Å; Y323-F371 PolarHBondContact N-O 3.35Å; Y323-F371 VanDerWaalsContact N-O 3.16Å; Y323-L372 HydrophobicContact CD2-CD1 3.87Å; Y323-L372 HydrophobicContact CE1-CB 4.12Å; Y323-L372 HydrophobicContact CE2-CB 4.19Å; Y323-L372 HydrophobicContact CE2-CD1 3.48Å; Y323-L372 VanDerWaalsContact CE2-CD1 3.48Å; Y323-L372 HydrophobicContact CE2-CG 4.4Å; Y323-L372 CarbonylContact O-C 3.58Å; Y323-L372 WeakPolarHBondContact O-CA 3.39Å; Y323-T373 PolarHBondContact N-OG1 2.78Å; Y323-T373 PolarHBondContact O-N 3.33Å; Y323-T373 VanDerWaalsContact O-N 3.07Å; Y323-T373 PolarHBondContact O-OG1 3.2Å; Y323-E404 VanDerWaalsContact OH-CD 3.26Å; Y323-E404 WeakPolarHBondContact OH-CG 3.06Å
324	H	97.2	Very high	94.2	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.9	-179	-62.1	-170.9	0	0	0	111.3	R101 N238 E239 E284 I290 Y326 T373 E374	R101-H324 PolarHBondContact NH2-NE2 3Å; N238-H324 PolarHBondContact OD1-CE1 2.84Å; N238-H324 VanDerWaalsContact OD1-CE1 3.29Å; E239-H324 VanDerWaalsContact CG-CE1 3.41Å; E239-H324 WeakPolarHBondContact CG-CE1 3.37Å; E239-H324 WeakPolarHBondContact CG-ND1 3.49Å; E239-H324 IonicContact OE1-CE1 3.2Å; E239-H324 IonicContact OE1-CG 3.83Å; E239-H324 IonicContact OE1-ND1 2.8Å; E239-H324 PolarHBondContact OE1-ND1 2.55Å; E284-H324 IonicContact OE1-CE1 3.71Å; E284-H324 IonicContact OE1-NE2 3.19Å; I290-H324 VanDerWaalsContact CD1-O 3.28Å; I290-H324 WeakPolarHBondContact CD1-O 3.34Å; H324-Y326 HydrophobicContact CB-CE2 4.37Å; H324-T373 PolarHBondContact CD2-OG1 2.75Å; H324-T373 PolarHBondContact NE2-OG1 3.38Å; H324-E374 CarbonylContact C-O 3.58Å; H324-E374 WeakPolarHBondContact CA-O 3.46Å; H324-E374 HydrophobicContact CB-CB 4.02Å; H324-E374 WeakPolarHBondContact CD2-CB 3.39Å; H324-E374 VanDerWaalsContact CE1-CB 3.43Å; H324-E374 WeakPolarHBondContact CE1-CB 3.21Å; H324-E374 VanDerWaalsContact CE1-CD 3.48Å; H324-E374 IonicContact CE1-OE2 2.65Å; H324-E374 PolarHBondContact CE1-OE2 2.81Å; H324-E374 WeakPolarHBondContact ND1-CB 3.25Å; H324-E374 IonicContact ND1-OE1 3.38Å; H324-E374 IonicContact ND1-OE2 2.96Å; H324-E374 VanDerWaalsContact NE2-CB 3.32Å; H324-E374 WeakPolarHBondContact NE2-CB 3.45Å; H324-E374 IonicContact NE2-OE2 2.66Å
325	Y	96.8	Very high	93.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123	173.8	178	-89.5	0	0	0	111.8	Y291 L351 L352 A355 E374 F375 E391 V395	Y291-Y325 HydrophobicContact CE1-CD2 4.32Å; Y291-Y325 HydrophobicContact CE1-CE2 4.46Å; Y291-Y325 WeakPolarHBondContact OH-CD2 3.25Å; Y325-L351 HydrophobicContact CE2-CD2 4.34Å; Y325-L351 HydrophobicContact CE2-CG 4.11Å; Y325-L352 HydrophobicContact CD1-CD1 3.92Å; Y325-L352 HydrophobicContact CD2-CD1 4.05Å; Y325-L352 HydrophobicContact CE1-CD1 3.63Å; Y325-L352 HydrophobicContact CE2-CB 4.03Å; Y325-L352 HydrophobicContact CE2-CD1 3.75Å; Y325-L352 HydrophobicContact CG-CD1 4.13Å; Y325-L352 WeakPolarHBondContact OH-CB 3.17Å; Y325-A355 HydrophobicContact CD2-CB 4.09Å; Y325-A355 HydrophobicContact CE2-CB 4.42Å; Y325-E374 PolarHBondContact N-O 3Å; Y325-F375 WeakPolarHBondContact O-CA 3.33Å; Y325-F375 WeakPolarHBondContact O-CB 3.2Å; Y325-E391 VanDerWaalsContact CE1-OE1 3.31Å; Y325-E391 WeakPolarHBondContact CE1-OE1 3.33Å; Y325-V395 HydrophobicContact CD1-CG1 4.45Å; Y325-V395 HydrophobicContact CD1-CG2 3.67Å; Y325-V395 HydrophobicContact CE1-CG2 3.57Å
326	Y	93.9	Very high	93.6	Very high	38 Å²	38	41.4 Å²	41.4	15%	0.149	21%	0.214	C	C	.	.			trans	-140.4	129.5	171.2	-67.6	-77.4	0	0	0	108.6	H324 W328 E374 G376 L377	H324-Y326 HydrophobicContact CB-CE2 4.37Å; Y326-W328 PolarHBondContact O-N 3.04Å; Y326-E374 HydrophobicContact CE2-CG 4.41Å; Y326-E374 WeakPolarHBondContact CE2-OE1 3.38Å; Y326-E374 WeakPolarHBondContact OH-CG 3.38Å; Y326-E374 PolarHBondContact OH-OE1 3.34Å; Y326-G376 VanDerWaalsContact CE1-N 3.31Å; Y326-L377 HydrophobicContact CD1-CB 4.43Å; Y326-L377 HydrophobicContact CD1-CD1 3.77Å; Y326-L377 HydrophobicContact CD1-CG 3.87Å; Y326-L377 HydrophobicContact CE1-CD1 4.2Å; Y326-L377 HydrophobicContact CE1-CG 3.87Å
327	C	93.9	Very high	93.4	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.034	22%	0.22	C	C	.	.			trans	-78.7	101.3	169.6	-168.3	0	0	0	0	110	L329 L330 C347 L351	C327-L329 PolarHBondContact O-N 3.06Å; C327-L330 HydrophobicContact CB-CD1 3.75Å; C327-L330 HydrophobicContact CB-CG 3.92Å; C327-L330 WeakPolarHBondContact O-CB 3.49Å; C327-L330 PolarHBondContact O-N 2.66Å; C327-C347 HydrophobicContact CB-CB 3.79Å; C327-C347 WeakPolarHBondContact CB-SG 3.21Å; C327-C347 WeakPolarHBondContact SG-CB 3.35Å; C327-C347 CovalentContact SG-SG 2.04Å; C327-C347 PolarHBondContact SG-SG 3.32Å; C327-L351 HydrophobicContact CB-CD2 4.32Å
328	W	88.9	Confident	93.3	Very high	136 Å²	136	43.5 Å²	43.5	52%	0.515	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.6	-178.7	60.7	70.7	0	0	0	114.4	Y291 Y326 L330 L351	Y291-W328 HydrophobicContact CD1-CZ3 4.26Å; Y291-W328 HydrophobicContact CD2-CZ3 4.32Å; Y291-W328 HydrophobicContact CE1-CZ3 4.41Å; Y291-W328 HydrophobicContact CE2-CZ3 4.5Å; Y291-W328 HydrophobicContact CG-CZ3 4.21Å; Y326-W328 PolarHBondContact O-N 3.04Å; W328-L330 PolarHBondContact O-N 3.08Å; W328-L351 HydrophobicContact CD2-CD2 4.34Å; W328-L351 HydrophobicContact CE3-CD2 4.1Å; W328-L351 HydrophobicContact CH2-CD1 3.42Å; W328-L351 VanDerWaalsContact CH2-CD1 3.42Å; W328-L351 HydrophobicContact CH2-CD2 4.16Å; W328-L351 HydrophobicContact CH2-CG 4.45Å; W328-L351 HydrophobicContact CZ2-CD1 4.09Å; W328-L351 HydrophobicContact CZ2-CD2 4.37Å; W328-L351 HydrophobicContact CZ3-CD1 3.73Å; W328-L351 HydrophobicContact CZ3-CD2 4.01Å
329	L	90.9	Very high	93.1	Very high	45 Å²	45	42.4 Å²	42.4	24%	0.236	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.9	175.1	-61.9	176.1	0	0	0	113	C327 K343 L346	C327-L329 PolarHBondContact O-N 3.06Å; L329-K343 WeakPolarHBondContact O-CE 3.41Å; L329-K343 PolarHBondContact O-NZ 3.05Å; L329-L346 HydrophobicContact CD1-CB 3.58Å; L329-L346 HydrophobicContact CD1-CD1 3.62Å; L329-L346 HydrophobicContact CD1-CG 4.26Å
330	L	90.8	Very high	92.9	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-22.8	-177.1	-54.6	178.8	0	0	0	112.4	C327 W328 S332 T333 M339 K343 I387 E391	C327-L330 HydrophobicContact CB-CD1 3.75Å; C327-L330 HydrophobicContact CB-CG 3.92Å; C327-L330 WeakPolarHBondContact O-CB 3.49Å; C327-L330 PolarHBondContact O-N 2.66Å; W328-L330 PolarHBondContact O-N 3.08Å; L330-S332 PolarHBondContact O-N 3.32Å; L330-S332 VanDerWaalsContact O-N 3.09Å; L330-T333 PolarHBondContact O-N 2.94Å; L330-T333 VanDerWaalsContact O-O 3.1Å; L330-M339 HydrophobicContact CD1-CE 3.97Å; L330-M339 HydrophobicContact CD2-CE 3.85Å; L330-M339 HydrophobicContact CG-CE 4.49Å; L330-K343 HydrophobicContact CD2-CB 4.42Å; L330-K343 HydrophobicContact CD2-CD 4.1Å; L330-I387 HydrophobicContact CB-CG2 4.25Å; L330-I387 HydrophobicContact CD1-CG2 3.99Å; L330-I387 HydrophobicContact CD2-CD1 4.36Å; L330-I387 HydrophobicContact CD2-CG1 4.38Å; L330-I387 HydrophobicContact CD2-CG2 4.11Å; L330-I387 HydrophobicContact CG-CG2 4.33Å; L330-E391 HydrophobicContact CD1-CB 4.04Å; L330-E391 VanDerWaalsContact CD1-CD 3.44Å; L330-E391 HydrophobicContact CD1-CG 3.78Å; L330-E391 WeakPolarHBondContact CD1-OE2 3.49Å
331	E	85.5	Confident	92.7	Very high	104 Å²	104	48.9 Å²	48.9	49%	0.486	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.9	-177.5	-70.3	177.1	-151.6	0	0	113.7	L377	E331-L377 HydrophobicContact CG-CD1 3.84Å
332	S	83.4	Confident	92.5	Very high	103 Å²	103	56 Å²	56	72%	0.72	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	6.8	-179.2	80.9	0	0	0	0	114	L330	L330-S332 PolarHBondContact O-N 3.32Å; L330-S332 VanDerWaalsContact O-N 3.09Å
333	T	86.4	Confident	92.3	Very high	28 Å²	28	56.8 Å²	56.8	17%	0.172	30%	0.298	C	S	.	.	S	Bend	trans	-128.1	132.5	-176.7	-59.8	0	0	0	0	109.9	L330 A335 E337 K343 I387	L330-T333 PolarHBondContact O-N 2.94Å; L330-T333 VanDerWaalsContact O-O 3.1Å; T333-A335 PolarHBondContact O-N 3.21Å; T333-E337 HydrophobicContact CG2-CB 4.27Å; T333-K343 PolarHBondContact OG1-NZ 2.8Å; T333-I387 HydrophobicContact CG2-CD1 3.47Å; T333-I387 VanDerWaalsContact CG2-CD1 3.47Å
334	P	89.2	Confident	92.2	Very high	70 Å²	70	62.5 Å²	62.5	46%	0.455	32%	0.32	S	S	.	.			trans	-54.3	127.7	175.2	-24.5	33.9	0	0	0	111.1	T336 E337	P334-T336 PolarHBondContact O-N 2.99Å; P334-T336 VanDerWaalsContact O-N 3.1Å; P334-E337 HydrophobicContact CB-CG 4.18Å; P334-E337 WeakPolarHBondContact CD-OE1 3.41Å; P334-E337 HydrophobicContact CG-CG 4.49Å; P334-E337 WeakPolarHBondContact CG-OE1 3.44Å; P334-E337 WeakPolarHBondContact O-CB 3.43Å; P334-E337 PolarHBondContact O-N 3.44Å
335	A	89.7	Confident	92.1	Very high	29 Å²	29	67.1 Å²	67.1	24%	0.24	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.8	-172.2	0	0	0	0	0	113.9	T333 E337 I387 N388	T333-A335 PolarHBondContact O-N 3.21Å; A335-E337 VanDerWaalsContact C-N 3.31Å; A335-I387 HydrophobicContact CB-CG2 4.34Å; A335-I387 WeakPolarHBondContact O-CB 3.25Å; A335-I387 PolarHBondContact O-N 3.4Å; A335-N388 WeakPolarHBondContact CB-OD1 3.36Å; A335-N388 WeakPolarHBondContact O-CB 2.88Å; A335-N388 PolarHBondContact O-N 2.87Å; A335-N388 PolarHBondContact O-ND2 3.4Å
336	T	91.7	Very high	92.1	Very high	90 Å²	90	70 Å²	70	55%	0.552	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.6	174.6	53.6	0	0	0	0	113.4	P334	P334-T336 PolarHBondContact O-N 2.99Å; P334-T336 VanDerWaalsContact O-N 3.1Å
337	E	94	Very high	92.2	Very high	99 Å²	99	68.2 Å²	68.2	46%	0.463	35%	0.35	S	S	.	.	S	Bend	trans	-74.1	155.1	177.7	-71.3	-177.6	-160.3	0	0	112	T333 P334 A335 M339 S386 I387	T333-E337 HydrophobicContact CG2-CB 4.27Å; P334-E337 HydrophobicContact CB-CG 4.18Å; P334-E337 WeakPolarHBondContact CD-OE1 3.41Å; P334-E337 HydrophobicContact CG-CG 4.49Å; P334-E337 WeakPolarHBondContact CG-OE1 3.44Å; P334-E337 WeakPolarHBondContact O-CB 3.43Å; P334-E337 PolarHBondContact O-N 3.44Å; A335-E337 VanDerWaalsContact C-N 3.31Å; E337-M339 PolarHBondContact O-N 3.34Å; E337-S386 CarbonylContact O-C 3.42Å; E337-S386 WeakPolarHBondContact O-CA 3.25Å; E337-I387 PolarHBondContact O-N 3.23Å
338	H	95.4	Very high	92.3	Very high	110 Å²	110	68.6 Å²	68.6	51%	0.509	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-59.9	128	174.4	170.2	-73	0	0	0	110.8	P340 D385	H338-P340 WeakPolarHBondContact O-CD 3.21Å; H338-D385 CarbonylContact C-O 3.43Å; H338-D385 WeakPolarHBondContact CA-O 3.45Å
339	M	94.5	Very high	92.5	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.03	35%	0.35	C	S	.	.			trans	-70.6	112	178.2	-167.1	-175.6	-157.2	0	0	110.9	L330 E337 S341 R344 C347 D385 I387 V390	L330-M339 HydrophobicContact CD1-CE 3.97Å; L330-M339 HydrophobicContact CD2-CE 3.85Å; L330-M339 HydrophobicContact CG-CE 4.49Å; E337-M339 PolarHBondContact O-N 3.34Å; M339-S341 PolarHBondContact O-N 2.95Å; M339-R344 HydrophobicContact CE-CB 4.16Å; M339-R344 HydrophobicContact CE-CG 4.49Å; M339-R344 HydrophobicContact CG-CB 4.08Å; M339-R344 HydrophobicContact SD-CB 3.61Å; M339-R344 HydrophobicContact SD-CG 3.79Å; M339-C347 HydrophobicContact CE-CB 3.98Å; M339-D385 PolarHBondContact N-O 3.23Å; M339-I387 HydrophobicContact CB-CG1 3.75Å; M339-I387 HydrophobicContact CG-CG1 3.98Å; M339-V390 HydrophobicContact CB-CB 4.36Å; M339-V390 HydrophobicContact CB-CG2 4.39Å; M339-V390 HydrophobicContact SD-CB 3.72Å; M339-V390 HydrophobicContact SD-CG1 3.26Å; M339-V390 WeakPolarHBondContact SD-CG1 3.48Å
340	P	93.6	Very high	92.7	Very high	40 Å²	40	69.4 Å²	69.4	26%	0.26	36%	0.362	S	S	.	.			trans	-60.6	138.9	179.3	-21.8	34.4	0	0	0	111.2	H338 W342 K343 R344	H338-P340 WeakPolarHBondContact O-CD 3.21Å; P340-W342 PolarHBondContact O-N 3.29Å; P340-K343 HydrophobicContact CB-CG 4.4Å; P340-K343 HydrophobicContact CG-CD 4.32Å; P340-K343 HydrophobicContact CG-CG 4.34Å; P340-K343 PolarHBondContact O-N 3.26Å; P340-R344 PolarHBondContact O-N 3.44Å
341	S	94.6	Very high	93	Very high	97 Å²	97	69.8 Å²	69.8	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-55.2	-33.1	-175.1	-49.1	0	0	0	0	113.8	M339 H345	M339-S341 PolarHBondContact O-N 2.95Å; S341-H345 WeakPolarHBondContact O-CB 3.31Å; S341-H345 PolarHBondContact O-N 3.33Å
342	W	95.1	Very high	93.5	Very high	150 Å²	150	64.9 Å²	64.9	57%	0.568	34%	0.341	S	S	*	.	H	α-helix	trans	-71.1	-40.4	176.6	72.3	-93.8	0	0	0	112.3	P340 H345 L346	P340-W342 PolarHBondContact O-N 3.29Å; W342-H345 PolarHBondContact O-N 3.45Å; W342-L346 HydrophobicContact CE3-CD1 3.69Å; W342-L346 HydrophobicContact CZ3-CD1 3.79Å; W342-L346 WeakPolarHBondContact O-CG 3.24Å; W342-L346 PolarHBondContact O-N 3.12Å
343	K	94.6	Very high	94.1	Very high	18 Å²	18	62.5 Å²	62.5	8%	0.078	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-45.5	173.9	-71.4	-162.3	179.5	-166.5	0	110.3	L329 L330 T333 P340 H345 L346 C347	L329-K343 WeakPolarHBondContact O-CE 3.41Å; L329-K343 PolarHBondContact O-NZ 3.05Å; L330-K343 HydrophobicContact CD2-CB 4.42Å; L330-K343 HydrophobicContact CD2-CD 4.1Å; T333-K343 PolarHBondContact OG1-NZ 2.8Å; P340-K343 HydrophobicContact CB-CG 4.4Å; P340-K343 HydrophobicContact CG-CD 4.32Å; P340-K343 HydrophobicContact CG-CG 4.34Å; P340-K343 PolarHBondContact O-N 3.26Å; K343-H345 VanDerWaalsContact C-N 3.31Å; K343-H345 PolarHBondContact O-N 3.25Å; K343-L346 PolarHBondContact O-N 2.89Å; K343-L346 VanDerWaalsContact O-N 3.14Å; K343-C347 PolarHBondContact O-N 2.96Å; K343-C347 PolarHBondContact O-SG 3.29Å; K343-C347 VanDerWaalsContact O-SG 3.4Å
344	R	95.3	Very high	94.6	Very high	123 Å²	123	65 Å²	65	46%	0.464	33%	0.327	S	S	.	.	H	α-helix	trans	-54.8	-46.1	174.8	-172.2	178	177.4	175.3	-1.5	112.2	M339 P340 D348 V390	M339-R344 HydrophobicContact CE-CB 4.16Å; M339-R344 HydrophobicContact CE-CG 4.49Å; M339-R344 HydrophobicContact CG-CB 4.08Å; M339-R344 HydrophobicContact SD-CB 3.61Å; M339-R344 HydrophobicContact SD-CG 3.79Å; P340-R344 PolarHBondContact O-N 3.44Å; R344-D348 WeakPolarHBondContact CG-OD2 2.92Å; R344-D348 IonicContact NE-OD2 3.62Å; R344-D348 PolarHBondContact NE-OD2 3.24Å; R344-D348 WeakPolarHBondContact O-CB 3.49Å; R344-D348 VanDerWaalsContact O-CG 3.24Å; R344-D348 PolarHBondContact O-N 3.41Å; R344-V390 HydrophobicContact CG-CG1 4.12Å
345	H	95.8	Very high	95	Very high	102 Å²	102	61.7 Å²	61.7	47%	0.472	31%	0.305	S	S	.	.	I	π-helix	trans	-62.3	-45.4	176.9	-174.8	78.7	0	0	0	112.1	S341 W342 K343 Q349 L350	S341-H345 WeakPolarHBondContact O-CB 3.31Å; S341-H345 PolarHBondContact O-N 3.33Å; W342-H345 PolarHBondContact O-N 3.45Å; K343-H345 VanDerWaalsContact C-N 3.31Å; K343-H345 PolarHBondContact O-N 3.25Å; H345-Q349 WeakPolarHBondContact O-CA 3.36Å; H345-Q349 VanDerWaalsContact O-CB 3.29Å; H345-Q349 WeakPolarHBondContact O-CB 3.37Å; H345-Q349 PolarHBondContact O-N 2.87Å; H345-L350 PolarHBondContact O-N 3.22Å
346	L	96.3	Very high	95.3	Very high	64 Å²	64	60.3 Å²	60.3	34%	0.335	29%	0.294	S	S	.	.	I	π-helix	trans	-66.6	-43.5	-179.9	-66	-179.5	0	0	0	112.7	L329 W342 K343 L350 L351	L329-L346 HydrophobicContact CD1-CB 3.58Å; L329-L346 HydrophobicContact CD1-CD1 3.62Å; L329-L346 HydrophobicContact CD1-CG 4.26Å; W342-L346 HydrophobicContact CE3-CD1 3.69Å; W342-L346 HydrophobicContact CZ3-CD1 3.79Å; W342-L346 WeakPolarHBondContact O-CG 3.24Å; W342-L346 PolarHBondContact O-N 3.12Å; K343-L346 PolarHBondContact O-N 2.89Å; K343-L346 VanDerWaalsContact O-N 3.14Å; L346-L350 HydrophobicContact CD2-CD1 3.62Å; L346-L350 WeakPolarHBondContact O-CB 3.43Å; L346-L351 WeakPolarHBondContact O-CB 3.42Å; L346-L351 PolarHBondContact O-N 3.18Å
347	C	96.1	Very high	95.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-69.7	-60.9	177.4	-61.6	0	0	0	0	110.7	C327 M339 K343 L351 L352	C327-C347 HydrophobicContact CB-CB 3.79Å; C327-C347 WeakPolarHBondContact CB-SG 3.21Å; C327-C347 WeakPolarHBondContact SG-CB 3.35Å; C327-C347 CovalentContact SG-SG 2.04Å; C327-C347 PolarHBondContact SG-SG 3.32Å; M339-C347 HydrophobicContact CE-CB 3.98Å; K343-C347 PolarHBondContact O-N 2.96Å; K343-C347 PolarHBondContact O-SG 3.29Å; K343-C347 VanDerWaalsContact O-SG 3.4Å; C347-L351 PolarHBondContact O-N 2.83Å; C347-L352 WeakPolarHBondContact O-CB 3.45Å; C347-L352 PolarHBondContact O-N 2.95Å
348	D	95.4	Very high	95.7	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.064	28%	0.279	C	S	.	.	I	π-helix	trans	-73.1	-46.2	-168.8	-56.1	5.2	0	0	0	112.8	R344 N353 A394	R344-D348 WeakPolarHBondContact CG-OD2 2.92Å; R344-D348 IonicContact NE-OD2 3.62Å; R344-D348 PolarHBondContact NE-OD2 3.24Å; R344-D348 WeakPolarHBondContact O-CB 3.49Å; R344-D348 VanDerWaalsContact O-CG 3.24Å; R344-D348 PolarHBondContact O-N 3.41Å; D348-N353 PolarHBondContact O-ND2 2.65Å; D348-A394 HydrophobicContact CB-CB 4.4Å
349	Q	94.1	Very high	95.8	Very high	106 Å²	106	53.5 Å²	53.5	50%	0.495	25%	0.254	S	S	.	.	I	π-helix	trans	-90.1	-31.6	-168	-58.1	-57.4	-47.4	0	0	112.3	H345 N353	H345-Q349 WeakPolarHBondContact O-CA 3.36Å; H345-Q349 VanDerWaalsContact O-CB 3.29Å; H345-Q349 WeakPolarHBondContact O-CB 3.37Å; H345-Q349 PolarHBondContact O-N 2.87Å; Q349-N353 PolarHBondContact O-ND2 3.24Å
350	L	95.5	Very high	95.8	Very high	93 Å²	93	57.5 Å²	57.5	49%	0.487	27%	0.269	S	S	.	.	I	π-helix	trans	-102	-69.6	-179.2	-57.7	-179.2	0	0	0	111.7	H345 L346 Y354	H345-L350 PolarHBondContact O-N 3.22Å; L346-L350 HydrophobicContact CD2-CD1 3.62Å; L346-L350 WeakPolarHBondContact O-CB 3.43Å; L350-Y354 WeakPolarHBondContact O-CB 3.5Å; L350-Y354 PolarHBondContact O-N 3.32Å
351	L	95.9	Very high	96	Very high	22 Å²	22	57.3 Å²	57.3	12%	0.115	27%	0.269	C	S	.	.	I	π-helix	trans	-64.6	-52	-168.3	-173.6	64.8	0	0	0	112.5	Y291 Y325 C327 W328 L346 C347 Y354 A355	Y291-L351 HydrophobicContact CD1-CD1 3.45Å; Y291-L351 VanDerWaalsContact CD1-CD1 3.45Å; Y291-L351 HydrophobicContact CD1-CG 4.32Å; Y291-L351 HydrophobicContact CE1-CD1 3.57Å; Y291-L351 HydrophobicContact CE1-CD2 4.47Å; Y291-L351 HydrophobicContact CE1-CG 3.94Å; Y291-L351 HydrophobicContact CG-CD1 4.47Å; Y325-L351 HydrophobicContact CE2-CD2 4.34Å; Y325-L351 HydrophobicContact CE2-CG 4.11Å; C327-L351 HydrophobicContact CB-CD2 4.32Å; W328-L351 HydrophobicContact CD2-CD2 4.34Å; W328-L351 HydrophobicContact CE3-CD2 4.1Å; W328-L351 HydrophobicContact CH2-CD1 3.42Å; W328-L351 VanDerWaalsContact CH2-CD1 3.42Å; W328-L351 HydrophobicContact CH2-CD2 4.16Å; W328-L351 HydrophobicContact CH2-CG 4.45Å; W328-L351 HydrophobicContact CZ2-CD1 4.09Å; W328-L351 HydrophobicContact CZ2-CD2 4.37Å; W328-L351 HydrophobicContact CZ3-CD1 3.73Å; W328-L351 HydrophobicContact CZ3-CD2 4.01Å; L346-L351 WeakPolarHBondContact O-CB 3.42Å; L346-L351 PolarHBondContact O-N 3.18Å; C347-L351 PolarHBondContact O-N 2.83Å; L351-Y354 PolarHBondContact O-N 3.17Å; L351-A355 WeakPolarHBondContact O-CB 3.28Å; L351-A355 PolarHBondContact O-N 2.75Å
352	L	96.8	Very high	96	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	24%	0.237	C	C	.	.	I	π-helix	trans	-60.8	-53.5	-179.4	-177.7	64	0	0	0	111.8	Y325 C347 Y354 A355 F356 A394 V395 A398	Y325-L352 HydrophobicContact CD1-CD1 3.92Å; Y325-L352 HydrophobicContact CD2-CD1 4.05Å; Y325-L352 HydrophobicContact CE1-CD1 3.63Å; Y325-L352 HydrophobicContact CE2-CB 4.03Å; Y325-L352 HydrophobicContact CE2-CD1 3.75Å; Y325-L352 HydrophobicContact CG-CD1 4.13Å; Y325-L352 WeakPolarHBondContact OH-CB 3.17Å; C347-L352 WeakPolarHBondContact O-CB 3.45Å; C347-L352 PolarHBondContact O-N 2.95Å; L352-Y354 VanDerWaalsContact C-N 3.26Å; L352-Y354 PolarHBondContact O-N 3.12Å; L352-A355 PolarHBondContact O-N 3.38Å; L352-F356 HydrophobicContact CD1-CD2 3.73Å; L352-F356 HydrophobicContact CD1-CE2 3.43Å; L352-F356 VanDerWaalsContact CD1-CE2 3.43Å; L352-F356 HydrophobicContact CG-CD2 4.28Å; L352-F356 HydrophobicContact CG-CE2 4.34Å; L352-F356 WeakPolarHBondContact O-CD2 3.32Å; L352-F356 PolarHBondContact O-N 2.91Å; L352-A394 HydrophobicContact CD2-CB 4.04Å; L352-A394 WeakPolarHBondContact CD2-O 3.21Å; L352-V395 HydrophobicContact CD1-CG2 4.17Å; L352-A398 HydrophobicContact CD1-CB 4.07Å; L352-A398 HydrophobicContact CD2-CB 3.65Å; L352-A398 HydrophobicContact CG-CB 3.79Å
353	N	96.2	Very high	96.1	Very high	52 Å²	52	46.2 Å²	46.2	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-37.2	179.1	-74	-30.8	0	0	0	111.8	D348 Q349 K357 R401	D348-N353 PolarHBondContact O-ND2 2.65Å; Q349-N353 PolarHBondContact O-ND2 3.24Å; N353-K357 WeakPolarHBondContact O-CB 3.1Å; N353-K357 PolarHBondContact O-N 2.66Å; N353-K357 VanDerWaalsContact O-N 3.09Å; N353-R401 PolarHBondContact OD1-NH2 3.4Å
354	Y	96.5	Very high	96.1	Very high	81 Å²	81	52.3 Å²	52.3	32%	0.318	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-50.5	174.8	179	-89	0	0	0	111.3	Y291 F292 P293 L350 L351 L352 F356 K357 N358	Y291-Y354 WeakPolarHBondContact O-CE1 3.36Å; Y291-Y354 PolarHBondContact O-OH 3.33Å; F292-Y354 PolarHBondContact O-OH 2.79Å; P293-Y354 WeakPolarHBondContact CA-OH 3.45Å; P293-Y354 VanDerWaalsContact N-OH 3.14Å; L350-Y354 WeakPolarHBondContact O-CB 3.5Å; L350-Y354 PolarHBondContact O-N 3.32Å; L351-Y354 PolarHBondContact O-N 3.17Å; L352-Y354 VanDerWaalsContact C-N 3.26Å; L352-Y354 PolarHBondContact O-N 3.12Å; Y354-F356 PolarHBondContact O-N 3Å; Y354-K357 PolarHBondContact O-N 2.65Å; Y354-N358 HydrophobicContact CD1-CB 4.44Å; Y354-N358 HydrophobicContact CE1-CB 4.08Å; Y354-N358 VanDerWaalsContact O-CB 3.23Å; Y354-N358 WeakPolarHBondContact O-CB 3.36Å; Y354-N358 PolarHBondContact O-N 2.86Å
355	A	96.9	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56	-51.8	-179.5	0	0	0	0	0	111.6	I290 Y291 Y325 L351 L352 K357 N358 V359	I290-A355 HydrophobicContact CD1-CB 4.47Å; Y291-A355 HydrophobicContact CD1-CB 4.29Å; Y291-A355 HydrophobicContact CE1-CB 3.84Å; Y325-A355 HydrophobicContact CD2-CB 4.09Å; Y325-A355 HydrophobicContact CE2-CB 4.42Å; L351-A355 WeakPolarHBondContact O-CB 3.28Å; L351-A355 PolarHBondContact O-N 2.75Å; L352-A355 PolarHBondContact O-N 3.38Å; A355-K357 PolarHBondContact O-N 3.48Å; A355-N358 PolarHBondContact O-N 3.46Å; A355-V359 WeakPolarHBondContact O-CB 3.06Å; A355-V359 WeakPolarHBondContact O-CG2 3.37Å; A355-V359 PolarHBondContact O-N 3.22Å
356	F	97.5	Very high	96	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-42.7	178.8	-86.8	-97.1	0	0	0	113	Y323 L352 Y354 N358 R360 L372 A398 A399 N402 E404	Y323-F356 WeakPolarHBondContact OH-CE1 3.49Å; L352-F356 HydrophobicContact CD1-CD2 3.73Å; L352-F356 HydrophobicContact CD1-CE2 3.43Å; L352-F356 VanDerWaalsContact CD1-CE2 3.43Å; L352-F356 HydrophobicContact CG-CD2 4.28Å; L352-F356 HydrophobicContact CG-CE2 4.34Å; L352-F356 WeakPolarHBondContact O-CD2 3.32Å; L352-F356 PolarHBondContact O-N 2.91Å; Y354-F356 PolarHBondContact O-N 3Å; F356-N358 VanDerWaalsContact C-N 3.34Å; F356-R360 PolarHBondContact O-N 2.98Å; F356-R360 VanDerWaalsContact O-N 3.15Å; F356-L372 HydrophobicContact CZ-CD2 4.09Å; F356-A398 HydrophobicContact CD2-CB 4.2Å; F356-A398 HydrophobicContact CE2-CB 3.97Å; F356-A398 HydrophobicContact CZ-CB 4.15Å; F356-A399 HydrophobicContact CE1-CB 4.36Å; F356-A399 HydrophobicContact CZ-CB 4.29Å; F356-N402 HydrophobicContact CD1-CB 3.57Å; F356-N402 VanDerWaalsContact CD1-ND2 3.35Å; F356-N402 WeakPolarHBondContact CD1-ND2 3.33Å; F356-N402 HydrophobicContact CE1-CB 4.09Å; F356-E404 HydrophobicContact CD1-CB 4.4Å; F356-E404 HydrophobicContact CD1-CG 4.46Å; F356-E404 HydrophobicContact CE1-CB 3.68Å; F356-E404 HydrophobicContact CE1-CG 3.73Å
357	K	96.7	Very high	96	Very high	144 Å²	144	41.6 Å²	41.6	63%	0.626	20%	0.204	S	C	*	.	H	α-helix	trans	-64.6	-40.9	176.5	-178	-178.4	177.3	-176.3	0	111.4	N353 Y354 A355 S361	N353-K357 WeakPolarHBondContact O-CB 3.1Å; N353-K357 PolarHBondContact O-N 2.66Å; N353-K357 VanDerWaalsContact O-N 3.09Å; Y354-K357 PolarHBondContact O-N 2.65Å; A355-K357 PolarHBondContact O-N 3.48Å; K357-S361 PolarHBondContact O-N 2.88Å; K357-S361 PolarHBondContact O-OG 3.46Å
358	N	96.8	Very high	96.1	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-71.1	-45.4	-177.2	-159.7	39.8	0	0	0	110.9	I290 F292 Y354 A355 F356 R360 S361 I362	I290-N358 PolarHBondContact O-ND2 3.25Å; F292-N358 PolarHBondContact O-ND2 3.34Å; Y354-N358 HydrophobicContact CD1-CB 4.44Å; Y354-N358 HydrophobicContact CE1-CB 4.08Å; Y354-N358 VanDerWaalsContact O-CB 3.23Å; Y354-N358 WeakPolarHBondContact O-CB 3.36Å; Y354-N358 PolarHBondContact O-N 2.86Å; A355-N358 PolarHBondContact O-N 3.46Å; F356-N358 VanDerWaalsContact C-N 3.34Å; N358-R360 VanDerWaalsContact C-N 3.3Å; N358-R360 PolarHBondContact O-N 3.21Å; N358-S361 CarbonylContact O-C 3.3Å; N358-S361 WeakPolarHBondContact O-CA 3.38Å; N358-S361 WeakPolarHBondContact O-CB 3.38Å; N358-S361 PolarHBondContact O-N 2.85Å; N358-I362 WeakPolarHBondContact O-CD1 3.19Å; N358-I362 WeakPolarHBondContact O-CG1 3.46Å; N358-I362 PolarHBondContact O-N 3.33Å
359	V	97.2	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.2	-46	172.7	168.4	0	0	0	0	111.3	I290 L321 Y323 A355 S361 I362 V363 R370	I290-V359 HydrophobicContact CB-CG2 4.01Å; I290-V359 HydrophobicContact CD1-CG2 4.45Å; I290-V359 HydrophobicContact CG2-CG2 3.92Å; L321-V359 HydrophobicContact CD2-CG1 4.21Å; Y323-V359 HydrophobicContact CD1-CG1 3.83Å; Y323-V359 HydrophobicContact CD1-CG2 4.06Å; Y323-V359 HydrophobicContact CD2-CG2 3.88Å; Y323-V359 HydrophobicContact CE1-CB 4.38Å; Y323-V359 HydrophobicContact CE1-CG1 3.6Å; Y323-V359 HydrophobicContact CE1-CG2 4.18Å; Y323-V359 HydrophobicContact CE2-CG2 3.98Å; Y323-V359 HydrophobicContact CG-CG2 3.9Å; A355-V359 WeakPolarHBondContact O-CB 3.06Å; A355-V359 WeakPolarHBondContact O-CG2 3.37Å; A355-V359 PolarHBondContact O-N 3.22Å; V359-S361 VanDerWaalsContact C-N 3.32Å; V359-S361 PolarHBondContact O-N 3.27Å; V359-I362 WeakPolarHBondContact O-CB 3.41Å; V359-I362 PolarHBondContact O-N 3.02Å; V359-V363 PolarHBondContact O-N 3.35Å; V359-R370 HydrophobicContact CG1-CB 3.79Å; V359-R370 HydrophobicContact CG1-CG 4.43Å
360	R	95.8	Very high	96.4	Very high	90 Å²	90	37.2 Å²	37.2	34%	0.34	18%	0.183	S	C	.	.	H	α-helix	trans	-58.9	-44.6	174.7	-176.7	-175.7	-65.6	155.8	2	111.8	F356 N358 I362 V363 Q364 N402	F356-R360 PolarHBondContact O-N 2.98Å; F356-R360 VanDerWaalsContact O-N 3.15Å; N358-R360 VanDerWaalsContact C-N 3.3Å; N358-R360 PolarHBondContact O-N 3.21Å; R360-I362 VanDerWaalsContact C-N 3.34Å; R360-V363 PolarHBondContact O-N 3.36Å; R360-Q364 WeakPolarHBondContact O-CB 3.43Å; R360-Q364 VanDerWaalsContact O-CG 3.25Å; R360-Q364 WeakPolarHBondContact O-CG 3.38Å; R360-Q364 PolarHBondContact O-N 2.98Å; R360-N402 PolarHBondContact NH2-OD1 3Å
361	S	96.2	Very high	96.5	Very high	36 Å²	36	32.8 Å²	32.8	25%	0.252	16%	0.16	S	C	.	.	H	α-helix	trans	-65.8	-37.5	179.8	-53.7	0	0	0	0	111.7	F294 K357 N358 V359 S365	F294-S361 WeakPolarHBondContact CZ-O 3.19Å; K357-S361 PolarHBondContact O-N 2.88Å; K357-S361 PolarHBondContact O-OG 3.46Å; N358-S361 CarbonylContact O-C 3.3Å; N358-S361 WeakPolarHBondContact O-CA 3.38Å; N358-S361 WeakPolarHBondContact O-CB 3.38Å; N358-S361 PolarHBondContact O-N 2.85Å; V359-S361 VanDerWaalsContact C-N 3.32Å; V359-S361 PolarHBondContact O-N 3.27Å; S361-S365 PolarHBondContact O-N 3.07Å; S361-S365 VanDerWaalsContact O-N 3.14Å
362	I	95.8	Very high	96.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-53.8	174.6	-66.3	157.1	0	0	0	109.5	F294 P299 T301 L321 N358 V359 R360 Q364 S365 T366	F294-I362 HydrophobicContact CE2-CG1 3.99Å; F294-I362 HydrophobicContact CZ-CG1 4.14Å; P299-I362 HydrophobicContact CB-CG1 4.15Å; P299-I362 HydrophobicContact CB-CG2 4.24Å; T301-I362 HydrophobicContact CG2-CD1 3.68Å; T301-I362 HydrophobicContact CG2-CG1 4.35Å; T301-I362 HydrophobicContact CG2-CG2 4.19Å; L321-I362 HydrophobicContact CD2-CB 4.21Å; L321-I362 HydrophobicContact CD2-CG2 3.71Å; N358-I362 WeakPolarHBondContact O-CD1 3.19Å; N358-I362 WeakPolarHBondContact O-CG1 3.46Å; N358-I362 PolarHBondContact O-N 3.33Å; V359-I362 WeakPolarHBondContact O-CB 3.41Å; V359-I362 PolarHBondContact O-N 3.02Å; R360-I362 VanDerWaalsContact C-N 3.34Å; I362-Q364 VanDerWaalsContact C-N 3.33Å; I362-Q364 PolarHBondContact O-N 2.69Å; I362-S365 WeakPolarHBondContact O-CA 3.39Å; I362-S365 VanDerWaalsContact O-CB 3.31Å; I362-S365 WeakPolarHBondContact O-CB 3.46Å; I362-S365 PolarHBondContact O-N 3.04Å; I362-T366 HydrophobicContact CG2-CG2 4.33Å; I362-T366 PolarHBondContact O-N 3.09Å; I362-T366 PolarHBondContact O-OG1 2.89Å
363	V	96	Very high	96.8	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-35.8	-178.8	172.4	0	0	0	0	112.5	L321 V359 R360 S365 T366 G367 G368 G369 R370	L321-V363 HydrophobicContact CB-CG2 3.95Å; L321-V363 HydrophobicContact CD2-CG2 4.02Å; V359-V363 PolarHBondContact O-N 3.35Å; R360-V363 PolarHBondContact O-N 3.36Å; V363-S365 PolarHBondContact O-N 3.01Å; V363-T366 PolarHBondContact O-N 3.18Å; V363-G367 CarbonylContact O-C 3.59Å; V363-G367 VanDerWaalsContact O-CA 3.23Å; V363-G367 WeakPolarHBondContact O-CA 3.33Å; V363-G367 PolarHBondContact O-N 3.18Å; V363-G368 WeakPolarHBondContact CG1-O 3.32Å; V363-G369 WeakPolarHBondContact CG2-O 3.19Å; V363-R370 HydrophobicContact CG2-CB 4.03Å
364	Q	94.7	Very high	96.8	Very high	147 Å²	147	29.7 Å²	29.7	69%	0.687	14%	0.143	S	C	*	.	H	α-helix	trans	-60.7	-30	171.1	-75.9	173.4	-18.7	0	0	112.9	R360 I362	R360-Q364 WeakPolarHBondContact O-CB 3.43Å; R360-Q364 VanDerWaalsContact O-CG 3.25Å; R360-Q364 WeakPolarHBondContact O-CG 3.38Å; R360-Q364 PolarHBondContact O-N 2.98Å; I362-Q364 VanDerWaalsContact C-N 3.33Å; I362-Q364 PolarHBondContact O-N 2.69Å
365	S	94.6	Very high	96.8	Very high	52 Å²	52	25.9 Å²	25.9	36%	0.364	13%	0.128	S	C	.	.	H	α-helix	trans	-83	-44.6	178.4	-174.8	0	0	0	0	112.3	S361 I362 V363	S361-S365 PolarHBondContact O-N 3.07Å; S361-S365 VanDerWaalsContact O-N 3.14Å; I362-S365 WeakPolarHBondContact O-CA 3.39Å; I362-S365 VanDerWaalsContact O-CB 3.31Å; I362-S365 WeakPolarHBondContact O-CB 3.46Å; I362-S365 PolarHBondContact O-N 3.04Å; V363-S365 PolarHBondContact O-N 3.01Å
366	T	95.1	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-86.1	-24.7	-174.3	58.1	0	0	0	0	113.8	P299 M303 R316 I362 V363	P299-T366 HydrophobicContact CG-CG2 4.26Å; M303-T366 VanDerWaalsContact O-CG2 3.23Å; M303-T366 WeakPolarHBondContact O-CG2 3.44Å; R316-T366 PolarHBondContact NE-O 3.27Å; R316-T366 VanDerWaalsContact NE-O 3.07Å; I362-T366 HydrophobicContact CG2-CG2 4.33Å; I362-T366 PolarHBondContact O-N 3.09Å; I362-T366 PolarHBondContact O-OG1 2.89Å; V363-T366 PolarHBondContact O-N 3.18Å
367	G	96	Very high	95.9	Very high	11 Å²	11	31 Å²	31	11%	0.113	16%	0.156	C	C	.	.			trans	76.6	177	-157.1	0	0	0	0	0	111.4	V306 V363	V306-G367 VanDerWaalsContact CG1-O 3.25Å; V306-G367 WeakPolarHBondContact CG1-O 3.5Å; V363-G367 CarbonylContact O-C 3.59Å; V363-G367 VanDerWaalsContact O-CA 3.23Å; V363-G367 WeakPolarHBondContact O-CA 3.33Å; V363-G367 PolarHBondContact O-N 3.18Å
368	G	97.8	Very high	95.5	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	100.2	-177.3	-177.6	0	0	0	0	0	114	G54 R316 S319 V363	G54-G368 VanDerWaalsContact CA-O 3.23Å; G54-G368 WeakPolarHBondContact CA-O 3.14Å; R316-G368 VanDerWaalsContact O-CA 3.29Å; R316-G368 WeakPolarHBondContact O-CA 3.4Å; S319-G368 CarbonylContact O-C 3.55Å; S319-G368 VanDerWaalsContact O-CA 3.23Å; S319-G368 WeakPolarHBondContact O-CA 3.49Å; V363-G368 WeakPolarHBondContact CG1-O 3.32Å
369	G	98.3	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-179.6	171.3	0	0	0	0	0	111.6	G54 S319 V320 L321 V363	G54-G369 WeakPolarHBondContact O-CA 3.25Å; S319-G369 PolarHBondContact O-N 2.97Å; V320-G369 WeakPolarHBondContact CA-O 3.43Å; L321-G369 PolarHBondContact N-O 2.62Å; V363-G369 WeakPolarHBondContact CG2-O 3.19Å
370	R	98.1	Very high	94.7	Very high	25 Å²	25	25.5 Å²	25.5	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149	172.4	49.5	-176.8	178.7	129.4	8.6	110.5	F56 L321 Y323 V359 V363 N402 E404	F56-R370 WeakPolarHBondContact CE2-O 3.31Å; L321-R370 WeakPolarHBondContact O-CA 3.36Å; Y323-R370 HydrophobicContact CE1-CB 4.47Å; V359-R370 HydrophobicContact CG1-CB 3.79Å; V359-R370 HydrophobicContact CG1-CG 4.43Å; V363-R370 HydrophobicContact CG2-CB 4.03Å; R370-N402 PolarHBondContact NH2-O 3.03Å; R370-E404 VanDerWaalsContact C-OE1 3.23Å; R370-E404 WeakPolarHBondContact CD-OE2 3.42Å; R370-E404 WeakPolarHBondContact CG-OE1 3.36Å; R370-E404 IonicContact CZ-OE2 2.98Å; R370-E404 IonicContact NE-OE2 3.26Å; R370-E404 PolarHBondContact NE-OE2 3.11Å; R370-E404 IonicContact NH1-OE2 3.61Å; R370-E404 PolarHBondContact NH1-OE2 3.01Å; R370-E404 IonicContact NH2-OE2 3.81Å
371	F	98.8	Very high	94.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	125.9	177.8	-160.1	-64	0	0	0	109.7	F56 F66 V99 I139 L232 F282 V320 L321 Y323 T373 E404 S405 T407	F56-F371 HydrophobicContact CE1-CD2 4.46Å; F56-F371 HydrophobicContact CE2-CD2 4.04Å; F56-F371 HydrophobicContact CZ-CB 4.3Å; F56-F371 AromaticContact CZ-CD2 3.67Å; F56-F371 HydrophobicContact CZ-CD2 3.67Å; F56-F371 HydrophobicContact CZ-CG 4.47Å; F66-F371 HydrophobicContact CB-CE2 3.72Å; F66-F371 HydrophobicContact CB-CZ 4.06Å; F66-F371 HydrophobicContact CD2-CE2 4.27Å; F66-F371 HydrophobicContact CG-CE2 4.3Å; V99-F371 HydrophobicContact CG1-CZ 4.01Å; I139-F371 HydrophobicContact CD1-CD2 4.38Å; I139-F371 HydrophobicContact CD1-CE1 4.16Å; I139-F371 HydrophobicContact CD1-CE2 3.94Å; I139-F371 HydrophobicContact CD1-CZ 3.85Å; L232-F371 HydrophobicContact CD2-CE2 4.32Å; F282-F371 HydrophobicContact CD1-CB 4.33Å; F282-F371 HydrophobicContact CE1-CB 3.71Å; F282-F371 AromaticContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CE2 4.43Å; F282-F371 AromaticContact CE1-CG 3.74Å; F282-F371 HydrophobicContact CE1-CG 3.74Å; F282-F371 HydrophobicContact CZ-CD2 4.07Å; V320-F371 HydrophobicContact CG1-CB 3.72Å; L321-F371 PolarHBondContact O-N 3.19Å; Y323-F371 WeakPolarHBondContact CD1-O 3.44Å; Y323-F371 PolarHBondContact N-O 3.35Å; Y323-F371 VanDerWaalsContact N-O 3.16Å; F371-T373 VanDerWaalsContact C-N 3.3Å; F371-T373 HydrophobicContact CB-CG2 4.22Å; F371-T373 HydrophobicContact CD1-CG2 3.58Å; F371-T373 HydrophobicContact CE1-CG2 4.27Å; F371-T373 HydrophobicContact CG-CG2 4.16Å; F371-T373 PolarHBondContact O-N 2.9Å; F371-E404 WeakPolarHBondContact CA-OE1 3.36Å; F371-E404 PolarHBondContact N-OE1 3.27Å; F371-S405 VanDerWaalsContact CD2-CB 3.5Å; F371-S405 VanDerWaalsContact CE2-CB 3.45Å; F371-T407 HydrophobicContact CE1-CG2 3.99Å; F371-T407 HydrophobicContact CZ-CG2 4.15Å
372	L	98.7	Very high	93.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	80.5	170.3	177.6	66.5	0	0	0	109.4	Y323 F356 E374 F375 V395 E404 S405 W406 T407	Y323-L372 HydrophobicContact CD2-CD1 3.87Å; Y323-L372 HydrophobicContact CE1-CB 4.12Å; Y323-L372 HydrophobicContact CE2-CB 4.19Å; Y323-L372 HydrophobicContact CE2-CD1 3.48Å; Y323-L372 VanDerWaalsContact CE2-CD1 3.48Å; Y323-L372 HydrophobicContact CE2-CG 4.4Å; Y323-L372 CarbonylContact O-C 3.58Å; Y323-L372 WeakPolarHBondContact O-CA 3.39Å; F356-L372 HydrophobicContact CZ-CD2 4.09Å; L372-E374 WeakPolarHBondContact CD1-O 3.34Å; L372-E374 PolarHBondContact O-N 3.36Å; L372-F375 HydrophobicContact CD1-CB 4.45Å; L372-F375 HydrophobicContact CD2-CB 4.19Å; L372-F375 HydrophobicContact CD2-CD1 3.74Å; L372-F375 HydrophobicContact CD2-CE1 4.47Å; L372-F375 HydrophobicContact CD2-CG 4.13Å; L372-F375 HydrophobicContact CG-CB 4.46Å; L372-F375 HydrophobicContact CG-CD1 4.13Å; L372-V395 HydrophobicContact CD2-CG1 3.94Å; L372-E404 HydrophobicContact CB-CG 4.05Å; L372-S405 PolarHBondContact N-O 3.24Å; L372-W406 HydrophobicContact CB-CB 3.99Å; L372-W406 HydrophobicContact CD2-CB 4.06Å; L372-W406 HydrophobicContact CG-CB 4.25Å; L372-W406 CarbonylContact O-C 3.51Å; L372-W406 WeakPolarHBondContact O-CA 3.28Å; L372-T407 PolarHBondContact O-N 3.14Å
373	T	98.5	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-17.7	-172.9	42.4	0	0	0	0	112.8	N70 R101 F282 S322 Y323 H324 F371 T407	N70-T373 PolarHBondContact ND2-O 3.33Å; R101-T373 WeakPolarHBondContact CD-O 3.42Å; F282-T373 HydrophobicContact CD1-CG2 4.03Å; F282-T373 HydrophobicContact CE1-CG2 4.35Å; S322-T373 WeakPolarHBondContact OG-CB 3.23Å; S322-T373 WeakPolarHBondContact OG-CG2 3.35Å; S322-T373 PolarHBondContact OG-OG1 2.93Å; Y323-T373 PolarHBondContact N-OG1 2.78Å; Y323-T373 PolarHBondContact O-N 3.33Å; Y323-T373 VanDerWaalsContact O-N 3.07Å; Y323-T373 PolarHBondContact O-OG1 3.2Å; H324-T373 PolarHBondContact CD2-OG1 2.75Å; H324-T373 PolarHBondContact NE2-OG1 3.38Å; F371-T373 VanDerWaalsContact C-N 3.3Å; F371-T373 HydrophobicContact CB-CG2 4.22Å; F371-T373 HydrophobicContact CD1-CG2 3.58Å; F371-T373 HydrophobicContact CE1-CG2 4.27Å; F371-T373 HydrophobicContact CG-CG2 4.16Å; F371-T373 PolarHBondContact O-N 2.9Å; T373-T407 VanDerWaalsContact CA-OG1 3.28Å; T373-T407 WeakPolarHBondContact CA-OG1 3.46Å; T373-T407 PolarHBondContact O-OG1 3.47Å
374	E	97.4	Very high	93.5	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	133.3	174.7	-148.6	176.7	112	0	0	112.9	R101 H324 Y325 Y326 L372 T407 W409	R101-E374 IonicContact NH1-OE2 3.81Å; R101-E374 PolarHBondContact NH1-OE2 2.96Å; H324-E374 CarbonylContact C-O 3.58Å; H324-E374 WeakPolarHBondContact CA-O 3.46Å; H324-E374 HydrophobicContact CB-CB 4.02Å; H324-E374 WeakPolarHBondContact CD2-CB 3.39Å; H324-E374 VanDerWaalsContact CE1-CB 3.43Å; H324-E374 WeakPolarHBondContact CE1-CB 3.21Å; H324-E374 VanDerWaalsContact CE1-CD 3.48Å; H324-E374 IonicContact CE1-OE2 2.65Å; H324-E374 PolarHBondContact CE1-OE2 2.81Å; H324-E374 WeakPolarHBondContact ND1-CB 3.25Å; H324-E374 IonicContact ND1-OE1 3.38Å; H324-E374 IonicContact ND1-OE2 2.96Å; H324-E374 VanDerWaalsContact NE2-CB 3.32Å; H324-E374 WeakPolarHBondContact NE2-CB 3.45Å; H324-E374 IonicContact NE2-OE2 2.66Å; Y325-E374 PolarHBondContact N-O 3Å; Y326-E374 HydrophobicContact CE2-CG 4.41Å; Y326-E374 WeakPolarHBondContact CE2-OE1 3.38Å; Y326-E374 WeakPolarHBondContact OH-CG 3.38Å; Y326-E374 PolarHBondContact OH-OE1 3.34Å; L372-E374 WeakPolarHBondContact CD1-O 3.34Å; L372-E374 PolarHBondContact O-N 3.36Å; E374-T407 WeakPolarHBondContact CA-O 3.16Å; E374-W409 VanDerWaalsContact CD-CE3 3.47Å; E374-W409 HydrophobicContact CG-CB 3.58Å; E374-W409 HydrophobicContact CG-CD2 4.18Å; E374-W409 HydrophobicContact CG-CE3 3.89Å; E374-W409 HydrophobicContact CG-CG 4.07Å; E374-W409 VanDerWaalsContact OE2-CE3 3.3Å
375	F	95.7	Very high	93.4	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.3	160.9	72.7	-77.6	0	0	0	107.2	Y325 L372 V395 L396 W406 Y408 W409 F428	Y325-F375 WeakPolarHBondContact O-CA 3.33Å; Y325-F375 WeakPolarHBondContact O-CB 3.2Å; L372-F375 HydrophobicContact CD1-CB 4.45Å; L372-F375 HydrophobicContact CD2-CB 4.19Å; L372-F375 HydrophobicContact CD2-CD1 3.74Å; L372-F375 HydrophobicContact CD2-CE1 4.47Å; L372-F375 HydrophobicContact CD2-CG 4.13Å; L372-F375 HydrophobicContact CG-CB 4.46Å; L372-F375 HydrophobicContact CG-CD1 4.13Å; F375-V395 HydrophobicContact CB-CG1 4.09Å; F375-V395 HydrophobicContact CD1-CG1 4.42Å; F375-V395 HydrophobicContact CD2-CB 4.12Å; F375-V395 HydrophobicContact CD2-CG1 3.57Å; F375-V395 HydrophobicContact CE2-CB 4.48Å; F375-V395 HydrophobicContact CE2-CG1 4.07Å; F375-V395 HydrophobicContact CG-CG1 3.76Å; F375-L396 HydrophobicContact CE2-CD2 4.26Å; F375-L396 HydrophobicContact CE2-CG 4.36Å; F375-L396 HydrophobicContact CZ-CD2 3.72Å; F375-L396 HydrophobicContact CZ-CG 4.31Å; F375-W406 HydrophobicContact CD1-CB 4.39Å; F375-W406 HydrophobicContact CE1-CB 3.97Å; F375-W406 AromaticContact CE1-CD2 3.91Å; F375-W406 HydrophobicContact CE1-CD2 3.91Å; F375-W406 AromaticContact CE1-CE3 3.6Å; F375-W406 HydrophobicContact CE1-CE3 3.6Å; F375-W406 HydrophobicContact CE1-CG 4.1Å; F375-W406 HydrophobicContact CE1-CZ3 4.41Å; F375-W406 HydrophobicContact CZ-CD2 4.29Å; F375-W406 AromaticContact CZ-CE3 3.95Å; F375-W406 HydrophobicContact CZ-CE3 3.95Å; F375-W406 HydrophobicContact CZ-CZ3 4.37Å; F375-Y408 HydrophobicContact CD2-CD2 4.21Å; F375-Y408 AromaticContact CE2-CD2 3.72Å; F375-Y408 HydrophobicContact CE2-CD2 3.72Å; F375-Y408 AromaticContact CZ-CD2 3.9Å; F375-Y408 HydrophobicContact CZ-CD2 3.9Å; F375-Y408 HydrophobicContact CZ-CG 4.4Å; F375-W409 PolarHBondContact O-N 3.19Å; F375-F428 HydrophobicContact CE2-CE1 4.31Å; F375-F428 HydrophobicContact CZ-CE1 4.14Å
376	G	91.4	Very high	93.5	Very high	5 Å²	5	25.3 Å²	25.3	5%	0.052	15%	0.152	C	C	.	.			trans	-179.5	-146.8	-176.7	0	0	0	0	0	111.7	Y326 C378	Y326-G376 VanDerWaalsContact CE1-N 3.31Å; G376-C378 PolarHBondContact O-N 3.23Å
377	L	84.2	Confident	93.4	Very high	104 Å²	104	25.4 Å²	25.4	55%	0.545	15%	0.153	S	C	.	.	S	Bend	trans	56.9	26.1	-170.5	-56.3	177.6	0	0	0	112.8	Y326 E331	Y326-L377 HydrophobicContact CD1-CB 4.43Å; Y326-L377 HydrophobicContact CD1-CD1 3.77Å; Y326-L377 HydrophobicContact CD1-CG 3.87Å; Y326-L377 HydrophobicContact CE1-CD1 4.2Å; Y326-L377 HydrophobicContact CE1-CG 3.87Å; E331-L377 HydrophobicContact CG-CD1 3.84Å
378	C	88.5	Confident	93.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.014	15%	0.152	C	C	.	.			trans	-146.2	126.7	175.1	72.4	0	0	0	0	108.2	G376 N388 E391 C392 Y408	G376-C378 PolarHBondContact O-N 3.23Å; C378-N388 WeakPolarHBondContact CB-O 3.19Å; C378-E391 HydrophobicContact CB-CB 4Å; C378-E391 HydrophobicContact CB-CG 4.16Å; C378-C392 HydrophobicContact CB-CB 3.93Å; C378-C392 WeakPolarHBondContact CB-SG 3.2Å; C378-C392 PolarHBondContact O-SG 3.39Å; C378-C392 WeakPolarHBondContact SG-CA 3.29Å; C378-C392 WeakPolarHBondContact SG-CB 3.46Å; C378-C392 PolarHBondContact SG-N 3.29Å; C378-C392 VanDerWaalsContact SG-N 3.39Å; C378-C392 CovalentContact SG-SG 2.05Å; C378-C392 PolarHBondContact SG-SG 3.18Å; C378-Y408 VanDerWaalsContact O-CE2 3.28Å; C378-Y408 WeakPolarHBondContact O-CE2 3.3Å; C378-Y408 PolarHBondContact O-OH 2.75Å
379	L	89.1	Confident	93	Very high	34 Å²	34	26.3 Å²	26.3	18%	0.178	16%	0.155	C	C	.	.			trans	-138.6	110.5	170.5	179.2	67.2	0	0	0	106.9	D381 N388 L414 F428	L379-D381 PolarHBondContact O-N 3.01Å; L379-N388 PolarHBondContact N-OD1 3.26Å; L379-N388 WeakPolarHBondContact O-CB 3.23Å; L379-N388 PolarHBondContact O-ND2 3.21Å; L379-N388 PolarHBondContact O-OD1 2.81Å; L379-L414 HydrophobicContact CD1-CD2 4.46Å; L379-F428 HydrophobicContact CD1-CE2 4.45Å
380	P	87.7	Confident	92.9	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.026	16%	0.158	C	C	.	.			trans	-49.7	136	-175	-25.3	30.7	0	0	0	111.6	C392 S424 S427 F428	P380-C392 HydrophobicContact CG-CB 4.2Å; P380-S424 WeakPolarHBondContact CD-O 3.25Å; P380-S424 WeakPolarHBondContact CG-O 3.41Å; P380-S424 WeakPolarHBondContact O-CA 3.41Å; P380-S424 WeakPolarHBondContact O-CB 3.35Å; P380-S424 PolarHBondContact O-OG 3.49Å; P380-S427 WeakPolarHBondContact CG-OG 3.34Å; P380-F428 HydrophobicContact CG-CE2 4.37Å
381	D	88.3	Confident	92.7	Very high	56 Å²	56	25.9 Å²	25.9	30%	0.299	16%	0.155	S	C	.	.			trans	-118.9	12.5	-173.4	54.6	14.7	0	0	0	112.1	L379 N383 S386 N388 T389	L379-D381 PolarHBondContact O-N 3.01Å; D381-N383 PolarHBondContact O-N 2.98Å; D381-N383 WeakPolarHBondContact OD1-CB 3.3Å; D381-N383 PolarHBondContact OD1-N 3.4Å; D381-N383 VanDerWaalsContact OD1-N 3.12Å; D381-S386 VanDerWaalsContact CG-OG 3.29Å; D381-S386 WeakPolarHBondContact OD1-CB 3.25Å; D381-S386 PolarHBondContact OD1-OG 2.88Å; D381-S386 WeakPolarHBondContact OD2-CB 3.08Å; D381-S386 PolarHBondContact OD2-OG 3.06Å; D381-N388 PolarHBondContact OD2-ND2 3Å; D381-T389 PolarHBondContact OD1-OG1 2.94Å
382	G	87.1	Confident	92.5	Very high	45 Å²	45	25.9 Å²	25.9	46%	0.464	16%	0.155	S	C	.	.	S	Bend	trans	81	-9.7	-176.6	0	0	0	0	0	114.3	P384	G382-P384 WeakPolarHBondContact O-CD 3.49Å
383	N	92.2	Very high	92.3	Very high	65 Å²	65	27 Å²	27	35%	0.348	16%	0.161	S	C	.	.			trans	-87.2	113.9	170.3	179.4	4.4	0	0	0	109.5	D381 D385 S386 T389	D381-N383 PolarHBondContact O-N 2.98Å; D381-N383 WeakPolarHBondContact OD1-CB 3.3Å; D381-N383 PolarHBondContact OD1-N 3.4Å; D381-N383 VanDerWaalsContact OD1-N 3.12Å; N383-D385 PolarHBondContact O-N 3.17Å; N383-D385 VanDerWaalsContact O-N 3.17Å; N383-D385 PolarHBondContact OD1-N 3.07Å; N383-D385 VanDerWaalsContact OD1-N 3.09Å; N383-S386 PolarHBondContact O-N 3.39Å; N383-S386 PolarHBondContact O-OG 2.56Å; N383-T389 WeakPolarHBondContact O-CB 3.38Å; N383-T389 PolarHBondContact O-OG1 2.71Å
384	P	91.6	Very high	92.2	Very high	86 Å²	86	27.6 Å²	27.6	56%	0.558	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19	-178.1	27.9	-35.8	0	0	0	113.9	G382 V390	G382-P384 WeakPolarHBondContact O-CD 3.49Å; P384-V390 VanDerWaalsContact O-CG2 3.29Å; P384-V390 WeakPolarHBondContact O-CG2 3.27Å
385	D	93.3	Very high	92.2	Very high	83 Å²	83	27.2 Å²	27.2	44%	0.444	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-3.5	-176.4	-59	-46.8	0	0	0	113.4	H338 M339 N383	H338-D385 CarbonylContact C-O 3.43Å; H338-D385 WeakPolarHBondContact CA-O 3.45Å; M339-D385 PolarHBondContact N-O 3.23Å; N383-D385 PolarHBondContact O-N 3.17Å; N383-D385 VanDerWaalsContact O-N 3.17Å; N383-D385 PolarHBondContact OD1-N 3.07Å; N383-D385 VanDerWaalsContact OD1-N 3.09Å
386	S	94.8	Very high	92.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-69.1	151	176.7	65.3	0	0	0	0	111.5	E337 D381 N383 N388 T389 V390	E337-S386 CarbonylContact O-C 3.42Å; E337-S386 WeakPolarHBondContact O-CA 3.25Å; D381-S386 VanDerWaalsContact CG-OG 3.29Å; D381-S386 WeakPolarHBondContact OD1-CB 3.25Å; D381-S386 PolarHBondContact OD1-OG 2.88Å; D381-S386 WeakPolarHBondContact OD2-CB 3.08Å; D381-S386 PolarHBondContact OD2-OG 3.06Å; N383-S386 PolarHBondContact O-N 3.39Å; N383-S386 PolarHBondContact O-OG 2.56Å; S386-N388 PolarHBondContact O-N 3.43Å; S386-T389 PolarHBondContact O-N 2.74Å; S386-T389 PolarHBondContact OG-N 3.39Å; S386-T389 PolarHBondContact OG-OG1 3.06Å; S386-V390 WeakPolarHBondContact O-CB 3.44Å; S386-V390 VanDerWaalsContact O-CG2 3.28Å; S386-V390 WeakPolarHBondContact O-CG2 3.5Å; S386-V390 PolarHBondContact O-N 3.26Å
387	I	94	Very high	92.5	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-53.3	-42.7	172.2	-71.1	166	0	0	0	110.4	L330 T333 A335 E337 M339 T389 V390 E391	L330-I387 HydrophobicContact CB-CG2 4.25Å; L330-I387 HydrophobicContact CD1-CG2 3.99Å; L330-I387 HydrophobicContact CD2-CD1 4.36Å; L330-I387 HydrophobicContact CD2-CG1 4.38Å; L330-I387 HydrophobicContact CD2-CG2 4.11Å; L330-I387 HydrophobicContact CG-CG2 4.33Å; T333-I387 HydrophobicContact CG2-CD1 3.47Å; T333-I387 VanDerWaalsContact CG2-CD1 3.47Å; A335-I387 HydrophobicContact CB-CG2 4.34Å; A335-I387 WeakPolarHBondContact O-CB 3.25Å; A335-I387 PolarHBondContact O-N 3.4Å; E337-I387 PolarHBondContact O-N 3.23Å; M339-I387 HydrophobicContact CB-CG1 3.75Å; M339-I387 HydrophobicContact CG-CG1 3.98Å; I387-T389 PolarHBondContact O-N 3.21Å; I387-V390 PolarHBondContact O-N 2.9Å; I387-E391 WeakPolarHBondContact O-CB 3.19Å; I387-E391 PolarHBondContact O-N 3.03Å
388	N	92.5	Very high	93.2	Very high	17 Å²	17	24.4 Å²	24.4	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-47.1	-56.7	173.4	-91.9	-31	0	0	0	113	A335 C378 L379 D381 S386 C392	A335-N388 WeakPolarHBondContact CB-OD1 3.36Å; A335-N388 WeakPolarHBondContact O-CB 2.88Å; A335-N388 PolarHBondContact O-N 2.87Å; A335-N388 PolarHBondContact O-ND2 3.4Å; C378-N388 WeakPolarHBondContact CB-O 3.19Å; L379-N388 PolarHBondContact N-OD1 3.26Å; L379-N388 WeakPolarHBondContact O-CB 3.23Å; L379-N388 PolarHBondContact O-ND2 3.21Å; L379-N388 PolarHBondContact O-OD1 2.81Å; D381-N388 PolarHBondContact OD2-ND2 3Å; S386-N388 PolarHBondContact O-N 3.43Å; N388-C392 WeakPolarHBondContact O-CB 3.34Å; N388-C392 PolarHBondContact O-N 3.09Å
389	T	93.4	Very high	93.6	Very high	14 Å²	14	24.3 Å²	24.3	9%	0.086	15%	0.148	C	C	.	.	H	α-helix	trans	-77.6	-40.3	-175.1	-57.1	0	0	0	0	111.6	D381 N383 S386 I387 N393	D381-T389 PolarHBondContact OD1-OG1 2.94Å; N383-T389 WeakPolarHBondContact O-CB 3.38Å; N383-T389 PolarHBondContact O-OG1 2.71Å; S386-T389 PolarHBondContact O-N 2.74Å; S386-T389 PolarHBondContact OG-N 3.39Å; S386-T389 PolarHBondContact OG-OG1 3.06Å; I387-T389 PolarHBondContact O-N 3.21Å; T389-N393 VanDerWaalsContact O-CB 3.3Å; T389-N393 WeakPolarHBondContact O-CB 3.42Å; T389-N393 VanDerWaalsContact O-CG 3.22Å; T389-N393 PolarHBondContact O-N 3.17Å; T389-N393 VanDerWaalsContact O-N 3.09Å; T389-N393 PolarHBondContact O-ND2 3.03Å; T389-N393 VanDerWaalsContact O-ND2 3.16Å
390	V	95	Very high	94	Very high	11 Å²	11	22.9 Å²	22.9	7%	0.067	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-47.6	-176.8	-179.6	0	0	0	0	111.3	M339 R344 P384 S386 I387 N393 A394	M339-V390 HydrophobicContact CB-CB 4.36Å; M339-V390 HydrophobicContact CB-CG2 4.39Å; M339-V390 HydrophobicContact SD-CB 3.72Å; M339-V390 HydrophobicContact SD-CG1 3.26Å; M339-V390 WeakPolarHBondContact SD-CG1 3.48Å; R344-V390 HydrophobicContact CG-CG1 4.12Å; P384-V390 VanDerWaalsContact O-CG2 3.29Å; P384-V390 WeakPolarHBondContact O-CG2 3.27Å; S386-V390 WeakPolarHBondContact O-CB 3.44Å; S386-V390 VanDerWaalsContact O-CG2 3.28Å; S386-V390 WeakPolarHBondContact O-CG2 3.5Å; S386-V390 PolarHBondContact O-N 3.26Å; I387-V390 PolarHBondContact O-N 2.9Å; V390-N393 PolarHBondContact O-N 2.83Å; V390-A394 WeakPolarHBondContact O-CB 3.02Å; V390-A394 PolarHBondContact O-N 3.36Å
391	E	95.1	Very high	94.4	Very high	5 Å²	5	29 Å²	29	2%	0.023	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-47.5	-178.2	-178.2	66.7	178.1	0	0	111.3	Y325 L330 C378 I387 N393 A394 V395	Y325-E391 VanDerWaalsContact CE1-OE1 3.31Å; Y325-E391 WeakPolarHBondContact CE1-OE1 3.33Å; L330-E391 HydrophobicContact CD1-CB 4.04Å; L330-E391 VanDerWaalsContact CD1-CD 3.44Å; L330-E391 HydrophobicContact CD1-CG 3.78Å; L330-E391 WeakPolarHBondContact CD1-OE2 3.49Å; C378-E391 HydrophobicContact CB-CB 4Å; C378-E391 HydrophobicContact CB-CG 4.16Å; I387-E391 WeakPolarHBondContact O-CB 3.19Å; I387-E391 PolarHBondContact O-N 3.03Å; E391-N393 VanDerWaalsContact C-N 3.33Å; E391-N393 PolarHBondContact O-N 3.39Å; E391-A394 WeakPolarHBondContact O-CB 3.42Å; E391-A394 PolarHBondContact O-N 3.24Å; E391-V395 HydrophobicContact CG-CG2 4.45Å; E391-V395 WeakPolarHBondContact O-CG2 3.24Å; E391-V395 PolarHBondContact O-N 3.1Å
392	C	94.1	Very high	94.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-44.1	177.7	-93.6	0	0	0	0	112	C378 P380 N388 A394 L396	C378-C392 HydrophobicContact CB-CB 3.93Å; C378-C392 WeakPolarHBondContact CB-SG 3.2Å; C378-C392 PolarHBondContact O-SG 3.39Å; C378-C392 WeakPolarHBondContact SG-CA 3.29Å; C378-C392 WeakPolarHBondContact SG-CB 3.46Å; C378-C392 PolarHBondContact SG-N 3.29Å; C378-C392 VanDerWaalsContact SG-N 3.39Å; C378-C392 CovalentContact SG-SG 2.05Å; C378-C392 PolarHBondContact SG-SG 3.18Å; P380-C392 HydrophobicContact CG-CB 4.2Å; N388-C392 WeakPolarHBondContact O-CB 3.34Å; N388-C392 PolarHBondContact O-N 3.09Å; C392-A394 VanDerWaalsContact C-N 3.34Å; C392-A394 PolarHBondContact O-N 3.01Å; C392-L396 VanDerWaalsContact O-CB 3.32Å; C392-L396 WeakPolarHBondContact O-CB 3.41Å; C392-L396 WeakPolarHBondContact O-CD1 3.32Å; C392-L396 VanDerWaalsContact O-CG 3.26Å; C392-L396 WeakPolarHBondContact O-CG 3.28Å; C392-L396 PolarHBondContact O-N 3.05Å
393	N	95.2	Very high	95.2	Very high	25 Å²	25	26 Å²	26	13%	0.134	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-40.2	174.7	-75.2	-25.6	0	0	0	111.8	T389 V390 E391 N397 S427	T389-N393 VanDerWaalsContact O-CB 3.3Å; T389-N393 WeakPolarHBondContact O-CB 3.42Å; T389-N393 VanDerWaalsContact O-CG 3.22Å; T389-N393 PolarHBondContact O-N 3.17Å; T389-N393 VanDerWaalsContact O-N 3.09Å; T389-N393 PolarHBondContact O-ND2 3.03Å; T389-N393 VanDerWaalsContact O-ND2 3.16Å; V390-N393 PolarHBondContact O-N 2.83Å; E391-N393 VanDerWaalsContact C-N 3.33Å; E391-N393 PolarHBondContact O-N 3.39Å; N393-N397 WeakPolarHBondContact O-CB 3.35Å; N393-N397 PolarHBondContact O-N 3.48Å; N393-N397 PolarHBondContact O-ND2 3.06Å; N393-S427 VanDerWaalsContact OD1-CB 3.22Å; N393-S427 WeakPolarHBondContact OD1-CB 3.46Å; N393-S427 PolarHBondContact OD1-OG 3.38Å
394	A	96.1	Very high	95.5	Very high	11 Å²	11	23 Å²	23	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-51.8	179.8	0	0	0	0	0	111.5	D348 L352 V390 E391 C392 N397 A398	D348-A394 HydrophobicContact CB-CB 4.4Å; L352-A394 HydrophobicContact CD2-CB 4.04Å; L352-A394 WeakPolarHBondContact CD2-O 3.21Å; V390-A394 WeakPolarHBondContact O-CB 3.02Å; V390-A394 PolarHBondContact O-N 3.36Å; E391-A394 WeakPolarHBondContact O-CB 3.42Å; E391-A394 PolarHBondContact O-N 3.24Å; C392-A394 VanDerWaalsContact C-N 3.34Å; C392-A394 PolarHBondContact O-N 3.01Å; A394-N397 PolarHBondContact O-N 3.09Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 3.37Å
395	V	97.3	Very high	95.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-48.4	-180	179.4	0	0	0	0	111.1	Y325 L352 L372 F375 E391 N397 A398 A399	Y325-V395 HydrophobicContact CD1-CG1 4.45Å; Y325-V395 HydrophobicContact CD1-CG2 3.67Å; Y325-V395 HydrophobicContact CE1-CG2 3.57Å; L352-V395 HydrophobicContact CD1-CG2 4.17Å; L372-V395 HydrophobicContact CD2-CG1 3.94Å; F375-V395 HydrophobicContact CB-CG1 4.09Å; F375-V395 HydrophobicContact CD1-CG1 4.42Å; F375-V395 HydrophobicContact CD2-CB 4.12Å; F375-V395 HydrophobicContact CD2-CG1 3.57Å; F375-V395 HydrophobicContact CE2-CB 4.48Å; F375-V395 HydrophobicContact CE2-CG1 4.07Å; F375-V395 HydrophobicContact CG-CG1 3.76Å; E391-V395 HydrophobicContact CG-CG2 4.45Å; E391-V395 WeakPolarHBondContact O-CG2 3.24Å; E391-V395 PolarHBondContact O-N 3.1Å; V395-N397 PolarHBondContact O-N 3.01Å; V395-A398 CarbonylContact O-C 3.46Å; V395-A398 WeakPolarHBondContact O-CB 3.11Å; V395-A398 PolarHBondContact O-N 3.25Å; V395-A398 VanDerWaalsContact O-N 3.11Å; V395-A399 PolarHBondContact O-N 3.42Å
396	L	97	Very high	96.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.9	-38.7	-179.7	-68.7	170.7	0	0	0	112.4	F375 C392 A398 A399 D400 W406 S427 F428	F375-L396 HydrophobicContact CE2-CD2 4.26Å; F375-L396 HydrophobicContact CE2-CG 4.36Å; F375-L396 HydrophobicContact CZ-CD2 3.72Å; F375-L396 HydrophobicContact CZ-CG 4.31Å; C392-L396 VanDerWaalsContact O-CB 3.32Å; C392-L396 WeakPolarHBondContact O-CB 3.41Å; C392-L396 WeakPolarHBondContact O-CD1 3.32Å; C392-L396 VanDerWaalsContact O-CG 3.26Å; C392-L396 WeakPolarHBondContact O-CG 3.28Å; C392-L396 PolarHBondContact O-N 3.05Å; L396-A398 VanDerWaalsContact C-N 3.28Å; L396-A398 PolarHBondContact O-N 2.88Å; L396-A399 PolarHBondContact O-N 2.79Å; L396-D400 WeakPolarHBondContact O-CB 3.18Å; L396-D400 PolarHBondContact O-N 2.96Å; L396-W406 HydrophobicContact CD2-CD2 4.08Å; L396-W406 HydrophobicContact CD2-CH2 4.1Å; L396-W406 HydrophobicContact CD2-CZ2 3.59Å; L396-S427 WeakPolarHBondContact CD1-O 3.42Å; L396-F428 HydrophobicContact CD1-CD1 3.86Å; L396-F428 HydrophobicContact CD1-CE1 4.09Å; L396-F428 HydrophobicContact CD1-CG 4.36Å
397	N	96.8	Very high	96.2	Very high	50 Å²	50	15.5 Å²	15.5	27%	0.267	7%	0.074	S	C	.	.	H	α-helix	trans	-63.9	-35.8	172.2	-73.1	-31.3	0	0	0	111.4	N393 A394 V395 R401 R430	N393-N397 WeakPolarHBondContact O-CB 3.35Å; N393-N397 PolarHBondContact O-N 3.48Å; N393-N397 PolarHBondContact O-ND2 3.06Å; A394-N397 PolarHBondContact O-N 3.09Å; V395-N397 PolarHBondContact O-N 3.01Å; N397-R401 WeakPolarHBondContact O-CB 3.33Å; N397-R401 VanDerWaalsContact O-CG 3.27Å; N397-R401 WeakPolarHBondContact O-CG 3.48Å; N397-R401 PolarHBondContact O-N 2.86Å; N397-R401 PolarHBondContact O-NH1 3.33Å; N397-R401 VanDerWaalsContact O-NH1 3.11Å; N397-R430 PolarHBondContact OD1-NH2 2.99Å
398	A	97.4	Very high	96.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.7	-42	175.6	0	0	0	0	0	111.5	L352 F356 A394 V395 L396 D400 R401 N402	L352-A398 HydrophobicContact CD1-CB 4.07Å; L352-A398 HydrophobicContact CD2-CB 3.65Å; L352-A398 HydrophobicContact CG-CB 3.79Å; F356-A398 HydrophobicContact CD2-CB 4.2Å; F356-A398 HydrophobicContact CE2-CB 3.97Å; F356-A398 HydrophobicContact CZ-CB 4.15Å; A394-A398 WeakPolarHBondContact O-CB 3.39Å; A394-A398 PolarHBondContact O-N 3.37Å; V395-A398 CarbonylContact O-C 3.46Å; V395-A398 WeakPolarHBondContact O-CB 3.11Å; V395-A398 PolarHBondContact O-N 3.25Å; V395-A398 VanDerWaalsContact O-N 3.11Å; L396-A398 VanDerWaalsContact C-N 3.28Å; L396-A398 PolarHBondContact O-N 2.88Å; A398-D400 VanDerWaalsContact C-N 3.34Å; A398-D400 PolarHBondContact O-N 2.82Å; A398-R401 PolarHBondContact O-N 3.26Å; A398-N402 WeakPolarHBondContact O-CB 3.21Å; A398-N402 PolarHBondContact O-N 3.36Å; A398-N402 PolarHBondContact O-ND2 3.28Å
399	A	97.9	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.5	-47.8	174.1	0	0	0	0	0	111.4	F356 V395 L396 R401 N402 F403 E404	F356-A399 HydrophobicContact CE1-CB 4.36Å; F356-A399 HydrophobicContact CZ-CB 4.29Å; V395-A399 PolarHBondContact O-N 3.42Å; L396-A399 PolarHBondContact O-N 2.79Å; A399-R401 PolarHBondContact O-N 2.97Å; A399-N402 CarbonylContact O-C 3.44Å; A399-N402 PolarHBondContact O-N 3.21Å; A399-N402 VanDerWaalsContact O-N 3.14Å; A399-F403 PolarHBondContact O-N 3.44Å; A399-E404 HydrophobicContact CB-CB 4.21Å; A399-E404 PolarHBondContact O-N 3.03Å
400	D	97.4	Very high	95.7	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-56.8	-52.9	175.3	-80.1	-8.3	0	0	0	112.4	L396 A398 N402 F403 R430 L443 F445	L396-D400 WeakPolarHBondContact O-CB 3.18Å; L396-D400 PolarHBondContact O-N 2.96Å; A398-D400 VanDerWaalsContact C-N 3.34Å; A398-D400 PolarHBondContact O-N 2.82Å; D400-N402 PolarHBondContact O-N 2.74Å; D400-N402 VanDerWaalsContact O-N 3.12Å; D400-F403 PolarHBondContact O-N 3.41Å; D400-F403 VanDerWaalsContact O-N 3.1Å; D400-R430 IonicContact OD1-NE 2.72Å; D400-R430 IonicContact OD2-CZ 3.75Å; D400-R430 IonicContact OD2-NE 2.95Å; D400-R430 PolarHBondContact OD2-NE 2.89Å; D400-R430 IonicContact OD2-NH2 3.74Å; D400-R430 PolarHBondContact OD2-NH2 3.23Å; D400-L443 HydrophobicContact CB-CD2 3.4Å; D400-L443 WeakPolarHBondContact OD1-CD2 3.05Å; D400-F445 WeakPolarHBondContact OD2-CB 3.42Å
401	R	96.2	Very high	94.2	Very high	134 Å²	134	17 Å²	17	51%	0.506	8%	0.078	S	C	.	.	H	α-helix	trans	-58.4	-27.9	178.9	-76.1	-169.2	-48.7	-86.6	9.7	112.8	N353 N397 A398 A399	N353-R401 PolarHBondContact OD1-NH2 3.4Å; N397-R401 WeakPolarHBondContact O-CB 3.33Å; N397-R401 VanDerWaalsContact O-CG 3.27Å; N397-R401 WeakPolarHBondContact O-CG 3.48Å; N397-R401 PolarHBondContact O-N 2.86Å; N397-R401 PolarHBondContact O-NH1 3.33Å; N397-R401 VanDerWaalsContact O-NH1 3.11Å; A398-R401 PolarHBondContact O-N 3.26Å; A399-R401 PolarHBondContact O-N 2.97Å
402	N	96.5	Very high	93	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.112	9%	0.093	C	C	.	.	H	α-helix	trans	-100.8	0.9	-176.8	-71.6	-74.6	0	0	0	113.5	F356 R360 R370 A398 A399 D400 E404	F356-N402 HydrophobicContact CD1-CB 3.57Å; F356-N402 VanDerWaalsContact CD1-ND2 3.35Å; F356-N402 WeakPolarHBondContact CD1-ND2 3.33Å; F356-N402 HydrophobicContact CE1-CB 4.09Å; R360-N402 PolarHBondContact NH2-OD1 3Å; R370-N402 PolarHBondContact NH2-O 3.03Å; A398-N402 WeakPolarHBondContact O-CB 3.21Å; A398-N402 PolarHBondContact O-N 3.36Å; A398-N402 PolarHBondContact O-ND2 3.28Å; A399-N402 CarbonylContact O-C 3.44Å; A399-N402 PolarHBondContact O-N 3.21Å; A399-N402 VanDerWaalsContact O-N 3.14Å; D400-N402 PolarHBondContact O-N 2.74Å; D400-N402 VanDerWaalsContact O-N 3.12Å; N402-E404 HydrophobicContact CB-CB 4.39Å; N402-E404 PolarHBondContact O-N 3.38Å
403	F	96.4	Very high	91.6	Very high	17 Å²	17	24.6 Å²	24.6	8%	0.075	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	48.4	-171.8	-158.8	-96.2	0	0	0	111.2	Y55 I63 L65 A399 D400 P433 P440 L443 Y454	Y55-F403 AromaticContact CD1-CD1 3.95Å; Y55-F403 HydrophobicContact CD1-CD1 3.95Å; Y55-F403 HydrophobicContact CD1-CE1 4.34Å; Y55-F403 HydrophobicContact CE1-CB 4.45Å; Y55-F403 AromaticContact CE1-CD1 3.62Å; Y55-F403 HydrophobicContact CE1-CD1 3.62Å; Y55-F403 HydrophobicContact CE1-CE1 4.36Å; Y55-F403 HydrophobicContact CE1-CG 4.4Å; I63-F403 HydrophobicContact CG2-CE1 3.59Å; I63-F403 HydrophobicContact CG2-CZ 3.99Å; L65-F403 HydrophobicContact CB-CE1 4.14Å; L65-F403 HydrophobicContact CB-CE2 4.43Å; L65-F403 HydrophobicContact CB-CZ 3.87Å; L65-F403 HydrophobicContact CD1-CD1 4.13Å; L65-F403 HydrophobicContact CD1-CE1 4.14Å; L65-F403 HydrophobicContact CD1-CG 4.39Å; L65-F403 HydrophobicContact CD1-CZ 4.43Å; L65-F403 HydrophobicContact CD2-CD2 4.05Å; L65-F403 HydrophobicContact CD2-CE2 3.81Å; L65-F403 HydrophobicContact CD2-CZ 4.1Å; L65-F403 HydrophobicContact CG-CZ 4.37Å; A399-F403 PolarHBondContact O-N 3.44Å; D400-F403 PolarHBondContact O-N 3.41Å; D400-F403 VanDerWaalsContact O-N 3.1Å; F403-P433 HydrophobicContact CE2-CG 4.07Å; F403-P440 HydrophobicContact CD1-CB 4.33Å; F403-P440 HydrophobicContact CD1-CG 3.97Å; F403-P440 HydrophobicContact CD2-CB 3.79Å; F403-P440 HydrophobicContact CD2-CG 4.09Å; F403-P440 HydrophobicContact CE1-CB 4.32Å; F403-P440 HydrophobicContact CE1-CG 3.58Å; F403-P440 HydrophobicContact CE2-CB 3.75Å; F403-P440 HydrophobicContact CE2-CG 3.69Å; F403-P440 HydrophobicContact CG-CB 4.08Å; F403-P440 HydrophobicContact CG-CG 4.22Å; F403-P440 HydrophobicContact CZ-CB 4.03Å; F403-P440 HydrophobicContact CZ-CG 3.42Å; F403-P440 VanDerWaalsContact CZ-CG 3.42Å; F403-L443 HydrophobicContact CD2-CB 4.39Å; F403-L443 HydrophobicContact CD2-CD1 3.84Å; F403-L443 HydrophobicContact CE2-CD1 3.99Å; F403-Y454 HydrophobicContact CE2-CE2 4.04Å
404	E	97.9	Very high	90.2	Very high	2 Å²	2	24 Å²	24	1%	0.009	11%	0.108	C	C	.	.			trans	-98.4	131.1	-174.2	-170.1	67.8	-136.2	0	0	110.7	Y323 F356 R370 F371 L372 A399 N402	Y323-E404 VanDerWaalsContact OH-CD 3.26Å; Y323-E404 WeakPolarHBondContact OH-CG 3.06Å; F356-E404 HydrophobicContact CD1-CB 4.4Å; F356-E404 HydrophobicContact CD1-CG 4.46Å; F356-E404 HydrophobicContact CE1-CB 3.68Å; F356-E404 HydrophobicContact CE1-CG 3.73Å; R370-E404 VanDerWaalsContact C-OE1 3.23Å; R370-E404 WeakPolarHBondContact CD-OE2 3.42Å; R370-E404 WeakPolarHBondContact CG-OE1 3.36Å; R370-E404 IonicContact CZ-OE2 2.98Å; R370-E404 IonicContact NE-OE2 3.26Å; R370-E404 PolarHBondContact NE-OE2 3.11Å; R370-E404 IonicContact NH1-OE2 3.61Å; R370-E404 PolarHBondContact NH1-OE2 3.01Å; R370-E404 IonicContact NH2-OE2 3.81Å; F371-E404 WeakPolarHBondContact CA-OE1 3.36Å; F371-E404 PolarHBondContact N-OE1 3.27Å; L372-E404 HydrophobicContact CB-CG 4.05Å; A399-E404 HydrophobicContact CB-CB 4.21Å; A399-E404 PolarHBondContact O-N 3.03Å; N402-E404 HydrophobicContact CB-CB 4.39Å; N402-E404 PolarHBondContact O-N 3.38Å
405	S	98.7	Very high	89	Confident	4 Å²	4	24.2 Å²	24.2	3%	0.028	11%	0.107	C	C	.	.			trans	-76.1	144.9	170.4	-64.8	0	0	0	0	110.3	F66 F371 L372	F66-S405 PolarHBondContact N-OG 3.18Å; F66-S405 CarbonylContact O-C 3.51Å; F66-S405 WeakPolarHBondContact O-CA 3.37Å; F66-S405 WeakPolarHBondContact O-CB 3.41Å; F371-S405 VanDerWaalsContact CD2-CB 3.5Å; F371-S405 VanDerWaalsContact CE2-CB 3.45Å; L372-S405 PolarHBondContact N-O 3.24Å
406	W	98.3	Very high	87.5	Confident	6 Å²	6	28.6 Å²	28.6	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.8	-175.6	56.6	-98	0	0	0	115.1	F66 H67 G68 L372 F375 L396 F428	F66-W406 PolarHBondContact O-N 3.01Å; H67-W406 CarbonylContact C-O 3.53Å; H67-W406 WeakPolarHBondContact CA-O 3.35Å; H67-W406 HydrophobicContact CB-CD2 4.26Å; H67-W406 HydrophobicContact CB-CE3 4.5Å; H67-W406 HydrophobicContact CB-CH2 3.89Å; H67-W406 HydrophobicContact CB-CZ2 3.57Å; H67-W406 HydrophobicContact CB-CZ3 4.34Å; H67-W406 AromaticContact CD2-CD1 3.37Å; H67-W406 AromaticContact CD2-CE2 3.44Å; H67-W406 VanDerWaalsContact CD2-CE2 3.44Å; H67-W406 AromaticContact CD2-NE1 2.97Å; H67-W406 PolarHBondContact CD2-NE1 3.07Å; H67-W406 AromaticContact CE1-NE1 3.54Å; H67-W406 AromaticContact CG-CE2 3.44Å; H67-W406 VanDerWaalsContact CG-CE2 3.44Å; H67-W406 AromaticContact CG-CZ2 3.51Å; H67-W406 AromaticContact CG-NE1 3.44Å; H67-W406 AromaticContact ND1-CE2 3.88Å; H67-W406 AromaticContact ND1-CZ2 3.69Å; H67-W406 AromaticContact ND1-NE1 3.75Å; H67-W406 AromaticContact NE2-CD1 3.61Å; H67-W406 AromaticContact NE2-CE2 3.92Å; H67-W406 AromaticContact NE2-NE1 3.08Å; H67-W406 PolarHBondContact NE2-NE1 3.16Å; G68-W406 PolarHBondContact N-O 2.84Å; G68-W406 VanDerWaalsContact O-CZ3 3.26Å; G68-W406 WeakPolarHBondContact O-CZ3 3.45Å; L372-W406 HydrophobicContact CB-CB 3.99Å; L372-W406 HydrophobicContact CD2-CB 4.06Å; L372-W406 HydrophobicContact CG-CB 4.25Å; L372-W406 CarbonylContact O-C 3.51Å; L372-W406 WeakPolarHBondContact O-CA 3.28Å; F375-W406 HydrophobicContact CD1-CB 4.39Å; F375-W406 HydrophobicContact CE1-CB 3.97Å; F375-W406 AromaticContact CE1-CD2 3.91Å; F375-W406 HydrophobicContact CE1-CD2 3.91Å; F375-W406 AromaticContact CE1-CE3 3.6Å; F375-W406 HydrophobicContact CE1-CE3 3.6Å; F375-W406 HydrophobicContact CE1-CG 4.1Å; F375-W406 HydrophobicContact CE1-CZ3 4.41Å; F375-W406 HydrophobicContact CZ-CD2 4.29Å; F375-W406 AromaticContact CZ-CE3 3.95Å; F375-W406 HydrophobicContact CZ-CE3 3.95Å; F375-W406 HydrophobicContact CZ-CZ3 4.37Å; L396-W406 HydrophobicContact CD2-CD2 4.08Å; L396-W406 HydrophobicContact CD2-CH2 4.1Å; L396-W406 HydrophobicContact CD2-CZ2 3.59Å; W406-F428 HydrophobicContact CH2-CD1 4.24Å; W406-F428 HydrophobicContact CZ3-CD1 4.46Å
407	T	97.6	Very high	86	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.3	167.3	37.7	0	0	0	0	110.9	G68 N70 V99 R101 F371 L372 T373 E374	G68-T407 WeakPolarHBondContact O-CA 3.35Å; N70-T407 PolarHBondContact ND2-O 3.4Å; V99-T407 HydrophobicContact CG1-CG2 3.85Å; R101-T407 HydrophobicContact CB-CG2 4.09Å; F371-T407 HydrophobicContact CE1-CG2 3.99Å; F371-T407 HydrophobicContact CZ-CG2 4.15Å; L372-T407 PolarHBondContact O-N 3.14Å; T373-T407 VanDerWaalsContact CA-OG1 3.28Å; T373-T407 WeakPolarHBondContact CA-OG1 3.46Å; T373-T407 PolarHBondContact O-OG1 3.47Å; E374-T407 WeakPolarHBondContact CA-O 3.16Å
408	Y	95.6	Very high	84.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.7	-179.9	172.3	-96.7	0	0	0	112.2	G68 N70 F375 C378 E413 L414 F428	G68-Y408 PolarHBondContact O-N 2.66Å; N70-Y408 WeakPolarHBondContact CB-O 3.28Å; N70-Y408 PolarHBondContact N-O 2.9Å; N70-Y408 PolarHBondContact ND2-O 2.99Å; F375-Y408 HydrophobicContact CD2-CD2 4.21Å; F375-Y408 AromaticContact CE2-CD2 3.72Å; F375-Y408 HydrophobicContact CE2-CD2 3.72Å; F375-Y408 AromaticContact CZ-CD2 3.9Å; F375-Y408 HydrophobicContact CZ-CD2 3.9Å; F375-Y408 HydrophobicContact CZ-CG 4.4Å; C378-Y408 VanDerWaalsContact O-CE2 3.28Å; C378-Y408 WeakPolarHBondContact O-CE2 3.3Å; C378-Y408 PolarHBondContact O-OH 2.75Å; Y408-E413 PolarHBondContact OH-OE2 2.87Å; Y408-L414 HydrophobicContact CD1-CD1 3.31Å; Y408-L414 HydrophobicContact CD1-CG 3.76Å; Y408-L414 HydrophobicContact CE1-CD1 3.93Å; Y408-L414 HydrophobicContact CE1-CD2 4.46Å; Y408-L414 HydrophobicContact CE1-CG 3.83Å; Y408-L414 HydrophobicContact CG-CD1 4.05Å; Y408-F428 HydrophobicContact CD1-CZ 4.45Å; Y408-F428 AromaticContact CD2-CE1 3.54Å; Y408-F428 HydrophobicContact CD2-CE1 3.54Å; Y408-F428 AromaticContact CD2-CZ 3.56Å; Y408-F428 HydrophobicContact CD2-CZ 3.56Å; Y408-F428 HydrophobicContact CE1-CZ 4.47Å; Y408-F428 HydrophobicContact CE2-CE1 4.07Å; Y408-F428 AromaticContact CE2-CZ 3.57Å; Y408-F428 HydrophobicContact CE2-CZ 3.57Å; Y408-F428 AromaticContact CG-CE1 3.77Å; Y408-F428 HydrophobicContact CG-CE1 3.77Å; Y408-F428 HydrophobicContact CG-CZ 4Å
409	W	93.4	Very high	83.3	Confident	42 Å²	42	33.9 Å²	33.9	16%	0.159	17%	0.165	C	C	.	.	S	Bend	trans	-99.4	117.3	171.7	-172.2	-88.9	0	0	0	111.4	N70 V72 H143 E374 F375	N70-W409 HydrophobicContact CB-CD2 4.45Å; N70-W409 HydrophobicContact CB-CE3 3.56Å; N70-W409 HydrophobicContact CB-CZ3 3.94Å; V72-W409 HydrophobicContact CB-CH2 3.99Å; V72-W409 HydrophobicContact CB-CZ3 4.2Å; V72-W409 HydrophobicContact CG1-CH2 4.49Å; V72-W409 HydrophobicContact CG2-CH2 4.26Å; V72-W409 HydrophobicContact CG2-CZ3 3.97Å; H143-W409 AromaticContact CE1-CH2 3.49Å; H143-W409 VanDerWaalsContact CE1-CH2 3.49Å; H143-W409 WeakPolarHBondContact CE1-CH2 3.24Å; H143-W409 AromaticContact CE1-CZ3 3.42Å; H143-W409 VanDerWaalsContact CE1-CZ3 3.42Å; H143-W409 WeakPolarHBondContact CE1-CZ3 3.35Å; H143-W409 AromaticContact NE2-CH2 3.5Å; H143-W409 WeakPolarHBondContact NE2-CH2 3.42Å; H143-W409 AromaticContact NE2-CZ3 3.94Å; E374-W409 VanDerWaalsContact CD-CE3 3.47Å; E374-W409 HydrophobicContact CG-CB 3.58Å; E374-W409 HydrophobicContact CG-CD2 4.18Å; E374-W409 HydrophobicContact CG-CE3 3.89Å; E374-W409 HydrophobicContact CG-CG 4.07Å; E374-W409 VanDerWaalsContact OE2-CE3 3.3Å; F375-W409 PolarHBondContact O-N 3.19Å
410	D	79.2	Confident	81.8	Confident	33 Å²	33	39.9 Å²	39.9	18%	0.176	20%	0.202	C	C	.	.			cis	-128.7	164.4	-0.3	82.4	18.1	0	0	0	114.1	Y412 E413 L414	D410-Y412 PolarHBondContact O-N 2.96Å; D410-Y412 WeakPolarHBondContact OD1-CA 3.44Å; D410-Y412 VanDerWaalsContact OD1-CB 3.29Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.19Å; D410-Y412 PolarHBondContact OD1-N 2.81Å; D410-E413 PolarHBondContact O-N 3.06Å; D410-E413 PolarHBondContact OD1-N 3.08Å; D410-L414 PolarHBondContact O-N 3.4Å
411	G	63.7	Low	80.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-22.8	-179.4	0	0	0	0	0	114	N70 L414 F415	N70-G411 WeakPolarHBondContact O-CA 3.15Å; N70-G411 PolarHBondContact O-N 2.92Å; G411-L414 PolarHBondContact O-N 2.98Å; G411-F415 WeakPolarHBondContact O-CB 3.35Å; G411-F415 WeakPolarHBondContact O-CD2 3.42Å; G411-F415 VanDerWaalsContact O-CG 3.23Å; G411-F415 WeakPolarHBondContact O-CG 3.47Å; G411-F415 PolarHBondContact O-N 3.41Å
412	Y	70	Confident	79.7	Confident	83 Å²	83	43.3 Å²	43.3	33%	0.325	23%	0.225	S	C	.	.	H	α-helix	trans	-66.3	-43.6	178.9	-70.6	-79.8	0	0	0	111.4	H73 I80 D410 S416	H73-Y412 WeakPolarHBondContact CB-OH 3.45Å; H73-Y412 PolarHBondContact CE1-OH 3.32Å; H73-Y412 AromaticContact ND1-CZ 3.63Å; H73-Y412 PolarHBondContact ND1-OH 2.82Å; I80-Y412 HydrophobicContact CD1-CE1 4.39Å; I80-Y412 HydrophobicContact CD1-CE2 4.25Å; I80-Y412 HydrophobicContact CG1-CE1 4.11Å; I80-Y412 HydrophobicContact CG1-CE2 4.4Å; I80-Y412 VanDerWaalsContact CG1-OH 3.25Å; I80-Y412 WeakPolarHBondContact CG1-OH 3.29Å; D410-Y412 PolarHBondContact O-N 2.96Å; D410-Y412 WeakPolarHBondContact OD1-CA 3.44Å; D410-Y412 VanDerWaalsContact OD1-CB 3.29Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.19Å; D410-Y412 PolarHBondContact OD1-N 2.81Å; Y412-S416 PolarHBondContact O-N 2.67Å; Y412-S416 PolarHBondContact O-OG 3.2Å
413	E	64.1	Low	78.7	Confident	82 Å²	82	46.6 Å²	46.6	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-45.8	174.9	-64.9	-173.3	167	0	0	110.6	Y408 D410 S416 N417	Y408-E413 PolarHBondContact OH-OE2 2.87Å; D410-E413 PolarHBondContact O-N 3.06Å; D410-E413 PolarHBondContact OD1-N 3.08Å; E413-S416 PolarHBondContact O-OG 2.94Å; E413-N417 WeakPolarHBondContact O-CB 3.19Å; E413-N417 VanDerWaalsContact O-CG 3.31Å; E413-N417 PolarHBondContact O-N 2.71Å; E413-N417 PolarHBondContact O-ND2 3.3Å
414	L	66.2	Low	77.9	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-71.6	-41.7	179.6	-71.9	176.4	0	0	0	112.8	I69 L379 Y408 D410 G411 S416 N417 L418 L425 F428	I69-L414 HydrophobicContact CB-CD1 4.47Å; I69-L414 HydrophobicContact CG2-CD1 3.37Å; L379-L414 HydrophobicContact CD1-CD2 4.46Å; Y408-L414 HydrophobicContact CD1-CD1 3.31Å; Y408-L414 HydrophobicContact CD1-CG 3.76Å; Y408-L414 HydrophobicContact CE1-CD1 3.93Å; Y408-L414 HydrophobicContact CE1-CD2 4.46Å; Y408-L414 HydrophobicContact CE1-CG 3.83Å; Y408-L414 HydrophobicContact CG-CD1 4.05Å; D410-L414 PolarHBondContact O-N 3.4Å; G411-L414 PolarHBondContact O-N 2.98Å; L414-S416 VanDerWaalsContact C-N 3.32Å; L414-S416 PolarHBondContact O-N 3.46Å; L414-N417 CarbonylContact O-C 3.5Å; L414-N417 WeakPolarHBondContact O-CA 3.15Å; L414-N417 PolarHBondContact O-N 3.32Å; L414-L418 WeakPolarHBondContact O-CD2 3.18Å; L414-L418 VanDerWaalsContact O-CG 3.25Å; L414-L418 WeakPolarHBondContact O-CG 3.37Å; L414-L418 PolarHBondContact O-N 3.32Å; L414-L425 HydrophobicContact CD2-CD2 3.72Å; L414-F428 HydrophobicContact CD2-CD2 4.24Å; L414-F428 HydrophobicContact CD2-CE2 4.2Å
415	F	71.1	Confident	77.2	Confident	16 Å²	16	47.2 Å²	47.2	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-37.9	-177.9	-81.5	-52.7	0	0	0	113.5	I69 I80 K82 L83 T88 L92 G411 N417 L418	I69-F415 HydrophobicContact CD1-CE1 4.09Å; I69-F415 HydrophobicContact CD1-CE2 3.88Å; I69-F415 HydrophobicContact CD1-CZ 3.54Å; I80-F415 HydrophobicContact CD1-CD2 4.36Å; I80-F415 HydrophobicContact CD1-CE2 3.96Å; I80-F415 HydrophobicContact CG2-CE2 4.47Å; K82-F415 HydrophobicContact CD-CD1 4.16Å; K82-F415 HydrophobicContact CD-CG 4.42Å; K82-F415 PolarHBondContact NZ-O 2.99Å; L83-F415 HydrophobicContact CD2-CE2 4.43Å; L83-F415 HydrophobicContact CD2-CZ 3.79Å; T88-F415 HydrophobicContact CG2-CE1 3.82Å; T88-F415 HydrophobicContact CG2-CZ 4.45Å; L92-F415 HydrophobicContact CD1-CE1 3.97Å; L92-F415 HydrophobicContact CD1-CZ 4.13Å; L92-F415 HydrophobicContact CD2-CE1 3.91Å; L92-F415 HydrophobicContact CG-CE1 4.21Å; G411-F415 WeakPolarHBondContact O-CB 3.35Å; G411-F415 WeakPolarHBondContact O-CD2 3.42Å; G411-F415 VanDerWaalsContact O-CG 3.23Å; G411-F415 WeakPolarHBondContact O-CG 3.47Å; G411-F415 PolarHBondContact O-N 3.41Å; F415-N417 VanDerWaalsContact C-N 3.27Å; F415-L418 HydrophobicContact CD1-CD1 3.66Å; F415-L418 HydrophobicContact CE1-CD1 4.25Å
416	S	66.3	Low	76.7	Confident	93 Å²	93	51.1 Å²	51.1	65%	0.65	26%	0.263	S	S	*	.	H	α-helix	trans	-71	-27.7	175.1	58.1	0	0	0	0	111.9	Y412 E413 L414	Y412-S416 PolarHBondContact O-N 2.67Å; Y412-S416 PolarHBondContact O-OG 3.2Å; E413-S416 PolarHBondContact O-OG 2.94Å; L414-S416 VanDerWaalsContact C-N 3.32Å; L414-S416 PolarHBondContact O-N 3.46Å
417	N	64.8	Low	76.3	Confident	35 Å²	35	51 Å²	51	19%	0.187	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3.1	-178.2	-73.4	-44.6	0	0	0	114.2	E413 L414 F415 N419 N422 L425	E413-N417 WeakPolarHBondContact O-CB 3.19Å; E413-N417 VanDerWaalsContact O-CG 3.31Å; E413-N417 PolarHBondContact O-N 2.71Å; E413-N417 PolarHBondContact O-ND2 3.3Å; L414-N417 CarbonylContact O-C 3.5Å; L414-N417 WeakPolarHBondContact O-CA 3.15Å; L414-N417 PolarHBondContact O-N 3.32Å; F415-N417 VanDerWaalsContact C-N 3.27Å; N417-N419 PolarHBondContact O-N 3.16Å; N417-N422 WeakPolarHBondContact CA-ND2 3.36Å; N417-N422 WeakPolarHBondContact CB-ND2 3.4Å; N417-N422 VanDerWaalsContact CG-ND2 3.25Å; N417-N422 WeakPolarHBondContact O-CB 3.24Å; N417-N422 PolarHBondContact O-ND2 3.09Å; N417-N422 PolarHBondContact OD1-ND2 3.01Å; N417-L425 VanDerWaalsContact O-CD1 3.31Å; N417-L425 WeakPolarHBondContact O-CD1 3.08Å
418	L	66.4	Low	76	Confident	38 Å²	38	52.3 Å²	52.3	20%	0.199	27%	0.269	C	S	.	.			trans	-68.9	59.1	-178.9	-61.6	-178.9	0	0	0	113.5	V91 L92 W95 L414 F415	V91-L418 HydrophobicContact CG1-CD1 4.27Å; L92-L418 HydrophobicContact CD2-CD1 4.21Å; W95-L418 HydrophobicContact CD2-CD2 4.11Å; W95-L418 HydrophobicContact CE3-CD2 3.37Å; W95-L418 HydrophobicContact CH2-CB 3.75Å; W95-L418 HydrophobicContact CH2-CD2 3.79Å; W95-L418 HydrophobicContact CH2-CG 4.34Å; W95-L418 HydrophobicContact CZ2-CB 4.03Å; W95-L418 HydrophobicContact CZ2-CD2 4.42Å; W95-L418 HydrophobicContact CZ3-CB 4.08Å; W95-L418 HydrophobicContact CZ3-CD2 3.15Å; W95-L418 HydrophobicContact CZ3-CG 4.16Å; L414-L418 WeakPolarHBondContact O-CD2 3.18Å; L414-L418 VanDerWaalsContact O-CG 3.25Å; L414-L418 WeakPolarHBondContact O-CG 3.37Å; L414-L418 PolarHBondContact O-N 3.32Å; F415-L418 HydrophobicContact CD1-CD1 3.66Å; F415-L418 HydrophobicContact CE1-CD1 4.25Å
419	N	72.2	Confident	75.7	Confident	88 Å²	88	56.5 Å²	56.5	47%	0.471	30%	0.298	S	S	.	.			trans	-118.3	132.9	166.5	179.9	-1	0	0	0	108	N417 E421 N422 L425	N417-N419 PolarHBondContact O-N 3.16Å; N419-E421 PolarHBondContact O-N 3.15Å; N419-E421 VanDerWaalsContact O-N 3.14Å; N419-E421 PolarHBondContact OD1-N 2.95Å; N419-E421 VanDerWaalsContact OD1-N 3.12Å; N419-N422 HydrophobicContact CB-CB 4.39Å; N419-N422 VanDerWaalsContact O-CB 3.24Å; N419-N422 WeakPolarHBondContact O-CB 3.22Å; N419-N422 PolarHBondContact O-N 2.95Å; N419-L425 WeakPolarHBondContact O-CD1 3.29Å
420	V	66.7	Low	75.6	Confident	127 Å²	127	55.3 Å²	55.3	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	179.7	-177.9	0	0	0	0	112.2	W95 N422	W95-V420 HydrophobicContact CZ2-CG2 4.27Å; V420-N422 VanDerWaalsContact C-N 3.27Å; V420-N422 PolarHBondContact O-N 3.1Å
421	E	70.6	Confident	76.4	Confident	172 Å²	172	57.4 Å²	57.4	80%	0.804	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.2	177.6	-62.6	-177.2	168.1	0	0	113.8	N419 I423	N419-E421 PolarHBondContact O-N 3.15Å; N419-E421 VanDerWaalsContact O-N 3.14Å; N419-E421 PolarHBondContact OD1-N 2.95Å; N419-E421 VanDerWaalsContact OD1-N 3.12Å; E421-I423 PolarHBondContact O-N 3.1Å
422	N	77.4	Confident	78	Confident	38 Å²	38	58.6 Å²	58.6	20%	0.203	31%	0.312	C	S	.	.			trans	-81.6	112.2	-175.8	-165	-18	0	0	0	111.9	N417 N419 V420 S424 L425	N417-N422 WeakPolarHBondContact CA-ND2 3.36Å; N417-N422 WeakPolarHBondContact CB-ND2 3.4Å; N417-N422 VanDerWaalsContact CG-ND2 3.25Å; N417-N422 WeakPolarHBondContact O-CB 3.24Å; N417-N422 PolarHBondContact O-ND2 3.09Å; N417-N422 PolarHBondContact OD1-ND2 3.01Å; N419-N422 HydrophobicContact CB-CB 4.39Å; N419-N422 VanDerWaalsContact O-CB 3.24Å; N419-N422 WeakPolarHBondContact O-CB 3.22Å; N419-N422 PolarHBondContact O-N 2.95Å; V420-N422 VanDerWaalsContact C-N 3.27Å; V420-N422 PolarHBondContact O-N 3.1Å; N422-S424 PolarHBondContact O-N 3.11Å; N422-S424 VanDerWaalsContact O-N 3.08Å; N422-S424 WeakPolarHBondContact OD1-CB 3.34Å; N422-S424 PolarHBondContact OD1-N 2.86Å; N422-S424 PolarHBondContact OD1-OG 3.38Å; N422-L425 HydrophobicContact CB-CD1 3.98Å; N422-L425 HydrophobicContact CB-CG 4.31Å; N422-L425 WeakPolarHBondContact O-CB 3.35Å; N422-L425 PolarHBondContact O-N 2.73Å
423	I	77.1	Confident	79.3	Confident	90 Å²	90	55.5 Å²	55.5	46%	0.462	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.3	178.4	-167.5	60.2	0	0	0	113	E421 L425 K426	E421-I423 PolarHBondContact O-N 3.1Å; I423-L425 PolarHBondContact O-N 3.27Å; I423-K426 HydrophobicContact CD1-CB 4.31Å; I423-K426 HydrophobicContact CD1-CD 4.19Å; I423-K426 WeakPolarHBondContact O-CB 3.4Å; I423-K426 PolarHBondContact O-N 3.06Å; I423-K426 VanDerWaalsContact O-N 3.08Å
424	S	79.7	Confident	80.8	Confident	16 Å²	16	55 Å²	55	11%	0.112	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62.3	-13.8	177.9	-60.4	0	0	0	0	114.5	P380 N422	P380-S424 WeakPolarHBondContact CD-O 3.25Å; P380-S424 WeakPolarHBondContact CG-O 3.41Å; P380-S424 WeakPolarHBondContact O-CA 3.41Å; P380-S424 WeakPolarHBondContact O-CB 3.35Å; P380-S424 PolarHBondContact O-OG 3.49Å; N422-S424 PolarHBondContact O-N 3.11Å; N422-S424 VanDerWaalsContact O-N 3.08Å; N422-S424 WeakPolarHBondContact OD1-CB 3.34Å; N422-S424 PolarHBondContact OD1-N 2.86Å; N422-S424 PolarHBondContact OD1-OG 3.38Å
425	L	82.6	Confident	82.2	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.079	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-96.7	-7.4	179.9	-58.6	167.8	0	0	0	113.6	W95 L414 N417 N419 N422 I423 S427 F428 S429	W95-L425 HydrophobicContact CE3-CD1 4.38Å; W95-L425 HydrophobicContact CH2-CD1 3.16Å; W95-L425 HydrophobicContact CH2-CG 4.42Å; W95-L425 HydrophobicContact CZ2-CD1 4.43Å; W95-L425 HydrophobicContact CZ3-CD1 3.15Å; W95-L425 HydrophobicContact CZ3-CD2 3.82Å; W95-L425 HydrophobicContact CZ3-CG 4.02Å; L414-L425 HydrophobicContact CD2-CD2 3.72Å; N417-L425 VanDerWaalsContact O-CD1 3.31Å; N417-L425 WeakPolarHBondContact O-CD1 3.08Å; N419-L425 WeakPolarHBondContact O-CD1 3.29Å; N422-L425 HydrophobicContact CB-CD1 3.98Å; N422-L425 HydrophobicContact CB-CG 4.31Å; N422-L425 WeakPolarHBondContact O-CB 3.35Å; N422-L425 PolarHBondContact O-N 2.73Å; I423-L425 PolarHBondContact O-N 3.27Å; L425-S427 VanDerWaalsContact C-N 3.26Å; L425-S427 PolarHBondContact O-N 3.34Å; L425-F428 CarbonylContact O-C 3.36Å; L425-F428 PolarHBondContact O-N 2.76Å; L425-S429 PolarHBondContact O-N 3.21Å
426	K	87.6	Confident	83.5	Confident	87 Å²	87	56.3 Å²	56.3	38%	0.378	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-44.3	-173	-170.2	-172.8	179.7	-164.9	0	111.5	I423 F428 S429 V447 D448	I423-K426 HydrophobicContact CD1-CB 4.31Å; I423-K426 HydrophobicContact CD1-CD 4.19Å; I423-K426 WeakPolarHBondContact O-CB 3.4Å; I423-K426 PolarHBondContact O-N 3.06Å; I423-K426 VanDerWaalsContact O-N 3.08Å; K426-F428 VanDerWaalsContact C-N 3.3Å; K426-F428 PolarHBondContact O-N 3.29Å; K426-S429 PolarHBondContact O-N 2.98Å; K426-V447 VanDerWaalsContact CE-O 3.24Å; K426-V447 WeakPolarHBondContact CE-O 3.32Å; K426-V447 HydrophobicContact CG-CG2 4.06Å; K426-V447 WeakPolarHBondContact O-CG2 3.28Å; K426-D448 IonicContact NZ-OD1 3.64Å; K426-D448 PolarHBondContact NZ-OD1 3.12Å
427	S	90.5	Very high	84.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.2	179	-60.6	0	0	0	0	113.5	P380 N393 L396 L425 R430	P380-S427 WeakPolarHBondContact CG-OG 3.34Å; N393-S427 VanDerWaalsContact OD1-CB 3.22Å; N393-S427 WeakPolarHBondContact OD1-CB 3.46Å; N393-S427 PolarHBondContact OD1-OG 3.38Å; L396-S427 WeakPolarHBondContact CD1-O 3.42Å; L425-S427 VanDerWaalsContact C-N 3.26Å; L425-S427 PolarHBondContact O-N 3.34Å; S427-R430 VanDerWaalsContact O-CD 3.28Å; S427-R430 WeakPolarHBondContact O-CD 3.36Å; S427-R430 WeakPolarHBondContact O-CG 3.38Å; S427-R430 PolarHBondContact O-NH1 3.31Å
428	F	90.2	Very high	86.2	Confident	29 Å²	29	51.8 Å²	51.8	13%	0.127	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.1	-178.3	-58.3	-81.1	0	0	0	113.2	F375 L379 P380 L396 W406 Y408 L414 L425 K426 R430	F375-F428 HydrophobicContact CE2-CE1 4.31Å; F375-F428 HydrophobicContact CZ-CE1 4.14Å; L379-F428 HydrophobicContact CD1-CE2 4.45Å; P380-F428 HydrophobicContact CG-CE2 4.37Å; L396-F428 HydrophobicContact CD1-CD1 3.86Å; L396-F428 HydrophobicContact CD1-CE1 4.09Å; L396-F428 HydrophobicContact CD1-CG 4.36Å; W406-F428 HydrophobicContact CH2-CD1 4.24Å; W406-F428 HydrophobicContact CZ3-CD1 4.46Å; Y408-F428 HydrophobicContact CD1-CZ 4.45Å; Y408-F428 AromaticContact CD2-CE1 3.54Å; Y408-F428 HydrophobicContact CD2-CE1 3.54Å; Y408-F428 AromaticContact CD2-CZ 3.56Å; Y408-F428 HydrophobicContact CD2-CZ 3.56Å; Y408-F428 HydrophobicContact CE1-CZ 4.47Å; Y408-F428 HydrophobicContact CE2-CE1 4.07Å; Y408-F428 AromaticContact CE2-CZ 3.57Å; Y408-F428 HydrophobicContact CE2-CZ 3.57Å; Y408-F428 AromaticContact CG-CE1 3.77Å; Y408-F428 HydrophobicContact CG-CE1 3.77Å; Y408-F428 HydrophobicContact CG-CZ 4Å; L414-F428 HydrophobicContact CD2-CD2 4.24Å; L414-F428 HydrophobicContact CD2-CE2 4.2Å; L425-F428 CarbonylContact O-C 3.36Å; L425-F428 PolarHBondContact O-N 2.76Å; K426-F428 VanDerWaalsContact C-N 3.3Å; K426-F428 PolarHBondContact O-N 3.29Å; F428-R430 VanDerWaalsContact C-N 3.26Å; F428-R430 PolarHBondContact O-N 3.24Å
429	S	89.5	Confident	87.5	Confident	87 Å²	87	53.5 Å²	53.5	61%	0.608	29%	0.291	S	S	*	.			trans	-75.8	74.6	178	-167.5	0	0	0	0	111.1	L425 K426 F445	L425-S429 PolarHBondContact O-N 3.21Å; K426-S429 PolarHBondContact O-N 2.98Å; S429-F445 WeakPolarHBondContact O-CE1 3.21Å; S429-F445 VanDerWaalsContact O-CZ 3.23Å; S429-F445 WeakPolarHBondContact O-CZ 3.46Å
430	R	92.7	Very high	88.6	Confident	17 Å²	17	50 Å²	50	6%	0.064	27%	0.274	C	S	.	.			trans	-116.8	132.3	-174.2	-48.1	178.6	80.1	82.7	-0.3	110.4	N397 D400 S427 F428 F445	N397-R430 PolarHBondContact OD1-NH2 2.99Å; D400-R430 IonicContact OD1-NE 2.72Å; D400-R430 IonicContact OD2-CZ 3.75Å; D400-R430 IonicContact OD2-NE 2.95Å; D400-R430 PolarHBondContact OD2-NE 2.89Å; D400-R430 IonicContact OD2-NH2 3.74Å; D400-R430 PolarHBondContact OD2-NH2 3.23Å; S427-R430 VanDerWaalsContact O-CD 3.28Å; S427-R430 WeakPolarHBondContact O-CD 3.36Å; S427-R430 WeakPolarHBondContact O-CG 3.38Å; S427-R430 PolarHBondContact O-NH1 3.31Å; F428-R430 VanDerWaalsContact C-N 3.26Å; F428-R430 PolarHBondContact O-N 3.24Å; R430-F445 HydrophobicContact CB-CD1 3.74Å; R430-F445 HydrophobicContact CB-CE1 3.94Å; R430-F445 HydrophobicContact CB-CG 4.03Å; R430-F445 HydrophobicContact CB-CZ 4.43Å; R430-F445 HydrophobicContact CG-CD1 3.71Å; R430-F445 HydrophobicContact CG-CE1 3.83Å; R430-F445 HydrophobicContact CG-CG 4.45Å; R430-F445 PolarHBondContact NH2-O 2.85Å
431	T	95.2	Very high	90.1	Very high	78 Å²	78	48.7 Å²	48.7	48%	0.479	27%	0.265	S	S	.	.			trans	-74.3	132.1	168.3	-59	0	0	0	0	109.1	F452	T431-F452 HydrophobicContact CG2-CB 4.2Å; T431-F452 HydrophobicContact CG2-CD1 3.49Å; T431-F452 VanDerWaalsContact CG2-CD1 3.49Å; T431-F452 HydrophobicContact CG2-CD2 4.18Å; T431-F452 HydrophobicContact CG2-CE1 3.77Å; T431-F452 HydrophobicContact CG2-CE2 4.43Å; T431-F452 HydrophobicContact CG2-CG 3.69Å; T431-F452 HydrophobicContact CG2-CZ 4.22Å; T431-F452 WeakPolarHBondContact O-CD2 3.17Å; T431-F452 WeakPolarHBondContact O-CE2 3.35Å
432	Y	97.2	Very high	91.3	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.102	25%	0.25	C	C	.	.			trans	-150.9	154.3	178.5	76.1	-81.8	0	0	0	111.7	L65 H67 G96 N98 Q434	L65-Y432 HydrophobicContact CB-CD2 4.34Å; L65-Y432 HydrophobicContact CD2-CD2 3.93Å; L65-Y432 HydrophobicContact CG-CD2 4.15Å; L65-Y432 HydrophobicContact CG-CE2 4.5Å; H67-Y432 HydrophobicContact CB-CE1 4.15Å; H67-Y432 HydrophobicContact CB-CE2 4.26Å; H67-Y432 AromaticContact CE1-CD1 3.84Å; H67-Y432 AromaticContact CE1-CD2 3.5Å; H67-Y432 AromaticContact CE1-CE2 3.96Å; H67-Y432 AromaticContact CE1-CG 3.42Å; H67-Y432 VanDerWaalsContact CE1-CG 3.42Å; H67-Y432 AromaticContact CG-CE2 3.79Å; H67-Y432 AromaticContact CG-CZ 3.74Å; H67-Y432 AromaticContact ND1-CD1 3.3Å; H67-Y432 VanDerWaalsContact ND1-CD1 3.3Å; H67-Y432 WeakPolarHBondContact ND1-CD1 3.42Å; H67-Y432 AromaticContact ND1-CD2 3.45Å; H67-Y432 WeakPolarHBondContact ND1-CD2 3.43Å; H67-Y432 AromaticContact ND1-CE1 3.38Å; H67-Y432 WeakPolarHBondContact ND1-CE1 3.45Å; H67-Y432 AromaticContact ND1-CE2 3.51Å; H67-Y432 AromaticContact ND1-CG 3.33Å; H67-Y432 VanDerWaalsContact ND1-CG 3.33Å; H67-Y432 AromaticContact ND1-CZ 3.48Å; G96-Y432 WeakPolarHBondContact O-CE1 3.44Å; G96-Y432 PolarHBondContact O-OH 3.06Å; N98-Y432 PolarHBondContact ND2-OH 3.05Å; Y432-Q434 HydrophobicContact CD2-CG 4.14Å; Y432-Q434 HydrophobicContact CE1-CG 4.25Å; Y432-Q434 HydrophobicContact CE2-CB 4.29Å; Y432-Q434 HydrophobicContact CE2-CG 3.4Å; Y432-Q434 VanDerWaalsContact CZ-CG 3.46Å; Y432-Q434 PolarHBondContact O-N 3.32Å; Y432-Q434 WeakPolarHBondContact OH-CG 3.06Å; Y432-Q434 PolarHBondContact OH-NE2 2.96Å
433	P	96.9	Very high	92.3	Very high	17 Å²	17	44 Å²	44	11%	0.11	24%	0.242	C	C	.	.			trans	-84.3	99.3	-179.5	33.7	-30.4	0	0	0	110.7	F403 S435 L443 Y454	F403-P433 HydrophobicContact CE2-CG 4.07Å; P433-S435 PolarHBondContact O-N 2.84Å; P433-L443 VanDerWaalsContact CD-CD1 3.42Å; P433-L443 HydrophobicContact CG-CD1 3.94Å; P433-Y454 HydrophobicContact CB-CD1 3.98Å; P433-Y454 HydrophobicContact CB-CE1 3.73Å; P433-Y454 HydrophobicContact CB-CE2 4.45Å; P433-Y454 HydrophobicContact CB-CG 4.43Å; P433-Y454 HydrophobicContact CG-CD1 3.99Å; P433-Y454 HydrophobicContact CG-CD2 3.77Å; P433-Y454 HydrophobicContact CG-CE1 3.78Å; P433-Y454 HydrophobicContact CG-CE2 3.58Å; P433-Y454 HydrophobicContact CG-CG 3.99Å
434	Q	96.3	Very high	93.2	Very high	73 Å²	73	46.2 Å²	46.2	34%	0.341	25%	0.245	S	C	.	.	S	Bend	trans	-64.3	-21.2	177.8	-69.4	-174.2	18	0	0	114.2	K64 Y432	K64-Q434 WeakPolarHBondContact CE-O 3.22Å; K64-Q434 PolarHBondContact NZ-O 3.5Å; Y432-Q434 HydrophobicContact CD2-CG 4.14Å; Y432-Q434 HydrophobicContact CE1-CG 4.25Å; Y432-Q434 HydrophobicContact CE2-CB 4.29Å; Y432-Q434 HydrophobicContact CE2-CG 3.4Å; Y432-Q434 VanDerWaalsContact CZ-CG 3.46Å; Y432-Q434 PolarHBondContact O-N 3.32Å; Y432-Q434 WeakPolarHBondContact OH-CG 3.06Å; Y432-Q434 PolarHBondContact OH-NE2 2.96Å
435	S	96.2	Very high	94	Very high	50 Å²	50	46.2 Å²	46.2	35%	0.35	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	136.6	179.3	-127.6	0	0	0	0	109.3	I63 K64 P433	I63-S435 CarbonylContact O-C 3.54Å; I63-S435 VanDerWaalsContact O-CA 3.29Å; I63-S435 WeakPolarHBondContact O-CA 3.33Å; K64-S435 WeakPolarHBondContact CD-OG 3.1Å; K64-S435 PolarHBondContact NZ-OG 3.23Å; P433-S435 PolarHBondContact O-N 2.84Å
436	T	96.8	Very high	94.6	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.9	178.4	-54.6	0	0	0	0	111.1	F62 I63 G438 Y454 F456	F62-T436 CarbonylContact C-O 3.59Å; F62-T436 WeakPolarHBondContact CA-O 3.15Å; I63-T436 PolarHBondContact N-O 2.77Å; I63-T436 PolarHBondContact O-N 3.22Å; T436-G438 VanDerWaalsContact CG2-O 3.31Å; T436-G438 WeakPolarHBondContact CG2-O 3.47Å; T436-G438 PolarHBondContact O-N 3.39Å; T436-Y454 WeakPolarHBondContact CB-OH 3.37Å; T436-Y454 HydrophobicContact CG2-CE1 4.03Å; T436-Y454 WeakPolarHBondContact CG2-OH 3.11Å; T436-Y454 PolarHBondContact OG1-OH 3.25Å; T436-F456 HydrophobicContact CG2-CB 3.8Å; T436-F456 HydrophobicContact CG2-CD1 4.21Å; T436-F456 HydrophobicContact CG2-CD2 3.6Å; T436-F456 HydrophobicContact CG2-CE2 4.19Å; T436-F456 HydrophobicContact CG2-CG 3.61Å
437	A	94.6	Very high	94.9	Very high	31 Å²	31	44.2 Å²	44.2	26%	0.256	24%	0.237	S	C	.	.	S	Bend	trans	-82.9	56	172.7	0	0	0	0	0	111.3	F62 T459	F62-A437 HydrophobicContact CD1-CB 3.7Å; F62-A437 HydrophobicContact CE1-CB 3.48Å; F62-A437 VanDerWaalsContact CE1-CB 3.48Å; F62-A437 HydrophobicContact CG-CB 4.43Å; F62-A437 HydrophobicContact CZ-CB 4.02Å; A437-T459 PolarHBondContact O-N 3Å
438	G	93.6	Very high	94.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	171.3	-172	0	0	0	0	0	112.9	I63 T436 P440 V457 T459	I63-G438 WeakPolarHBondContact CD1-O 3.14Å; T436-G438 VanDerWaalsContact CG2-O 3.31Å; T436-G438 WeakPolarHBondContact CG2-O 3.47Å; T436-G438 PolarHBondContact O-N 3.39Å; G438-P440 WeakPolarHBondContact O-CD 3.46Å; G438-V457 CarbonylContact C-O 3.37Å; G438-V457 WeakPolarHBondContact CA-O 2.95Å; G438-T459 WeakPolarHBondContact CA-OG1 3.39Å
439	Q	94.3	Very high	95.1	Very high	74 Å²	74	52 Å²	52	35%	0.346	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119	-177.5	-67.4	-63.9	-19.2	0	0	110.9	V441 F456 V457	Q439-V441 PolarHBondContact O-N 2.7Å; Q439-F456 CarbonylContact O-C 3.47Å; Q439-F456 WeakPolarHBondContact O-CA 3.27Å; Q439-F456 WeakPolarHBondContact O-CB 3.28Å; Q439-V457 PolarHBondContact N-O 3.05Å; Q439-V457 PolarHBondContact O-N 3.22Å
440	P	96.1	Very high	95.3	Very high	16 Å²	16	50 Å²	50	10%	0.104	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	134.6	174.4	-21.5	31.3	0	0	0	111.3	Y55 I63 F403 G438 Y454	Y55-P440 HydrophobicContact CE2-CG 4.38Å; I63-P440 HydrophobicContact CD1-CG 4.41Å; I63-P440 HydrophobicContact CG2-CG 4.01Å; F403-P440 HydrophobicContact CD1-CB 4.33Å; F403-P440 HydrophobicContact CD1-CG 3.97Å; F403-P440 HydrophobicContact CD2-CB 3.79Å; F403-P440 HydrophobicContact CD2-CG 4.09Å; F403-P440 HydrophobicContact CE1-CB 4.32Å; F403-P440 HydrophobicContact CE1-CG 3.58Å; F403-P440 HydrophobicContact CE2-CB 3.75Å; F403-P440 HydrophobicContact CE2-CG 3.69Å; F403-P440 HydrophobicContact CG-CB 4.08Å; F403-P440 HydrophobicContact CG-CG 4.22Å; F403-P440 HydrophobicContact CZ-CB 4.03Å; F403-P440 HydrophobicContact CZ-CG 3.42Å; F403-P440 VanDerWaalsContact CZ-CG 3.42Å; G438-P440 WeakPolarHBondContact O-CD 3.46Å; P440-Y454 HydrophobicContact CB-CE2 4.24Å
441	V	96.3	Very high	95.5	Very high	98 Å²	98	53.2 Å²	53.2	59%	0.594	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	-44.9	176	176.6	0	0	0	0	110.3	Q439 A455 V457	Q439-V441 PolarHBondContact O-N 2.7Å; V441-A455 HydrophobicContact CB-CB 4.33Å; V441-A455 WeakPolarHBondContact CB-O 3.41Å; V441-A455 PolarHBondContact N-O 2.85Å; V441-V457 HydrophobicContact CG2-CG2 3.69Å
442	Q	96.8	Very high	95.6	Very high	102 Å²	102	52.9 Å²	52.9	48%	0.477	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	136.4	-176.3	-171.5	173	13	0	0	110.4	Y453 Y454 A455	Q442-Y453 HydrophobicContact CB-CE1 4.16Å; Q442-Y453 HydrophobicContact CG-CD1 4.24Å; Q442-Y453 HydrophobicContact CG-CE1 4.11Å; Q442-Y454 WeakPolarHBondContact O-CA 3.35Å; Q442-Y454 WeakPolarHBondContact O-CD2 3.48Å; Q442-A455 HydrophobicContact CB-CB 4.38Å; Q442-A455 PolarHBondContact N-O 2.86Å; Q442-A455 VanDerWaalsContact N-O 3.16Å; Q442-A455 PolarHBondContact O-N 3.13Å
443	L	97.6	Very high	95.7	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.047	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.2	171.2	-172.5	163.4	0	0	0	107.8	L65 D400 F403 P433 F452 Y454	L65-L443 HydrophobicContact CD2-CD1 3.74Å; D400-L443 HydrophobicContact CB-CD2 3.4Å; D400-L443 WeakPolarHBondContact OD1-CD2 3.05Å; F403-L443 HydrophobicContact CD2-CB 4.39Å; F403-L443 HydrophobicContact CD2-CD1 3.84Å; F403-L443 HydrophobicContact CE2-CD1 3.99Å; P433-L443 VanDerWaalsContact CD-CD1 3.42Å; P433-L443 HydrophobicContact CG-CD1 3.94Å; L443-F452 HydrophobicContact CG-CE2 4.34Å; L443-Y454 HydrophobicContact CB-CD2 4.07Å; L443-Y454 HydrophobicContact CB-CE2 4.49Å; L443-Y454 HydrophobicContact CD1-CD2 4.47Å; L443-Y454 HydrophobicContact CG-CD2 4.3Å
444	R	96.4	Very high	95.7	Very high	138 Å²	138	58.7 Å²	58.7	52%	0.521	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.2	172.9	176.2	-175.6	149.8	150.9	1.6	109.3	D446 Y453	R444-D446 IonicContact NH2-OD2 3.4Å; R444-D446 PolarHBondContact NH2-OD2 3.21Å; R444-Y453 PolarHBondContact N-O 3.09Å; R444-Y453 PolarHBondContact O-N 3.38Å
445	F	97	Very high	95.8	Very high	15 Å²	15	56.3 Å²	56.3	7%	0.066	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.3	167	-177.9	-100.1	0	0	0	109.3	D400 S429 R430 V447 F452	D400-F445 WeakPolarHBondContact OD2-CB 3.42Å; S429-F445 WeakPolarHBondContact O-CE1 3.21Å; S429-F445 VanDerWaalsContact O-CZ 3.23Å; S429-F445 WeakPolarHBondContact O-CZ 3.46Å; R430-F445 HydrophobicContact CB-CD1 3.74Å; R430-F445 HydrophobicContact CB-CE1 3.94Å; R430-F445 HydrophobicContact CB-CG 4.03Å; R430-F445 HydrophobicContact CB-CZ 4.43Å; R430-F445 HydrophobicContact CG-CD1 3.71Å; R430-F445 HydrophobicContact CG-CE1 3.83Å; R430-F445 HydrophobicContact CG-CG 4.45Å; R430-F445 PolarHBondContact NH2-O 2.85Å; F445-V447 HydrophobicContact CE1-CB 4.31Å; F445-F452 HydrophobicContact CD2-CB 4.08Å; F445-F452 HydrophobicContact CD2-CD2 4.45Å
446	D	95.8	Very high	95.8	Very high	45 Å²	45	58.3 Å²	58.3	24%	0.241	31%	0.308	C	S	.	.			trans	-106.5	110.7	175.6	-173.8	-71.3	0	0	0	108.7	R444 D448 S449 G450 V451	R444-D446 IonicContact NH2-OD2 3.4Å; R444-D446 PolarHBondContact NH2-OD2 3.21Å; D446-D448 VanDerWaalsContact C-N 3.26Å; D446-D448 PolarHBondContact O-N 3.29Å; D446-D448 PolarHBondContact OD1-N 3.01Å; D446-S449 VanDerWaalsContact CB-OG 3.29Å; D446-S449 WeakPolarHBondContact CB-OG 3.31Å; D446-S449 WeakPolarHBondContact OD1-CB 3.31Å; D446-S449 PolarHBondContact OD1-N 3.19Å; D446-S449 PolarHBondContact OD1-OG 2.9Å; D446-G450 VanDerWaalsContact O-CA 3.24Å; D446-G450 WeakPolarHBondContact O-CA 3.5Å; D446-G450 PolarHBondContact O-N 2.94Å; D446-V451 HydrophobicContact CB-CB 4.41Å; D446-V451 PolarHBondContact N-O 3.09Å
447	V	92.6	Very high	95.8	Very high	16 Å²	16	62.1 Å²	62.1	10%	0.097	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.3	-171.7	67.1	0	0	0	0	113.5	K426 F445	K426-V447 VanDerWaalsContact CE-O 3.24Å; K426-V447 WeakPolarHBondContact CE-O 3.32Å; K426-V447 HydrophobicContact CG-CG2 4.06Å; K426-V447 WeakPolarHBondContact O-CG2 3.28Å; F445-V447 HydrophobicContact CE1-CB 4.31Å
448	D	91.3	Very high	95.7	Very high	121 Å²	121	64.8 Å²	64.8	65%	0.647	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-40.6	-175.7	-69	-42.9	0	0	0	112.3	K426 D446	K426-D448 IonicContact NZ-OD1 3.64Å; K426-D448 PolarHBondContact NZ-OD1 3.12Å; D446-D448 VanDerWaalsContact C-N 3.26Å; D446-D448 PolarHBondContact O-N 3.29Å; D446-D448 PolarHBondContact OD1-N 3.01Å
449	S	94.8	Very high	95.2	Very high	74 Å²	74	67.9 Å²	67.9	52%	0.517	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.8	177.7	62.7	0	0	0	0	114	D446 V451	D446-S449 VanDerWaalsContact CB-OG 3.29Å; D446-S449 WeakPolarHBondContact CB-OG 3.31Å; D446-S449 WeakPolarHBondContact OD1-CB 3.31Å; D446-S449 PolarHBondContact OD1-N 3.19Å; D446-S449 PolarHBondContact OD1-OG 2.9Å; S449-V451 PolarHBondContact O-N 2.85Å; S449-V451 WeakPolarHBondContact OG-CG2 3.47Å; S449-V451 PolarHBondContact OG-N 2.82Å
450	G	93.2	Very high	93.8	Very high	43 Å²	43	73.7 Å²	73.7	44%	0.443	39%	0.392	S	S	.	.			trans	71.3	7.6	-171.2	0	0	0	0	0	113.9	D446 F452	D446-G450 VanDerWaalsContact O-CA 3.24Å; D446-G450 WeakPolarHBondContact O-CA 3.5Å; D446-G450 PolarHBondContact O-N 2.94Å; G450-F452 PolarHBondContact O-N 3.45Å
451	V	97.1	Very high	91.9	Very high	85 Å²	85	81.5 Å²	81.5	52%	0.515	42%	0.424	S	S	.	.			trans	-70	120.2	-179.2	174.6	0	0	0	0	109.8	D446 S449	D446-V451 HydrophobicContact CB-CB 4.41Å; D446-V451 PolarHBondContact N-O 3.09Å; S449-V451 PolarHBondContact O-N 2.85Å; S449-V451 WeakPolarHBondContact OG-CG2 3.47Å; S449-V451 PolarHBondContact OG-N 2.82Å
452	F	97.6	Very high	89.7	Confident	72 Å²	72	83.3 Å²	83.3	32%	0.316	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.3	174.6	173.5	-118.5	0	0	0	110.7	T431 L443 F445 G450 Y454	T431-F452 HydrophobicContact CG2-CB 4.2Å; T431-F452 HydrophobicContact CG2-CD1 3.49Å; T431-F452 VanDerWaalsContact CG2-CD1 3.49Å; T431-F452 HydrophobicContact CG2-CD2 4.18Å; T431-F452 HydrophobicContact CG2-CE1 3.77Å; T431-F452 HydrophobicContact CG2-CE2 4.43Å; T431-F452 HydrophobicContact CG2-CG 3.69Å; T431-F452 HydrophobicContact CG2-CZ 4.22Å; T431-F452 WeakPolarHBondContact O-CD2 3.17Å; T431-F452 WeakPolarHBondContact O-CE2 3.35Å; L443-F452 HydrophobicContact CG-CE2 4.34Å; F445-F452 HydrophobicContact CD2-CB 4.08Å; F445-F452 HydrophobicContact CD2-CD2 4.45Å; G450-F452 PolarHBondContact O-N 3.45Å; F452-Y454 VanDerWaalsContact CZ-CB 3.42Å; F452-Y454 HydrophobicContact CZ-CG 4.15Å
453	Y	97.8	Very high	87	Confident	120 Å²	120	84 Å²	84	47%	0.471	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.8	172.4	178.9	-88.6	0	0	0	110	Q442 R444 A455	Q442-Y453 HydrophobicContact CB-CE1 4.16Å; Q442-Y453 HydrophobicContact CG-CD1 4.24Å; Q442-Y453 HydrophobicContact CG-CE1 4.11Å; R444-Y453 PolarHBondContact N-O 3.09Å; R444-Y453 PolarHBondContact O-N 3.38Å; Y453-A455 HydrophobicContact CE1-CB 3.94Å
454	Y	98.2	Very high	84.1	Confident	45 Å²	45	92.2 Å²	92.2	18%	0.176	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.9	175.7	-177.2	-120.7	0	0	0	111.4	F403 P433 T436 P440 Q442 L443 F452 F456	F403-Y454 HydrophobicContact CE2-CE2 4.04Å; P433-Y454 HydrophobicContact CB-CD1 3.98Å; P433-Y454 HydrophobicContact CB-CE1 3.73Å; P433-Y454 HydrophobicContact CB-CE2 4.45Å; P433-Y454 HydrophobicContact CB-CG 4.43Å; P433-Y454 HydrophobicContact CG-CD1 3.99Å; P433-Y454 HydrophobicContact CG-CD2 3.77Å; P433-Y454 HydrophobicContact CG-CE1 3.78Å; P433-Y454 HydrophobicContact CG-CE2 3.58Å; P433-Y454 HydrophobicContact CG-CG 3.99Å; T436-Y454 WeakPolarHBondContact CB-OH 3.37Å; T436-Y454 HydrophobicContact CG2-CE1 4.03Å; T436-Y454 WeakPolarHBondContact CG2-OH 3.11Å; T436-Y454 PolarHBondContact OG1-OH 3.25Å; P440-Y454 HydrophobicContact CB-CE2 4.24Å; Q442-Y454 WeakPolarHBondContact O-CA 3.35Å; Q442-Y454 WeakPolarHBondContact O-CD2 3.48Å; L443-Y454 HydrophobicContact CB-CD2 4.07Å; L443-Y454 HydrophobicContact CB-CE2 4.49Å; L443-Y454 HydrophobicContact CD1-CD2 4.47Å; L443-Y454 HydrophobicContact CG-CD2 4.3Å; F452-Y454 VanDerWaalsContact CZ-CB 3.42Å; F452-Y454 HydrophobicContact CZ-CG 4.15Å; Y454-F456 AromaticContact CD1-CD1 3.81Å; Y454-F456 HydrophobicContact CD1-CD1 3.81Å; Y454-F456 HydrophobicContact CD1-CE1 4.39Å; Y454-F456 HydrophobicContact CE1-CB 4Å; Y454-F456 AromaticContact CE1-CD1 3.37Å; Y454-F456 HydrophobicContact CE1-CD1 3.37Å; Y454-F456 HydrophobicContact CE1-CE1 4.13Å; Y454-F456 AromaticContact CE1-CG 3.96Å; Y454-F456 HydrophobicContact CE1-CG 3.96Å
455	A	97.9	Very high	81.1	Confident	23 Å²	23	97.9 Å²	97.9	19%	0.19	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.3	174.9	0	0	0	0	0	109.8	V441 Q442 Y453	V441-A455 HydrophobicContact CB-CB 4.33Å; V441-A455 WeakPolarHBondContact CB-O 3.41Å; V441-A455 PolarHBondContact N-O 2.85Å; Q442-A455 HydrophobicContact CB-CB 4.38Å; Q442-A455 PolarHBondContact N-O 2.86Å; Q442-A455 VanDerWaalsContact N-O 3.16Å; Q442-A455 PolarHBondContact O-N 3.13Å; Y453-A455 HydrophobicContact CE1-CB 3.94Å
456	F	96.6	Very high	80.4	Confident	91 Å²	91	102.1 Å²	102.1	40%	0.399	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.6	177	66.7	-81.4	0	0	0	110.4	T436 Q439 Y454 P458	T436-F456 HydrophobicContact CG2-CB 3.8Å; T436-F456 HydrophobicContact CG2-CD1 4.21Å; T436-F456 HydrophobicContact CG2-CD2 3.6Å; T436-F456 HydrophobicContact CG2-CE2 4.19Å; T436-F456 HydrophobicContact CG2-CG 3.61Å; Q439-F456 CarbonylContact O-C 3.47Å; Q439-F456 WeakPolarHBondContact O-CA 3.27Å; Q439-F456 WeakPolarHBondContact O-CB 3.28Å; Y454-F456 AromaticContact CD1-CD1 3.81Å; Y454-F456 HydrophobicContact CD1-CD1 3.81Å; Y454-F456 HydrophobicContact CD1-CE1 4.39Å; Y454-F456 HydrophobicContact CE1-CB 4Å; Y454-F456 AromaticContact CE1-CD1 3.37Å; Y454-F456 HydrophobicContact CE1-CD1 3.37Å; Y454-F456 HydrophobicContact CE1-CE1 4.13Å; Y454-F456 AromaticContact CE1-CG 3.96Å; Y454-F456 HydrophobicContact CE1-CG 3.96Å; F456-P458 HydrophobicContact CD2-CG 4.47Å; F456-P458 HydrophobicContact CE2-CG 4.12Å
457	V	95.7	Very high	79.5	Confident	86 Å²	86	105.1 Å²	105.1	52%	0.521	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	115.5	171.6	-177.5	0	0	0	0	108.3	G438 Q439 V441 T459	G438-V457 CarbonylContact C-O 3.37Å; G438-V457 WeakPolarHBondContact CA-O 2.95Å; Q439-V457 PolarHBondContact N-O 3.05Å; Q439-V457 PolarHBondContact O-N 3.22Å; V441-V457 HydrophobicContact CG2-CG2 3.69Å; V457-T459 PolarHBondContact O-N 2.84Å
458	P	93	Very high	78.8	Confident	86 Å²	86	110 Å²	110	56%	0.558	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-58.4	139.4	178.7	-23.8	33.6	0	0	0	112	F456 Q460	F456-P458 HydrophobicContact CD2-CG 4.47Å; F456-P458 HydrophobicContact CE2-CG 4.12Å; P458-Q460 PolarHBondContact O-N 2.68Å
459	T	83.4	Confident	78.1	Confident	67 Å²	67	109.4 Å²	109.4	41%	0.411	57%	0.573	S	S	.	*			trans	-68.5	123.4	169.7	-48.3	0	0	0	0	108	A437 G438 V457 K461	A437-T459 PolarHBondContact O-N 3Å; G438-T459 WeakPolarHBondContact CA-OG1 3.39Å; V457-T459 PolarHBondContact O-N 2.84Å; T459-K461 HydrophobicContact CG2-CB 4.39Å; T459-K461 PolarHBondContact O-N 3.17Å
460	Q	65.2	Low	77	Confident	196 Å²	196	111.6 Å²	111.6	92%	0.916	58%	0.576	S	S	*	*	S	Bend	trans	-61.2	-11.8	-178.6	-76.6	-172.4	-8.7	0	0	114	P458 I462	P458-Q460 PolarHBondContact O-N 2.68Å; Q460-I462 VanDerWaalsContact C-N 3.31Å; Q460-I462 PolarHBondContact O-N 2.9Å; Q460-I462 VanDerWaalsContact O-N 3.11Å
461	K	56.3	Low	76	Confident	179 Å²	179	116.1 Å²	116.1	78%	0.778	59%	0.585	S	S	*	*			trans	-84.1	73.5	170.9	-73.9	-174.2	177.1	179.2	0	111.2	T459	T459-K461 HydrophobicContact CG2-CB 4.39Å; T459-K461 PolarHBondContact O-N 3.17Å
462	I	48.8	Very low	74.5	Confident	136 Å²	136	118.4 Å²	118.4	70%	0.697	59%	0.59	S	S	*	*			trans	-115.3	74.5	142	-55.5	179.1	0	0	0	105.5	Q460 Q464	Q460-I462 VanDerWaalsContact C-N 3.31Å; Q460-I462 PolarHBondContact O-N 2.9Å; Q460-I462 VanDerWaalsContact O-N 3.11Å; I462-Q464 PolarHBondContact O-N 2.87Å
463	V	40.9	Very low	72.7	Confident	117 Å²	117	121.9 Å²	121.9	71%	0.709	61%	0.611	S	S	*	*			trans	-79.8	110.9	165.1	176.5	0	0	0	0	105.6
464	Q	35.7	Very low	70.6	Confident	181 Å²	181	122.1 Å²	122.1	85%	0.846	62%	0.623	S	S	*	*			trans	25.7	106.8	160.6	-69	178.8	-20.4	0	0	117.1	I462	I462-Q464 PolarHBondContact O-N 2.87Å
465	M	35.3	Very low	68.1	Low	258 Å²	258	129.1 Å²	129.1	100%	1.271	66%	0.663	S	S	*	*			trans	-113.8	0	146	-76.6	-167.7	-170.2	0	0	109.1

Retrieved 465 of 465 residues in 239.5 ms (Link to these results)

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