A0A077YX07_TRITR Loading...

Protein lgc protein cbr acc-1 protein acc cre lgc-49 protein cre acc-1 protein cbn acc-1 protein

AlphaFold DB , UniProt , Accession A0A077YX07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 469 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	37.3	Very low	33.1	Very low	248 Å²	248	159.6 Å²	159.6	100%	1.222	81%	0.806	S	S	*	*				0	117.3	0	-103.7	175.6	-84.1	0	0	107.6
2	H	33.7	Very low	33.3	Very low	173 Å²	173	150.2 Å²	150.2	80%	0.801	77%	0.766	S	S	*	*			trans	-81.2	148.1	-175.9	-135.4	39.2	0	0	0	110
3	L	30.8	Very low	33.9	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	75%	0.746	S	S	*	*			trans	65	108.4	150.9	-64.2	160.3	0	0	0	118.2
4	E	32.6	Very low	34.9	Very low	165 Å²	165	141.3 Å²	141.3	77%	0.771	74%	0.743	S	S	*	*				-179.3	80.6	113.4	-96.5	176.5	-166.4	0	0	108	K6	E4-K6 PolarHBondContact O-N 3.11Å
5	R	37.9	Very low	36.1	Very low	254 Å²	254	133.1 Å²	133.1	96%	0.958	70%	0.7	S	S	*	*			trans	-69.1	90.7	153.7	-82.1	-174.7	179	-180	-0.4	105.1	A7	R5-A7 VanDerWaalsContact C-N 3.34Å; R5-A7 PolarHBondContact O-N 3.29Å
6	K	31.5	Very low	37.6	Very low	159 Å²	159	128.4 Å²	128.4	69%	0.691	67%	0.67	S	S	*	*			trans	-50.4	108	162.6	-74.1	-178.8	176.6	177.9	0	105.8	E4 N8	E4-K6 PolarHBondContact O-N 3.11Å; K6-N8 PolarHBondContact O-N 2.84Å
7	A	32.5	Very low	38.8	Very low	95 Å²	95	123.3 Å²	123.3	79%	0.785	65%	0.646	S	S	*	*			trans	-55.9	96	156.5	0	0	0	0	0	104.3	R5 A9	R5-A7 VanDerWaalsContact C-N 3.34Å; R5-A7 PolarHBondContact O-N 3.29Å; A7-A9 PolarHBondContact O-N 2.89Å
8	N	32.3	Very low	39.7	Very low	136 Å²	136	121.1 Å²	121.1	73%	0.727	64%	0.643	S	S	*	*			trans	-60.7	94.7	164.3	-79.5	-17	0	0	0	104.1	K6 V10	K6-N8 PolarHBondContact O-N 2.84Å; N8-V10 VanDerWaalsContact C-N 3.3Å; N8-V10 PolarHBondContact O-N 2.88Å
9	A	31.3	Very low	40.2	Very low	83 Å²	83	124.8 Å²	124.8	69%	0.686	65%	0.653	S	S	*	*			trans	-48.7	107.4	158.4	0	0	0	0	0	105	A7 K11	A7-A9 PolarHBondContact O-N 2.89Å; A9-K11 PolarHBondContact O-N 2.99Å
10	V	34.6	Very low	40.8	Very low	102 Å²	102	123.4 Å²	123.4	62%	0.618	64%	0.642	S	S	*	*			trans	-60.7	89.8	179.1	175.9	0	0	0	0	106.7	N8 S12	N8-V10 VanDerWaalsContact C-N 3.3Å; N8-V10 PolarHBondContact O-N 2.88Å; V10-S12 VanDerWaalsContact C-N 3.26Å; V10-S12 PolarHBondContact O-N 2.88Å; V10-S12 VanDerWaalsContact O-N 3.16Å
11	K	29.6	Very low	41.3	Very low	202 Å²	202	121.3 Å²	121.3	88%	0.878	64%	0.635	S	S	*	*			trans	-78.2	81.1	165.2	-81.5	-173.7	173.7	-177.1	0	107.2	A9	A9-K11 PolarHBondContact O-N 2.99Å
12	S	35.3	Very low	42.2	Very low	46 Å²	46	113 Å²	113	32%	0.322	61%	0.606	S	S	.	*			trans	171.3	74.5	147.5	61.1	0	0	0	0	109.2	V10 T14	V10-S12 VanDerWaalsContact C-N 3.26Å; V10-S12 PolarHBondContact O-N 2.88Å; V10-S12 VanDerWaalsContact O-N 3.16Å; S12-T14 PolarHBondContact O-N 2.73Å
13	A	41.8	Very low	43.2	Very low	61 Å²	61	109.4 Å²	109.4	50%	0.504	60%	0.601	S	S	.	*			trans	-83.5	47	157	0	0	0	0	0	109.2	D15	A13-D15 VanDerWaalsContact C-N 3.25Å
14	T	47.9	Very low	44.6	Very low	115 Å²	115	106.6 Å²	106.6	71%	0.706	59%	0.586	S	S	*	*			trans	-77.4	-11.9	179.3	36.6	0	0	0	0	112.7	S12	S12-T14 PolarHBondContact O-N 2.73Å
15	D	52.2	Low	45.9	Very low	18 Å²	18	101.7 Å²	101.7	10%	0.096	56%	0.561	C	S	.	*	S	Bend	trans	-81.8	-22.1	-176.7	-61.2	-7.1	0	0	0	112.4	A13 R71 D205 T206	A13-D15 VanDerWaalsContact C-N 3.25Å; D15-R71 PolarHBondContact O-NH1 3.47Å; D15-R71 PolarHBondContact O-NH2 3.4Å; D15-D205 PolarHBondContact OD2-N 2.88Å; D15-T206 WeakPolarHBondContact OD2-CB 3.47Å; D15-T206 PolarHBondContact OD2-N 3.31Å; D15-T206 PolarHBondContact OD2-OG1 2.65Å
16	W	60.2	Low	47	Very low	58 Å²	58	91.4 Å²	91.4	22%	0.22	53%	0.534	C	S	.	.	S	Bend	trans	-104.3	149.8	179.7	-60.9	88.9	0	0	0	109.7	S18 D73 N96 M98 W160	W16-S18 PolarHBondContact O-N 3.12Å; W16-D73 WeakPolarHBondContact CH2-OD1 3.48Å; W16-D73 HydrophobicContact CZ2-CB 4.45Å; W16-D73 WeakPolarHBondContact CZ2-OD1 3.41Å; W16-N96 HydrophobicContact CH2-CB 4.4Å; W16-M98 HydrophobicContact CE3-CE 3.29Å; W16-M98 HydrophobicContact CE3-SD 3.72Å; W16-M98 HydrophobicContact CH2-CB 3.93Å; W16-M98 HydrophobicContact CH2-SD 4.46Å; W16-M98 HydrophobicContact CZ3-CB 3.74Å; W16-M98 HydrophobicContact CZ3-CE 3.32Å; W16-M98 HydrophobicContact CZ3-CG 4.25Å; W16-M98 HydrophobicContact CZ3-SD 3.65Å; W16-W160 AromaticContact CZ3-CD1 3.92Å; W16-W160 HydrophobicContact CZ3-CD2 4.37Å; W16-W160 HydrophobicContact CZ3-CG 4.19Å; W16-W160 AromaticContact CZ3-NE1 3.98Å
17	P	57.7	Low	48.3	Very low	42 Å²	42	90.4 Å²	90.4	27%	0.273	53%	0.532	S	S	.	.	S	Bend	trans	-48.5	135.9	169.2	-23.2	33.1	0	0	0	109.5	K19 M98 Y154	P17-K19 PolarHBondContact O-N 3.13Å; P17-M98 HydrophobicContact CG-CE 4.24Å; P17-Y154 HydrophobicContact CB-CD1 3.78Å; P17-Y154 HydrophobicContact CB-CE1 3.51Å; P17-Y154 HydrophobicContact CG-CD1 3.81Å; P17-Y154 HydrophobicContact CG-CD2 4.38Å; P17-Y154 HydrophobicContact CG-CE1 3.61Å; P17-Y154 HydrophobicContact CG-CE2 4.21Å; P17-Y154 HydrophobicContact CG-CG 4.19Å
18	S	54.8	Low	49.8	Very low	84 Å²	84	88.2 Å²	88.2	59%	0.587	51%	0.507	S	S	*	.			trans	-49	131.1	-173.2	43.8	0	0	0	0	111.6	W16 H20	W16-S18 PolarHBondContact O-N 3.12Å; S18-H20 PolarHBondContact O-CD2 3.19Å; S18-H20 PolarHBondContact O-N 3.43Å
19	K	49.6	Very low	51.3	Low	191 Å²	191	85.8 Å²	85.8	83%	0.83	51%	0.514	S	S	*	.			trans	-60.7	104.5	171.3	-69.8	-175.9	-179.9	-178.6	0	108.7	P17	P17-K19 PolarHBondContact O-N 3.13Å
20	H	53.3	Low	53.2	Low	96 Å²	96	91.9 Å²	91.9	44%	0.444	52%	0.521	S	S	.	.			trans	-67.5	141.4	170.5	-77.2	-73.9	0	0	0	109.9	S18 D24	S18-H20 PolarHBondContact O-CD2 3.19Å; S18-H20 PolarHBondContact O-N 3.43Å; H20-D24 VanDerWaalsContact CA-OD2 3.31Å; H20-D24 WeakPolarHBondContact CA-OD2 3.49Å; H20-D24 WeakPolarHBondContact CB-OD2 3.32Å; H20-D24 IonicContact CE1-OD2 3.5Å; H20-D24 IonicContact CG-OD2 3.58Å; H20-D24 IonicContact ND1-OD2 2.66Å; H20-D24 PolarHBondContact ND1-OD2 3.44Å
21	T	51.2	Low	54.6	Low	80 Å²	80	89.2 Å²	89.2	49%	0.491	51%	0.514	S	S	.	.			trans	-106.2	161	-174	50.6	0	0	0	0	109.7	S23 D24	T21-S23 PolarHBondContact O-N 3.07Å; T21-S23 PolarHBondContact OG1-OG 3.13Å; T21-D24 PolarHBondContact N-OD2 3.28Å; T21-D24 WeakPolarHBondContact O-CB 3.49Å; T21-D24 PolarHBondContact O-N 3.43Å
22	A	56	Low	56.3	Low	73 Å²	73	84.2 Å²	84.2	60%	0.603	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-53.9	-21.4	179.9	0	0	0	0	0	113.5	D24 Y25	A22-D24 VanDerWaalsContact C-N 3.3Å; A22-D24 PolarHBondContact O-N 3.04Å; A22-Y25 PolarHBondContact O-N 2.96Å
23	S	54.1	Low	57.7	Low	99 Å²	99	85.7 Å²	85.7	69%	0.692	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-71.6	-13.8	175.1	53.2	0	0	0	0	115.4	T21 Y25	T21-S23 PolarHBondContact O-N 3.07Å; T21-S23 PolarHBondContact OG1-OG 3.13Å; S23-Y25 PolarHBondContact O-N 2.74Å
24	D	60.1	Low	58.7	Low	80 Å²	80	86.9 Å²	86.9	43%	0.428	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-73.3	-12.5	173.9	-67.9	-42.1	0	0	0	112.3	H20 T21 A22	H20-D24 VanDerWaalsContact CA-OD2 3.31Å; H20-D24 WeakPolarHBondContact CA-OD2 3.49Å; H20-D24 WeakPolarHBondContact CB-OD2 3.32Å; H20-D24 IonicContact CE1-OD2 3.5Å; H20-D24 IonicContact CG-OD2 3.58Å; H20-D24 IonicContact ND1-OD2 2.66Å; H20-D24 PolarHBondContact ND1-OD2 3.44Å; T21-D24 PolarHBondContact N-OD2 3.28Å; T21-D24 WeakPolarHBondContact O-CB 3.49Å; T21-D24 PolarHBondContact O-N 3.43Å; A22-D24 VanDerWaalsContact C-N 3.3Å; A22-D24 PolarHBondContact O-N 3.04Å
25	Y	60.3	Low	59.4	Low	62 Å²	62	85.1 Å²	85.1	24%	0.243	48%	0.482	C	S	.	.	S	Bend	trans	-105.5	141.9	177	-57.8	-84.9	0	0	0	110	A22 S23 T33 Y35 K113	A22-Y25 PolarHBondContact O-N 2.96Å; S23-Y25 PolarHBondContact O-N 2.74Å; Y25-T33 HydrophobicContact CD2-CG2 4.42Å; Y25-T33 HydrophobicContact CG-CG2 3.94Å; Y25-Y35 HydrophobicContact CD1-CD1 4.29Å; Y25-Y35 HydrophobicContact CD1-CE1 4.27Å; Y25-Y35 HydrophobicContact CE1-CD1 4.37Å; Y25-Y35 HydrophobicContact CE1-CE1 4.05Å; Y25-K113 HydrophobicContact CE1-CG 4.36Å
26	G	60.1	Low	60	Low	38 Å²	38	92.5 Å²	92.5	39%	0.392	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	166.8	168.8	0	0	0	0	0	110.5	T33 I34	G26-T33 CarbonylContact O-C 3.52Å; G26-T33 WeakPolarHBondContact O-CA 3.49Å; G26-I34 WeakPolarHBondContact CA-O 3.5Å; G26-I34 PolarHBondContact N-O 3.19Å; G26-I34 PolarHBondContact O-N 2.82Å
27	Q	58.8	Low	60.5	Low	138 Å²	138	99.4 Å²	99.4	65%	0.645	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.8	171.7	-73.6	-178.2	-20.4	0	0	110.4	N32	Q27-N32 CarbonylContact C-O 3.49Å; Q27-N32 WeakPolarHBondContact CA-O 3.49Å
28	D	64	Low	61.5	Low	49 Å²	49	100.8 Å²	100.8	26%	0.262	57%	0.57	S	S	.	*			trans	-78.4	174.1	171.5	73.5	4	0	0	0	110.9	Y30 G31 N32 I34	D28-Y30 PolarHBondContact O-N 3.18Å; D28-Y30 VanDerWaalsContact OD1-CA 3.26Å; D28-Y30 WeakPolarHBondContact OD1-CA 3.42Å; D28-Y30 WeakPolarHBondContact OD1-CB 3.42Å; D28-Y30 PolarHBondContact OD1-N 3.02Å; D28-G31 PolarHBondContact O-N 3.47Å; D28-G31 PolarHBondContact OD1-N 3.03Å; D28-N32 PolarHBondContact N-O 3.48Å; D28-N32 WeakPolarHBondContact OD1-CB 3.27Å; D28-N32 PolarHBondContact OD1-N 2.98Å; D28-N32 PolarHBondContact OD1-ND2 3.38Å; D28-N32 WeakPolarHBondContact OD2-CB 3.48Å; D28-N32 PolarHBondContact OD2-ND2 3.48Å; D28-I34 HydrophobicContact CB-CD1 3.39Å; D28-I34 HydrophobicContact CB-CG1 3.5Å; D28-I34 VanDerWaalsContact CB-CG1 3.5Å
29	G	65.5	Low	62.9	Low	85 Å²	85	98 Å²	98	88%	0.876	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-7.1	175.9	0	0	0	0	0	114.9
30	Y	70	Confident	64.6	Low	210 Å²	210	91 Å²	91	82%	0.824	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	1.7	176.5	-67.4	-82.2	0	0	0	112.9	D28	D28-Y30 PolarHBondContact O-N 3.18Å; D28-Y30 VanDerWaalsContact OD1-CA 3.26Å; D28-Y30 WeakPolarHBondContact OD1-CA 3.42Å; D28-Y30 WeakPolarHBondContact OD1-CB 3.42Å; D28-Y30 PolarHBondContact OD1-N 3.02Å
31	G	63.8	Low	66.2	Low	46 Å²	46	91.4 Å²	91.4	47%	0.474	53%	0.525	S	S	.	.	S	Bend	trans	83.7	7	-179	0	0	0	0	0	115.1	D28	D28-G31 PolarHBondContact O-N 3.47Å; D28-G31 PolarHBondContact OD1-N 3.03Å
32	N	66.9	Low	67.8	Low	98 Å²	98	89.1 Å²	89.1	52%	0.524	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-76.7	143.5	173.3	-53.3	-53.5	0	0	0	110.2	Q27 D28 I34	Q27-N32 CarbonylContact C-O 3.49Å; Q27-N32 WeakPolarHBondContact CA-O 3.49Å; D28-N32 PolarHBondContact N-O 3.48Å; D28-N32 WeakPolarHBondContact OD1-CB 3.27Å; D28-N32 PolarHBondContact OD1-N 2.98Å; D28-N32 PolarHBondContact OD1-ND2 3.38Å; D28-N32 WeakPolarHBondContact OD2-CB 3.48Å; D28-N32 PolarHBondContact OD2-ND2 3.48Å; N32-I34 PolarHBondContact O-N 3.06Å
33	T	63	Low	69.2	Low	77 Å²	77	91.6 Å²	91.6	47%	0.472	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	118.1	175.2	21.1	0	0	0	0	111.8	Y25 G26	Y25-T33 HydrophobicContact CD2-CG2 4.42Å; Y25-T33 HydrophobicContact CG-CG2 3.94Å; G26-T33 CarbonylContact O-C 3.52Å; G26-T33 WeakPolarHBondContact O-CA 3.49Å
34	I	63.3	Low	70.8	Confident	85 Å²	85	91 Å²	91	44%	0.436	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.7	171.5	-48.9	171.9	0	0	0	109.2	G26 D28 N32	G26-I34 WeakPolarHBondContact CA-O 3.5Å; G26-I34 PolarHBondContact N-O 3.19Å; G26-I34 PolarHBondContact O-N 2.82Å; D28-I34 HydrophobicContact CB-CD1 3.39Å; D28-I34 HydrophobicContact CB-CG1 3.5Å; D28-I34 VanDerWaalsContact CB-CG1 3.5Å; N32-I34 PolarHBondContact O-N 3.06Å
35	Y	63.6	Low	72	Confident	78 Å²	78	87.1 Å²	87.1	31%	0.306	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-67.4	153.9	166.8	-55.9	-74.9	0	0	0	112.2	Y25 Q37 C112 K113	Y25-Y35 HydrophobicContact CD1-CD1 4.29Å; Y25-Y35 HydrophobicContact CD1-CE1 4.27Å; Y25-Y35 HydrophobicContact CE1-CD1 4.37Å; Y25-Y35 HydrophobicContact CE1-CE1 4.05Å; Y35-Q37 PolarHBondContact O-N 3.46Å; Y35-C112 HydrophobicContact CD1-CB 3.48Å; Y35-C112 VanDerWaalsContact CD1-CB 3.48Å; Y35-C112 HydrophobicContact CE1-CB 4.04Å; Y35-C112 HydrophobicContact CG-CB 3.77Å; Y35-K113 HydrophobicContact CE1-CD 4.37Å; Y35-K113 HydrophobicContact CE1-CG 3.68Å; Y35-K113 WeakPolarHBondContact OH-CE 3.3Å; Y35-K113 PolarHBondContact OH-NZ 3.11Å
36	K	64.9	Low	73.3	Confident	173 Å²	173	85.9 Å²	85.9	75%	0.752	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.5	172.7	-68.6	178.4	-180	172.8	0	109.8	G38 C39	K36-G38 PolarHBondContact O-N 3.36Å; K36-C39 PolarHBondContact O-SG 3.19Å
37	Q	69.7	Low	74.6	Confident	203 Å²	203	89.1 Å²	89.1	95%	0.949	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	133.2	177	-74.3	179.2	-16.2	0	0	110.8	Y35	Y35-Q37 PolarHBondContact O-N 3.46Å
38	G	78.5	Confident	75.8	Confident	71 Å²	71	87.8 Å²	87.8	73%	0.732	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	11.8	176	0	0	0	0	0	116.6	K36 N110	K36-G38 PolarHBondContact O-N 3.36Å; G38-N110 PolarHBondContact O-ND2 3.07Å
39	C	84.6	Confident	76.7	Confident	26 Å²	26	86.3 Å²	86.3	18%	0.176	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-90.1	159.3	171	64.3	0	0	0	0	112.3	K36 N110 C112	K36-C39 PolarHBondContact O-SG 3.19Å; C39-N110 CarbonylContact C-O 3.55Å; C39-N110 WeakPolarHBondContact CA-O 3.3Å; C39-N110 WeakPolarHBondContact CB-O 3.45Å; C39-C112 HydrophobicContact CB-CB 3.88Å; C39-C112 WeakPolarHBondContact CB-SG 3.23Å; C39-C112 PolarHBondContact O-SG 3.14Å; C39-C112 WeakPolarHBondContact SG-CA 3.27Å; C39-C112 WeakPolarHBondContact SG-CB 3.5Å; C39-C112 CovalentContact SG-SG 2.03Å; C39-C112 PolarHBondContact SG-SG 3.16Å
40	T	84.7	Confident	77.4	Confident	43 Å²	43	84 Å²	84	26%	0.264	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-87.3	130	178.5	-54.7	0	0	0	0	110.7	D44 V45 L109 N110 C112	T40-D44 HydrophobicContact CG2-CB 3.81Å; T40-V45 HydrophobicContact CG2-CG2 3.73Å; T40-L109 VanDerWaalsContact CB-O 3.22Å; T40-L109 WeakPolarHBondContact CB-O 3.24Å; T40-L109 PolarHBondContact OG1-O 3.48Å; T40-N110 PolarHBondContact N-O 3.32Å; T40-C112 PolarHBondContact O-N 2.76Å; T40-C112 PolarHBondContact O-SG 3.23Å
41	H	86.4	Confident	78	Confident	106 Å²	106	76 Å²	76	49%	0.491	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-68.7	147.7	179	-72.6	-64.3	0	0	0	111.9	I43 D44 V45	H41-I43 PolarHBondContact O-N 3.44Å; H41-I43 VanDerWaalsContact O-N 3.11Å; H41-D44 PolarHBondContact O-N 3.26Å; H41-V45 PolarHBondContact O-N 3.38Å; H41-V45 VanDerWaalsContact O-N 3.09Å
42	D	84.8	Confident	78.8	Confident	32 Å²	32	75.1 Å²	75.1	17%	0.171	40%	0.396	C	S	.	.	H	α-helix	trans	-54.3	-35.3	-178.4	-55.3	-13.2	0	0	0	113	D44 V45 V46 K113	D42-D44 VanDerWaalsContact C-N 3.34Å; D42-D44 PolarHBondContact O-N 3.24Å; D42-V45 PolarHBondContact O-N 3.48Å; D42-V46 WeakPolarHBondContact O-CB 3.32Å; D42-V46 WeakPolarHBondContact O-CG2 3.16Å; D42-V46 PolarHBondContact O-N 2.97Å; D42-K113 WeakPolarHBondContact OD2-CD 3.22Å; D42-K113 WeakPolarHBondContact OD2-CE 3.32Å; D42-K113 IonicContact OD2-NZ 2.87Å; D42-K113 PolarHBondContact OD2-NZ 3.4Å
43	I	86.1	Confident	79.3	Confident	124 Å²	124	78.1 Å²	78.1	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-60.8	-45.4	178.9	-62	170.4	0	0	0	110.6	H41 V46 N47	H41-I43 PolarHBondContact O-N 3.44Å; H41-I43 VanDerWaalsContact O-N 3.11Å; I43-V46 PolarHBondContact O-N 2.84Å; I43-N47 WeakPolarHBondContact O-CB 3.47Å; I43-N47 PolarHBondContact O-N 2.88Å; I43-N47 PolarHBondContact O-ND2 3.02Å
44	D	87	Confident	80.2	Confident	86 Å²	86	82.8 Å²	82.8	46%	0.46	43%	0.426	S	S	.	.	H	α-helix	trans	-70.1	-39.5	-180	-59.7	-44.9	0	0	0	110.9	T40 H41 D42 N47 Q48	T40-D44 HydrophobicContact CG2-CB 3.81Å; H41-D44 PolarHBondContact O-N 3.26Å; D42-D44 VanDerWaalsContact C-N 3.34Å; D42-D44 PolarHBondContact O-N 3.24Å; D44-N47 PolarHBondContact O-N 2.88Å; D44-Q48 WeakPolarHBondContact O-CB 3.45Å; D44-Q48 PolarHBondContact O-N 3.02Å
45	V	87	Confident	81.1	Confident	0 Å²	0	82 Å²	82	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-60.6	-48	174.4	179.1	0	0	0	0	110.8	T40 H41 D42 Q48 L49 F106 L109 P111 M116	T40-V45 HydrophobicContact CG2-CG2 3.73Å; H41-V45 PolarHBondContact O-N 3.38Å; H41-V45 VanDerWaalsContact O-N 3.09Å; D42-V45 PolarHBondContact O-N 3.48Å; V45-Q48 PolarHBondContact O-N 3.01Å; V45-L49 WeakPolarHBondContact O-CB 3.32Å; V45-L49 PolarHBondContact O-N 3.22Å; V45-F106 HydrophobicContact CG1-CB 3.84Å; V45-F106 HydrophobicContact CG1-CD1 4.45Å; V45-F106 HydrophobicContact CG1-CD2 3.7Å; V45-F106 HydrophobicContact CG1-CE2 4.36Å; V45-F106 HydrophobicContact CG1-CG 3.75Å; V45-L109 HydrophobicContact CG1-CD1 4.18Å; V45-P111 HydrophobicContact CG2-CB 4.32Å; V45-M116 HydrophobicContact CB-CE 4.08Å; V45-M116 HydrophobicContact CG1-CE 3.31Å
46	V	86.9	Confident	82.1	Confident	36 Å²	36	81.2 Å²	81.2	22%	0.218	44%	0.444	C	S	.	.	H	α-helix	trans	-63.3	-45.9	179.1	170.9	0	0	0	0	110.7	D42 I43 Q48 L49 V50 M116 L118	D42-V46 WeakPolarHBondContact O-CB 3.32Å; D42-V46 WeakPolarHBondContact O-CG2 3.16Å; D42-V46 PolarHBondContact O-N 2.97Å; I43-V46 PolarHBondContact O-N 2.84Å; V46-Q48 PolarHBondContact O-N 3.09Å; V46-L49 PolarHBondContact O-N 3.26Å; V46-V50 HydrophobicContact CG1-CB 4.41Å; V46-V50 HydrophobicContact CG1-CG2 3.87Å; V46-V50 WeakPolarHBondContact O-CB 3.45Å; V46-V50 WeakPolarHBondContact O-CG2 3.48Å; V46-V50 PolarHBondContact O-N 2.84Å; V46-M116 HydrophobicContact CG2-SD 3.59Å; V46-M116 VanDerWaalsContact CG2-SD 3.59Å; V46-L118 HydrophobicContact CG1-CD2 4.26Å; V46-L118 HydrophobicContact CG2-CD2 3.61Å
47	N	86.4	Confident	83.3	Confident	105 Å²	105	74.2 Å²	74.2	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-59.4	-35.7	177.7	-74.7	-26	0	0	0	112.4	I43 D44 D51	I43-N47 WeakPolarHBondContact O-CB 3.47Å; I43-N47 PolarHBondContact O-N 2.88Å; I43-N47 PolarHBondContact O-ND2 3.02Å; D44-N47 PolarHBondContact O-N 2.88Å; N47-D51 WeakPolarHBondContact O-CB 3.34Å
48	Q	84.4	Confident	84.2	Confident	111 Å²	111	67.4 Å²	67.4	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-78.7	-38.7	177.4	-173.3	171.6	-1.5	0	0	112.9	D44 V45 V46 L109	D44-Q48 WeakPolarHBondContact O-CB 3.45Å; D44-Q48 PolarHBondContact O-N 3.02Å; V45-Q48 PolarHBondContact O-N 3.01Å; V46-Q48 PolarHBondContact O-N 3.09Å; Q48-L109 HydrophobicContact CB-CD1 4.42Å; Q48-L109 HydrophobicContact CG-CD1 4.34Å; Q48-L109 VanDerWaalsContact OE1-CD2 3.25Å
49	L	83.5	Confident	84.8	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-76.7	-37.9	-175.7	-167.4	66.3	0	0	0	112.5	V45 V46 L104 F106	V45-L49 WeakPolarHBondContact O-CB 3.32Å; V45-L49 PolarHBondContact O-N 3.22Å; V46-L49 PolarHBondContact O-N 3.26Å; L49-L104 HydrophobicContact CG-CD2 4.45Å; L49-F106 HydrophobicContact CD2-CD1 3.95Å
50	V	79.8	Confident	85.1	Confident	35 Å²	35	74.2 Å²	74.2	21%	0.212	39%	0.392	C	S	.	.	S	Bend	trans	-91.3	-2.9	-173.4	178.3	0	0	0	0	112.6	V46 F52 L122	V46-V50 HydrophobicContact CG1-CB 4.41Å; V46-V50 HydrophobicContact CG1-CG2 3.87Å; V46-V50 WeakPolarHBondContact O-CB 3.45Å; V46-V50 WeakPolarHBondContact O-CG2 3.48Å; V46-V50 PolarHBondContact O-N 2.84Å; V50-F52 HydrophobicContact CG1-CD2 4.44Å; V50-F52 HydrophobicContact CG1-CE2 3.83Å; V50-F52 HydrophobicContact CG1-CZ 4.23Å; V50-F52 VanDerWaalsContact O-CD2 3.28Å; V50-F52 WeakPolarHBondContact O-CD2 3.34Å; V50-F52 PolarHBondContact O-N 3.24Å; V50-L122 HydrophobicContact CB-CD1 4.23Å; V50-L122 HydrophobicContact CG1-CD1 3.33Å; V50-L122 HydrophobicContact CG1-CD2 4.39Å; V50-L122 HydrophobicContact CG2-CD1 3.87Å; V50-L122 HydrophobicContact CG2-CD2 3.57Å; V50-L122 HydrophobicContact CG2-CG 4.38Å
51	D	82.7	Confident	85.4	Confident	43 Å²	43	78.8 Å²	78.8	23%	0.23	41%	0.408	C	S	.	.			trans	-74.4	73.1	167.4	-164.5	-20	0	0	0	109.9	N47 D53 K54 S55	N47-D51 WeakPolarHBondContact O-CB 3.34Å; D51-D53 PolarHBondContact O-N 2.99Å; D51-K54 HydrophobicContact CB-CB 4.37Å; D51-K54 PolarHBondContact O-N 2.99Å; D51-K54 WeakPolarHBondContact OD1-CG 3.38Å; D51-K54 PolarHBondContact OD1-N 3.03Å; D51-K54 WeakPolarHBondContact OD2-CD 3.39Å; D51-K54 WeakPolarHBondContact OD2-CE 3.34Å; D51-K54 WeakPolarHBondContact OD2-CG 3.42Å; D51-K54 IonicContact OD2-NZ 2.78Å; D51-K54 PolarHBondContact OD2-NZ 3.14Å; D51-S55 PolarHBondContact O-N 3.49Å; D51-S55 PolarHBondContact O-OG 3.3Å
52	F	80.2	Confident	85.7	Confident	28 Å²	28	76 Å²	76	12%	0.123	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-29	-175.8	-61	-55.9	0	0	0	112.9	V50 S55 G56 Y57 L122 K125 L126	V50-F52 HydrophobicContact CG1-CD2 4.44Å; V50-F52 HydrophobicContact CG1-CE2 3.83Å; V50-F52 HydrophobicContact CG1-CZ 4.23Å; V50-F52 VanDerWaalsContact O-CD2 3.28Å; V50-F52 WeakPolarHBondContact O-CD2 3.34Å; V50-F52 PolarHBondContact O-N 3.24Å; F52-S55 WeakPolarHBondContact CA-OG 3.37Å; F52-G56 PolarHBondContact O-N 2.94Å; F52-Y57 VanDerWaalsContact CD1-CB 3.48Å; F52-Y57 AromaticContact CD1-CD1 3.62Å; F52-Y57 HydrophobicContact CD1-CD1 3.62Å; F52-Y57 AromaticContact CD1-CG 3.63Å; F52-Y57 HydrophobicContact CD1-CG 3.63Å; F52-Y57 AromaticContact CE1-CD1 3.79Å; F52-Y57 HydrophobicContact CE1-CD1 3.79Å; F52-Y57 HydrophobicContact CE1-CE1 4.26Å; F52-Y57 AromaticContact CE1-CG 3.95Å; F52-Y57 HydrophobicContact CE1-CG 3.95Å; F52-Y57 HydrophobicContact CG-CD1 4.37Å; F52-Y57 PolarHBondContact O-N 3.24Å; F52-L122 HydrophobicContact CE2-CD1 3.58Å; F52-L122 HydrophobicContact CZ-CD1 3.66Å; F52-K125 HydrophobicContact CD2-CB 3.89Å; F52-K125 HydrophobicContact CD2-CD 4Å; F52-K125 HydrophobicContact CE2-CB 3.33Å; F52-K125 HydrophobicContact CE2-CD 3.72Å; F52-K125 HydrophobicContact CE2-CG 4.17Å; F52-K125 HydrophobicContact CZ-CB 4.05Å; F52-L126 HydrophobicContact CE1-CD2 3.82Å; F52-L126 HydrophobicContact CZ-CD2 3.59Å; F52-L126 HydrophobicContact CZ-CG 4.42Å
53	D	78.8	Confident	86.1	Confident	160 Å²	160	75.1 Å²	75.1	86%	0.856	39%	0.393	S	S	*	.	H	α-helix	trans	-67.4	-39.8	176.8	-66.4	-29.5	0	0	0	111.1	D51	D51-D53 PolarHBondContact O-N 2.99Å
54	K	81.7	Confident	86.4	Confident	175 Å²	175	72.2 Å²	72.2	76%	0.761	38%	0.375	S	S	*	.	H	α-helix	trans	-79.9	-37	176	-69.7	-170.8	-164.2	132.1	0	113.6	D51 G56	D51-K54 HydrophobicContact CB-CB 4.37Å; D51-K54 PolarHBondContact O-N 2.99Å; D51-K54 WeakPolarHBondContact OD1-CG 3.38Å; D51-K54 PolarHBondContact OD1-N 3.03Å; D51-K54 WeakPolarHBondContact OD2-CD 3.39Å; D51-K54 WeakPolarHBondContact OD2-CE 3.34Å; D51-K54 WeakPolarHBondContact OD2-CG 3.42Å; D51-K54 IonicContact OD2-NZ 2.78Å; D51-K54 PolarHBondContact OD2-NZ 3.14Å; K54-G56 VanDerWaalsContact C-N 3.28Å; K54-G56 PolarHBondContact O-N 3.34Å
55	S	80.8	Confident	86.6	Confident	69 Å²	69	74.1 Å²	74.1	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-76.7	-15.7	-178.4	65.3	0	0	0	0	113.1	D51 F52 Y57	D51-S55 PolarHBondContact O-N 3.49Å; D51-S55 PolarHBondContact O-OG 3.3Å; F52-S55 WeakPolarHBondContact CA-OG 3.37Å; S55-Y57 PolarHBondContact O-N 3.18Å; S55-Y57 PolarHBondContact OG-N 2.96Å
56	G	84.7	Confident	86.8	Confident	62 Å²	62	81.5 Å²	81.5	64%	0.639	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	19.9	-175	0	0	0	0	0	112.8	F52 K54 N58	F52-G56 PolarHBondContact O-N 2.94Å; K54-G56 VanDerWaalsContact C-N 3.28Å; K54-G56 PolarHBondContact O-N 3.34Å; G56-N58 PolarHBondContact O-N 3.33Å
57	Y	90	Very high	87	Confident	25 Å²	25	80.5 Å²	80.5	10%	0.098	43%	0.429	C	S	.	.			trans	-63.3	124.1	178.5	-174.6	-90.3	0	0	0	110.1	F52 S55 K59 D101 R103 L104 L126 W127	F52-Y57 VanDerWaalsContact CD1-CB 3.48Å; F52-Y57 AromaticContact CD1-CD1 3.62Å; F52-Y57 HydrophobicContact CD1-CD1 3.62Å; F52-Y57 AromaticContact CD1-CG 3.63Å; F52-Y57 HydrophobicContact CD1-CG 3.63Å; F52-Y57 AromaticContact CE1-CD1 3.79Å; F52-Y57 HydrophobicContact CE1-CD1 3.79Å; F52-Y57 HydrophobicContact CE1-CE1 4.26Å; F52-Y57 AromaticContact CE1-CG 3.95Å; F52-Y57 HydrophobicContact CE1-CG 3.95Å; F52-Y57 HydrophobicContact CG-CD1 4.37Å; F52-Y57 PolarHBondContact O-N 3.24Å; S55-Y57 PolarHBondContact O-N 3.18Å; S55-Y57 PolarHBondContact OG-N 2.96Å; Y57-K59 HydrophobicContact CE1-CB 4.11Å; Y57-D101 WeakPolarHBondContact CE2-OD2 3.45Å; Y57-D101 PolarHBondContact OH-OD2 3.01Å; Y57-R103 HydrophobicContact CD2-CB 4.01Å; Y57-R103 HydrophobicContact CE2-CB 4.07Å; Y57-R103 PolarHBondContact OH-NH2 2.96Å; Y57-L104 HydrophobicContact CD2-CD2 4.26Å; Y57-L104 HydrophobicContact CE2-CD2 3.82Å; Y57-L104 HydrophobicContact CE2-CG 4.09Å; Y57-L126 HydrophobicContact CE1-CD2 4.21Å; Y57-W127 PolarHBondContact OH-N 3.4Å
58	N	90.1	Very high	87.5	Confident	61 Å²	61	75.8 Å²	75.8	33%	0.326	40%	0.404	S	S	.	.			trans	-116.4	107.9	178.1	-172.4	-21.6	0	0	0	110	G56 H60 K61 R103	G56-N58 PolarHBondContact O-N 3.33Å; N58-H60 PolarHBondContact O-N 3.48Å; N58-H60 VanDerWaalsContact OD1-CB 3.31Å; N58-H60 WeakPolarHBondContact OD1-CB 3.05Å; N58-H60 PolarHBondContact OD1-CD2 2.88Å; N58-H60 PolarHBondContact OD1-N 3.28Å; N58-K61 HydrophobicContact CB-CD 4.42Å; N58-K61 HydrophobicContact CB-CG 4.36Å; N58-K61 PolarHBondContact O-N 3.01Å; N58-K61 VanDerWaalsContact O-N 3.17Å; N58-R103 PolarHBondContact O-NH1 2.96Å; N58-R103 VanDerWaalsContact O-NH1 3.14Å
59	K	90.4	Very high	88	Confident	89 Å²	89	76.1 Å²	76.1	39%	0.387	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.3	178.3	71.5	170.2	-179.3	170.9	0	114.6	Y57 K61 D124 K125	Y57-K59 HydrophobicContact CE1-CB 4.11Å; K59-K61 VanDerWaalsContact C-N 3.33Å; K59-D124 PolarHBondContact NZ-O 3.03Å; K59-K125 WeakPolarHBondContact CB-O 3.42Å
60	H	90.5	Very high	88.6	Confident	151 Å²	151	75.2 Å²	75.2	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.6	178.1	-57.1	-71.7	0	0	0	112.8	N58	N58-H60 PolarHBondContact O-N 3.48Å; N58-H60 VanDerWaalsContact OD1-CB 3.31Å; N58-H60 WeakPolarHBondContact OD1-CB 3.05Å; N58-H60 PolarHBondContact OD1-CD2 2.88Å; N58-H60 PolarHBondContact OD1-N 3.28Å
61	K	91	Very high	89.4	Confident	138 Å²	138	76.7 Å²	76.7	60%	0.6	40%	0.4	S	S	*	.	S	Bend	trans	-102.8	136.2	176.5	-67.6	-173.6	178.4	-177.5	0	110.4	N58 K59 R103	N58-K61 HydrophobicContact CB-CD 4.42Å; N58-K61 HydrophobicContact CB-CG 4.36Å; N58-K61 PolarHBondContact O-N 3.01Å; N58-K61 VanDerWaalsContact O-N 3.17Å; K59-K61 VanDerWaalsContact C-N 3.33Å; K61-R103 PolarHBondContact O-NH1 2.7Å; K61-R103 VanDerWaalsContact O-NH1 3.13Å; K61-R103 PolarHBondContact O-NH2 2.83Å
62	L	94	Very high	90.1	Very high	47 Å²	47	74.7 Å²	74.7	25%	0.246	39%	0.389	C	S	.	.			trans	-51.4	138.3	169.9	-72.2	163.9	0	0	0	110.4	K64 M68 W127 Y194 E198	L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.41Å; L62-M68 HydrophobicContact CD2-CG 4.2Å; L62-W127 HydrophobicContact CD2-CH2 4.44Å; L62-W127 HydrophobicContact CD2-CZ2 3.53Å; L62-Y194 HydrophobicContact CD2-CD1 4.38Å; L62-Y194 HydrophobicContact CD2-CE1 4.29Å; L62-E198 HydrophobicContact CD1-CB 3.93Å; L62-E198 HydrophobicContact CD1-CG 3.89Å; L62-E198 HydrophobicContact CD2-CB 4.34Å
63	P	93.2	Very high	90.9	Very high	15 Å²	15	73.8 Å²	73.8	10%	0.097	39%	0.386	C	S	.	.	S	Bend	trans	-60.5	-34.7	177.6	-23.9	30.7	0	0	0	114.5	M68 D101 W127	P63-M68 HydrophobicContact CB-CE 3.74Å; P63-M68 HydrophobicContact CB-SD 3.62Å; P63-M68 HydrophobicContact CG-CE 3.6Å; P63-M68 HydrophobicContact CG-CG 4.39Å; P63-M68 HydrophobicContact CG-SD 3.81Å; P63-D101 HydrophobicContact CB-CB 3.96Å; P63-D101 HydrophobicContact CG-CB 4.18Å; P63-W127 VanDerWaalsContact CD-CD2 3.45Å; P63-W127 HydrophobicContact CG-CB 4.5Å; P63-W127 HydrophobicContact CG-CD2 3.78Å; P63-W127 HydrophobicContact CG-CE3 3.49Å; P63-W127 VanDerWaalsContact CG-CE3 3.49Å; P63-W127 HydrophobicContact CG-CG 4.21Å; P63-W127 HydrophobicContact CG-CZ3 4.03Å
64	K	92.5	Very high	91.7	Very high	63 Å²	63	66.1 Å²	66.1	27%	0.274	35%	0.345	S	S	.	.	S	Bend	trans	-123.2	143.2	178.5	-63.8	177.9	-177.6	179	0	110.1	L62 N66 M68 E100 P102	L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.41Å; K64-N66 VanDerWaalsContact C-N 3.32Å; K64-N66 PolarHBondContact O-N 3.48Å; K64-M68 HydrophobicContact CB-SD 3.7Å; K64-M68 HydrophobicContact CD-SD 4Å; K64-M68 HydrophobicContact CG-SD 3.74Å; K64-E100 WeakPolarHBondContact CE-O 3.42Å; K64-E100 IonicContact NZ-OE2 2.79Å; K64-E100 PolarHBondContact NZ-OE2 3.37Å; K64-P102 HydrophobicContact CG-CG 4.16Å
65	P	89.5	Confident	92.3	Very high	126 Å²	126	61.6 Å²	61.6	82%	0.818	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.9	-178.9	27.9	-34.7	0	0	0	113.9	G67	P65-G67 VanDerWaalsContact C-N 3.33Å
66	N	90.8	Very high	93	Very high	155 Å²	155	58.3 Å²	58.3	83%	0.829	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	21.3	-175.9	-62.4	-6.2	0	0	0	112.9	K64	K64-N66 VanDerWaalsContact C-N 3.32Å; K64-N66 PolarHBondContact O-N 3.48Å
67	G	92.9	Very high	93.4	Very high	15 Å²	15	58 Å²	58	16%	0.155	28%	0.282	C	S	.	.			trans	83.4	171.6	-172.7	0	0	0	0	0	113.9	P65 A197 E198	P65-G67 VanDerWaalsContact C-N 3.33Å; G67-A197 WeakPolarHBondContact CA-O 3.37Å; G67-E198 CarbonylContact C-O 3.54Å; G67-E198 WeakPolarHBondContact CA-O 3.4Å
68	M	95.1	Very high	93.5	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134	-171.5	-66.4	-63.2	-64.2	0	0	109.7	L62 P63 K64 W99 E100 W127 E198 V199 H200	L62-M68 HydrophobicContact CD2-CG 4.2Å; P63-M68 HydrophobicContact CB-CE 3.74Å; P63-M68 HydrophobicContact CB-SD 3.62Å; P63-M68 HydrophobicContact CG-CE 3.6Å; P63-M68 HydrophobicContact CG-CG 4.39Å; P63-M68 HydrophobicContact CG-SD 3.81Å; K64-M68 HydrophobicContact CB-SD 3.7Å; K64-M68 HydrophobicContact CD-SD 4Å; K64-M68 HydrophobicContact CG-SD 3.74Å; M68-W99 HydrophobicContact CE-CB 4.13Å; M68-W99 HydrophobicContact CE-CG 4.33Å; M68-E100 WeakPolarHBondContact CE-O 3.48Å; M68-W127 HydrophobicContact CB-CH2 4.08Å; M68-W127 HydrophobicContact CE-CZ3 4.17Å; M68-W127 HydrophobicContact CG-CH2 3.9Å; M68-W127 HydrophobicContact CG-CZ2 4.4Å; M68-W127 HydrophobicContact CG-CZ3 4.31Å; M68-E198 PolarHBondContact N-O 3.38Å; M68-V199 HydrophobicContact CB-CG2 4.46Å; M68-V199 CarbonylContact O-C 3.45Å; M68-V199 WeakPolarHBondContact O-CA 3.37Å; M68-H200 PolarHBondContact O-N 3.3Å
69	K	95.8	Very high	93.7	Very high	117 Å²	117	55.7 Å²	55.7	51%	0.509	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.9	169.3	-173.1	175.2	179.5	178	0	108.8	H200 V202	K69-H200 WeakPolarHBondContact CA-O 3.44Å; K69-V202 HydrophobicContact CD-CG2 4.47Å; K69-V202 HydrophobicContact CG-CG2 4.27Å
70	V	96.8	Very high	93.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.7	177.7	-178.2	0	0	0	0	107.9	V72 E97 W99 P129 V199 H200 M201 V202	V70-V72 HydrophobicContact CG1-CG2 4.17Å; V70-E97 HydrophobicContact CG1-CB 4.23Å; V70-W99 HydrophobicContact CG2-CB 4.25Å; V70-P129 HydrophobicContact CG1-CB 4.45Å; V70-P129 HydrophobicContact CG1-CG 4.22Å; V70-P129 HydrophobicContact CG2-CB 3.77Å; V70-P129 HydrophobicContact CG2-CG 4.27Å; V70-V199 HydrophobicContact CB-CG1 4.42Å; V70-V199 HydrophobicContact CG2-CG1 3.72Å; V70-H200 PolarHBondContact N-O 2.86Å; V70-M201 HydrophobicContact CB-CG 4.42Å; V70-M201 WeakPolarHBondContact O-CA 3.47Å; V70-V202 PolarHBondContact O-N 3.35Å
71	R	96.5	Very high	93.8	Very high	66 Å²	66	49.4 Å²	49.4	25%	0.249	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.6	176.4	-65.9	-177.3	-67.4	164.9	5.4	109.2	D15 E97 M98 V202	D15-R71 PolarHBondContact O-NH1 3.47Å; D15-R71 PolarHBondContact O-NH2 3.4Å; R71-E97 CarbonylContact O-C 3.51Å; R71-E97 WeakPolarHBondContact O-CA 3.36Å; R71-M98 PolarHBondContact N-O 3.45Å; R71-M98 PolarHBondContact NH2-SD 3.42Å; R71-M98 PolarHBondContact O-N 3.22Å; R71-V202 CarbonylContact C-O 3.54Å; R71-V202 WeakPolarHBondContact CA-O 3.47Å; R71-V202 HydrophobicContact CG-CG2 3.84Å
72	V	97.2	Very high	93.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.4	-174.8	-176.6	0	0	0	0	109.9	V70 I95 N96 F189 V202 W203 A204 L242	V70-V72 HydrophobicContact CG1-CG2 4.17Å; V72-I95 HydrophobicContact CG1-CD1 3.36Å; V72-I95 HydrophobicContact CG1-CG1 4.17Å; V72-N96 VanDerWaalsContact CA-O 3.28Å; V72-N96 WeakPolarHBondContact CA-O 3.42Å; V72-F189 HydrophobicContact CG1-CD1 4.08Å; V72-F189 HydrophobicContact CG1-CE1 4.09Å; V72-F189 HydrophobicContact CG2-CD1 4.46Å; V72-F189 HydrophobicContact CG2-CE1 4.24Å; V72-V202 PolarHBondContact N-O 2.98Å; V72-W203 HydrophobicContact CB-CE3 4.37Å; V72-W203 HydrophobicContact CB-CZ3 4.39Å; V72-W203 HydrophobicContact CG1-CE3 4.31Å; V72-W203 HydrophobicContact CG1-CZ3 3.84Å; V72-W203 CarbonylContact O-C 3.49Å; V72-W203 WeakPolarHBondContact O-CA 3.31Å; V72-A204 PolarHBondContact O-N 3.26Å; V72-L242 HydrophobicContact CB-CD1 3.7Å; V72-L242 HydrophobicContact CG1-CD1 4.29Å; V72-L242 HydrophobicContact CG2-CD1 3.78Å
73	D	95.9	Very high	93.9	Very high	9 Å²	9	43 Å²	43	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.7	165.8	77.5	-88.2	0	0	0	110.2	W16 W75 N96 A204 P208	W16-D73 WeakPolarHBondContact CH2-OD1 3.48Å; W16-D73 HydrophobicContact CZ2-CB 4.45Å; W16-D73 WeakPolarHBondContact CZ2-OD1 3.41Å; D73-W75 PolarHBondContact OD2-NE1 2.9Å; D73-N96 VanDerWaalsContact CG-CB 3.48Å; D73-N96 PolarHBondContact N-O 3.22Å; D73-N96 VanDerWaalsContact N-O 3.11Å; D73-N96 WeakPolarHBondContact O-CB 3.32Å; D73-N96 PolarHBondContact O-N 3.29Å; D73-N96 WeakPolarHBondContact OD1-CB 3.36Å; D73-N96 PolarHBondContact OD1-ND2 3.1Å; D73-N96 PolarHBondContact OD2-ND2 2.98Å; D73-A204 HydrophobicContact CB-CB 3.99Å; D73-P208 CarbonylContact C-O 3.54Å; D73-P208 WeakPolarHBondContact CA-O 3.46Å
74	T	95.9	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.2	-173.3	-60.2	0	0	0	0	111.3	L93 Y94 I95 P208 I209 S210 I244	T74-L93 HydrophobicContact CG2-CB 4.07Å; T74-L93 HydrophobicContact CG2-CD1 4.13Å; T74-L93 HydrophobicContact CG2-CD2 3.96Å; T74-L93 HydrophobicContact CG2-CG 4.29Å; T74-Y94 CarbonylContact C-O 3.59Å; T74-Y94 WeakPolarHBondContact CA-O 3.34Å; T74-I95 WeakPolarHBondContact OG1-CD1 3.35Å; T74-P208 PolarHBondContact N-O 3.45Å; T74-I209 WeakPolarHBondContact O-CA 3.41Å; T74-S210 PolarHBondContact O-N 3.16Å; T74-I244 HydrophobicContact CG2-CD1 3.72Å
75	W	95.3	Very high	93.5	Very high	80 Å²	80	44.9 Å²	44.9	30%	0.303	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.4	172.2	-50.2	-17.9	0	0	0	110.5	D73 Q77 L93 Y94 N96 W160 S210 L212	D73-W75 PolarHBondContact OD2-NE1 2.9Å; W75-Q77 PolarHBondContact O-N 3.04Å; W75-L93 CarbonylContact O-C 3.5Å; W75-L93 VanDerWaalsContact O-CA 3.3Å; W75-L93 WeakPolarHBondContact O-CA 3.4Å; W75-Y94 HydrophobicContact CB-CD2 4.48Å; W75-Y94 PolarHBondContact N-O 3.47Å; W75-Y94 PolarHBondContact O-N 3.41Å; W75-N96 WeakPolarHBondContact CZ2-ND2 3.42Å; W75-N96 PolarHBondContact NE1-ND2 3.33Å; W75-W160 HydrophobicContact CH2-CZ2 4.37Å; W75-S210 CarbonylContact C-O 3.53Å; W75-S210 VanDerWaalsContact CA-O 3.25Å; W75-S210 WeakPolarHBondContact CA-O 3.38Å; W75-L212 HydrophobicContact CB-CD1 3.55Å; W75-L212 HydrophobicContact CB-CG 3.96Å; W75-L212 HydrophobicContact CD2-CD1 4.07Å; W75-L212 HydrophobicContact CE3-CD1 3.84Å; W75-L212 HydrophobicContact CG-CD1 4Å; W75-L212 HydrophobicContact CG-CG 4.48Å
76	I	94.9	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.1	176.6	-61.2	158.8	0	0	0	107.9	I79 V91 I209 S210 I211 L212 V225 F246	I76-I79 HydrophobicContact CG2-CG1 4.19Å; I76-V91 HydrophobicContact CG2-CG2 4.27Å; I76-I209 HydrophobicContact CD1-CG2 3.51Å; I76-I209 HydrophobicContact CG1-CG2 4.27Å; I76-S210 PolarHBondContact N-O 3.01Å; I76-I211 HydrophobicContact CB-CG1 4.43Å; I76-I211 HydrophobicContact CD1-CG1 4.08Å; I76-L212 PolarHBondContact O-N 2.81Å; I76-V225 HydrophobicContact CD1-CG1 4.07Å; I76-V225 HydrophobicContact CD1-CG2 4.15Å; I76-F246 HydrophobicContact CD1-CD1 4.49Å; I76-F246 HydrophobicContact CD1-CE1 3.58Å; I76-F246 HydrophobicContact CD1-CZ 4.26Å; I76-F246 HydrophobicContact CG1-CE1 4.15Å
77	Q	93.1	Very high	93.8	Very high	54 Å²	54	38.7 Å²	38.7	25%	0.252	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-52.4	177.6	-177	171.1	32.1	0	0	110.6	W75 D92 Y94 G213	W75-Q77 PolarHBondContact O-N 3.04Å; Q77-D92 HydrophobicContact CB-CB 4.38Å; Q77-D92 WeakPolarHBondContact CB-O 3.33Å; Q77-D92 PolarHBondContact N-O 2.96Å; Q77-Y94 HydrophobicContact CB-CD2 4.3Å; Q77-Y94 HydrophobicContact CB-CE2 3.97Å; Q77-Y94 HydrophobicContact CG-CE2 4.24Å; Q77-G213 WeakPolarHBondContact O-CA 3.49Å; Q77-G213 PolarHBondContact O-N 2.77Å
78	A	92.8	Very high	93.9	Very high	28 Å²	28	39 Å²	39	23%	0.231	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.1	179.9	0	0	0	0	0	110.3	V91 D92	A78-V91 WeakPolarHBondContact O-CG2 3.41Å; A78-D92 PolarHBondContact N-O 2.93Å; A78-D92 PolarHBondContact O-N 3.24Å
79	I	93.4	Very high	93.9	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.8	167.5	-56.2	169.9	0	0	0	105.2	I76 V91 L217 L222 F246 F248	I76-I79 HydrophobicContact CG2-CG1 4.19Å; I79-V91 HydrophobicContact CG1-CG2 4.2Å; I79-L217 HydrophobicContact CB-CD1 4.43Å; I79-L217 HydrophobicContact CG2-CD1 3.92Å; I79-L217 HydrophobicContact CG2-CD2 4.28Å; I79-L217 VanDerWaalsContact O-CD2 3.31Å; I79-L217 WeakPolarHBondContact O-CD2 3.38Å; I79-L222 HydrophobicContact CD1-CD1 4.09Å; I79-L222 HydrophobicContact CD1-CD2 3.95Å; I79-L222 HydrophobicContact CD1-CG 4.49Å; I79-F246 HydrophobicContact CD1-CD1 4.11Å; I79-F246 HydrophobicContact CD1-CE1 4.39Å; I79-F248 HydrophobicContact CD1-CE1 3.72Å; I79-F248 HydrophobicContact CD1-CZ 3.89Å; I79-F248 HydrophobicContact CG2-CE1 4.18Å; I79-F248 HydrophobicContact CG2-CZ 4.05Å
80	T	91.4	Very high	93.9	Very high	69 Å²	69	35.5 Å²	35.5	42%	0.423	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-49.8	-165.1	-60.8	0	0	0	0	111.4	E90	T80-E90 PolarHBondContact N-O 3.46Å
81	S	92.1	Very high	93.8	Very high	40 Å²	40	35.5 Å²	35.5	28%	0.28	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	155.6	-176.3	66.3	0	0	0	0	110.9	F89 E90	S81-F89 CarbonylContact O-C 3.59Å; S81-F89 VanDerWaalsContact O-CA 3.31Å; S81-F89 WeakPolarHBondContact O-CA 3.46Å; S81-E90 PolarHBondContact O-N 3.49Å
82	I	93.5	Very high	93.8	Very high	22 Å²	22	33.4 Å²	33.4	11%	0.113	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.4	168.8	-60.3	176.6	0	0	0	105.7	F89 M173 L217 F220 F248	I82-F89 HydrophobicContact CG1-CB 4Å; I82-M173 HydrophobicContact CG2-CE 3.51Å; I82-L217 HydrophobicContact CD1-CD1 3.54Å; I82-L217 HydrophobicContact CG1-CD1 4.03Å; I82-F220 HydrophobicContact CB-CD2 4.04Å; I82-F220 HydrophobicContact CB-CE2 4.04Å; I82-F220 HydrophobicContact CD1-CB 4.08Å; I82-F220 HydrophobicContact CD1-CD2 3.97Å; I82-F220 HydrophobicContact CD1-CG 3.96Å; I82-F220 HydrophobicContact CG2-CD2 4.32Å; I82-F220 HydrophobicContact CG2-CE2 3.94Å; I82-F220 HydrophobicContact CG2-CZ 4.26Å; I82-F248 HydrophobicContact CD1-CB 4.15Å; I82-F248 HydrophobicContact CD1-CD1 3.49Å; I82-F248 VanDerWaalsContact CD1-CD1 3.49Å; I82-F248 HydrophobicContact CD1-CD2 3.6Å; I82-F248 HydrophobicContact CD1-CE1 3.62Å; I82-F248 HydrophobicContact CD1-CE2 3.71Å; I82-F248 HydrophobicContact CD1-CG 3.46Å; I82-F248 VanDerWaalsContact CD1-CG 3.46Å; I82-F248 HydrophobicContact CD1-CZ 3.72Å; I82-F248 HydrophobicContact CG1-CZ 4.49Å
83	S	92.3	Very high	93.7	Very high	27 Å²	27	33.4 Å²	33.4	19%	0.189	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.3	-175.2	171.4	0	0	0	0	111	S85 T86 Q87 D88 M173	S83-S85 VanDerWaalsContact C-N 3.32Å; S83-S85 PolarHBondContact OG-OG 2.97Å; S83-T86 WeakPolarHBondContact CB-OG1 3.49Å; S83-T86 PolarHBondContact OG-N 3.35Å; S83-T86 PolarHBondContact OG-OG1 3.14Å; S83-Q87 WeakPolarHBondContact O-CA 3.29Å; S83-Q87 PolarHBondContact O-N 3.26Å; S83-D88 PolarHBondContact N-O 3.36Å; S83-D88 PolarHBondContact O-N 3.24Å; S83-M173 VanDerWaalsContact C-CE 3.49Å; S83-M173 WeakPolarHBondContact O-CE 3.3Å
84	E	90.1	Very high	93.7	Very high	25 Å²	25	35.3 Å²	35.3	12%	0.117	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.1	175.5	-67.3	168.5	-116.7	0	0	112.6	M173 R250 P307	E84-M173 VanDerWaalsContact CA-SD 3.51Å; E84-M173 HydrophobicContact CB-SD 3.93Å; E84-M173 HydrophobicContact CG-CE 4.21Å; E84-M173 HydrophobicContact CG-SD 3.47Å; E84-M173 WeakPolarHBondContact CG-SD 3.35Å; E84-R250 VanDerWaalsContact CD-NH1 3.31Å; E84-R250 IonicContact OE1-CZ 2.83Å; E84-R250 IonicContact OE1-NH1 3.45Å; E84-R250 PolarHBondContact OE1-NH1 3.08Å; E84-R250 IonicContact OE1-NH2 3.49Å; E84-R250 PolarHBondContact OE1-NH2 2.87Å; E84-R250 IonicContact OE2-CZ 3.35Å; E84-R250 IonicContact OE2-NH1 3.79Å; E84-R250 PolarHBondContact OE2-NH1 3.48Å; E84-R250 IonicContact OE2-NH2 2.75Å; E84-R250 PolarHBondContact OE2-NH2 3.04Å; E84-P307 HydrophobicContact CB-CG 4.01Å; E84-P307 WeakPolarHBondContact O-CG 3.45Å
85	S	89	Confident	93.8	Very high	93 Å²	93	35.5 Å²	35.5	65%	0.65	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-41.9	180	40.2	0	0	0	0	113.2	S83	S83-S85 VanDerWaalsContact C-N 3.32Å; S83-S85 PolarHBondContact OG-OG 2.97Å
86	T	92	Very high	93.9	Very high	74 Å²	74	31.7 Å²	31.7	45%	0.454	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-6.3	-177.7	46.6	0	0	0	0	112.6	S83 D88 K137	S83-T86 WeakPolarHBondContact CB-OG1 3.49Å; S83-T86 PolarHBondContact OG-N 3.35Å; S83-T86 PolarHBondContact OG-OG1 3.14Å; T86-D88 WeakPolarHBondContact CB-OD1 3.42Å; T86-D88 WeakPolarHBondContact CB-OD2 3.38Å; T86-D88 VanDerWaalsContact OG1-CG 3.28Å; T86-D88 PolarHBondContact OG1-OD1 3.18Å; T86-D88 PolarHBondContact OG1-OD2 3.17Å; T86-K137 PolarHBondContact O-NZ 3.48Å
87	Q	92.9	Very high	94	Very high	77 Å²	77	31.8 Å²	31.8	36%	0.36	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	49.9	-179.4	-61.5	-175.1	-37.4	0	0	111.8	S83 K137 C171	S83-Q87 WeakPolarHBondContact O-CA 3.29Å; S83-Q87 PolarHBondContact O-N 3.26Å; Q87-K137 PolarHBondContact O-NZ 3.31Å; Q87-C171 CarbonylContact C-O 3.58Å; Q87-C171 WeakPolarHBondContact CB-O 3.42Å; Q87-C171 PolarHBondContact O-N 3.37Å
88	D	95.7	Very high	94.1	Very high	21 Å²	21	29.3 Å²	29.3	11%	0.112	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.4	176.8	42.8	38.8	0	0	0	112.3	S83 T86 K137 T168 G169	S83-D88 PolarHBondContact N-O 3.36Å; S83-D88 PolarHBondContact O-N 3.24Å; T86-D88 WeakPolarHBondContact CB-OD1 3.42Å; T86-D88 WeakPolarHBondContact CB-OD2 3.38Å; T86-D88 VanDerWaalsContact OG1-CG 3.28Å; T86-D88 PolarHBondContact OG1-OD1 3.18Å; T86-D88 PolarHBondContact OG1-OD2 3.17Å; D88-K137 HydrophobicContact CB-CD 4.04Å; D88-K137 IonicContact OD2-NZ 2.7Å; D88-K137 PolarHBondContact OD2-NZ 3.46Å; D88-T168 HydrophobicContact CB-CG2 3.92Å; D88-G169 CarbonylContact C-O 3.56Å; D88-G169 WeakPolarHBondContact CA-O 3.35Å; D88-G169 WeakPolarHBondContact CB-O 3.29Å
89	F	95.7	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147	172.5	74	-73.4	0	0	0	110	S81 I82 V91 T168 G169 C171 C185 L187 F246	S81-F89 CarbonylContact O-C 3.59Å; S81-F89 VanDerWaalsContact O-CA 3.31Å; S81-F89 WeakPolarHBondContact O-CA 3.46Å; I82-F89 HydrophobicContact CG1-CB 4Å; F89-V91 HydrophobicContact CD2-CB 4.31Å; F89-V91 HydrophobicContact CD2-CG1 4.43Å; F89-V91 HydrophobicContact CE2-CB 4.12Å; F89-V91 HydrophobicContact CE2-CG1 3.91Å; F89-T168 CarbonylContact O-C 3.59Å; F89-T168 WeakPolarHBondContact O-CA 3.42Å; F89-G169 VanDerWaalsContact CD1-O 3.28Å; F89-G169 WeakPolarHBondContact CD1-O 3.48Å; F89-G169 PolarHBondContact N-O 3.22Å; F89-G169 PolarHBondContact O-N 2.99Å; F89-C171 HydrophobicContact CD1-CB 4.19Å; F89-C185 HydrophobicContact CD1-CB 3.44Å; F89-C185 VanDerWaalsContact CD1-CB 3.44Å; F89-C185 HydrophobicContact CE1-CB 3.36Å; F89-C185 HydrophobicContact CG-CB 4.09Å; F89-C185 HydrophobicContact CZ-CB 3.94Å; F89-L187 HydrophobicContact CE1-CG 4.31Å; F89-L187 HydrophobicContact CE2-CD1 4.09Å; F89-L187 HydrophobicContact CZ-CD1 3.74Å; F89-L187 HydrophobicContact CZ-CD2 4.47Å; F89-L187 HydrophobicContact CZ-CG 3.67Å; F89-F246 AromaticContact CE2-CD2 3.62Å; F89-F246 HydrophobicContact CE2-CD2 3.62Å; F89-F246 AromaticContact CE2-CE2 3.68Å; F89-F246 HydrophobicContact CE2-CE2 3.68Å; F89-F246 HydrophobicContact CE2-CG 4.25Å; F89-F246 HydrophobicContact CE2-CZ 4.33Å; F89-F246 AromaticContact CZ-CD2 3.63Å; F89-F246 HydrophobicContact CZ-CD2 3.63Å; F89-F246 AromaticContact CZ-CE2 3.77Å; F89-F246 HydrophobicContact CZ-CE2 3.77Å
90	E	95.4	Very high	94.3	Very high	50 Å²	50	30.6 Å²	30.6	23%	0.234	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	175.8	-69.7	-175.7	-150.1	0	0	110.1	T80 S81 K166 L167 T168	T80-E90 PolarHBondContact N-O 3.46Å; S81-E90 PolarHBondContact O-N 3.49Å; E90-K166 WeakPolarHBondContact OE2-CE 3.39Å; E90-K166 IonicContact OE2-NZ 3.96Å; E90-K166 PolarHBondContact OE2-NZ 3.46Å; E90-L167 CarbonylContact C-O 3.57Å; E90-L167 WeakPolarHBondContact CA-O 3.48Å; E90-T168 HydrophobicContact CG-CG2 4.42Å
91	V	95.5	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.6	177.8	63.2	0	0	0	0	110.6	I76 A78 I79 F89 L93 L167 L187 F246	I76-V91 HydrophobicContact CG2-CG2 4.27Å; A78-V91 WeakPolarHBondContact O-CG2 3.41Å; I79-V91 HydrophobicContact CG1-CG2 4.2Å; F89-V91 HydrophobicContact CD2-CB 4.31Å; F89-V91 HydrophobicContact CD2-CG1 4.43Å; F89-V91 HydrophobicContact CE2-CB 4.12Å; F89-V91 HydrophobicContact CE2-CG1 3.91Å; V91-L93 HydrophobicContact CG1-CD2 4.21Å; V91-L93 HydrophobicContact CG2-CD2 4.47Å; V91-L167 HydrophobicContact CG1-CB 3.92Å; V91-L167 HydrophobicContact CG1-CD1 4.47Å; V91-L167 PolarHBondContact N-O 2.87Å; V91-L167 PolarHBondContact O-N 3.44Å; V91-L187 HydrophobicContact CG1-CD1 3.54Å; V91-F246 HydrophobicContact CG2-CE1 4.5Å; V91-F246 HydrophobicContact CG2-CZ 4.33Å
92	D	95.1	Very high	94.5	Very high	22 Å²	22	28 Å²	28	12%	0.118	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.9	167.6	-76.2	-44.5	0	0	0	108.4	Q77 A78 H142 K166	Q77-D92 HydrophobicContact CB-CB 4.38Å; Q77-D92 WeakPolarHBondContact CB-O 3.33Å; Q77-D92 PolarHBondContact N-O 2.96Å; A78-D92 PolarHBondContact N-O 2.93Å; A78-D92 PolarHBondContact O-N 3.24Å; D92-H142 IonicContact OD1-CD2 2.89Å; D92-H142 IonicContact OD1-CE1 3.26Å; D92-H142 IonicContact OD1-NE2 3.11Å; D92-H142 PolarHBondContact OD1-NE2 3.05Å; D92-K166 VanDerWaalsContact OD1-CA 3.31Å; D92-K166 WeakPolarHBondContact OD1-CA 3.42Å; D92-K166 WeakPolarHBondContact OD1-CB 3.2Å; D92-K166 WeakPolarHBondContact OD1-CG 3.48Å
93	L	96.1	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.1	-179.7	63.1	77.3	0	0	0	112	T74 W75 V91 I95 F133 V165 L167 L187	T74-L93 HydrophobicContact CG2-CB 4.07Å; T74-L93 HydrophobicContact CG2-CD1 4.13Å; T74-L93 HydrophobicContact CG2-CD2 3.96Å; T74-L93 HydrophobicContact CG2-CG 4.29Å; W75-L93 CarbonylContact O-C 3.5Å; W75-L93 VanDerWaalsContact O-CA 3.3Å; W75-L93 WeakPolarHBondContact O-CA 3.4Å; V91-L93 HydrophobicContact CG1-CD2 4.21Å; V91-L93 HydrophobicContact CG2-CD2 4.47Å; L93-I95 HydrophobicContact CD1-CB 4.09Å; L93-F133 HydrophobicContact CD1-CE2 4.22Å; L93-F133 HydrophobicContact CD1-CZ 4.06Å; L93-F133 HydrophobicContact CD2-CZ 4.22Å; L93-V165 PolarHBondContact N-O 3.06Å; L93-V165 PolarHBondContact O-N 3.01Å; L93-L167 HydrophobicContact CD1-CD1 4.06Å; L93-L167 HydrophobicContact CD2-CD1 3.63Å; L93-L167 HydrophobicContact CG-CD1 3.84Å; L93-L187 HydrophobicContact CD2-CD1 4.45Å
94	Y	96.6	Very high	94.3	Very high	50 Å²	50	29.8 Å²	29.8	20%	0.196	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.4	165.1	-62.3	-98.9	0	0	0	108.4	T74 W75 Q77 N162 Y163 R164	T74-Y94 CarbonylContact C-O 3.59Å; T74-Y94 WeakPolarHBondContact CA-O 3.34Å; W75-Y94 HydrophobicContact CB-CD2 4.48Å; W75-Y94 PolarHBondContact N-O 3.47Å; W75-Y94 PolarHBondContact O-N 3.41Å; Q77-Y94 HydrophobicContact CB-CD2 4.3Å; Q77-Y94 HydrophobicContact CB-CE2 3.97Å; Q77-Y94 HydrophobicContact CG-CE2 4.24Å; Y94-N162 WeakPolarHBondContact CD1-OD1 3.36Å; Y94-Y163 CarbonylContact C-O 3.55Å; Y94-Y163 VanDerWaalsContact CA-O 3.26Å; Y94-Y163 WeakPolarHBondContact CA-O 3.23Å; Y94-R164 HydrophobicContact CD1-CB 3.71Å; Y94-R164 HydrophobicContact CD1-CG 3.94Å; Y94-R164 HydrophobicContact CE1-CB 3.53Å; Y94-R164 HydrophobicContact CE1-CG 3.51Å; Y94-R164 HydrophobicContact CE2-CG 4.22Å; Y94-R164 HydrophobicContact CG-CG 4.49Å; Y94-R164 WeakPolarHBondContact OH-CD 3.23Å; Y94-R164 PolarHBondContact OH-NE 3.29Å
95	I	96.7	Very high	94.4	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.9	173.5	-172.9	69.2	0	0	0	108.2	V72 T74 L93 F133 N162 Y163 V165 F189	V72-I95 HydrophobicContact CG1-CD1 3.36Å; V72-I95 HydrophobicContact CG1-CG1 4.17Å; T74-I95 WeakPolarHBondContact OG1-CD1 3.35Å; L93-I95 HydrophobicContact CD1-CB 4.09Å; I95-F133 HydrophobicContact CD1-CZ 4.43Å; I95-N162 CarbonylContact O-C 3.47Å; I95-N162 VanDerWaalsContact O-CA 3.3Å; I95-N162 WeakPolarHBondContact O-CA 3.42Å; I95-Y163 HydrophobicContact CG2-CD2 3.93Å; I95-Y163 HydrophobicContact CG2-CG 4.28Å; I95-Y163 PolarHBondContact N-O 3.25Å; I95-Y163 PolarHBondContact O-N 3.35Å; I95-V165 HydrophobicContact CG2-CG2 4.18Å; I95-F189 HydrophobicContact CD1-CD1 4.31Å; I95-F189 HydrophobicContact CD1-CE1 4.15Å; I95-F189 HydrophobicContact CD1-CZ 4.29Å; I95-F189 HydrophobicContact CG1-CE1 3.95Å; I95-F189 HydrophobicContact CG1-CE2 4.09Å; I95-F189 HydrophobicContact CG1-CZ 3.68Å
96	N	96.8	Very high	94.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.4	177.5	-72.5	-63.1	0	0	0	109	W16 V72 D73 W75 W160 T161 N162	W16-N96 HydrophobicContact CH2-CB 4.4Å; V72-N96 VanDerWaalsContact CA-O 3.28Å; V72-N96 WeakPolarHBondContact CA-O 3.42Å; D73-N96 VanDerWaalsContact CG-CB 3.48Å; D73-N96 PolarHBondContact N-O 3.22Å; D73-N96 VanDerWaalsContact N-O 3.11Å; D73-N96 WeakPolarHBondContact O-CB 3.32Å; D73-N96 PolarHBondContact O-N 3.29Å; D73-N96 WeakPolarHBondContact OD1-CB 3.36Å; D73-N96 PolarHBondContact OD1-ND2 3.1Å; D73-N96 PolarHBondContact OD2-ND2 2.98Å; W75-N96 WeakPolarHBondContact CZ2-ND2 3.42Å; W75-N96 PolarHBondContact NE1-ND2 3.33Å; N96-W160 PolarHBondContact OD1-NE1 3.49Å; N96-T161 CarbonylContact C-O 3.35Å; N96-T161 WeakPolarHBondContact CA-O 3.31Å; N96-N162 WeakPolarHBondContact OD1-CB 3.26Å; N96-N162 PolarHBondContact OD1-ND2 3Å
97	E	96.9	Very high	94.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138	174.3	-44.5	-179.4	127	0	0	109.5	V70 R71 W99 T131 W160 T161 F189	V70-E97 HydrophobicContact CG1-CB 4.23Å; R71-E97 CarbonylContact O-C 3.51Å; R71-E97 WeakPolarHBondContact O-CA 3.36Å; E97-W99 HydrophobicContact CB-CE3 4.35Å; E97-W99 HydrophobicContact CB-CZ3 4.08Å; E97-T131 VanDerWaalsContact OE1-CB 3.22Å; E97-T131 WeakPolarHBondContact OE1-CB 3.45Å; E97-T131 VanDerWaalsContact OE1-CG2 3.29Å; E97-T131 WeakPolarHBondContact OE1-CG2 3.49Å; E97-T131 PolarHBondContact OE1-OG1 3.01Å; E97-W160 WeakPolarHBondContact O-CA 2.98Å; E97-T161 WeakPolarHBondContact CB-OG1 3.15Å; E97-T161 PolarHBondContact N-O 2.86Å; E97-T161 PolarHBondContact O-N 3.34Å; E97-T161 PolarHBondContact OE2-OG1 2.98Å; E97-F189 WeakPolarHBondContact OE1-CE1 3.24Å; E97-F189 VanDerWaalsContact OE1-CZ 3.22Å; E97-F189 WeakPolarHBondContact OE1-CZ 3.49Å
98	M	95.9	Very high	94.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.6	177.4	-176.7	175.5	-89.7	0	0	111.5	W16 P17 R71 Y154 V159 W160	W16-M98 HydrophobicContact CE3-CE 3.29Å; W16-M98 HydrophobicContact CE3-SD 3.72Å; W16-M98 HydrophobicContact CH2-CB 3.93Å; W16-M98 HydrophobicContact CH2-SD 4.46Å; W16-M98 HydrophobicContact CZ3-CB 3.74Å; W16-M98 HydrophobicContact CZ3-CE 3.32Å; W16-M98 HydrophobicContact CZ3-CG 4.25Å; W16-M98 HydrophobicContact CZ3-SD 3.65Å; P17-M98 HydrophobicContact CG-CE 4.24Å; R71-M98 PolarHBondContact N-O 3.45Å; R71-M98 PolarHBondContact NH2-SD 3.42Å; R71-M98 PolarHBondContact O-N 3.22Å; M98-Y154 HydrophobicContact CE-CD2 4.35Å; M98-Y154 HydrophobicContact CE-CE2 3.71Å; M98-V159 VanDerWaalsContact CA-O 3.27Å; M98-V159 WeakPolarHBondContact CA-O 3.48Å; M98-W160 HydrophobicContact CE-CB 3.79Å; M98-W160 HydrophobicContact CE-CG 4.15Å
99	W	96	Very high	93.8	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	171	174	66.3	94.6	0	0	0	110.6	M68 V70 E97 W127 T128 P129 S158 V159 T161	M68-W99 HydrophobicContact CE-CB 4.13Å; M68-W99 HydrophobicContact CE-CG 4.33Å; V70-W99 HydrophobicContact CG2-CB 4.25Å; E97-W99 HydrophobicContact CB-CE3 4.35Å; E97-W99 HydrophobicContact CB-CZ3 4.08Å; W99-W127 AromaticContact CD1-CZ3 3.87Å; W99-W127 HydrophobicContact CD2-CZ3 4.49Å; W99-W127 HydrophobicContact CG-CZ3 4.22Å; W99-W127 WeakPolarHBondContact CZ2-O 3.32Å; W99-W127 AromaticContact NE1-CE3 3.81Å; W99-W127 AromaticContact NE1-CZ3 3.91Å; W99-T128 HydrophobicContact CH2-CG2 4.46Å; W99-P129 HydrophobicContact CE3-CG 4.3Å; W99-P129 HydrophobicContact CZ3-CG 4.22Å; W99-S158 CarbonylContact O-C 3.57Å; W99-S158 VanDerWaalsContact O-CA 3.28Å; W99-S158 WeakPolarHBondContact O-CA 3.33Å; W99-V159 HydrophobicContact CD2-CB 4.11Å; W99-V159 HydrophobicContact CH2-CB 4.37Å; W99-V159 HydrophobicContact CH2-CG1 3.81Å; W99-V159 HydrophobicContact CZ2-CB 3.81Å; W99-V159 HydrophobicContact CZ2-CG1 3.5Å; W99-V159 HydrophobicContact CZ2-CG2 4.42Å; W99-V159 HydrophobicContact CZ3-CG1 4.45Å; W99-V159 PolarHBondContact N-O 3.43Å; W99-V159 VanDerWaalsContact N-O 3.13Å; W99-V159 PolarHBondContact O-N 3.42Å; W99-T161 HydrophobicContact CH2-CG2 3.57Å; W99-T161 HydrophobicContact CZ3-CG2 3.96Å; W99-T161 WeakPolarHBondContact CZ3-OG1 3.38Å
100	E	95	Very high	93.4	Very high	60 Å²	60	36.4 Å²	36.4	28%	0.28	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.1	179.1	-172.9	-164.8	177.4	0	0	110.7	K64 M68 P102 R105	K64-E100 WeakPolarHBondContact CE-O 3.42Å; K64-E100 IonicContact NZ-OE2 2.79Å; K64-E100 PolarHBondContact NZ-OE2 3.37Å; M68-E100 WeakPolarHBondContact CE-O 3.48Å; E100-P102 WeakPolarHBondContact O-CD 3.22Å; E100-R105 IonicContact OE1-NH2 3.49Å; E100-R105 PolarHBondContact OE1-NH2 3.16Å
101	D	94.7	Very high	93	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.			trans	-106.8	103.5	172.3	-171.2	-20.5	0	0	0	109.8	Y57 P63 R103 L104 G157 V159	Y57-D101 WeakPolarHBondContact CE2-OD2 3.45Å; Y57-D101 PolarHBondContact OH-OD2 3.01Å; P63-D101 HydrophobicContact CB-CB 3.96Å; P63-D101 HydrophobicContact CG-CB 4.18Å; D101-R103 PolarHBondContact O-N 3.07Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 WeakPolarHBondContact OD1-CB 3.49Å; D101-R103 WeakPolarHBondContact OD1-CG 3.49Å; D101-R103 IonicContact OD1-CZ 2.79Å; D101-R103 PolarHBondContact OD1-N 3.19Å; D101-R103 IonicContact OD1-NE 4Å; D101-R103 PolarHBondContact OD1-NE 3.14Å; D101-R103 IonicContact OD1-NH2 2.79Å; D101-R103 IonicContact OD2-CZ 3.74Å; D101-R103 IonicContact OD2-NE 2.68Å; D101-R103 PolarHBondContact OD2-NE 3.11Å; D101-R103 IonicContact OD2-NH2 2.93Å; D101-R103 PolarHBondContact OD2-NH2 3.42Å; D101-L104 HydrophobicContact CB-CB 4.34Å; D101-L104 HydrophobicContact CB-CD1 3.85Å; D101-L104 HydrophobicContact CB-CG 4.04Å; D101-L104 PolarHBondContact O-N 3Å; D101-G157 PolarHBondContact N-O 3.11Å; D101-G157 WeakPolarHBondContact O-CA 3.34Å; D101-V159 HydrophobicContact CB-CG2 4.49Å
102	P	92.7	Very high	92.5	Very high	54 Å²	54	36 Å²	36	35%	0.351	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-59.2	-22.9	179.7	-24.6	34.8	0	0	0	114	K64 E100 L104 R105	K64-P102 HydrophobicContact CG-CG 4.16Å; E100-P102 WeakPolarHBondContact O-CD 3.22Å; P102-L104 PolarHBondContact O-N 3.37Å; P102-R105 WeakPolarHBondContact O-CB 3.45Å; P102-R105 PolarHBondContact O-N 3.47Å
103	R	91.1	Very high	92	Very high	83 Å²	83	37.7 Å²	37.7	31%	0.313	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-73.6	-18.7	179.1	-52	169.8	-65.8	-176.6	4.1	112	Y57 N58 K61 D101	Y57-R103 HydrophobicContact CD2-CB 4.01Å; Y57-R103 HydrophobicContact CE2-CB 4.07Å; Y57-R103 PolarHBondContact OH-NH2 2.96Å; N58-R103 PolarHBondContact O-NH1 2.96Å; N58-R103 VanDerWaalsContact O-NH1 3.14Å; K61-R103 PolarHBondContact O-NH1 2.7Å; K61-R103 VanDerWaalsContact O-NH1 3.13Å; K61-R103 PolarHBondContact O-NH2 2.83Å; D101-R103 PolarHBondContact O-N 3.07Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 WeakPolarHBondContact OD1-CB 3.49Å; D101-R103 WeakPolarHBondContact OD1-CG 3.49Å; D101-R103 IonicContact OD1-CZ 2.79Å; D101-R103 PolarHBondContact OD1-N 3.19Å; D101-R103 IonicContact OD1-NE 4Å; D101-R103 PolarHBondContact OD1-NE 3.14Å; D101-R103 IonicContact OD1-NH2 2.79Å; D101-R103 IonicContact OD2-CZ 3.74Å; D101-R103 IonicContact OD2-NE 2.68Å; D101-R103 PolarHBondContact OD2-NE 3.11Å; D101-R103 IonicContact OD2-NH2 2.93Å; D101-R103 PolarHBondContact OD2-NH2 3.42Å
104	L	91.6	Very high	91.5	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-96.5	6.9	177.2	-60	175.9	0	0	0	112.5	L49 Y57 D101 P102 F106 L126 I153 V159	L49-L104 HydrophobicContact CG-CD2 4.45Å; Y57-L104 HydrophobicContact CD2-CD2 4.26Å; Y57-L104 HydrophobicContact CE2-CD2 3.82Å; Y57-L104 HydrophobicContact CE2-CG 4.09Å; D101-L104 HydrophobicContact CB-CB 4.34Å; D101-L104 HydrophobicContact CB-CD1 3.85Å; D101-L104 HydrophobicContact CB-CG 4.04Å; D101-L104 PolarHBondContact O-N 3Å; P102-L104 PolarHBondContact O-N 3.37Å; L104-F106 WeakPolarHBondContact O-CD1 3.35Å; L104-F106 PolarHBondContact O-N 2.84Å; L104-L126 HydrophobicContact CD1-CD1 4.43Å; L104-L126 HydrophobicContact CD1-CD2 3.87Å; L104-L126 HydrophobicContact CD2-CD2 3.78Å; L104-L126 HydrophobicContact CG-CD2 4.48Å; L104-I153 HydrophobicContact CB-CG2 4.28Å; L104-I153 HydrophobicContact CD1-CD1 4.25Å; L104-V159 HydrophobicContact CD1-CG2 3.62Å
105	R	91.3	Very high	91.2	Very high	107 Å²	107	38.5 Å²	38.5	40%	0.404	19%	0.189	S	C	.	.			trans	-71.2	126.7	177.9	-175.4	177.4	-66.3	175.5	-0.6	110.8	E100 P102 D107 H108 N155 N156	E100-R105 IonicContact OE1-NH2 3.49Å; E100-R105 PolarHBondContact OE1-NH2 3.16Å; P102-R105 WeakPolarHBondContact O-CB 3.45Å; P102-R105 PolarHBondContact O-N 3.47Å; R105-D107 HydrophobicContact CG-CB 4.35Å; R105-H108 PolarHBondContact O-CE1 3.16Å; R105-H108 VanDerWaalsContact O-CE1 3.28Å; R105-H108 PolarHBondContact O-ND1 3.35Å; R105-N155 VanDerWaalsContact CG-O 3.3Å; R105-N155 WeakPolarHBondContact CG-O 3.46Å; R105-N156 PolarHBondContact NE-O 2.9Å; R105-N156 PolarHBondContact NH2-O 3.06Å
106	F	90.6	Very high	90.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	-124.7	11.3	-178	60.8	-94.9	0	0	0	113.9	V45 L49 L104 H108 L109 P111 M116 I153 Y154 N155	V45-F106 HydrophobicContact CG1-CB 3.84Å; V45-F106 HydrophobicContact CG1-CD1 4.45Å; V45-F106 HydrophobicContact CG1-CD2 3.7Å; V45-F106 HydrophobicContact CG1-CE2 4.36Å; V45-F106 HydrophobicContact CG1-CG 3.75Å; L49-F106 HydrophobicContact CD2-CD1 3.95Å; L104-F106 WeakPolarHBondContact O-CD1 3.35Å; L104-F106 PolarHBondContact O-N 2.84Å; F106-H108 PolarHBondContact O-N 3.34Å; F106-H108 VanDerWaalsContact O-N 3.11Å; F106-L109 HydrophobicContact CB-CD1 4.19Å; F106-L109 WeakPolarHBondContact O-CB 3.3Å; F106-L109 PolarHBondContact O-N 2.76Å; F106-P111 HydrophobicContact CD2-CB 3.72Å; F106-P111 HydrophobicContact CD2-CG 3.69Å; F106-P111 HydrophobicContact CE2-CB 3.69Å; F106-P111 HydrophobicContact CE2-CG 3.71Å; F106-M116 HydrophobicContact CD1-CE 3.83Å; F106-M116 HydrophobicContact CD2-CE 3.89Å; F106-M116 HydrophobicContact CE1-CE 3.4Å; F106-M116 VanDerWaalsContact CE1-CE 3.4Å; F106-M116 HydrophobicContact CE1-SD 4.34Å; F106-M116 HydrophobicContact CE2-CE 3.47Å; F106-M116 VanDerWaalsContact CE2-CE 3.47Å; F106-M116 HydrophobicContact CG-CE 4.06Å; F106-M116 HydrophobicContact CZ-CE 3.2Å; F106-M116 HydrophobicContact CZ-CG 4.44Å; F106-M116 HydrophobicContact CZ-SD 4.48Å; F106-I153 HydrophobicContact CD1-CG2 4.47Å; F106-I153 HydrophobicContact CE1-CB 4.47Å; F106-I153 HydrophobicContact CE1-CG2 3.92Å; F106-Y154 VanDerWaalsContact CE1-C 3.49Å; F106-Y154 VanDerWaalsContact CE1-O 3.31Å; F106-Y154 WeakPolarHBondContact CE1-O 3.47Å; F106-N155 HydrophobicContact CD2-CB 4.17Å; F106-N155 HydrophobicContact CE2-CB 3.63Å; F106-N155 HydrophobicContact CZ-CB 3.83Å; F106-N155 VanDerWaalsContact CZ-N 3.32Å; F106-N155 PolarHBondContact N-O 3.43Å
107	D	89.3	Confident	90.6	Very high	65 Å²	65	42.4 Å²	42.4	35%	0.348	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-48.7	-38.1	173.3	-71.1	-39.5	0	0	0	113.6	R105 L109 N110 N155 N156	R105-D107 HydrophobicContact CG-CB 4.35Å; D107-L109 PolarHBondContact O-N 3.24Å; D107-N110 PolarHBondContact O-N 2.94Å; D107-N110 VanDerWaalsContact O-N 3.1Å; D107-N155 VanDerWaalsContact CG-C 3.49Å; D107-N155 PolarHBondContact N-O 3.21Å; D107-N155 WeakPolarHBondContact OD1-CB 3.13Å; D107-N155 PolarHBondContact OD1-ND2 3.34Å; D107-N156 WeakPolarHBondContact OD2-CA 3.43Å
108	H	89.4	Confident	90.3	Very high	137 Å²	137	43.6 Å²	43.6	63%	0.634	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-65.1	-16.4	-178.8	67.2	-82.9	0	0	0	113.8	R105 F106 N110	R105-H108 PolarHBondContact O-CE1 3.16Å; R105-H108 VanDerWaalsContact O-CE1 3.28Å; R105-H108 PolarHBondContact O-ND1 3.35Å; F106-H108 PolarHBondContact O-N 3.34Å; F106-H108 VanDerWaalsContact O-N 3.11Å; H108-N110 VanDerWaalsContact C-N 3.3Å
109	L	87.4	Confident	90	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.12	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-87.3	3.1	176.9	-57.5	-180	0	0	0	112.8	T40 V45 Q48 F106 D107	T40-L109 VanDerWaalsContact CB-O 3.22Å; T40-L109 WeakPolarHBondContact CB-O 3.24Å; T40-L109 PolarHBondContact OG1-O 3.48Å; V45-L109 HydrophobicContact CG1-CD1 4.18Å; Q48-L109 HydrophobicContact CB-CD1 4.42Å; Q48-L109 HydrophobicContact CG-CD1 4.34Å; Q48-L109 VanDerWaalsContact OE1-CD2 3.25Å; F106-L109 HydrophobicContact CB-CD1 4.19Å; F106-L109 WeakPolarHBondContact O-CB 3.3Å; F106-L109 PolarHBondContact O-N 2.76Å; D107-L109 PolarHBondContact O-N 3.24Å
110	N	87.6	Confident	89.7	Confident	98 Å²	98	49.6 Å²	49.6	52%	0.524	25%	0.254	S	S	.	.			trans	50.6	59.4	-175.7	-171.3	32.7	0	0	0	112.2	G38 C39 T40 D107 H108	G38-N110 PolarHBondContact O-ND2 3.07Å; C39-N110 CarbonylContact C-O 3.55Å; C39-N110 WeakPolarHBondContact CA-O 3.3Å; C39-N110 WeakPolarHBondContact CB-O 3.45Å; T40-N110 PolarHBondContact N-O 3.32Å; D107-N110 PolarHBondContact O-N 2.94Å; D107-N110 VanDerWaalsContact O-N 3.1Å; H108-N110 VanDerWaalsContact C-N 3.3Å
111	P	86.5	Confident	89.4	Confident	23 Å²	23	50.1 Å²	50.1	15%	0.149	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-67.3	144.6	-173	31	-37.7	0	0	0	111.9	V45 F106 K113 N155	V45-P111 HydrophobicContact CG2-CB 4.32Å; F106-P111 HydrophobicContact CD2-CB 3.72Å; F106-P111 HydrophobicContact CD2-CG 3.69Å; F106-P111 HydrophobicContact CE2-CB 3.69Å; F106-P111 HydrophobicContact CE2-CG 3.71Å; P111-K113 VanDerWaalsContact C-N 3.32Å; P111-K113 WeakPolarHBondContact CB-O 3.17Å; P111-K113 PolarHBondContact O-N 3.3Å; P111-N155 HydrophobicContact CG-CB 4.26Å
112	C	86.1	Confident	89.2	Confident	19 Å²	19	50.8 Å²	50.8	13%	0.128	27%	0.268	C	S	.	.	S	Bend	trans	-68.5	-30.1	175.9	-67.7	0	0	0	0	113.4	Y35 C39 T40	Y35-C112 HydrophobicContact CD1-CB 3.48Å; Y35-C112 VanDerWaalsContact CD1-CB 3.48Å; Y35-C112 HydrophobicContact CE1-CB 4.04Å; Y35-C112 HydrophobicContact CG-CB 3.77Å; C39-C112 HydrophobicContact CB-CB 3.88Å; C39-C112 WeakPolarHBondContact CB-SG 3.23Å; C39-C112 PolarHBondContact O-SG 3.14Å; C39-C112 WeakPolarHBondContact SG-CA 3.27Å; C39-C112 WeakPolarHBondContact SG-CB 3.5Å; C39-C112 CovalentContact SG-SG 2.03Å; C39-C112 PolarHBondContact SG-SG 3.16Å; T40-C112 PolarHBondContact O-N 2.76Å; T40-C112 PolarHBondContact O-SG 3.23Å
113	K	84.9	Confident	89.2	Confident	57 Å²	57	48.7 Å²	48.7	25%	0.248	25%	0.254	C	S	.	.	S	Bend	trans	-113.1	145.9	175.2	-64.6	-172.7	-166.6	155	0	111.1	Y25 Y35 D42 P111 N115	Y25-K113 HydrophobicContact CE1-CG 4.36Å; Y35-K113 HydrophobicContact CE1-CD 4.37Å; Y35-K113 HydrophobicContact CE1-CG 3.68Å; Y35-K113 WeakPolarHBondContact OH-CE 3.3Å; Y35-K113 PolarHBondContact OH-NZ 3.11Å; D42-K113 WeakPolarHBondContact OD2-CD 3.22Å; D42-K113 WeakPolarHBondContact OD2-CE 3.32Å; D42-K113 IonicContact OD2-NZ 2.87Å; D42-K113 PolarHBondContact OD2-NZ 3.4Å; P111-K113 VanDerWaalsContact C-N 3.32Å; P111-K113 WeakPolarHBondContact CB-O 3.17Å; P111-K113 PolarHBondContact O-N 3.3Å; K113-N115 VanDerWaalsContact CB-O 3.31Å; K113-N115 WeakPolarHBondContact CB-O 3.27Å; K113-N115 PolarHBondContact O-N 3.14Å
114	P	85.3	Confident	89.1	Confident	29 Å²	29	50.1 Å²	50.1	19%	0.188	27%	0.268	C	S	.	.	S	Bend	trans	-72.1	-20.3	175.2	30.4	-35.3	0	0	0	112.8	N155	P114-N155 VanDerWaalsContact O-CB 3.28Å; P114-N155 WeakPolarHBondContact O-CB 3.45Å; P114-N155 PolarHBondContact O-N 2.86Å; P114-N155 PolarHBondContact O-OD1 3.03Å
115	N	89.3	Confident	89.1	Confident	38 Å²	38	55.5 Å²	55.5	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.2	178.9	56.1	21.3	0	0	0	110.8	K113 M152 I153 Y154	K113-N115 VanDerWaalsContact CB-O 3.31Å; K113-N115 WeakPolarHBondContact CB-O 3.27Å; K113-N115 PolarHBondContact O-N 3.14Å; N115-M152 HydrophobicContact CB-CE 4.48Å; N115-M152 HydrophobicContact CB-CG 4.02Å; N115-M152 HydrophobicContact CB-SD 3.94Å; N115-I153 VanDerWaalsContact CA-O 3.3Å; N115-I153 WeakPolarHBondContact CA-O 3.26Å; N115-Y154 HydrophobicContact CB-CD1 3.81Å; N115-Y154 HydrophobicContact CB-CE1 4.04Å; N115-Y154 HydrophobicContact CB-CG 4.22Å
116	M	89.4	Confident	89.2	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.5	177.9	61.5	-176.2	73.5	0	0	109.9	V45 V46 F106 L118 M152 I153	V45-M116 HydrophobicContact CB-CE 4.08Å; V45-M116 HydrophobicContact CG1-CE 3.31Å; V46-M116 HydrophobicContact CG2-SD 3.59Å; V46-M116 VanDerWaalsContact CG2-SD 3.59Å; F106-M116 HydrophobicContact CD1-CE 3.83Å; F106-M116 HydrophobicContact CD2-CE 3.89Å; F106-M116 HydrophobicContact CE1-CE 3.4Å; F106-M116 VanDerWaalsContact CE1-CE 3.4Å; F106-M116 HydrophobicContact CE1-SD 4.34Å; F106-M116 HydrophobicContact CE2-CE 3.47Å; F106-M116 VanDerWaalsContact CE2-CE 3.47Å; F106-M116 HydrophobicContact CG-CE 4.06Å; F106-M116 HydrophobicContact CZ-CE 3.2Å; F106-M116 HydrophobicContact CZ-CG 4.44Å; F106-M116 HydrophobicContact CZ-SD 4.48Å; M116-L118 HydrophobicContact CG-CD1 4.05Å; M116-L118 HydrophobicContact CG-CD2 4.29Å; M116-L118 HydrophobicContact CG-CG 4.11Å; M116-L118 HydrophobicContact SD-CD1 4.14Å; M116-L118 HydrophobicContact SD-CD2 4.09Å; M116-L118 HydrophobicContact SD-CG 4.41Å; M116-M152 VanDerWaalsContact O-CA 3.28Å; M116-M152 WeakPolarHBondContact O-CA 3.33Å; M116-I153 HydrophobicContact CG-CB 4.29Å; M116-I153 PolarHBondContact N-O 3.42Å; M116-I153 PolarHBondContact O-N 3.38Å
117	S	90.7	Very high	89.4	Confident	77 Å²	77	50.9 Å²	50.9	54%	0.538	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.2	167.5	-66	0	0	0	0	109.1	L151 M152	S117-L151 WeakPolarHBondContact CA-O 3.33Å; S117-M152 VanDerWaalsContact OG-CE 3.29Å; S117-M152 WeakPolarHBondContact OG-CE 3.29Å
118	L	91.2	Very high	89.7	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.5	-175.6	-62.8	161.5	0	0	0	109.9	V46 M116 L122 L151 I153	V46-L118 HydrophobicContact CG1-CD2 4.26Å; V46-L118 HydrophobicContact CG2-CD2 3.61Å; M116-L118 HydrophobicContact CG-CD1 4.05Å; M116-L118 HydrophobicContact CG-CD2 4.29Å; M116-L118 HydrophobicContact CG-CG 4.11Å; M116-L118 HydrophobicContact SD-CD1 4.14Å; M116-L118 HydrophobicContact SD-CD2 4.09Å; M116-L118 HydrophobicContact SD-CG 4.41Å; L118-L122 HydrophobicContact CB-CD2 4Å; L118-L122 HydrophobicContact CD1-CD2 3.66Å; L118-L122 HydrophobicContact CD2-CD2 4.02Å; L118-L122 HydrophobicContact CG-CD2 4.08Å; L118-L151 HydrophobicContact CB-CD2 3.95Å; L118-L151 HydrophobicContact CB-CG 4.13Å; L118-L151 PolarHBondContact N-O 2.84Å; L118-I153 HydrophobicContact CD1-CB 4.26Å; L118-I153 HydrophobicContact CD1-CD1 3.33Å; L118-I153 HydrophobicContact CD1-CG1 3.64Å
119	D	90.2	Very high	90	Very high	109 Å²	109	42.6 Å²	42.6	58%	0.583	24%	0.236	S	C	*	.			trans	-70.5	150.9	175.8	-178.8	50.9	0	0	0	111.5	S121 L122	D119-S121 PolarHBondContact O-N 3Å; D119-S121 WeakPolarHBondContact OD2-CB 3.42Å; D119-S121 PolarHBondContact OD2-N 2.94Å; D119-S121 VanDerWaalsContact OD2-N 3.14Å; D119-S121 PolarHBondContact OD2-OG 2.81Å; D119-L122 WeakPolarHBondContact O-CB 3.28Å; D119-L122 PolarHBondContact O-N 3.32Å; D119-L122 VanDerWaalsContact O-N 3.15Å
120	N	88.6	Confident	90.4	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.123	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.5	-179.8	178.8	53.6	0	0	0	112.9	L122 L123 T147 I149	N120-L122 PolarHBondContact O-N 3.42Å; N120-L123 WeakPolarHBondContact O-CB 3.32Å; N120-L123 PolarHBondContact O-N 2.99Å; N120-T147 PolarHBondContact ND2-OG1 3.44Å; N120-I149 HydrophobicContact CB-CB 4.2Å; N120-I149 WeakPolarHBondContact OD1-CB 3.45Å; N120-I149 WeakPolarHBondContact OD1-CD1 3.42Å; N120-I149 WeakPolarHBondContact OD1-CG2 3.21Å
121	S	89.1	Confident	90.8	Very high	71 Å²	71	41 Å²	41	50%	0.497	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.6	-21.3	177.3	62.4	0	0	0	0	114	D119	D119-S121 PolarHBondContact O-N 3Å; D119-S121 WeakPolarHBondContact OD2-CB 3.42Å; D119-S121 PolarHBondContact OD2-N 2.94Å; D119-S121 VanDerWaalsContact OD2-N 3.14Å; D119-S121 PolarHBondContact OD2-OG 2.81Å
122	L	90.7	Very high	91.3	Very high	14 Å²	14	42 Å²	42	7%	0.073	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-77.7	-28	175	-176.7	55.4	0	0	0	112.5	V50 F52 L118 D119 N120 D124 K125 L126 L151	V50-L122 HydrophobicContact CB-CD1 4.23Å; V50-L122 HydrophobicContact CG1-CD1 3.33Å; V50-L122 HydrophobicContact CG1-CD2 4.39Å; V50-L122 HydrophobicContact CG2-CD1 3.87Å; V50-L122 HydrophobicContact CG2-CD2 3.57Å; V50-L122 HydrophobicContact CG2-CG 4.38Å; F52-L122 HydrophobicContact CE2-CD1 3.58Å; F52-L122 HydrophobicContact CZ-CD1 3.66Å; L118-L122 HydrophobicContact CB-CD2 4Å; L118-L122 HydrophobicContact CD1-CD2 3.66Å; L118-L122 HydrophobicContact CD2-CD2 4.02Å; L118-L122 HydrophobicContact CG-CD2 4.08Å; D119-L122 WeakPolarHBondContact O-CB 3.28Å; D119-L122 PolarHBondContact O-N 3.32Å; D119-L122 VanDerWaalsContact O-N 3.15Å; N120-L122 PolarHBondContact O-N 3.42Å; L122-D124 VanDerWaalsContact C-N 3.26Å; L122-D124 PolarHBondContact O-N 3.08Å; L122-K125 HydrophobicContact CD1-CB 4.41Å; L122-K125 HydrophobicContact CD1-CD 4.35Å; L122-K125 WeakPolarHBondContact O-CB 3.41Å; L122-K125 PolarHBondContact O-N 3.3Å; L122-L126 HydrophobicContact CG-CD1 4.43Å; L122-L126 PolarHBondContact O-N 3.27Å; L122-L151 HydrophobicContact CB-CD2 4.33Å
123	L	92.1	Very high	91.8	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.052	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59.2	-38.8	-178.8	-172.7	60.7	0	0	0	111.6	N120 K125 L126 T128 I149 L151 T161 Y163	N120-L123 WeakPolarHBondContact O-CB 3.32Å; N120-L123 PolarHBondContact O-N 2.99Å; L123-K125 PolarHBondContact O-N 3.07Å; L123-L126 PolarHBondContact O-N 3.5Å; L123-T128 HydrophobicContact CD1-CG2 3.69Å; L123-T128 HydrophobicContact CG-CG2 4.15Å; L123-I149 HydrophobicContact CD2-CG2 3.81Å; L123-L151 HydrophobicContact CB-CD2 4.19Å; L123-L151 HydrophobicContact CD1-CD1 4.18Å; L123-L151 HydrophobicContact CD1-CD2 4.41Å; L123-T161 HydrophobicContact CD1-CG2 3.76Å; L123-T161 HydrophobicContact CD2-CG2 4.41Å; L123-Y163 HydrophobicContact CD2-CE1 3.98Å
124	D	90.6	Very high	92.4	Very high	114 Å²	114	42.3 Å²	42.3	61%	0.61	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-61.9	-17.3	177.5	-66.5	-30.4	0	0	0	114	K59 L122	K59-D124 PolarHBondContact NZ-O 3.03Å; L122-D124 VanDerWaalsContact C-N 3.26Å; L122-D124 PolarHBondContact O-N 3.08Å
125	K	91.4	Very high	92.9	Very high	116 Å²	116	42.7 Å²	42.7	50%	0.504	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-98.9	-13.2	178.2	-56.9	-179.2	-178.8	178.3	0	112.7	F52 K59 L122 L123	F52-K125 HydrophobicContact CD2-CB 3.89Å; F52-K125 HydrophobicContact CD2-CD 4Å; F52-K125 HydrophobicContact CE2-CB 3.33Å; F52-K125 HydrophobicContact CE2-CD 3.72Å; F52-K125 HydrophobicContact CE2-CG 4.17Å; F52-K125 HydrophobicContact CZ-CB 4.05Å; K59-K125 WeakPolarHBondContact CB-O 3.42Å; L122-K125 HydrophobicContact CD1-CB 4.41Å; L122-K125 HydrophobicContact CD1-CD 4.35Å; L122-K125 WeakPolarHBondContact O-CB 3.41Å; L122-K125 PolarHBondContact O-N 3.3Å; L123-K125 PolarHBondContact O-N 3.07Å
126	L	93.6	Very high	93.2	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	24%	0.239	C	C	.	.	S	Bend	trans	-90.4	158.1	177.2	-63	177.6	0	0	0	110.9	F52 Y57 L104 L122 L123 L151 I153	F52-L126 HydrophobicContact CE1-CD2 3.82Å; F52-L126 HydrophobicContact CZ-CD2 3.59Å; F52-L126 HydrophobicContact CZ-CG 4.42Å; Y57-L126 HydrophobicContact CE1-CD2 4.21Å; L104-L126 HydrophobicContact CD1-CD1 4.43Å; L104-L126 HydrophobicContact CD1-CD2 3.87Å; L104-L126 HydrophobicContact CD2-CD2 3.78Å; L104-L126 HydrophobicContact CG-CD2 4.48Å; L122-L126 HydrophobicContact CG-CD1 4.43Å; L122-L126 PolarHBondContact O-N 3.27Å; L123-L126 PolarHBondContact O-N 3.5Å; L126-L151 HydrophobicContact CD1-CD1 4.44Å; L126-L151 HydrophobicContact CD1-CD2 4.07Å; L126-I153 HydrophobicContact CD1-CD1 4.09Å
127	W	94.9	Very high	93.6	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	26%	0.257	C	S	.	.			trans	-71.4	133.2	165.3	177.8	91	0	0	0	109.2	Y57 L62 P63 M68 W99 P129 Y194 V199	Y57-W127 PolarHBondContact OH-N 3.4Å; L62-W127 HydrophobicContact CD2-CH2 4.44Å; L62-W127 HydrophobicContact CD2-CZ2 3.53Å; P63-W127 VanDerWaalsContact CD-CD2 3.45Å; P63-W127 HydrophobicContact CG-CB 4.5Å; P63-W127 HydrophobicContact CG-CD2 3.78Å; P63-W127 HydrophobicContact CG-CE3 3.49Å; P63-W127 VanDerWaalsContact CG-CE3 3.49Å; P63-W127 HydrophobicContact CG-CG 4.21Å; P63-W127 HydrophobicContact CG-CZ3 4.03Å; M68-W127 HydrophobicContact CB-CH2 4.08Å; M68-W127 HydrophobicContact CE-CZ3 4.17Å; M68-W127 HydrophobicContact CG-CH2 3.9Å; M68-W127 HydrophobicContact CG-CZ2 4.4Å; M68-W127 HydrophobicContact CG-CZ3 4.31Å; W99-W127 AromaticContact CD1-CZ3 3.87Å; W99-W127 HydrophobicContact CD2-CZ3 4.49Å; W99-W127 HydrophobicContact CG-CZ3 4.22Å; W99-W127 WeakPolarHBondContact CZ2-O 3.32Å; W99-W127 AromaticContact NE1-CE3 3.81Å; W99-W127 AromaticContact NE1-CZ3 3.91Å; W127-P129 HydrophobicContact CH2-CB 4.06Å; W127-P129 HydrophobicContact CZ3-CB 4.45Å; W127-Y194 HydrophobicContact CZ2-CD2 4.3Å; W127-Y194 AromaticContact CZ2-CE2 3.94Å; W127-Y194 HydrophobicContact CZ2-CE2 3.94Å; W127-Y194 AromaticContact NE1-CE2 3.95Å; W127-Y194 AromaticContact NE1-CZ 3.55Å; W127-Y194 PolarHBondContact NE1-OH 3.39Å; W127-Y194 VanDerWaalsContact NE1-OH 3.11Å; W127-V199 HydrophobicContact CH2-CG2 3.95Å; W127-V199 HydrophobicContact CZ2-CG2 3.93Å
128	T	95.3	Very high	93.8	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.178	26%	0.256	C	S	.	.			trans	-124.3	152.7	176.6	49.3	0	0	0	0	110.1	W99 L123 N130	W99-T128 HydrophobicContact CH2-CG2 4.46Å; L123-T128 HydrophobicContact CD1-CG2 3.69Å; L123-T128 HydrophobicContact CG-CG2 4.15Å; T128-N130 PolarHBondContact O-N 3.1Å; T128-N130 VanDerWaalsContact O-N 3.11Å; T128-N130 PolarHBondContact O-OD1 3.47Å; T128-N130 PolarHBondContact OG1-OD1 3.41Å
129	P	95.8	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.			trans	-71.1	-0.7	178.4	30.8	-36.3	0	0	0	114.2	V70 W99 W127 T131 S191 Y194 V199	V70-P129 HydrophobicContact CG1-CB 4.45Å; V70-P129 HydrophobicContact CG1-CG 4.22Å; V70-P129 HydrophobicContact CG2-CB 3.77Å; V70-P129 HydrophobicContact CG2-CG 4.27Å; W99-P129 HydrophobicContact CE3-CG 4.3Å; W99-P129 HydrophobicContact CZ3-CG 4.22Å; W127-P129 HydrophobicContact CH2-CB 4.06Å; W127-P129 HydrophobicContact CZ3-CB 4.45Å; P129-T131 HydrophobicContact CB-CG2 3.98Å; P129-T131 HydrophobicContact CG-CG2 3.98Å; P129-T131 PolarHBondContact O-N 3.07Å; P129-S191 WeakPolarHBondContact O-CB 3.49Å; P129-Y194 WeakPolarHBondContact O-CD2 3.18Å; P129-V199 HydrophobicContact CB-CG1 4.33Å
130	N	94.9	Very high	94.4	Very high	58 Å²	58	50 Å²	50	31%	0.31	27%	0.267	S	S	.	.			trans	50.9	54.6	176.6	-67.4	0.8	0	0	0	113.1	T128 F192 N193 Y194	T128-N130 PolarHBondContact O-N 3.1Å; T128-N130 VanDerWaalsContact O-N 3.11Å; T128-N130 PolarHBondContact O-OD1 3.47Å; T128-N130 PolarHBondContact OG1-OD1 3.41Å; N130-F192 VanDerWaalsContact O-CB 3.31Å; N130-F192 WeakPolarHBondContact O-CB 3.49Å; N130-F192 PolarHBondContact O-N 3.47Å; N130-N193 HydrophobicContact CB-CB 4.41Å; N130-N193 PolarHBondContact ND2-ND2 3.44Å; N130-N193 VanDerWaalsContact ND2-ND2 3.16Å; N130-Y194 HydrophobicContact CB-CD2 4.49Å; N130-Y194 HydrophobicContact CB-CE2 4.19Å
131	T	96.4	Very high	94.8	Very high	30 Å²	30	52.4 Å²	52.4	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	153.2	-175.1	51.7	0	0	0	0	112.6	E97 P129 F189 E190 M201	E97-T131 VanDerWaalsContact OE1-CB 3.22Å; E97-T131 WeakPolarHBondContact OE1-CB 3.45Å; E97-T131 VanDerWaalsContact OE1-CG2 3.29Å; E97-T131 WeakPolarHBondContact OE1-CG2 3.49Å; E97-T131 PolarHBondContact OE1-OG1 3.01Å; P129-T131 HydrophobicContact CB-CG2 3.98Å; P129-T131 HydrophobicContact CG-CG2 3.98Å; P129-T131 PolarHBondContact O-N 3.07Å; T131-F189 HydrophobicContact CG2-CE1 4.03Å; T131-F189 HydrophobicContact CG2-CZ 4.2Å; T131-F189 VanDerWaalsContact OG1-CZ 3.32Å; T131-F189 WeakPolarHBondContact OG1-CZ 3.45Å; T131-E190 CarbonylContact C-O 3.56Å; T131-E190 WeakPolarHBondContact CA-O 3.29Å; T131-M201 HydrophobicContact CG2-SD 3.7Å
132	C	96.5	Very high	95.1	Very high	42 Å²	42	51 Å²	51	28%	0.284	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.3	176.3	67.5	0	0	0	0	112.2	I134 F189 E190	C132-I134 PolarHBondContact O-N 3.07Å; C132-F189 WeakPolarHBondContact O-CA 3.43Å; C132-F189 WeakPolarHBondContact O-CD2 3.4Å; C132-E190 PolarHBondContact N-O 3.37Å; C132-E190 PolarHBondContact O-N 3.28Å; C132-E190 VanDerWaalsContact O-N 3.08Å
133	F	97.5	Very high	95.3	Very high	14 Å²	14	57.1 Å²	57.1	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	94.2	168.9	-71.5	-82.5	0	0	0	109.9	L93 I95 N135 S136 L167 L187 T188 F189	L93-F133 HydrophobicContact CD1-CE2 4.22Å; L93-F133 HydrophobicContact CD1-CZ 4.06Å; L93-F133 HydrophobicContact CD2-CZ 4.22Å; I95-F133 HydrophobicContact CD1-CZ 4.43Å; F133-N135 VanDerWaalsContact C-N 3.26Å; F133-N135 PolarHBondContact O-N 3.17Å; F133-S136 WeakPolarHBondContact O-CB 3.36Å; F133-S136 PolarHBondContact O-N 3.34Å; F133-S136 VanDerWaalsContact O-N 3.09Å; F133-S136 PolarHBondContact O-OG 3.5Å; F133-L167 HydrophobicContact CB-CD2 4.33Å; F133-L167 HydrophobicContact CD1-CD1 4.18Å; F133-L167 HydrophobicContact CD2-CD1 3.47Å; F133-L167 VanDerWaalsContact CD2-CD1 3.47Å; F133-L167 HydrophobicContact CD2-CD2 3.61Å; F133-L167 HydrophobicContact CD2-CG 4.19Å; F133-L167 HydrophobicContact CE1-CD1 4.07Å; F133-L167 HydrophobicContact CE2-CD1 3.35Å; F133-L167 HydrophobicContact CE2-CD2 4.22Å; F133-L167 HydrophobicContact CE2-CG 4.38Å; F133-L167 HydrophobicContact CG-CD1 3.88Å; F133-L167 HydrophobicContact CG-CD2 4.12Å; F133-L167 HydrophobicContact CZ-CD1 3.66Å; F133-L187 HydrophobicContact CD1-CB 3.9Å; F133-L187 HydrophobicContact CD1-CD2 4.33Å; F133-L187 HydrophobicContact CE1-CB 4.07Å; F133-T188 CarbonylContact C-O 3.6Å; F133-T188 VanDerWaalsContact CA-O 3.22Å; F133-T188 WeakPolarHBondContact CA-O 3.15Å; F133-F189 HydrophobicContact CD1-CB 4.09Å; F133-F189 AromaticContact CD1-CD2 3.89Å; F133-F189 HydrophobicContact CD1-CD2 3.89Å; F133-F189 HydrophobicContact CD1-CG 4.48Å; F133-F189 AromaticContact CD2-CD2 3.76Å; F133-F189 HydrophobicContact CD2-CD2 3.76Å; F133-F189 HydrophobicContact CD2-CE2 4.06Å; F133-F189 HydrophobicContact CE1-CB 3.89Å; F133-F189 AromaticContact CE1-CD2 3.78Å; F133-F189 HydrophobicContact CE1-CD2 3.78Å; F133-F189 HydrophobicContact CE1-CG 4.19Å; F133-F189 AromaticContact CE2-CD2 3.62Å; F133-F189 HydrophobicContact CE2-CD2 3.62Å; F133-F189 AromaticContact CE2-CE2 3.83Å; F133-F189 HydrophobicContact CE2-CE2 3.83Å; F133-F189 AromaticContact CG-CD2 3.9Å; F133-F189 HydrophobicContact CG-CD2 3.9Å; F133-F189 HydrophobicContact CZ-CB 4.45Å; F133-F189 AromaticContact CZ-CD2 3.65Å; F133-F189 HydrophobicContact CZ-CD2 3.65Å; F133-F189 HydrophobicContact CZ-CE2 4.2Å; F133-F189 HydrophobicContact CZ-CG 4.29Å
134	I	96.2	Very high	95.3	Very high	69 Å²	69	61 Å²	61	35%	0.354	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.5	-170.7	58.9	101.2	0	0	0	113.5	C132 T188 E190	C132-I134 PolarHBondContact O-N 3.07Å; I134-T188 HydrophobicContact CD1-CG2 4.02Å; I134-T188 HydrophobicContact CG1-CG2 3.84Å; I134-T188 PolarHBondContact N-O 3.49Å; I134-E190 HydrophobicContact CG2-CB 3.86Å; I134-E190 HydrophobicContact CG2-CG 4.21Å
135	N	96.2	Very high	95.4	Very high	37 Å²	37	61.4 Å²	61.4	20%	0.198	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.1	-179.6	76.3	-30.2	0	0	0	113.4	F133 P170 S186 L187 T188	F133-N135 VanDerWaalsContact C-N 3.26Å; F133-N135 PolarHBondContact O-N 3.17Å; N135-P170 HydrophobicContact CB-CG 4.3Å; N135-P170 WeakPolarHBondContact O-CD 3.23Å; N135-P170 VanDerWaalsContact O-CG 3.23Å; N135-P170 WeakPolarHBondContact O-CG 3.49Å; N135-S186 PolarHBondContact ND2-O 3.35Å; N135-L187 WeakPolarHBondContact OD1-CA 3.02Å; N135-T188 PolarHBondContact OD1-N 2.9Å
136	S	96.8	Very high	95.5	Very high	34 Å²	34	62.6 Å²	62.6	24%	0.238	34%	0.335	C	S	.	.			trans	-64.3	141.8	180	64.7	0	0	0	0	111.6	F133	F133-S136 WeakPolarHBondContact O-CB 3.36Å; F133-S136 PolarHBondContact O-N 3.34Å; F133-S136 VanDerWaalsContact O-N 3.09Å; F133-S136 PolarHBondContact O-OG 3.5Å
137	K	96.1	Very high	95.5	Very high	99 Å²	99	64.3 Å²	64.3	43%	0.43	35%	0.346	S	S	.	.	S	Bend	trans	-78	-42.4	170.5	-63.9	-171.8	-175.4	178	0	110.8	T86 Q87 D88 T168	T86-K137 PolarHBondContact O-NZ 3.48Å; Q87-K137 PolarHBondContact O-NZ 3.31Å; D88-K137 HydrophobicContact CB-CD 4.04Å; D88-K137 IonicContact OD2-NZ 2.7Å; D88-K137 PolarHBondContact OD2-NZ 3.46Å; K137-T168 HydrophobicContact CB-CG2 4.27Å; K137-T168 PolarHBondContact N-O 3.02Å
138	E	96.2	Very high	95.5	Very high	109 Å²	109	65.6 Å²	65.6	51%	0.509	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.7	177.8	-59.3	-177.4	166	0	0	109.3	F140 T168	E138-F140 HydrophobicContact CB-CE2 3.77Å; E138-F140 HydrophobicContact CB-CZ 4.27Å; E138-T168 PolarHBondContact N-O 2.9Å; E138-T168 PolarHBondContact O-N 3.43Å
139	A	97.2	Very high	95.6	Very high	53 Å²	53	65.6 Å²	65.6	44%	0.438	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.1	178.7	0	0	0	0	0	110	K166 L167	A139-K166 WeakPolarHBondContact CA-O 3.22Å; A139-L167 HydrophobicContact CB-CD2 3.49Å; A139-L167 VanDerWaalsContact CB-CD2 3.49Å
140	F	96.8	Very high	95.5	Very high	119 Å²	119	68.9 Å²	68.9	52%	0.522	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.1	-179.1	-57	-77.8	0	0	0	110.7	E138 V165 K166	E138-F140 HydrophobicContact CB-CE2 3.77Å; E138-F140 HydrophobicContact CB-CZ 4.27Å; F140-V165 CarbonylContact O-C 3.52Å; F140-V165 WeakPolarHBondContact O-CA 3.09Å; F140-V165 WeakPolarHBondContact O-CG1 3.28Å; F140-K166 HydrophobicContact CB-CB 4.48Å; F140-K166 PolarHBondContact N-O 2.99Å; F140-K166 PolarHBondContact O-N 3.39Å
141	I	96.6	Very high	95.5	Very high	72 Å²	72	66.2 Å²	66.2	37%	0.369	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.7	169.6	-59.2	175.3	0	0	0	108	I149 Y163 V165	I141-I149 HydrophobicContact CD1-CD1 4.05Å; I141-I149 HydrophobicContact CG2-CD1 4.27Å; I141-I149 HydrophobicContact CG2-CG1 3.95Å; I141-Y163 HydrophobicContact CD1-CD1 4.28Å; I141-V165 HydrophobicContact CG1-CG2 4.5Å
142	H	96.1	Very high	95.4	Very high	43 Å²	43	65.7 Å²	65.7	20%	0.199	35%	0.347	C	S	.	.			trans	-63.2	145.2	178.8	-82.5	-99.4	0	0	0	111.5	D92 N148 R164	D92-H142 IonicContact OD1-CD2 2.89Å; D92-H142 IonicContact OD1-CE1 3.26Å; D92-H142 IonicContact OD1-NE2 3.11Å; D92-H142 PolarHBondContact OD1-NE2 3.05Å; H142-N148 HydrophobicContact CB-CB 4.2Å; H142-N148 WeakPolarHBondContact CB-ND2 3.49Å; H142-N148 WeakPolarHBondContact O-CB 3.42Å; H142-N148 PolarHBondContact O-N 3.02Å; H142-R164 HydrophobicContact CB-CB 4.27Å; H142-R164 HydrophobicContact CB-CG 4.05Å; H142-R164 PolarHBondContact N-O 3.25Å
143	Q	94.5	Very high	95.3	Very high	142 Å²	142	63.7 Å²	63.7	66%	0.664	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-136.2	116.3	178	-55.9	-175.9	-15.9	0	0	110.7	F146 T147	Q143-F146 CarbonylContact C-O 3.59Å; Q143-F146 VanDerWaalsContact CA-O 3.23Å; Q143-F146 WeakPolarHBondContact CA-O 3.46Å; Q143-T147 HydrophobicContact CG-CG2 3.98Å
144	S	92.1	Very high	95.2	Very high	90 Å²	90	64 Å²	64	63%	0.629	34%	0.335	S	S	*	.	S	Bend	trans	-171.3	110.6	171.8	-171.8	0	0	0	0	112	F146	S144-F146 VanDerWaalsContact C-N 3.27Å; S144-F146 PolarHBondContact N-O 3.3Å
145	P	91.7	Very high	94.9	Very high	124 Å²	124	63 Å²	63	81%	0.805	33%	0.33	S	S	*	.	S	Bend	cis	-77.3	-5.5	-14.9	32.6	-32.7	0	0	0	113.5
146	F	93.2	Very high	94.7	Very high	141 Å²	141	63.7 Å²	63.7	62%	0.618	33%	0.334	S	S	*	.	S	Bend	trans	-125.5	174.1	177.7	46.6	-100.6	0	0	0	110.5	Q143 S144 N148	Q143-F146 CarbonylContact C-O 3.59Å; Q143-F146 VanDerWaalsContact CA-O 3.23Å; Q143-F146 WeakPolarHBondContact CA-O 3.46Å; S144-F146 VanDerWaalsContact C-N 3.27Å; S144-F146 PolarHBondContact N-O 3.3Å; F146-N148 PolarHBondContact O-N 3.11Å; F146-N148 PolarHBondContact O-OD1 2.66Å
147	T	94.8	Very high	94.5	Very high	43 Å²	43	62.1 Å²	62.1	26%	0.264	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-60.4	123.7	175.3	47.3	0	0	0	0	111.7	N120 Q143 I149	N120-T147 PolarHBondContact ND2-OG1 3.44Å; Q143-T147 HydrophobicContact CG-CG2 3.98Å; T147-I149 PolarHBondContact O-N 2.81Å
148	N	94.9	Very high	94.4	Very high	30 Å²	30	57.9 Å²	57.9	16%	0.16	31%	0.306	C	S	.	.			trans	-80.1	70	-177.2	-67	-15.7	0	0	0	111.1	H142 F146 R164	H142-N148 HydrophobicContact CB-CB 4.2Å; H142-N148 WeakPolarHBondContact CB-ND2 3.49Å; H142-N148 WeakPolarHBondContact O-CB 3.42Å; H142-N148 PolarHBondContact O-N 3.02Å; F146-N148 PolarHBondContact O-N 3.11Å; F146-N148 PolarHBondContact O-OD1 2.66Å; N148-R164 HydrophobicContact CB-CB 3.85Å; N148-R164 PolarHBondContact O-N 3.23Å; N148-R164 VanDerWaalsContact O-N 3.14Å
149	I	96.1	Very high	94.4	Very high	28 Å²	28	52.8 Å²	52.8	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.1	175.6	-55	177.9	0	0	0	106.7	N120 L123 I141 T147 N162 Y163	N120-I149 HydrophobicContact CB-CB 4.2Å; N120-I149 WeakPolarHBondContact OD1-CB 3.45Å; N120-I149 WeakPolarHBondContact OD1-CD1 3.42Å; N120-I149 WeakPolarHBondContact OD1-CG2 3.21Å; L123-I149 HydrophobicContact CD2-CG2 3.81Å; I141-I149 HydrophobicContact CD1-CD1 4.05Å; I141-I149 HydrophobicContact CG2-CD1 4.27Å; I141-I149 HydrophobicContact CG2-CG1 3.95Å; T147-I149 PolarHBondContact O-N 2.81Å; I149-N162 WeakPolarHBondContact CA-O 3.27Å; I149-Y163 HydrophobicContact CB-CD1 4.33Å; I149-Y163 HydrophobicContact CD1-CD1 3.86Å; I149-Y163 HydrophobicContact CD1-CE1 4Å; I149-Y163 HydrophobicContact CG1-CD1 3.76Å; I149-Y163 HydrophobicContact CG1-CE1 4.26Å; I149-Y163 HydrophobicContact CG2-CD1 3.77Å; I149-Y163 HydrophobicContact CG2-CE1 3.7Å
150	F	95	Very high	94.4	Very high	70 Å²	70	52.4 Å²	52.4	31%	0.307	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.9	174.7	168.6	-86.3	0	0	0	108.8	M152 W160 T161 N162	F150-M152 HydrophobicContact CE1-CB 3.62Å; F150-M152 HydrophobicContact CE2-CE 4.45Å; F150-M152 HydrophobicContact CZ-CB 3.77Å; F150-M152 HydrophobicContact CZ-CE 3.7Å; F150-M152 HydrophobicContact CZ-SD 4.14Å; F150-W160 AromaticContact CE1-CD2 3.93Å; F150-W160 HydrophobicContact CE1-CD2 3.93Å; F150-W160 AromaticContact CE1-CE3 3.64Å; F150-W160 HydrophobicContact CE1-CE3 3.64Å; F150-W160 HydrophobicContact CE1-CH2 4.14Å; F150-W160 HydrophobicContact CE1-CZ2 4.39Å; F150-W160 AromaticContact CE1-CZ3 3.76Å; F150-W160 HydrophobicContact CE1-CZ3 3.76Å; F150-W160 HydrophobicContact CZ-CE3 4.34Å; F150-W160 HydrophobicContact CZ-CZ3 4.16Å; F150-T161 CarbonylContact O-C 3.45Å; F150-T161 VanDerWaalsContact O-CA 3.3Å; F150-T161 WeakPolarHBondContact O-CA 3.42Å; F150-N162 HydrophobicContact CB-CB 4.08Å; F150-N162 HydrophobicContact CD1-CB 4.12Å; F150-N162 PolarHBondContact N-O 3.45Å; F150-N162 PolarHBondContact O-N 3.32Å
151	L	95.6	Very high	94.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127	176.9	171.7	61.1	0	0	0	108.9	S117 L118 L122 L123 L126 V159 T161	S117-L151 WeakPolarHBondContact CA-O 3.33Å; L118-L151 HydrophobicContact CB-CD2 3.95Å; L118-L151 HydrophobicContact CB-CG 4.13Å; L118-L151 PolarHBondContact N-O 2.84Å; L122-L151 HydrophobicContact CB-CD2 4.33Å; L123-L151 HydrophobicContact CB-CD2 4.19Å; L123-L151 HydrophobicContact CD1-CD1 4.18Å; L123-L151 HydrophobicContact CD1-CD2 4.41Å; L126-L151 HydrophobicContact CD1-CD1 4.44Å; L126-L151 HydrophobicContact CD1-CD2 4.07Å; L151-V159 HydrophobicContact CD1-CG1 3.67Å; L151-T161 HydrophobicContact CD1-CG2 4.02Å
152	M	94.3	Very high	94.3	Very high	19 Å²	19	44 Å²	44	9%	0.094	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.1	174	177.7	173.1	-84.2	0	0	110.5	N115 M116 S117 F150 Y154 W160	N115-M152 HydrophobicContact CB-CE 4.48Å; N115-M152 HydrophobicContact CB-CG 4.02Å; N115-M152 HydrophobicContact CB-SD 3.94Å; M116-M152 VanDerWaalsContact O-CA 3.28Å; M116-M152 WeakPolarHBondContact O-CA 3.33Å; S117-M152 VanDerWaalsContact OG-CE 3.29Å; S117-M152 WeakPolarHBondContact OG-CE 3.29Å; F150-M152 HydrophobicContact CE1-CB 3.62Å; F150-M152 HydrophobicContact CE2-CE 4.45Å; F150-M152 HydrophobicContact CZ-CB 3.77Å; F150-M152 HydrophobicContact CZ-CE 3.7Å; F150-M152 HydrophobicContact CZ-SD 4.14Å; M152-Y154 HydrophobicContact CG-CD2 4.48Å; M152-Y154 HydrophobicContact CG-CE2 4.11Å; M152-Y154 HydrophobicContact SD-CE1 4.49Å; M152-Y154 HydrophobicContact SD-CE2 4.12Å; M152-W160 HydrophobicContact CB-CB 4.45Å; M152-W160 HydrophobicContact CB-CE3 4.33Å; M152-W160 PolarHBondContact N-O 2.85Å; M152-W160 PolarHBondContact O-N 2.97Å; M152-W160 HydrophobicContact SD-CE3 3.95Å; M152-W160 HydrophobicContact SD-CZ3 4.2Å
153	I	93.8	Very high	94.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.2	173.7	-54.4	178.4	0	0	0	108.4	L104 F106 N115 M116 L118 L126 S158 V159	L104-I153 HydrophobicContact CB-CG2 4.28Å; L104-I153 HydrophobicContact CD1-CD1 4.25Å; F106-I153 HydrophobicContact CD1-CG2 4.47Å; F106-I153 HydrophobicContact CE1-CB 4.47Å; F106-I153 HydrophobicContact CE1-CG2 3.92Å; N115-I153 VanDerWaalsContact CA-O 3.3Å; N115-I153 WeakPolarHBondContact CA-O 3.26Å; M116-I153 HydrophobicContact CG-CB 4.29Å; M116-I153 PolarHBondContact N-O 3.42Å; M116-I153 PolarHBondContact O-N 3.38Å; L118-I153 HydrophobicContact CD1-CB 4.26Å; L118-I153 HydrophobicContact CD1-CD1 3.33Å; L118-I153 HydrophobicContact CD1-CG1 3.64Å; L126-I153 HydrophobicContact CD1-CD1 4.09Å; I153-S158 WeakPolarHBondContact CA-O 3.34Å; I153-V159 HydrophobicContact CG1-CG2 4.37Å
154	Y	94	Very high	94.5	Very high	21 Å²	21	39.5 Å²	39.5	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	152	175	-68.1	-97.4	0	0	0	110.4	P17 M98 F106 N115 M152 N156 G157 S158 W160	P17-Y154 HydrophobicContact CB-CD1 3.78Å; P17-Y154 HydrophobicContact CB-CE1 3.51Å; P17-Y154 HydrophobicContact CG-CD1 3.81Å; P17-Y154 HydrophobicContact CG-CD2 4.38Å; P17-Y154 HydrophobicContact CG-CE1 3.61Å; P17-Y154 HydrophobicContact CG-CE2 4.21Å; P17-Y154 HydrophobicContact CG-CG 4.19Å; M98-Y154 HydrophobicContact CE-CD2 4.35Å; M98-Y154 HydrophobicContact CE-CE2 3.71Å; F106-Y154 VanDerWaalsContact CE1-C 3.49Å; F106-Y154 VanDerWaalsContact CE1-O 3.31Å; F106-Y154 WeakPolarHBondContact CE1-O 3.47Å; N115-Y154 HydrophobicContact CB-CD1 3.81Å; N115-Y154 HydrophobicContact CB-CE1 4.04Å; N115-Y154 HydrophobicContact CB-CG 4.22Å; M152-Y154 HydrophobicContact CG-CD2 4.48Å; M152-Y154 HydrophobicContact CG-CE2 4.11Å; M152-Y154 HydrophobicContact SD-CE1 4.49Å; M152-Y154 HydrophobicContact SD-CE2 4.12Å; Y154-N156 VanDerWaalsContact CB-OD1 3.23Å; Y154-N156 WeakPolarHBondContact CB-OD1 3.36Å; Y154-N156 PolarHBondContact O-N 2.97Å; Y154-N156 VanDerWaalsContact O-N 3.14Å; Y154-G157 PolarHBondContact O-N 2.98Å; Y154-S158 PolarHBondContact N-O 3.02Å; Y154-W160 HydrophobicContact CE2-CB 4.08Å; Y154-W160 HydrophobicContact CE2-CE3 4.31Å
155	N	91.6	Very high	94.7	Very high	48 Å²	48	35.8 Å²	35.8	26%	0.257	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.8	-177.8	66.2	-27	0	0	0	114.3	R105 F106 D107 P111 P114 G157	R105-N155 VanDerWaalsContact CG-O 3.3Å; R105-N155 WeakPolarHBondContact CG-O 3.46Å; F106-N155 HydrophobicContact CD2-CB 4.17Å; F106-N155 HydrophobicContact CE2-CB 3.63Å; F106-N155 HydrophobicContact CZ-CB 3.83Å; F106-N155 VanDerWaalsContact CZ-N 3.32Å; F106-N155 PolarHBondContact N-O 3.43Å; D107-N155 VanDerWaalsContact CG-C 3.49Å; D107-N155 PolarHBondContact N-O 3.21Å; D107-N155 WeakPolarHBondContact OD1-CB 3.13Å; D107-N155 PolarHBondContact OD1-ND2 3.34Å; P111-N155 HydrophobicContact CG-CB 4.26Å; P114-N155 VanDerWaalsContact O-CB 3.28Å; P114-N155 WeakPolarHBondContact O-CB 3.45Å; P114-N155 PolarHBondContact O-N 2.86Å; P114-N155 PolarHBondContact O-OD1 3.03Å; N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 2.93Å
156	N	91.7	Very high	94.9	Very high	51 Å²	51	33 Å²	33	27%	0.273	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.5	175.2	70.8	-11.3	0	0	0	115	R105 D107 Y154 S158	R105-N156 PolarHBondContact NE-O 2.9Å; R105-N156 PolarHBondContact NH2-O 3.06Å; D107-N156 WeakPolarHBondContact OD2-CA 3.43Å; Y154-N156 VanDerWaalsContact CB-OD1 3.23Å; Y154-N156 WeakPolarHBondContact CB-OD1 3.36Å; Y154-N156 PolarHBondContact O-N 2.97Å; Y154-N156 VanDerWaalsContact O-N 3.14Å; N156-S158 PolarHBondContact ND2-OG 2.88Å; N156-S158 WeakPolarHBondContact OD1-CB 3.35Å; N156-S158 PolarHBondContact OD1-N 3.06Å; N156-S158 PolarHBondContact OD1-OG 2.86Å
157	G	91.9	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	95.3	5.1	-175.7	0	0	0	0	0	114.8	D101 Y154 N155	D101-G157 PolarHBondContact N-O 3.11Å; D101-G157 WeakPolarHBondContact O-CA 3.34Å; Y154-G157 PolarHBondContact O-N 2.98Å; N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 2.93Å
158	S	94.8	Very high	95.3	Very high	11 Å²	11	24.8 Å²	24.8	8%	0.077	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.9	171.1	-60.2	0	0	0	0	110.7	W99 I153 Y154 N156	W99-S158 CarbonylContact O-C 3.57Å; W99-S158 VanDerWaalsContact O-CA 3.28Å; W99-S158 WeakPolarHBondContact O-CA 3.33Å; I153-S158 WeakPolarHBondContact CA-O 3.34Å; Y154-S158 PolarHBondContact N-O 3.02Å; N156-S158 PolarHBondContact ND2-OG 2.88Å; N156-S158 WeakPolarHBondContact OD1-CB 3.35Å; N156-S158 PolarHBondContact OD1-N 3.06Å; N156-S158 PolarHBondContact OD1-OG 2.86Å
159	V	95.5	Very high	95.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.3	175.7	-175.4	0	0	0	0	107.8	M98 W99 D101 L104 L151 I153 T161	M98-V159 VanDerWaalsContact CA-O 3.27Å; M98-V159 WeakPolarHBondContact CA-O 3.48Å; W99-V159 HydrophobicContact CD2-CB 4.11Å; W99-V159 HydrophobicContact CH2-CB 4.37Å; W99-V159 HydrophobicContact CH2-CG1 3.81Å; W99-V159 HydrophobicContact CZ2-CB 3.81Å; W99-V159 HydrophobicContact CZ2-CG1 3.5Å; W99-V159 HydrophobicContact CZ2-CG2 4.42Å; W99-V159 HydrophobicContact CZ3-CG1 4.45Å; W99-V159 PolarHBondContact N-O 3.43Å; W99-V159 VanDerWaalsContact N-O 3.13Å; W99-V159 PolarHBondContact O-N 3.42Å; D101-V159 HydrophobicContact CB-CG2 4.49Å; L104-V159 HydrophobicContact CD1-CG2 3.62Å; L151-V159 HydrophobicContact CD1-CG1 3.67Å; I153-V159 HydrophobicContact CG1-CG2 4.37Å; V159-T161 HydrophobicContact CG1-CG2 4.49Å
160	W	96.4	Very high	95.4	Very high	45 Å²	45	23.5 Å²	23.5	17%	0.17	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.5	174.1	177.6	21.7	0	0	0	109.1	W16 W75 N96 E97 M98 F150 M152 Y154	W16-W160 AromaticContact CZ3-CD1 3.92Å; W16-W160 HydrophobicContact CZ3-CD2 4.37Å; W16-W160 HydrophobicContact CZ3-CG 4.19Å; W16-W160 AromaticContact CZ3-NE1 3.98Å; W75-W160 HydrophobicContact CH2-CZ2 4.37Å; N96-W160 PolarHBondContact OD1-NE1 3.49Å; E97-W160 WeakPolarHBondContact O-CA 2.98Å; M98-W160 HydrophobicContact CE-CB 3.79Å; M98-W160 HydrophobicContact CE-CG 4.15Å; F150-W160 AromaticContact CE1-CD2 3.93Å; F150-W160 HydrophobicContact CE1-CD2 3.93Å; F150-W160 AromaticContact CE1-CE3 3.64Å; F150-W160 HydrophobicContact CE1-CE3 3.64Å; F150-W160 HydrophobicContact CE1-CH2 4.14Å; F150-W160 HydrophobicContact CE1-CZ2 4.39Å; F150-W160 AromaticContact CE1-CZ3 3.76Å; F150-W160 HydrophobicContact CE1-CZ3 3.76Å; F150-W160 HydrophobicContact CZ-CE3 4.34Å; F150-W160 HydrophobicContact CZ-CZ3 4.16Å; M152-W160 HydrophobicContact CB-CB 4.45Å; M152-W160 HydrophobicContact CB-CE3 4.33Å; M152-W160 PolarHBondContact N-O 2.85Å; M152-W160 PolarHBondContact O-N 2.97Å; M152-W160 HydrophobicContact SD-CE3 3.95Å; M152-W160 HydrophobicContact SD-CZ3 4.2Å; Y154-W160 HydrophobicContact CE2-CB 4.08Å; Y154-W160 HydrophobicContact CE2-CE3 4.31Å
161	T	96.7	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.3	169.5	52.6	0	0	0	0	110.1	N96 E97 W99 L123 F150 L151 V159 Y163	N96-T161 CarbonylContact C-O 3.35Å; N96-T161 WeakPolarHBondContact CA-O 3.31Å; E97-T161 WeakPolarHBondContact CB-OG1 3.15Å; E97-T161 PolarHBondContact N-O 2.86Å; E97-T161 PolarHBondContact O-N 3.34Å; E97-T161 PolarHBondContact OE2-OG1 2.98Å; W99-T161 HydrophobicContact CH2-CG2 3.57Å; W99-T161 HydrophobicContact CZ3-CG2 3.96Å; W99-T161 WeakPolarHBondContact CZ3-OG1 3.38Å; L123-T161 HydrophobicContact CD1-CG2 3.76Å; L123-T161 HydrophobicContact CD2-CG2 4.41Å; F150-T161 CarbonylContact O-C 3.45Å; F150-T161 VanDerWaalsContact O-CA 3.3Å; F150-T161 WeakPolarHBondContact O-CA 3.42Å; L151-T161 HydrophobicContact CD1-CG2 4.02Å; V159-T161 HydrophobicContact CG1-CG2 4.49Å; T161-Y163 HydrophobicContact CG2-CE2 4.49Å; T161-Y163 WeakPolarHBondContact OG1-CE2 3.19Å
162	N	96.3	Very high	95.1	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.08	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.7	172.2	170.5	-86.6	0	0	0	108.6	Y94 I95 N96 I149 F150	Y94-N162 WeakPolarHBondContact CD1-OD1 3.36Å; I95-N162 CarbonylContact O-C 3.47Å; I95-N162 VanDerWaalsContact O-CA 3.3Å; I95-N162 WeakPolarHBondContact O-CA 3.42Å; N96-N162 WeakPolarHBondContact OD1-CB 3.26Å; N96-N162 PolarHBondContact OD1-ND2 3Å; I149-N162 WeakPolarHBondContact CA-O 3.27Å; F150-N162 HydrophobicContact CB-CB 4.08Å; F150-N162 HydrophobicContact CD1-CB 4.12Å; F150-N162 PolarHBondContact N-O 3.45Å; F150-N162 PolarHBondContact O-N 3.32Å
163	Y	96.7	Very high	94.9	Very high	33 Å²	33	27 Å²	27	13%	0.129	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.3	179.5	-51.9	-99.6	0	0	0	109.5	Y94 I95 L123 I141 I149 T161	Y94-Y163 CarbonylContact C-O 3.55Å; Y94-Y163 VanDerWaalsContact CA-O 3.26Å; Y94-Y163 WeakPolarHBondContact CA-O 3.23Å; I95-Y163 HydrophobicContact CG2-CD2 3.93Å; I95-Y163 HydrophobicContact CG2-CG 4.28Å; I95-Y163 PolarHBondContact N-O 3.25Å; I95-Y163 PolarHBondContact O-N 3.35Å; L123-Y163 HydrophobicContact CD2-CE1 3.98Å; I141-Y163 HydrophobicContact CD1-CD1 4.28Å; I149-Y163 HydrophobicContact CB-CD1 4.33Å; I149-Y163 HydrophobicContact CD1-CD1 3.86Å; I149-Y163 HydrophobicContact CD1-CE1 4Å; I149-Y163 HydrophobicContact CG1-CD1 3.76Å; I149-Y163 HydrophobicContact CG1-CE1 4.26Å; I149-Y163 HydrophobicContact CG2-CD1 3.77Å; I149-Y163 HydrophobicContact CG2-CE1 3.7Å; T161-Y163 HydrophobicContact CG2-CE2 4.49Å; T161-Y163 WeakPolarHBondContact OG1-CE2 3.19Å
164	R	96.5	Very high	94.8	Very high	58 Å²	58	32.3 Å²	32.3	22%	0.219	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	111.5	169.4	-170.4	-175.2	-180	-161	-7.5	109.6	Y94 H142 N148	Y94-R164 HydrophobicContact CD1-CB 3.71Å; Y94-R164 HydrophobicContact CD1-CG 3.94Å; Y94-R164 HydrophobicContact CE1-CB 3.53Å; Y94-R164 HydrophobicContact CE1-CG 3.51Å; Y94-R164 HydrophobicContact CE2-CG 4.22Å; Y94-R164 HydrophobicContact CG-CG 4.49Å; Y94-R164 WeakPolarHBondContact OH-CD 3.23Å; Y94-R164 PolarHBondContact OH-NE 3.29Å; H142-R164 HydrophobicContact CB-CB 4.27Å; H142-R164 HydrophobicContact CB-CG 4.05Å; H142-R164 PolarHBondContact N-O 3.25Å; N148-R164 HydrophobicContact CB-CB 3.85Å; N148-R164 PolarHBondContact O-N 3.23Å; N148-R164 VanDerWaalsContact O-N 3.14Å
165	V	96.8	Very high	94.6	Very high	12 Å²	12	31.5 Å²	31.5	7%	0.073	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.5	-171.2	-164.2	0	0	0	0	110.8	L93 I95 F140 I141 L167	L93-V165 PolarHBondContact N-O 3.06Å; L93-V165 PolarHBondContact O-N 3.01Å; I95-V165 HydrophobicContact CG2-CG2 4.18Å; F140-V165 CarbonylContact O-C 3.52Å; F140-V165 WeakPolarHBondContact O-CA 3.09Å; F140-V165 WeakPolarHBondContact O-CG1 3.28Å; I141-V165 HydrophobicContact CG1-CG2 4.5Å; V165-L167 HydrophobicContact CB-CD2 4.46Å; V165-L167 HydrophobicContact CB-CG 4.31Å; V165-L167 HydrophobicContact CG1-CD2 3.51Å; V165-L167 HydrophobicContact CG1-CG 3.78Å
166	K	97.1	Very high	94.6	Very high	66 Å²	66	32.5 Å²	32.5	29%	0.287	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.7	162.6	-175.7	176.7	-176.4	-169.9	0	108.3	E90 D92 A139 F140	E90-K166 WeakPolarHBondContact OE2-CE 3.39Å; E90-K166 IonicContact OE2-NZ 3.96Å; E90-K166 PolarHBondContact OE2-NZ 3.46Å; D92-K166 VanDerWaalsContact OD1-CA 3.31Å; D92-K166 WeakPolarHBondContact OD1-CA 3.42Å; D92-K166 WeakPolarHBondContact OD1-CB 3.2Å; D92-K166 WeakPolarHBondContact OD1-CG 3.48Å; A139-K166 WeakPolarHBondContact CA-O 3.22Å; F140-K166 HydrophobicContact CB-CB 4.48Å; F140-K166 PolarHBondContact N-O 2.99Å; F140-K166 PolarHBondContact O-N 3.39Å
167	L	97.4	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	-177	-63.1	167.9	0	0	0	110.7	E90 V91 L93 F133 A139 V165 L187	E90-L167 CarbonylContact C-O 3.57Å; E90-L167 WeakPolarHBondContact CA-O 3.48Å; V91-L167 HydrophobicContact CG1-CB 3.92Å; V91-L167 HydrophobicContact CG1-CD1 4.47Å; V91-L167 PolarHBondContact N-O 2.87Å; V91-L167 PolarHBondContact O-N 3.44Å; L93-L167 HydrophobicContact CD1-CD1 4.06Å; L93-L167 HydrophobicContact CD2-CD1 3.63Å; L93-L167 HydrophobicContact CG-CD1 3.84Å; F133-L167 HydrophobicContact CB-CD2 4.33Å; F133-L167 HydrophobicContact CD1-CD1 4.18Å; F133-L167 HydrophobicContact CD2-CD1 3.47Å; F133-L167 VanDerWaalsContact CD2-CD1 3.47Å; F133-L167 HydrophobicContact CD2-CD2 3.61Å; F133-L167 HydrophobicContact CD2-CG 4.19Å; F133-L167 HydrophobicContact CE1-CD1 4.07Å; F133-L167 HydrophobicContact CE2-CD1 3.35Å; F133-L167 HydrophobicContact CE2-CD2 4.22Å; F133-L167 HydrophobicContact CE2-CG 4.38Å; F133-L167 HydrophobicContact CG-CD1 3.88Å; F133-L167 HydrophobicContact CG-CD2 4.12Å; F133-L167 HydrophobicContact CZ-CD1 3.66Å; A139-L167 HydrophobicContact CB-CD2 3.49Å; A139-L167 VanDerWaalsContact CB-CD2 3.49Å; V165-L167 HydrophobicContact CB-CD2 4.46Å; V165-L167 HydrophobicContact CB-CG 4.31Å; V165-L167 HydrophobicContact CG1-CD2 3.51Å; V165-L167 HydrophobicContact CG1-CG 3.78Å; L167-L187 HydrophobicContact CB-CD1 4.42Å; L167-L187 HydrophobicContact CD1-CD1 3.98Å
168	T	97.5	Very high	94.6	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	103.5	166.4	-54.5	0	0	0	0	107.6	D88 F89 E90 K137 E138	D88-T168 HydrophobicContact CB-CG2 3.92Å; F89-T168 CarbonylContact O-C 3.59Å; F89-T168 WeakPolarHBondContact O-CA 3.42Å; E90-T168 HydrophobicContact CG-CG2 4.42Å; K137-T168 HydrophobicContact CB-CG2 4.27Å; K137-T168 PolarHBondContact N-O 3.02Å; E138-T168 PolarHBondContact N-O 2.9Å; E138-T168 PolarHBondContact O-N 3.43Å
169	G	96.8	Very high	94.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	149.8	-179	0	0	0	0	0	112.4	D88 F89	D88-G169 CarbonylContact C-O 3.56Å; D88-G169 WeakPolarHBondContact CA-O 3.35Å; D88-G169 WeakPolarHBondContact CB-O 3.29Å; F89-G169 VanDerWaalsContact CD1-O 3.28Å; F89-G169 WeakPolarHBondContact CD1-O 3.48Å; F89-G169 PolarHBondContact N-O 3.22Å; F89-G169 PolarHBondContact O-N 2.99Å
170	P	96.5	Very high	94.3	Very high	31 Å²	31	33.3 Å²	33.3	20%	0.201	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	144.3	172.8	30.6	-34.8	0	0	0	110.3	N135	N135-P170 HydrophobicContact CB-CG 4.3Å; N135-P170 WeakPolarHBondContact O-CD 3.23Å; N135-P170 VanDerWaalsContact O-CG 3.23Å; N135-P170 WeakPolarHBondContact O-CG 3.49Å
171	C	95	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.			trans	-135.2	106.2	172.3	-165.2	0	0	0	0	110.2	Q87 F89 M173 C185	Q87-C171 CarbonylContact C-O 3.58Å; Q87-C171 WeakPolarHBondContact CB-O 3.42Å; Q87-C171 PolarHBondContact O-N 3.37Å; F89-C171 HydrophobicContact CD1-CB 4.19Å; C171-M173 HydrophobicContact CB-CE 4.27Å; C171-M173 WeakPolarHBondContact O-CG 3.24Å; C171-M173 PolarHBondContact O-N 3.09Å; C171-C185 HydrophobicContact CB-CB 3.63Å; C171-C185 WeakPolarHBondContact CB-SG 3.48Å; C171-C185 WeakPolarHBondContact SG-CB 3.02Å; C171-C185 CovalentContact SG-SG 2.03Å; C171-C185 PolarHBondContact SG-SG 3.45Å
172	Q	90.3	Very high	93.8	Very high	149 Å²	149	33.9 Å²	33.9	70%	0.696	16%	0.16	S	C	*	.			trans	-74.9	96	176.3	-66.6	-62.3	-29.4	0	0	109.3
173	M	90.2	Very high	93.7	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.074	16%	0.157	C	C	.	.			trans	-81.3	135.7	-172.3	-59.5	-164	-173.4	0	0	113.3	I82 S83 E84 C171	I82-M173 HydrophobicContact CG2-CE 3.51Å; S83-M173 VanDerWaalsContact C-CE 3.49Å; S83-M173 WeakPolarHBondContact O-CE 3.3Å; E84-M173 VanDerWaalsContact CA-SD 3.51Å; E84-M173 HydrophobicContact CB-SD 3.93Å; E84-M173 HydrophobicContact CG-CE 4.21Å; E84-M173 HydrophobicContact CG-SD 3.47Å; E84-M173 WeakPolarHBondContact CG-SD 3.35Å; C171-M173 HydrophobicContact CB-CE 4.27Å; C171-M173 WeakPolarHBondContact O-CG 3.24Å; C171-M173 PolarHBondContact O-N 3.09Å
174	E	90.8	Very high	93.6	Very high	113 Å²	113	38.1 Å²	38.1	53%	0.528	18%	0.178	S	C	.	.			trans	-107.9	97	177.6	-165.8	176.5	-137.5	0	0	109.9	Q176 Q183	E174-Q176 VanDerWaalsContact CG-CD 3.45Å; E174-Q183 PolarHBondContact O-NE2 3.27Å
175	L	91.2	Very high	93.6	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.168	C	C	.	.			trans	-96.9	8	-173.2	-58.5	176.8	0	0	0	113.9	R177 F178 P307 V309 Y311 K313	L175-R177 PolarHBondContact O-N 3.4Å; L175-R177 VanDerWaalsContact O-N 3.12Å; L175-F178 HydrophobicContact CB-CB 4.26Å; L175-F178 HydrophobicContact CD2-CD2 4.29Å; L175-F178 WeakPolarHBondContact O-CB 3.4Å; L175-F178 PolarHBondContact O-N 3.24Å; L175-P307 HydrophobicContact CD1-CG 3.72Å; L175-V309 HydrophobicContact CD1-CG1 4.1Å; L175-Y311 HydrophobicContact CB-CE2 4.07Å; L175-Y311 WeakPolarHBondContact CB-OH 3.39Å; L175-Y311 PolarHBondContact N-OH 3.48Å; L175-K313 HydrophobicContact CB-CD 4.26Å; L175-K313 HydrophobicContact CB-CG 4.47Å; L175-K313 WeakPolarHBondContact O-CG 3.34Å
176	Q	91.6	Very high	93.5	Very high	70 Å²	70	37 Å²	37	33%	0.327	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.3	-177.2	-72.7	82.4	-36.3	0	0	111.3	E174 Y311 A314	E174-Q176 VanDerWaalsContact CG-CD 3.45Å; Q176-Y311 HydrophobicContact CG-CD2 3.8Å; Q176-Y311 HydrophobicContact CG-CE2 3.92Å; Q176-Y311 HydrophobicContact CG-CG 4.44Å; Q176-A314 PolarHBondContact O-N 2.62Å
177	R	90.7	Very high	93.5	Very high	62 Å²	62	33.9 Å²	33.9	23%	0.234	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	11.5	178.9	-62.6	-167.4	-173	118.2	20.6	114.4	L175 M180 Y455 Y458	L175-R177 PolarHBondContact O-N 3.4Å; L175-R177 VanDerWaalsContact O-N 3.12Å; R177-M180 CarbonylContact O-C 3.57Å; R177-M180 WeakPolarHBondContact O-CA 3.4Å; R177-M180 PolarHBondContact O-N 3.22Å; R177-Y455 HydrophobicContact CG-CD1 4.39Å; R177-Y458 VanDerWaalsContact NH1-CE1 3.3Å; R177-Y458 VanDerWaalsContact NH2-CD1 3.31Å
178	F	92.6	Very high	93.5	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	131.6	-178.9	176	-85.8	0	0	0	111.7	L175 Y255 L306 I315	L175-F178 HydrophobicContact CB-CB 4.26Å; L175-F178 HydrophobicContact CD2-CD2 4.29Å; L175-F178 WeakPolarHBondContact O-CB 3.4Å; L175-F178 PolarHBondContact O-N 3.24Å; F178-Y255 HydrophobicContact CE1-CD1 4.1Å; F178-Y255 HydrophobicContact CE1-CE1 4.39Å; F178-Y255 HydrophobicContact CE2-CD1 4.33Å; F178-Y255 AromaticContact CE2-CE1 3.91Å; F178-Y255 HydrophobicContact CE2-CE1 3.91Å; F178-Y255 AromaticContact CZ-CD1 3.45Å; F178-Y255 HydrophobicContact CZ-CD1 3.45Å; F178-Y255 VanDerWaalsContact CZ-CD1 3.45Å; F178-Y255 AromaticContact CZ-CE1 3.34Å; F178-Y255 HydrophobicContact CZ-CE1 3.34Å; F178-Y255 HydrophobicContact CZ-CG 4.14Å; F178-Y255 AromaticContact CZ-CZ 3.93Å; F178-L306 HydrophobicContact CD1-CD1 3.9Å; F178-L306 HydrophobicContact CD2-CD2 4.25Å; F178-L306 HydrophobicContact CE1-CD1 3.51Å; F178-L306 HydrophobicContact CE1-CD2 4.13Å; F178-L306 HydrophobicContact CE1-CG 4.41Å; F178-L306 HydrophobicContact CE2-CD1 4.33Å; F178-L306 HydrophobicContact CE2-CD2 3.5Å; F178-L306 HydrophobicContact CG-CD1 4.47Å; F178-L306 HydrophobicContact CZ-CD1 3.72Å; F178-L306 HydrophobicContact CZ-CD2 3.43Å; F178-L306 VanDerWaalsContact CZ-CD2 3.43Å; F178-L306 HydrophobicContact CZ-CG 4.14Å; F178-I315 HydrophobicContact CD1-CB 4.21Å; F178-I315 HydrophobicContact CD1-CD1 4.47Å; F178-I315 HydrophobicContact CD1-CG2 3.74Å; F178-I315 HydrophobicContact CE1-CD1 4.05Å; F178-I315 HydrophobicContact CE1-CG2 4.2Å; F178-I315 PolarHBondContact O-N 3.48Å
179	P	91.4	Very high	93.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	7.9	6.8	37.4	-37.7	0	0	0	115.1	D181 R250 Y252 Y255 Y260	P179-D181 WeakPolarHBondContact CA-OD1 3.43Å; P179-D181 PolarHBondContact O-N 2.96Å; P179-D181 VanDerWaalsContact O-OD1 3.04Å; P179-R250 WeakPolarHBondContact O-CD 3.45Å; P179-Y252 WeakPolarHBondContact O-CB 3.41Å; P179-Y255 HydrophobicContact CB-CD2 3.87Å; P179-Y255 HydrophobicContact CB-CG 3.85Å; P179-Y255 HydrophobicContact CG-CG 4.41Å; P179-Y260 HydrophobicContact CG-CE2 4.3Å
180	M	91.2	Very high	93.5	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.079	17%	0.171	C	C	.	.	S	Bend	trans	-92	33.7	-179.2	-61.6	156.5	-132.6	0	0	111.7	R177 Y252 W452 V456	R177-M180 CarbonylContact O-C 3.57Å; R177-M180 WeakPolarHBondContact O-CA 3.4Å; R177-M180 PolarHBondContact O-N 3.22Å; M180-Y252 HydrophobicContact CG-CD1 4.37Å; M180-Y252 HydrophobicContact CG-CG 4.41Å; M180-W452 HydrophobicContact CE-CE3 3.99Å; M180-W452 HydrophobicContact CE-CH2 3.89Å; M180-W452 HydrophobicContact CE-CZ3 3.26Å; M180-W452 HydrophobicContact SD-CZ3 4.2Å; M180-V456 HydrophobicContact CE-CG2 4.47Å; M180-V456 HydrophobicContact SD-CG2 3.42Å; M180-V456 WeakPolarHBondContact SD-CG2 3.06Å
181	D	91.6	Very high	93.5	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	16%	0.161	C	C	.	.			trans	-86.7	156.9	-176.5	54.6	-42.3	0	0	0	112.6	P179 Q183 R250	P179-D181 WeakPolarHBondContact CA-OD1 3.43Å; P179-D181 PolarHBondContact O-N 2.96Å; P179-D181 VanDerWaalsContact O-OD1 3.04Å; D181-Q183 PolarHBondContact OD2-NE2 3.05Å; D181-R250 VanDerWaalsContact CG-NE 3.33Å; D181-R250 PolarHBondContact O-N 3.42Å; D181-R250 VanDerWaalsContact OD1-CD 3.28Å; D181-R250 WeakPolarHBondContact OD1-CD 3.33Å; D181-R250 IonicContact OD1-CZ 3.39Å; D181-R250 IonicContact OD1-NE 3.5Å; D181-R250 PolarHBondContact OD1-NE 3.2Å; D181-R250 IonicContact OD1-NH2 2.98Å; D181-R250 IonicContact OD2-CZ 3Å; D181-R250 IonicContact OD2-NE 2.62Å; D181-R250 PolarHBondContact OD2-NE 3.12Å; D181-R250 VanDerWaalsContact OD2-NE 3.11Å; D181-R250 IonicContact OD2-NH2 2.71Å; D181-R250 PolarHBondContact OD2-NH2 3.41Å
182	V	92.2	Very high	93.5	Very high	54 Å²	54	40.1 Å²	40.1	33%	0.327	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.9	172.9	176.2	0	0	0	0	106.5	I247 F248	V182-I247 HydrophobicContact CG1-CG2 3.6Å; V182-F248 CarbonylContact C-O 3.6Å; V182-F248 WeakPolarHBondContact CA-O 3.21Å; V182-F248 WeakPolarHBondContact CG1-O 3.31Å
183	Q	93	Very high	93.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.1	-178.4	-56.7	-53.6	-25.4	0	0	110.1	E174 D181 F220 F248	E174-Q183 PolarHBondContact O-NE2 3.27Å; D181-Q183 PolarHBondContact OD2-NE2 3.05Å; Q183-F220 HydrophobicContact CG-CE1 4.14Å; Q183-F248 HydrophobicContact CB-CB 4.45Å; Q183-F248 PolarHBondContact N-O 2.82Å; Q183-F248 PolarHBondContact O-N 2.86Å
184	K	94.6	Very high	93.9	Very high	135 Å²	135	38.1 Å²	38.1	59%	0.587	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117	119.1	175.9	-64.3	-177.2	-179.6	-179.3	0	108.2	F246 I247	K184-F246 WeakPolarHBondContact CA-O 3.34Å; K184-I247 HydrophobicContact CG-CG1 4.46Å
185	C	96.2	Very high	94.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.3	176	-41.7	0	0	0	0	108.6	F89 C171 T245 F246 F248	F89-C185 HydrophobicContact CD1-CB 3.44Å; F89-C185 VanDerWaalsContact CD1-CB 3.44Å; F89-C185 HydrophobicContact CE1-CB 3.36Å; F89-C185 HydrophobicContact CG-CB 4.09Å; F89-C185 HydrophobicContact CZ-CB 3.94Å; C171-C185 HydrophobicContact CB-CB 3.63Å; C171-C185 WeakPolarHBondContact CB-SG 3.48Å; C171-C185 WeakPolarHBondContact SG-CB 3.02Å; C171-C185 CovalentContact SG-SG 2.03Å; C171-C185 PolarHBondContact SG-SG 3.45Å; C185-T245 CarbonylContact O-C 3.56Å; C185-T245 WeakPolarHBondContact O-CA 3.09Å; C185-F246 PolarHBondContact N-O 3.39Å; C185-F246 PolarHBondContact O-N 3.15Å; C185-F248 HydrophobicContact CB-CE2 4.23Å
186	S	96.4	Very high	94.4	Very high	45 Å²	45	36.4 Å²	36.4	32%	0.315	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.2	-177	56.2	0	0	0	0	112.2	N135 I244	N135-S186 PolarHBondContact ND2-O 3.35Å; S186-I244 CarbonylContact C-O 3.58Å; S186-I244 VanDerWaalsContact CA-O 3.23Å; S186-I244 WeakPolarHBondContact CA-O 3.39Å
187	L	97.3	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.4	168.8	-79.3	169.4	0	0	0	108.4	F89 V91 L93 F133 N135 L167 T243 I244 F246	F89-L187 HydrophobicContact CE1-CG 4.31Å; F89-L187 HydrophobicContact CE2-CD1 4.09Å; F89-L187 HydrophobicContact CZ-CD1 3.74Å; F89-L187 HydrophobicContact CZ-CD2 4.47Å; F89-L187 HydrophobicContact CZ-CG 3.67Å; V91-L187 HydrophobicContact CG1-CD1 3.54Å; L93-L187 HydrophobicContact CD2-CD1 4.45Å; F133-L187 HydrophobicContact CD1-CB 3.9Å; F133-L187 HydrophobicContact CD1-CD2 4.33Å; F133-L187 HydrophobicContact CE1-CB 4.07Å; N135-L187 WeakPolarHBondContact OD1-CA 3.02Å; L167-L187 HydrophobicContact CB-CD1 4.42Å; L167-L187 HydrophobicContact CD1-CD1 3.98Å; L187-T243 CarbonylContact O-C 3.59Å; L187-T243 WeakPolarHBondContact O-CA 3.45Å; L187-I244 PolarHBondContact N-O 2.77Å; L187-I244 PolarHBondContact O-N 2.92Å; L187-F246 HydrophobicContact CD1-CE2 4.05Å
188	T	97.3	Very high	94.6	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.9	-177.4	-58.2	0	0	0	0	108.9	F133 I134 N135 E241 T243	F133-T188 CarbonylContact C-O 3.6Å; F133-T188 VanDerWaalsContact CA-O 3.22Å; F133-T188 WeakPolarHBondContact CA-O 3.15Å; I134-T188 HydrophobicContact CD1-CG2 4.02Å; I134-T188 HydrophobicContact CG1-CG2 3.84Å; I134-T188 PolarHBondContact N-O 3.49Å; N135-T188 PolarHBondContact OD1-N 2.9Å; T188-E241 HydrophobicContact CG2-CB 3.82Å; T188-E241 HydrophobicContact CG2-CG 3.88Å; T188-T243 WeakPolarHBondContact CG2-OG1 3.47Å; T188-T243 PolarHBondContact OG1-OG1 3.37Å
189	F	97.7	Very high	94.8	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.8	-177.1	-166.5	-110.6	0	0	0	109.9	V72 I95 E97 T131 C132 F133 M201 L242	V72-F189 HydrophobicContact CG1-CD1 4.08Å; V72-F189 HydrophobicContact CG1-CE1 4.09Å; V72-F189 HydrophobicContact CG2-CD1 4.46Å; V72-F189 HydrophobicContact CG2-CE1 4.24Å; I95-F189 HydrophobicContact CD1-CD1 4.31Å; I95-F189 HydrophobicContact CD1-CE1 4.15Å; I95-F189 HydrophobicContact CD1-CZ 4.29Å; I95-F189 HydrophobicContact CG1-CE1 3.95Å; I95-F189 HydrophobicContact CG1-CE2 4.09Å; I95-F189 HydrophobicContact CG1-CZ 3.68Å; E97-F189 WeakPolarHBondContact OE1-CE1 3.24Å; E97-F189 VanDerWaalsContact OE1-CZ 3.22Å; E97-F189 WeakPolarHBondContact OE1-CZ 3.49Å; T131-F189 HydrophobicContact CG2-CE1 4.03Å; T131-F189 HydrophobicContact CG2-CZ 4.2Å; T131-F189 VanDerWaalsContact OG1-CZ 3.32Å; T131-F189 WeakPolarHBondContact OG1-CZ 3.45Å; C132-F189 WeakPolarHBondContact O-CA 3.43Å; C132-F189 WeakPolarHBondContact O-CD2 3.4Å; F133-F189 HydrophobicContact CD1-CB 4.09Å; F133-F189 AromaticContact CD1-CD2 3.89Å; F133-F189 HydrophobicContact CD1-CD2 3.89Å; F133-F189 HydrophobicContact CD1-CG 4.48Å; F133-F189 AromaticContact CD2-CD2 3.76Å; F133-F189 HydrophobicContact CD2-CD2 3.76Å; F133-F189 HydrophobicContact CD2-CE2 4.06Å; F133-F189 HydrophobicContact CE1-CB 3.89Å; F133-F189 AromaticContact CE1-CD2 3.78Å; F133-F189 HydrophobicContact CE1-CD2 3.78Å; F133-F189 HydrophobicContact CE1-CG 4.19Å; F133-F189 AromaticContact CE2-CD2 3.62Å; F133-F189 HydrophobicContact CE2-CD2 3.62Å; F133-F189 AromaticContact CE2-CE2 3.83Å; F133-F189 HydrophobicContact CE2-CE2 3.83Å; F133-F189 AromaticContact CG-CD2 3.9Å; F133-F189 HydrophobicContact CG-CD2 3.9Å; F133-F189 HydrophobicContact CZ-CB 4.45Å; F133-F189 AromaticContact CZ-CD2 3.65Å; F133-F189 HydrophobicContact CZ-CD2 3.65Å; F133-F189 HydrophobicContact CZ-CE2 4.2Å; F133-F189 HydrophobicContact CZ-CG 4.29Å; F189-M201 HydrophobicContact CD1-CE 3.63Å; F189-M201 HydrophobicContact CE1-CE 4.21Å; F189-M201 HydrophobicContact CG-CE 4.46Å; F189-M201 VanDerWaalsContact O-CE 3.29Å; F189-M201 WeakPolarHBondContact O-CE 3.05Å; F189-L242 HydrophobicContact CB-CB 4.36Å; F189-L242 PolarHBondContact N-O 3.43Å; F189-L242 PolarHBondContact O-N 3.48Å
190	E	96.5	Very high	95.1	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.6	-168.9	162.4	-175.9	150	0	0	110.5	T131 C132 I134 M201 Y234 W239	T131-E190 CarbonylContact C-O 3.56Å; T131-E190 WeakPolarHBondContact CA-O 3.29Å; C132-E190 PolarHBondContact N-O 3.37Å; C132-E190 PolarHBondContact O-N 3.28Å; C132-E190 VanDerWaalsContact O-N 3.08Å; I134-E190 HydrophobicContact CG2-CB 3.86Å; I134-E190 HydrophobicContact CG2-CG 4.21Å; E190-M201 VanDerWaalsContact C-SD 3.58Å; E190-Y234 PolarHBondContact OE2-OH 3.07Å; E190-W239 HydrophobicContact CG-CB 4.43Å; E190-W239 HydrophobicContact CG-CG 4.39Å
191	S	96.3	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114.4	165.8	49.1	0	0	0	0	112	P129 N193 Y194 M201 W239	P129-S191 WeakPolarHBondContact O-CB 3.49Å; S191-N193 PolarHBondContact O-N 3.12Å; S191-Y194 PolarHBondContact OG-O 3.29Å; S191-M201 PolarHBondContact N-SD 3Å; S191-W239 PolarHBondContact O-NE1 2.84Å
192	F	95.3	Very high	95.6	Very high	142 Å²	142	40.7 Å²	40.7	62%	0.623	22%	0.215	S	C	*	.	S	Bend	trans	-65.8	-33.5	-174.1	-170.3	-108.7	0	0	0	114.2	N130	N130-F192 VanDerWaalsContact O-CB 3.31Å; N130-F192 WeakPolarHBondContact O-CB 3.49Å; N130-F192 PolarHBondContact O-N 3.47Å
193	N	93.5	Very high	95.8	Very high	91 Å²	91	39.4 Å²	39.4	49%	0.487	21%	0.205	S	C	.	.	S	Bend	trans	-108.6	-16.8	-171.7	-75.8	-2.5	0	0	0	115	N130 S191	N130-N193 HydrophobicContact CB-CB 4.41Å; N130-N193 PolarHBondContact ND2-ND2 3.44Å; N130-N193 VanDerWaalsContact ND2-ND2 3.16Å; S191-N193 PolarHBondContact O-N 3.12Å
194	Y	95	Very high	95.9	Very high	31 Å²	31	39.7 Å²	39.7	12%	0.122	21%	0.207	C	C	.	.			trans	-121.7	130.1	-166.2	-61.4	-65.1	0	0	0	110.4	L62 W127 P129 N130 S191 E198 V199 W239	L62-Y194 HydrophobicContact CD2-CD1 4.38Å; L62-Y194 HydrophobicContact CD2-CE1 4.29Å; W127-Y194 HydrophobicContact CZ2-CD2 4.3Å; W127-Y194 AromaticContact CZ2-CE2 3.94Å; W127-Y194 HydrophobicContact CZ2-CE2 3.94Å; W127-Y194 AromaticContact NE1-CE2 3.95Å; W127-Y194 AromaticContact NE1-CZ 3.55Å; W127-Y194 PolarHBondContact NE1-OH 3.39Å; W127-Y194 VanDerWaalsContact NE1-OH 3.11Å; P129-Y194 WeakPolarHBondContact O-CD2 3.18Å; N130-Y194 HydrophobicContact CB-CD2 4.49Å; N130-Y194 HydrophobicContact CB-CE2 4.19Å; S191-Y194 PolarHBondContact OG-O 3.29Å; Y194-E198 HydrophobicContact CD1-CB 4.22Å; Y194-V199 VanDerWaalsContact CB-CG2 3.43Å; Y194-V199 HydrophobicContact CD2-CG2 3.8Å; Y194-V199 HydrophobicContact CG-CG2 3.7Å; Y194-W239 PolarHBondContact O-NE1 3.03Å
195	N	95.5	Very high	95.6	Very high	41 Å²	41	39.2 Å²	39.2	22%	0.219	21%	0.212	C	C	.	.			trans	-80.1	173.7	176.6	67	34.9	0	0	0	111.6	A197 E198 V199 F238 W239	N195-A197 PolarHBondContact O-N 2.61Å; N195-A197 VanDerWaalsContact O-N 3.09Å; N195-A197 WeakPolarHBondContact OD1-CA 3.28Å; N195-A197 WeakPolarHBondContact OD1-CB 3.36Å; N195-A197 PolarHBondContact OD1-N 3.38Å; N195-E198 PolarHBondContact N-OE2 2.94Å; N195-E198 PolarHBondContact O-N 3.13Å; N195-E198 PolarHBondContact OD1-N 3.45Å; N195-V199 PolarHBondContact O-N 2.85Å; N195-F238 CarbonylContact C-O 3.58Å; N195-F238 WeakPolarHBondContact CA-O 3.48Å; N195-F238 WeakPolarHBondContact CB-O 3.44Å; N195-W239 HydrophobicContact CB-CD2 4.22Å; N195-W239 HydrophobicContact CB-CE3 4.13Å; N195-W239 HydrophobicContact CB-CH2 3.64Å; N195-W239 HydrophobicContact CB-CZ2 3.79Å; N195-W239 HydrophobicContact CB-CZ3 3.86Å
196	V	95.6	Very high	95.2	Very high	39 Å²	39	41.2 Å²	41.2	24%	0.236	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.1	178.7	129.2	0	0	0	0	114.1	E198 V199 E231 F238 D240	V196-E198 VanDerWaalsContact C-N 3.3Å; V196-V199 WeakPolarHBondContact CA-O 3.48Å; V196-E231 HydrophobicContact CG2-CG 4.49Å; V196-F238 HydrophobicContact CB-CB 4.43Å; V196-F238 WeakPolarHBondContact CB-O 3.47Å; V196-F238 PolarHBondContact N-O 3.02Å; V196-D240 HydrophobicContact CG2-CB 4.28Å; V196-D240 WeakPolarHBondContact CG2-OD1 3.41Å; V196-D240 WeakPolarHBondContact CG2-OD2 3.41Å
197	A	93.2	Very high	94.8	Very high	75 Å²	75	43.9 Å²	43.9	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.1	-179.8	0	0	0	0	0	112.3	G67 N195	G67-A197 WeakPolarHBondContact CA-O 3.37Å; N195-A197 PolarHBondContact O-N 2.61Å; N195-A197 VanDerWaalsContact O-N 3.09Å; N195-A197 WeakPolarHBondContact OD1-CA 3.28Å; N195-A197 WeakPolarHBondContact OD1-CB 3.36Å; N195-A197 PolarHBondContact OD1-N 3.38Å
198	E	95.3	Very high	94.6	Very high	64 Å²	64	45.3 Å²	45.3	30%	0.299	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-43.4	179.1	-64.9	177.9	115.5	0	0	112	L62 G67 M68 Y194 N195 V196	L62-E198 HydrophobicContact CD1-CB 3.93Å; L62-E198 HydrophobicContact CD1-CG 3.89Å; L62-E198 HydrophobicContact CD2-CB 4.34Å; G67-E198 CarbonylContact C-O 3.54Å; G67-E198 WeakPolarHBondContact CA-O 3.4Å; M68-E198 PolarHBondContact N-O 3.38Å; Y194-E198 HydrophobicContact CD1-CB 4.22Å; N195-E198 PolarHBondContact N-OE2 2.94Å; N195-E198 PolarHBondContact O-N 3.13Å; N195-E198 PolarHBondContact OD1-N 3.45Å; V196-E198 VanDerWaalsContact C-N 3.3Å
199	V	96.6	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	111.1	-179.7	174.8	0	0	0	0	108.7	M68 V70 W127 P129 Y194 N195 V196 M201	M68-V199 HydrophobicContact CB-CG2 4.46Å; M68-V199 CarbonylContact O-C 3.45Å; M68-V199 WeakPolarHBondContact O-CA 3.37Å; V70-V199 HydrophobicContact CB-CG1 4.42Å; V70-V199 HydrophobicContact CG2-CG1 3.72Å; W127-V199 HydrophobicContact CH2-CG2 3.95Å; W127-V199 HydrophobicContact CZ2-CG2 3.93Å; P129-V199 HydrophobicContact CB-CG1 4.33Å; Y194-V199 VanDerWaalsContact CB-CG2 3.43Å; Y194-V199 HydrophobicContact CD2-CG2 3.8Å; Y194-V199 HydrophobicContact CG-CG2 3.7Å; N195-V199 PolarHBondContact O-N 2.85Å; V196-V199 WeakPolarHBondContact CA-O 3.48Å; V199-M201 HydrophobicContact CG1-CG 3.95Å
200	H	96.7	Very high	94.1	Very high	79 Å²	79	47.6 Å²	47.6	37%	0.366	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.1	172	-176.4	52.2	0	0	0	109.3	M68 K69 V70 V202 D240	M68-H200 PolarHBondContact O-N 3.3Å; K69-H200 WeakPolarHBondContact CA-O 3.44Å; V70-H200 PolarHBondContact N-O 2.86Å; H200-V202 VanDerWaalsContact NE2-CG1 3.34Å; H200-V202 WeakPolarHBondContact NE2-CG1 3.19Å; H200-D240 WeakPolarHBondContact CA-OD2 3.13Å; H200-D240 IonicContact CE1-OD1 3.54Å; H200-D240 IonicContact CE1-OD2 2.81Å; H200-D240 IonicContact CG-OD2 3.96Å; H200-D240 IonicContact ND1-OD1 3.77Å; H200-D240 IonicContact ND1-OD2 3.35Å; H200-D240 PolarHBondContact ND1-OD2 3.12Å
201	M	96.5	Very high	93.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.9	-179.5	-67.8	-170.7	15.6	0	0	111	V70 T131 F189 E190 S191 V199 D240 L242	V70-M201 HydrophobicContact CB-CG 4.42Å; V70-M201 WeakPolarHBondContact O-CA 3.47Å; T131-M201 HydrophobicContact CG2-SD 3.7Å; F189-M201 HydrophobicContact CD1-CE 3.63Å; F189-M201 HydrophobicContact CE1-CE 4.21Å; F189-M201 HydrophobicContact CG-CE 4.46Å; F189-M201 VanDerWaalsContact O-CE 3.29Å; F189-M201 WeakPolarHBondContact O-CE 3.05Å; E190-M201 VanDerWaalsContact C-SD 3.58Å; S191-M201 PolarHBondContact N-SD 3Å; V199-M201 HydrophobicContact CG1-CG 3.95Å; M201-D240 HydrophobicContact CB-CB 3.94Å; M201-D240 PolarHBondContact N-OD2 3.08Å; M201-L242 HydrophobicContact CB-CD1 4.02Å; M201-L242 HydrophobicContact CB-CG 4.13Å; M201-L242 HydrophobicContact CE-CB 4.21Å; M201-L242 HydrophobicContact CE-CD1 3.7Å; M201-L242 HydrophobicContact CE-CG 3.72Å
202	V	96.8	Very high	93.4	Very high	24 Å²	24	56.3 Å²	56.3	15%	0.145	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.7	177.1	-61.4	0	0	0	0	111.5	K69 V70 R71 V72 H200	K69-V202 HydrophobicContact CD-CG2 4.47Å; K69-V202 HydrophobicContact CG-CG2 4.27Å; V70-V202 PolarHBondContact O-N 3.35Å; R71-V202 CarbonylContact C-O 3.54Å; R71-V202 WeakPolarHBondContact CA-O 3.47Å; R71-V202 HydrophobicContact CG-CG2 3.84Å; V72-V202 PolarHBondContact N-O 2.98Å; H200-V202 VanDerWaalsContact NE2-CG1 3.34Å; H200-V202 WeakPolarHBondContact NE2-CG1 3.19Å
203	W	97.3	Very high	92.5	Very high	27 Å²	27	51.1 Å²	51.1	10%	0.102	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	150.3	164.8	-72.5	121.5	0	0	0	111	V72 P208 A227 T228 L242 I244	V72-W203 HydrophobicContact CB-CE3 4.37Å; V72-W203 HydrophobicContact CB-CZ3 4.39Å; V72-W203 HydrophobicContact CG1-CE3 4.31Å; V72-W203 HydrophobicContact CG1-CZ3 3.84Å; V72-W203 CarbonylContact O-C 3.49Å; V72-W203 WeakPolarHBondContact O-CA 3.31Å; W203-P208 HydrophobicContact CB-CB 3.78Å; W203-P208 HydrophobicContact CB-CG 4.31Å; W203-P208 HydrophobicContact CD2-CB 4.14Å; W203-P208 HydrophobicContact CE3-CB 3.9Å; W203-P208 HydrophobicContact CG-CB 4.13Å; W203-A227 HydrophobicContact CD2-CB 4.26Å; W203-A227 HydrophobicContact CG-CB 4.32Å; W203-T228 PolarHBondContact NE1-O 3.26Å; W203-L242 HydrophobicContact CD2-CB 4.33Å; W203-L242 HydrophobicContact CD2-CD1 4.15Å; W203-L242 HydrophobicContact CD2-CD2 4.42Å; W203-L242 HydrophobicContact CE3-CD1 4.33Å; W203-L242 HydrophobicContact CG-CD2 4.21Å; W203-L242 HydrophobicContact CH2-CB 4.08Å; W203-L242 HydrophobicContact CZ2-CB 3.52Å; W203-I244 HydrophobicContact CH2-CD1 3.81Å; W203-I244 HydrophobicContact CH2-CG1 3.5Å; W203-I244 VanDerWaalsContact CH2-CG1 3.5Å; W203-I244 HydrophobicContact CZ2-CG1 3.72Å
204	A	93.8	Very high	91.5	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.299	C	S	.	.			trans	-59.1	142.5	168.3	0	0	0	0	0	111	V72 D73 T206	V72-A204 PolarHBondContact O-N 3.26Å; D73-A204 HydrophobicContact CB-CB 3.99Å; A204-T206 VanDerWaalsContact C-N 3.28Å; A204-T206 PolarHBondContact O-N 3.11Å
205	D	88.4	Confident	90.7	Very high	126 Å²	126	51 Å²	51	67%	0.674	31%	0.305	S	S	*	.	S	Bend	trans	-65.9	-32.8	-173.9	-61.3	-51	0	0	0	111.7	D15	D15-D205 PolarHBondContact OD2-N 2.88Å
206	T	87.5	Confident	89.9	Confident	43 Å²	43	56.8 Å²	56.8	26%	0.264	33%	0.33	S	S	.	.	S	Bend	trans	-112.8	124	178.3	60.6	0	0	0	0	111.8	D15 A204	D15-T206 WeakPolarHBondContact OD2-CB 3.47Å; D15-T206 PolarHBondContact OD2-N 3.31Å; D15-T206 PolarHBondContact OD2-OG1 2.65Å; A204-T206 VanDerWaalsContact C-N 3.28Å; A204-T206 PolarHBondContact O-N 3.11Å
207	N	88.3	Confident	89.6	Confident	101 Å²	101	55.3 Å²	55.3	54%	0.54	32%	0.321	S	S	.	.			trans	42.2	64	175.5	-65.1	-30.2	0	0	0	113.9	I209	N207-I209 PolarHBondContact O-N 3.26Å
208	P	92.6	Very high	89.3	Confident	29 Å²	29	56.5 Å²	56.5	19%	0.188	32%	0.323	C	S	.	.	S	Bend	trans	-61.9	-19.1	-177	26.3	-35.9	0	0	0	113.5	D73 T74 W203 A227	D73-P208 CarbonylContact C-O 3.54Å; D73-P208 WeakPolarHBondContact CA-O 3.46Å; T74-P208 PolarHBondContact N-O 3.45Å; W203-P208 HydrophobicContact CB-CB 3.78Å; W203-P208 HydrophobicContact CB-CG 4.31Å; W203-P208 HydrophobicContact CD2-CB 4.14Å; W203-P208 HydrophobicContact CE3-CB 3.9Å; W203-P208 HydrophobicContact CG-CB 4.13Å; P208-A227 HydrophobicContact CG-CB 3.93Å
209	I	93.7	Very high	89	Confident	29 Å²	29	57 Å²	57	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.7	177.1	-55.9	175.1	0	0	0	108.7	T74 I76 N207 V225 A227 I244	T74-I209 WeakPolarHBondContact O-CA 3.41Å; I76-I209 HydrophobicContact CD1-CG2 3.51Å; I76-I209 HydrophobicContact CG1-CG2 4.27Å; N207-I209 PolarHBondContact O-N 3.26Å; I209-V225 HydrophobicContact CD1-CG1 3.79Å; I209-V225 HydrophobicContact CG2-CB 4.44Å; I209-V225 HydrophobicContact CG2-CG1 3.96Å; I209-A227 HydrophobicContact CD1-CB 3.53Å; I209-A227 HydrophobicContact CG1-CB 4.03Å; I209-I244 HydrophobicContact CD1-CB 4.42Å; I209-I244 HydrophobicContact CD1-CG1 4.12Å; I209-I244 HydrophobicContact CD1-CG2 3.82Å
210	S	92.6	Very high	88.8	Confident	38 Å²	38	57.2 Å²	57.2	27%	0.266	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.9	175.8	-68.1	0	0	0	0	110.8	T74 W75 I76	T74-S210 PolarHBondContact O-N 3.16Å; W75-S210 CarbonylContact C-O 3.53Å; W75-S210 VanDerWaalsContact CA-O 3.25Å; W75-S210 WeakPolarHBondContact CA-O 3.38Å; I76-S210 PolarHBondContact N-O 3.01Å
211	I	91.2	Very high	88.5	Confident	86 Å²	86	56.3 Å²	56.3	44%	0.441	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.5	176.7	-60.1	169.8	0	0	0	108	I76 T215 L222 V225	I76-I211 HydrophobicContact CB-CG1 4.43Å; I76-I211 HydrophobicContact CD1-CG1 4.08Å; I211-T215 HydrophobicContact CG2-CG2 3.49Å; I211-T215 VanDerWaalsContact CG2-CG2 3.49Å; I211-L222 HydrophobicContact CD1-CD2 3.95Å; I211-V225 HydrophobicContact CD1-CG2 4.18Å
212	L	85.8	Confident	88.3	Confident	109 Å²	109	57.5 Å²	57.5	57%	0.571	33%	0.334	S	S	*	.			trans	-96.5	-29.4	-175	-65.3	-178.3	0	0	0	113.7	W75 I76	W75-L212 HydrophobicContact CB-CD1 3.55Å; W75-L212 HydrophobicContact CB-CG 3.96Å; W75-L212 HydrophobicContact CD2-CD1 4.07Å; W75-L212 HydrophobicContact CE3-CD1 3.84Å; W75-L212 HydrophobicContact CG-CD1 4Å; W75-L212 HydrophobicContact CG-CG 4.48Å; I76-L212 PolarHBondContact O-N 2.81Å
213	G	77	Confident	88	Confident	34 Å²	34	59.8 Å²	59.8	35%	0.351	35%	0.348	S	S	.	.	S	Bend	trans	-121.2	-169.7	-173.9	0	0	0	0	0	114.5	Q77	Q77-G213 WeakPolarHBondContact O-CA 3.49Å; Q77-G213 PolarHBondContact O-N 2.77Å
214	A	72.4	Confident	87.7	Confident	81 Å²	81	61.8 Å²	61.8	67%	0.669	36%	0.361	S	S	*	.			trans	-72	128.9	-179.8	0	0	0	0	0	110.7
215	T	77	Confident	87.7	Confident	38 Å²	38	62.4 Å²	62.4	23%	0.233	36%	0.364	C	S	.	.			trans	-106.7	17.4	176.4	53.5	0	0	0	0	111.9	I211 L217 L222	I211-T215 HydrophobicContact CG2-CG2 3.49Å; I211-T215 VanDerWaalsContact CG2-CG2 3.49Å; T215-L217 PolarHBondContact O-N 3.49Å; T215-L222 HydrophobicContact CG2-CD2 3.7Å
216	E	80.6	Confident	88	Confident	162 Å²	162	60 Å²	60	76%	0.757	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-78.7	103.8	180	-66.1	-164.2	175.4	0	0	110.4
217	L	87.5	Confident	88.4	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.047	35%	0.353	C	S	.	.			trans	-92.1	152.5	168.9	-67.4	161.1	0	0	0	109.7	I79 I82 T215 F220 F248 R251	I79-L217 HydrophobicContact CB-CD1 4.43Å; I79-L217 HydrophobicContact CG2-CD1 3.92Å; I79-L217 HydrophobicContact CG2-CD2 4.28Å; I79-L217 VanDerWaalsContact O-CD2 3.31Å; I79-L217 WeakPolarHBondContact O-CD2 3.38Å; I82-L217 HydrophobicContact CD1-CD1 3.54Å; I82-L217 HydrophobicContact CG1-CD1 4.03Å; T215-L217 PolarHBondContact O-N 3.49Å; L217-F220 HydrophobicContact CB-CB 4.2Å; L217-F220 WeakPolarHBondContact CB-O 3.33Å; L217-F220 HydrophobicContact CD1-CB 4.04Å; L217-F220 VanDerWaalsContact O-O 3.1Å; L217-F248 HydrophobicContact CD1-CD1 4.15Å; L217-F248 HydrophobicContact CD1-CE1 3.93Å; L217-R251 PolarHBondContact O-NH1 3.07Å
218	P	86.9	Confident	88.8	Confident	100 Å²	100	58.3 Å²	58.3	65%	0.649	35%	0.348	S	S	*	.	S	Bend	trans	-63.8	-48.5	178.5	22.7	-31.7	0	0	0	112.1	R251	P218-R251 VanDerWaalsContact O-CD 3.29Å; P218-R251 WeakPolarHBondContact O-CD 3.47Å
219	D	89.1	Confident	89	Confident	75 Å²	75	60.3 Å²	60.3	40%	0.401	36%	0.363	S	S	.	.	S	Bend	trans	-100	-13.3	-171.4	-60.1	-37.9	0	0	0	113.8	R251	D219-R251 WeakPolarHBondContact O-CB 3.41Å; D219-R251 PolarHBondContact O-N 3.23Å
220	F	92.5	Very high	89.1	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.9	-174.8	-66.6	-85.4	0	0	0	111.9	I82 Q183 L217 F248 K249 R250	I82-F220 HydrophobicContact CB-CD2 4.04Å; I82-F220 HydrophobicContact CB-CE2 4.04Å; I82-F220 HydrophobicContact CD1-CB 4.08Å; I82-F220 HydrophobicContact CD1-CD2 3.97Å; I82-F220 HydrophobicContact CD1-CG 3.96Å; I82-F220 HydrophobicContact CG2-CD2 4.32Å; I82-F220 HydrophobicContact CG2-CE2 3.94Å; I82-F220 HydrophobicContact CG2-CZ 4.26Å; Q183-F220 HydrophobicContact CG-CE1 4.14Å; L217-F220 HydrophobicContact CB-CB 4.2Å; L217-F220 WeakPolarHBondContact CB-O 3.33Å; L217-F220 HydrophobicContact CD1-CB 4.04Å; L217-F220 VanDerWaalsContact O-O 3.1Å; F220-F248 HydrophobicContact CB-CB 4.36Å; F220-F248 HydrophobicContact CD1-CB 4.02Å; F220-F248 HydrophobicContact CG-CB 4.46Å; F220-K249 CarbonylContact C-O 3.58Å; F220-K249 WeakPolarHBondContact CA-O 3.5Å; F220-R250 HydrophobicContact CD1-CB 4.17Å; F220-R250 HydrophobicContact CE1-CB 4Å; F220-R250 HydrophobicContact CE1-CG 4.29Å; F220-R250 VanDerWaalsContact CZ-NH1 3.35Å
221	T	91.6	Very high	89.2	Confident	59 Å²	59	68.6 Å²	68.6	36%	0.362	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.1	170.5	-52.5	0	0	0	0	107.6	V223 K249 R251	T221-V223 PolarHBondContact O-N 2.91Å; T221-K249 PolarHBondContact N-O 2.97Å; T221-K249 PolarHBondContact O-N 3.31Å; T221-R251 WeakPolarHBondContact OG1-CG 3.26Å; T221-R251 PolarHBondContact OG1-NE 2.92Å
222	L	92.3	Very high	89.4	Confident	25 Å²	25	66.1 Å²	66.1	13%	0.131	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.8	172.6	-176.5	68.7	0	0	0	108.8	I79 I211 T215 V225 F246 F248	I79-L222 HydrophobicContact CD1-CD1 4.09Å; I79-L222 HydrophobicContact CD1-CD2 3.95Å; I79-L222 HydrophobicContact CD1-CG 4.49Å; I211-L222 HydrophobicContact CD1-CD2 3.95Å; T215-L222 HydrophobicContact CG2-CD2 3.7Å; L222-V225 HydrophobicContact CD1-CG2 3.93Å; L222-V225 HydrophobicContact CD2-CG2 3.83Å; L222-V225 HydrophobicContact CG-CG2 4.22Å; L222-F246 HydrophobicContact CD1-CB 4.42Å; L222-F246 HydrophobicContact CD1-CD1 4.4Å; L222-F248 HydrophobicContact CB-CD1 4.44Å; L222-F248 HydrophobicContact CB-CE1 4.41Å; L222-F248 HydrophobicContact CD1-CD1 3.92Å; L222-F248 HydrophobicContact CD1-CE1 3.59Å; L222-F248 HydrophobicContact CD1-CZ 4.2Å
223	V	90.7	Very high	89.9	Confident	72 Å²	72	68.5 Å²	68.5	44%	0.436	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-48	-179.7	179.2	0	0	0	0	110.6	T221 I247 K249	T221-V223 PolarHBondContact O-N 2.91Å; V223-I247 HydrophobicContact CB-CG2 4.22Å; V223-I247 PolarHBondContact N-O 2.91Å; V223-K249 HydrophobicContact CG2-CB 3.39Å; V223-K249 HydrophobicContact CG2-CD 4.29Å
224	D	91.2	Very high	90.8	Very high	69 Å²	69	70.5 Å²	70.5	37%	0.369	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.6	-174.4	-150	-9.8	0	0	0	110.9	I247	D224-I247 HydrophobicContact CB-CB 4.43Å; D224-I247 HydrophobicContact CB-CD1 4.32Å; D224-I247 PolarHBondContact O-N 3.4Å
225	V	93.5	Very high	91.8	Very high	22 Å²	22	73.5 Å²	73.5	13%	0.133	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.1	171.5	-169	0	0	0	0	108.6	I76 I209 I211 L222 I244 T245 F246	I76-V225 HydrophobicContact CD1-CG1 4.07Å; I76-V225 HydrophobicContact CD1-CG2 4.15Å; I209-V225 HydrophobicContact CD1-CG1 3.79Å; I209-V225 HydrophobicContact CG2-CB 4.44Å; I209-V225 HydrophobicContact CG2-CG1 3.96Å; I211-V225 HydrophobicContact CD1-CG2 4.18Å; L222-V225 HydrophobicContact CD1-CG2 3.93Å; L222-V225 HydrophobicContact CD2-CG2 3.83Å; L222-V225 HydrophobicContact CG-CG2 4.22Å; V225-I244 HydrophobicContact CG1-CG2 3.59Å; V225-T245 WeakPolarHBondContact CA-O 3.44Å; V225-F246 HydrophobicContact CG1-CD1 4.12Å; V225-F246 HydrophobicContact CG1-CE1 4.21Å; V225-F246 HydrophobicContact CG2-CD1 4.06Å
226	L	94.6	Very high	92.6	Very high	75 Å²	75	75.4 Å²	75.4	39%	0.393	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.7	-176.8	-54	176.8	0	0	0	110	I244 T245 I247	L226-I244 CarbonylContact O-C 3.58Å; L226-I244 WeakPolarHBondContact O-CA 3.4Å; L226-T245 PolarHBondContact N-O 3.23Å; L226-T245 PolarHBondContact O-N 2.93Å; L226-I247 HydrophobicContact CD1-CD1 3.89Å; L226-I247 HydrophobicContact CG-CD1 4.34Å
227	A	95.8	Very high	93.2	Very high	38 Å²	38	68.9 Å²	68.9	31%	0.314	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.2	168.1	0	0	0	0	0	108.8	W203 P208 I209	W203-A227 HydrophobicContact CD2-CB 4.26Å; W203-A227 HydrophobicContact CG-CB 4.32Å; P208-A227 HydrophobicContact CG-CB 3.93Å; I209-A227 HydrophobicContact CD1-CB 3.53Å; I209-A227 HydrophobicContact CG1-CB 4.03Å
228	T	96.1	Very high	93.7	Very high	70 Å²	70	72.8 Å²	72.8	43%	0.429	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.8	174.4	57.5	0	0	0	0	109.8	W203 T243	W203-T228 PolarHBondContact NE1-O 3.26Å; T228-T243 PolarHBondContact N-O 3.2Å; T228-T243 PolarHBondContact O-N 3.42Å; T228-T243 PolarHBondContact OG1-O 2.91Å
229	S	96.1	Very high	94.2	Very high	71 Å²	71	69 Å²	69	50%	0.497	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.5	175.9	-169.5	0	0	0	0	107.6	E241 L242	S229-E241 WeakPolarHBondContact CA-O 3.03Å; S229-L242 WeakPolarHBondContact OG-CD2 3.37Å
230	E	95.8	Very high	94.6	Very high	133 Å²	133	65.9 Å²	65.9	62%	0.621	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.6	178.8	-173.9	168.5	-175	0	0	109.9	E241	E230-E241 PolarHBondContact N-O 3.41Å; E230-E241 PolarHBondContact O-N 2.91Å
231	E	96	Very high	94.8	Very high	109 Å²	109	66.8 Å²	66.8	51%	0.509	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.7	172.4	-173.5	-174.2	117.6	0	0	108.8	V196 F238 W239	V196-E231 HydrophobicContact CG2-CG 4.49Å; E231-F238 HydrophobicContact CG-CB 3.93Å; E231-F238 HydrophobicContact CG-CD1 4.04Å; E231-F238 HydrophobicContact CG-CG 4.38Å; E231-F238 WeakPolarHBondContact OE1-CD1 3.31Å; E231-F238 WeakPolarHBondContact OE1-CG 3.48Å; E231-W239 CarbonylContact C-O 3.45Å; E231-W239 WeakPolarHBondContact CA-O 3.13Å
232	T	95.2	Very high	95.1	Very high	33 Å²	33	64 Å²	64	20%	0.202	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137	-176.3	-63.3	0	0	0	0	110.9	Y234 F238 W239 E241	T232-Y234 HydrophobicContact CG2-CD2 4.39Å; T232-Y234 HydrophobicContact CG2-CE2 3.87Å; T232-F238 WeakPolarHBondContact O-CA 3.12Å; T232-W239 PolarHBondContact N-O 3.38Å; T232-W239 PolarHBondContact O-N 2.89Å; T232-E241 VanDerWaalsContact CB-CD 3.46Å; T232-E241 VanDerWaalsContact CB-OE1 3.31Å; T232-E241 WeakPolarHBondContact CB-OE1 3.11Å; T232-E241 WeakPolarHBondContact CG2-OE1 3.45Å; T232-E241 PolarHBondContact OG1-OE1 3.4Å; T232-E241 PolarHBondContact OG1-OE2 2.96Å
233	K	96.8	Very high	95.3	Very high	160 Å²	160	63.7 Å²	63.7	70%	0.696	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.6	179.6	-173.3	-178.9	179.3	179.4	0	111.4	F238	K233-F238 HydrophobicContact CB-CD1 3.91Å; K233-F238 HydrophobicContact CB-CE1 3.67Å; K233-F238 HydrophobicContact CB-CZ 4.4Å; K233-F238 HydrophobicContact CD-CE1 4.1Å; K233-F238 HydrophobicContact CD-CZ 4.04Å; K233-F238 HydrophobicContact CG-CD1 4.25Å; K233-F238 HydrophobicContact CG-CE1 3.85Å; K233-F238 HydrophobicContact CG-CZ 4.08Å
234	Y	94.6	Very high	95.6	Very high	75 Å²	75	60.3 Å²	60.3	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	164.9	169.3	-71.9	-84.4	0	0	0	111.3	E190 T232 A236 G237 W239 E241	E190-Y234 PolarHBondContact OE2-OH 3.07Å; T232-Y234 HydrophobicContact CG2-CD2 4.39Å; T232-Y234 HydrophobicContact CG2-CE2 3.87Å; Y234-A236 PolarHBondContact O-N 2.93Å; Y234-A236 VanDerWaalsContact O-N 3.11Å; Y234-G237 CarbonylContact C-O 3.54Å; Y234-G237 WeakPolarHBondContact CA-O 3.39Å; Y234-G237 PolarHBondContact N-O 3.22Å; Y234-G237 PolarHBondContact O-N 3.36Å; Y234-G237 VanDerWaalsContact O-N 3.13Å; Y234-W239 HydrophobicContact CD2-CB 3.89Å; Y234-W239 HydrophobicContact CD2-CD2 4Å; Y234-W239 AromaticContact CD2-CE3 3.77Å; Y234-W239 HydrophobicContact CD2-CE3 3.77Å; Y234-W239 HydrophobicContact CD2-CG 4.05Å; Y234-W239 HydrophobicContact CE2-CB 3.96Å; Y234-W239 HydrophobicContact CE2-CG 4.35Å; Y234-W239 HydrophobicContact CG-CE3 4.16Å; Y234-E241 PolarHBondContact OH-OE1 3.39Å
235	P	94.4	Very high	95.8	Very high	144 Å²	144	58.2 Å²	58.2	94%	0.935	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.1	175.4	-27.6	36.1	0	0	0	114.1
236	A	92.8	Very high	95.9	Very high	78 Å²	78	57.1 Å²	57.1	65%	0.645	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	0.5	-178.1	0	0	0	0	0	114.5	Y234 W239	Y234-A236 PolarHBondContact O-N 2.93Å; Y234-A236 VanDerWaalsContact O-N 3.11Å; A236-W239 HydrophobicContact CB-CH2 3.54Å; A236-W239 HydrophobicContact CB-CZ3 3.94Å
237	G	94.8	Very high	95.9	Very high	25 Å²	25	54.9 Å²	54.9	26%	0.258	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.1	-156.7	-171.4	0	0	0	0	0	114.1	Y234	Y234-G237 CarbonylContact C-O 3.54Å; Y234-G237 WeakPolarHBondContact CA-O 3.39Å; Y234-G237 PolarHBondContact N-O 3.22Å; Y234-G237 PolarHBondContact O-N 3.36Å; Y234-G237 VanDerWaalsContact O-N 3.13Å
238	F	97.1	Very high	95.8	Very high	92 Å²	92	53 Å²	53	40%	0.404	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.8	179.9	-67.3	-90.3	0	0	0	110.8	N195 V196 E231 T232 K233	N195-F238 CarbonylContact C-O 3.58Å; N195-F238 WeakPolarHBondContact CA-O 3.48Å; N195-F238 WeakPolarHBondContact CB-O 3.44Å; V196-F238 HydrophobicContact CB-CB 4.43Å; V196-F238 WeakPolarHBondContact CB-O 3.47Å; V196-F238 PolarHBondContact N-O 3.02Å; E231-F238 HydrophobicContact CG-CB 3.93Å; E231-F238 HydrophobicContact CG-CD1 4.04Å; E231-F238 HydrophobicContact CG-CG 4.38Å; E231-F238 WeakPolarHBondContact OE1-CD1 3.31Å; E231-F238 WeakPolarHBondContact OE1-CG 3.48Å; T232-F238 WeakPolarHBondContact O-CA 3.12Å; K233-F238 HydrophobicContact CB-CD1 3.91Å; K233-F238 HydrophobicContact CB-CE1 3.67Å; K233-F238 HydrophobicContact CB-CZ 4.4Å; K233-F238 HydrophobicContact CD-CE1 4.1Å; K233-F238 HydrophobicContact CD-CZ 4.04Å; K233-F238 HydrophobicContact CG-CD1 4.25Å; K233-F238 HydrophobicContact CG-CE1 3.85Å; K233-F238 HydrophobicContact CG-CZ 4.08Å
239	W	97	Very high	95.6	Very high	20 Å²	20	53.3 Å²	53.3	8%	0.076	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.6	179.1	-86.8	-110.1	0	0	0	110	E190 S191 Y194 N195 E231 T232 Y234 A236	E190-W239 HydrophobicContact CG-CB 4.43Å; E190-W239 HydrophobicContact CG-CG 4.39Å; S191-W239 PolarHBondContact O-NE1 2.84Å; Y194-W239 PolarHBondContact O-NE1 3.03Å; N195-W239 HydrophobicContact CB-CD2 4.22Å; N195-W239 HydrophobicContact CB-CE3 4.13Å; N195-W239 HydrophobicContact CB-CH2 3.64Å; N195-W239 HydrophobicContact CB-CZ2 3.79Å; N195-W239 HydrophobicContact CB-CZ3 3.86Å; E231-W239 CarbonylContact C-O 3.45Å; E231-W239 WeakPolarHBondContact CA-O 3.13Å; T232-W239 PolarHBondContact N-O 3.38Å; T232-W239 PolarHBondContact O-N 2.89Å; Y234-W239 HydrophobicContact CD2-CB 3.89Å; Y234-W239 HydrophobicContact CD2-CD2 4Å; Y234-W239 AromaticContact CD2-CE3 3.77Å; Y234-W239 HydrophobicContact CD2-CE3 3.77Å; Y234-W239 HydrophobicContact CD2-CG 4.05Å; Y234-W239 HydrophobicContact CE2-CB 3.96Å; Y234-W239 HydrophobicContact CE2-CG 4.35Å; Y234-W239 HydrophobicContact CG-CE3 4.16Å; A236-W239 HydrophobicContact CB-CH2 3.54Å; A236-W239 HydrophobicContact CB-CZ3 3.94Å
240	D	97.3	Very high	95.4	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.3	170	-67	-48.4	0	0	0	109.7	V196 H200 M201	V196-D240 HydrophobicContact CG2-CB 4.28Å; V196-D240 WeakPolarHBondContact CG2-OD1 3.41Å; V196-D240 WeakPolarHBondContact CG2-OD2 3.41Å; H200-D240 WeakPolarHBondContact CA-OD2 3.13Å; H200-D240 IonicContact CE1-OD1 3.54Å; H200-D240 IonicContact CE1-OD2 2.81Å; H200-D240 IonicContact CG-OD2 3.96Å; H200-D240 IonicContact ND1-OD1 3.77Å; H200-D240 IonicContact ND1-OD2 3.35Å; H200-D240 PolarHBondContact ND1-OD2 3.12Å; M201-D240 HydrophobicContact CB-CB 3.94Å; M201-D240 PolarHBondContact N-OD2 3.08Å
241	E	97.2	Very high	95.3	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	114.7	175.8	-75.6	-178.5	-177.2	0	0	110.3	T188 S229 E230 T232 Y234	T188-E241 HydrophobicContact CG2-CB 3.82Å; T188-E241 HydrophobicContact CG2-CG 3.88Å; S229-E241 WeakPolarHBondContact CA-O 3.03Å; E230-E241 PolarHBondContact N-O 3.41Å; E230-E241 PolarHBondContact O-N 2.91Å; T232-E241 VanDerWaalsContact CB-CD 3.46Å; T232-E241 VanDerWaalsContact CB-OE1 3.31Å; T232-E241 WeakPolarHBondContact CB-OE1 3.11Å; T232-E241 WeakPolarHBondContact CG2-OE1 3.45Å; T232-E241 PolarHBondContact OG1-OE1 3.4Å; T232-E241 PolarHBondContact OG1-OE2 2.96Å; Y234-E241 PolarHBondContact OH-OE1 3.39Å
242	L	97.8	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106	174.7	-62.8	-168	0	0	0	109.1	V72 F189 M201 W203 S229	V72-L242 HydrophobicContact CB-CD1 3.7Å; V72-L242 HydrophobicContact CG1-CD1 4.29Å; V72-L242 HydrophobicContact CG2-CD1 3.78Å; F189-L242 HydrophobicContact CB-CB 4.36Å; F189-L242 PolarHBondContact N-O 3.43Å; F189-L242 PolarHBondContact O-N 3.48Å; M201-L242 HydrophobicContact CB-CD1 4.02Å; M201-L242 HydrophobicContact CB-CG 4.13Å; M201-L242 HydrophobicContact CE-CB 4.21Å; M201-L242 HydrophobicContact CE-CD1 3.7Å; M201-L242 HydrophobicContact CE-CG 3.72Å; W203-L242 HydrophobicContact CD2-CB 4.33Å; W203-L242 HydrophobicContact CD2-CD1 4.15Å; W203-L242 HydrophobicContact CD2-CD2 4.42Å; W203-L242 HydrophobicContact CE3-CD1 4.33Å; W203-L242 HydrophobicContact CG-CD2 4.21Å; W203-L242 HydrophobicContact CH2-CB 4.08Å; W203-L242 HydrophobicContact CZ2-CB 3.52Å; S229-L242 WeakPolarHBondContact OG-CD2 3.37Å
243	T	97.3	Very high	94.8	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.117	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.7	-175.4	-63.3	0	0	0	0	112.3	L187 T188 T228	L187-T243 CarbonylContact O-C 3.59Å; L187-T243 WeakPolarHBondContact O-CA 3.45Å; T188-T243 WeakPolarHBondContact CG2-OG1 3.47Å; T188-T243 PolarHBondContact OG1-OG1 3.37Å; T228-T243 PolarHBondContact N-O 3.2Å; T228-T243 PolarHBondContact O-N 3.42Å; T228-T243 PolarHBondContact OG1-O 2.91Å
244	I	96.6	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121	169.6	-56.5	174.9	0	0	0	108.3	T74 S186 L187 W203 I209 V225 L226 F246	T74-I244 HydrophobicContact CG2-CD1 3.72Å; S186-I244 CarbonylContact C-O 3.58Å; S186-I244 VanDerWaalsContact CA-O 3.23Å; S186-I244 WeakPolarHBondContact CA-O 3.39Å; L187-I244 PolarHBondContact N-O 2.77Å; L187-I244 PolarHBondContact O-N 2.92Å; W203-I244 HydrophobicContact CH2-CD1 3.81Å; W203-I244 HydrophobicContact CH2-CG1 3.5Å; W203-I244 VanDerWaalsContact CH2-CG1 3.5Å; W203-I244 HydrophobicContact CZ2-CG1 3.72Å; I209-I244 HydrophobicContact CD1-CB 4.42Å; I209-I244 HydrophobicContact CD1-CG1 4.12Å; I209-I244 HydrophobicContact CD1-CG2 3.82Å; V225-I244 HydrophobicContact CG1-CG2 3.59Å; L226-I244 CarbonylContact O-C 3.58Å; L226-I244 WeakPolarHBondContact O-CA 3.4Å; I244-F246 HydrophobicContact CB-CE2 4.2Å; I244-F246 HydrophobicContact CG2-CD2 4.15Å; I244-F246 HydrophobicContact CG2-CE1 4.21Å; I244-F246 HydrophobicContact CG2-CE2 3.53Å; I244-F246 HydrophobicContact CG2-CZ 3.57Å
245	T	95.9	Very high	94.5	Very high	25 Å²	25	45.7 Å²	45.7	15%	0.153	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.4	177	-58.9	0	0	0	0	110.8	C185 V225 L226 I247	C185-T245 CarbonylContact O-C 3.56Å; C185-T245 WeakPolarHBondContact O-CA 3.09Å; V225-T245 WeakPolarHBondContact CA-O 3.44Å; L226-T245 PolarHBondContact N-O 3.23Å; L226-T245 PolarHBondContact O-N 2.93Å; T245-I247 HydrophobicContact CG2-CG1 4.47Å
246	F	95	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.8	174.7	-56.7	-94.1	0	0	0	110.1	I76 I79 F89 V91 K184 C185 L187 L222 V225 I244 F248	I76-F246 HydrophobicContact CD1-CD1 4.49Å; I76-F246 HydrophobicContact CD1-CE1 3.58Å; I76-F246 HydrophobicContact CD1-CZ 4.26Å; I76-F246 HydrophobicContact CG1-CE1 4.15Å; I79-F246 HydrophobicContact CD1-CD1 4.11Å; I79-F246 HydrophobicContact CD1-CE1 4.39Å; F89-F246 AromaticContact CE2-CD2 3.62Å; F89-F246 HydrophobicContact CE2-CD2 3.62Å; F89-F246 AromaticContact CE2-CE2 3.68Å; F89-F246 HydrophobicContact CE2-CE2 3.68Å; F89-F246 HydrophobicContact CE2-CG 4.25Å; F89-F246 HydrophobicContact CE2-CZ 4.33Å; F89-F246 AromaticContact CZ-CD2 3.63Å; F89-F246 HydrophobicContact CZ-CD2 3.63Å; F89-F246 AromaticContact CZ-CE2 3.77Å; F89-F246 HydrophobicContact CZ-CE2 3.77Å; V91-F246 HydrophobicContact CG2-CE1 4.5Å; V91-F246 HydrophobicContact CG2-CZ 4.33Å; K184-F246 WeakPolarHBondContact CA-O 3.34Å; C185-F246 PolarHBondContact N-O 3.39Å; C185-F246 PolarHBondContact O-N 3.15Å; L187-F246 HydrophobicContact CD1-CE2 4.05Å; L222-F246 HydrophobicContact CD1-CB 4.42Å; L222-F246 HydrophobicContact CD1-CD1 4.4Å; V225-F246 HydrophobicContact CG1-CD1 4.12Å; V225-F246 HydrophobicContact CG1-CE1 4.21Å; V225-F246 HydrophobicContact CG2-CD1 4.06Å; I244-F246 HydrophobicContact CB-CE2 4.2Å; I244-F246 HydrophobicContact CG2-CD2 4.15Å; I244-F246 HydrophobicContact CG2-CE1 4.21Å; I244-F246 HydrophobicContact CG2-CE2 3.53Å; I244-F246 HydrophobicContact CG2-CZ 3.57Å; F246-F248 HydrophobicContact CB-CD2 4.16Å; F246-F248 HydrophobicContact CB-CE1 4.47Å; F246-F248 HydrophobicContact CB-CE2 3.36Å; F246-F248 HydrophobicContact CB-CZ 3.56Å; F246-F248 HydrophobicContact CD1-CZ 4.34Å; F246-F248 HydrophobicContact CG-CE2 4.29Å; F246-F248 HydrophobicContact CG-CZ 4.16Å
247	I	94.1	Very high	94.4	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.138	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.9	177.4	-55.1	-175.8	0	0	0	109.1	V182 K184 V223 D224 L226 T245	V182-I247 HydrophobicContact CG1-CG2 3.6Å; K184-I247 HydrophobicContact CG-CG1 4.46Å; V223-I247 HydrophobicContact CB-CG2 4.22Å; V223-I247 PolarHBondContact N-O 2.91Å; D224-I247 HydrophobicContact CB-CB 4.43Å; D224-I247 HydrophobicContact CB-CD1 4.32Å; D224-I247 PolarHBondContact O-N 3.4Å; L226-I247 HydrophobicContact CD1-CD1 3.89Å; L226-I247 HydrophobicContact CG-CD1 4.34Å; T245-I247 HydrophobicContact CG2-CG1 4.47Å
248	F	93.4	Very high	94.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.9	-179.1	-59.9	-73.8	0	0	0	111.3	I79 I82 V182 Q183 C185 L217 F220 L222 F246	I79-F248 HydrophobicContact CD1-CE1 3.72Å; I79-F248 HydrophobicContact CD1-CZ 3.89Å; I79-F248 HydrophobicContact CG2-CE1 4.18Å; I79-F248 HydrophobicContact CG2-CZ 4.05Å; I82-F248 HydrophobicContact CD1-CB 4.15Å; I82-F248 HydrophobicContact CD1-CD1 3.49Å; I82-F248 VanDerWaalsContact CD1-CD1 3.49Å; I82-F248 HydrophobicContact CD1-CD2 3.6Å; I82-F248 HydrophobicContact CD1-CE1 3.62Å; I82-F248 HydrophobicContact CD1-CE2 3.71Å; I82-F248 HydrophobicContact CD1-CG 3.46Å; I82-F248 VanDerWaalsContact CD1-CG 3.46Å; I82-F248 HydrophobicContact CD1-CZ 3.72Å; I82-F248 HydrophobicContact CG1-CZ 4.49Å; V182-F248 CarbonylContact C-O 3.6Å; V182-F248 WeakPolarHBondContact CA-O 3.21Å; V182-F248 WeakPolarHBondContact CG1-O 3.31Å; Q183-F248 HydrophobicContact CB-CB 4.45Å; Q183-F248 PolarHBondContact N-O 2.82Å; Q183-F248 PolarHBondContact O-N 2.86Å; C185-F248 HydrophobicContact CB-CE2 4.23Å; L217-F248 HydrophobicContact CD1-CD1 4.15Å; L217-F248 HydrophobicContact CD1-CE1 3.93Å; F220-F248 HydrophobicContact CB-CB 4.36Å; F220-F248 HydrophobicContact CD1-CB 4.02Å; F220-F248 HydrophobicContact CG-CB 4.46Å; L222-F248 HydrophobicContact CB-CD1 4.44Å; L222-F248 HydrophobicContact CB-CE1 4.41Å; L222-F248 HydrophobicContact CD1-CD1 3.92Å; L222-F248 HydrophobicContact CD1-CE1 3.59Å; L222-F248 HydrophobicContact CD1-CZ 4.2Å; F246-F248 HydrophobicContact CB-CD2 4.16Å; F246-F248 HydrophobicContact CB-CE1 4.47Å; F246-F248 HydrophobicContact CB-CE2 3.36Å; F246-F248 HydrophobicContact CB-CZ 3.56Å; F246-F248 HydrophobicContact CD1-CZ 4.34Å; F246-F248 HydrophobicContact CG-CE2 4.29Å; F246-F248 HydrophobicContact CG-CZ 4.16Å
249	K	92.5	Very high	94	Very high	76 Å²	76	42.4 Å²	42.4	33%	0.33	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.4	171.7	-178.2	170.5	-170.4	159.6	0	109.9	F220 T221 V223 D463	F220-K249 CarbonylContact C-O 3.58Å; F220-K249 WeakPolarHBondContact CA-O 3.5Å; T221-K249 PolarHBondContact N-O 2.97Å; T221-K249 PolarHBondContact O-N 3.31Å; V223-K249 HydrophobicContact CG2-CB 3.39Å; V223-K249 HydrophobicContact CG2-CD 4.29Å; K249-D463 IonicContact NZ-OD2 2.7Å; K249-D463 PolarHBondContact NZ-OD2 3.35Å
250	R	92.6	Very high	93.8	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140	-180	-172.1	179.8	-58.1	-87.6	5.2	112.1	E84 P179 D181 F220 Y252 Y255	E84-R250 VanDerWaalsContact CD-NH1 3.31Å; E84-R250 IonicContact OE1-CZ 2.83Å; E84-R250 IonicContact OE1-NH1 3.45Å; E84-R250 PolarHBondContact OE1-NH1 3.08Å; E84-R250 IonicContact OE1-NH2 3.49Å; E84-R250 PolarHBondContact OE1-NH2 2.87Å; E84-R250 IonicContact OE2-CZ 3.35Å; E84-R250 IonicContact OE2-NH1 3.79Å; E84-R250 PolarHBondContact OE2-NH1 3.48Å; E84-R250 IonicContact OE2-NH2 2.75Å; E84-R250 PolarHBondContact OE2-NH2 3.04Å; P179-R250 WeakPolarHBondContact O-CD 3.45Å; D181-R250 VanDerWaalsContact CG-NE 3.33Å; D181-R250 PolarHBondContact O-N 3.42Å; D181-R250 VanDerWaalsContact OD1-CD 3.28Å; D181-R250 WeakPolarHBondContact OD1-CD 3.33Å; D181-R250 IonicContact OD1-CZ 3.39Å; D181-R250 IonicContact OD1-NE 3.5Å; D181-R250 PolarHBondContact OD1-NE 3.2Å; D181-R250 IonicContact OD1-NH2 2.98Å; D181-R250 IonicContact OD2-CZ 3Å; D181-R250 IonicContact OD2-NE 2.62Å; D181-R250 PolarHBondContact OD2-NE 3.12Å; D181-R250 VanDerWaalsContact OD2-NE 3.11Å; D181-R250 IonicContact OD2-NH2 2.71Å; D181-R250 PolarHBondContact OD2-NH2 3.41Å; F220-R250 HydrophobicContact CD1-CB 4.17Å; F220-R250 HydrophobicContact CE1-CB 4Å; F220-R250 HydrophobicContact CE1-CG 4.29Å; F220-R250 VanDerWaalsContact CZ-NH1 3.35Å; R250-Y252 PolarHBondContact O-N 3.07Å; R250-Y255 HydrophobicContact CG-CE2 4.15Å; R250-Y255 PolarHBondContact NH1-OH 3Å
251	R	92.4	Very high	93.7	Very high	107 Å²	107	44.5 Å²	44.5	40%	0.404	21%	0.205	S	C	.	.			trans	-82.1	86.6	169.1	-68.5	178.2	170	-176.4	1.2	109.5	L217 P218 D219 T221 G253	L217-R251 PolarHBondContact O-NH1 3.07Å; P218-R251 VanDerWaalsContact O-CD 3.29Å; P218-R251 WeakPolarHBondContact O-CD 3.47Å; D219-R251 WeakPolarHBondContact O-CB 3.41Å; D219-R251 PolarHBondContact O-N 3.23Å; T221-R251 WeakPolarHBondContact OG1-CG 3.26Å; T221-R251 PolarHBondContact OG1-NE 2.92Å; R251-G253 PolarHBondContact O-N 3.46Å
252	Y	91.3	Very high	93.6	Very high	102 Å²	102	45.4 Å²	45.4	40%	0.4	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.2	-172.8	57.4	-99.9	0	0	0	115.6	P179 M180 R250 W254 Y255 I256	P179-Y252 WeakPolarHBondContact O-CB 3.41Å; M180-Y252 HydrophobicContact CG-CD1 4.37Å; M180-Y252 HydrophobicContact CG-CG 4.41Å; R250-Y252 PolarHBondContact O-N 3.07Å; Y252-W254 PolarHBondContact O-N 3.38Å; Y252-Y255 PolarHBondContact O-N 2.92Å; Y252-I256 HydrophobicContact CD2-CD1 3.41Å; Y252-I256 VanDerWaalsContact CD2-CD1 3.41Å; Y252-I256 HydrophobicContact CD2-CG1 4.07Å; Y252-I256 HydrophobicContact CE2-CD1 3.7Å; Y252-I256 PolarHBondContact O-N 3.39Å; Y252-I256 VanDerWaalsContact O-N 3.08Å
253	G	91.1	Very high	93.5	Very high	32 Å²	32	45.4 Å²	45.4	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-55.7	-48.5	-173	0	0	0	0	0	112.9	R251 Y255 I256 F257	R251-G253 PolarHBondContact O-N 3.46Å; G253-Y255 PolarHBondContact O-N 2.91Å; G253-I256 PolarHBondContact O-N 3.43Å; G253-F257 WeakPolarHBondContact O-CD2 3.4Å; G253-F257 PolarHBondContact O-N 3.26Å; G253-F257 VanDerWaalsContact O-N 3.07Å
254	W	92.1	Very high	93.3	Very high	145 Å²	145	47.5 Å²	47.5	55%	0.549	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-43.1	178.8	-179.8	87.1	0	0	0	112.8	Y252 I256 F257 Q258	Y252-W254 PolarHBondContact O-N 3.38Å; W254-I256 VanDerWaalsContact C-N 3.32Å; W254-I256 PolarHBondContact O-N 3.4Å; W254-F257 PolarHBondContact O-N 2.83Å; W254-F257 VanDerWaalsContact O-N 3.15Å; W254-Q258 VanDerWaalsContact CH2-OE1 3.3Å; W254-Q258 PolarHBondContact O-N 3.49Å
255	Y	92.2	Very high	93.3	Very high	31 Å²	31	52.2 Å²	52.2	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-33.4	177.6	-57.8	-84.1	0	0	0	112.8	F178 P179 R250 Y252 G253 G259 Y260	F178-Y255 HydrophobicContact CE1-CD1 4.1Å; F178-Y255 HydrophobicContact CE1-CE1 4.39Å; F178-Y255 HydrophobicContact CE2-CD1 4.33Å; F178-Y255 AromaticContact CE2-CE1 3.91Å; F178-Y255 HydrophobicContact CE2-CE1 3.91Å; F178-Y255 AromaticContact CZ-CD1 3.45Å; F178-Y255 HydrophobicContact CZ-CD1 3.45Å; F178-Y255 VanDerWaalsContact CZ-CD1 3.45Å; F178-Y255 AromaticContact CZ-CE1 3.34Å; F178-Y255 HydrophobicContact CZ-CE1 3.34Å; F178-Y255 HydrophobicContact CZ-CG 4.14Å; F178-Y255 AromaticContact CZ-CZ 3.93Å; P179-Y255 HydrophobicContact CB-CD2 3.87Å; P179-Y255 HydrophobicContact CB-CG 3.85Å; P179-Y255 HydrophobicContact CG-CG 4.41Å; R250-Y255 HydrophobicContact CG-CE2 4.15Å; R250-Y255 PolarHBondContact NH1-OH 3Å; Y252-Y255 PolarHBondContact O-N 2.92Å; G253-Y255 PolarHBondContact O-N 2.91Å; Y255-G259 VanDerWaalsContact O-CA 3.29Å; Y255-G259 WeakPolarHBondContact O-CA 3.3Å; Y255-G259 PolarHBondContact O-N 2.95Å; Y255-Y260 PolarHBondContact O-N 2.71Å
256	I	92.7	Very high	93.2	Very high	40 Å²	40	52.2 Å²	52.2	21%	0.205	24%	0.243	C	C	.	.	I	π-helix	trans	-64.6	-47.5	171.6	-66.9	-176.2	0	0	0	110.4	Y252 G253 W254 Y260 I261 W452	Y252-I256 HydrophobicContact CD2-CD1 3.41Å; Y252-I256 VanDerWaalsContact CD2-CD1 3.41Å; Y252-I256 HydrophobicContact CD2-CG1 4.07Å; Y252-I256 HydrophobicContact CE2-CD1 3.7Å; Y252-I256 PolarHBondContact O-N 3.39Å; Y252-I256 VanDerWaalsContact O-N 3.08Å; G253-I256 PolarHBondContact O-N 3.43Å; W254-I256 VanDerWaalsContact C-N 3.32Å; W254-I256 PolarHBondContact O-N 3.4Å; I256-Y260 HydrophobicContact CG1-CD2 4.27Å; I256-Y260 WeakPolarHBondContact O-CB 3.4Å; I256-Y260 PolarHBondContact O-N 2.81Å; I256-Y260 VanDerWaalsContact O-N 3.12Å; I256-I261 PolarHBondContact O-N 3.42Å; I256-W452 HydrophobicContact CD1-CH2 4.21Å; I256-W452 HydrophobicContact CD1-CZ3 4.36Å; I256-W452 HydrophobicContact CG1-CH2 4.44Å
257	F	92.9	Very high	93.2	Very high	148 Å²	148	52.2 Å²	52.2	65%	0.649	24%	0.243	S	C	*	.	I	π-helix	trans	-65.7	-41.2	-178.2	-80	-69.9	0	0	0	113.5	G253 W254 I261 P262	G253-F257 WeakPolarHBondContact O-CD2 3.4Å; G253-F257 PolarHBondContact O-N 3.26Å; G253-F257 VanDerWaalsContact O-N 3.07Å; W254-F257 PolarHBondContact O-N 2.83Å; W254-F257 VanDerWaalsContact O-N 3.15Å; F257-I261 HydrophobicContact CD1-CD1 3.53Å; F257-I261 HydrophobicContact CE1-CD1 3.87Å; F257-I261 HydrophobicContact CG-CD1 4.36Å; F257-P262 VanDerWaalsContact O-CD 3.26Å; F257-P262 WeakPolarHBondContact O-CD 3.44Å
258	Q	90.7	Very high	93.2	Very high	77 Å²	77	54.8 Å²	54.8	36%	0.36	26%	0.256	S	S	.	.	I	π-helix	trans	-91.1	-32.7	-177	-173	173.8	-15.5	0	0	113.3	W254 P262 Q298	W254-Q258 VanDerWaalsContact CH2-OE1 3.3Å; W254-Q258 PolarHBondContact O-N 3.49Å; Q258-P262 WeakPolarHBondContact O-CD 3.22Å; Q258-P262 WeakPolarHBondContact O-CG 3.28Å; Q258-Q298 PolarHBondContact O-NE2 3.31Å
259	G	91.6	Very high	93.1	Very high	5 Å²	5	58.3 Å²	58.3	5%	0.052	27%	0.274	C	S	.	.	I	π-helix	trans	-93.3	-57.9	-176.3	0	0	0	0	0	113	Y255 A263	Y255-G259 VanDerWaalsContact O-CA 3.29Å; Y255-G259 WeakPolarHBondContact O-CA 3.3Å; Y255-G259 PolarHBondContact O-N 2.95Å; G259-A263 WeakPolarHBondContact O-CB 3.13Å
260	Y	94.2	Very high	93.1	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	26%	0.258	C	S	.	.	I	π-helix	trans	-76.8	-49.8	-170.6	-72.6	-96.9	0	0	0	112.5	P179 Y255 I256 A263 Y264 I315 W318 Y451 W452	P179-Y260 HydrophobicContact CG-CE2 4.3Å; Y255-Y260 PolarHBondContact O-N 2.71Å; I256-Y260 HydrophobicContact CG1-CD2 4.27Å; I256-Y260 WeakPolarHBondContact O-CB 3.4Å; I256-Y260 PolarHBondContact O-N 2.81Å; I256-Y260 VanDerWaalsContact O-N 3.12Å; Y260-A263 WeakPolarHBondContact O-CB 3.34Å; Y260-A263 PolarHBondContact O-N 3.15Å; Y260-Y264 WeakPolarHBondContact O-CD2 3.33Å; Y260-Y264 PolarHBondContact O-N 3.24Å; Y260-I315 HydrophobicContact CE2-CD1 4.21Å; Y260-I315 HydrophobicContact CE2-CG1 4.48Å; Y260-W318 AromaticContact CD1-CD1 3.79Å; Y260-W318 AromaticContact CD1-CD2 3.75Å; Y260-W318 HydrophobicContact CD1-CD2 3.75Å; Y260-W318 AromaticContact CD1-CE2 3.64Å; Y260-W318 HydrophobicContact CD1-CE3 4.41Å; Y260-W318 AromaticContact CD1-CG 3.88Å; Y260-W318 HydrophobicContact CD1-CG 3.88Å; Y260-W318 HydrophobicContact CD1-CZ2 4.24Å; Y260-W318 AromaticContact CD1-NE1 3.62Å; Y260-W318 HydrophobicContact CE1-CB 4Å; Y260-W318 AromaticContact CE1-CD1 3.78Å; Y260-W318 AromaticContact CE1-CD2 3.71Å; Y260-W318 HydrophobicContact CE1-CD2 3.71Å; Y260-W318 HydrophobicContact CE1-CE3 4.26Å; Y260-W318 AromaticContact CE1-CG 3.54Å; Y260-W318 HydrophobicContact CE1-CG 3.54Å; Y260-Y451 AromaticContact CE1-CE1 3.8Å; Y260-Y451 HydrophobicContact CE1-CE1 3.8Å; Y260-Y451 AromaticContact CE1-CZ 3.99Å; Y260-Y451 PolarHBondContact OH-OH 2.8Å; Y260-W452 AromaticContact CD1-CH2 3.89Å; Y260-W452 HydrophobicContact CD1-CH2 3.89Å; Y260-W452 AromaticContact CD1-CZ2 3.55Å; Y260-W452 HydrophobicContact CD1-CZ2 3.55Å; Y260-W452 AromaticContact CE1-CH2 3.99Å; Y260-W452 HydrophobicContact CE1-CH2 3.99Å; Y260-W452 AromaticContact CE1-CZ2 3.84Å; Y260-W452 HydrophobicContact CE1-CZ2 3.84Å; Y260-W452 HydrophobicContact CG-CH2 4.24Å; Y260-W452 HydrophobicContact CG-CZ2 4.2Å
261	I	94.4	Very high	93.1	Very high	71 Å²	71	56 Å²	56	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-48.8	-175.4	-66.1	178.7	0	0	0	112.2	I256 F257 A263 Y264 L265	I256-I261 PolarHBondContact O-N 3.42Å; F257-I261 HydrophobicContact CD1-CD1 3.53Å; F257-I261 HydrophobicContact CE1-CD1 3.87Å; F257-I261 HydrophobicContact CG-CD1 4.36Å; I261-A263 VanDerWaalsContact C-N 3.32Å; I261-A263 PolarHBondContact O-N 3.38Å; I261-Y264 WeakPolarHBondContact O-CB 3.1Å; I261-Y264 PolarHBondContact O-N 2.88Å; I261-L265 HydrophobicContact CG2-CD1 4.39Å; I261-L265 WeakPolarHBondContact O-CG 3.25Å; I261-L265 PolarHBondContact O-N 2.95Å; I261-L265 VanDerWaalsContact O-N 3.09Å
262	P	95	Very high	93	Very high	43 Å²	43	54.9 Å²	54.9	28%	0.279	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-37.3	177.5	-26.1	38.6	0	0	0	112.6	F257 Q258 Y264 L265 I266	F257-P262 VanDerWaalsContact O-CD 3.26Å; F257-P262 WeakPolarHBondContact O-CD 3.44Å; Q258-P262 WeakPolarHBondContact O-CD 3.22Å; Q258-P262 WeakPolarHBondContact O-CG 3.28Å; P262-Y264 PolarHBondContact O-N 3.11Å; P262-L265 PolarHBondContact O-N 3.06Å; P262-I266 VanDerWaalsContact O-CG1 3.28Å; P262-I266 WeakPolarHBondContact O-CG1 3.17Å; P262-I266 PolarHBondContact O-N 2.95Å
263	A	94.8	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-42.2	174.9	0	0	0	0	0	112	G259 Y260 I261 L265 I266 I267 M295	G259-A263 WeakPolarHBondContact O-CB 3.13Å; Y260-A263 WeakPolarHBondContact O-CB 3.34Å; Y260-A263 PolarHBondContact O-N 3.15Å; I261-A263 VanDerWaalsContact C-N 3.32Å; I261-A263 PolarHBondContact O-N 3.38Å; A263-L265 PolarHBondContact O-N 3.29Å; A263-I266 PolarHBondContact O-N 3.19Å; A263-I267 VanDerWaalsContact O-CG1 3.29Å; A263-I267 WeakPolarHBondContact O-CG1 3.36Å; A263-I267 PolarHBondContact O-N 3.2Å; A263-M295 HydrophobicContact CB-CE 4.1Å; A263-M295 HydrophobicContact CB-SD 4.03Å
264	Y	94.8	Very high	92.8	Very high	63 Å²	63	49 Å²	49	25%	0.247	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-46.4	172.5	-85.9	-73.5	0	0	0	112.3	Y260 I261 P262 I266 I267 I268 W318 F444 N448 W452	Y260-Y264 WeakPolarHBondContact O-CD2 3.33Å; Y260-Y264 PolarHBondContact O-N 3.24Å; I261-Y264 WeakPolarHBondContact O-CB 3.1Å; I261-Y264 PolarHBondContact O-N 2.88Å; P262-Y264 PolarHBondContact O-N 3.11Å; Y264-I266 VanDerWaalsContact C-N 3.33Å; Y264-I266 PolarHBondContact O-N 3.04Å; Y264-I267 PolarHBondContact O-N 3.19Å; Y264-I268 VanDerWaalsContact O-CG1 3.3Å; Y264-I268 WeakPolarHBondContact O-CG1 3.2Å; Y264-I268 PolarHBondContact O-N 2.93Å; Y264-W318 HydrophobicContact CD1-CH2 4.05Å; Y264-W318 HydrophobicContact CD1-CZ2 4.09Å; Y264-W318 HydrophobicContact CD2-CH2 4.26Å; Y264-W318 AromaticContact CD2-CZ2 3.79Å; Y264-W318 HydrophobicContact CD2-CZ2 3.79Å; Y264-W318 AromaticContact CE1-CH2 3.46Å; Y264-W318 HydrophobicContact CE1-CH2 3.46Å; Y264-W318 VanDerWaalsContact CE1-CH2 3.46Å; Y264-W318 AromaticContact CE1-CZ2 3.92Å; Y264-W318 HydrophobicContact CE1-CZ2 3.92Å; Y264-W318 AromaticContact CE2-CH2 3.68Å; Y264-W318 HydrophobicContact CE2-CH2 3.68Å; Y264-W318 AromaticContact CE2-CZ2 3.58Å; Y264-W318 HydrophobicContact CE2-CZ2 3.58Å; Y264-W318 HydrophobicContact CG-CH2 4.43Å; Y264-W318 HydrophobicContact CG-CZ2 4.05Å; Y264-W318 AromaticContact CZ-CH2 3.28Å; Y264-W318 AromaticContact CZ-CZ2 3.68Å; Y264-F444 AromaticContact CD1-CE1 3.6Å; Y264-F444 HydrophobicContact CD1-CE1 3.6Å; Y264-F444 AromaticContact CD1-CZ 3.85Å; Y264-F444 HydrophobicContact CD1-CZ 3.85Å; Y264-F444 AromaticContact CE1-CE1 3.53Å; Y264-F444 HydrophobicContact CE1-CE1 3.53Å; Y264-F444 AromaticContact CE1-CZ 3.83Å; Y264-F444 HydrophobicContact CE1-CZ 3.83Å; Y264-N448 PolarHBondContact OH-OD1 3.09Å; Y264-W452 PolarHBondContact OH-NE1 3.35Å; Y264-W452 VanDerWaalsContact OH-NE1 3.16Å
265	L	94.8	Very high	92.6	Very high	99 Å²	99	50.3 Å²	50.3	52%	0.518	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-41.9	179.9	-66	175.6	0	0	0	111.4	I261 P262 A263 I267 I268 I269	I261-L265 HydrophobicContact CG2-CD1 4.39Å; I261-L265 WeakPolarHBondContact O-CG 3.25Å; I261-L265 PolarHBondContact O-N 2.95Å; I261-L265 VanDerWaalsContact O-N 3.09Å; P262-L265 PolarHBondContact O-N 3.06Å; A263-L265 PolarHBondContact O-N 3.29Å; L265-I267 PolarHBondContact O-N 3.01Å; L265-I268 PolarHBondContact O-N 3.01Å; L265-I269 WeakPolarHBondContact O-CB 3.49Å; L265-I269 WeakPolarHBondContact O-CD1 3.47Å; L265-I269 WeakPolarHBondContact O-CG1 3.23Å; L265-I269 PolarHBondContact O-N 2.85Å
266	I	95.5	Very high	92.3	Very high	26 Å²	26	51.5 Å²	51.5	13%	0.133	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-44.8	176.3	-68	165.1	0	0	0	111.1	P262 A263 Y264 I269 S270 A291 A294 M295 I326	P262-I266 VanDerWaalsContact O-CG1 3.28Å; P262-I266 WeakPolarHBondContact O-CG1 3.17Å; P262-I266 PolarHBondContact O-N 2.95Å; A263-I266 PolarHBondContact O-N 3.19Å; Y264-I266 VanDerWaalsContact C-N 3.33Å; Y264-I266 PolarHBondContact O-N 3.04Å; I266-I269 PolarHBondContact O-N 3.28Å; I266-S270 PolarHBondContact O-N 3.2Å; I266-A291 HydrophobicContact CG2-CB 3.85Å; I266-A291 WeakPolarHBondContact CG2-O 3.46Å; I266-A294 HydrophobicContact CD1-CB 3.94Å; I266-A294 HydrophobicContact CG1-CB 4.39Å; I266-M295 HydrophobicContact CG2-CB 4.35Å; I266-I326 HydrophobicContact CG2-CD1 3.86Å
267	I	94.5	Very high	91.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-41.4	178.3	-66.5	166.3	0	0	0	110.9	A263 Y264 L265 I269 S270 W271 I326 F444	A263-I267 VanDerWaalsContact O-CG1 3.29Å; A263-I267 WeakPolarHBondContact O-CG1 3.36Å; A263-I267 PolarHBondContact O-N 3.2Å; Y264-I267 PolarHBondContact O-N 3.19Å; L265-I267 PolarHBondContact O-N 3.01Å; I267-I269 PolarHBondContact O-N 3.46Å; I267-S270 PolarHBondContact O-N 3.2Å; I267-S270 PolarHBondContact O-OG 3.25Å; I267-W271 HydrophobicContact CG2-CH2 4.35Å; I267-W271 HydrophobicContact CG2-CZ2 3.58Å; I267-W271 PolarHBondContact O-N 3.38Å; I267-I326 HydrophobicContact CG1-CD1 4.23Å; I267-I326 HydrophobicContact CG1-CG1 4.37Å; I267-F444 HydrophobicContact CD1-CE2 3.68Å; I267-F444 HydrophobicContact CD1-CZ 3.65Å; I267-F444 HydrophobicContact CG2-CD2 4.45Å; I267-F444 HydrophobicContact CG2-CE1 4.38Å; I267-F444 HydrophobicContact CG2-CE2 4.23Å; I267-F444 HydrophobicContact CG2-CZ 4.17Å
268	I	93	Very high	91.3	Very high	80 Å²	80	45.8 Å²	45.8	41%	0.41	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-40.1	177	-67.7	165.5	0	0	0	110.9	Y264 L265 S270 W271 I272	Y264-I268 VanDerWaalsContact O-CG1 3.3Å; Y264-I268 WeakPolarHBondContact O-CG1 3.2Å; Y264-I268 PolarHBondContact O-N 2.93Å; L265-I268 PolarHBondContact O-N 3.01Å; I268-S270 VanDerWaalsContact C-N 3.27Å; I268-S270 PolarHBondContact O-N 2.67Å; I268-W271 HydrophobicContact CG1-CE3 4.27Å; I268-W271 HydrophobicContact CG1-CZ3 4.13Å; I268-W271 WeakPolarHBondContact O-CB 3.38Å; I268-W271 PolarHBondContact O-N 3.46Å; I268-W271 VanDerWaalsContact O-N 3.11Å; I268-I272 PolarHBondContact O-N 3.09Å
269	I	92.8	Very high	90.7	Very high	75 Å²	75	48.4 Å²	48.4	39%	0.385	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-38.7	175.5	-71.3	164.1	0	0	0	110.8	L265 I266 I267 W271 I272 L287	L265-I269 WeakPolarHBondContact O-CB 3.49Å; L265-I269 WeakPolarHBondContact O-CD1 3.47Å; L265-I269 WeakPolarHBondContact O-CG1 3.23Å; L265-I269 PolarHBondContact O-N 2.85Å; I266-I269 PolarHBondContact O-N 3.28Å; I267-I269 PolarHBondContact O-N 3.46Å; I269-W271 PolarHBondContact O-N 2.74Å; I269-I272 WeakPolarHBondContact O-CB 3.23Å; I269-I272 PolarHBondContact O-N 3.24Å; I269-I272 VanDerWaalsContact O-N 3.16Å; I269-L287 HydrophobicContact CG2-CD2 4.28Å
270	S	92.3	Very high	90.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-28.8	177.8	85.4	0	0	0	0	112.2	I266 I267 I268 S273	I266-S270 PolarHBondContact O-N 3.2Å; I267-S270 PolarHBondContact O-N 3.2Å; I267-S270 PolarHBondContact O-OG 3.25Å; I268-S270 VanDerWaalsContact C-N 3.27Å; I268-S270 PolarHBondContact O-N 2.67Å; S270-S273 WeakPolarHBondContact O-CB 3.38Å; S270-S273 PolarHBondContact O-N 2.97Å; S270-S273 PolarHBondContact O-OG 2.89Å
271	W	91.1	Very high	90.2	Very high	30 Å²	30	52.7 Å²	52.7	11%	0.114	28%	0.277	C	S	.	.	H	α-helix	trans	-75.6	-21.6	175.7	-57.5	-17.3	0	0	0	114.4	I267 I268 I269 S273 F274 P441 F444	I267-W271 HydrophobicContact CG2-CH2 4.35Å; I267-W271 HydrophobicContact CG2-CZ2 3.58Å; I267-W271 PolarHBondContact O-N 3.38Å; I268-W271 HydrophobicContact CG1-CE3 4.27Å; I268-W271 HydrophobicContact CG1-CZ3 4.13Å; I268-W271 WeakPolarHBondContact O-CB 3.38Å; I268-W271 PolarHBondContact O-N 3.46Å; I268-W271 VanDerWaalsContact O-N 3.11Å; I269-W271 PolarHBondContact O-N 2.74Å; W271-S273 PolarHBondContact O-N 3.25Å; W271-S273 VanDerWaalsContact O-N 3.14Å; W271-F274 HydrophobicContact CB-CD2 3.97Å; W271-F274 HydrophobicContact CB-CE2 4.06Å; W271-F274 AromaticContact CD1-CE2 3.64Å; W271-F274 HydrophobicContact CG-CD2 4.43Å; W271-F274 HydrophobicContact CG-CE2 4.05Å; W271-F274 WeakPolarHBondContact O-CB 3.31Å; W271-F274 WeakPolarHBondContact O-CD2 3.35Å; W271-F274 PolarHBondContact O-N 2.8Å; W271-P441 HydrophobicContact CD2-CG 4.04Å; W271-P441 HydrophobicContact CE3-CB 4.15Å; W271-P441 HydrophobicContact CE3-CG 3.75Å; W271-P441 HydrophobicContact CH2-CB 3.96Å; W271-P441 HydrophobicContact CH2-CG 4.3Å; W271-P441 HydrophobicContact CZ3-CB 3.74Å; W271-P441 HydrophobicContact CZ3-CG 3.89Å; W271-F444 HydrophobicContact CH2-CB 3.84Å; W271-F444 AromaticContact CH2-CD1 3.51Å; W271-F444 HydrophobicContact CH2-CD1 3.51Å; W271-F444 HydrophobicContact CH2-CE1 4.29Å; W271-F444 AromaticContact CH2-CG 3.89Å; W271-F444 HydrophobicContact CH2-CG 3.89Å; W271-F444 HydrophobicContact CZ2-CB 3.63Å; W271-F444 AromaticContact CZ2-CD1 3.81Å; W271-F444 HydrophobicContact CZ2-CD1 3.81Å; W271-F444 AromaticContact CZ2-CG 3.74Å; W271-F444 HydrophobicContact CZ2-CG 3.74Å
272	I	90.3	Very high	90	Very high	85 Å²	85	54.3 Å²	54.3	44%	0.436	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-28.6	173.6	-61.3	175.3	0	0	0	110.1	I268 I269 F274 Y275 L276 L287	I268-I272 PolarHBondContact O-N 3.09Å; I269-I272 WeakPolarHBondContact O-CB 3.23Å; I269-I272 PolarHBondContact O-N 3.24Å; I269-I272 VanDerWaalsContact O-N 3.16Å; I272-F274 PolarHBondContact O-N 2.92Å; I272-Y275 PolarHBondContact O-N 3.3Å; I272-L276 PolarHBondContact O-N 3.46Å; I272-L287 HydrophobicContact CG2-CD1 4.48Å
273	S	88.6	Confident	89.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-27.1	175.9	74.9	0	0	0	0	114	S270 W271 Y275 L276 R284	S270-S273 WeakPolarHBondContact O-CB 3.38Å; S270-S273 PolarHBondContact O-N 2.97Å; S270-S273 PolarHBondContact O-OG 2.89Å; W271-S273 PolarHBondContact O-N 3.25Å; W271-S273 VanDerWaalsContact O-N 3.14Å; S273-Y275 VanDerWaalsContact C-N 3.34Å; S273-L276 PolarHBondContact O-N 3.31Å; S273-R284 WeakPolarHBondContact O-CD 3.48Å; S273-R284 WeakPolarHBondContact O-CG 3.33Å; S273-R284 PolarHBondContact O-NE 3.39Å; S273-R284 VanDerWaalsContact O-NE 3.11Å
274	F	90	Very high	89.8	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-73.9	-25.5	177.6	-54	-42.8	0	0	0	113	W271 I272 E332 A437 F440	W271-F274 HydrophobicContact CB-CD2 3.97Å; W271-F274 HydrophobicContact CB-CE2 4.06Å; W271-F274 AromaticContact CD1-CE2 3.64Å; W271-F274 HydrophobicContact CG-CD2 4.43Å; W271-F274 HydrophobicContact CG-CE2 4.05Å; W271-F274 WeakPolarHBondContact O-CB 3.31Å; W271-F274 WeakPolarHBondContact O-CD2 3.35Å; W271-F274 PolarHBondContact O-N 2.8Å; I272-F274 PolarHBondContact O-N 2.92Å; F274-E332 HydrophobicContact CE1-CG 4.46Å; F274-A437 HydrophobicContact CB-CB 4.04Å; F274-F440 HydrophobicContact CE2-CB 3.91Å; F274-F440 HydrophobicContact CE2-CD1 4.34Å; F274-F440 HydrophobicContact CE2-CD2 4.25Å; F274-F440 AromaticContact CE2-CG 3.94Å; F274-F440 HydrophobicContact CE2-CG 3.94Å; F274-F440 HydrophobicContact CZ-CB 4.38Å; F274-F440 HydrophobicContact CZ-CD1 4.02Å; F274-F440 HydrophobicContact CZ-CD2 4.02Å; F274-F440 HydrophobicContact CZ-CE1 4.24Å; F274-F440 HydrophobicContact CZ-CE2 4.24Å; F274-F440 AromaticContact CZ-CG 3.9Å; F274-F440 HydrophobicContact CZ-CG 3.9Å; F274-F440 HydrophobicContact CZ-CZ 4.34Å
275	Y	88.1	Confident	89.7	Confident	172 Å²	172	54.4 Å²	54.4	68%	0.675	30%	0.303	S	S	*	.	H	α-helix	trans	-87.6	-13.4	178.4	-66.5	-83.6	0	0	0	112.6	I272 S273 A437	I272-Y275 PolarHBondContact O-N 3.3Å; S273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-A437 HydrophobicContact CE1-CB 4.39Å; Y275-A437 HydrophobicContact CE2-CB 4.32Å
276	L	87	Confident	89.6	Confident	56 Å²	56	55.2 Å²	55.2	29%	0.293	31%	0.306	S	S	.	.	S	Bend	trans	-74.4	130.4	172.6	-68.6	176.4	0	0	0	109.8	I272 S273 A283 R284 L287	I272-L276 PolarHBondContact O-N 3.46Å; S273-L276 PolarHBondContact O-N 3.31Å; L276-A283 HydrophobicContact CD1-CB 4.17Å; L276-R284 HydrophobicContact CB-CG 3.89Å; L276-R284 HydrophobicContact CD1-CG 4.12Å; L276-L287 HydrophobicContact CD1-CD1 3.61Å
277	G	82	Confident	89.6	Confident	53 Å²	53	56.5 Å²	56.5	55%	0.546	31%	0.312	S	S	.	.			trans	-52.3	144.1	-179.5	0	0	0	0	0	112.8	M279 A280	G277-M279 PolarHBondContact O-N 2.91Å; G277-A280 PolarHBondContact O-N 3.45Å
278	T	80.7	Confident	89.5	Confident	14 Å²	14	56.6 Å²	56.6	9%	0.086	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.3	-175.5	49.6	0	0	0	0	114.7	V336 P429 E430 D433	T278-V336 HydrophobicContact CG2-CG1 4.04Å; T278-P429 HydrophobicContact CG2-CB 4.11Å; T278-E430 HydrophobicContact CG2-CG 4.04Å; T278-D433 WeakPolarHBondContact CG2-OD2 3.4Å
279	M	79.7	Confident	89.7	Confident	132 Å²	132	55.4 Å²	55.4	65%	0.65	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.6	179.3	-57.2	-61.5	-76.8	0	0	113.2	G277 L281 M344	G277-M279 PolarHBondContact O-N 2.91Å; M279-L281 VanDerWaalsContact C-N 3.28Å; M279-L281 PolarHBondContact O-N 3.39Å; M279-M344 HydrophobicContact CE-CE 3.79Å; M279-M344 HydrophobicContact CE-SD 3.86Å; M279-M344 HydrophobicContact SD-SD 4.32Å
280	A	86.5	Confident	89.8	Confident	38 Å²	38	55.4 Å²	55.4	31%	0.314	31%	0.31	S	S	.	.			trans	-90.1	48.2	-177.5	0	0	0	0	0	112.7	G277 P282 A283 R284	G277-A280 PolarHBondContact O-N 3.45Å; A280-P282 VanDerWaalsContact C-CD 3.45Å; A280-A283 HydrophobicContact CB-CB 4.41Å; A280-A283 PolarHBondContact O-N 3.27Å; A280-R284 PolarHBondContact O-N 2.77Å
281	L	87.5	Confident	90	Very high	59 Å²	59	55.8 Å²	55.8	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-52.2	-43.8	-178.4	-65.8	169.1	0	0	0	113.8	M279 A283 R284 T285 L333	M279-L281 VanDerWaalsContact C-N 3.28Å; M279-L281 PolarHBondContact O-N 3.39Å; L281-A283 VanDerWaalsContact C-N 3.34Å; L281-A283 PolarHBondContact O-N 3.41Å; L281-R284 PolarHBondContact O-N 3.35Å; L281-T285 PolarHBondContact O-N 3.37Å; L281-T285 PolarHBondContact O-OG1 3.45Å; L281-T285 VanDerWaalsContact O-OG1 3.07Å; L281-L333 HydrophobicContact CD2-CD1 4.02Å
282	P	91.4	Very high	90.2	Very high	104 Å²	104	56.4 Å²	56.4	68%	0.675	32%	0.318	S	S	*	.	H	α-helix	trans	-61.4	-39.8	-179.8	-23.7	34.9	0	0	0	113.4	A280 T285 M286	A280-P282 VanDerWaalsContact C-CD 3.45Å; P282-T285 PolarHBondContact O-N 3.09Å; P282-M286 WeakPolarHBondContact O-CB 3.38Å; P282-M286 PolarHBondContact O-N 3.29Å
283	A	92.1	Very high	90.5	Very high	45 Å²	45	56.1 Å²	56.1	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-68	-40.5	179.8	0	0	0	0	0	111.5	L276 A280 L281 M286 L287	L276-A283 HydrophobicContact CD1-CB 4.17Å; A280-A283 HydrophobicContact CB-CB 4.41Å; A280-A283 PolarHBondContact O-N 3.27Å; L281-A283 VanDerWaalsContact C-N 3.34Å; L281-A283 PolarHBondContact O-N 3.41Å; A283-M286 PolarHBondContact O-N 2.92Å; A283-L287 WeakPolarHBondContact O-CG 3.37Å; A283-L287 PolarHBondContact O-N 3.49Å; A283-L287 VanDerWaalsContact O-N 3.1Å
284	R	92.2	Very high	90.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-45.3	176.2	-67.9	179	64.5	165.8	-5.2	111.7	S273 L276 A280 L281 M286 L287 G288 E332 L333 D433	S273-R284 WeakPolarHBondContact O-CD 3.48Å; S273-R284 WeakPolarHBondContact O-CG 3.33Å; S273-R284 PolarHBondContact O-NE 3.39Å; S273-R284 VanDerWaalsContact O-NE 3.11Å; L276-R284 HydrophobicContact CB-CG 3.89Å; L276-R284 HydrophobicContact CD1-CG 4.12Å; A280-R284 PolarHBondContact O-N 2.77Å; L281-R284 PolarHBondContact O-N 3.35Å; R284-M286 VanDerWaalsContact C-N 3.35Å; R284-M286 PolarHBondContact O-N 3.36Å; R284-L287 PolarHBondContact O-N 3Å; R284-G288 PolarHBondContact O-N 3.2Å; R284-G288 VanDerWaalsContact O-N 3.07Å; R284-E332 IonicContact NH2-OE1 3.83Å; R284-E332 IonicContact NH2-OE2 3.26Å; R284-E332 PolarHBondContact NH2-OE2 2.93Å; R284-L333 HydrophobicContact CB-CD1 3.57Å; R284-L333 HydrophobicContact CB-CD2 4.04Å; R284-L333 HydrophobicContact CB-CG 4.45Å; R284-L333 HydrophobicContact CG-CD1 4.38Å; R284-D433 IonicContact CZ-OD1 2.93Å; R284-D433 VanDerWaalsContact CZ-OD1 3.28Å; R284-D433 IonicContact CZ-OD2 2.77Å; R284-D433 VanDerWaalsContact NH1-CG 3.28Å; R284-D433 IonicContact NH1-OD1 3.98Å; R284-D433 PolarHBondContact NH1-OD1 3.45Å; R284-D433 IonicContact NH1-OD2 3.96Å; R284-D433 PolarHBondContact NH1-OD2 3.42Å; R284-D433 IonicContact NH2-OD1 2.96Å; R284-D433 PolarHBondContact NH2-OD1 3.21Å; R284-D433 IonicContact NH2-OD2 3.28Å
285	T	92.9	Very high	91.1	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.7	-54.4	0	0	0	0	111.3	L281 P282 L287 G288 V289	L281-T285 PolarHBondContact O-N 3.37Å; L281-T285 PolarHBondContact O-OG1 3.45Å; L281-T285 VanDerWaalsContact O-OG1 3.07Å; P282-T285 PolarHBondContact O-N 3.09Å; T285-L287 PolarHBondContact O-N 3.34Å; T285-G288 PolarHBondContact O-N 2.79Å; T285-V289 HydrophobicContact CG2-CG2 3.94Å; T285-V289 WeakPolarHBondContact O-CB 3.43Å; T285-V289 VanDerWaalsContact O-CG2 3.3Å; T285-V289 WeakPolarHBondContact O-CG2 3.29Å; T285-V289 PolarHBondContact O-N 2.62Å
286	M	94.2	Very high	91.5	Very high	116 Å²	116	52.6 Å²	52.6	57%	0.571	32%	0.318	S	S	*	.	H	α-helix	trans	-59.1	-46.8	178.9	-176	65.1	161.9	0	0	111.9	P282 A283 R284 N290	P282-M286 WeakPolarHBondContact O-CB 3.38Å; P282-M286 PolarHBondContact O-N 3.29Å; A283-M286 PolarHBondContact O-N 2.92Å; R284-M286 VanDerWaalsContact C-N 3.35Å; R284-M286 PolarHBondContact O-N 3.36Å; M286-N290 VanDerWaalsContact CE-ND2 3.32Å; M286-N290 WeakPolarHBondContact CE-ND2 3.41Å; M286-N290 WeakPolarHBondContact O-CB 3.35Å; M286-N290 PolarHBondContact O-N 3.49Å; M286-N290 PolarHBondContact O-ND2 2.98Å; M286-N290 PolarHBondContact SD-ND2 3.49Å
287	L	93.7	Very high	91.9	Very high	53 Å²	53	57.3 Å²	57.3	28%	0.277	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-47	178.5	-71.2	175.7	0	0	0	112.2	I269 I272 L276 A283 R284 T285 A291	I269-L287 HydrophobicContact CG2-CD2 4.28Å; I272-L287 HydrophobicContact CG2-CD1 4.48Å; L276-L287 HydrophobicContact CD1-CD1 3.61Å; A283-L287 WeakPolarHBondContact O-CG 3.37Å; A283-L287 PolarHBondContact O-N 3.49Å; A283-L287 VanDerWaalsContact O-N 3.1Å; R284-L287 PolarHBondContact O-N 3Å; T285-L287 PolarHBondContact O-N 3.34Å; L287-A291 WeakPolarHBondContact O-CB 3.26Å; L287-A291 PolarHBondContact O-N 3.29Å
288	G	93.8	Very high	92.4	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-44.4	-178	0	0	0	0	0	113.3	R284 T285 A291 L292	R284-G288 PolarHBondContact O-N 3.2Å; R284-G288 VanDerWaalsContact O-N 3.07Å; T285-G288 PolarHBondContact O-N 2.79Å; G288-A291 PolarHBondContact O-N 2.86Å; G288-L292 PolarHBondContact O-N 3.23Å
289	V	95.9	Very high	93.1	Very high	56 Å²	56	57.9 Å²	57.9	34%	0.339	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-43.5	179.3	173.4	0	0	0	0	110.8	T285 A291 L292 I293 L330	T285-V289 HydrophobicContact CG2-CG2 3.94Å; T285-V289 WeakPolarHBondContact O-CB 3.43Å; T285-V289 VanDerWaalsContact O-CG2 3.3Å; T285-V289 WeakPolarHBondContact O-CG2 3.29Å; T285-V289 PolarHBondContact O-N 2.62Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 2.78Å; V289-L292 PolarHBondContact O-N 3.41Å; V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.4Å; V289-I293 WeakPolarHBondContact O-CG1 3.23Å; V289-I293 PolarHBondContact O-N 3.31Å; V289-L330 HydrophobicContact CG2-CD2 4.25Å
290	N	96	Very high	93.7	Very high	75 Å²	75	53.5 Å²	53.5	40%	0.401	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-39.1	176.8	-71.3	-11.6	0	0	0	112	M286 L292 I293 A294	M286-N290 VanDerWaalsContact CE-ND2 3.32Å; M286-N290 WeakPolarHBondContact CE-ND2 3.41Å; M286-N290 WeakPolarHBondContact O-CB 3.35Å; M286-N290 PolarHBondContact O-N 3.49Å; M286-N290 PolarHBondContact O-ND2 2.98Å; M286-N290 PolarHBondContact SD-ND2 3.49Å; N290-L292 VanDerWaalsContact C-N 3.34Å; N290-I293 PolarHBondContact O-N 2.9Å; N290-A294 VanDerWaalsContact O-CB 3.27Å; N290-A294 WeakPolarHBondContact O-CB 3.3Å; N290-A294 PolarHBondContact O-N 2.71Å
291	A	96	Very high	94	Very high	7 Å²	7	54.6 Å²	54.6	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-42.1	174.4	0	0	0	0	0	111.6	I266 L287 G288 V289 A294 M295 I326	I266-A291 HydrophobicContact CG2-CB 3.85Å; I266-A291 WeakPolarHBondContact CG2-O 3.46Å; L287-A291 WeakPolarHBondContact O-CB 3.26Å; L287-A291 PolarHBondContact O-N 3.29Å; G288-A291 PolarHBondContact O-N 2.86Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 2.78Å; A291-A294 PolarHBondContact O-N 2.97Å; A291-M295 WeakPolarHBondContact O-CB 3.2Å; A291-M295 PolarHBondContact O-N 2.95Å; A291-I326 HydrophobicContact CB-CD1 4.41Å; A291-I326 HydrophobicContact CB-CG2 4.17Å
292	L	96.1	Very high	94.2	Very high	43 Å²	43	52.7 Å²	52.7	23%	0.225	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-43.6	178.1	-175	62.1	0	0	0	111.9	G288 V289 N290 M295 T296 I326 L330	G288-L292 PolarHBondContact O-N 3.23Å; V289-L292 PolarHBondContact O-N 3.41Å; N290-L292 VanDerWaalsContact C-N 3.34Å; L292-M295 PolarHBondContact O-N 2.77Å; L292-T296 WeakPolarHBondContact O-CB 2.97Å; L292-T296 PolarHBondContact O-N 2.75Å; L292-T296 PolarHBondContact O-OG1 3.11Å; L292-I326 HydrophobicContact CB-CG2 3.82Å; L292-I326 HydrophobicContact CD1-CB 4.46Å; L292-I326 HydrophobicContact CD1-CG2 4.23Å; L292-L330 HydrophobicContact CB-CD1 4.45Å; L292-L330 HydrophobicContact CD2-CD1 3.9Å
293	I	96.5	Very high	94.1	Very high	79 Å²	79	50.8 Å²	50.8	41%	0.405	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-47.9	175.9	-71.2	172.3	0	0	0	110.1	V289 N290 M295 T296 F297	V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.4Å; V289-I293 WeakPolarHBondContact O-CG1 3.23Å; V289-I293 PolarHBondContact O-N 3.31Å; N290-I293 PolarHBondContact O-N 2.9Å; I293-M295 VanDerWaalsContact C-N 3.34Å; I293-M295 PolarHBondContact O-N 3.47Å; I293-T296 PolarHBondContact O-N 2.8Å; I293-F297 HydrophobicContact CG2-CD2 3.5Å; I293-F297 HydrophobicContact CG2-CE2 3.19Å; I293-F297 HydrophobicContact CG2-CZ 4.24Å; I293-F297 VanDerWaalsContact O-CD2 3.22Å; I293-F297 WeakPolarHBondContact O-CD2 2.83Å; I293-F297 PolarHBondContact O-N 3.49Å
294	A	96.2	Very high	94	Very high	39 Å²	39	52.7 Å²	52.7	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-42.8	177.9	0	0	0	0	0	112.1	I266 N290 A291 F297 Q298	I266-A294 HydrophobicContact CD1-CB 3.94Å; I266-A294 HydrophobicContact CG1-CB 4.39Å; N290-A294 VanDerWaalsContact O-CB 3.27Å; N290-A294 WeakPolarHBondContact O-CB 3.3Å; N290-A294 PolarHBondContact O-N 2.71Å; A291-A294 PolarHBondContact O-N 2.97Å; A294-F297 PolarHBondContact O-N 3.28Å; A294-Q298 WeakPolarHBondContact O-CB 3.47Å; A294-Q298 PolarHBondContact O-N 2.93Å
295	M	95.6	Very high	93.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-40.3	176.7	-168.5	63.9	-172.9	0	0	111.9	A263 I266 A291 L292 I293 Q298 F299 M319 M323 I326	A263-M295 HydrophobicContact CB-CE 4.1Å; A263-M295 HydrophobicContact CB-SD 4.03Å; I266-M295 HydrophobicContact CG2-CB 4.35Å; A291-M295 WeakPolarHBondContact O-CB 3.2Å; A291-M295 PolarHBondContact O-N 2.95Å; L292-M295 PolarHBondContact O-N 2.77Å; I293-M295 VanDerWaalsContact C-N 3.34Å; I293-M295 PolarHBondContact O-N 3.47Å; M295-Q298 PolarHBondContact O-N 3.21Å; M295-F299 PolarHBondContact O-N 3.26Å; M295-M319 VanDerWaalsContact CE-CA 3.46Å; M295-M319 HydrophobicContact CE-CB 3.87Å; M295-M319 HydrophobicContact CE-CE 3.99Å; M295-M319 HydrophobicContact CE-CG 4.03Å; M295-M319 WeakPolarHBondContact CE-O 3.46Å; M295-M323 HydrophobicContact CB-CG 4.23Å; M295-M323 HydrophobicContact CG-CE 4.19Å; M295-M323 HydrophobicContact CG-CG 3.48Å; M295-M323 VanDerWaalsContact CG-CG 3.48Å; M295-M323 WeakPolarHBondContact O-CE 2.92Å; M295-I326 HydrophobicContact CB-CD1 3.86Å; M295-I326 HydrophobicContact CG-CD1 4.1Å
296	T	94.8	Very high	93.6	Very high	71 Å²	71	55.4 Å²	55.4	44%	0.436	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-43.8	176.7	-55.5	0	0	0	0	111.6	L292 I293 F299 G300	L292-T296 WeakPolarHBondContact O-CB 2.97Å; L292-T296 PolarHBondContact O-N 2.75Å; L292-T296 PolarHBondContact O-OG1 3.11Å; I293-T296 PolarHBondContact O-N 2.8Å; T296-F299 WeakPolarHBondContact O-CB 3.18Å; T296-F299 PolarHBondContact O-N 3.21Å; T296-G300 PolarHBondContact O-N 3.03Å
297	F	95.3	Very high	93.3	Very high	154 Å²	154	51.3 Å²	51.3	68%	0.675	29%	0.291	S	S	*	.	H	α-helix	trans	-63.1	-43	174.7	-77.7	-54.5	0	0	0	112.3	I293 A294 F299 G300 N301	I293-F297 HydrophobicContact CG2-CD2 3.5Å; I293-F297 HydrophobicContact CG2-CE2 3.19Å; I293-F297 HydrophobicContact CG2-CZ 4.24Å; I293-F297 VanDerWaalsContact O-CD2 3.22Å; I293-F297 WeakPolarHBondContact O-CD2 2.83Å; I293-F297 PolarHBondContact O-N 3.49Å; A294-F297 PolarHBondContact O-N 3.28Å; F297-F299 VanDerWaalsContact C-N 3.25Å; F297-F299 PolarHBondContact O-N 2.88Å; F297-G300 PolarHBondContact O-N 3.44Å; F297-N301 PolarHBondContact O-N 3.3Å
298	Q	94.4	Very high	93.1	Very high	34 Å²	34	60.5 Å²	60.5	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-39.4	177	-170.5	67.2	2.4	0	0	111.4	Q258 A294 M295 N301 I302 M319	Q258-Q298 PolarHBondContact O-NE2 3.31Å; A294-Q298 WeakPolarHBondContact O-CB 3.47Å; A294-Q298 PolarHBondContact O-N 2.93Å; M295-Q298 PolarHBondContact O-N 3.21Å; Q298-N301 PolarHBondContact O-N 2.71Å; Q298-I302 HydrophobicContact CG-CD1 4.12Å; Q298-I302 WeakPolarHBondContact O-CG1 3.39Å; Q298-I302 PolarHBondContact O-N 3.37Å; Q298-M319 VanDerWaalsContact C-CE 3.49Å; Q298-M319 HydrophobicContact CB-CE 3.99Å; Q298-M319 HydrophobicContact CG-CE 3.82Å
299	F	94	Very high	92.9	Very high	46 Å²	46	62.2 Å²	62.2	20%	0.202	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-44.7	177.6	-177.1	-116.6	0	0	0	111.9	M295 T296 F297 N301 I302 I303 M319 L320 M323	M295-F299 PolarHBondContact O-N 3.26Å; T296-F299 WeakPolarHBondContact O-CB 3.18Å; T296-F299 PolarHBondContact O-N 3.21Å; F297-F299 VanDerWaalsContact C-N 3.25Å; F297-F299 PolarHBondContact O-N 2.88Å; F299-N301 VanDerWaalsContact C-N 3.33Å; F299-N301 PolarHBondContact O-N 2.89Å; F299-I302 PolarHBondContact O-N 3.12Å; F299-I303 HydrophobicContact CD1-CD1 3.76Å; F299-I303 HydrophobicContact CD2-CD1 3.92Å; F299-I303 HydrophobicContact CD2-CG1 4.48Å; F299-I303 HydrophobicContact CE1-CD1 3.35Å; F299-I303 HydrophobicContact CE2-CD1 3.55Å; F299-I303 HydrophobicContact CE2-CG1 4.32Å; F299-I303 HydrophobicContact CG-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 3.26Å; F299-I303 HydrophobicContact CZ-CG1 4.45Å; F299-I303 WeakPolarHBondContact O-CB 3.42Å; F299-I303 WeakPolarHBondContact O-CG1 3.41Å; F299-I303 PolarHBondContact O-N 2.84Å; F299-M319 HydrophobicContact CB-CE 3.6Å; F299-M319 HydrophobicContact CB-SD 4.22Å; F299-M319 HydrophobicContact CD2-CB 3.52Å; F299-M319 HydrophobicContact CD2-CE 4.12Å; F299-M319 HydrophobicContact CD2-CG 4.17Å; F299-M319 HydrophobicContact CD2-SD 3.65Å; F299-M319 HydrophobicContact CE2-CB 4.03Å; F299-M319 HydrophobicContact CG-CB 4.46Å; F299-M319 HydrophobicContact CG-CE 4.38Å; F299-M319 HydrophobicContact CG-SD 4.42Å; F299-L320 HydrophobicContact CE2-CG 4.47Å; F299-L320 HydrophobicContact CZ-CD2 4.12Å; F299-L320 HydrophobicContact CZ-CG 4.38Å; F299-M323 HydrophobicContact CB-CE 3.19Å; F299-M323 HydrophobicContact CD1-CE 3.83Å; F299-M323 HydrophobicContact CD2-CE 4.21Å; F299-M323 HydrophobicContact CG-CE 3.51Å
300	G	93.3	Very high	92.7	Very high	40 Å²	40	65.7 Å²	65.7	41%	0.412	36%	0.358	S	S	.	.	H	α-helix	trans	-56.7	-46.7	173.1	0	0	0	0	0	112.2	T296 F297 I302 I303 S304	T296-G300 PolarHBondContact O-N 3.03Å; F297-G300 PolarHBondContact O-N 3.44Å; G300-I302 PolarHBondContact O-N 2.89Å; G300-I303 PolarHBondContact O-N 2.87Å; G300-S304 WeakPolarHBondContact O-CB 3.28Å; G300-S304 PolarHBondContact O-N 3.09Å; G300-S304 PolarHBondContact O-OG 2.81Å
301	N	91.9	Very high	92.5	Very high	60 Å²	60	65.4 Å²	65.4	32%	0.321	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-40.7	179.7	-176.8	39.9	0	0	0	112.7	F297 Q298 F299 S304 N305	F297-N301 PolarHBondContact O-N 3.3Å; Q298-N301 PolarHBondContact O-N 2.71Å; F299-N301 VanDerWaalsContact C-N 3.33Å; F299-N301 PolarHBondContact O-N 2.89Å; N301-S304 WeakPolarHBondContact CA-OG 3.35Å; N301-S304 PolarHBondContact O-OG 2.83Å; N301-N305 PolarHBondContact O-N 2.9Å; N301-N305 PolarHBondContact O-ND2 3.14Å; N301-N305 PolarHBondContact OD1-ND2 2.97Å; N301-N305 VanDerWaalsContact OD1-ND2 3.15Å
302	I	90.9	Very high	92.3	Very high	19 Å²	19	70.5 Å²	70.5	10%	0.097	38%	0.377	C	S	.	.	H	α-helix	trans	-68.4	-42.1	178.2	-74.1	165.4	0	0	0	110.8	Q298 F299 G300 S304 N305 L306 I315 M319	Q298-I302 HydrophobicContact CG-CD1 4.12Å; Q298-I302 WeakPolarHBondContact O-CG1 3.39Å; Q298-I302 PolarHBondContact O-N 3.37Å; F299-I302 PolarHBondContact O-N 3.12Å; G300-I302 PolarHBondContact O-N 2.89Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-S304 PolarHBondContact O-N 2.94Å; I302-N305 PolarHBondContact O-N 2.74Å; I302-L306 HydrophobicContact CG2-CD1 4.19Å; I302-I315 HydrophobicContact CD1-CD1 4.1Å; I302-I315 HydrophobicContact CG2-CD1 3.71Å; I302-I315 HydrophobicContact CG2-CG1 4.2Å; I302-I315 HydrophobicContact CG2-CG2 4.35Å; I302-M319 HydrophobicContact CB-SD 4.12Å; I302-M319 HydrophobicContact CD1-CE 3.74Å; I302-M319 HydrophobicContact CD1-SD 3.39Å; I302-M319 WeakPolarHBondContact CD1-SD 3.35Å; I302-M319 HydrophobicContact CG1-SD 4.32Å; I302-M319 HydrophobicContact CG2-SD 4.26Å
303	I	89.5	Confident	92.2	Very high	65 Å²	65	69 Å²	69	33%	0.333	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-36.1	178.2	-71.9	174.2	0	0	0	111.7	F299 G300 N305 L306	F299-I303 HydrophobicContact CD1-CD1 3.76Å; F299-I303 HydrophobicContact CD2-CD1 3.92Å; F299-I303 HydrophobicContact CD2-CG1 4.48Å; F299-I303 HydrophobicContact CE1-CD1 3.35Å; F299-I303 HydrophobicContact CE2-CD1 3.55Å; F299-I303 HydrophobicContact CE2-CG1 4.32Å; F299-I303 HydrophobicContact CG-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 3.26Å; F299-I303 HydrophobicContact CZ-CG1 4.45Å; F299-I303 WeakPolarHBondContact O-CB 3.42Å; F299-I303 WeakPolarHBondContact O-CG1 3.41Å; F299-I303 PolarHBondContact O-N 2.84Å; G300-I303 PolarHBondContact O-N 2.87Å; I303-N305 VanDerWaalsContact C-N 3.31Å; I303-N305 PolarHBondContact O-N 3.01Å; I303-L306 PolarHBondContact O-N 3.28Å
304	S	90.3	Very high	92	Very high	84 Å²	84	65.3 Å²	65.3	59%	0.587	35%	0.35	S	S	*	.	H	α-helix	trans	-70.4	-26.8	-179.7	59	0	0	0	0	113.7	G300 N301 I302 L306	G300-S304 WeakPolarHBondContact O-CB 3.28Å; G300-S304 PolarHBondContact O-N 3.09Å; G300-S304 PolarHBondContact O-OG 2.81Å; N301-S304 WeakPolarHBondContact CA-OG 3.35Å; N301-S304 PolarHBondContact O-OG 2.83Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-S304 PolarHBondContact O-N 2.94Å; S304-L306 VanDerWaalsContact C-N 3.33Å
305	N	88.5	Confident	91.9	Very high	105 Å²	105	63.6 Å²	63.6	56%	0.561	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.9	178.6	-71.7	-51.9	0	0	0	113.2	N301 I302 I303	N301-N305 PolarHBondContact O-N 2.9Å; N301-N305 PolarHBondContact O-ND2 3.14Å; N301-N305 PolarHBondContact OD1-ND2 2.97Å; N301-N305 VanDerWaalsContact OD1-ND2 3.15Å; I302-N305 PolarHBondContact O-N 2.74Å; I303-N305 VanDerWaalsContact C-N 3.31Å; I303-N305 PolarHBondContact O-N 3.01Å
306	L	87.8	Confident	91.8	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.089	34%	0.34	C	S	.	.	S	Bend	trans	-111.3	149.7	179.6	-64.2	171.5	0	0	0	110.4	F178 I302 I303 S304 K313	F178-L306 HydrophobicContact CD1-CD1 3.9Å; F178-L306 HydrophobicContact CD2-CD2 4.25Å; F178-L306 HydrophobicContact CE1-CD1 3.51Å; F178-L306 HydrophobicContact CE1-CD2 4.13Å; F178-L306 HydrophobicContact CE1-CG 4.41Å; F178-L306 HydrophobicContact CE2-CD1 4.33Å; F178-L306 HydrophobicContact CE2-CD2 3.5Å; F178-L306 HydrophobicContact CG-CD1 4.47Å; F178-L306 HydrophobicContact CZ-CD1 3.72Å; F178-L306 HydrophobicContact CZ-CD2 3.43Å; F178-L306 VanDerWaalsContact CZ-CD2 3.43Å; F178-L306 HydrophobicContact CZ-CG 4.14Å; I302-L306 HydrophobicContact CG2-CD1 4.19Å; I303-L306 PolarHBondContact O-N 3.28Å; S304-L306 VanDerWaalsContact C-N 3.33Å; L306-K313 HydrophobicContact CD1-CD 4.43Å
307	P	89.2	Confident	91.8	Very high	29 Å²	29	63.9 Å²	63.9	19%	0.188	33%	0.334	C	S	.	.			trans	-57.5	145.8	171.6	26.4	-36.5	0	0	0	111	E84 L175 V309	E84-P307 HydrophobicContact CB-CG 4.01Å; E84-P307 WeakPolarHBondContact O-CG 3.45Å; L175-P307 HydrophobicContact CD1-CG 3.72Å; P307-V309 PolarHBondContact O-N 3.03Å; P307-V309 VanDerWaalsContact O-N 3.09Å
308	R	90	Very high	91.8	Very high	246 Å²	246	56.7 Å²	56.7	93%	0.928	30%	0.302	S	S	*	.			trans	-69.3	109.1	175.2	-64.6	-174	-61.2	-169.7	-0.4	109.4
309	V	89.7	Confident	91.8	Very high	38 Å²	38	55.1 Å²	55.1	23%	0.23	30%	0.295	C	S	.	.			trans	-110.2	148.5	172.1	-66	0	0	0	0	110.1	L175 P307 Y311 K313	L175-V309 HydrophobicContact CD1-CG1 4.1Å; P307-V309 PolarHBondContact O-N 3.03Å; P307-V309 VanDerWaalsContact O-N 3.09Å; V309-Y311 HydrophobicContact CB-CD1 4.26Å; V309-Y311 HydrophobicContact CB-CE1 3.91Å; V309-Y311 HydrophobicContact CB-CE2 4.15Å; V309-Y311 HydrophobicContact CG1-CE1 4.14Å; V309-Y311 HydrophobicContact CG2-CD2 4.25Å; V309-Y311 HydrophobicContact CG2-CE2 3.95Å; V309-K313 HydrophobicContact CG2-CD 3.87Å; V309-K313 HydrophobicContact CG2-CG 4.07Å
310	S	90.1	Very high	91.8	Very high	128 Å²	128	57 Å²	57	90%	0.895	31%	0.307	S	S	*	.	S	Bend	trans	-83.8	-16.7	-177.8	55.1	0	0	0	0	114
311	Y	92.5	Very high	91.8	Very high	69 Å²	69	56.1 Å²	56.1	27%	0.271	29%	0.294	S	S	.	.	S	Bend	trans	-95.9	162.5	-180	55.8	-102	0	0	0	112.2	L175 Q176 V309 K313	L175-Y311 HydrophobicContact CB-CE2 4.07Å; L175-Y311 WeakPolarHBondContact CB-OH 3.39Å; L175-Y311 PolarHBondContact N-OH 3.48Å; Q176-Y311 HydrophobicContact CG-CD2 3.8Å; Q176-Y311 HydrophobicContact CG-CE2 3.92Å; Q176-Y311 HydrophobicContact CG-CG 4.44Å; V309-Y311 HydrophobicContact CB-CD1 4.26Å; V309-Y311 HydrophobicContact CB-CE1 3.91Å; V309-Y311 HydrophobicContact CB-CE2 4.15Å; V309-Y311 HydrophobicContact CG1-CE1 4.14Å; V309-Y311 HydrophobicContact CG2-CD2 4.25Å; V309-Y311 HydrophobicContact CG2-CE2 3.95Å; Y311-K313 HydrophobicContact CE2-CG 4.37Å
312	I	92.1	Very high	92	Very high	114 Å²	114	53.3 Å²	53.3	59%	0.585	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-80.3	130	-179.2	-58.7	173	0	0	0	110	D316 I317	I312-D316 HydrophobicContact CG2-CB 4.17Å; I312-I317 HydrophobicContact CG2-CD1 3.82Å; I312-I317 HydrophobicContact CG2-CG1 3.59Å
313	K	93.1	Very high	92.2	Very high	13 Å²	13	53.7 Å²	53.7	6%	0.057	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-94.5	156.6	174.7	-56.7	176.7	-63.2	-55.1	0	110.8	L175 L306 V309 Y311 I315 D316 I317	L175-K313 HydrophobicContact CB-CD 4.26Å; L175-K313 HydrophobicContact CB-CG 4.47Å; L175-K313 WeakPolarHBondContact O-CG 3.34Å; L306-K313 HydrophobicContact CD1-CD 4.43Å; V309-K313 HydrophobicContact CG2-CD 3.87Å; V309-K313 HydrophobicContact CG2-CG 4.07Å; Y311-K313 HydrophobicContact CE2-CG 4.37Å; K313-I315 VanDerWaalsContact C-N 3.26Å; K313-I315 HydrophobicContact CB-CG2 4.06Å; K313-I315 PolarHBondContact O-N 2.85Å; K313-D316 WeakPolarHBondContact CB-OD2 3.15Å; K313-D316 WeakPolarHBondContact CE-OD1 2.83Å; K313-D316 PolarHBondContact N-OD2 3.31Å; K313-D316 IonicContact NZ-OD1 3.21Å; K313-D316 PolarHBondContact NZ-OD1 2.88Å; K313-D316 IonicContact NZ-OD2 3.8Å; K313-D316 PolarHBondContact NZ-OD2 2.79Å; K313-D316 WeakPolarHBondContact O-CB 3.45Å; K313-D316 PolarHBondContact O-N 3.34Å; K313-I317 PolarHBondContact O-N 2.03Å
314	A	93.3	Very high	92.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-54.4	-43	175.4	0	0	0	0	0	112.3	Q176 D316 I317 W318 Y451 Y455	Q176-A314 PolarHBondContact O-N 2.62Å; A314-D316 VanDerWaalsContact C-N 3.3Å; A314-D316 PolarHBondContact O-N 3.17Å; A314-I317 PolarHBondContact O-N 3.42Å; A314-W318 PolarHBondContact O-N 2.87Å; A314-W318 VanDerWaalsContact O-N 3.09Å; A314-Y451 WeakPolarHBondContact O-CE2 3.47Å; A314-Y451 PolarHBondContact O-OH 2.84Å; A314-Y455 HydrophobicContact CB-CD1 3.52Å; A314-Y455 HydrophobicContact CB-CD2 4.06Å; A314-Y455 HydrophobicContact CB-CE1 3.3Å; A314-Y455 HydrophobicContact CB-CE2 3.88Å; A314-Y455 HydrophobicContact CB-CG 3.91Å; A314-Y455 VanDerWaalsContact CB-CZ 3.5Å
315	I	93.9	Very high	92.7	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-33.8	175.1	-162.7	158.3	0	0	0	112.9	F178 Y260 I302 K313 I317 W318 M319	F178-I315 HydrophobicContact CD1-CB 4.21Å; F178-I315 HydrophobicContact CD1-CD1 4.47Å; F178-I315 HydrophobicContact CD1-CG2 3.74Å; F178-I315 HydrophobicContact CE1-CD1 4.05Å; F178-I315 HydrophobicContact CE1-CG2 4.2Å; F178-I315 PolarHBondContact O-N 3.48Å; Y260-I315 HydrophobicContact CE2-CD1 4.21Å; Y260-I315 HydrophobicContact CE2-CG1 4.48Å; I302-I315 HydrophobicContact CD1-CD1 4.1Å; I302-I315 HydrophobicContact CG2-CD1 3.71Å; I302-I315 HydrophobicContact CG2-CG1 4.2Å; I302-I315 HydrophobicContact CG2-CG2 4.35Å; K313-I315 VanDerWaalsContact C-N 3.26Å; K313-I315 HydrophobicContact CB-CG2 4.06Å; K313-I315 PolarHBondContact O-N 2.85Å; I315-I317 VanDerWaalsContact C-N 3.33Å; I315-I317 PolarHBondContact O-N 2.87Å; I315-W318 WeakPolarHBondContact O-CB 3.33Å; I315-W318 PolarHBondContact O-N 2.88Å; I315-M319 HydrophobicContact CG1-CG 4.35Å; I315-M319 HydrophobicContact CG1-SD 4.28Å; I315-M319 VanDerWaalsContact O-CG 3.23Å; I315-M319 WeakPolarHBondContact O-CG 3.31Å; I315-M319 PolarHBondContact O-N 2.89Å
316	D	94.1	Very high	93	Very high	16 Å²	16	47.4 Å²	47.4	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-40.4	177.8	-56.3	-29.5	0	0	0	110.4	I312 K313 A314 M319 L320	I312-D316 HydrophobicContact CG2-CB 4.17Å; K313-D316 WeakPolarHBondContact CB-OD2 3.15Å; K313-D316 WeakPolarHBondContact CE-OD1 2.83Å; K313-D316 PolarHBondContact N-OD2 3.31Å; K313-D316 IonicContact NZ-OD1 3.21Å; K313-D316 PolarHBondContact NZ-OD1 2.88Å; K313-D316 IonicContact NZ-OD2 3.8Å; K313-D316 PolarHBondContact NZ-OD2 2.79Å; K313-D316 WeakPolarHBondContact O-CB 3.45Å; K313-D316 PolarHBondContact O-N 3.34Å; A314-D316 VanDerWaalsContact C-N 3.3Å; A314-D316 PolarHBondContact O-N 3.17Å; D316-M319 PolarHBondContact O-N 2.99Å; D316-L320 VanDerWaalsContact O-CB 3.3Å; D316-L320 WeakPolarHBondContact O-CB 3.04Å; D316-L320 VanDerWaalsContact O-CG 3.24Å; D316-L320 WeakPolarHBondContact O-CG 3.05Å; D316-L320 PolarHBondContact O-N 2.97Å
317	I	94.3	Very high	93.4	Very high	61 Å²	61	51.9 Å²	51.9	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-43	175.9	-68	163.5	0	0	0	110.6	I312 K313 A314 I315 M319 S321 Y455	I312-I317 HydrophobicContact CG2-CD1 3.82Å; I312-I317 HydrophobicContact CG2-CG1 3.59Å; K313-I317 PolarHBondContact O-N 2.03Å; A314-I317 PolarHBondContact O-N 3.42Å; I315-I317 VanDerWaalsContact C-N 3.33Å; I315-I317 PolarHBondContact O-N 2.87Å; I317-M319 VanDerWaalsContact C-N 3.33Å; I317-M319 PolarHBondContact O-N 3.16Å; I317-S321 WeakPolarHBondContact O-CB 3.3Å; I317-S321 PolarHBondContact O-N 3.05Å; I317-S321 PolarHBondContact O-OG 3.36Å; I317-Y455 WeakPolarHBondContact CD1-OH 3.2Å
318	W	94.1	Very high	93.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-46.4	173.7	176.1	-103	0	0	0	111.9	Y260 Y264 A314 I315 S321 G322 F444 F447 N448 Y451	Y260-W318 AromaticContact CD1-CD1 3.79Å; Y260-W318 AromaticContact CD1-CD2 3.75Å; Y260-W318 HydrophobicContact CD1-CD2 3.75Å; Y260-W318 AromaticContact CD1-CE2 3.64Å; Y260-W318 HydrophobicContact CD1-CE3 4.41Å; Y260-W318 AromaticContact CD1-CG 3.88Å; Y260-W318 HydrophobicContact CD1-CG 3.88Å; Y260-W318 HydrophobicContact CD1-CZ2 4.24Å; Y260-W318 AromaticContact CD1-NE1 3.62Å; Y260-W318 HydrophobicContact CE1-CB 4Å; Y260-W318 AromaticContact CE1-CD1 3.78Å; Y260-W318 AromaticContact CE1-CD2 3.71Å; Y260-W318 HydrophobicContact CE1-CD2 3.71Å; Y260-W318 HydrophobicContact CE1-CE3 4.26Å; Y260-W318 AromaticContact CE1-CG 3.54Å; Y260-W318 HydrophobicContact CE1-CG 3.54Å; Y264-W318 HydrophobicContact CD1-CH2 4.05Å; Y264-W318 HydrophobicContact CD1-CZ2 4.09Å; Y264-W318 HydrophobicContact CD2-CH2 4.26Å; Y264-W318 AromaticContact CD2-CZ2 3.79Å; Y264-W318 HydrophobicContact CD2-CZ2 3.79Å; Y264-W318 AromaticContact CE1-CH2 3.46Å; Y264-W318 HydrophobicContact CE1-CH2 3.46Å; Y264-W318 VanDerWaalsContact CE1-CH2 3.46Å; Y264-W318 AromaticContact CE1-CZ2 3.92Å; Y264-W318 HydrophobicContact CE1-CZ2 3.92Å; Y264-W318 AromaticContact CE2-CH2 3.68Å; Y264-W318 HydrophobicContact CE2-CH2 3.68Å; Y264-W318 AromaticContact CE2-CZ2 3.58Å; Y264-W318 HydrophobicContact CE2-CZ2 3.58Å; Y264-W318 HydrophobicContact CG-CH2 4.43Å; Y264-W318 HydrophobicContact CG-CZ2 4.05Å; Y264-W318 AromaticContact CZ-CH2 3.28Å; Y264-W318 AromaticContact CZ-CZ2 3.68Å; A314-W318 PolarHBondContact O-N 2.87Å; A314-W318 VanDerWaalsContact O-N 3.09Å; I315-W318 WeakPolarHBondContact O-CB 3.33Å; I315-W318 PolarHBondContact O-N 2.88Å; W318-S321 PolarHBondContact O-OG 2.9Å; W318-G322 PolarHBondContact O-N 2.78Å; W318-F444 HydrophobicContact CH2-CE1 4.44Å; W318-F444 HydrophobicContact CH2-CE2 4.19Å; W318-F444 AromaticContact CH2-CZ 3.59Å; W318-F444 HydrophobicContact CH2-CZ 3.59Å; W318-F444 HydrophobicContact CZ2-CZ 4.15Å; W318-F444 HydrophobicContact CZ3-CZ 4.36Å; W318-F447 AromaticContact CE3-CE1 3.65Å; W318-F447 HydrophobicContact CE3-CE1 3.65Å; W318-F447 HydrophobicContact CE3-CZ 4.3Å; W318-F447 HydrophobicContact CZ3-CD1 4.2Å; W318-F447 AromaticContact CZ3-CE1 3.61Å; W318-F447 HydrophobicContact CZ3-CE1 3.61Å; W318-N448 WeakPolarHBondContact CH2-OD1 3.5Å; W318-N448 WeakPolarHBondContact CZ3-OD1 3.45Å; W318-Y451 HydrophobicContact CB-CE2 3.96Å; W318-Y451 HydrophobicContact CE3-CD1 4.06Å; W318-Y451 HydrophobicContact CE3-CD2 4.4Å; W318-Y451 HydrophobicContact CE3-CE1 4.18Å; W318-Y451 HydrophobicContact CE3-CE2 4.48Å; W318-Y451 HydrophobicContact CE3-CG 4.21Å; W318-Y451 HydrophobicContact CZ3-CD1 4.45Å
319	M	94.3	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-74.8	-42.4	-174.9	-65.1	-167.1	80.8	0	0	113.1	M295 Q298 F299 I302 I315 D316 I317 G322 M323	M295-M319 VanDerWaalsContact CE-CA 3.46Å; M295-M319 HydrophobicContact CE-CB 3.87Å; M295-M319 HydrophobicContact CE-CE 3.99Å; M295-M319 HydrophobicContact CE-CG 4.03Å; M295-M319 WeakPolarHBondContact CE-O 3.46Å; Q298-M319 VanDerWaalsContact C-CE 3.49Å; Q298-M319 HydrophobicContact CB-CE 3.99Å; Q298-M319 HydrophobicContact CG-CE 3.82Å; F299-M319 HydrophobicContact CB-CE 3.6Å; F299-M319 HydrophobicContact CB-SD 4.22Å; F299-M319 HydrophobicContact CD2-CB 3.52Å; F299-M319 HydrophobicContact CD2-CE 4.12Å; F299-M319 HydrophobicContact CD2-CG 4.17Å; F299-M319 HydrophobicContact CD2-SD 3.65Å; F299-M319 HydrophobicContact CE2-CB 4.03Å; F299-M319 HydrophobicContact CG-CB 4.46Å; F299-M319 HydrophobicContact CG-CE 4.38Å; F299-M319 HydrophobicContact CG-SD 4.42Å; I302-M319 HydrophobicContact CB-SD 4.12Å; I302-M319 HydrophobicContact CD1-CE 3.74Å; I302-M319 HydrophobicContact CD1-SD 3.39Å; I302-M319 WeakPolarHBondContact CD1-SD 3.35Å; I302-M319 HydrophobicContact CG1-SD 4.32Å; I302-M319 HydrophobicContact CG2-SD 4.26Å; I315-M319 HydrophobicContact CG1-CG 4.35Å; I315-M319 HydrophobicContact CG1-SD 4.28Å; I315-M319 VanDerWaalsContact O-CG 3.23Å; I315-M319 WeakPolarHBondContact O-CG 3.31Å; I315-M319 PolarHBondContact O-N 2.89Å; D316-M319 PolarHBondContact O-N 2.99Å; I317-M319 VanDerWaalsContact C-N 3.33Å; I317-M319 PolarHBondContact O-N 3.16Å; M319-G322 PolarHBondContact O-N 2.81Å; M319-M323 WeakPolarHBondContact O-CG 3.44Å; M319-M323 PolarHBondContact O-N 2.58Å
320	L	94.5	Very high	93.9	Very high	86 Å²	86	40.1 Å²	40.1	45%	0.45	22%	0.22	S	C	.	.	H	α-helix	trans	-66.9	-40	177.1	-69.3	173.4	0	0	0	111.9	F299 D316 M323 T324	F299-L320 HydrophobicContact CE2-CG 4.47Å; F299-L320 HydrophobicContact CZ-CD2 4.12Å; F299-L320 HydrophobicContact CZ-CG 4.38Å; D316-L320 VanDerWaalsContact O-CB 3.3Å; D316-L320 WeakPolarHBondContact O-CB 3.04Å; D316-L320 VanDerWaalsContact O-CG 3.24Å; D316-L320 WeakPolarHBondContact O-CG 3.05Å; D316-L320 PolarHBondContact O-N 2.97Å; L320-M323 PolarHBondContact O-N 3.34Å; L320-T324 WeakPolarHBondContact O-CB 3.28Å; L320-T324 PolarHBondContact O-N 3.03Å; L320-T324 PolarHBondContact O-OG1 3.22Å
321	S	94.7	Very high	94	Very high	20 Å²	20	38.5 Å²	38.5	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-46.4	173.5	59.4	0	0	0	0	111.1	I317 W318 M323 T324 F325 F447	I317-S321 WeakPolarHBondContact O-CB 3.3Å; I317-S321 PolarHBondContact O-N 3.05Å; I317-S321 PolarHBondContact O-OG 3.36Å; W318-S321 PolarHBondContact O-OG 2.9Å; S321-M323 PolarHBondContact O-N 2.79Å; S321-T324 WeakPolarHBondContact O-CA 3.5Å; S321-T324 WeakPolarHBondContact O-CB 3.45Å; S321-T324 PolarHBondContact O-N 2.85Å; S321-F325 WeakPolarHBondContact O-CD2 3.36Å; S321-F325 PolarHBondContact O-N 2.84Å; S321-F447 VanDerWaalsContact OG-CE1 3.31Å; S321-F447 WeakPolarHBondContact OG-CE1 3.39Å; S321-F447 WeakPolarHBondContact OG-CZ 3.48Å
322	G	95.1	Very high	94	Very high	1 Å²	1	36 Å²	36	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-46.5	174.7	0	0	0	0	0	113.2	W318 M319 T324 F325 I326	W318-G322 PolarHBondContact O-N 2.78Å; M319-G322 PolarHBondContact O-N 2.81Å; G322-T324 VanDerWaalsContact C-N 3.3Å; G322-T324 PolarHBondContact O-N 3.48Å; G322-F325 PolarHBondContact O-N 2.79Å; G322-I326 WeakPolarHBondContact O-CG1 3.22Å; G322-I326 PolarHBondContact O-N 2.88Å; G322-I326 VanDerWaalsContact O-N 3.08Å
323	M	95.1	Very high	94	Very high	27 Å²	27	31.3 Å²	31.3	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-41	173.3	-72.8	-177.6	-163.9	0	0	112.3	M295 F299 M319 L320 S321 F325 I326 F327	M295-M323 HydrophobicContact CB-CG 4.23Å; M295-M323 HydrophobicContact CG-CE 4.19Å; M295-M323 HydrophobicContact CG-CG 3.48Å; M295-M323 VanDerWaalsContact CG-CG 3.48Å; M295-M323 WeakPolarHBondContact O-CE 2.92Å; F299-M323 HydrophobicContact CB-CE 3.19Å; F299-M323 HydrophobicContact CD1-CE 3.83Å; F299-M323 HydrophobicContact CD2-CE 4.21Å; F299-M323 HydrophobicContact CG-CE 3.51Å; M319-M323 WeakPolarHBondContact O-CG 3.44Å; M319-M323 PolarHBondContact O-N 2.58Å; L320-M323 PolarHBondContact O-N 3.34Å; S321-M323 PolarHBondContact O-N 2.79Å; M323-F325 VanDerWaalsContact C-N 3.35Å; M323-F325 PolarHBondContact O-N 2.76Å; M323-I326 PolarHBondContact O-N 3.03Å; M323-F327 WeakPolarHBondContact O-CB 3.44Å; M323-F327 PolarHBondContact O-N 2.83Å
324	T	94.9	Very high	93.9	Very high	90 Å²	90	33.7 Å²	33.7	55%	0.552	19%	0.189	S	C	*	.	H	α-helix	trans	-63.8	-40	178.3	-56.9	0	0	0	0	111.3	L320 S321 G322 F327 A328	L320-T324 WeakPolarHBondContact O-CB 3.28Å; L320-T324 PolarHBondContact O-N 3.03Å; L320-T324 PolarHBondContact O-OG1 3.22Å; S321-T324 WeakPolarHBondContact O-CA 3.5Å; S321-T324 WeakPolarHBondContact O-CB 3.45Å; S321-T324 PolarHBondContact O-N 2.85Å; G322-T324 VanDerWaalsContact C-N 3.3Å; G322-T324 PolarHBondContact O-N 3.48Å; T324-F327 PolarHBondContact O-N 2.99Å; T324-A328 WeakPolarHBondContact O-CB 3.33Å; T324-A328 PolarHBondContact O-N 2.9Å
325	F	95.1	Very high	93.8	Very high	33 Å²	33	37.4 Å²	37.4	15%	0.145	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-43.4	174.1	-81	-74.1	0	0	0	112.5	S321 G322 M323 A328 S329 F440 I443 F444 F447	S321-F325 WeakPolarHBondContact O-CD2 3.36Å; S321-F325 PolarHBondContact O-N 2.84Å; G322-F325 PolarHBondContact O-N 2.79Å; M323-F325 VanDerWaalsContact C-N 3.35Å; M323-F325 PolarHBondContact O-N 2.76Å; F325-A328 PolarHBondContact O-N 2.84Å; F325-S329 PolarHBondContact O-N 2.88Å; F325-F440 HydrophobicContact CD1-CD1 4.45Å; F325-I443 HydrophobicContact CE1-CB 4.27Å; F325-I443 HydrophobicContact CE1-CG2 3.74Å; F325-I443 HydrophobicContact CZ-CG2 3.84Å; F325-F444 AromaticContact CD2-CD2 3.8Å; F325-F444 HydrophobicContact CD2-CD2 3.8Å; F325-F444 HydrophobicContact CD2-CE2 4.34Å; F325-F444 HydrophobicContact CE1-CB 4.41Å; F325-F444 AromaticContact CE2-CD2 3.77Å; F325-F444 HydrophobicContact CE2-CD2 3.77Å; F325-F444 HydrophobicContact CG-CD2 4.32Å; F325-F444 HydrophobicContact CZ-CB 4.4Å; F325-F444 HydrophobicContact CZ-CD2 4.23Å; F325-F447 HydrophobicContact CE2-CB 4.48Å; F325-F447 HydrophobicContact CE2-CD1 4.44Å; F325-F447 HydrophobicContact CE2-CG 4.37Å; F325-F447 HydrophobicContact CZ-CB 4.44Å
326	I	95.2	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-43.6	176.6	-62.8	167.2	0	0	0	110	I266 I267 A291 L292 M295 G322 M323 A328 S329 L330	I266-I326 HydrophobicContact CG2-CD1 3.86Å; I267-I326 HydrophobicContact CG1-CD1 4.23Å; I267-I326 HydrophobicContact CG1-CG1 4.37Å; A291-I326 HydrophobicContact CB-CD1 4.41Å; A291-I326 HydrophobicContact CB-CG2 4.17Å; L292-I326 HydrophobicContact CB-CG2 3.82Å; L292-I326 HydrophobicContact CD1-CB 4.46Å; L292-I326 HydrophobicContact CD1-CG2 4.23Å; M295-I326 HydrophobicContact CB-CD1 3.86Å; M295-I326 HydrophobicContact CG-CD1 4.1Å; G322-I326 WeakPolarHBondContact O-CG1 3.22Å; G322-I326 PolarHBondContact O-N 2.88Å; G322-I326 VanDerWaalsContact O-N 3.08Å; M323-I326 PolarHBondContact O-N 3.03Å; I326-A328 PolarHBondContact O-N 2.86Å; I326-S329 WeakPolarHBondContact O-CB 3.42Å; I326-S329 PolarHBondContact O-N 2.98Å; I326-S329 VanDerWaalsContact O-N 3.13Å; I326-S329 PolarHBondContact O-OG 2.72Å; I326-L330 PolarHBondContact O-N 2.93Å; I326-L330 VanDerWaalsContact O-N 3.12Å
327	F	95.3	Very high	93.4	Very high	111 Å²	111	37.2 Å²	37.2	49%	0.487	21%	0.214	S	C	.	.	H	α-helix	trans	-61.9	-41.7	176.2	-177.7	-103	0	0	0	112.3	M323 T324 S329 L330 L331	M323-F327 WeakPolarHBondContact O-CB 3.44Å; M323-F327 PolarHBondContact O-N 2.83Å; T324-F327 PolarHBondContact O-N 2.99Å; F327-S329 VanDerWaalsContact C-N 3.28Å; F327-S329 PolarHBondContact O-N 3.24Å; F327-L330 WeakPolarHBondContact O-CB 3.46Å; F327-L330 PolarHBondContact O-N 2.79Å; F327-L330 VanDerWaalsContact O-N 3.07Å; F327-L331 HydrophobicContact CD1-CD1 4.01Å; F327-L331 HydrophobicContact CD1-CG 4.33Å; F327-L331 HydrophobicContact CE1-CD1 3.61Å; F327-L331 HydrophobicContact CE1-CD2 4.34Å; F327-L331 HydrophobicContact CE1-CG 3.95Å; F327-L331 HydrophobicContact CZ-CD1 4.36Å; F327-L331 HydrophobicContact CZ-CD2 4.28Å; F327-L331 HydrophobicContact CZ-CG 4.28Å; F327-L331 PolarHBondContact O-N 2.82Å
328	A	94.4	Very high	93.2	Very high	33 Å²	33	39.3 Å²	39.3	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-34.4	174	0	0	0	0	0	112.4	T324 F325 I326 L330 L331 E332 F440	T324-A328 WeakPolarHBondContact O-CB 3.33Å; T324-A328 PolarHBondContact O-N 2.9Å; F325-A328 PolarHBondContact O-N 2.84Å; I326-A328 PolarHBondContact O-N 2.86Å; A328-L330 VanDerWaalsContact C-N 3.31Å; A328-L330 PolarHBondContact O-N 3.25Å; A328-L331 PolarHBondContact O-N 2.79Å; A328-E332 PolarHBondContact O-N 2.85Å; A328-F440 HydrophobicContact CB-CE1 3.76Å; A328-F440 HydrophobicContact CB-CZ 4.1Å
329	S	91.9	Very high	93	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-31.5	172.8	77.2	0	0	0	0	113	F325 I326 F327 L333	F325-S329 PolarHBondContact O-N 2.88Å; I326-S329 WeakPolarHBondContact O-CB 3.42Å; I326-S329 PolarHBondContact O-N 2.98Å; I326-S329 VanDerWaalsContact O-N 3.13Å; I326-S329 PolarHBondContact O-OG 2.72Å; F327-S329 VanDerWaalsContact C-N 3.28Å; F327-S329 PolarHBondContact O-N 3.24Å; S329-L333 PolarHBondContact O-N 2.91Å
330	L	93.8	Very high	92.6	Very high	32 Å²	32	40.5 Å²	40.5	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-73.9	-36.1	173.5	-71.7	173.9	0	0	0	112.6	V289 L292 I326 F327 A328 E332 L333 A334	V289-L330 HydrophobicContact CG2-CD2 4.25Å; L292-L330 HydrophobicContact CB-CD1 4.45Å; L292-L330 HydrophobicContact CD2-CD1 3.9Å; I326-L330 PolarHBondContact O-N 2.93Å; I326-L330 VanDerWaalsContact O-N 3.12Å; F327-L330 WeakPolarHBondContact O-CB 3.46Å; F327-L330 PolarHBondContact O-N 2.79Å; F327-L330 VanDerWaalsContact O-N 3.07Å; A328-L330 VanDerWaalsContact C-N 3.31Å; A328-L330 PolarHBondContact O-N 3.25Å; L330-E332 VanDerWaalsContact C-N 3.32Å; L330-L333 HydrophobicContact CD2-CD2 4.24Å; L330-L333 WeakPolarHBondContact O-CB 3.28Å; L330-L333 PolarHBondContact O-N 2.73Å; L330-A334 PolarHBondContact O-N 3.39Å
331	L	93.4	Very high	92.3	Very high	94 Å²	94	40.8 Å²	40.8	49%	0.492	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-41.5	172.1	-72.9	176.5	0	0	0	111.2	F327 A328 A334 V335	F327-L331 HydrophobicContact CD1-CD1 4.01Å; F327-L331 HydrophobicContact CD1-CG 4.33Å; F327-L331 HydrophobicContact CE1-CD1 3.61Å; F327-L331 HydrophobicContact CE1-CD2 4.34Å; F327-L331 HydrophobicContact CE1-CG 3.95Å; F327-L331 HydrophobicContact CZ-CD1 4.36Å; F327-L331 HydrophobicContact CZ-CD2 4.28Å; F327-L331 HydrophobicContact CZ-CG 4.28Å; F327-L331 PolarHBondContact O-N 2.82Å; A328-L331 PolarHBondContact O-N 2.79Å; L331-A334 WeakPolarHBondContact O-CB 3.23Å; L331-A334 PolarHBondContact O-N 2.92Å; L331-V335 WeakPolarHBondContact O-CG2 3.38Å; L331-V335 PolarHBondContact O-N 2.72Å
332	E	92.6	Very high	92	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-48.1	174	-169.4	-86.3	176.5	0	0	111.4	F274 R284 A328 L330 A334 V335 V336 I432 S436	F274-E332 HydrophobicContact CE1-CG 4.46Å; R284-E332 IonicContact NH2-OE1 3.83Å; R284-E332 IonicContact NH2-OE2 3.26Å; R284-E332 PolarHBondContact NH2-OE2 2.93Å; A328-E332 PolarHBondContact O-N 2.85Å; L330-E332 VanDerWaalsContact C-N 3.32Å; E332-A334 VanDerWaalsContact C-N 3.29Å; E332-A334 PolarHBondContact O-N 3.37Å; E332-V335 PolarHBondContact O-N 3.27Å; E332-V335 VanDerWaalsContact O-N 3.11Å; E332-V336 WeakPolarHBondContact O-CG2 3.37Å; E332-V336 PolarHBondContact O-N 2.76Å; E332-V336 WeakPolarHBondContact OE1-CG2 3.29Å; E332-I432 HydrophobicContact CG-CG2 4.39Å; E332-S436 VanDerWaalsContact CG-OG 3.3Å; E332-S436 WeakPolarHBondContact CG-OG 3.3Å; E332-S436 PolarHBondContact OE1-OG 3.44Å
333	L	91.2	Very high	91.6	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-41.2	174.5	172.9	62.7	0	0	0	112.4	L281 R284 S329 L330 G337	L281-L333 HydrophobicContact CD2-CD1 4.02Å; R284-L333 HydrophobicContact CB-CD1 3.57Å; R284-L333 HydrophobicContact CB-CD2 4.04Å; R284-L333 HydrophobicContact CB-CG 4.45Å; R284-L333 HydrophobicContact CG-CD1 4.38Å; S329-L333 PolarHBondContact O-N 2.91Å; L330-L333 HydrophobicContact CD2-CD2 4.24Å; L330-L333 WeakPolarHBondContact O-CB 3.28Å; L330-L333 PolarHBondContact O-N 2.73Å; L333-G337 PolarHBondContact O-N 2.87Å
334	A	91.9	Very high	91.3	Very high	64 Å²	64	46.9 Å²	46.9	53%	0.529	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-40.9	177.8	0	0	0	0	0	111.9	L330 L331 E332 H338	L330-A334 PolarHBondContact O-N 3.39Å; L331-A334 WeakPolarHBondContact O-CB 3.23Å; L331-A334 PolarHBondContact O-N 2.92Å; E332-A334 VanDerWaalsContact C-N 3.29Å; E332-A334 PolarHBondContact O-N 3.37Å; A334-H338 PolarHBondContact O-N 3.06Å
335	V	91	Very high	91	Very high	79 Å²	79	49.9 Å²	49.9	48%	0.479	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-48.7	176.4	173.6	0	0	0	0	111.1	L331 E332 G337 H338 L339	L331-V335 WeakPolarHBondContact O-CG2 3.38Å; L331-V335 PolarHBondContact O-N 2.72Å; E332-V335 PolarHBondContact O-N 3.27Å; E332-V335 VanDerWaalsContact O-N 3.11Å; V335-G337 VanDerWaalsContact C-N 3.32Å; V335-G337 PolarHBondContact O-N 2.78Å; V335-H338 PolarHBondContact O-N 2.95Å; V335-L339 HydrophobicContact CG1-CD1 4Å; V335-L339 WeakPolarHBondContact O-CG 3.22Å; V335-L339 PolarHBondContact O-N 3.31Å
336	V	90.4	Very high	90.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-41.6	177.7	171.8	0	0	0	0	110.9	T278 E332 H338 L339 S340 P429 I432	T278-V336 HydrophobicContact CG2-CG1 4.04Å; E332-V336 WeakPolarHBondContact O-CG2 3.37Å; E332-V336 PolarHBondContact O-N 2.76Å; E332-V336 WeakPolarHBondContact OE1-CG2 3.29Å; V336-H338 PolarHBondContact O-N 2.82Å; V336-L339 PolarHBondContact O-N 2.81Å; V336-S340 VanDerWaalsContact O-CB 3.29Å; V336-S340 WeakPolarHBondContact O-CB 3.27Å; V336-S340 PolarHBondContact O-N 2.88Å; V336-S340 PolarHBondContact O-OG 2.81Å; V336-P429 HydrophobicContact CG1-CB 4.01Å; V336-I432 HydrophobicContact CG2-CB 4.2Å; V336-I432 HydrophobicContact CG2-CG2 3.87Å
337	G	89.2	Confident	90.3	Very high	15 Å²	15	57.4 Å²	57.4	16%	0.155	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-46.3	173.9	0	0	0	0	0	112.2	L333 V335 S340 H341	L333-G337 PolarHBondContact O-N 2.87Å; V335-G337 VanDerWaalsContact C-N 3.32Å; V335-G337 PolarHBondContact O-N 2.78Å; G337-S340 PolarHBondContact O-N 2.89Å; G337-S340 PolarHBondContact O-OG 2.78Å; G337-H341 PolarHBondContact O-N 3.35Å; G337-H341 VanDerWaalsContact O-N 3.16Å
338	H	89.3	Confident	90	Very high	104 Å²	104	57.7 Å²	57.7	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-46.3	177.4	-173.3	69.2	0	0	0	112.7	A334 V335 V336 H341 I342	A334-H338 PolarHBondContact O-N 3.06Å; V335-H338 PolarHBondContact O-N 2.95Å; V336-H338 PolarHBondContact O-N 2.82Å; H338-H341 PolarHBondContact O-N 3.34Å; H338-I342 WeakPolarHBondContact NE2-CD1 3.22Å; H338-I342 PolarHBondContact O-N 3.36Å; H338-I342 VanDerWaalsContact O-N 3.14Å
339	L	89.1	Confident	89.7	Confident	24 Å²	24	60.9 Å²	60.9	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-39.7	179.2	-68.5	173	0	0	0	112.3	V335 V336 H341 I342 K343 V423 P429 I432	V335-L339 HydrophobicContact CG1-CD1 4Å; V335-L339 WeakPolarHBondContact O-CG 3.22Å; V335-L339 PolarHBondContact O-N 3.31Å; V336-L339 PolarHBondContact O-N 2.81Å; L339-H341 VanDerWaalsContact C-N 3.32Å; L339-H341 PolarHBondContact O-N 2.9Å; L339-I342 PolarHBondContact O-N 3.03Å; L339-K343 WeakPolarHBondContact O-CB 3.33Å; L339-K343 PolarHBondContact O-N 3.45Å; L339-V423 HydrophobicContact CD2-CG1 4.19Å; L339-P429 HydrophobicContact CB-CB 4.37Å; L339-I432 HydrophobicContact CD1-CD1 3.28Å
340	S	87.6	Confident	89.4	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-42.4	176.1	74.5	0	0	0	0	111.5	V336 G337 K343 M344	V336-S340 VanDerWaalsContact O-CB 3.29Å; V336-S340 WeakPolarHBondContact O-CB 3.27Å; V336-S340 PolarHBondContact O-N 2.88Å; V336-S340 PolarHBondContact O-OG 2.81Å; G337-S340 PolarHBondContact O-N 2.89Å; G337-S340 PolarHBondContact O-OG 2.78Å; S340-K343 WeakPolarHBondContact O-CB 3.29Å; S340-K343 PolarHBondContact O-N 2.63Å; S340-M344 WeakPolarHBondContact O-CG 3.5Å; S340-M344 PolarHBondContact O-N 2.89Å
341	H	87.7	Confident	89.2	Confident	92 Å²	92	69.1 Å²	69.1	43%	0.426	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-39.1	178.9	-175	-108.3	0	0	0	112.4	G337 H338 L339 M344 R345	G337-H341 PolarHBondContact O-N 3.35Å; G337-H341 VanDerWaalsContact O-N 3.16Å; H338-H341 PolarHBondContact O-N 3.34Å; L339-H341 VanDerWaalsContact C-N 3.32Å; L339-H341 PolarHBondContact O-N 2.9Å; H341-M344 PolarHBondContact O-N 2.85Å; H341-R345 PolarHBondContact CE1-NE 3.46Å; H341-R345 PolarHBondContact CE1-NH2 3.26Å; H341-R345 WeakPolarHBondContact O-CG 3.48Å; H341-R345 PolarHBondContact O-N 2.85Å
342	I	88.7	Confident	88.9	Confident	47 Å²	47	69.8 Å²	69.8	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-44.4	172.1	-69.5	171.3	0	0	0	110.8	H338 L339 R345 K346	H338-I342 WeakPolarHBondContact NE2-CD1 3.22Å; H338-I342 PolarHBondContact O-N 3.36Å; H338-I342 VanDerWaalsContact O-N 3.14Å; L339-I342 PolarHBondContact O-N 3.03Å; I342-R345 PolarHBondContact O-N 3.14Å; I342-K346 HydrophobicContact CG2-CD 4.36Å; I342-K346 WeakPolarHBondContact O-CG 3.41Å; I342-K346 PolarHBondContact O-N 2.79Å
343	K	87	Confident	88.4	Confident	56 Å²	56	72.4 Å²	72.4	24%	0.243	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-45.6	178.2	-173.3	175.5	-179	172.3	0	111.3	L339 S340 R345 K346 Q347 D428 P429 E430	L339-K343 WeakPolarHBondContact O-CB 3.33Å; L339-K343 PolarHBondContact O-N 3.45Å; S340-K343 WeakPolarHBondContact O-CB 3.29Å; S340-K343 PolarHBondContact O-N 2.63Å; K343-R345 PolarHBondContact O-N 2.93Å; K343-K346 PolarHBondContact O-N 2.87Å; K343-Q347 WeakPolarHBondContact O-CG 3.31Å; K343-Q347 PolarHBondContact O-N 2.95Å; K343-D428 IonicContact NZ-OD1 3.52Å; K343-D428 PolarHBondContact NZ-OD1 2.85Å; K343-P429 HydrophobicContact CD-CG 4Å; K343-E430 IonicContact NZ-OE1 2.67Å; K343-E430 PolarHBondContact NZ-OE1 2.66Å; K343-E430 IonicContact NZ-OE2 3.36Å; K343-E430 PolarHBondContact NZ-OE2 3.18Å
344	M	86.8	Confident	88	Confident	72 Å²	72	75.9 Å²	75.9	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-43.4	176.1	-70.8	-179	76.8	0	0	112.3	M279 S340 H341 Q347 Q348	M279-M344 HydrophobicContact CE-CE 3.79Å; M279-M344 HydrophobicContact CE-SD 3.86Å; M279-M344 HydrophobicContact SD-SD 4.32Å; S340-M344 WeakPolarHBondContact O-CG 3.5Å; S340-M344 PolarHBondContact O-N 2.89Å; H341-M344 PolarHBondContact O-N 2.85Å; M344-Q347 PolarHBondContact O-N 2.77Å; M344-Q348 WeakPolarHBondContact O-CG 3.34Å; M344-Q348 PolarHBondContact O-N 2.91Å
345	R	88.7	Confident	87.4	Confident	154 Å²	154	75.5 Å²	75.5	58%	0.581	38%	0.383	S	S	*	.	H	α-helix	trans	-61.8	-43.7	176.4	-77.2	-178.7	169.6	-169	-3.4	112.5	H341 I342 K343 Q347 Q348 Q349	H341-R345 PolarHBondContact CE1-NE 3.46Å; H341-R345 PolarHBondContact CE1-NH2 3.26Å; H341-R345 WeakPolarHBondContact O-CG 3.48Å; H341-R345 PolarHBondContact O-N 2.85Å; I342-R345 PolarHBondContact O-N 3.14Å; K343-R345 PolarHBondContact O-N 2.93Å; R345-Q347 VanDerWaalsContact C-N 3.34Å; R345-Q347 PolarHBondContact O-N 2.86Å; R345-Q348 PolarHBondContact O-N 2.72Å; R345-Q349 PolarHBondContact O-N 2.98Å
346	K	88.2	Confident	86.8	Confident	88 Å²	88	74.3 Å²	74.3	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-40.6	175.4	-72.8	-179.4	179.9	142.9	0	112.1	I342 K343 Q349 A350 Q425	I342-K346 HydrophobicContact CG2-CD 4.36Å; I342-K346 WeakPolarHBondContact O-CG 3.41Å; I342-K346 PolarHBondContact O-N 2.79Å; K343-K346 PolarHBondContact O-N 2.87Å; K346-Q349 PolarHBondContact O-N 2.85Å; K346-A350 WeakPolarHBondContact O-CB 3.2Å; K346-A350 PolarHBondContact O-N 2.92Å; K346-Q425 VanDerWaalsContact CE-NE2 3.31Å
347	Q	87.5	Confident	85.7	Confident	103 Å²	103	81.7 Å²	81.7	48%	0.481	41%	0.412	S	S	.	.	H	α-helix	trans	-65.9	-37.2	175.5	-72.2	176.5	-7.8	0	0	112.4	K343 M344 R345 K351	K343-Q347 WeakPolarHBondContact O-CG 3.31Å; K343-Q347 PolarHBondContact O-N 2.95Å; M344-Q347 PolarHBondContact O-N 2.77Å; R345-Q347 VanDerWaalsContact C-N 3.34Å; R345-Q347 PolarHBondContact O-N 2.86Å; Q347-K351 VanDerWaalsContact O-CG 3.27Å; Q347-K351 WeakPolarHBondContact O-CG 3.18Å; Q347-K351 PolarHBondContact O-N 3.47Å; Q347-K351 VanDerWaalsContact O-N 3.09Å
348	Q	89.4	Confident	84.5	Confident	117 Å²	117	91.5 Å²	91.5	55%	0.547	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-45.8	173.6	-75.5	175.1	-23.9	0	0	111.5	M344 R345 K351 L352	M344-Q348 WeakPolarHBondContact O-CG 3.34Å; M344-Q348 PolarHBondContact O-N 2.91Å; R345-Q348 PolarHBondContact O-N 2.72Å; Q348-K351 WeakPolarHBondContact O-CB 3.2Å; Q348-K351 PolarHBondContact O-N 3.11Å; Q348-L352 WeakPolarHBondContact O-CG 3.41Å; Q348-L352 PolarHBondContact O-N 3.42Å
349	Q	88.6	Confident	82.9	Confident	99 Å²	99	90.9 Å²	90.9	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-46.4	177.1	-171.8	59.8	39.4	0	0	111.5	R345 K346 K351 L352 D353	R345-Q349 PolarHBondContact O-N 2.98Å; K346-Q349 PolarHBondContact O-N 2.85Å; Q349-K351 VanDerWaalsContact C-N 3.26Å; Q349-K351 PolarHBondContact O-N 2.78Å; Q349-L352 CarbonylContact O-C 3.55Å; Q349-L352 WeakPolarHBondContact O-CA 3.4Å; Q349-L352 WeakPolarHBondContact O-CB 3.05Å; Q349-L352 PolarHBondContact O-N 3.29Å; Q349-D353 PolarHBondContact NE2-OD1 3.09Å; Q349-D353 VanDerWaalsContact O-CG 3.25Å; Q349-D353 PolarHBondContact O-N 2.86Å
350	A	86	Confident	81	Confident	51 Å²	51	92.9 Å²	92.9	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-59.5	-35.9	176.2	0	0	0	0	0	112.6	K346 V354	K346-A350 WeakPolarHBondContact O-CB 3.2Å; K346-A350 PolarHBondContact O-N 2.92Å; A350-V354 WeakPolarHBondContact O-CB 3.32Å; A350-V354 VanDerWaalsContact O-CG2 3.24Å; A350-V354 WeakPolarHBondContact O-CG2 3.36Å; A350-V354 PolarHBondContact O-N 2.71Å
351	K	88.5	Confident	78.8	Confident	155 Å²	155	98.5 Å²	98.5	67%	0.674	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-39.9	173.3	-76	174.4	-178.8	-177.7	0	112.2	Q347 Q348 Q349 A355	Q347-K351 VanDerWaalsContact O-CG 3.27Å; Q347-K351 WeakPolarHBondContact O-CG 3.18Å; Q347-K351 PolarHBondContact O-N 3.47Å; Q347-K351 VanDerWaalsContact O-N 3.09Å; Q348-K351 WeakPolarHBondContact O-CB 3.2Å; Q348-K351 PolarHBondContact O-N 3.11Å; Q349-K351 VanDerWaalsContact C-N 3.26Å; Q349-K351 PolarHBondContact O-N 2.78Å; K351-A355 WeakPolarHBondContact O-CB 3.16Å; K351-A355 PolarHBondContact O-N 3Å
352	L	87.3	Confident	76.7	Confident	108 Å²	108	101 Å²	101	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-67.2	-41.4	175.6	-68.6	171.1	0	0	0	111.8	Q348 Q349 A355 S356	Q348-L352 WeakPolarHBondContact O-CG 3.41Å; Q348-L352 PolarHBondContact O-N 3.42Å; Q349-L352 CarbonylContact O-C 3.55Å; Q349-L352 WeakPolarHBondContact O-CA 3.4Å; Q349-L352 WeakPolarHBondContact O-CB 3.05Å; Q349-L352 PolarHBondContact O-N 3.29Å; L352-A355 CarbonylContact O-C 3.48Å; L352-A355 WeakPolarHBondContact O-CB 3.31Å; L352-A355 PolarHBondContact O-N 3.22Å; L352-S356 WeakPolarHBondContact O-CB 3.49Å; L352-S356 PolarHBondContact O-N 2.84Å; L352-S356 PolarHBondContact O-OG 2.94Å
353	D	82.7	Confident	74.1	Confident	72 Å²	72	107.3 Å²	107.3	39%	0.385	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-39.2	177.8	-61.8	-23.6	0	0	0	111.7	Q349 A355 S356 H357	Q349-D353 PolarHBondContact NE2-OD1 3.09Å; Q349-D353 VanDerWaalsContact O-CG 3.25Å; Q349-D353 PolarHBondContact O-N 2.86Å; D353-A355 VanDerWaalsContact C-N 3.33Å; D353-S356 WeakPolarHBondContact CA-OG 3.39Å; D353-S356 PolarHBondContact O-N 2.67Å; D353-S356 PolarHBondContact O-OG 2.83Å; D353-H357 PolarHBondContact O-CD2 2.85Å; D353-H357 PolarHBondContact O-N 2.88Å
354	V	82	Confident	71.6	Confident	88 Å²	88	114.5 Å²	114.5	53%	0.533	57%	0.571	S	S	.	*	H	α-helix	trans	-65.7	-37.6	172.5	170.8	0	0	0	0	111.3	A350 R358	A350-V354 WeakPolarHBondContact O-CB 3.32Å; A350-V354 VanDerWaalsContact O-CG2 3.24Å; A350-V354 WeakPolarHBondContact O-CG2 3.36Å; A350-V354 PolarHBondContact O-N 2.71Å; V354-R358 WeakPolarHBondContact O-CG 3.4Å; V354-R358 PolarHBondContact O-N 2.72Å
355	A	80.5	Confident	69	Low	55 Å²	55	118 Å²	118	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-68.5	-40.6	175.9	0	0	0	0	0	112.2	K351 L352 D353 R358 S359	K351-A355 WeakPolarHBondContact O-CB 3.16Å; K351-A355 PolarHBondContact O-N 3Å; L352-A355 CarbonylContact O-C 3.48Å; L352-A355 WeakPolarHBondContact O-CB 3.31Å; L352-A355 PolarHBondContact O-N 3.22Å; D353-A355 VanDerWaalsContact C-N 3.33Å; A355-R358 WeakPolarHBondContact O-CB 3.31Å; A355-R358 PolarHBondContact O-N 3.46Å; A355-S359 PolarHBondContact O-N 3Å; A355-S359 VanDerWaalsContact O-N 3.13Å; A355-S359 PolarHBondContact O-OG 2.88Å
356	S	77.1	Confident	66.3	Low	55 Å²	55	120.2 Å²	120.2	39%	0.385	60%	0.6	S	S	.	*	H	α-helix	trans	-69.2	-36.7	179.6	71.3	0	0	0	0	112.8	L352 D353 R358 S359 S360	L352-S356 WeakPolarHBondContact O-CB 3.49Å; L352-S356 PolarHBondContact O-N 2.84Å; L352-S356 PolarHBondContact O-OG 2.94Å; D353-S356 WeakPolarHBondContact CA-OG 3.39Å; D353-S356 PolarHBondContact O-N 2.67Å; D353-S356 PolarHBondContact O-OG 2.83Å; S356-R358 VanDerWaalsContact C-N 3.28Å; S356-R358 PolarHBondContact O-N 2.94Å; S356-S359 WeakPolarHBondContact CA-OG 3.47Å; S356-S359 CarbonylContact O-C 3.6Å; S356-S359 PolarHBondContact O-N 2.88Å; S356-S359 VanDerWaalsContact O-N 3.12Å; S356-S359 PolarHBondContact O-OG 3.35Å; S356-S359 VanDerWaalsContact O-OG 3.13Å; S356-S360 PolarHBondContact O-N 2.88Å; S356-S360 VanDerWaalsContact O-N 3.07Å; S356-S360 PolarHBondContact O-OG 3.44Å; S356-S360 VanDerWaalsContact O-OG 3.06Å
357	H	67.8	Low	63.7	Low	155 Å²	155	125.3 Å²	125.3	72%	0.718	62%	0.622	S	S	*	*	H	α-helix	trans	-64.9	-31.1	171	-91.3	-62.7	0	0	0	112.7	D353 S359	D353-H357 PolarHBondContact O-CD2 2.85Å; D353-H357 PolarHBondContact O-N 2.88Å; H357-S359 VanDerWaalsContact C-N 3.34Å
358	R	64.7	Low	61.1	Low	220 Å²	220	130.5 Å²	130.5	83%	0.83	64%	0.638	S	S	*	*	H	α-helix	trans	-73.5	-23.8	171.9	-74.9	-178.2	179	-175.1	0.3	113.2	V354 A355 S356	V354-R358 WeakPolarHBondContact O-CG 3.4Å; V354-R358 PolarHBondContact O-N 2.72Å; A355-R358 WeakPolarHBondContact O-CB 3.31Å; A355-R358 PolarHBondContact O-N 3.46Å; S356-R358 VanDerWaalsContact C-N 3.28Å; S356-R358 PolarHBondContact O-N 2.94Å
359	S	56.1	Low	58.5	Low	91 Å²	91	131.2 Å²	131.2	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-99.7	2.3	-179.7	65.7	0	0	0	0	114.9	A355 S356 H357 P361	A355-S359 PolarHBondContact O-N 3Å; A355-S359 VanDerWaalsContact O-N 3.13Å; A355-S359 PolarHBondContact O-OG 2.88Å; S356-S359 WeakPolarHBondContact CA-OG 3.47Å; S356-S359 CarbonylContact O-C 3.6Å; S356-S359 PolarHBondContact O-N 2.88Å; S356-S359 VanDerWaalsContact O-N 3.12Å; S356-S359 PolarHBondContact O-OG 3.35Å; S356-S359 VanDerWaalsContact O-OG 3.13Å; H357-S359 VanDerWaalsContact C-N 3.34Å; S359-P361 VanDerWaalsContact O-CD 3.32Å; S359-P361 WeakPolarHBondContact O-CD 3.46Å
360	S	47.5	Very low	56	Low	67 Å²	67	131.2 Å²	131.2	47%	0.469	66%	0.657	S	S	.	*	S	Bend	trans	-71.2	114.9	171.2	-58.5	0	0	0	0	108.8	S356 I362	S356-S360 PolarHBondContact O-N 2.88Å; S356-S360 VanDerWaalsContact O-N 3.07Å; S356-S360 PolarHBondContact O-OG 3.44Å; S356-S360 VanDerWaalsContact O-OG 3.06Å; S360-I362 PolarHBondContact O-N 2.93Å
361	P	42.8	Very low	53.4	Low	123 Å²	123	137.8 Å²	137.8	80%	0.799	68%	0.676	S	S	*	*			trans	-66.1	110	176.5	27.1	-30.4	0	0	0	107.1	S359 F363	S359-P361 VanDerWaalsContact O-CD 3.32Å; S359-P361 WeakPolarHBondContact O-CD 3.46Å; P361-F363 PolarHBondContact O-N 2.87Å
362	I	43.2	Very low	50.7	Low	145 Å²	145	135 Å²	135	74%	0.744	68%	0.676	S	S	*	*			trans	-62.3	88.4	167.1	-64.3	168.3	0	0	0	105.6	S360 W364	S360-I362 PolarHBondContact O-N 2.93Å; I362-W364 VanDerWaalsContact C-N 3.35Å; I362-W364 PolarHBondContact O-N 3.07Å
363	F	34.2	Very low	47.8	Very low	179 Å²	179	139.4 Å²	139.4	79%	0.785	69%	0.691	S	S	*	*			trans	-56.4	106.3	159.6	-161.7	-94.2	0	0	0	104.8	P361 N365	P361-F363 PolarHBondContact O-N 2.87Å; F363-N365 PolarHBondContact O-N 3.35Å
364	W	33.5	Very low	45.2	Very low	208 Å²	208	144.6 Å²	144.6	79%	0.788	72%	0.715	S	S	*	*			trans	-58.8	87.2	171.6	-75.4	84.5	0	0	0	108.3	I362 R366	I362-W364 VanDerWaalsContact C-N 3.35Å; I362-W364 PolarHBondContact O-N 3.07Å; W364-R366 HydrophobicContact CB-CB 4.34Å; W364-R366 HydrophobicContact CE3-CB 4.13Å; W364-R366 PolarHBondContact O-N 3.25Å
365	N	32	Very low	42.7	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	73%	0.725	S	S	*	*			trans	-71.9	65.3	142.4	-87	-12	0	0	0	106.8	F363 K367	F363-N365 PolarHBondContact O-N 3.35Å; N365-K367 PolarHBondContact O-N 3.4Å
366	R	33.6	Very low	40.4	Very low	200 Å²	200	152.2 Å²	152.2	76%	0.755	74%	0.743	S	S	*	*			trans	-56.4	100	154.2	177.6	173	157.5	174.3	-6.4	104.1	W364 Y368	W364-R366 HydrophobicContact CB-CB 4.34Å; W364-R366 HydrophobicContact CE3-CB 4.13Å; W364-R366 PolarHBondContact O-N 3.25Å; R366-Y368 PolarHBondContact O-N 3.08Å
367	K	32.4	Very low	37.9	Very low	196 Å²	196	160.6 Å²	160.6	85%	0.852	77%	0.766	S	S	*	*			trans	-35.8	107.1	166.2	-127.7	175.7	-179.2	179.2	0	107	N365 D369	N365-K367 PolarHBondContact O-N 3.4Å; K367-D369 PolarHBondContact O-N 3.06Å
368	Y	33.7	Very low	36.1	Very low	211 Å²	211	160.7 Å²	160.7	83%	0.827	77%	0.771	S	S	*	*			trans	-71.4	91.2	177.5	-146.2	-93.9	0	0	0	105.3	R366 S370	R366-Y368 PolarHBondContact O-N 3.08Å; Y368-S370 PolarHBondContact O-N 3.43Å
369	D	34.3	Very low	34.7	Very low	133 Å²	133	154.8 Å²	154.8	71%	0.711	76%	0.762	S	S	*	*			trans	-66.6	120.2	173.1	-168.5	7.7	0	0	0	107.8	K367 K371	K367-D369 PolarHBondContact O-N 3.06Å; D369-K371 PolarHBondContact O-N 3.5Å
370	S	36.5	Very low	33.4	Very low	99 Å²	99	157.9 Å²	157.9	69%	0.692	77%	0.77	S	S	*	*	S	Bend	trans	-76.4	57.9	-171.5	174.2	0	0	0	0	111.6	Y368	Y368-S370 PolarHBondContact O-N 3.43Å
371	K	30.7	Very low	32.8	Very low	189 Å²	189	159.5 Å²	159.5	82%	0.822	79%	0.787	S	S	*	*			trans	-120.5	55.7	160.9	-69.6	-172.4	-178.5	176.9	0	109.8	D369 K373	D369-K371 PolarHBondContact O-N 3.5Å; K371-K373 PolarHBondContact O-N 2.86Å; K371-K373 VanDerWaalsContact O-N 3.11Å
372	S	31.4	Very low	32.1	Very low	95 Å²	95	159.7 Å²	159.7	66%	0.664	78%	0.782	S	S	*	*			trans	-67.6	99.1	163	56.7	0	0	0	0	109.5
373	K	27.8	Very low	31.6	Very low	202 Å²	202	160.4 Å²	160.4	88%	0.878	79%	0.787	S	S	*	*			trans	-128.3	130.8	148.8	-86	-171.3	177.5	-179.1	0	108.9	K371	K371-K373 PolarHBondContact O-N 2.86Å; K371-K373 VanDerWaalsContact O-N 3.11Å
374	M	27.8	Very low	31.2	Very low	181 Å²	181	159.8 Å²	159.8	89%	0.892	79%	0.787	S	S	*	*			trans	91.1	86.3	159.5	-135.2	160.5	-176.1	0	0	117.5
375	V	29	Very low	31.1	Very low	123 Å²	123	160.9 Å²	160.9	75%	0.745	79%	0.791	S	S	*	*				6.1	114.9	126.9	-177.1	0	0	0	0	115.1
376	Q	32.5	Very low	30.9	Very low	180 Å²	180	161.3 Å²	161.3	84%	0.841	79%	0.793	S	S	*	*			trans	-138.9	105.2	149.9	-154.5	155.9	-1.4	0	0	108.9
377	R	24.4	Very low	30.8	Very low	230 Å²	230	159.1 Å²	159.1	87%	0.868	80%	0.796	S	S	*	*			trans	-71.1	142.2	165.5	-60.9	179.2	-171.4	-170.4	1.8	108.2
378	L	30.6	Very low	30.6	Very low	157 Å²	157	161.5 Å²	161.5	82%	0.822	80%	0.8	S	S	*	*			trans	-159.9	154.3	151.7	-96.3	153.9	0	0	0	107.4
379	P	35.2	Very low	30.6	Very low	97 Å²	97	156.5 Å²	156.5	63%	0.63	80%	0.796	S	S	*	*				-121.9	166.5	-128.5	28.3	-7.7	0	0	0	115.3
380	L	28.6	Very low	30.8	Very low	155 Å²	155	156.2 Å²	156.2	81%	0.812	80%	0.801	S	S	*	*			trans	49.8	112.5	143.1	-68.5	161.8	0	0	0	119.4
381	A	34.2	Very low	30.7	Very low	101 Å²	101	160 Å²	160	84%	0.835	81%	0.813	S	S	*	*				-147.3	108.8	125.1	0	0	0	0	0	108.8
382	N	28.2	Very low	30.7	Very low	128 Å²	128	154.7 Å²	154.7	68%	0.684	81%	0.812	S	S	*	*			trans	-66.3	130.7	161	-91.9	-16.7	0	0	0	107.6
383	D	33.8	Very low	30.8	Very low	159 Å²	159	153.3 Å²	153.3	85%	0.85	81%	0.813	S	S	*	*			trans	-137.5	108.5	141.1	-91.8	-36.1	0	0	0	108.6
384	Q	24.2	Very low	31.3	Very low	166 Å²	166	146.8 Å²	146.8	78%	0.776	79%	0.793	S	S	*	*			trans	-75.9	116.9	168	-70.8	173.5	-23.3	0	0	107.8
385	W	32.7	Very low	32.2	Very low	232 Å²	232	145.2 Å²	145.2	88%	0.879	79%	0.787	S	S	*	*			trans	-132.1	103.6	148.7	-87.2	87.4	0	0	0	108.7
386	N	27.5	Very low	32.8	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	79%	0.786	S	S	*	*			trans	-64	121.6	162.7	-87.4	-34.9	0	0	0	108.2
387	D	32.3	Very low	33.3	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	78%	0.775	S	S	*	*			trans	-137.8	127.4	149	-98.7	-35.5	0	0	0	110.6
388	R	28.2	Very low	34.5	Very low	246 Å²	246	139.5 Å²	139.5	93%	0.928	77%	0.765	S	S	*	*			trans	-83.4	119.1	179.1	-63.4	176	-173.4	-155.9	1.1	108.2
389	S	32.7	Very low	35.5	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	75%	0.746	S	S	*	*			trans	-153.9	125.5	154.2	57.3	0	0	0	0	110.5	L391	S389-L391 PolarHBondContact O-N 3.34Å
390	P	39.4	Very low	36.1	Very low	126 Å²	126	136 Å²	136	82%	0.818	74%	0.744	S	S	*	*			trans	-89.6	98.4	-178.6	33.4	-27.2	0	0	0	109.7
391	L	32.7	Very low	37.1	Very low	178 Å²	178	134.7 Å²	134.7	93%	0.932	74%	0.737	S	S	*	*			trans	-169.1	56.8	164	-97.4	139.6	0	0	0	108.5	S389 G393	S389-L391 PolarHBondContact O-N 3.34Å; L391-G393 PolarHBondContact O-N 2.81Å
392	G	31.3	Very low	38	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	72%	0.723	S	S	*	*			trans	-98.4	64.3	176.3	0	0	0	0	0	111.1	S394	G392-S394 PolarHBondContact O-N 2.83Å
393	G	34.5	Very low	38.9	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	72%	0.722	S	S	*	*			trans	-59.1	117.3	161.3	0	0	0	0	0	107.7	L391 L395	L391-G393 PolarHBondContact O-N 2.81Å; G393-L395 PolarHBondContact O-N 3.13Å
394	S	38.5	Very low	39.6	Very low	66 Å²	66	130.4 Å²	130.4	46%	0.462	70%	0.699	S	S	.	*			trans	-54	136.3	-176.6	-178.4	0	0	0	0	110.5	G392 R396 D397	G392-S394 PolarHBondContact O-N 2.83Å; S394-R396 PolarHBondContact O-N 3.41Å; S394-R396 PolarHBondContact OG-N 2.87Å; S394-D397 PolarHBondContact O-N 2.8Å
395	L	45.6	Very low	40.8	Very low	148 Å²	148	128.9 Å²	128.9	78%	0.775	69%	0.69	S	S	*	*	H	α-helix	trans	-48.1	-18.8	170.3	-99.1	103.3	0	0	0	113.5	G393 D397 V398 T399	G393-L395 PolarHBondContact O-N 3.13Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-D397 PolarHBondContact O-N 3.21Å; L395-V398 PolarHBondContact O-N 2.88Å; L395-T399 PolarHBondContact O-N 3.4Å; L395-T399 PolarHBondContact O-OG1 3.11Å
396	R	42.6	Very low	41.5	Very low	191 Å²	191	123.8 Å²	123.8	72%	0.721	68%	0.676	S	S	*	*	H	α-helix	trans	-59.7	-37.5	174.2	-71.6	-175.6	165.6	175.9	-4.9	113.5	S394 T399 D400	S394-R396 PolarHBondContact O-N 3.41Å; S394-R396 PolarHBondContact OG-N 2.87Å; R396-T399 WeakPolarHBondContact CA-OG1 3.46Å; R396-T399 PolarHBondContact O-N 3.14Å; R396-T399 PolarHBondContact O-OG1 2.95Å; R396-D400 PolarHBondContact O-N 3.03Å
397	D	41.9	Very low	42.5	Very low	115 Å²	115	123.8 Å²	123.8	62%	0.615	67%	0.671	S	S	*	*	H	α-helix	trans	-71.9	-32.4	-179.6	-73.6	-16.4	0	0	0	111.8	S394 L395 L401	S394-D397 PolarHBondContact O-N 2.8Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-D397 PolarHBondContact O-N 3.21Å; D397-L401 WeakPolarHBondContact O-CB 3.49Å; D397-L401 PolarHBondContact O-N 2.88Å
398	V	50.5	Low	43.3	Very low	107 Å²	107	122.7 Å²	122.7	65%	0.648	66%	0.664	S	S	*	*	H	α-helix	trans	-70.9	-36.6	176.1	-175.8	0	0	0	0	110.8	L395 S402	L395-V398 PolarHBondContact O-N 2.88Å; V398-S402 WeakPolarHBondContact O-CB 3.3Å; V398-S402 PolarHBondContact O-N 3.46Å
399	T	50.2	Low	44.2	Very low	69 Å²	69	117.6 Å²	117.6	42%	0.423	65%	0.651	S	S	.	*	H	α-helix	trans	-66.9	-43.7	174.7	43.5	0	0	0	0	111.8	L395 R396 L401 S402 Y403	L395-T399 PolarHBondContact O-N 3.4Å; L395-T399 PolarHBondContact O-OG1 3.11Å; R396-T399 WeakPolarHBondContact CA-OG1 3.46Å; R396-T399 PolarHBondContact O-N 3.14Å; R396-T399 PolarHBondContact O-OG1 2.95Å; T399-L401 PolarHBondContact O-N 3.24Å; T399-S402 WeakPolarHBondContact O-CB 2.99Å; T399-S402 PolarHBondContact O-N 3.34Å; T399-Y403 WeakPolarHBondContact O-CD2 3.41Å; T399-Y403 PolarHBondContact O-N 2.91Å
400	D	48.5	Very low	44.9	Very low	110 Å²	110	118.8 Å²	118.8	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-68.8	-35.5	179.1	-83	-15.3	0	0	0	112.5	R396 S402 Y403 S404	R396-D400 PolarHBondContact O-N 3.03Å; D400-S402 VanDerWaalsContact C-N 3.34Å; D400-Y403 PolarHBondContact O-N 3.05Å; D400-S404 PolarHBondContact O-N 2.58Å; D400-S404 PolarHBondContact O-OG 3.11Å
401	L	50.2	Low	44.9	Very low	128 Å²	128	121.5 Å²	121.5	67%	0.67	65%	0.647	S	S	*	*	H	α-helix	trans	-66.7	-37.3	173.3	-151.3	78.7	0	0	0	111.7	D397 T399 S404 F405	D397-L401 WeakPolarHBondContact O-CB 3.49Å; D397-L401 PolarHBondContact O-N 2.88Å; T399-L401 PolarHBondContact O-N 3.24Å; L401-S404 PolarHBondContact O-N 3.45Å; L401-S404 PolarHBondContact O-OG 3.09Å; L401-S404 VanDerWaalsContact O-OG 3.06Å; L401-F405 WeakPolarHBondContact O-CB 3.34Å; L401-F405 PolarHBondContact O-N 2.48Å
402	S	53.4	Low	45.5	Very low	78 Å²	78	123.7 Å²	123.7	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-62.4	-42.2	173.4	173.6	0	0	0	0	112.1	V398 T399 D400 H406	V398-S402 WeakPolarHBondContact O-CB 3.3Å; V398-S402 PolarHBondContact O-N 3.46Å; T399-S402 WeakPolarHBondContact O-CB 2.99Å; T399-S402 PolarHBondContact O-N 3.34Å; D400-S402 VanDerWaalsContact C-N 3.34Å; S402-H406 WeakPolarHBondContact O-CB 3.28Å; S402-H406 PolarHBondContact O-N 2.82Å; S402-H406 VanDerWaalsContact O-N 3.14Å
403	Y	46.3	Very low	46	Very low	169 Å²	169	126.1 Å²	126.1	66%	0.663	64%	0.642	S	S	*	*	H	α-helix	trans	-68	-43.4	177.5	-83.6	-74.9	0	0	0	111.8	T399 D400 H406 E407	T399-Y403 WeakPolarHBondContact O-CD2 3.41Å; T399-Y403 PolarHBondContact O-N 2.91Å; D400-Y403 PolarHBondContact O-N 3.05Å; Y403-H406 PolarHBondContact O-N 3.15Å; Y403-E407 PolarHBondContact O-N 3.22Å
404	S	49.1	Very low	46.7	Very low	52 Å²	52	130.5 Å²	130.5	36%	0.364	65%	0.645	S	S	.	*	H	α-helix	trans	-67.8	-36.6	179	67.1	0	0	0	0	113.2	D400 L401 H406 E407 L408	D400-S404 PolarHBondContact O-N 2.58Å; D400-S404 PolarHBondContact O-OG 3.11Å; L401-S404 PolarHBondContact O-N 3.45Å; L401-S404 PolarHBondContact O-OG 3.09Å; L401-S404 VanDerWaalsContact O-OG 3.06Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 3.44Å; S404-E407 PolarHBondContact O-N 2.03Å; S404-L408 WeakPolarHBondContact O-CG 3.48Å; S404-L408 PolarHBondContact O-N 2.97Å
405	F	47.8	Very low	47.1	Very low	134 Å²	134	131.2 Å²	131.2	59%	0.588	65%	0.649	S	S	*	*	H	α-helix	trans	-66.9	-35.1	174.1	-165.7	-96.6	0	0	0	111.7	L401 L408 Q409	L401-F405 WeakPolarHBondContact O-CB 3.34Å; L401-F405 PolarHBondContact O-N 2.48Å; F405-L408 PolarHBondContact O-N 3.11Å; F405-Q409 HydrophobicContact CD1-CG 4.35Å; F405-Q409 HydrophobicContact CE1-CG 4.13Å; F405-Q409 WeakPolarHBondContact O-CG 3.48Å; F405-Q409 PolarHBondContact O-N 3.01Å
406	H	47.6	Very low	47.2	Very low	125 Å²	125	130.6 Å²	130.6	58%	0.579	65%	0.645	S	S	*	*	H	α-helix	trans	-70.3	-36.7	176.4	-161.4	-77.7	0	0	0	112.5	S402 Y403 S404 L410	S402-H406 WeakPolarHBondContact O-CB 3.28Å; S402-H406 PolarHBondContact O-N 2.82Å; S402-H406 VanDerWaalsContact O-N 3.14Å; Y403-H406 PolarHBondContact O-N 3.15Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 3.44Å; H406-L410 PolarHBondContact O-N 2.82Å
407	E	49.6	Very low	47.6	Very low	152 Å²	152	131 Å²	131	71%	0.71	65%	0.647	S	S	*	*	H	α-helix	trans	-69.9	-35.9	172.6	-76.9	-161.2	160.3	0	0	112.9	Y403 S404 Q409 L410 K411	Y403-E407 PolarHBondContact O-N 3.22Å; S404-E407 PolarHBondContact O-N 2.03Å; E407-Q409 VanDerWaalsContact C-N 3.34Å; E407-Q409 PolarHBondContact O-N 2.86Å; E407-L410 PolarHBondContact O-N 2.88Å; E407-K411 PolarHBondContact O-N 2.77Å
408	L	47.9	Very low	47.7	Very low	132 Å²	132	130.9 Å²	130.9	69%	0.691	64%	0.642	S	S	*	*	H	α-helix	trans	-65.7	-34.9	176.9	-76	168.5	0	0	0	112.5	S404 F405 L410 K411	S404-L408 WeakPolarHBondContact O-CG 3.48Å; S404-L408 PolarHBondContact O-N 2.97Å; F405-L408 PolarHBondContact O-N 3.11Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-L410 PolarHBondContact O-N 3.14Å; L408-K411 PolarHBondContact O-N 2.81Å
409	Q	47.8	Very low	47.8	Very low	138 Å²	138	134.4 Å²	134.4	65%	0.645	65%	0.649	S	S	*	*	H	α-helix	trans	-66.7	-31.9	174.4	-74.7	-91	-46.6	0	0	112.7	F405 E407	F405-Q409 HydrophobicContact CD1-CG 4.35Å; F405-Q409 HydrophobicContact CE1-CG 4.13Å; F405-Q409 WeakPolarHBondContact O-CG 3.48Å; F405-Q409 PolarHBondContact O-N 3.01Å; E407-Q409 VanDerWaalsContact C-N 3.34Å; E407-Q409 PolarHBondContact O-N 2.86Å
410	L	48.2	Very low	47.8	Very low	133 Å²	133	136.8 Å²	136.8	70%	0.696	66%	0.659	S	S	*	*	H	α-helix	trans	-78.2	-17.2	-178.8	-74.6	168.2	0	0	0	113.7	H406 E407 L408 R412	H406-L410 PolarHBondContact O-N 2.82Å; E407-L410 PolarHBondContact O-N 2.88Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-L410 PolarHBondContact O-N 3.14Å; L410-R412 PolarHBondContact O-N 3.32Å
411	K	38.1	Very low	47.7	Very low	183 Å²	183	137.3 Å²	137.3	80%	0.796	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	24.2	179.6	-142.3	176.2	-171.9	178.3	0	114	E407 L408 T413	E407-K411 PolarHBondContact O-N 2.77Å; L408-K411 PolarHBondContact O-N 2.81Å; K411-T413 PolarHBondContact O-N 2.88Å; K411-T413 VanDerWaalsContact O-N 3.07Å
412	R	45	Very low	47.4	Very low	224 Å²	224	136.6 Å²	136.6	85%	0.845	66%	0.663	S	S	*	*			trans	-67.5	107.1	174.1	-165.5	173.7	-168.3	167.7	3.8	108.9	L410 E414	L410-R412 PolarHBondContact O-N 3.32Å; R412-E414 PolarHBondContact O-N 3.32Å
413	T	43.2	Very low	47.2	Very low	128 Å²	128	136.4 Å²	136.4	79%	0.785	66%	0.658	S	S	*	*			trans	-43.1	120.1	-178	41.3	0	0	0	0	112.6	K411	K411-T413 PolarHBondContact O-N 2.88Å; K411-T413 VanDerWaalsContact O-N 3.07Å
414	E	48.3	Very low	47.2	Very low	158 Å²	158	136.6 Å²	136.6	74%	0.738	66%	0.663	S	S	*	*			trans	-59.3	127.1	171.2	-66.5	-168.9	157.7	0	0	109.5	R412 L416	R412-E414 PolarHBondContact O-N 3.32Å; E414-L416 PolarHBondContact O-N 2.67Å
415	P	46.6	Very low	47.4	Very low	82 Å²	82	140.8 Å²	140.8	53%	0.532	68%	0.676	S	S	.	*			trans	-67	135.8	176.3	26.7	-32	0	0	0	110	W417 H418	P415-W417 PolarHBondContact O-N 2.78Å; P415-H418 PolarHBondContact O-N 3.22Å
416	L	48.4	Very low	47.9	Very low	135 Å²	135	140.8 Å²	140.8	71%	0.707	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.2	-22.6	-171.5	-155.4	82.2	0	0	0	115.3	E414 H418 K419	E414-L416 PolarHBondContact O-N 2.67Å; L416-H418 VanDerWaalsContact C-N 3.31Å; L416-H418 PolarHBondContact O-N 2.88Å; L416-K419 PolarHBondContact O-N 3.16Å
417	W	51.1	Low	48.7	Very low	199 Å²	199	140.9 Å²	140.9	75%	0.754	68%	0.678	S	S	*	*	H	α-helix	trans	-61.8	-29.6	-177.8	-55.1	96.8	0	0	0	114.3	P415 K419 L420	P415-W417 PolarHBondContact O-N 2.78Å; W417-K419 PolarHBondContact O-N 3.19Å; W417-L420 HydrophobicContact CE3-CD1 4.31Å; W417-L420 PolarHBondContact O-N 3.34Å; W417-L420 VanDerWaalsContact O-N 3.11Å
418	H	44.6	Very low	50.3	Low	113 Å²	113	137.7 Å²	137.7	52%	0.523	67%	0.666	S	S	.	*	H	α-helix	trans	-67.2	-21.1	178.9	-82.8	-54.4	0	0	0	113.8	P415 L416	P415-H418 PolarHBondContact O-N 3.22Å; L416-H418 VanDerWaalsContact C-N 3.31Å; L416-H418 PolarHBondContact O-N 2.88Å
419	K	51.4	Low	52	Low	181 Å²	181	131.6 Å²	131.6	79%	0.787	63%	0.634	S	S	*	*	H	α-helix	trans	-81	-24.1	172.6	-75.3	-174.5	177.5	-180	0	113.5	L416 W417	L416-K419 PolarHBondContact O-N 3.16Å; W417-K419 PolarHBondContact O-N 3.19Å
420	L	50.2	Low	53.8	Low	119 Å²	119	128.1 Å²	128.1	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-81.3	-25.2	-175.5	-74	162.8	0	0	0	112.7	W417	W417-L420 HydrophobicContact CE3-CD1 4.31Å; W417-L420 PolarHBondContact O-N 3.34Å; W417-L420 VanDerWaalsContact O-N 3.11Å
421	I	46.8	Very low	55.7	Low	121 Å²	121	128.9 Å²	128.9	62%	0.621	61%	0.612	S	S	*	*			trans	-132.4	91.7	176.9	-48.5	175	0	0	0	108.6	V423	I421-V423 HydrophobicContact CG2-CG2 3.64Å; I421-V423 PolarHBondContact O-N 3.39Å
422	P	43	Very low	58	Low	112 Å²	112	121.2 Å²	121.2	73%	0.727	58%	0.579	S	S	*	*			trans	-72.6	83.3	168.7	30.1	-31.3	0	0	0	108	K424	P422-K424 PolarHBondContact O-N 2.88Å
423	V	50.3	Low	60.1	Low	75 Å²	75	111 Å²	111	46%	0.455	54%	0.541	S	S	.	.			trans	-64.2	103.7	169.5	-179.8	0	0	0	0	106.6	L339 I421 Q425	L339-V423 HydrophobicContact CD2-CG1 4.19Å; I421-V423 HydrophobicContact CG2-CG2 3.64Å; I421-V423 PolarHBondContact O-N 3.39Å; V423-Q425 PolarHBondContact O-N 2.85Å; V423-Q425 VanDerWaalsContact O-N 3.08Å
424	K	45.4	Very low	62.2	Low	173 Å²	173	113 Å²	113	75%	0.752	53%	0.534	S	S	*	.			trans	-50.4	120	168.2	-90.7	-177.4	173.9	-179.2	0	107.7	P422 D426	P422-K424 PolarHBondContact O-N 2.88Å; K424-D426 PolarHBondContact O-N 2.88Å
425	Q	54.2	Low	64.2	Low	139 Å²	139	110.2 Å²	110.2	65%	0.65	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	10.1	-157.2	-174.7	139.4	-70.6	0	0	115.9	K346 V423	K346-Q425 VanDerWaalsContact CE-NE2 3.31Å; V423-Q425 PolarHBondContact O-N 2.85Å; V423-Q425 VanDerWaalsContact O-N 3.08Å
426	D	58	Low	66.3	Low	135 Å²	135	106.8 Å²	106.8	72%	0.722	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	7.1	-171.4	-57.7	-34.1	0	0	0	114.3	K424 D428	K424-D426 PolarHBondContact O-N 2.88Å; D426-D428 PolarHBondContact O-N 2.9Å
427	W	65.7	Low	68.3	Low	127 Å²	127	100.8 Å²	100.8	48%	0.481	47%	0.47	S	S	.	.			trans	-88.5	100.7	178.4	-65.7	100.4	0	0	0	111.5	I432	W427-I432 HydrophobicContact CB-CD1 4.36Å
428	D	82.8	Confident	70.2	Confident	85 Å²	85	96.4 Å²	96.4	46%	0.455	46%	0.46	S	S	.	.			trans	-67.5	132.9	168.4	-83.8	-51.3	0	0	0	111.1	K343 D426 E430 R431 I432	K343-D428 IonicContact NZ-OD1 3.52Å; K343-D428 PolarHBondContact NZ-OD1 2.85Å; D426-D428 PolarHBondContact O-N 2.9Å; D428-E430 PolarHBondContact O-N 2.7Å; D428-R431 HydrophobicContact CB-CB 4.23Å; D428-R431 WeakPolarHBondContact O-CB 3.42Å; D428-R431 PolarHBondContact O-N 3.01Å; D428-I432 PolarHBondContact O-N 2.78Å
429	P	83.3	Confident	72.5	Confident	3 Å²	3	93.6 Å²	93.6	2%	0.019	45%	0.453	C	S	.	.	H	α-helix	trans	-58.4	-35.4	179.4	21.8	-30.7	0	0	0	112.4	T278 V336 L339 K343 R431 I432 D433	T278-P429 HydrophobicContact CG2-CB 4.11Å; V336-P429 HydrophobicContact CG1-CB 4.01Å; L339-P429 HydrophobicContact CB-CB 4.37Å; K343-P429 HydrophobicContact CD-CG 4Å; P429-R431 PolarHBondContact O-N 2.93Å; P429-I432 PolarHBondContact O-N 3.21Å; P429-D433 PolarHBondContact O-N 3.42Å; P429-D433 VanDerWaalsContact O-N 3.16Å
430	E	85.9	Confident	74.5	Confident	65 Å²	65	86.5 Å²	86.5	30%	0.304	42%	0.422	S	S	.	.	H	α-helix	trans	-70.5	-18.5	178.2	-54.1	81.5	-178.8	0	0	113.1	T278 K343 D428 R434	T278-E430 HydrophobicContact CG2-CG 4.04Å; K343-E430 IonicContact NZ-OE1 2.67Å; K343-E430 PolarHBondContact NZ-OE1 2.66Å; K343-E430 IonicContact NZ-OE2 3.36Å; K343-E430 PolarHBondContact NZ-OE2 3.18Å; D428-E430 PolarHBondContact O-N 2.7Å; E430-R434 WeakPolarHBondContact O-CG 3.39Å; E430-R434 PolarHBondContact O-NE 2.78Å
431	R	86.7	Confident	76.5	Confident	150 Å²	150	82.1 Å²	82.1	57%	0.566	40%	0.401	S	S	*	.	H	α-helix	trans	-80.3	-37.5	174.1	-170.3	178.4	-175.9	-179.5	1.4	110.8	D428 P429 M435	D428-R431 HydrophobicContact CB-CB 4.23Å; D428-R431 WeakPolarHBondContact O-CB 3.42Å; D428-R431 PolarHBondContact O-N 3.01Å; P429-R431 PolarHBondContact O-N 2.93Å; R431-M435 PolarHBondContact O-N 3.46Å; R431-M435 VanDerWaalsContact O-N 3.14Å
432	I	87.5	Confident	78.8	Confident	22 Å²	22	81.3 Å²	81.3	11%	0.113	40%	0.397	C	S	.	.	H	α-helix	trans	-63.3	-51.3	176.1	-62	172.6	0	0	0	109.3	E332 V336 L339 W427 D428 P429 R434 M435 S436	E332-I432 HydrophobicContact CG-CG2 4.39Å; V336-I432 HydrophobicContact CG2-CB 4.2Å; V336-I432 HydrophobicContact CG2-CG2 3.87Å; L339-I432 HydrophobicContact CD1-CD1 3.28Å; W427-I432 HydrophobicContact CB-CD1 4.36Å; D428-I432 PolarHBondContact O-N 2.78Å; P429-I432 PolarHBondContact O-N 3.21Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 3.26Å; I432-M435 CarbonylContact O-C 3.57Å; I432-M435 WeakPolarHBondContact O-CA 3.18Å; I432-M435 WeakPolarHBondContact O-CB 3.18Å; I432-M435 PolarHBondContact O-N 3.28Å; I432-S436 PolarHBondContact O-N 3.31Å; I432-S436 PolarHBondContact O-OG 2.93Å
433	D	88	Confident	81.2	Confident	9 Å²	9	80.4 Å²	80.4	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-53.6	-44.8	178.1	-79.4	-22.1	0	0	0	112.5	T278 R284 P429 M435 S436 A437	T278-D433 WeakPolarHBondContact CG2-OD2 3.4Å; R284-D433 IonicContact CZ-OD1 2.93Å; R284-D433 VanDerWaalsContact CZ-OD1 3.28Å; R284-D433 IonicContact CZ-OD2 2.77Å; R284-D433 VanDerWaalsContact NH1-CG 3.28Å; R284-D433 IonicContact NH1-OD1 3.98Å; R284-D433 PolarHBondContact NH1-OD1 3.45Å; R284-D433 IonicContact NH1-OD2 3.96Å; R284-D433 PolarHBondContact NH1-OD2 3.42Å; R284-D433 IonicContact NH2-OD1 2.96Å; R284-D433 PolarHBondContact NH2-OD1 3.21Å; R284-D433 IonicContact NH2-OD2 3.28Å; P429-D433 PolarHBondContact O-N 3.42Å; P429-D433 VanDerWaalsContact O-N 3.16Å; D433-M435 VanDerWaalsContact C-N 3.32Å; D433-M435 PolarHBondContact O-N 2.85Å; D433-S436 PolarHBondContact O-N 3.07Å; D433-A437 VanDerWaalsContact O-CB 3.32Å; D433-A437 WeakPolarHBondContact O-CB 3.43Å; D433-A437 PolarHBondContact O-N 2.84Å
434	R	88.8	Confident	83.3	Confident	169 Å²	169	77.1 Å²	77.1	64%	0.638	37%	0.365	S	S	*	.	H	α-helix	trans	-63.6	-37	178.1	-79.4	-175.1	-77.2	-178.6	-3.4	112.9	E430 I432	E430-R434 WeakPolarHBondContact O-CG 3.39Å; E430-R434 PolarHBondContact O-NE 2.78Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 3.26Å
435	M	90	Very high	85.6	Confident	101 Å²	101	74 Å²	74	50%	0.498	36%	0.356	S	S	.	.	H	α-helix	trans	-71.8	-45.2	175.6	-171.6	170.5	66.6	0	0	110.6	R431 I432 D433 A437 I438 C439	R431-M435 PolarHBondContact O-N 3.46Å; R431-M435 VanDerWaalsContact O-N 3.14Å; I432-M435 CarbonylContact O-C 3.57Å; I432-M435 WeakPolarHBondContact O-CA 3.18Å; I432-M435 WeakPolarHBondContact O-CB 3.18Å; I432-M435 PolarHBondContact O-N 3.28Å; D433-M435 VanDerWaalsContact C-N 3.32Å; D433-M435 PolarHBondContact O-N 2.85Å; M435-A437 VanDerWaalsContact C-N 3.32Å; M435-A437 PolarHBondContact O-N 3.28Å; M435-I438 PolarHBondContact O-N 2.98Å; M435-I438 VanDerWaalsContact O-N 3.11Å; M435-C439 WeakPolarHBondContact O-CB 3.21Å; M435-C439 PolarHBondContact O-N 3.39Å; M435-C439 PolarHBondContact O-SG 3.01Å; M435-C439 VanDerWaalsContact O-SG 3.38Å
436	S	90.8	Very high	87.6	Confident	9 Å²	9	72 Å²	72	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-44.8	176.4	-57.5	0	0	0	0	111.7	E332 I432 D433 I438 C439 F440	E332-S436 VanDerWaalsContact CG-OG 3.3Å; E332-S436 WeakPolarHBondContact CG-OG 3.3Å; E332-S436 PolarHBondContact OE1-OG 3.44Å; I432-S436 PolarHBondContact O-N 3.31Å; I432-S436 PolarHBondContact O-OG 2.93Å; D433-S436 PolarHBondContact O-N 3.07Å; S436-I438 PolarHBondContact O-N 2.8Å; S436-I438 VanDerWaalsContact O-N 3.14Å; S436-C439 PolarHBondContact O-N 2.99Å; S436-F440 WeakPolarHBondContact O-CB 3.47Å; S436-F440 WeakPolarHBondContact O-CD2 3.1Å; S436-F440 PolarHBondContact O-N 3.01Å
437	A	90.4	Very high	89.3	Confident	10 Å²	10	67.7 Å²	67.7	8%	0.083	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-22.8	178.5	0	0	0	0	0	114.2	F274 Y275 D433 M435 P441	F274-A437 HydrophobicContact CB-CB 4.04Å; Y275-A437 HydrophobicContact CE1-CB 4.39Å; Y275-A437 HydrophobicContact CE2-CB 4.32Å; D433-A437 VanDerWaalsContact O-CB 3.32Å; D433-A437 WeakPolarHBondContact O-CB 3.43Å; D433-A437 PolarHBondContact O-N 2.84Å; M435-A437 VanDerWaalsContact C-N 3.32Å; M435-A437 PolarHBondContact O-N 3.28Å; A437-P441 WeakPolarHBondContact O-CD 3.37Å; A437-P441 WeakPolarHBondContact O-CG 3.22Å
438	I	91.6	Very high	90.7	Very high	106 Å²	106	62.4 Å²	62.4	54%	0.544	31%	0.305	S	S	.	.	H	α-helix	trans	-98.6	-47.4	177.5	-62.1	170.3	0	0	0	110.5	M435 S436 L442	M435-I438 PolarHBondContact O-N 2.98Å; M435-I438 VanDerWaalsContact O-N 3.11Å; S436-I438 PolarHBondContact O-N 2.8Å; S436-I438 VanDerWaalsContact O-N 3.14Å; I438-L442 HydrophobicContact CG2-CD1 3.71Å; I438-L442 HydrophobicContact CG2-CG 4.48Å; I438-L442 WeakPolarHBondContact O-CB 3.33Å; I438-L442 VanDerWaalsContact O-CG 3.24Å; I438-L442 WeakPolarHBondContact O-CG 3.19Å; I438-L442 PolarHBondContact O-N 3.22Å
439	C	92.5	Very high	91.2	Very high	54 Å²	54	65.8 Å²	65.8	37%	0.365	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-45.5	-174.4	-71.5	0	0	0	0	112.8	M435 S436 L442 I443	M435-C439 WeakPolarHBondContact O-CB 3.21Å; M435-C439 PolarHBondContact O-N 3.39Å; M435-C439 PolarHBondContact O-SG 3.01Å; M435-C439 VanDerWaalsContact O-SG 3.38Å; S436-C439 PolarHBondContact O-N 2.99Å; C439-L442 PolarHBondContact O-N 3.17Å; C439-I443 VanDerWaalsContact O-CG1 3.23Å; C439-I443 WeakPolarHBondContact O-CG1 3.18Å; C439-I443 PolarHBondContact O-N 3.48Å
440	F	92.7	Very high	91.7	Very high	32 Å²	32	72 Å²	72	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-50.8	-176.5	-84.8	-107.6	0	0	0	112.2	F274 F325 A328 S436 L442 I443 F444	F274-F440 HydrophobicContact CE2-CB 3.91Å; F274-F440 HydrophobicContact CE2-CD1 4.34Å; F274-F440 HydrophobicContact CE2-CD2 4.25Å; F274-F440 AromaticContact CE2-CG 3.94Å; F274-F440 HydrophobicContact CE2-CG 3.94Å; F274-F440 HydrophobicContact CZ-CB 4.38Å; F274-F440 HydrophobicContact CZ-CD1 4.02Å; F274-F440 HydrophobicContact CZ-CD2 4.02Å; F274-F440 HydrophobicContact CZ-CE1 4.24Å; F274-F440 HydrophobicContact CZ-CE2 4.24Å; F274-F440 AromaticContact CZ-CG 3.9Å; F274-F440 HydrophobicContact CZ-CG 3.9Å; F274-F440 HydrophobicContact CZ-CZ 4.34Å; F325-F440 HydrophobicContact CD1-CD1 4.45Å; A328-F440 HydrophobicContact CB-CE1 3.76Å; A328-F440 HydrophobicContact CB-CZ 4.1Å; S436-F440 WeakPolarHBondContact O-CB 3.47Å; S436-F440 WeakPolarHBondContact O-CD2 3.1Å; S436-F440 PolarHBondContact O-N 3.01Å; F440-L442 PolarHBondContact O-N 3.16Å; F440-I443 PolarHBondContact O-N 2.61Å; F440-F444 WeakPolarHBondContact O-CB 3.45Å; F440-F444 PolarHBondContact O-N 3.1Å
441	P	93.1	Very high	92.1	Very high	28 Å²	28	69.2 Å²	69.2	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-41.1	176	-26	35.8	0	0	0	113.7	W271 A437 F444 I445	W271-P441 HydrophobicContact CD2-CG 4.04Å; W271-P441 HydrophobicContact CE3-CB 4.15Å; W271-P441 HydrophobicContact CE3-CG 3.75Å; W271-P441 HydrophobicContact CH2-CB 3.96Å; W271-P441 HydrophobicContact CH2-CG 4.3Å; W271-P441 HydrophobicContact CZ3-CB 3.74Å; W271-P441 HydrophobicContact CZ3-CG 3.89Å; A437-P441 WeakPolarHBondContact O-CD 3.37Å; A437-P441 WeakPolarHBondContact O-CG 3.22Å; P441-F444 PolarHBondContact O-N 2.97Å; P441-I445 VanDerWaalsContact O-CG1 3.27Å; P441-I445 WeakPolarHBondContact O-CG1 3.42Å; P441-I445 PolarHBondContact O-N 3.44Å
442	L	93.3	Very high	92.3	Very high	104 Å²	104	65 Å²	65	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-44.5	179.5	-73.1	176.2	0	0	0	112.3	I438 C439 F440 F444 I445 L446	I438-L442 HydrophobicContact CG2-CD1 3.71Å; I438-L442 HydrophobicContact CG2-CG 4.48Å; I438-L442 WeakPolarHBondContact O-CB 3.33Å; I438-L442 VanDerWaalsContact O-CG 3.24Å; I438-L442 WeakPolarHBondContact O-CG 3.19Å; I438-L442 PolarHBondContact O-N 3.22Å; C439-L442 PolarHBondContact O-N 3.17Å; F440-L442 PolarHBondContact O-N 3.16Å; L442-F444 VanDerWaalsContact C-N 3.28Å; L442-F444 PolarHBondContact O-N 3.11Å; L442-I445 PolarHBondContact O-N 3Å; L442-L446 WeakPolarHBondContact O-CB 3.44Å; L442-L446 PolarHBondContact O-N 3.03Å
443	I	94.5	Very high	92.5	Very high	92 Å²	92	66.2 Å²	66.2	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-39	176.8	-64.9	166.6	0	0	0	110.1	F325 C439 F440 L446 F447	F325-I443 HydrophobicContact CE1-CB 4.27Å; F325-I443 HydrophobicContact CE1-CG2 3.74Å; F325-I443 HydrophobicContact CZ-CG2 3.84Å; C439-I443 VanDerWaalsContact O-CG1 3.23Å; C439-I443 WeakPolarHBondContact O-CG1 3.18Å; C439-I443 PolarHBondContact O-N 3.48Å; F440-I443 PolarHBondContact O-N 2.61Å; I443-L446 PolarHBondContact O-N 2.97Å; I443-F447 WeakPolarHBondContact O-CB 3.34Å; I443-F447 PolarHBondContact O-N 3.35Å
444	F	94.3	Very high	92.6	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-38.1	177.5	-173.6	-105.2	0	0	0	113	Y264 I267 W271 W318 F325 F440 P441 L442 L446 F447 N448	Y264-F444 AromaticContact CD1-CE1 3.6Å; Y264-F444 HydrophobicContact CD1-CE1 3.6Å; Y264-F444 AromaticContact CD1-CZ 3.85Å; Y264-F444 HydrophobicContact CD1-CZ 3.85Å; Y264-F444 AromaticContact CE1-CE1 3.53Å; Y264-F444 HydrophobicContact CE1-CE1 3.53Å; Y264-F444 AromaticContact CE1-CZ 3.83Å; Y264-F444 HydrophobicContact CE1-CZ 3.83Å; I267-F444 HydrophobicContact CD1-CE2 3.68Å; I267-F444 HydrophobicContact CD1-CZ 3.65Å; I267-F444 HydrophobicContact CG2-CD2 4.45Å; I267-F444 HydrophobicContact CG2-CE1 4.38Å; I267-F444 HydrophobicContact CG2-CE2 4.23Å; I267-F444 HydrophobicContact CG2-CZ 4.17Å; W271-F444 HydrophobicContact CH2-CB 3.84Å; W271-F444 AromaticContact CH2-CD1 3.51Å; W271-F444 HydrophobicContact CH2-CD1 3.51Å; W271-F444 HydrophobicContact CH2-CE1 4.29Å; W271-F444 AromaticContact CH2-CG 3.89Å; W271-F444 HydrophobicContact CH2-CG 3.89Å; W271-F444 HydrophobicContact CZ2-CB 3.63Å; W271-F444 AromaticContact CZ2-CD1 3.81Å; W271-F444 HydrophobicContact CZ2-CD1 3.81Å; W271-F444 AromaticContact CZ2-CG 3.74Å; W271-F444 HydrophobicContact CZ2-CG 3.74Å; W318-F444 HydrophobicContact CH2-CE1 4.44Å; W318-F444 HydrophobicContact CH2-CE2 4.19Å; W318-F444 AromaticContact CH2-CZ 3.59Å; W318-F444 HydrophobicContact CH2-CZ 3.59Å; W318-F444 HydrophobicContact CZ2-CZ 4.15Å; W318-F444 HydrophobicContact CZ3-CZ 4.36Å; F325-F444 AromaticContact CD2-CD2 3.8Å; F325-F444 HydrophobicContact CD2-CD2 3.8Å; F325-F444 HydrophobicContact CD2-CE2 4.34Å; F325-F444 HydrophobicContact CE1-CB 4.41Å; F325-F444 AromaticContact CE2-CD2 3.77Å; F325-F444 HydrophobicContact CE2-CD2 3.77Å; F325-F444 HydrophobicContact CG-CD2 4.32Å; F325-F444 HydrophobicContact CZ-CB 4.4Å; F325-F444 HydrophobicContact CZ-CD2 4.23Å; F440-F444 WeakPolarHBondContact O-CB 3.45Å; F440-F444 PolarHBondContact O-N 3.1Å; P441-F444 PolarHBondContact O-N 2.97Å; L442-F444 VanDerWaalsContact C-N 3.28Å; L442-F444 PolarHBondContact O-N 3.11Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-F447 HydrophobicContact CD2-CD1 4.29Å; F444-F447 HydrophobicContact CE2-CD1 4.24Å; F444-F447 WeakPolarHBondContact O-CB 3.47Å; F444-F447 PolarHBondContact O-N 3.3Å; F444-N448 VanDerWaalsContact CD1-ND2 3.28Å; F444-N448 WeakPolarHBondContact CD1-ND2 3.21Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.35Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.44Å; F444-N448 PolarHBondContact O-N 3.38Å; F444-N448 PolarHBondContact O-ND2 2.91Å
445	I	93.9	Very high	92.6	Very high	109 Å²	109	65.4 Å²	65.4	56%	0.559	33%	0.328	S	S	*	.	H	α-helix	trans	-62.4	-43.6	173.1	-69.7	166.8	0	0	0	110.2	P441 L442 N448 F449	P441-I445 VanDerWaalsContact O-CG1 3.27Å; P441-I445 WeakPolarHBondContact O-CG1 3.42Å; P441-I445 PolarHBondContact O-N 3.44Å; L442-I445 PolarHBondContact O-N 3Å; I445-N448 WeakPolarHBondContact O-CB 3.12Å; I445-N448 PolarHBondContact O-N 3.34Å; I445-F449 PolarHBondContact O-N 2.91Å
446	L	95	Very high	92.4	Very high	97 Å²	97	62.7 Å²	62.7	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-45.7	176	-175.7	66.3	0	0	0	111.4	L442 I443 F444 N448 F449 F450	L442-L446 WeakPolarHBondContact O-CB 3.44Å; L442-L446 PolarHBondContact O-N 3.03Å; I443-L446 PolarHBondContact O-N 2.97Å; F444-L446 VanDerWaalsContact C-N 3.33Å; L446-N448 VanDerWaalsContact C-N 3.29Å; L446-N448 PolarHBondContact O-N 3.08Å; L446-F449 PolarHBondContact O-N 3.13Å; L446-F450 HydrophobicContact CD1-CD2 4.06Å; L446-F450 HydrophobicContact CD1-CE2 3.48Å; L446-F450 VanDerWaalsContact CD1-CE2 3.48Å; L446-F450 HydrophobicContact CD1-CZ 4.34Å; L446-F450 HydrophobicContact CD2-CE2 4.24Å; L446-F450 HydrophobicContact CG-CD2 3.95Å; L446-F450 HydrophobicContact CG-CE2 3.65Å; L446-F450 WeakPolarHBondContact O-CD2 3.44Å; L446-F450 PolarHBondContact O-N 2.79Å; L446-F450 VanDerWaalsContact O-N 3.12Å
447	F	95.4	Very high	91.8	Very high	43 Å²	43	64.1 Å²	64.1	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-55.8	-45.1	174	169.1	-102.4	0	0	0	111.6	W318 S321 F325 I443 F444 F449 F450 Y451	W318-F447 AromaticContact CE3-CE1 3.65Å; W318-F447 HydrophobicContact CE3-CE1 3.65Å; W318-F447 HydrophobicContact CE3-CZ 4.3Å; W318-F447 HydrophobicContact CZ3-CD1 4.2Å; W318-F447 AromaticContact CZ3-CE1 3.61Å; W318-F447 HydrophobicContact CZ3-CE1 3.61Å; S321-F447 VanDerWaalsContact OG-CE1 3.31Å; S321-F447 WeakPolarHBondContact OG-CE1 3.39Å; S321-F447 WeakPolarHBondContact OG-CZ 3.48Å; F325-F447 HydrophobicContact CE2-CB 4.48Å; F325-F447 HydrophobicContact CE2-CD1 4.44Å; F325-F447 HydrophobicContact CE2-CG 4.37Å; F325-F447 HydrophobicContact CZ-CB 4.44Å; I443-F447 WeakPolarHBondContact O-CB 3.34Å; I443-F447 PolarHBondContact O-N 3.35Å; F444-F447 HydrophobicContact CD2-CD1 4.29Å; F444-F447 HydrophobicContact CE2-CD1 4.24Å; F444-F447 WeakPolarHBondContact O-CB 3.47Å; F444-F447 PolarHBondContact O-N 3.3Å; F447-F449 PolarHBondContact O-N 3.11Å; F447-F450 PolarHBondContact O-N 3.11Å; F447-Y451 AromaticContact CZ-CD2 3.99Å; F447-Y451 HydrophobicContact CZ-CD2 3.99Å; F447-Y451 HydrophobicContact CZ-CG 4.33Å; F447-Y451 VanDerWaalsContact O-CB 3.23Å; F447-Y451 WeakPolarHBondContact O-CB 3.47Å; F447-Y451 PolarHBondContact O-N 2.8Å
448	N	94.1	Very high	90.7	Very high	16 Å²	16	68 Å²	68	9%	0.086	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-44.6	177	-86.8	-72.2	0	0	0	112.9	Y264 W318 F444 I445 L446 F450 Y451 W452	Y264-N448 PolarHBondContact OH-OD1 3.09Å; W318-N448 WeakPolarHBondContact CH2-OD1 3.5Å; W318-N448 WeakPolarHBondContact CZ3-OD1 3.45Å; F444-N448 VanDerWaalsContact CD1-ND2 3.28Å; F444-N448 WeakPolarHBondContact CD1-ND2 3.21Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.35Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.44Å; F444-N448 PolarHBondContact O-N 3.38Å; F444-N448 PolarHBondContact O-ND2 2.91Å; I445-N448 WeakPolarHBondContact O-CB 3.12Å; I445-N448 PolarHBondContact O-N 3.34Å; L446-N448 VanDerWaalsContact C-N 3.29Å; L446-N448 PolarHBondContact O-N 3.08Å; N448-F450 VanDerWaalsContact C-N 3.31Å; N448-F450 PolarHBondContact O-N 2.96Å; N448-Y451 PolarHBondContact O-N 2.76Å; N448-W452 WeakPolarHBondContact O-CB 3.38Å; N448-W452 PolarHBondContact O-N 2.81Å; N448-W452 PolarHBondContact OD1-NE1 3.42Å
449	F	93.3	Very high	89.4	Confident	157 Å²	157	64.1 Å²	64.1	69%	0.689	33%	0.329	S	S	*	.	H	α-helix	trans	-57.2	-45.9	177.2	-177.4	-96.6	0	0	0	111.5	I445 L446 F447 G453	I445-F449 PolarHBondContact O-N 2.91Å; L446-F449 PolarHBondContact O-N 3.13Å; F447-F449 PolarHBondContact O-N 3.11Å; F449-G453 WeakPolarHBondContact O-CA 3.28Å; F449-G453 PolarHBondContact O-N 3.21Å
450	F	93.2	Very high	87.9	Confident	132 Å²	132	69.9 Å²	69.9	58%	0.579	34%	0.343	S	S	*	.	H	α-helix	trans	-68.9	-43.5	176.5	-74.5	-64.9	0	0	0	113.1	L446 F447 N448 Y454	L446-F450 HydrophobicContact CD1-CD2 4.06Å; L446-F450 HydrophobicContact CD1-CE2 3.48Å; L446-F450 VanDerWaalsContact CD1-CE2 3.48Å; L446-F450 HydrophobicContact CD1-CZ 4.34Å; L446-F450 HydrophobicContact CD2-CE2 4.24Å; L446-F450 HydrophobicContact CG-CD2 3.95Å; L446-F450 HydrophobicContact CG-CE2 3.65Å; L446-F450 WeakPolarHBondContact O-CD2 3.44Å; L446-F450 PolarHBondContact O-N 2.79Å; L446-F450 VanDerWaalsContact O-N 3.12Å; F447-F450 PolarHBondContact O-N 3.11Å; N448-F450 VanDerWaalsContact C-N 3.31Å; N448-F450 PolarHBondContact O-N 2.96Å; F450-Y454 WeakPolarHBondContact O-CB 3.34Å; F450-Y454 PolarHBondContact O-N 3.49Å
451	Y	94.2	Very high	86.2	Confident	8 Å²	8	73.9 Å²	73.9	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-56.4	-179.2	177.2	-88.6	0	0	0	111.1	Y260 A314 W318 F447 N448 Y454 Y455	Y260-Y451 AromaticContact CE1-CE1 3.8Å; Y260-Y451 HydrophobicContact CE1-CE1 3.8Å; Y260-Y451 AromaticContact CE1-CZ 3.99Å; Y260-Y451 PolarHBondContact OH-OH 2.8Å; A314-Y451 WeakPolarHBondContact O-CE2 3.47Å; A314-Y451 PolarHBondContact O-OH 2.84Å; W318-Y451 HydrophobicContact CB-CE2 3.96Å; W318-Y451 HydrophobicContact CE3-CD1 4.06Å; W318-Y451 HydrophobicContact CE3-CD2 4.4Å; W318-Y451 HydrophobicContact CE3-CE1 4.18Å; W318-Y451 HydrophobicContact CE3-CE2 4.48Å; W318-Y451 HydrophobicContact CE3-CG 4.21Å; W318-Y451 HydrophobicContact CZ3-CD1 4.45Å; F447-Y451 AromaticContact CZ-CD2 3.99Å; F447-Y451 HydrophobicContact CZ-CD2 3.99Å; F447-Y451 HydrophobicContact CZ-CG 4.33Å; F447-Y451 VanDerWaalsContact O-CB 3.23Å; F447-Y451 WeakPolarHBondContact O-CB 3.47Å; F447-Y451 PolarHBondContact O-N 2.8Å; N448-Y451 PolarHBondContact O-N 2.76Å; Y451-Y454 PolarHBondContact O-N 3.2Å; Y451-Y455 HydrophobicContact CD1-CD2 4.38Å; Y451-Y455 AromaticContact CD2-CD2 3.73Å; Y451-Y455 HydrophobicContact CD2-CD2 3.73Å; Y451-Y455 AromaticContact CD2-CE2 3.66Å; Y451-Y455 HydrophobicContact CD2-CE2 3.66Å; Y451-Y455 HydrophobicContact CE1-CD2 4.16Å; Y451-Y455 AromaticContact CE2-CD2 3.49Å; Y451-Y455 HydrophobicContact CE2-CD2 3.49Å; Y451-Y455 VanDerWaalsContact CE2-CD2 3.49Å; Y451-Y455 AromaticContact CE2-CE2 3.4Å; Y451-Y455 HydrophobicContact CE2-CE2 3.4Å; Y451-Y455 VanDerWaalsContact CE2-CE2 3.4Å; Y451-Y455 HydrophobicContact CG-CD2 4.15Å; Y451-Y455 HydrophobicContact CG-CE2 4.49Å; Y451-Y455 AromaticContact CZ-CD2 3.68Å; Y451-Y455 VanDerWaalsContact O-CD2 3.27Å; Y451-Y455 WeakPolarHBondContact O-CD2 3.36Å; Y451-Y455 PolarHBondContact O-N 2.98Å
452	W	92.2	Very high	84.4	Confident	62 Å²	62	77.2 Å²	77.2	24%	0.235	38%	0.375	C	S	.	.	H	α-helix	trans	-69.6	-38.4	-179.2	-68.3	104.2	0	0	0	111.6	M180 I256 Y260 Y264 N448 Y454 V456	M180-W452 HydrophobicContact CE-CE3 3.99Å; M180-W452 HydrophobicContact CE-CH2 3.89Å; M180-W452 HydrophobicContact CE-CZ3 3.26Å; M180-W452 HydrophobicContact SD-CZ3 4.2Å; I256-W452 HydrophobicContact CD1-CH2 4.21Å; I256-W452 HydrophobicContact CD1-CZ3 4.36Å; I256-W452 HydrophobicContact CG1-CH2 4.44Å; Y260-W452 AromaticContact CD1-CH2 3.89Å; Y260-W452 HydrophobicContact CD1-CH2 3.89Å; Y260-W452 AromaticContact CD1-CZ2 3.55Å; Y260-W452 HydrophobicContact CD1-CZ2 3.55Å; Y260-W452 AromaticContact CE1-CH2 3.99Å; Y260-W452 HydrophobicContact CE1-CH2 3.99Å; Y260-W452 AromaticContact CE1-CZ2 3.84Å; Y260-W452 HydrophobicContact CE1-CZ2 3.84Å; Y260-W452 HydrophobicContact CG-CH2 4.24Å; Y260-W452 HydrophobicContact CG-CZ2 4.2Å; Y264-W452 PolarHBondContact OH-NE1 3.35Å; Y264-W452 VanDerWaalsContact OH-NE1 3.16Å; N448-W452 WeakPolarHBondContact O-CB 3.38Å; N448-W452 PolarHBondContact O-N 2.81Å; N448-W452 PolarHBondContact OD1-NE1 3.42Å; W452-Y454 VanDerWaalsContact C-N 3.32Å; W452-Y454 PolarHBondContact O-N 2.77Å; W452-V456 HydrophobicContact CE3-CG2 3.68Å; W452-V456 HydrophobicContact CZ3-CG2 4.24Å; W452-V456 VanDerWaalsContact O-CB 3.26Å; W452-V456 WeakPolarHBondContact O-CB 3.1Å; W452-V456 PolarHBondContact O-N 2.88Å
453	G	91.2	Very high	82.5	Confident	46 Å²	46	75.5 Å²	75.5	47%	0.474	37%	0.367	S	S	.	.	H	α-helix	trans	-58.7	-42.1	174.8	0	0	0	0	0	112.6	F449 G457	F449-G453 WeakPolarHBondContact O-CA 3.28Å; F449-G453 PolarHBondContact O-N 3.21Å; G453-G457 VanDerWaalsContact O-CA 3.23Å; G453-G457 WeakPolarHBondContact O-CA 3.46Å; G453-G457 PolarHBondContact O-N 3.28Å; G453-G457 VanDerWaalsContact O-N 3.11Å
454	Y	90.2	Very high	80.3	Confident	136 Å²	136	77.2 Å²	77.2	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-71.3	-55.3	177.6	-177.8	-101	0	0	0	112	F450 Y451 W452 Y458	F450-Y454 WeakPolarHBondContact O-CB 3.34Å; F450-Y454 PolarHBondContact O-N 3.49Å; Y451-Y454 PolarHBondContact O-N 3.2Å; W452-Y454 VanDerWaalsContact C-N 3.32Å; W452-Y454 PolarHBondContact O-N 2.77Å; Y454-Y458 WeakPolarHBondContact O-CB 3.37Å; Y454-Y458 PolarHBondContact O-N 3.13Å; Y454-Y458 VanDerWaalsContact O-N 3.09Å
455	Y	89.1	Confident	77.8	Confident	25 Å²	25	84.6 Å²	84.6	10%	0.098	41%	0.407	C	S	.	.	H	α-helix	trans	-74.3	-39.6	-171.8	-73.2	-67.9	0	0	0	113.9	R177 A314 I317 Y451 S459	R177-Y455 HydrophobicContact CG-CD1 4.39Å; A314-Y455 HydrophobicContact CB-CD1 3.52Å; A314-Y455 HydrophobicContact CB-CD2 4.06Å; A314-Y455 HydrophobicContact CB-CE1 3.3Å; A314-Y455 HydrophobicContact CB-CE2 3.88Å; A314-Y455 HydrophobicContact CB-CG 3.91Å; A314-Y455 VanDerWaalsContact CB-CZ 3.5Å; I317-Y455 WeakPolarHBondContact CD1-OH 3.2Å; Y451-Y455 HydrophobicContact CD1-CD2 4.38Å; Y451-Y455 AromaticContact CD2-CD2 3.73Å; Y451-Y455 HydrophobicContact CD2-CD2 3.73Å; Y451-Y455 AromaticContact CD2-CE2 3.66Å; Y451-Y455 HydrophobicContact CD2-CE2 3.66Å; Y451-Y455 HydrophobicContact CE1-CD2 4.16Å; Y451-Y455 AromaticContact CE2-CD2 3.49Å; Y451-Y455 HydrophobicContact CE2-CD2 3.49Å; Y451-Y455 VanDerWaalsContact CE2-CD2 3.49Å; Y451-Y455 AromaticContact CE2-CE2 3.4Å; Y451-Y455 HydrophobicContact CE2-CE2 3.4Å; Y451-Y455 VanDerWaalsContact CE2-CE2 3.4Å; Y451-Y455 HydrophobicContact CG-CD2 4.15Å; Y451-Y455 HydrophobicContact CG-CE2 4.49Å; Y451-Y455 AromaticContact CZ-CD2 3.68Å; Y451-Y455 VanDerWaalsContact O-CD2 3.27Å; Y451-Y455 WeakPolarHBondContact O-CD2 3.36Å; Y451-Y455 PolarHBondContact O-N 2.98Å; Y455-S459 PolarHBondContact O-N 3.17Å
456	V	85.1	Confident	75.4	Confident	45 Å²	45	86.5 Å²	86.5	27%	0.273	41%	0.411	S	S	.	.	H	α-helix	trans	-84.1	-39.6	178	-179.1	0	0	0	0	111.6	M180 W452 Y458 S459 R460	M180-V456 HydrophobicContact CE-CG2 4.47Å; M180-V456 HydrophobicContact SD-CG2 3.42Å; M180-V456 WeakPolarHBondContact SD-CG2 3.06Å; W452-V456 HydrophobicContact CE3-CG2 3.68Å; W452-V456 HydrophobicContact CZ3-CG2 4.24Å; W452-V456 VanDerWaalsContact O-CB 3.26Å; W452-V456 WeakPolarHBondContact O-CB 3.1Å; W452-V456 PolarHBondContact O-N 2.88Å; V456-Y458 VanDerWaalsContact C-N 3.34Å; V456-S459 PolarHBondContact O-N 3.38Å; V456-S459 PolarHBondContact O-OG 2.68Å; V456-R460 PolarHBondContact O-N 3.24Å
457	G	78.7	Confident	72.8	Confident	39 Å²	39	86.3 Å²	86.3	40%	0.402	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-41.5	179.6	0	0	0	0	0	111.8	G453 R460 F461	G453-G457 VanDerWaalsContact O-CA 3.23Å; G453-G457 WeakPolarHBondContact O-CA 3.46Å; G453-G457 PolarHBondContact O-N 3.28Å; G453-G457 VanDerWaalsContact O-N 3.11Å; G457-R460 PolarHBondContact O-N 3.29Å; G457-F461 PolarHBondContact O-N 3.49Å
458	Y	68.2	Low	70	Confident	92 Å²	92	89.1 Å²	89.1	36%	0.361	45%	0.448	S	S	.	.	H	α-helix	trans	-68.2	-38.9	176.8	-167	-74.2	0	0	0	112.4	R177 Y454 V456 R460 F461 M462	R177-Y458 VanDerWaalsContact NH1-CE1 3.3Å; R177-Y458 VanDerWaalsContact NH2-CD1 3.31Å; Y454-Y458 WeakPolarHBondContact O-CB 3.37Å; Y454-Y458 PolarHBondContact O-N 3.13Å; Y454-Y458 VanDerWaalsContact O-N 3.09Å; V456-Y458 VanDerWaalsContact C-N 3.34Å; Y458-R460 PolarHBondContact O-N 3.48Å; Y458-F461 PolarHBondContact O-N 3.14Å; Y458-M462 HydrophobicContact CD1-CG 3.98Å; Y458-M462 HydrophobicContact CE1-CG 3.5Å; Y458-M462 VanDerWaalsContact CE1-CG 3.5Å; Y458-M462 HydrophobicContact CE1-SD 3.94Å; Y458-M462 PolarHBondContact O-N 2.93Å
459	S	62.9	Low	67.1	Low	24 Å²	24	99.7 Å²	99.7	17%	0.168	50%	0.496	C	S	.	.	H	α-helix	trans	-59.6	-38.4	178.9	75.7	0	0	0	0	111.5	Y455 V456 D463	Y455-S459 PolarHBondContact O-N 3.17Å; V456-S459 PolarHBondContact O-N 3.38Å; V456-S459 PolarHBondContact O-OG 2.68Å; S459-D463 PolarHBondContact O-N 3.45Å
460	R	60.7	Low	65.8	Low	175 Å²	175	96.9 Å²	96.9	66%	0.66	49%	0.486	S	S	*	.	H	α-helix	trans	-67.9	-33.3	174	-71.3	-171.7	-178.6	-171.7	1.2	113.4	V456 G457 Y458 M462 D463 I464	V456-R460 PolarHBondContact O-N 3.24Å; G457-R460 PolarHBondContact O-N 3.29Å; Y458-R460 PolarHBondContact O-N 3.48Å; R460-M462 VanDerWaalsContact C-N 3.35Å; R460-D463 WeakPolarHBondContact O-CB 3.46Å; R460-D463 PolarHBondContact O-N 3.05Å; R460-I464 WeakPolarHBondContact O-CG1 3.38Å; R460-I464 PolarHBondContact O-N 3.15Å
461	F	57.2	Low	64.4	Low	115 Å²	115	95 Å²	95	50%	0.504	48%	0.481	S	S	.	.	H	α-helix	trans	-68.3	-34.8	179.8	-171.3	-98.4	0	0	0	112.3	G457 Y458 D463 I464	G457-F461 PolarHBondContact O-N 3.49Å; Y458-F461 PolarHBondContact O-N 3.14Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-I464 PolarHBondContact O-N 2.92Å
462	M	55.2	Low	62.7	Low	98 Å²	98	99.8 Å²	99.8	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-66.5	-34	172.9	-68.7	-68	-78.2	0	0	112.2	Y458 R460 I464 K465	Y458-M462 HydrophobicContact CD1-CG 3.98Å; Y458-M462 HydrophobicContact CE1-CG 3.5Å; Y458-M462 VanDerWaalsContact CE1-CG 3.5Å; Y458-M462 HydrophobicContact CE1-SD 3.94Å; Y458-M462 PolarHBondContact O-N 2.93Å; R460-M462 VanDerWaalsContact C-N 3.35Å; M462-I464 PolarHBondContact O-N 3.18Å; M462-K465 PolarHBondContact O-N 3.35Å
463	D	53	Low	61	Low	69 Å²	69	102.1 Å²	102.1	37%	0.369	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-22.2	174.3	-68.9	-23.5	0	0	0	112.5	K249 S459 R460 F461	K249-D463 IonicContact NZ-OD2 2.7Å; K249-D463 PolarHBondContact NZ-OD2 3.35Å; S459-D463 PolarHBondContact O-N 3.45Å; R460-D463 WeakPolarHBondContact O-CB 3.46Å; R460-D463 PolarHBondContact O-N 3.05Å; F461-D463 VanDerWaalsContact C-N 3.32Å
464	I	50.4	Low	59.1	Low	128 Å²	128	105.6 Å²	105.6	66%	0.656	53%	0.525	S	S	*	.	H	α-helix	trans	-84.4	-27.5	-178.7	-64.5	168.1	0	0	0	112.6	R460 F461 M462 K466	R460-I464 WeakPolarHBondContact O-CG1 3.38Å; R460-I464 PolarHBondContact O-N 3.15Å; F461-I464 PolarHBondContact O-N 2.92Å; M462-I464 PolarHBondContact O-N 3.18Å; I464-K466 PolarHBondContact O-N 3.39Å
465	K	40.8	Very low	57	Low	161 Å²	161	103.5 Å²	103.5	70%	0.7	53%	0.525	S	S	*	.			trans	-77.9	53	170	-76.6	-170.8	175.8	-174.7	0	111	M462 P467	M462-K465 PolarHBondContact O-N 3.35Å; K465-P467 WeakPolarHBondContact O-CD 3.31Å
466	K	42.5	Very low	54.7	Low	148 Å²	148	109.1 Å²	109.1	64%	0.643	56%	0.555	S	S	*	*			trans	-74.8	119.6	155.9	-75.1	-174.9	175.6	-162.9	0	106.9	I464 A468	I464-K466 PolarHBondContact O-N 3.39Å; K466-A468 PolarHBondContact O-N 3.47Å; K466-A468 VanDerWaalsContact O-N 3.14Å
467	P	42.1	Very low	52.4	Low	94 Å²	94	114.1 Å²	114.1	61%	0.61	58%	0.577	S	S	*	*			trans	-61	118.2	157.9	26.2	-28.4	0	0	0	106.3	K465 H469	K465-P467 WeakPolarHBondContact O-CD 3.31Å; P467-H469 PolarHBondContact O-N 3.31Å
468	A	35.6	Very low	50.2	Low	102 Å²	102	120.3 Å²	120.3	84%	0.843	59%	0.592	S	S	*	*			trans	-65	98	156.5	0	0	0	0	0	105.2	K466	K466-A468 PolarHBondContact O-N 3.47Å; K466-A468 VanDerWaalsContact O-N 3.14Å
469	H	33.5	Very low	48.5	Very low	238 Å²	238	122.9 Å²	122.9	100%	1.102	61%	0.613	S	S	*	*			trans	-83.2	0	160.7	-80.4	-60.5	0	0	0	108.5	P467	P467-H469 PolarHBondContact O-N 3.31Å

Retrieved 469 of 469 residues in 1753.2 ms (Link to these results)

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