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6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2

Synthesis and degradation of fructose 2,6-bisphosphate.

AlphaFold DB , UniProt , Accession A0A087WRG0, Species MOUSE (Mus musculus, Mouse), Gene Pfkfb2, Length 533 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	32.7	Very low	29.2	Very low	236 Å²	236	158.4 Å²	158.4	100%	1.163	87%	0.868	S	S	*	*				0	86.4	0	-70	174.7	165.5	0	0	105.7
2	S	30.6	Very low	28.8	Very low	114 Å²	114	154.7 Å²	154.7	80%	0.797	86%	0.859	S	S	*	*				85.7	118.1	111.1	57.3	0	0	0	0	111.8
3	E	31.6	Very low	28.5	Very low	193 Å²	193	154.9 Å²	154.9	90%	0.902	86%	0.858	S	S	*	*			cis	-158.5	160.5	2.1	-106.8	176.5	173	0	0	108
4	N	28.9	Very low	28.3	Very low	162 Å²	162	151.1 Å²	151.1	87%	0.866	85%	0.847	S	S	*	*			trans	-64.9	160.3	-172.7	-74.4	-26.4	0	0	0	115
5	S	30	Very low	28	Very low	116 Å²	116	148.6 Å²	148.6	81%	0.811	84%	0.844	S	S	*	*				-177.7	159.9	60.1	47.2	0	0	0	0	113.4
6	T	28.6	Very low	27.9	Very low	137 Å²	137	153.8 Å²	153.8	84%	0.84	85%	0.848	S	S	*	*			trans	-73.2	146.3	-166.2	41.2	0	0	0	0	117.3
7	F	26.5	Very low	27.8	Very low	209 Å²	209	155.8 Å²	155.8	92%	0.917	85%	0.846	S	S	*	*			trans	-123.8	146.9	164.9	-122.7	-95.2	0	0	0	110.4
8	S	25.5	Very low	27.7	Very low	107 Å²	107	154.1 Å²	154.1	75%	0.748	84%	0.844	S	S	*	*			trans	-138	156.2	173.1	-67.6	0	0	0	0	109.9
9	P	34.4	Very low	27.6	Very low	115 Å²	115	156.3 Å²	156.3	75%	0.747	85%	0.848	S	S	*	*			trans	-110.1	150.8	-144.2	37.7	-28	0	0	0	113.7
10	E	25.8	Very low	27.6	Very low	202 Å²	202	152.6 Å²	152.6	94%	0.944	84%	0.839	S	S	*	*			trans	-127.6	138.1	162.2	-80.2	-168.8	165.5	0	0	111.6
11	D	26.5	Very low	27.6	Very low	151 Å²	151	150.4 Å²	150.4	81%	0.807	84%	0.835	S	S	*	*			trans	-81	147.5	-165.6	-82	-55.8	0	0	0	115.8
12	C	24.6	Very low	27.4	Very low	114 Å²	114	145.8 Å²	145.8	77%	0.77	82%	0.815	S	S	*	*			trans	13	115.3	137.5	-71.3	0	0	0	0	121.7
13	N	24.7	Very low	27.3	Very low	158 Å²	158	147.9 Å²	147.9	85%	0.845	82%	0.816	S	S	*	*				80.5	129.8	113.4	-130.4	2.7	0	0	0	123
14	S	26.6	Very low	27.1	Very low	101 Å²	101	149.7 Å²	149.7	71%	0.706	82%	0.815	S	S	*	*			trans	82.4	107.7	147.8	173.3	0	0	0	0	121.5
15	S	23.8	Very low	27.3	Very low	114 Å²	114	152.3 Å²	152.3	80%	0.797	81%	0.813	S	S	*	*				175.2	143.7	105.8	49.9	0	0	0	0	113.8
16	Y	26.4	Very low	27.4	Very low	231 Å²	231	151.2 Å²	151.2	91%	0.906	81%	0.811	S	S	*	*			trans	-54.3	139.6	179.3	-100.8	-111.5	0	0	0	115.4
17	K	25	Very low	27.8	Very low	189 Å²	189	147.8 Å²	147.8	82%	0.822	80%	0.803	S	S	*	*			trans	-139.3	135.5	152.5	-80.8	-173.9	179.6	173.8	0	110.6
18	P	27.2	Very low	28.8	Very low	125 Å²	125	144.9 Å²	144.9	81%	0.812	79%	0.79	S	S	*	*			trans	-76.6	132.9	178.7	31.2	-30.9	0	0	0	110.3	A20	P18-A20 PolarHBondContact O-N 3.5Å
19	H	25.8	Very low	30.5	Very low	195 Å²	195	143.2 Å²	143.2	90%	0.903	78%	0.775	S	S	*	*			trans	-68	101.3	172.1	-94.7	-72.8	0	0	0	110.3	S21	H19-S21 PolarHBondContact O-N 3.28Å
20	A	27.9	Very low	32.2	Very low	82 Å²	82	140 Å²	140	68%	0.678	76%	0.755	S	S	*	*			trans	-75.7	108.5	162.5	0	0	0	0	0	109	P18 N22	P18-A20 PolarHBondContact O-N 3.5Å; A20-N22 PolarHBondContact O-N 2.99Å
21	S	27	Very low	34.6	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	71%	0.712	S	S	*	*			trans	-73	88	173	47.1	0	0	0	0	110.5	H19 L23	H19-S21 PolarHBondContact O-N 3.28Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.37Å
22	N	28.5	Very low	37.1	Very low	139 Å²	139	129.7 Å²	129.7	74%	0.743	70%	0.697	S	S	*	*			trans	-73.2	80.1	170.1	-91.6	-37.5	0	0	0	111.1	A20 R24	A20-N22 PolarHBondContact O-N 2.99Å; N22-R24 VanDerWaalsContact C-N 3.34Å; N22-R24 PolarHBondContact O-N 3.48Å
23	L	28.2	Very low	39.3	Very low	157 Å²	157	124.5 Å²	124.5	82%	0.822	66%	0.662	S	S	*	*			trans	-82.3	82.8	158.5	-94.9	133.9	0	0	0	108.8	S21 R25	S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.37Å; L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.07Å
24	R	28.3	Very low	41.9	Very low	231 Å²	231	117.4 Å²	117.4	87%	0.872	63%	0.625	S	S	*	*			trans	-67.7	90.5	164.7	-77.8	-175.5	177.7	-172.2	0.2	108.6	N22 A26	N22-R24 VanDerWaalsContact C-N 3.34Å; N22-R24 PolarHBondContact O-N 3.48Å; R24-A26 PolarHBondContact O-N 2.73Å
25	R	31.5	Very low	44.3	Very low	217 Å²	217	120 Å²	120	82%	0.819	62%	0.62	S	S	*	*			trans	-54.3	132.7	163.7	-94.9	176.8	167.1	172.9	-3.4	108.7	L23 G27	L23-R25 VanDerWaalsContact C-N 3.29Å; L23-R25 PolarHBondContact O-N 3.07Å; R25-G27 PolarHBondContact O-N 3.37Å
26	A	32	Very low	46.8	Very low	93 Å²	93	117.6 Å²	117.6	77%	0.769	60%	0.598	S	S	*	*			trans	-44.4	126.4	170.6	0	0	0	0	0	110.1	R24 K28	R24-A26 PolarHBondContact O-N 2.73Å; A26-K28 PolarHBondContact O-N 3.27Å
27	G	37.2	Very low	49.2	Very low	66 Å²	66	107.2 Å²	107.2	68%	0.68	56%	0.558	S	S	*	*			trans	-58.5	108.7	-169.8	0	0	0	0	0	111.8	R25 T29	R25-G27 PolarHBondContact O-N 3.37Å; G27-T29 PolarHBondContact O-N 3.26Å
28	K	47.9	Very low	51.7	Low	148 Å²	148	104.9 Å²	104.9	64%	0.643	56%	0.555	S	S	*	*			trans	-67.1	119.2	169.2	-70.6	-174.2	176.7	-172.2	0	108	A26 C30	A26-K28 PolarHBondContact O-N 3.27Å; K28-C30 PolarHBondContact O-N 2.78Å
29	T	61.9	Low	54.5	Low	71 Å²	71	101.1 Å²	101.1	44%	0.436	53%	0.531	S	S	.	.			trans	-65.3	97.7	169.3	46.3	0	0	0	0	108.2	G27	G27-T29 PolarHBondContact O-N 3.26Å
30	C	70.4	Confident	57.8	Low	49 Å²	49	93.6 Å²	93.6	33%	0.331	50%	0.5	S	S	.	.			trans	-126	152.4	-179	57.3	0	0	0	0	110	K28	K28-C30 PolarHBondContact O-N 2.78Å
31	S	76	Confident	61.2	Low	4 Å²	4	89.7 Å²	89.7	3%	0.028	47%	0.468	C	S	.	.			trans	-67.3	164.3	174.9	72.5	0	0	0	0	110.6	A33 S34 Y35 I67 G68	S31-A33 VanDerWaalsContact C-N 3.28Å; S31-A33 PolarHBondContact O-N 3.48Å; S31-S34 PolarHBondContact O-N 3.33Å; S31-S34 PolarHBondContact OG-N 3.02Å; S31-Y35 WeakPolarHBondContact O-CB 3.48Å; S31-Y35 PolarHBondContact O-N 2.64Å; S31-I67 WeakPolarHBondContact CB-O 3.3Å; S31-I67 PolarHBondContact OG-O 3.07Å; S31-G68 WeakPolarHBondContact OG-CA 3.36Å; S31-G68 PolarHBondContact OG-O 2.94Å
32	W	79.2	Confident	64.6	Low	131 Å²	131	84.6 Å²	84.6	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-56.1	-42.3	176	177.1	-108	0	0	0	112.9	S34 Y35 M36	W32-S34 PolarHBondContact O-N 2.97Å; W32-Y35 HydrophobicContact CE3-CD1 4.33Å; W32-Y35 HydrophobicContact CZ3-CD1 4.28Å; W32-Y35 PolarHBondContact O-N 3.08Å; W32-M36 HydrophobicContact CD2-CE 4.37Å; W32-M36 HydrophobicContact CE3-CE 4.42Å; W32-M36 HydrophobicContact CH2-CE 3.19Å; W32-M36 HydrophobicContact CZ2-CE 3.07Å; W32-M36 HydrophobicContact CZ3-CE 3.88Å; W32-M36 WeakPolarHBondContact O-CG 3.36Å; W32-M36 PolarHBondContact O-N 2.85Å; W32-M36 VanDerWaalsContact O-N 3.12Å
33	A	70.9	Confident	67.9	Low	5 Å²	5	78 Å²	78	4%	0.041	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-39.8	178.4	0	0	0	0	0	112.3	S31 M36 T37 I67 V69 Y235	S31-A33 VanDerWaalsContact C-N 3.28Å; S31-A33 PolarHBondContact O-N 3.48Å; A33-M36 PolarHBondContact O-N 2.77Å; A33-T37 PolarHBondContact O-N 2.8Å; A33-T37 PolarHBondContact O-OG1 3.29Å; A33-I67 HydrophobicContact CB-CB 4.48Å; A33-I67 HydrophobicContact CB-CD1 3.78Å; A33-I67 HydrophobicContact CB-CG1 4.11Å; A33-V69 HydrophobicContact CB-CG2 3.55Å; A33-Y235 HydrophobicContact CB-CE1 4.2Å
34	S	77.4	Confident	71.3	Confident	10 Å²	10	70.5 Å²	70.5	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-69.2	-37.8	175.9	-178.4	0	0	0	0	112.4	S31 W32 M36 T37 G68 Q125	S31-S34 PolarHBondContact O-N 3.33Å; S31-S34 PolarHBondContact OG-N 3.02Å; W32-S34 PolarHBondContact O-N 2.97Å; S34-M36 VanDerWaalsContact C-N 3.26Å; S34-M36 PolarHBondContact O-N 3.36Å; S34-T37 PolarHBondContact O-N 2.87Å; S34-T37 VanDerWaalsContact O-N 3.1Å; S34-G68 WeakPolarHBondContact CB-O 3.39Å; S34-Q125 VanDerWaalsContact OG-CD 3.29Å; S34-Q125 PolarHBondContact OG-NE2 2.79Å; S34-Q125 PolarHBondContact OG-OE1 2.64Å
35	Y	76.8	Confident	74.7	Confident	154 Å²	154	59.5 Å²	59.5	60%	0.604	32%	0.316	S	S	*	.	H	α-helix	trans	-60	-36.4	174.5	178.3	-102.2	0	0	0	112.3	S31 W32 T37	S31-Y35 WeakPolarHBondContact O-CB 3.48Å; S31-Y35 PolarHBondContact O-N 2.64Å; W32-Y35 HydrophobicContact CE3-CD1 4.33Å; W32-Y35 HydrophobicContact CZ3-CD1 4.28Å; W32-Y35 PolarHBondContact O-N 3.08Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.19Å
36	M	77.2	Confident	77.8	Confident	65 Å²	65	49.2 Å²	49.2	32%	0.32	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.2	177.7	-71.7	-65	-179.8	0	0	114.2	W32 A33 S34 N38 Y235	W32-M36 HydrophobicContact CD2-CE 4.37Å; W32-M36 HydrophobicContact CE3-CE 4.42Å; W32-M36 HydrophobicContact CH2-CE 3.19Å; W32-M36 HydrophobicContact CZ2-CE 3.07Å; W32-M36 HydrophobicContact CZ3-CE 3.88Å; W32-M36 WeakPolarHBondContact O-CG 3.36Å; W32-M36 PolarHBondContact O-N 2.85Å; W32-M36 VanDerWaalsContact O-N 3.12Å; A33-M36 PolarHBondContact O-N 2.77Å; S34-M36 VanDerWaalsContact C-N 3.26Å; S34-M36 PolarHBondContact O-N 3.36Å; M36-N38 PolarHBondContact O-N 3.04Å; M36-Y235 HydrophobicContact CB-CD1 3.54Å; M36-Y235 HydrophobicContact CB-CE1 4.05Å; M36-Y235 HydrophobicContact CB-CG 4.02Å; M36-Y235 HydrophobicContact CG-CD1 4.18Å; M36-Y235 HydrophobicContact CG-CE1 4.43Å; M36-Y235 HydrophobicContact CG-CG 4.4Å
37	T	77.8	Confident	81	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.08	24%	0.24	C	C	.	.			trans	-92.4	93	-178.4	-55.5	0	0	0	0	109.9	A33 S34 Y35 Q125 I236	A33-T37 PolarHBondContact O-N 2.8Å; A33-T37 PolarHBondContact O-OG1 3.29Å; S34-T37 PolarHBondContact O-N 2.87Å; S34-T37 VanDerWaalsContact O-N 3.1Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.19Å; T37-Q125 HydrophobicContact CG2-CB 4.12Å; T37-I236 HydrophobicContact CG2-CG2 4.49Å
38	N	76.4	Confident	83.8	Confident	139 Å²	139	42 Å²	42	74%	0.743	21%	0.21	S	C	*	.			trans	-79.6	-42.5	-172	-69.2	-25	0	0	0	114.6	M36	M36-N38 PolarHBondContact O-N 3.04Å
39	S	87	Confident	85.9	Confident	46 Å²	46	35.3 Å²	35.3	32%	0.322	18%	0.182	S	C	.	.	S	Bend	trans	-121.6	140.6	-179.9	-54.9	0	0	0	0	109.4	T41	S39-T41 PolarHBondContact O-N 2.97Å; S39-T41 PolarHBondContact O-OG1 3.43Å
40	P	95	Very high	87.2	Confident	38 Å²	38	32.4 Å²	32.4	25%	0.247	16%	0.164	C	C	.	.			trans	-55	139	175.6	-23.4	32.8	0	0	0	111.5	F119 Q125 F151 K152	P40-F119 HydrophobicContact CB-CB 4.19Å; P40-F119 HydrophobicContact CB-CD1 3.66Å; P40-F119 HydrophobicContact CB-CD2 3.93Å; P40-F119 HydrophobicContact CB-CE1 3.87Å; P40-F119 HydrophobicContact CB-CE2 4.11Å; P40-F119 HydrophobicContact CB-CG 3.68Å; P40-F119 HydrophobicContact CB-CZ 4.06Å; P40-F119 HydrophobicContact CG-CB 4.36Å; P40-F119 HydrophobicContact CG-CG 4.38Å; P40-Q125 VanDerWaalsContact CA-O 3.28Å; P40-Q125 WeakPolarHBondContact CA-O 3.21Å; P40-F151 HydrophobicContact CB-CD1 4.03Å; P40-F151 HydrophobicContact CB-CE1 4.44Å; P40-F151 HydrophobicContact CG-CD1 4.35Å; P40-K152 PolarHBondContact O-N 3.04Å
41	T	98.2	Very high	88.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.2	-176	-60.7	0	0	0	0	110.7	S39 I43 F119 Q125 I126 A127 K152 F154	S39-T41 PolarHBondContact O-N 2.97Å; S39-T41 PolarHBondContact O-OG1 3.43Å; T41-I43 HydrophobicContact CG2-CG1 4.47Å; T41-F119 WeakPolarHBondContact O-CZ 3.13Å; T41-Q125 PolarHBondContact N-O 2.9Å; T41-I126 WeakPolarHBondContact O-CA 3.31Å; T41-A127 PolarHBondContact O-N 3.31Å; T41-A127 VanDerWaalsContact O-N 3.1Å; T41-K152 HydrophobicContact CG2-CB 4.31Å; T41-F154 HydrophobicContact CG2-CB 4.28Å
42	L	98.7	Very high	88.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.4	171.6	-177.1	59	0	0	0	109.5	V44 L112 V115 A127 F129 I142 F145 K152 V153 F154	L42-V44 HydrophobicContact CD2-CG2 4.12Å; L42-V44 HydrophobicContact CG-CG2 3.83Å; L42-L112 HydrophobicContact CD2-CD2 4.33Å; L42-V115 HydrophobicContact CD1-CG1 3.88Å; L42-V115 HydrophobicContact CD1-CG2 4.37Å; L42-A127 HydrophobicContact CD1-CB 3.89Å; L42-F129 HydrophobicContact CD1-CB 3.94Å; L42-I142 HydrophobicContact CD2-CG2 3.62Å; L42-F145 HydrophobicContact CD2-CD1 4.47Å; L42-K152 PolarHBondContact N-O 3Å; L42-V153 WeakPolarHBondContact O-CA 3.41Å; L42-F154 PolarHBondContact O-N 3.25Å
43	I	98.8	Very high	89.5	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.3	170.7	-59.8	178.8	0	0	0	108.1	T41 M45 L60 L64 I126 A127 V128 F129 F154 V156 I240	T41-I43 HydrophobicContact CG2-CG1 4.47Å; I43-M45 HydrophobicContact CG2-SD 4.25Å; I43-L60 HydrophobicContact CD1-CD2 3.77Å; I43-L64 HydrophobicContact CD1-CD1 4.31Å; I43-I126 HydrophobicContact CD1-CG2 3.55Å; I43-I126 HydrophobicContact CG1-CG2 3.82Å; I43-A127 PolarHBondContact N-O 2.89Å; I43-V128 HydrophobicContact CB-CG2 4.25Å; I43-V128 HydrophobicContact CD1-CG2 4.25Å; I43-V128 HydrophobicContact CG2-CG1 4.39Å; I43-V128 CarbonylContact O-C 3.55Å; I43-V128 WeakPolarHBondContact O-CA 3.39Å; I43-F129 PolarHBondContact O-N 3.04Å; I43-F154 CarbonylContact C-O 3.57Å; I43-F154 VanDerWaalsContact CA-O 3.25Å; I43-F154 WeakPolarHBondContact CA-O 3.45Å; I43-V156 HydrophobicContact CG2-CG2 3.77Å; I43-I240 HydrophobicContact CD1-CD1 3.51Å; I43-I240 HydrophobicContact CD1-CG1 4.27Å; I43-I240 HydrophobicContact CG1-CD1 4.29Å
44	V	98.8	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.4	-176.8	-178.1	0	0	0	0	109.5	L42 N133 I142 V153 F154 F155 V156	L42-V44 HydrophobicContact CD2-CG2 4.12Å; L42-V44 HydrophobicContact CG-CG2 3.83Å; V44-N133 HydrophobicContact CG1-CB 4.32Å; V44-N133 WeakPolarHBondContact CG1-ND2 3.39Å; V44-I142 HydrophobicContact CG1-CD1 3.95Å; V44-I142 HydrophobicContact CG2-CG2 3.74Å; V44-V153 HydrophobicContact CG2-CG1 3.87Å; V44-F154 PolarHBondContact N-O 2.8Å; V44-F155 HydrophobicContact CB-CD1 3.51Å; V44-F155 HydrophobicContact CB-CE1 3.76Å; V44-F155 HydrophobicContact CB-CG 4.42Å; V44-F155 HydrophobicContact CG1-CD1 3.72Å; V44-F155 HydrophobicContact CG1-CE1 3.76Å; V44-F155 HydrophobicContact CG2-CD1 4.31Å; V44-F155 HydrophobicContact CG2-CE1 4.16Å; V44-F155 WeakPolarHBondContact O-CA 3.39Å; V44-V156 PolarHBondContact O-N 3.36Å
45	M	98.6	Very high	91	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.3	177.4	-55	-55.9	-60.3	0	0	110.5	I43 K53 V56 S57 V128 F129 D130 N133 V156	I43-M45 HydrophobicContact CG2-SD 4.25Å; M45-K53 HydrophobicContact CB-CB 4.37Å; M45-K53 HydrophobicContact CB-CD 4.12Å; M45-K53 HydrophobicContact CB-CG 4.46Å; M45-K53 HydrophobicContact CE-CB 4.31Å; M45-V56 HydrophobicContact CE-CB 4.04Å; M45-V56 HydrophobicContact CE-CG1 3.86Å; M45-S57 VanDerWaalsContact CG-OG 3.27Å; M45-S57 WeakPolarHBondContact CG-OG 3.4Å; M45-V128 HydrophobicContact CG-CG1 4.11Å; M45-V128 HydrophobicContact SD-CG1 4.09Å; M45-F129 PolarHBondContact N-O 2.85Å; M45-F129 VanDerWaalsContact N-O 3.07Å; M45-D130 HydrophobicContact CG-CB 4.33Å; M45-N133 WeakPolarHBondContact O-CB 3.01Å; M45-N133 PolarHBondContact O-ND2 3.02Å; M45-V156 CarbonylContact C-O 3.51Å; M45-V156 WeakPolarHBondContact CA-O 3.47Å; M45-V156 HydrophobicContact CE-CB 3.93Å; M45-V156 HydrophobicContact CE-CG1 3.71Å; M45-V156 HydrophobicContact SD-CB 3.85Å; M45-V156 HydrophobicContact SD-CG1 4.25Å; M45-V156 HydrophobicContact SD-CG2 4.49Å
46	I	98.6	Very high	91.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.5	174.9	-56.9	163.6	0	0	0	109.8	T132 N133 R139 F155 V156 E157 S158 Y203 L206	I46-T132 CarbonylContact C-O 3.54Å; I46-T132 WeakPolarHBondContact CA-O 3.45Å; I46-N133 HydrophobicContact CG1-CB 4.14Å; I46-R139 VanDerWaalsContact CD1-CD 3.44Å; I46-F155 HydrophobicContact CD1-CB 3.85Å; I46-F155 HydrophobicContact CD1-CD1 3.52Å; I46-F155 HydrophobicContact CD1-CE1 4.36Å; I46-F155 HydrophobicContact CD1-CG 3.97Å; I46-F155 HydrophobicContact CG1-CD1 4.16Å; I46-V156 PolarHBondContact N-O 3.25Å; I46-E157 HydrophobicContact CB-CB 3.91Å; I46-E157 HydrophobicContact CB-CG 3.89Å; I46-E157 HydrophobicContact CG2-CB 4.36Å; I46-E157 HydrophobicContact CG2-CG 3.81Å; I46-E157 WeakPolarHBondContact O-CA 3.34Å; I46-S158 PolarHBondContact O-N 3.47Å; I46-Y203 HydrophobicContact CG2-CE2 4.34Å; I46-L206 HydrophobicContact CD1-CD1 3.71Å; I46-L206 HydrophobicContact CD1-CD2 3.82Å; I46-L206 HydrophobicContact CD1-CG 3.75Å
47	G	97.2	Very high	92.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	141.6	167.8	166.1	0	0	0	0	0	113	K53 T132	G47-K53 WeakPolarHBondContact O-CE 3.38Å; G47-K53 PolarHBondContact O-NZ 3.28Å; G47-T132 PolarHBondContact N-O 3.25Å; G47-T132 WeakPolarHBondContact O-CA 3.35Å
48	L	96.2	Very high	93.4	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.047	13%	0.126	C	C	.	.			trans	-62.4	158.8	179.4	-64.1	176.1	0	0	0	112.4	R51 K53 T134 K200 Y203	L48-R51 HydrophobicContact CB-CG 4.42Å; L48-R51 WeakPolarHBondContact O-CB 3.37Å; L48-R51 WeakPolarHBondContact O-CD 3.46Å; L48-K53 PolarHBondContact O-NZ 3.27Å; L48-T134 HydrophobicContact CD2-CG2 4.31Å; L48-K200 HydrophobicContact CD1-CG 3.79Å; L48-K200 HydrophobicContact CD2-CG 4.23Å; L48-Y203 HydrophobicContact CD1-CD1 4.09Å; L48-Y203 HydrophobicContact CD1-CE1 4.28Å; L48-Y203 HydrophobicContact CD2-CD1 3.88Å; L48-Y203 HydrophobicContact CD2-CE1 4.48Å; L48-Y203 HydrophobicContact CD2-CG 4.05Å; L48-Y203 HydrophobicContact CG-CD1 3.85Å; L48-Y203 HydrophobicContact CG-CE1 4Å; L48-Y203 HydrophobicContact CG-CG 4.44Å
49	P	93.1	Very high	94.2	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.045	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	151.2	173.1	-23.3	33.5	0	0	0	112.7	R51 T132 F192 I196 Y199	P49-R51 VanDerWaalsContact C-N 3.29Å; P49-R51 WeakPolarHBondContact O-CD 3.2Å; P49-R51 PolarHBondContact O-N 2.64Å; P49-R51 PolarHBondContact O-NH1 2.96Å; P49-T132 HydrophobicContact CG-CG2 4.29Å; P49-F192 HydrophobicContact CB-CE1 3.68Å; P49-F192 HydrophobicContact CB-CZ 3.6Å; P49-I196 HydrophobicContact CB-CG1 3.94Å; P49-I196 HydrophobicContact CG-CG1 4.25Å; P49-Y199 HydrophobicContact CG-CD2 3.6Å; P49-Y199 HydrophobicContact CG-CE2 3.94Å; P49-Y199 HydrophobicContact CG-CG 4.26Å
50	A	89.5	Confident	94.6	Very high	9 Å²	9	14.2 Å²	14.2	7%	0.074	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	25.2	-177	0	0	0	0	0	116.5	N169 I170 F192	A50-N169 HydrophobicContact CB-CB 4.22Å; A50-N169 PolarHBondContact O-ND2 3.31Å; A50-I170 HydrophobicContact CB-CD1 4.47Å; A50-I170 HydrophobicContact CB-CG1 3.68Å; A50-F192 HydrophobicContact CB-CD1 4.44Å; A50-F192 HydrophobicContact CB-CE1 3.6Å; A50-F192 HydrophobicContact CB-CZ 4.32Å
51	R	91.2	Very high	94.7	Very high	12 Å²	12	13 Å²	13	5%	0.045	7%	0.07	C	C	.	.	S	Bend	trans	-102.7	37.4	172.2	-78.7	54.6	-179.8	-173.9	2.1	112	L48 P49 K53 S158 C160	L48-R51 HydrophobicContact CB-CG 4.42Å; L48-R51 WeakPolarHBondContact O-CB 3.37Å; L48-R51 WeakPolarHBondContact O-CD 3.46Å; P49-R51 VanDerWaalsContact C-N 3.29Å; P49-R51 WeakPolarHBondContact O-CD 3.2Å; P49-R51 PolarHBondContact O-N 2.64Å; P49-R51 PolarHBondContact O-NH1 2.96Å; R51-K53 PolarHBondContact O-N 3.29Å; R51-S158 WeakPolarHBondContact O-CB 3.45Å; R51-S158 PolarHBondContact O-OG 3.15Å; R51-C160 HydrophobicContact CG-CB 4.06Å; R51-C160 PolarHBondContact NE-O 3.12Å
52	G	88.6	Confident	94.7	Very high	25 Å²	25	14 Å²	14	26%	0.258	7%	0.074	S	C	.	.	S	Bend	trans	63.6	5.4	174.9	0	0	0	0	0	118.2	T54 Y55 V56	G52-T54 PolarHBondContact O-N 2.66Å; G52-Y55 WeakPolarHBondContact O-CA 3.33Å; G52-Y55 VanDerWaalsContact O-CB 3.29Å; G52-Y55 WeakPolarHBondContact O-CB 3.47Å; G52-Y55 PolarHBondContact O-N 3.18Å; G52-V56 WeakPolarHBondContact O-CG2 3.4Å; G52-V56 PolarHBondContact O-N 3.13Å
53	K	92.8	Very high	94.6	Very high	14 Å²	14	14 Å²	14	6%	0.061	7%	0.074	C	C	.	.	H	α-helix	trans	-52.2	-49.9	-177.1	-64.8	-171.6	-59.5	-73.5	0	114.2	M45 G47 L48 R51 Y55 V56 S57 A131	M45-K53 HydrophobicContact CB-CB 4.37Å; M45-K53 HydrophobicContact CB-CD 4.12Å; M45-K53 HydrophobicContact CB-CG 4.46Å; M45-K53 HydrophobicContact CE-CB 4.31Å; G47-K53 WeakPolarHBondContact O-CE 3.38Å; G47-K53 PolarHBondContact O-NZ 3.28Å; L48-K53 PolarHBondContact O-NZ 3.27Å; R51-K53 PolarHBondContact O-N 3.29Å; K53-Y55 VanDerWaalsContact C-N 3.32Å; K53-Y55 PolarHBondContact O-N 2.83Å; K53-V56 PolarHBondContact O-N 3.22Å; K53-S57 WeakPolarHBondContact O-CB 3.33Å; K53-S57 PolarHBondContact O-N 2.92Å; K53-S57 PolarHBondContact O-OG 3.33Å; K53-A131 VanDerWaalsContact CD-O 3.32Å; K53-A131 WeakPolarHBondContact CD-O 2.98Å; K53-A131 WeakPolarHBondContact CE-O 3.43Å
54	T	91.1	Very high	94.5	Very high	25 Å²	25	14 Å²	14	15%	0.153	7%	0.074	C	C	.	.	H	α-helix	trans	-67.4	-34	179.3	-52.1	0	0	0	0	112.1	G52 K58 D130 Y430	G52-T54 PolarHBondContact O-N 2.66Å; T54-K58 WeakPolarHBondContact O-CG 3.13Å; T54-K58 PolarHBondContact O-N 3.12Å; T54-D130 VanDerWaalsContact CA-OD2 3.26Å; T54-D130 WeakPolarHBondContact CA-OD2 3.44Å; T54-D130 VanDerWaalsContact CB-OD2 3.25Å; T54-D130 WeakPolarHBondContact CB-OD2 3.48Å; T54-D130 WeakPolarHBondContact CG2-OD2 3.27Å; T54-D130 PolarHBondContact OG1-OD2 2.91Å; T54-Y430 HydrophobicContact CG2-CD1 4.23Å; T54-Y430 HydrophobicContact CG2-CE1 3.58Å
55	Y	89.7	Confident	94.4	Very high	39 Å²	39	17 Å²	17	15%	0.153	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-55	172.5	172.9	-87.8	0	0	0	110.1	G52 K53 S57 K58 K59 V249 A429	G52-Y55 WeakPolarHBondContact O-CA 3.33Å; G52-Y55 VanDerWaalsContact O-CB 3.29Å; G52-Y55 WeakPolarHBondContact O-CB 3.47Å; G52-Y55 PolarHBondContact O-N 3.18Å; K53-Y55 VanDerWaalsContact C-N 3.32Å; K53-Y55 PolarHBondContact O-N 2.83Å; Y55-S57 VanDerWaalsContact C-N 3.32Å; Y55-S57 PolarHBondContact O-N 3.36Å; Y55-K58 PolarHBondContact O-N 2.84Å; Y55-K59 HydrophobicContact CE1-CD 3.76Å; Y55-K59 WeakPolarHBondContact O-CB 3.21Å; Y55-K59 PolarHBondContact O-N 3.45Å; Y55-K59 PolarHBondContact OH-NZ 3.48Å; Y55-V249 HydrophobicContact CD1-CG1 4.39Å; Y55-V249 HydrophobicContact CE1-CG1 3.97Å; Y55-A429 VanDerWaalsContact CD2-O 3.22Å; Y55-A429 WeakPolarHBondContact CD2-O 3.22Å
56	V	92.8	Very high	94.4	Very high	16 Å²	16	17.6 Å²	17.6	10%	0.097	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-44.7	178.9	173.7	0	0	0	0	110.9	M45 G52 K53 K58 K59 L60 V156 L244	M45-V56 HydrophobicContact CE-CB 4.04Å; M45-V56 HydrophobicContact CE-CG1 3.86Å; G52-V56 WeakPolarHBondContact O-CG2 3.4Å; G52-V56 PolarHBondContact O-N 3.13Å; K53-V56 PolarHBondContact O-N 3.22Å; V56-K58 PolarHBondContact O-N 3.46Å; V56-K59 PolarHBondContact O-N 3.49Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 PolarHBondContact O-N 3.03Å; V56-V156 HydrophobicContact CG1-CG1 4.35Å; V56-L244 HydrophobicContact CG1-CD2 3.46Å; V56-L244 VanDerWaalsContact CG1-CD2 3.46Å
57	S	95.1	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.4	-52.8	180	-59	0	0	0	0	111.7	M45 K53 Y55 T61	M45-S57 VanDerWaalsContact CG-OG 3.27Å; M45-S57 WeakPolarHBondContact CG-OG 3.4Å; K53-S57 WeakPolarHBondContact O-CB 3.33Å; K53-S57 PolarHBondContact O-N 2.92Å; K53-S57 PolarHBondContact O-OG 3.33Å; Y55-S57 VanDerWaalsContact C-N 3.32Å; Y55-S57 PolarHBondContact O-N 3.36Å; S57-T61 WeakPolarHBondContact O-CB 3.19Å; S57-T61 PolarHBondContact O-N 3.32Å; S57-T61 PolarHBondContact O-OG1 2.88Å
58	K	93.4	Very high	94	Very high	91 Å²	91	19.1 Å²	19.1	40%	0.396	11%	0.106	S	C	.	.	H	α-helix	trans	-65.3	-43.9	-179.5	-72.4	-167.4	-179	-176.6	0	112.1	T54 Y55 V56 T61 R62 Y430	T54-K58 WeakPolarHBondContact O-CG 3.13Å; T54-K58 PolarHBondContact O-N 3.12Å; Y55-K58 PolarHBondContact O-N 2.84Å; V56-K58 PolarHBondContact O-N 3.46Å; K58-T61 PolarHBondContact O-N 2.98Å; K58-R62 WeakPolarHBondContact O-CB 3.45Å; K58-R62 PolarHBondContact O-N 3.24Å; K58-Y430 HydrophobicContact CD-CD1 3.9Å
59	K	94.1	Very high	94	Very high	12 Å²	12	18.7 Å²	18.7	5%	0.052	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-42.9	-177.6	-148.2	-172.8	178.4	175.3	0	111.7	Y55 V56 R62 Y63 Y243 I247 E383	Y55-K59 HydrophobicContact CE1-CD 3.76Å; Y55-K59 WeakPolarHBondContact O-CB 3.21Å; Y55-K59 PolarHBondContact O-N 3.45Å; Y55-K59 PolarHBondContact OH-NZ 3.48Å; V56-K59 PolarHBondContact O-N 3.49Å; K59-R62 PolarHBondContact O-N 3.48Å; K59-Y63 PolarHBondContact O-N 3.48Å; K59-Y243 WeakPolarHBondContact CG-OH 3.27Å; K59-Y243 PolarHBondContact O-OH 2.98Å; K59-I247 HydrophobicContact CD-CG2 4.28Å; K59-E383 WeakPolarHBondContact CE-OE1 3.49Å; K59-E383 WeakPolarHBondContact CE-OE2 3.37Å; K59-E383 IonicContact NZ-OE1 3.07Å; K59-E383 IonicContact NZ-OE2 3.62Å; K59-E383 PolarHBondContact NZ-OE2 2.71Å
60	L	96	Very high	94.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-44.8	175	-178.4	63.3	0	0	0	111.4	I43 V56 R62 Y63 L64 I240 Y243	I43-L60 HydrophobicContact CD1-CD2 3.77Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 PolarHBondContact O-N 3.03Å; L60-R62 PolarHBondContact O-N 2.96Å; L60-Y63 HydrophobicContact CD1-CD1 4.34Å; L60-Y63 PolarHBondContact O-N 2.89Å; L60-L64 HydrophobicContact CD1-CD1 4.11Å; L60-L64 HydrophobicContact CD1-CG 4.25Å; L60-L64 HydrophobicContact CD2-CD1 4.5Å; L60-L64 HydrophobicContact CG-CD1 3.82Å; L60-L64 HydrophobicContact CG-CG 4.39Å; L60-L64 WeakPolarHBondContact O-CB 3.45Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-L64 PolarHBondContact O-N 3.36Å; L60-I240 HydrophobicContact CD1-CB 4.45Å; L60-I240 HydrophobicContact CD1-CG1 4.18Å; L60-I240 HydrophobicContact CD1-CG2 4.07Å; L60-I240 HydrophobicContact CD2-CG2 3.88Å; L60-Y243 HydrophobicContact CB-CE1 4.48Å; L60-Y243 HydrophobicContact CD1-CD1 3.65Å; L60-Y243 HydrophobicContact CD1-CE1 4.25Å; L60-Y243 HydrophobicContact CD1-CG 4.39Å
61	T	97.3	Very high	94.6	Very high	14 Å²	14	20.5 Å²	20.5	9%	0.086	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-44.3	175.1	-68.5	0	0	0	0	112.2	S57 K58 Y63 L64 N65 T71 V73 V128	S57-T61 WeakPolarHBondContact O-CB 3.19Å; S57-T61 PolarHBondContact O-N 3.32Å; S57-T61 PolarHBondContact O-OG1 2.88Å; K58-T61 PolarHBondContact O-N 2.98Å; T61-Y63 PolarHBondContact O-N 3.5Å; T61-L64 PolarHBondContact O-N 3.07Å; T61-N65 WeakPolarHBondContact CG2-ND2 3.26Å; T61-N65 WeakPolarHBondContact O-CB 3.45Å; T61-N65 PolarHBondContact O-N 2.81Å; T61-N65 PolarHBondContact O-ND2 2.95Å; T61-T71 HydrophobicContact CG2-CG2 3.83Å; T61-T71 WeakPolarHBondContact CG2-O 3.49Å; T61-T71 WeakPolarHBondContact OG1-CG2 3.37Å; T61-V73 HydrophobicContact CG2-CG2 4.04Å; T61-V73 WeakPolarHBondContact OG1-CG2 3.36Å; T61-V128 WeakPolarHBondContact OG1-CG2 3.32Å
62	R	96.3	Very high	94.9	Very high	19 Å²	19	23.7 Å²	23.7	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-46.9	175.6	-177.3	175	76.1	166.6	-0.6	111.6	K58 K59 L60 W66 E383 Y403 F404 D406	K58-R62 WeakPolarHBondContact O-CB 3.45Å; K58-R62 PolarHBondContact O-N 3.24Å; K59-R62 PolarHBondContact O-N 3.48Å; L60-R62 PolarHBondContact O-N 2.96Å; R62-W66 VanDerWaalsContact O-CB 3.27Å; R62-W66 WeakPolarHBondContact O-CB 3.31Å; R62-W66 PolarHBondContact O-N 3.37Å; R62-E383 IonicContact NH2-OE1 3.71Å; R62-Y403 WeakPolarHBondContact CD-O 3.35Å; R62-Y403 WeakPolarHBondContact CG-O 3.46Å; R62-Y403 PolarHBondContact NE-O 3.19Å; R62-F404 PolarHBondContact NH1-O 2.86Å; R62-D406 HydrophobicContact CG-CB 4.03Å; R62-D406 WeakPolarHBondContact CG-OD1 3.37Å
63	Y	97.3	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-49.7	175.6	166.9	-112.8	0	0	0	112.7	K59 L60 T61 N65 W66 I67 Y243 E376 M380 Y403	K59-Y63 PolarHBondContact O-N 3.48Å; L60-Y63 HydrophobicContact CD1-CD1 4.34Å; L60-Y63 PolarHBondContact O-N 2.89Å; T61-Y63 PolarHBondContact O-N 3.5Å; Y63-N65 PolarHBondContact O-N 3.32Å; Y63-W66 PolarHBondContact O-N 2.89Å; Y63-I67 HydrophobicContact CD2-CG2 4.1Å; Y63-I67 HydrophobicContact CE1-CD1 4.11Å; Y63-I67 HydrophobicContact CE2-CD1 4.5Å; Y63-I67 HydrophobicContact CE2-CG2 3.58Å; Y63-I67 PolarHBondContact O-N 3Å; Y63-Y243 HydrophobicContact CD1-CD1 4.06Å; Y63-Y243 AromaticContact CD1-CD2 3.57Å; Y63-Y243 HydrophobicContact CD1-CD2 3.57Å; Y63-Y243 HydrophobicContact CD1-CE1 4.46Å; Y63-Y243 HydrophobicContact CD1-CE2 4.02Å; Y63-Y243 AromaticContact CD1-CG 3.57Å; Y63-Y243 HydrophobicContact CD1-CG 3.57Å; Y63-Y243 AromaticContact CD2-CD2 3.8Å; Y63-Y243 HydrophobicContact CD2-CD2 3.8Å; Y63-Y243 AromaticContact CD2-CE2 3.78Å; Y63-Y243 HydrophobicContact CD2-CE2 3.78Å; Y63-Y243 AromaticContact CE1-CD2 3.84Å; Y63-Y243 HydrophobicContact CE1-CD2 3.84Å; Y63-Y243 AromaticContact CE1-CG 3.85Å; Y63-Y243 HydrophobicContact CE1-CG 3.85Å; Y63-Y243 HydrophobicContact CE2-CD2 4.07Å; Y63-Y243 HydrophobicContact CE2-CE2 4.46Å; Y63-Y243 HydrophobicContact CG-CD1 4.42Å; Y63-Y243 AromaticContact CG-CD2 3.52Å; Y63-Y243 HydrophobicContact CG-CD2 3.52Å; Y63-Y243 HydrophobicContact CG-CE1 4.42Å; Y63-Y243 AromaticContact CG-CE2 3.52Å; Y63-Y243 HydrophobicContact CG-CE2 3.52Å; Y63-Y243 AromaticContact CG-CG 3.98Å; Y63-Y243 HydrophobicContact CG-CG 3.98Å; Y63-Y243 AromaticContact CG-CZ 3.99Å; Y63-E376 HydrophobicContact CE2-CG 4.22Å; Y63-E376 PolarHBondContact OH-OE1 3.09Å; Y63-M380 HydrophobicContact CD2-CE 3.82Å; Y63-M380 HydrophobicContact CE2-CE 3.42Å; Y63-M380 VanDerWaalsContact CE2-CE 3.42Å; Y63-M380 HydrophobicContact CE2-SD 4.32Å; Y63-Y403 HydrophobicContact CD2-CE2 4.23Å
64	L	97.4	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-44.3	-179	-70.3	167.2	0	0	0	111.7	I43 L60 T61 W66 I67 G68 V69 T71 I126 I236 I240	I43-L64 HydrophobicContact CD1-CD1 4.31Å; L60-L64 HydrophobicContact CD1-CD1 4.11Å; L60-L64 HydrophobicContact CD1-CG 4.25Å; L60-L64 HydrophobicContact CD2-CD1 4.5Å; L60-L64 HydrophobicContact CG-CD1 3.82Å; L60-L64 HydrophobicContact CG-CG 4.39Å; L60-L64 WeakPolarHBondContact O-CB 3.45Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.36Å; L60-L64 PolarHBondContact O-N 3.36Å; T61-L64 PolarHBondContact O-N 3.07Å; L64-W66 VanDerWaalsContact C-N 3.35Å; L64-W66 PolarHBondContact O-N 3.27Å; L64-I67 HydrophobicContact CD2-CD1 4.31Å; L64-I67 WeakPolarHBondContact O-CG1 3.29Å; L64-I67 PolarHBondContact O-N 3.37Å; L64-G68 PolarHBondContact O-N 2.79Å; L64-V69 CarbonylContact C-O 3.55Å; L64-V69 VanDerWaalsContact C-O 3.32Å; L64-V69 HydrophobicContact CB-CB 4.41Å; L64-V69 WeakPolarHBondContact O-CA 3.36Å; L64-V69 WeakPolarHBondContact O-CB 3.5Å; L64-V69 PolarHBondContact O-N 3.41Å; L64-T71 HydrophobicContact CB-CG2 4.35Å; L64-T71 WeakPolarHBondContact CB-OG1 3.34Å; L64-T71 HydrophobicContact CD1-CG2 3.9Å; L64-I126 HydrophobicContact CD1-CD1 3.75Å; L64-I126 HydrophobicContact CD1-CG2 4.24Å; L64-I126 HydrophobicContact CD2-CD1 3.95Å; L64-I126 HydrophobicContact CG-CD1 4.37Å; L64-I236 HydrophobicContact CD2-CD1 3.72Å; L64-I236 HydrophobicContact CD2-CG1 4.47Å; L64-I240 HydrophobicContact CD2-CG1 4.26Å
65	N	96.9	Very high	95.9	Very high	64 Å²	64	24.4 Å²	24.4	34%	0.342	13%	0.127	S	C	.	.	H	α-helix	trans	-63.2	-41.1	174.5	-78.8	-43.5	0	0	0	111.9	T61 Y63 I67 G68 V69 T71	T61-N65 WeakPolarHBondContact CG2-ND2 3.26Å; T61-N65 WeakPolarHBondContact O-CB 3.45Å; T61-N65 PolarHBondContact O-N 2.81Å; T61-N65 PolarHBondContact O-ND2 2.95Å; Y63-N65 PolarHBondContact O-N 3.32Å; N65-I67 PolarHBondContact O-N 2.87Å; N65-G68 VanDerWaalsContact O-CA 3.3Å; N65-G68 WeakPolarHBondContact O-CA 3.42Å; N65-G68 PolarHBondContact O-N 3.17Å; N65-V69 PolarHBondContact N-O 3.37Å; N65-V69 PolarHBondContact OD1-O 3.25Å; N65-T71 PolarHBondContact ND2-O 3.24Å; N65-T71 PolarHBondContact OD1-N 3.46Å; N65-T71 PolarHBondContact OD1-O 2.89Å
66	W	97.5	Very high	96.1	Very high	14 Å²	14	23.4 Å²	23.4	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-41.6	179.4	-175.6	83	0	0	0	112.2	R62 Y63 L64 G68 V372 L375 E376 I379 C399 Y403	R62-W66 VanDerWaalsContact O-CB 3.27Å; R62-W66 WeakPolarHBondContact O-CB 3.31Å; R62-W66 PolarHBondContact O-N 3.37Å; Y63-W66 PolarHBondContact O-N 2.89Å; L64-W66 VanDerWaalsContact C-N 3.35Å; L64-W66 PolarHBondContact O-N 3.27Å; W66-G68 PolarHBondContact O-N 2.88Å; W66-V372 HydrophobicContact CD2-CG1 4.03Å; W66-V372 HydrophobicContact CE3-CG1 3.96Å; W66-V372 HydrophobicContact CH2-CB 4.44Å; W66-V372 HydrophobicContact CH2-CG1 4Å; W66-V372 VanDerWaalsContact CH2-O 3.25Å; W66-V372 WeakPolarHBondContact CH2-O 3.4Å; W66-V372 HydrophobicContact CZ2-CB 4.33Å; W66-V372 HydrophobicContact CZ2-CG1 4.09Å; W66-V372 HydrophobicContact CZ2-CG2 4.12Å; W66-V372 HydrophobicContact CZ3-CG1 3.92Å; W66-V372 WeakPolarHBondContact O-CG1 3.26Å; W66-L375 HydrophobicContact CH2-CB 3.94Å; W66-L375 HydrophobicContact CZ2-CB 4.38Å; W66-E376 HydrophobicContact CZ3-CB 4.36Å; W66-I379 HydrophobicContact CE3-CG1 4.42Å; W66-I379 HydrophobicContact CH2-CD1 4.45Å; W66-I379 HydrophobicContact CH2-CG1 3.52Å; W66-I379 HydrophobicContact CZ2-CD1 4.42Å; W66-I379 HydrophobicContact CZ2-CG1 3.95Å; W66-I379 HydrophobicContact CZ3-CB 4.47Å; W66-I379 HydrophobicContact CZ3-CG1 3.79Å; W66-C399 HydrophobicContact CZ2-CB 4.33Å; W66-C399 PolarHBondContact NE1-O 3Å; W66-Y403 HydrophobicContact CB-CD2 3.99Å; W66-Y403 VanDerWaalsContact CD1-CA 3.5Å; W66-Y403 AromaticContact CD2-CD2 3.99Å; W66-Y403 HydrophobicContact CD2-CD2 3.99Å; W66-Y403 HydrophobicContact CD2-CG 4.45Å; W66-Y403 HydrophobicContact CE3-CD2 4.3Å; W66-Y403 AromaticContact CG-CD2 3.85Å; W66-Y403 HydrophobicContact CG-CD2 3.85Å; W66-Y403 HydrophobicContact CG-CG 4.4Å
67	I	95.2	Very high	96.1	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.041	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	2.6	171.9	67.9	172.9	0	0	0	113.3	S31 A33 Y63 L64 N65 V69 E376	S31-I67 WeakPolarHBondContact CB-O 3.3Å; S31-I67 PolarHBondContact OG-O 3.07Å; A33-I67 HydrophobicContact CB-CB 4.48Å; A33-I67 HydrophobicContact CB-CD1 3.78Å; A33-I67 HydrophobicContact CB-CG1 4.11Å; Y63-I67 HydrophobicContact CD2-CG2 4.1Å; Y63-I67 HydrophobicContact CE1-CD1 4.11Å; Y63-I67 HydrophobicContact CE2-CD1 4.5Å; Y63-I67 HydrophobicContact CE2-CG2 3.58Å; Y63-I67 PolarHBondContact O-N 3Å; L64-I67 HydrophobicContact CD2-CD1 4.31Å; L64-I67 WeakPolarHBondContact O-CG1 3.29Å; L64-I67 PolarHBondContact O-N 3.37Å; N65-I67 PolarHBondContact O-N 2.87Å; I67-V69 HydrophobicContact CD1-CG2 4.29Å; I67-V69 HydrophobicContact CG1-CG2 4.17Å; I67-E376 HydrophobicContact CG2-CG 4.19Å
68	G	93.4	Very high	96	Very high	24 Å²	24	26.1 Å²	26.1	25%	0.247	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	17.7	172.6	0	0	0	0	0	115.7	S31 S34 L64 N65 W66 P70	S31-G68 WeakPolarHBondContact OG-CA 3.36Å; S31-G68 PolarHBondContact OG-O 2.94Å; S34-G68 WeakPolarHBondContact CB-O 3.39Å; L64-G68 PolarHBondContact O-N 2.79Å; N65-G68 VanDerWaalsContact O-CA 3.3Å; N65-G68 WeakPolarHBondContact O-CA 3.42Å; N65-G68 PolarHBondContact O-N 3.17Å; W66-G68 PolarHBondContact O-N 2.88Å; G68-P70 WeakPolarHBondContact O-CD 3.32Å
69	V	95.4	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.			trans	-96.5	108.3	174.6	-178.3	0	0	0	0	109.6	A33 L64 N65 I67 T71 Q125 I126 I236	A33-V69 HydrophobicContact CB-CG2 3.55Å; L64-V69 CarbonylContact C-O 3.55Å; L64-V69 VanDerWaalsContact C-O 3.32Å; L64-V69 HydrophobicContact CB-CB 4.41Å; L64-V69 WeakPolarHBondContact O-CA 3.36Å; L64-V69 WeakPolarHBondContact O-CB 3.5Å; L64-V69 PolarHBondContact O-N 3.41Å; N65-V69 PolarHBondContact N-O 3.37Å; N65-V69 PolarHBondContact OD1-O 3.25Å; I67-V69 HydrophobicContact CD1-CG2 4.29Å; I67-V69 HydrophobicContact CG1-CG2 4.17Å; V69-T71 PolarHBondContact O-N 3.14Å; V69-T71 PolarHBondContact O-OG1 2.93Å; V69-Q125 HydrophobicContact CG1-CB 4.11Å; V69-I126 HydrophobicContact CG1-CD1 3.53Å; V69-I126 HydrophobicContact CG1-CG1 3.93Å; V69-I236 HydrophobicContact CG2-CD1 4.18Å
70	P	96.6	Very high	96	Very high	46 Å²	46	24 Å²	24	30%	0.299	13%	0.134	S	C	.	.			trans	-58.2	113.4	-177	-24.7	34.8	0	0	0	111.8	G68 Y118 Q125 I126	G68-P70 WeakPolarHBondContact O-CD 3.32Å; P70-Y118 PolarHBondContact O-OH 3.35Å; P70-Q125 HydrophobicContact CG-CG 4.49Å; P70-Q125 PolarHBondContact O-N 2.9Å; P70-I126 PolarHBondContact O-N 3.2Å
71	T	98.2	Very high	95.8	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137	-173.3	-53.8	0	0	0	0	111.9	T61 L64 N65 V69 Y118 I126 V128	T61-T71 HydrophobicContact CG2-CG2 3.83Å; T61-T71 WeakPolarHBondContact CG2-O 3.49Å; T61-T71 WeakPolarHBondContact OG1-CG2 3.37Å; L64-T71 HydrophobicContact CB-CG2 4.35Å; L64-T71 WeakPolarHBondContact CB-OG1 3.34Å; L64-T71 HydrophobicContact CD1-CG2 3.9Å; N65-T71 PolarHBondContact ND2-O 3.24Å; N65-T71 PolarHBondContact OD1-N 3.46Å; N65-T71 PolarHBondContact OD1-O 2.89Å; V69-T71 PolarHBondContact O-N 3.14Å; V69-T71 PolarHBondContact O-OG1 2.93Å; T71-Y118 WeakPolarHBondContact CA-OH 3.18Å; T71-Y118 PolarHBondContact N-OH 3.49Å; T71-I126 VanDerWaalsContact CA-O 3.23Å; T71-I126 WeakPolarHBondContact CA-O 3.4Å; T71-I126 HydrophobicContact CG2-CB 3.87Å; T71-I126 HydrophobicContact CG2-CG2 3.8Å; T71-V128 HydrophobicContact CG2-CG2 3.94Å
72	K	98.3	Very high	95.4	Very high	79 Å²	79	33.7 Å²	33.7	34%	0.343	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.3	178.7	-169.3	174	-177.8	-178.7	0	111.4	F74 Y118 E122 I126 A127 V128	K72-F74 HydrophobicContact CB-CE2 3.94Å; K72-F74 HydrophobicContact CB-CZ 4.34Å; K72-F74 HydrophobicContact CD-CE1 4.46Å; K72-F74 HydrophobicContact CD-CE2 4.28Å; K72-F74 HydrophobicContact CD-CZ 3.84Å; K72-F74 HydrophobicContact CG-CE2 4.05Å; K72-F74 HydrophobicContact CG-CZ 4.11Å; K72-Y118 HydrophobicContact CB-CD1 4.19Å; K72-Y118 HydrophobicContact CB-CD2 4.25Å; K72-Y118 HydrophobicContact CB-CE1 3.73Å; K72-Y118 HydrophobicContact CB-CE2 3.82Å; K72-Y118 HydrophobicContact CB-CG 4.43Å; K72-Y118 HydrophobicContact CD-CD2 3.6Å; K72-Y118 HydrophobicContact CD-CE2 3.73Å; K72-Y118 HydrophobicContact CD-CG 4.1Å; K72-Y118 HydrophobicContact CG-CE2 4.45Å; K72-E122 IonicContact NZ-OE1 3.41Å; K72-E122 PolarHBondContact NZ-OE1 3.26Å; K72-E122 IonicContact NZ-OE2 3.8Å; K72-E122 PolarHBondContact NZ-OE2 3.4Å; K72-I126 PolarHBondContact N-O 3.37Å; K72-I126 VanDerWaalsContact N-O 3.1Å; K72-A127 WeakPolarHBondContact O-CA 3.46Å; K72-V128 PolarHBondContact O-N 3.43Å
73	V	98.1	Very high	95.1	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.248	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.2	174.8	-176.9	0	0	0	0	110	T61 N75 V128 D130	T61-V73 HydrophobicContact CG2-CG2 4.04Å; T61-V73 WeakPolarHBondContact OG1-CG2 3.36Å; V73-N75 HydrophobicContact CG1-CB 4.46Å; V73-V128 WeakPolarHBondContact CA-O 3.34Å; V73-V128 HydrophobicContact CG2-CB 4.25Å; V73-D130 HydrophobicContact CG1-CB 4.03Å
74	F	98.3	Very high	94.5	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	93.1	172.6	-62.2	-96.4	0	0	0	108.1	K72 L76 D114 V115 Y118 A127 V128 F129 D130	K72-F74 HydrophobicContact CB-CE2 3.94Å; K72-F74 HydrophobicContact CB-CZ 4.34Å; K72-F74 HydrophobicContact CD-CE1 4.46Å; K72-F74 HydrophobicContact CD-CE2 4.28Å; K72-F74 HydrophobicContact CD-CZ 3.84Å; K72-F74 HydrophobicContact CG-CE2 4.05Å; K72-F74 HydrophobicContact CG-CZ 4.11Å; F74-L76 PolarHBondContact O-N 2.89Å; F74-D114 HydrophobicContact CD1-CB 4.08Å; F74-D114 HydrophobicContact CE1-CB 3.73Å; F74-V115 HydrophobicContact CB-CG2 4.26Å; F74-V115 HydrophobicContact CD1-CG2 3.87Å; F74-V115 HydrophobicContact CD2-CG2 3.55Å; F74-V115 HydrophobicContact CE1-CG2 4.06Å; F74-V115 HydrophobicContact CE2-CG2 3.76Å; F74-V115 HydrophobicContact CG-CG2 3.61Å; F74-V115 HydrophobicContact CZ-CG2 4.01Å; F74-Y118 HydrophobicContact CE2-CD1 4.17Å; F74-Y118 HydrophobicContact CE2-CG 4.42Å; F74-Y118 HydrophobicContact CZ-CD1 4.18Å; F74-Y118 AromaticContact CZ-CG 3.97Å; F74-Y118 HydrophobicContact CZ-CG 3.97Å; F74-A127 HydrophobicContact CD2-CB 3.95Å; F74-A127 HydrophobicContact CE2-CB 3.62Å; F74-V128 PolarHBondContact N-O 3.35Å; F74-F129 HydrophobicContact CB-CD2 4.34Å; F74-D130 PolarHBondContact O-N 3.41Å
75	N	96.3	Very high	93.4	Very high	34 Å²	34	47 Å²	47	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.2	-175.9	-177.5	-65.9	0	0	0	110.9	V73 G77 V78 Y79 D130	V73-N75 HydrophobicContact CG1-CB 4.46Å; N75-G77 PolarHBondContact O-N 3.12Å; N75-G77 VanDerWaalsContact O-N 3.1Å; N75-G77 VanDerWaalsContact OD1-CA 3.23Å; N75-G77 WeakPolarHBondContact OD1-CA 3.21Å; N75-G77 PolarHBondContact OD1-N 3.46Å; N75-V78 HydrophobicContact CB-CG2 4.04Å; N75-V78 WeakPolarHBondContact O-CB 3.48Å; N75-V78 PolarHBondContact O-N 3.35Å; N75-V78 PolarHBondContact OD1-N 2.69Å; N75-Y79 WeakPolarHBondContact O-CD2 3.36Å; N75-D130 PolarHBondContact ND2-OD2 2.94Å
76	L	95.3	Very high	92.2	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-20	-175.1	-149.2	71.8	0	0	0	113.8	F74 V78 R80 C107 A108 A111 F129 D130 A131	F74-L76 PolarHBondContact O-N 2.89Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.32Å; L76-R80 WeakPolarHBondContact O-CB 3.37Å; L76-R80 PolarHBondContact O-N 2.99Å; L76-R80 VanDerWaalsContact O-N 3.08Å; L76-C107 HydrophobicContact CD1-CB 4.48Å; L76-A108 HydrophobicContact CD1-CB 4.29Å; L76-A108 HydrophobicContact CD2-CB 4Å; L76-A111 HydrophobicContact CD1-CB 3.64Å; L76-F129 HydrophobicContact CD1-CE2 4.38Å; L76-F129 HydrophobicContact CD1-CZ 4Å; L76-D130 PolarHBondContact N-O 2.85Å; L76-A131 HydrophobicContact CB-CB 3.75Å; L76-A131 HydrophobicContact CD2-CB 3.8Å; L76-A131 HydrophobicContact CG-CB 4.38Å
77	G	91.4	Very high	91.2	Very high	18 Å²	18	48.7 Å²	48.7	19%	0.186	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-31.9	171.7	0	0	0	0	0	113.2	N75 R80 R81	N75-G77 PolarHBondContact O-N 3.12Å; N75-G77 VanDerWaalsContact O-N 3.1Å; N75-G77 VanDerWaalsContact OD1-CA 3.23Å; N75-G77 WeakPolarHBondContact OD1-CA 3.21Å; N75-G77 PolarHBondContact OD1-N 3.46Å; G77-R80 PolarHBondContact O-NE 2.87Å; G77-R80 PolarHBondContact O-NH2 3.43Å; G77-R81 WeakPolarHBondContact O-CG 3.49Å; G77-R81 VanDerWaalsContact O-CZ 3.29Å; G77-R81 PolarHBondContact O-N 3.22Å; G77-R81 PolarHBondContact O-NH1 2.95Å
78	V	92.7	Very high	90.2	Very high	55 Å²	55	55.8 Å²	55.8	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-56.8	175.8	177.5	0	0	0	0	110	N75 L76 R80 R81 E82	N75-V78 HydrophobicContact CB-CG2 4.04Å; N75-V78 WeakPolarHBondContact O-CB 3.48Å; N75-V78 PolarHBondContact O-N 3.35Å; N75-V78 PolarHBondContact OD1-N 2.69Å; L76-V78 VanDerWaalsContact C-N 3.29Å; L76-V78 PolarHBondContact O-N 3.32Å; V78-R80 PolarHBondContact O-N 2.93Å; V78-R80 VanDerWaalsContact O-N 3.17Å; V78-R81 VanDerWaalsContact CG2-NH2 3.34Å; V78-R81 PolarHBondContact O-N 3.27Å; V78-E82 WeakPolarHBondContact CG1-OE1 3.43Å; V78-E82 PolarHBondContact O-N 2.95Å
79	Y	95.3	Very high	89.9	Confident	43 Å²	43	56 Å²	56	17%	0.169	29%	0.292	C	S	.	.	H	α-helix	trans	-50.4	-43.7	175.9	-71.5	-91.4	0	0	0	112.8	N75 E82 A83 V110 A111 D114	N75-Y79 WeakPolarHBondContact O-CD2 3.36Å; Y79-E82 PolarHBondContact O-N 3.42Å; Y79-A83 WeakPolarHBondContact O-CB 3.32Å; Y79-A83 PolarHBondContact O-N 3.37Å; Y79-V110 HydrophobicContact CD1-CG1 4.1Å; Y79-V110 HydrophobicContact CE1-CG1 4.07Å; Y79-A111 HydrophobicContact CD1-CB 4.26Å; Y79-A111 HydrophobicContact CD2-CB 3.98Å; Y79-A111 HydrophobicContact CE1-CB 4.07Å; Y79-A111 HydrophobicContact CE2-CB 3.8Å; Y79-A111 HydrophobicContact CG-CB 4.21Å; Y79-D114 WeakPolarHBondContact CE1-OD2 3.46Å; Y79-D114 VanDerWaalsContact CZ-OD2 3.25Å; Y79-D114 PolarHBondContact OH-OD2 3.07Å
80	R	93.8	Very high	89.7	Confident	16 Å²	16	59 Å²	59	6%	0.06	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-35.1	178	170.7	-80.4	-33.3	-145.7	5.3	113	L76 G77 V78 V84 F92 D179	L76-R80 WeakPolarHBondContact O-CB 3.37Å; L76-R80 PolarHBondContact O-N 2.99Å; L76-R80 VanDerWaalsContact O-N 3.08Å; G77-R80 PolarHBondContact O-NE 2.87Å; G77-R80 PolarHBondContact O-NH2 3.43Å; V78-R80 PolarHBondContact O-N 2.93Å; V78-R80 VanDerWaalsContact O-N 3.17Å; R80-V84 VanDerWaalsContact O-CB 3.31Å; R80-V84 WeakPolarHBondContact O-CB 3.42Å; R80-V84 WeakPolarHBondContact O-CG2 3.25Å; R80-V84 PolarHBondContact O-N 2.91Å; R80-F92 HydrophobicContact CG-CE1 3.94Å; R80-F92 HydrophobicContact CG-CZ 4.26Å; R80-D179 IonicContact CZ-OD1 2.85Å; R80-D179 IonicContact CZ-OD2 2.8Å; R80-D179 IonicContact NH1-OD1 3.71Å; R80-D179 PolarHBondContact NH1-OD1 2.72Å; R80-D179 IonicContact NH1-OD2 3.04Å; R80-D179 PolarHBondContact NH1-OD2 2.75Å; R80-D179 IonicContact NH2-OD1 2.77Å; R80-D179 PolarHBondContact NH2-OD1 2.82Å; R80-D179 IonicContact NH2-OD2 3.32Å; R80-D179 PolarHBondContact NH2-OD2 3.08Å
81	R	90.3	Very high	89.4	Confident	76 Å²	76	59.8 Å²	59.8	29%	0.287	31%	0.305	S	S	.	.	H	α-helix	trans	-70.9	-34.3	175.7	-82	-173.1	-65.3	-87	-2.7	112.2	G77 V78 V84 D179	G77-R81 WeakPolarHBondContact O-CG 3.49Å; G77-R81 VanDerWaalsContact O-CZ 3.29Å; G77-R81 PolarHBondContact O-N 3.22Å; G77-R81 PolarHBondContact O-NH1 2.95Å; V78-R81 VanDerWaalsContact CG2-NH2 3.34Å; V78-R81 PolarHBondContact O-N 3.27Å; R81-V84 CarbonylContact O-C 3.55Å; R81-D179 WeakPolarHBondContact CD-OD1 3.43Å; R81-D179 WeakPolarHBondContact CG-OD1 3.48Å; R81-D179 IonicContact CZ-OD1 3.98Å; R81-D179 IonicContact NE-OD1 2.76Å; R81-D179 IonicContact NH1-OD1 3.65Å; R81-D179 PolarHBondContact NH1-OD1 3.05Å
82	E	90.6	Very high	89.1	Confident	140 Å²	140	60.9 Å²	60.9	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-69.8	-39	175.7	-69.6	172.2	-176	0	0	111.3	V78 Y79	V78-E82 WeakPolarHBondContact CG1-OE1 3.43Å; V78-E82 PolarHBondContact O-N 2.95Å; Y79-E82 PolarHBondContact O-N 3.42Å
83	A	89.6	Confident	88.9	Confident	63 Å²	63	57.4 Å²	57.4	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-71.4	-39.6	175.4	0	0	0	0	0	112.9	Y79	Y79-A83 WeakPolarHBondContact O-CB 3.32Å; Y79-A83 PolarHBondContact O-N 3.37Å
84	V	84.7	Confident	88.6	Confident	35 Å²	35	60.2 Å²	60.2	21%	0.212	30%	0.3	C	S	.	.	S	Bend	trans	-111.6	92.3	-175.4	-169.6	0	0	0	0	108.6	R80 R81 S86 F92 I103	R80-V84 VanDerWaalsContact O-CB 3.31Å; R80-V84 WeakPolarHBondContact O-CB 3.42Å; R80-V84 WeakPolarHBondContact O-CG2 3.25Å; R80-V84 PolarHBondContact O-N 2.91Å; R81-V84 CarbonylContact O-C 3.55Å; V84-S86 PolarHBondContact O-N 3.3Å; V84-F92 HydrophobicContact CG1-CE2 4.34Å; V84-F92 HydrophobicContact CG2-CE2 3.98Å; V84-F92 HydrophobicContact CG2-CZ 3.86Å; V84-I103 HydrophobicContact CG2-CG2 3.69Å
85	K	72.6	Confident	88.3	Confident	202 Å²	202	64.4 Å²	64.4	88%	0.878	32%	0.32	S	S	*	.	S	Bend	trans	-56.7	-18.3	-170.8	-64.3	-176.9	-179.8	179.1	0	115.4
86	S	73.3	Confident	88.2	Confident	70 Å²	70	66.9 Å²	66.9	49%	0.49	33%	0.333	S	S	.	.			trans	-144.7	130.6	171.9	58.4	0	0	0	0	111.9	V84 Q88	V84-S86 PolarHBondContact O-N 3.3Å; S86-Q88 PolarHBondContact OG-NE2 3.13Å
87	Y	76.3	Confident	88.1	Confident	43 Å²	43	68.3 Å²	68.3	17%	0.169	34%	0.34	C	S	.	.			trans	-81.6	131.4	167.1	178.8	-104.8	0	0	0	109.2	S89 Y90 F93 D179 Y180 D191	Y87-S89 WeakPolarHBondContact CE2-O 3.33Å; Y87-S89 VanDerWaalsContact CZ-C 3.4Å; Y87-S89 PolarHBondContact OH-O 3.15Å; Y87-Y90 PolarHBondContact OH-N 3.37Å; Y87-Y90 VanDerWaalsContact OH-N 3.15Å; Y87-F93 HydrophobicContact CD2-CE2 4.21Å; Y87-F93 HydrophobicContact CE2-CD2 4.1Å; Y87-F93 AromaticContact CE2-CE2 3.3Å; Y87-F93 HydrophobicContact CE2-CE2 3.3Å; Y87-F93 HydrophobicContact CE2-CZ 4.04Å; Y87-F93 AromaticContact CZ-CE2 3.92Å; Y87-D179 WeakPolarHBondContact CD1-O 3.13Å; Y87-Y180 HydrophobicContact CD1-CE1 4.29Å; Y87-Y180 HydrophobicContact CE1-CD1 4.24Å; Y87-Y180 AromaticContact CE1-CE1 3.59Å; Y87-Y180 HydrophobicContact CE1-CE1 3.59Å; Y87-Y180 AromaticContact CE1-CZ 3.84Å; Y87-Y180 PolarHBondContact OH-OH 2.83Å; Y87-D191 WeakPolarHBondContact CE1-OD2 3.08Å; Y87-D191 PolarHBondContact OH-OD2 3.3Å
88	Q	73.9	Confident	88.2	Confident	156 Å²	156	75.5 Å²	75.5	73%	0.729	37%	0.369	S	S	*	.			trans	-105.3	-61.4	180	-62.2	-65.8	-23.8	0	0	110.8	S86	S86-Q88 PolarHBondContact OG-NE2 3.13Å
89	S	87.4	Confident	88.2	Confident	29 Å²	29	79.9 Å²	79.9	20%	0.203	39%	0.386	C	S	.	.			trans	-157.4	175.8	-176.1	71.5	0	0	0	0	112.2	Y87 D91 F92 D191	Y87-S89 WeakPolarHBondContact CE2-O 3.33Å; Y87-S89 VanDerWaalsContact CZ-C 3.4Å; Y87-S89 PolarHBondContact OH-O 3.15Å; S89-D91 PolarHBondContact O-N 2.8Å; S89-D91 VanDerWaalsContact O-N 3.08Å; S89-D91 WeakPolarHBondContact OG-CB 3.44Å; S89-D91 PolarHBondContact OG-N 3.45Å; S89-D91 PolarHBondContact OG-OD2 3.36Å; S89-F92 PolarHBondContact O-N 3.45Å; S89-D191 WeakPolarHBondContact CA-OD1 3.25Å
90	Y	90.3	Very high	88.1	Confident	64 Å²	64	78 Å²	78	25%	0.251	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-55.6	-18.6	172.3	74.3	-84	0	0	0	114.2	Y87 F92 F93 D191 K194	Y87-Y90 PolarHBondContact OH-N 3.37Å; Y87-Y90 VanDerWaalsContact OH-N 3.15Å; Y90-F92 PolarHBondContact O-N 3.4Å; Y90-F93 WeakPolarHBondContact O-CA 3.22Å; Y90-F93 WeakPolarHBondContact O-CB 3.35Å; Y90-F93 PolarHBondContact O-N 2.98Å; Y90-D191 WeakPolarHBondContact CD1-OD1 3.26Å; Y90-D191 PolarHBondContact N-OD1 2.96Å; Y90-K194 HydrophobicContact CD1-CB 3.83Å; Y90-K194 HydrophobicContact CD1-CD 3.85Å; Y90-K194 HydrophobicContact CD1-CG 4.49Å; Y90-K194 HydrophobicContact CD2-CB 3.73Å; Y90-K194 HydrophobicContact CE1-CB 4.22Å; Y90-K194 HydrophobicContact CE1-CD 3.51Å; Y90-K194 HydrophobicContact CE1-CG 4.49Å; Y90-K194 HydrophobicContact CE2-CB 4.09Å; Y90-K194 HydrophobicContact CE2-CD 4.34Å; Y90-K194 HydrophobicContact CG-CB 3.59Å; Y90-K194 HydrophobicContact CG-CD 4.42Å
91	D	91.1	Very high	88	Confident	61 Å²	61	80.8 Å²	80.8	33%	0.326	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-59.9	-29	-179.2	-66.7	-53	0	0	0	112.9	S89 F93 R94 N97	S89-D91 PolarHBondContact O-N 2.8Å; S89-D91 VanDerWaalsContact O-N 3.08Å; S89-D91 WeakPolarHBondContact OG-CB 3.44Å; S89-D91 PolarHBondContact OG-N 3.45Å; S89-D91 PolarHBondContact OG-OD2 3.36Å; D91-F93 PolarHBondContact O-N 2.96Å; D91-R94 PolarHBondContact O-N 2.93Å; D91-N97 PolarHBondContact O-ND2 3.1Å; D91-N97 VanDerWaalsContact O-ND2 3.12Å
92	F	92	Very high	88.2	Confident	31 Å²	31	85 Å²	85	14%	0.136	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-61.1	-23.5	172.3	-177.3	-94.7	0	0	0	112.5	R80 V84 S89 Y90 A100 I103 R104	R80-F92 HydrophobicContact CG-CE1 3.94Å; R80-F92 HydrophobicContact CG-CZ 4.26Å; V84-F92 HydrophobicContact CG1-CE2 4.34Å; V84-F92 HydrophobicContact CG2-CE2 3.98Å; V84-F92 HydrophobicContact CG2-CZ 3.86Å; S89-F92 PolarHBondContact O-N 3.45Å; Y90-F92 PolarHBondContact O-N 3.4Å; F92-A100 HydrophobicContact CD1-CB 4.46Å; F92-A100 HydrophobicContact CD2-CB 3.55Å; F92-A100 HydrophobicContact CE1-CB 4.49Å; F92-A100 HydrophobicContact CE2-CB 3.58Å; F92-A100 HydrophobicContact CG-CB 4.01Å; F92-A100 HydrophobicContact CZ-CB 4.07Å; F92-A100 WeakPolarHBondContact O-CB 3.47Å; F92-I103 HydrophobicContact CE2-CD1 4.39Å; F92-I103 HydrophobicContact CZ-CB 4.47Å; F92-I103 HydrophobicContact CZ-CG2 4.19Å; F92-R104 HydrophobicContact CE1-CG 3.77Å; F92-R104 HydrophobicContact CZ-CG 4.1Å; F92-R104 PolarHBondContact O-NH2 3.08Å
93	F	93.4	Very high	88.4	Confident	6 Å²	6	80.8 Å²	80.8	3%	0.026	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-96.9	-5	-176.1	-63	-65.6	0	0	0	114.9	Y87 Y90 D91 R104 R195 C198 Y199	Y87-F93 HydrophobicContact CD2-CE2 4.21Å; Y87-F93 HydrophobicContact CE2-CD2 4.1Å; Y87-F93 AromaticContact CE2-CE2 3.3Å; Y87-F93 HydrophobicContact CE2-CE2 3.3Å; Y87-F93 HydrophobicContact CE2-CZ 4.04Å; Y87-F93 AromaticContact CZ-CE2 3.92Å; Y90-F93 WeakPolarHBondContact O-CA 3.22Å; Y90-F93 WeakPolarHBondContact O-CB 3.35Å; Y90-F93 PolarHBondContact O-N 2.98Å; D91-F93 PolarHBondContact O-N 2.96Å; F93-R104 PolarHBondContact O-NH1 3.11Å; F93-R104 VanDerWaalsContact O-NH1 3.1Å; F93-R104 PolarHBondContact O-NH2 3.36Å; F93-R195 HydrophobicContact CB-CG 4.26Å; F93-R195 HydrophobicContact CD2-CB 4.29Å; F93-R195 VanDerWaalsContact CD2-CD 3.46Å; F93-R195 HydrophobicContact CD2-CG 3.49Å; F93-R195 VanDerWaalsContact CD2-CG 3.49Å; F93-R195 HydrophobicContact CE2-CG 3.99Å; F93-R195 HydrophobicContact CG-CG 3.96Å; F93-C198 HydrophobicContact CB-CB 4.36Å; F93-Y199 HydrophobicContact CB-CE2 3.94Å; F93-Y199 AromaticContact CD1-CE2 3.97Å; F93-Y199 HydrophobicContact CD1-CE2 3.97Å; F93-Y199 AromaticContact CD1-CZ 3.95Å; F93-Y199 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y199 HydrophobicContact CG-CE2 4.05Å
94	R	93.3	Very high	88.6	Confident	100 Å²	100	78.9 Å²	78.9	38%	0.377	38%	0.375	S	S	.	.			trans	-59.4	149.6	177	-58.3	169.1	56.7	129	-1	111	D91 D96 N97 R104	D91-R94 PolarHBondContact O-N 2.93Å; R94-D96 WeakPolarHBondContact CB-OD1 3.44Å; R94-D96 IonicContact CZ-OD1 2.64Å; R94-D96 IonicContact CZ-OD2 3.73Å; R94-D96 IonicContact NE-OD1 3.92Å; R94-D96 PolarHBondContact NE-OD1 3.46Å; R94-D96 IonicContact NE-OD2 3.46Å; R94-D96 IonicContact NH2-OD1 2.66Å; R94-D96 IonicContact NH2-OD2 3.47Å; R94-D96 PolarHBondContact NH2-OD2 3.21Å; R94-N97 HydrophobicContact CB-CB 4.28Å; R94-R104 PolarHBondContact O-NH2 3.37Å
95	H	90.9	Very high	89.1	Confident	92 Å²	92	81.6 Å²	81.6	43%	0.426	38%	0.384	S	S	.	.	S	Bend	trans	-79.9	-23.5	-177.5	66.5	-82.3	0	0	0	112.4	T202	H95-T202 HydrophobicContact CB-CG2 3.87Å
96	D	93.3	Very high	90.2	Very high	85 Å²	85	77.3 Å²	77.3	46%	0.455	37%	0.367	S	S	.	.	S	Bend	trans	-86.5	-4.2	175.8	60.8	-12.2	0	0	0	113.2	R94 E98	R94-D96 WeakPolarHBondContact CB-OD1 3.44Å; R94-D96 IonicContact CZ-OD1 2.64Å; R94-D96 IonicContact CZ-OD2 3.73Å; R94-D96 IonicContact NE-OD1 3.92Å; R94-D96 PolarHBondContact NE-OD1 3.46Å; R94-D96 IonicContact NE-OD2 3.46Å; R94-D96 IonicContact NH2-OD1 2.66Å; R94-D96 IonicContact NH2-OD2 3.47Å; R94-D96 PolarHBondContact NH2-OD2 3.21Å; D96-E98 PolarHBondContact O-N 3.49Å; D96-E98 VanDerWaalsContact O-N 3.15Å
97	N	94.4	Very high	91.3	Very high	49 Å²	49	74.3 Å²	74.3	26%	0.262	35%	0.346	S	S	.	.			trans	-82.1	88.5	172.1	-172.4	-24.5	0	0	0	110.2	D91 R94 E99 A100 M101	D91-N97 PolarHBondContact O-ND2 3.1Å; D91-N97 VanDerWaalsContact O-ND2 3.12Å; R94-N97 HydrophobicContact CB-CB 4.28Å; N97-E99 PolarHBondContact O-N 3.2Å; N97-A100 HydrophobicContact CB-CB 4.12Å; N97-A100 VanDerWaalsContact CG-CB 3.43Å; N97-A100 PolarHBondContact O-N 3.17Å; N97-A100 WeakPolarHBondContact OD1-CB 3.3Å; N97-A100 PolarHBondContact OD1-N 3.21Å; N97-M101 WeakPolarHBondContact O-CB 3.29Å; N97-M101 VanDerWaalsContact O-CG 3.3Å; N97-M101 WeakPolarHBondContact O-CG 3.48Å; N97-M101 PolarHBondContact O-N 3.36Å
98	E	93.9	Very high	92.3	Very high	169 Å²	169	72.3 Å²	72.3	79%	0.79	34%	0.338	S	S	*	.	H	α-helix	trans	-58.9	-42.2	-175.9	-65.2	-172.3	174.3	0	0	113.3	D96 M101 K102	D96-E98 PolarHBondContact O-N 3.49Å; D96-E98 VanDerWaalsContact O-N 3.15Å; E98-M101 PolarHBondContact O-N 3.44Å; E98-K102 WeakPolarHBondContact O-CB 3.39Å; E98-K102 PolarHBondContact O-N 2.78Å
99	E	92.7	Very high	93.5	Very high	148 Å²	148	68.2 Å²	68.2	69%	0.692	32%	0.321	S	S	*	.	H	α-helix	trans	-63.2	-49	179.2	-173.7	-179.4	-177.9	0	0	110.8	N97 M101 K102 I103	N97-E99 PolarHBondContact O-N 3.2Å; E99-M101 VanDerWaalsContact C-N 3.33Å; E99-M101 PolarHBondContact O-N 2.83Å; E99-K102 WeakPolarHBondContact O-CB 3.05Å; E99-K102 PolarHBondContact O-N 3.45Å; E99-I103 HydrophobicContact CG-CD1 4.24Å; E99-I103 WeakPolarHBondContact O-CG1 3.28Å; E99-I103 PolarHBondContact O-N 3.4Å
100	A	91.9	Very high	94	Very high	2 Å²	2	69.8 Å²	69.8	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-32.7	178.6	0	0	0	0	0	112.6	F92 N97 R104	F92-A100 HydrophobicContact CD1-CB 4.46Å; F92-A100 HydrophobicContact CD2-CB 3.55Å; F92-A100 HydrophobicContact CE1-CB 4.49Å; F92-A100 HydrophobicContact CE2-CB 3.58Å; F92-A100 HydrophobicContact CG-CB 4.01Å; F92-A100 HydrophobicContact CZ-CB 4.07Å; F92-A100 WeakPolarHBondContact O-CB 3.47Å; N97-A100 HydrophobicContact CB-CB 4.12Å; N97-A100 VanDerWaalsContact CG-CB 3.43Å; N97-A100 PolarHBondContact O-N 3.17Å; N97-A100 WeakPolarHBondContact OD1-CB 3.3Å; N97-A100 PolarHBondContact OD1-N 3.21Å; A100-R104 WeakPolarHBondContact O-CB 3.22Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.43Å; A100-R104 PolarHBondContact O-N 3Å; A100-R104 PolarHBondContact O-NE 2.92Å
101	M	92.1	Very high	94.4	Very high	75 Å²	75	66.7 Å²	66.7	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-44.1	171.3	-78.5	-67	-77.8	0	0	111.3	N97 E98 E99 R104 K105	N97-M101 WeakPolarHBondContact O-CB 3.29Å; N97-M101 VanDerWaalsContact O-CG 3.3Å; N97-M101 WeakPolarHBondContact O-CG 3.48Å; N97-M101 PolarHBondContact O-N 3.36Å; E98-M101 PolarHBondContact O-N 3.44Å; E99-M101 VanDerWaalsContact C-N 3.33Å; E99-M101 PolarHBondContact O-N 2.83Å; M101-R104 PolarHBondContact O-N 2.88Å; M101-R104 PolarHBondContact SD-NH2 2.7Å; M101-K105 WeakPolarHBondContact O-CB 3.27Å; M101-K105 PolarHBondContact O-N 3.31Å
102	K	94.4	Very high	94.7	Very high	165 Å²	165	64 Å²	64	72%	0.717	30%	0.302	S	S	*	.	H	α-helix	trans	-61.1	-46.4	176	-172.4	179	-179.4	-179.5	0	111.5	E98 E99 K105 Q106	E98-K102 WeakPolarHBondContact O-CB 3.39Å; E98-K102 PolarHBondContact O-N 2.78Å; E99-K102 WeakPolarHBondContact O-CB 3.05Å; E99-K102 PolarHBondContact O-N 3.45Å; K102-K105 PolarHBondContact O-N 3.04Å; K102-Q106 PolarHBondContact O-N 3.05Å
103	I	94.3	Very high	95	Very high	51 Å²	51	67.3 Å²	67.3	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-50.1	176.7	-66.4	167	0	0	0	110.7	V84 F92 E99 K105 Q106 C107	V84-I103 HydrophobicContact CG2-CG2 3.69Å; F92-I103 HydrophobicContact CE2-CD1 4.39Å; F92-I103 HydrophobicContact CZ-CB 4.47Å; F92-I103 HydrophobicContact CZ-CG2 4.19Å; E99-I103 HydrophobicContact CG-CD1 4.24Å; E99-I103 WeakPolarHBondContact O-CG1 3.28Å; E99-I103 PolarHBondContact O-N 3.4Å; I103-K105 VanDerWaalsContact C-N 3.28Å; I103-K105 PolarHBondContact O-N 3.22Å; I103-Q106 PolarHBondContact O-N 3.16Å; I103-Q106 VanDerWaalsContact O-N 3.13Å; I103-C107 PolarHBondContact O-N 2.91Å; I103-C107 PolarHBondContact O-SG 3.24Å; I103-C107 VanDerWaalsContact O-SG 3.32Å
104	R	93.9	Very high	95.3	Very high	24 Å²	24	70 Å²	70	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-34.3	179.2	-74.3	-177	-68.7	178.4	-11.7	112.7	F92 F93 R94 A100 M101 A108 Y199	F92-R104 HydrophobicContact CE1-CG 3.77Å; F92-R104 HydrophobicContact CZ-CG 4.1Å; F92-R104 PolarHBondContact O-NH2 3.08Å; F93-R104 PolarHBondContact O-NH1 3.11Å; F93-R104 VanDerWaalsContact O-NH1 3.1Å; F93-R104 PolarHBondContact O-NH2 3.36Å; R94-R104 PolarHBondContact O-NH2 3.37Å; A100-R104 WeakPolarHBondContact O-CB 3.22Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.43Å; A100-R104 PolarHBondContact O-N 3Å; A100-R104 PolarHBondContact O-NE 2.92Å; M101-R104 PolarHBondContact O-N 2.88Å; M101-R104 PolarHBondContact SD-NH2 2.7Å; R104-A108 PolarHBondContact O-N 2.85Å; R104-Y199 PolarHBondContact NH1-OH 3.5Å
105	K	95.2	Very high	95.5	Very high	92 Å²	92	65.3 Å²	65.3	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-67.9	-45	173.8	-173.7	170.9	-177.5	166.6	0	110.7	M101 K102 I103 C107 A108 L109 E137	M101-K105 WeakPolarHBondContact O-CB 3.27Å; M101-K105 PolarHBondContact O-N 3.31Å; K102-K105 PolarHBondContact O-N 3.04Å; I103-K105 VanDerWaalsContact C-N 3.28Å; I103-K105 PolarHBondContact O-N 3.22Å; K105-C107 PolarHBondContact O-N 3.36Å; K105-A108 WeakPolarHBondContact O-CB 3.39Å; K105-A108 PolarHBondContact O-N 3.44Å; K105-A108 VanDerWaalsContact O-N 3.11Å; K105-L109 PolarHBondContact O-N 3.23Å; K105-E137 IonicContact NZ-OE1 3.88Å
106	Q	96.4	Very high	95.8	Very high	111 Å²	111	64.4 Å²	64.4	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-44	177.2	-170.9	60.6	28.7	0	0	112.1	K102 I103 A108 L109 V110	K102-Q106 PolarHBondContact O-N 3.05Å; I103-Q106 PolarHBondContact O-N 3.16Å; I103-Q106 VanDerWaalsContact O-N 3.13Å; Q106-A108 PolarHBondContact O-N 3.47Å; Q106-L109 PolarHBondContact O-N 2.94Å; Q106-L109 VanDerWaalsContact O-N 3.13Å; Q106-V110 WeakPolarHBondContact O-CG2 3.38Å; Q106-V110 PolarHBondContact O-N 3.04Å
107	C	96.9	Very high	96.1	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.054	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-39.7	174.2	-64.5	0	0	0	0	111.9	L76 I103 K105 V110 A111	L76-C107 HydrophobicContact CD1-CB 4.48Å; I103-C107 PolarHBondContact O-N 2.91Å; I103-C107 PolarHBondContact O-SG 3.24Å; I103-C107 VanDerWaalsContact O-SG 3.32Å; K105-C107 PolarHBondContact O-N 3.36Å; C107-V110 PolarHBondContact O-N 3.29Å; C107-A111 WeakPolarHBondContact O-CB 3.1Å; C107-A111 PolarHBondContact O-N 2.92Å
108	A	97.4	Very high	96.3	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-41.6	176.7	0	0	0	0	0	112.2	L76 R104 K105 Q106 A111 L112 F129 M141	L76-A108 HydrophobicContact CD1-CB 4.29Å; L76-A108 HydrophobicContact CD2-CB 4Å; R104-A108 PolarHBondContact O-N 2.85Å; K105-A108 WeakPolarHBondContact O-CB 3.39Å; K105-A108 PolarHBondContact O-N 3.44Å; K105-A108 VanDerWaalsContact O-N 3.11Å; Q106-A108 PolarHBondContact O-N 3.47Å; A108-A111 PolarHBondContact O-N 2.87Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.34Å; A108-L112 PolarHBondContact O-N 2.91Å; A108-F129 HydrophobicContact CB-CZ 4.33Å; A108-M141 HydrophobicContact CB-CE 4.17Å
109	L	97.7	Very high	96.4	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.366	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-45	177.4	-65.9	173.6	0	0	0	111.7	K105 Q106 A111 L112 E113 M141	K105-L109 PolarHBondContact O-N 3.23Å; Q106-L109 PolarHBondContact O-N 2.94Å; Q106-L109 VanDerWaalsContact O-N 3.13Å; L109-A111 PolarHBondContact O-N 2.92Å; L109-L112 PolarHBondContact O-N 2.65Å; L109-E113 PolarHBondContact O-N 2.81Å; L109-M141 HydrophobicContact CD2-CE 4.29Å; L109-M141 HydrophobicContact CD2-SD 4.02Å
110	V	98.3	Very high	96.4	Very high	62 Å²	62	49.8 Å²	49.8	38%	0.376	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-47.6	176.2	174.4	0	0	0	0	110.8	Y79 Q106 C107 L112 E113 D114	Y79-V110 HydrophobicContact CD1-CG1 4.1Å; Y79-V110 HydrophobicContact CE1-CG1 4.07Å; Q106-V110 WeakPolarHBondContact O-CG2 3.38Å; Q106-V110 PolarHBondContact O-N 3.04Å; C107-V110 PolarHBondContact O-N 3.29Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 3.07Å; V110-E113 PolarHBondContact O-N 3.33Å; V110-D114 PolarHBondContact O-N 3.33Å; V110-D114 VanDerWaalsContact O-N 3.09Å
111	A	98.3	Very high	96.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-31.7	178.1	0	0	0	0	0	113	L76 Y79 C107 A108 L109 D114 V115 F129	L76-A111 HydrophobicContact CD1-CB 3.64Å; Y79-A111 HydrophobicContact CD1-CB 4.26Å; Y79-A111 HydrophobicContact CD2-CB 3.98Å; Y79-A111 HydrophobicContact CE1-CB 4.07Å; Y79-A111 HydrophobicContact CE2-CB 3.8Å; Y79-A111 HydrophobicContact CG-CB 4.21Å; C107-A111 WeakPolarHBondContact O-CB 3.1Å; C107-A111 PolarHBondContact O-N 2.92Å; A108-A111 PolarHBondContact O-N 2.87Å; L109-A111 PolarHBondContact O-N 2.92Å; A111-D114 PolarHBondContact O-N 2.97Å; A111-V115 VanDerWaalsContact O-CG2 3.3Å; A111-V115 WeakPolarHBondContact O-CG2 3.48Å; A111-V115 PolarHBondContact O-N 2.77Å; A111-F129 HydrophobicContact CB-CE2 3.75Å; A111-F129 HydrophobicContact CB-CZ 4.43Å
112	L	98.5	Very high	96.7	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-71	-35.8	174.7	-73.4	172.2	0	0	0	112.3	L42 A108 L109 V110 D114 V115 K116 F129 M141 I142 F145	L42-L112 HydrophobicContact CD2-CD2 4.33Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.34Å; A108-L112 PolarHBondContact O-N 2.91Å; L109-L112 PolarHBondContact O-N 2.65Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 3.07Å; L112-D114 VanDerWaalsContact C-N 3.33Å; L112-V115 WeakPolarHBondContact O-CB 3.44Å; L112-V115 PolarHBondContact O-N 3.1Å; L112-K116 PolarHBondContact O-N 2.91Å; L112-F129 HydrophobicContact CD2-CD2 4.08Å; L112-F129 HydrophobicContact CD2-CE2 3.8Å; L112-F129 HydrophobicContact CD2-CZ 4.17Å; L112-F129 HydrophobicContact CG-CE2 3.92Å; L112-F129 HydrophobicContact CG-CZ 4.11Å; L112-M141 HydrophobicContact CD1-CE 3.76Å; L112-I142 HydrophobicContact CD1-CG1 4.36Å; L112-F145 HydrophobicContact CB-CD1 4.45Å; L112-F145 HydrophobicContact CB-CD2 4.14Å; L112-F145 HydrophobicContact CB-CE1 4.27Å; L112-F145 HydrophobicContact CB-CE2 3.93Å; L112-F145 HydrophobicContact CB-CG 4.38Å; L112-F145 HydrophobicContact CB-CZ 4.01Å; L112-F145 HydrophobicContact CD1-CB 4.39Å; L112-F145 HydrophobicContact CD1-CG 4.23Å; L112-F145 HydrophobicContact CD2-CD1 3.8Å; L112-F145 HydrophobicContact CD2-CE1 3.87Å; L112-F145 HydrophobicContact CD2-CG 4.33Å; L112-F145 HydrophobicContact CD2-CZ 4.45Å; L112-F145 HydrophobicContact CG-CD1 4.47Å; L112-F145 WeakPolarHBondContact O-CZ 3.36Å
113	E	98.2	Very high	96.6	Very high	102 Å²	102	54.4 Å²	54.4	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-39.6	171.5	-70.1	-56.5	136.2	0	0	111.4	L109 V110 V115 K116 A117	L109-E113 PolarHBondContact O-N 2.81Å; V110-E113 PolarHBondContact O-N 3.33Å; E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3.33Å; E113-K116 WeakPolarHBondContact O-CB 3.29Å; E113-K116 PolarHBondContact O-N 3.39Å; E113-K116 VanDerWaalsContact O-N 3.13Å; E113-A117 PolarHBondContact O-N 3.11Å
114	D	98.5	Very high	96.6	Very high	63 Å²	63	52.2 Å²	52.2	34%	0.337	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-34.8	174.2	-65.2	-13.9	0	0	0	112.2	F74 Y79 V110 A111 L112 K116 A117 Y118	F74-D114 HydrophobicContact CD1-CB 4.08Å; F74-D114 HydrophobicContact CE1-CB 3.73Å; Y79-D114 WeakPolarHBondContact CE1-OD2 3.46Å; Y79-D114 VanDerWaalsContact CZ-OD2 3.25Å; Y79-D114 PolarHBondContact OH-OD2 3.07Å; V110-D114 PolarHBondContact O-N 3.33Å; V110-D114 VanDerWaalsContact O-N 3.09Å; A111-D114 PolarHBondContact O-N 2.97Å; L112-D114 VanDerWaalsContact C-N 3.33Å; D114-K116 VanDerWaalsContact C-N 3.33Å; D114-A117 PolarHBondContact O-N 3.15Å; D114-Y118 WeakPolarHBondContact O-CB 3.28Å; D114-Y118 PolarHBondContact O-N 3.41Å
115	V	98.5	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-43.7	171.4	163.6	0	0	0	0	110.7	L42 F74 A111 L112 E113 Y118 F119 A127 F129 F145	L42-V115 HydrophobicContact CD1-CG1 3.88Å; L42-V115 HydrophobicContact CD1-CG2 4.37Å; F74-V115 HydrophobicContact CB-CG2 4.26Å; F74-V115 HydrophobicContact CD1-CG2 3.87Å; F74-V115 HydrophobicContact CD2-CG2 3.55Å; F74-V115 HydrophobicContact CE1-CG2 4.06Å; F74-V115 HydrophobicContact CE2-CG2 3.76Å; F74-V115 HydrophobicContact CG-CG2 3.61Å; F74-V115 HydrophobicContact CZ-CG2 4.01Å; A111-V115 VanDerWaalsContact O-CG2 3.3Å; A111-V115 WeakPolarHBondContact O-CG2 3.48Å; A111-V115 PolarHBondContact O-N 2.77Å; L112-V115 WeakPolarHBondContact O-CB 3.44Å; L112-V115 PolarHBondContact O-N 3.1Å; E113-V115 VanDerWaalsContact C-N 3.31Å; E113-V115 PolarHBondContact O-N 3.33Å; V115-Y118 PolarHBondContact O-N 3.39Å; V115-F119 HydrophobicContact CG1-CD2 3.92Å; V115-F119 HydrophobicContact CG1-CE2 3.61Å; V115-F119 HydrophobicContact CG1-CZ 4.34Å; V115-F119 WeakPolarHBondContact O-CD2 3.46Å; V115-F119 PolarHBondContact O-N 3.12Å; V115-F119 VanDerWaalsContact O-N 3.12Å; V115-A127 HydrophobicContact CB-CB 4.43Å; V115-A127 HydrophobicContact CG1-CB 3.79Å; V115-A127 HydrophobicContact CG2-CB 4.02Å; V115-F129 HydrophobicContact CG2-CD2 4.29Å; V115-F145 HydrophobicContact CG1-CE1 4.27Å
116	K	98.1	Very high	96.9	Very high	74 Å²	74	48.7 Å²	48.7	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-52.6	177.3	-177.5	-179.1	173.9	-175.2	0	110.4	L112 E113 D114 Y118 F119 T120 F145 N149 F151	L112-K116 PolarHBondContact O-N 2.91Å; E113-K116 WeakPolarHBondContact O-CB 3.29Å; E113-K116 PolarHBondContact O-N 3.39Å; E113-K116 VanDerWaalsContact O-N 3.13Å; D114-K116 VanDerWaalsContact C-N 3.33Å; K116-Y118 VanDerWaalsContact C-N 3.26Å; K116-Y118 PolarHBondContact O-N 2.9Å; K116-F119 PolarHBondContact O-N 2.85Å; K116-T120 HydrophobicContact CG-CG2 4.41Å; K116-T120 PolarHBondContact O-N 3.47Å; K116-T120 PolarHBondContact O-OG1 3.34Å; K116-F145 HydrophobicContact CB-CE2 4.32Å; K116-F145 HydrophobicContact CB-CZ 3.96Å; K116-N149 WeakPolarHBondContact CD-OD1 3.36Å; K116-N149 VanDerWaalsContact CE-OD1 3.27Å; K116-N149 WeakPolarHBondContact CE-OD1 3.42Å; K116-F151 HydrophobicContact CG-CZ 4.48Å
117	A	98.1	Very high	97	Very high	22 Å²	22	43.4 Å²	43.4	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-55.5	-42.7	177.6	0	0	0	0	0	111.4	E113 D114 F119 T120 E121 E122	E113-A117 PolarHBondContact O-N 3.11Å; D114-A117 PolarHBondContact O-N 3.15Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-F119 PolarHBondContact O-N 2.79Å; A117-T120 PolarHBondContact O-N 3.1Å; A117-E121 WeakPolarHBondContact O-CA 3.39Å; A117-E121 VanDerWaalsContact O-CB 3.26Å; A117-E121 WeakPolarHBondContact O-CB 3.49Å; A117-E121 PolarHBondContact O-N 2.76Å; A117-E122 PolarHBondContact O-N 3.01Å
118	Y	98.2	Very high	97.1	Very high	19 Å²	19	43 Å²	43	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-42	176.5	178.8	-113.4	0	0	0	113.2	P70 T71 K72 F74 D114 V115 K116 E122 G124 I126 A127	P70-Y118 PolarHBondContact O-OH 3.35Å; T71-Y118 WeakPolarHBondContact CA-OH 3.18Å; T71-Y118 PolarHBondContact N-OH 3.49Å; K72-Y118 HydrophobicContact CB-CD1 4.19Å; K72-Y118 HydrophobicContact CB-CD2 4.25Å; K72-Y118 HydrophobicContact CB-CE1 3.73Å; K72-Y118 HydrophobicContact CB-CE2 3.82Å; K72-Y118 HydrophobicContact CB-CG 4.43Å; K72-Y118 HydrophobicContact CD-CD2 3.6Å; K72-Y118 HydrophobicContact CD-CE2 3.73Å; K72-Y118 HydrophobicContact CD-CG 4.1Å; K72-Y118 HydrophobicContact CG-CE2 4.45Å; F74-Y118 HydrophobicContact CE2-CD1 4.17Å; F74-Y118 HydrophobicContact CE2-CG 4.42Å; F74-Y118 HydrophobicContact CZ-CD1 4.18Å; F74-Y118 AromaticContact CZ-CG 3.97Å; F74-Y118 HydrophobicContact CZ-CG 3.97Å; D114-Y118 WeakPolarHBondContact O-CB 3.28Å; D114-Y118 PolarHBondContact O-N 3.41Å; V115-Y118 PolarHBondContact O-N 3.39Å; K116-Y118 VanDerWaalsContact C-N 3.26Å; K116-Y118 PolarHBondContact O-N 2.9Å; Y118-E122 HydrophobicContact CD2-CB 3.81Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 WeakPolarHBondContact CD2-OE2 3.47Å; Y118-E122 HydrophobicContact CE2-CB 4.34Å; Y118-E122 PolarHBondContact O-N 3.33Å; Y118-G124 VanDerWaalsContact CE1-CA 3.42Å; Y118-G124 WeakPolarHBondContact O-CA 3.26Å; Y118-G124 PolarHBondContact O-N 2.94Å; Y118-I126 WeakPolarHBondContact CE1-O 3.49Å; Y118-A127 HydrophobicContact CD1-CB 4.41Å
119	F	96.4	Very high	97.2	Very high	16 Å²	16	43 Å²	43	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-74.6	-38.8	177.6	-68.8	-33	0	0	0	113.7	P40 T41 V115 K116 A117 A127 F151	P40-F119 HydrophobicContact CB-CB 4.19Å; P40-F119 HydrophobicContact CB-CD1 3.66Å; P40-F119 HydrophobicContact CB-CD2 3.93Å; P40-F119 HydrophobicContact CB-CE1 3.87Å; P40-F119 HydrophobicContact CB-CE2 4.11Å; P40-F119 HydrophobicContact CB-CG 3.68Å; P40-F119 HydrophobicContact CB-CZ 4.06Å; P40-F119 HydrophobicContact CG-CB 4.36Å; P40-F119 HydrophobicContact CG-CG 4.38Å; T41-F119 WeakPolarHBondContact O-CZ 3.13Å; V115-F119 HydrophobicContact CG1-CD2 3.92Å; V115-F119 HydrophobicContact CG1-CE2 3.61Å; V115-F119 HydrophobicContact CG1-CZ 4.34Å; V115-F119 WeakPolarHBondContact O-CD2 3.46Å; V115-F119 PolarHBondContact O-N 3.12Å; V115-F119 VanDerWaalsContact O-N 3.12Å; K116-F119 PolarHBondContact O-N 2.85Å; A117-F119 VanDerWaalsContact C-N 3.34Å; A117-F119 PolarHBondContact O-N 2.79Å; F119-A127 HydrophobicContact CE1-CB 3.77Å; F119-A127 HydrophobicContact CE2-CB 3.98Å; F119-A127 HydrophobicContact CZ-CB 3.33Å; F119-A127 VanDerWaalsContact CZ-N 3.31Å; F119-F151 HydrophobicContact CB-CE1 3.95Å; F119-F151 HydrophobicContact CB-CZ 3.95Å; F119-F151 AromaticContact CD2-CD1 3.89Å; F119-F151 HydrophobicContact CD2-CD1 3.89Å; F119-F151 AromaticContact CD2-CD2 3.81Å; F119-F151 HydrophobicContact CD2-CD2 3.81Å; F119-F151 AromaticContact CD2-CE1 3.7Å; F119-F151 HydrophobicContact CD2-CE1 3.7Å; F119-F151 AromaticContact CD2-CE2 3.62Å; F119-F151 HydrophobicContact CD2-CE2 3.62Å; F119-F151 AromaticContact CD2-CG 3.96Å; F119-F151 HydrophobicContact CD2-CG 3.96Å; F119-F151 AromaticContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CE2-CD1 4.37Å; F119-F151 HydrophobicContact CE2-CD2 4Å; F119-F151 HydrophobicContact CE2-CE2 4.23Å; F119-F151 HydrophobicContact CE2-CG 4.08Å; F119-F151 HydrophobicContact CG-CE1 4.23Å; F119-F151 HydrophobicContact CG-CZ 4.25Å
120	T	94.1	Very high	97.2	Very high	86 Å²	86	39.9 Å²	39.9	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-91.5	-28.3	-171.7	55	0	0	0	0	113.7	K116 A117	K116-T120 HydrophobicContact CG-CG2 4.41Å; K116-T120 PolarHBondContact O-N 3.47Å; K116-T120 PolarHBondContact O-OG1 3.34Å; A117-T120 PolarHBondContact O-N 3.1Å
121	E	95.3	Very high	97.1	Very high	151 Å²	151	37.4 Å²	37.4	71%	0.706	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-40.1	-170.6	-56.9	171.4	-155.8	0	0	111.9	A117	A117-E121 WeakPolarHBondContact O-CA 3.39Å; A117-E121 VanDerWaalsContact O-CB 3.26Å; A117-E121 WeakPolarHBondContact O-CB 3.49Å; A117-E121 PolarHBondContact O-N 2.76Å
122	E	94.1	Very high	97	Very high	108 Å²	108	38.8 Å²	38.8	51%	0.505	21%	0.205	S	C	.	.	S	Bend	trans	-91	4.7	-176.4	-58.3	177.9	-138.5	0	0	114	K72 A117 Y118 G124	K72-E122 IonicContact NZ-OE1 3.41Å; K72-E122 PolarHBondContact NZ-OE1 3.26Å; K72-E122 IonicContact NZ-OE2 3.8Å; K72-E122 PolarHBondContact NZ-OE2 3.4Å; A117-E122 PolarHBondContact O-N 3.01Å; Y118-E122 HydrophobicContact CD2-CB 3.81Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 WeakPolarHBondContact CD2-OE2 3.47Å; Y118-E122 HydrophobicContact CE2-CB 4.34Å; Y118-E122 PolarHBondContact O-N 3.33Å; E122-G124 PolarHBondContact O-N 2.89Å
123	S	92.4	Very high	97	Very high	81 Å²	81	38.8 Å²	38.8	57%	0.566	21%	0.205	S	C	*	.			trans	58.4	27	-175.4	-59.5	0	0	0	0	114.7
124	G	95	Very high	97	Very high	5 Å²	5	34.2 Å²	34.2	5%	0.052	18%	0.184	C	C	.	.			trans	-64.1	148.3	172.8	0	0	0	0	0	113	Y118 E122	Y118-G124 VanDerWaalsContact CE1-CA 3.42Å; Y118-G124 WeakPolarHBondContact O-CA 3.26Å; Y118-G124 PolarHBondContact O-N 2.94Å; E122-G124 PolarHBondContact O-N 2.89Å
125	Q	96.4	Very high	97	Very high	41 Å²	41	32.8 Å²	32.8	19%	0.192	18%	0.178	C	C	.	.	S	Bend	trans	-112	-34.3	176.6	-70.5	-172	-15.7	0	0	112.7	S34 T37 P40 T41 V69 P70	S34-Q125 VanDerWaalsContact OG-CD 3.29Å; S34-Q125 PolarHBondContact OG-NE2 2.79Å; S34-Q125 PolarHBondContact OG-OE1 2.64Å; T37-Q125 HydrophobicContact CG2-CB 4.12Å; P40-Q125 VanDerWaalsContact CA-O 3.28Å; P40-Q125 WeakPolarHBondContact CA-O 3.21Å; T41-Q125 PolarHBondContact N-O 2.9Å; V69-Q125 HydrophobicContact CG1-CB 4.11Å; P70-Q125 HydrophobicContact CG-CG 4.49Å; P70-Q125 PolarHBondContact O-N 2.9Å
126	I	98.5	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.3	178.2	-59.4	175.6	0	0	0	111.1	T41 I43 L64 V69 P70 T71 K72 Y118 V128 I236	T41-I126 WeakPolarHBondContact O-CA 3.31Å; I43-I126 HydrophobicContact CD1-CG2 3.55Å; I43-I126 HydrophobicContact CG1-CG2 3.82Å; L64-I126 HydrophobicContact CD1-CD1 3.75Å; L64-I126 HydrophobicContact CD1-CG2 4.24Å; L64-I126 HydrophobicContact CD2-CD1 3.95Å; L64-I126 HydrophobicContact CG-CD1 4.37Å; V69-I126 HydrophobicContact CG1-CD1 3.53Å; V69-I126 HydrophobicContact CG1-CG1 3.93Å; P70-I126 PolarHBondContact O-N 3.2Å; T71-I126 VanDerWaalsContact CA-O 3.23Å; T71-I126 WeakPolarHBondContact CA-O 3.4Å; T71-I126 HydrophobicContact CG2-CB 3.87Å; T71-I126 HydrophobicContact CG2-CG2 3.8Å; K72-I126 PolarHBondContact N-O 3.37Å; K72-I126 VanDerWaalsContact N-O 3.1Å; Y118-I126 WeakPolarHBondContact CE1-O 3.49Å; I126-V128 HydrophobicContact CG2-CG2 4.43Å; I126-I236 HydrophobicContact CD1-CD1 4.19Å; I126-I236 HydrophobicContact CD1-CG1 3.6Å
127	A	98.7	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.9	170.7	0	0	0	0	0	108.9	T41 L42 I43 K72 F74 V115 Y118 F119	T41-A127 PolarHBondContact O-N 3.31Å; T41-A127 VanDerWaalsContact O-N 3.1Å; L42-A127 HydrophobicContact CD1-CB 3.89Å; I43-A127 PolarHBondContact N-O 2.89Å; K72-A127 WeakPolarHBondContact O-CA 3.46Å; F74-A127 HydrophobicContact CD2-CB 3.95Å; F74-A127 HydrophobicContact CE2-CB 3.62Å; V115-A127 HydrophobicContact CB-CB 4.43Å; V115-A127 HydrophobicContact CG1-CB 3.79Å; V115-A127 HydrophobicContact CG2-CB 4.02Å; Y118-A127 HydrophobicContact CD1-CB 4.41Å; F119-A127 HydrophobicContact CE1-CB 3.77Å; F119-A127 HydrophobicContact CE2-CB 3.98Å; F119-A127 HydrophobicContact CZ-CB 3.33Å; F119-A127 VanDerWaalsContact CZ-N 3.31Å
128	V	98.8	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.8	175	-175.1	0	0	0	0	108.8	I43 M45 T61 T71 K72 V73 F74 I126 D130	I43-V128 HydrophobicContact CB-CG2 4.25Å; I43-V128 HydrophobicContact CD1-CG2 4.25Å; I43-V128 HydrophobicContact CG2-CG1 4.39Å; I43-V128 CarbonylContact O-C 3.55Å; I43-V128 WeakPolarHBondContact O-CA 3.39Å; M45-V128 HydrophobicContact CG-CG1 4.11Å; M45-V128 HydrophobicContact SD-CG1 4.09Å; T61-V128 WeakPolarHBondContact OG1-CG2 3.32Å; T71-V128 HydrophobicContact CG2-CG2 3.94Å; K72-V128 PolarHBondContact O-N 3.43Å; V73-V128 WeakPolarHBondContact CA-O 3.34Å; V73-V128 HydrophobicContact CG2-CB 4.25Å; F74-V128 PolarHBondContact N-O 3.35Å; I126-V128 HydrophobicContact CG2-CG2 4.43Å; V128-D130 PolarHBondContact O-N 2.9Å
129	F	98.6	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	92.7	179.3	-163.2	-102.6	0	0	0	110.2	L42 I43 M45 F74 L76 A108 A111 L112 V115 A131 I142	L42-F129 HydrophobicContact CD1-CB 3.94Å; I43-F129 PolarHBondContact O-N 3.04Å; M45-F129 PolarHBondContact N-O 2.85Å; M45-F129 VanDerWaalsContact N-O 3.07Å; F74-F129 HydrophobicContact CB-CD2 4.34Å; L76-F129 HydrophobicContact CD1-CE2 4.38Å; L76-F129 HydrophobicContact CD1-CZ 4Å; A108-F129 HydrophobicContact CB-CZ 4.33Å; A111-F129 HydrophobicContact CB-CE2 3.75Å; A111-F129 HydrophobicContact CB-CZ 4.43Å; L112-F129 HydrophobicContact CD2-CD2 4.08Å; L112-F129 HydrophobicContact CD2-CE2 3.8Å; L112-F129 HydrophobicContact CD2-CZ 4.17Å; L112-F129 HydrophobicContact CG-CE2 3.92Å; L112-F129 HydrophobicContact CG-CZ 4.11Å; V115-F129 HydrophobicContact CG2-CD2 4.29Å; F129-A131 HydrophobicContact CD1-CB 4.47Å; F129-A131 HydrophobicContact CE1-CB 4.24Å; F129-A131 PolarHBondContact O-N 3.17Å; F129-I142 HydrophobicContact CD1-CD1 4.03Å; F129-I142 HydrophobicContact CE1-CD1 3.88Å
130	D	98	Very high	97.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	95.1	-175.6	179.5	21.8	0	0	0	111	M45 T54 V73 F74 N75 L76 V128	M45-D130 HydrophobicContact CG-CB 4.33Å; T54-D130 VanDerWaalsContact CA-OD2 3.26Å; T54-D130 WeakPolarHBondContact CA-OD2 3.44Å; T54-D130 VanDerWaalsContact CB-OD2 3.25Å; T54-D130 WeakPolarHBondContact CB-OD2 3.48Å; T54-D130 WeakPolarHBondContact CG2-OD2 3.27Å; T54-D130 PolarHBondContact OG1-OD2 2.91Å; V73-D130 HydrophobicContact CG1-CB 4.03Å; F74-D130 PolarHBondContact O-N 3.41Å; N75-D130 PolarHBondContact ND2-OD2 2.94Å; L76-D130 PolarHBondContact N-O 2.85Å; V128-D130 PolarHBondContact O-N 2.9Å
131	A	96.8	Very high	97.3	Very high	10 Å²	10	38.1 Å²	38.1	8%	0.083	19%	0.192	C	C	.	.	S	Bend	trans	-145.2	178.8	173	0	0	0	0	0	110.7	K53 L76 F129	K53-A131 VanDerWaalsContact CD-O 3.32Å; K53-A131 WeakPolarHBondContact CD-O 2.98Å; K53-A131 WeakPolarHBondContact CE-O 3.43Å; L76-A131 HydrophobicContact CB-CB 3.75Å; L76-A131 HydrophobicContact CD2-CB 3.8Å; L76-A131 HydrophobicContact CG-CB 4.38Å; F129-A131 HydrophobicContact CD1-CB 4.47Å; F129-A131 HydrophobicContact CE1-CB 4.24Å; F129-A131 PolarHBondContact O-N 3.17Å
132	T	96.8	Very high	97.5	Very high	29 Å²	29	30.9 Å²	30.9	18%	0.178	16%	0.159	C	C	.	.			trans	-71.5	-42.1	176	50.5	0	0	0	0	112.6	I46 G47 P49 T134 Y199	I46-T132 CarbonylContact C-O 3.54Å; I46-T132 WeakPolarHBondContact CA-O 3.45Å; G47-T132 PolarHBondContact N-O 3.25Å; G47-T132 WeakPolarHBondContact O-CA 3.35Å; P49-T132 HydrophobicContact CG-CG2 4.29Å; T132-T134 WeakPolarHBondContact O-CG2 3.35Å; T132-T134 PolarHBondContact O-N 3.01Å; T132-Y199 HydrophobicContact CG2-CD1 4.16Å; T132-Y199 HydrophobicContact CG2-CE1 3.89Å; T132-Y199 WeakPolarHBondContact OG1-CE1 3.05Å
133	N	98.3	Very high	97.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	15%	0.145	C	C	.	.			trans	43.7	37.6	177.9	-56.8	-43.4	0	0	0	114.1	V44 M45 I46 T135 R138 R139	V44-N133 HydrophobicContact CG1-CB 4.32Å; V44-N133 WeakPolarHBondContact CG1-ND2 3.39Å; M45-N133 WeakPolarHBondContact O-CB 3.01Å; M45-N133 PolarHBondContact O-ND2 3.02Å; I46-N133 HydrophobicContact CG1-CB 4.14Å; N133-T135 VanDerWaalsContact C-N 3.34Å; N133-T135 PolarHBondContact O-N 3.04Å; N133-R138 HydrophobicContact CB-CG 4.41Å; N133-R138 WeakPolarHBondContact OD1-CG 3.27Å; N133-R139 PolarHBondContact O-NH1 3.01Å
134	T	98	Very high	98	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.037	14%	0.142	C	C	.	.			trans	-77.1	-14.7	-169.5	43.4	0	0	0	0	114	L48 T132 R139 Y203 Q204	L48-T134 HydrophobicContact CD2-CG2 4.31Å; T132-T134 WeakPolarHBondContact O-CG2 3.35Å; T132-T134 PolarHBondContact O-N 3.01Å; T134-R139 PolarHBondContact O-NH1 3.13Å; T134-Y203 HydrophobicContact CG2-CD2 3.54Å; T134-Y203 HydrophobicContact CG2-CE2 3.91Å; T134-Y203 HydrophobicContact CG2-CG 4.17Å; T134-Q204 PolarHBondContact O-N 3.41Å
135	T	98.2	Very high	98.1	Very high	34 Å²	34	29 Å²	29	21%	0.209	14%	0.143	C	C	.	.	S	Bend	trans	-104.2	147.6	-179.3	67.8	0	0	0	0	111.5	N133 R138 R139	N133-T135 VanDerWaalsContact C-N 3.34Å; N133-T135 PolarHBondContact O-N 3.04Å; T135-R138 PolarHBondContact O-N 3.32Å; T135-R138 WeakPolarHBondContact OG1-CB 3.11Å; T135-R138 PolarHBondContact OG1-N 3.46Å; T135-R139 PolarHBondContact O-N 3.18Å
136	R	98.4	Very high	98.2	Very high	68 Å²	68	27 Å²	27	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-59.8	-45.4	174.5	-72	172.6	177.8	175	-0.1	111.6	R138 R139 D140 Q204 D207 Y211	R136-R138 VanDerWaalsContact C-N 3.27Å; R136-R138 PolarHBondContact O-N 3Å; R136-R139 CarbonylContact O-C 3.53Å; R136-R139 WeakPolarHBondContact O-CA 3.5Å; R136-R139 WeakPolarHBondContact O-CB 3.32Å; R136-R139 PolarHBondContact O-N 3.49Å; R136-D140 VanDerWaalsContact O-CG 3.3Å; R136-D140 PolarHBondContact O-N 3.46Å; R136-Q204 HydrophobicContact CG-CB 4.16Å; R136-D207 IonicContact NH2-OD2 3.41Å; R136-Y211 HydrophobicContact CB-CE1 4.01Å; R136-Y211 HydrophobicContact CG-CD1 4Å; R136-Y211 HydrophobicContact CG-CE1 3.71Å
137	E	97.8	Very high	98.1	Very high	132 Å²	132	35.2 Å²	35.2	62%	0.617	17%	0.17	S	C	*	.	H	α-helix	trans	-51.9	-43.7	177.2	-171.1	-158.2	154.8	0	0	112.5	K105 D140 M141	K105-E137 IonicContact NZ-OE1 3.88Å; E137-D140 PolarHBondContact O-N 3.06Å; E137-M141 PolarHBondContact O-N 3.5Å
138	R	97.8	Very high	98.1	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-40.4	177.8	179.1	58.7	63.1	88.2	2	111.7	N133 T135 R136 M141 I142	N133-R138 HydrophobicContact CB-CG 4.41Å; N133-R138 WeakPolarHBondContact OD1-CG 3.27Å; T135-R138 PolarHBondContact O-N 3.32Å; T135-R138 WeakPolarHBondContact OG1-CB 3.11Å; T135-R138 PolarHBondContact OG1-N 3.46Å; R136-R138 VanDerWaalsContact C-N 3.27Å; R136-R138 PolarHBondContact O-N 3Å; R138-M141 WeakPolarHBondContact O-CB 3.44Å; R138-M141 PolarHBondContact O-N 3.47Å; R138-I142 HydrophobicContact CG-CD1 4.27Å; R138-I142 WeakPolarHBondContact O-CG1 3.36Å; R138-I142 PolarHBondContact O-N 2.98Å
139	R	98.6	Very high	97.9	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-40	178.5	-64.1	-167.9	-62.2	-97.7	15.2	111.4	I46 N133 T134 T135 R136 M141 I142 L143 F155 Q204 D212	I46-R139 VanDerWaalsContact CD1-CD 3.44Å; N133-R139 PolarHBondContact O-NH1 3.01Å; T134-R139 PolarHBondContact O-NH1 3.13Å; T135-R139 PolarHBondContact O-N 3.18Å; R136-R139 CarbonylContact O-C 3.53Å; R136-R139 WeakPolarHBondContact O-CA 3.5Å; R136-R139 WeakPolarHBondContact O-CB 3.32Å; R136-R139 PolarHBondContact O-N 3.49Å; R139-M141 VanDerWaalsContact C-N 3.33Å; R139-M141 PolarHBondContact O-N 2.92Å; R139-I142 PolarHBondContact O-N 3.13Å; R139-I142 VanDerWaalsContact O-N 3.13Å; R139-L143 WeakPolarHBondContact O-CG 3.34Å; R139-L143 PolarHBondContact O-N 3.32Å; R139-F155 HydrophobicContact CB-CE1 4.26Å; R139-F155 HydrophobicContact CB-CZ 4.49Å; R139-F155 HydrophobicContact CG-CE1 4.19Å; R139-Q204 PolarHBondContact NH1-O 3.1Å; R139-Q204 PolarHBondContact NH2-O 2.57Å; R139-D212 IonicContact NH2-OD1 2.79Å; R139-D212 IonicContact NH2-OD2 2.84Å
140	D	98.5	Very high	97.8	Very high	49 Å²	49	48.4 Å²	48.4	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-39.1	175.9	-63.6	-29.2	0	0	0	111.6	R136 E137 I142 L143 N144 Y211	R136-D140 VanDerWaalsContact O-CG 3.3Å; R136-D140 PolarHBondContact O-N 3.46Å; E137-D140 PolarHBondContact O-N 3.06Å; D140-I142 VanDerWaalsContact C-N 3.34Å; D140-I142 PolarHBondContact O-N 2.9Å; D140-L143 PolarHBondContact O-N 3.32Å; D140-N144 WeakPolarHBondContact O-CB 3.27Å; D140-N144 VanDerWaalsContact O-CG 3.25Å; D140-N144 PolarHBondContact O-N 3.31Å; D140-N144 PolarHBondContact O-ND2 3.11Å; D140-N144 VanDerWaalsContact O-ND2 3.12Å; D140-Y211 PolarHBondContact OD2-OH 2.89Å
141	M	98.4	Very high	97.8	Very high	39 Å²	39	49.1 Å²	49.1	19%	0.192	25%	0.25	C	C	.	.	H	α-helix	trans	-57.8	-45.3	171.6	-173.9	-165.7	83.5	0	0	111.8	A108 L109 L112 E137 R138 R139 F145	A108-M141 HydrophobicContact CB-CE 4.17Å; L109-M141 HydrophobicContact CD2-CE 4.29Å; L109-M141 HydrophobicContact CD2-SD 4.02Å; L112-M141 HydrophobicContact CD1-CE 3.76Å; E137-M141 PolarHBondContact O-N 3.5Å; R138-M141 WeakPolarHBondContact O-CB 3.44Å; R138-M141 PolarHBondContact O-N 3.47Å; R139-M141 VanDerWaalsContact C-N 3.33Å; R139-M141 PolarHBondContact O-N 2.92Å; M141-F145 PolarHBondContact O-N 2.97Å; M141-F145 VanDerWaalsContact O-N 3.07Å
142	I	98.6	Very high	97.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-41	179.1	-63.8	164	0	0	0	111.1	L42 V44 L112 F129 R138 R139 D140 F145 A146	L42-I142 HydrophobicContact CD2-CG2 3.62Å; V44-I142 HydrophobicContact CG1-CD1 3.95Å; V44-I142 HydrophobicContact CG2-CG2 3.74Å; L112-I142 HydrophobicContact CD1-CG1 4.36Å; F129-I142 HydrophobicContact CD1-CD1 4.03Å; F129-I142 HydrophobicContact CE1-CD1 3.88Å; R138-I142 HydrophobicContact CG-CD1 4.27Å; R138-I142 WeakPolarHBondContact O-CG1 3.36Å; R138-I142 PolarHBondContact O-N 2.98Å; R139-I142 PolarHBondContact O-N 3.13Å; R139-I142 VanDerWaalsContact O-N 3.13Å; D140-I142 VanDerWaalsContact C-N 3.34Å; D140-I142 PolarHBondContact O-N 2.9Å; I142-F145 PolarHBondContact O-N 3.32Å; I142-A146 WeakPolarHBondContact O-CB 3.44Å; I142-A146 PolarHBondContact O-N 3.12Å
143	L	98.6	Very high	97.9	Very high	42 Å²	42	50.5 Å²	50.5	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-43	176	-74.9	167.4	0	0	0	111.7	R139 D140 A146 K147 V153 F155 L215	R139-L143 WeakPolarHBondContact O-CG 3.34Å; R139-L143 PolarHBondContact O-N 3.32Å; D140-L143 PolarHBondContact O-N 3.32Å; L143-A146 PolarHBondContact O-N 3.35Å; L143-K147 WeakPolarHBondContact O-CB 3.33Å; L143-K147 PolarHBondContact O-N 2.89Å; L143-V153 HydrophobicContact CD2-CB 4.13Å; L143-V153 HydrophobicContact CD2-CG1 4.14Å; L143-V153 HydrophobicContact CD2-CG2 4.16Å; L143-F155 HydrophobicContact CD1-CZ 4.21Å; L143-F155 HydrophobicContact CD2-CE2 3.98Å; L143-F155 HydrophobicContact CD2-CZ 3.86Å; L143-F155 HydrophobicContact CG-CE2 4.48Å; L143-F155 HydrophobicContact CG-CZ 3.94Å; L143-L215 HydrophobicContact CD1-CD1 4.29Å; L143-L215 HydrophobicContact CD1-CD2 3.9Å; L143-L215 HydrophobicContact CD2-CD2 4.18Å
144	N	98.4	Very high	97.9	Very high	93 Å²	93	50.4 Å²	50.4	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-44.7	176.2	-75.4	-33.7	0	0	0	111.6	D140 A146 K147 Q148	D140-N144 WeakPolarHBondContact O-CB 3.27Å; D140-N144 VanDerWaalsContact O-CG 3.25Å; D140-N144 PolarHBondContact O-N 3.31Å; D140-N144 PolarHBondContact O-ND2 3.11Å; D140-N144 VanDerWaalsContact O-ND2 3.12Å; N144-A146 PolarHBondContact O-N 3.31Å; N144-K147 PolarHBondContact O-N 2.93Å; N144-Q148 VanDerWaalsContact O-CG 3.26Å; N144-Q148 WeakPolarHBondContact O-CG 3.45Å; N144-Q148 PolarHBondContact O-N 2.97Å
145	F	98.4	Very high	98	Very high	18 Å²	18	50.2 Å²	50.2	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-47.8	173.1	166.1	-91.4	0	0	0	111.7	L42 L112 V115 K116 M141 I142 K147 Q148 N149 F151	L42-F145 HydrophobicContact CD2-CD1 4.47Å; L112-F145 HydrophobicContact CB-CD1 4.45Å; L112-F145 HydrophobicContact CB-CD2 4.14Å; L112-F145 HydrophobicContact CB-CE1 4.27Å; L112-F145 HydrophobicContact CB-CE2 3.93Å; L112-F145 HydrophobicContact CB-CG 4.38Å; L112-F145 HydrophobicContact CB-CZ 4.01Å; L112-F145 HydrophobicContact CD1-CB 4.39Å; L112-F145 HydrophobicContact CD1-CG 4.23Å; L112-F145 HydrophobicContact CD2-CD1 3.8Å; L112-F145 HydrophobicContact CD2-CE1 3.87Å; L112-F145 HydrophobicContact CD2-CG 4.33Å; L112-F145 HydrophobicContact CD2-CZ 4.45Å; L112-F145 HydrophobicContact CG-CD1 4.47Å; L112-F145 WeakPolarHBondContact O-CZ 3.36Å; V115-F145 HydrophobicContact CG1-CE1 4.27Å; K116-F145 HydrophobicContact CB-CE2 4.32Å; K116-F145 HydrophobicContact CB-CZ 3.96Å; M141-F145 PolarHBondContact O-N 2.97Å; M141-F145 VanDerWaalsContact O-N 3.07Å; I142-F145 PolarHBondContact O-N 3.32Å; F145-K147 PolarHBondContact O-N 3.48Å; F145-Q148 PolarHBondContact O-N 3.42Å; F145-N149 PolarHBondContact O-N 3.25Å; F145-N149 PolarHBondContact O-ND2 3.07Å; F145-F151 AromaticContact CE1-CD2 4Å; F145-F151 HydrophobicContact CE1-CD2 4Å; F145-F151 AromaticContact CE1-CE2 3.97Å; F145-F151 HydrophobicContact CE1-CE2 3.97Å; F145-F151 HydrophobicContact CZ-CE2 4.07Å
146	A	97.9	Very high	98	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-41.9	179.8	0	0	0	0	0	111.9	I142 L143 N144 Q148 N149 A150 F151 V153	I142-A146 WeakPolarHBondContact O-CB 3.44Å; I142-A146 PolarHBondContact O-N 3.12Å; L143-A146 PolarHBondContact O-N 3.35Å; N144-A146 PolarHBondContact O-N 3.31Å; A146-Q148 PolarHBondContact O-N 3.38Å; A146-N149 CarbonylContact O-C 3.53Å; A146-N149 PolarHBondContact O-N 2.91Å; A146-A150 PolarHBondContact O-N 2.91Å; A146-F151 HydrophobicContact CB-CB 4.16Å; A146-F151 PolarHBondContact O-N 3.09Å; A146-V153 HydrophobicContact CB-CG2 3.22Å
147	K	96.8	Very high	98	Very high	172 Å²	172	45.4 Å²	45.4	75%	0.748	23%	0.229	S	C	*	.	H	α-helix	trans	-60.8	-44.2	176.7	-175.5	178.6	179.3	-179.8	0	112.1	L143 N144 F145 N149 A150	L143-K147 WeakPolarHBondContact O-CB 3.33Å; L143-K147 PolarHBondContact O-N 2.89Å; N144-K147 PolarHBondContact O-N 2.93Å; F145-K147 PolarHBondContact O-N 3.48Å; K147-N149 PolarHBondContact O-N 3.13Å; K147-A150 PolarHBondContact O-N 2.96Å
148	Q	97.5	Very high	97.9	Very high	156 Å²	156	39.8 Å²	39.8	73%	0.729	20%	0.204	S	C	*	.	H	α-helix	trans	-62.8	-30.1	178.7	-73.9	169.7	3.5	0	0	112.9	N144 F145 A146	N144-Q148 VanDerWaalsContact O-CG 3.26Å; N144-Q148 WeakPolarHBondContact O-CG 3.45Å; N144-Q148 PolarHBondContact O-N 2.97Å; F145-Q148 PolarHBondContact O-N 3.42Å; A146-Q148 PolarHBondContact O-N 3.38Å
149	N	96.4	Very high	97.8	Very high	42 Å²	42	39.1 Å²	39.1	23%	0.225	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	7.8	-178.9	-63	-82.7	0	0	0	113.4	K116 F145 A146 K147 F151	K116-N149 WeakPolarHBondContact CD-OD1 3.36Å; K116-N149 VanDerWaalsContact CE-OD1 3.27Å; K116-N149 WeakPolarHBondContact CE-OD1 3.42Å; F145-N149 PolarHBondContact O-N 3.25Å; F145-N149 PolarHBondContact O-ND2 3.07Å; A146-N149 CarbonylContact O-C 3.53Å; A146-N149 PolarHBondContact O-N 2.91Å; K147-N149 PolarHBondContact O-N 3.13Å; N149-F151 VanDerWaalsContact C-N 3.27Å; N149-F151 HydrophobicContact CB-CD1 4.21Å; N149-F151 HydrophobicContact CB-CD2 3.64Å; N149-F151 HydrophobicContact CB-CE1 3.88Å; N149-F151 HydrophobicContact CB-CE2 3.27Å; N149-F151 HydrophobicContact CB-CG 4.1Å; N149-F151 HydrophobicContact CB-CZ 3.4Å; N149-F151 VanDerWaalsContact O-CD1 3.3Å; N149-F151 WeakPolarHBondContact O-CD1 3.3Å; N149-F151 VanDerWaalsContact O-CE1 3.31Å; N149-F151 WeakPolarHBondContact O-CE1 3.37Å; N149-F151 PolarHBondContact O-N 3.18Å
150	A	96.1	Very high	97.5	Very high	79 Å²	79	39.3 Å²	39.3	65%	0.653	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	36	-177	0	0	0	0	0	114.5	A146 K147	A146-A150 PolarHBondContact O-N 2.91Å; K147-A150 PolarHBondContact O-N 2.96Å
151	F	97	Very high	97	Very high	20 Å²	20	42.6 Å²	42.6	9%	0.088	22%	0.223	C	C	.	.			trans	-89.4	143.3	173	-53.3	-32.3	0	0	0	110.8	P40 K116 F119 F145 A146 N149	P40-F151 HydrophobicContact CB-CD1 4.03Å; P40-F151 HydrophobicContact CB-CE1 4.44Å; P40-F151 HydrophobicContact CG-CD1 4.35Å; K116-F151 HydrophobicContact CG-CZ 4.48Å; F119-F151 HydrophobicContact CB-CE1 3.95Å; F119-F151 HydrophobicContact CB-CZ 3.95Å; F119-F151 AromaticContact CD2-CD1 3.89Å; F119-F151 HydrophobicContact CD2-CD1 3.89Å; F119-F151 AromaticContact CD2-CD2 3.81Å; F119-F151 HydrophobicContact CD2-CD2 3.81Å; F119-F151 AromaticContact CD2-CE1 3.7Å; F119-F151 HydrophobicContact CD2-CE1 3.7Å; F119-F151 AromaticContact CD2-CE2 3.62Å; F119-F151 HydrophobicContact CD2-CE2 3.62Å; F119-F151 AromaticContact CD2-CG 3.96Å; F119-F151 HydrophobicContact CD2-CG 3.96Å; F119-F151 AromaticContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CD2-CZ 3.56Å; F119-F151 HydrophobicContact CE2-CD1 4.37Å; F119-F151 HydrophobicContact CE2-CD2 4Å; F119-F151 HydrophobicContact CE2-CE2 4.23Å; F119-F151 HydrophobicContact CE2-CG 4.08Å; F119-F151 HydrophobicContact CG-CE1 4.23Å; F119-F151 HydrophobicContact CG-CZ 4.25Å; F145-F151 AromaticContact CE1-CD2 4Å; F145-F151 HydrophobicContact CE1-CD2 4Å; F145-F151 AromaticContact CE1-CE2 3.97Å; F145-F151 HydrophobicContact CE1-CE2 3.97Å; F145-F151 HydrophobicContact CZ-CE2 4.07Å; A146-F151 HydrophobicContact CB-CB 4.16Å; A146-F151 PolarHBondContact O-N 3.09Å; N149-F151 VanDerWaalsContact C-N 3.27Å; N149-F151 HydrophobicContact CB-CD1 4.21Å; N149-F151 HydrophobicContact CB-CD2 3.64Å; N149-F151 HydrophobicContact CB-CE1 3.88Å; N149-F151 HydrophobicContact CB-CE2 3.27Å; N149-F151 HydrophobicContact CB-CG 4.1Å; N149-F151 HydrophobicContact CB-CZ 3.4Å; N149-F151 VanDerWaalsContact O-CD1 3.3Å; N149-F151 WeakPolarHBondContact O-CD1 3.3Å; N149-F151 VanDerWaalsContact O-CE1 3.31Å; N149-F151 WeakPolarHBondContact O-CE1 3.37Å; N149-F151 PolarHBondContact O-N 3.18Å
152	K	97.9	Very high	96.6	Very high	51 Å²	51	43.3 Å²	43.3	22%	0.222	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	152.8	167	-68.6	176.8	175	177	0	109.6	P40 T41 L42 D234	P40-K152 PolarHBondContact O-N 3.04Å; T41-K152 HydrophobicContact CG2-CB 4.31Å; L42-K152 PolarHBondContact N-O 3Å; K152-D234 WeakPolarHBondContact CD-OD2 3.34Å; K152-D234 IonicContact NZ-OD2 2.81Å; K152-D234 PolarHBondContact NZ-OD2 3.32Å
153	V	98.6	Very high	96	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.4	175.8	-176.8	0	0	0	0	109.5	L42 V44 L143 A146 F155	L42-V153 WeakPolarHBondContact O-CA 3.41Å; V44-V153 HydrophobicContact CG2-CG1 3.87Å; L143-V153 HydrophobicContact CD2-CB 4.13Å; L143-V153 HydrophobicContact CD2-CG1 4.14Å; L143-V153 HydrophobicContact CD2-CG2 4.16Å; A146-V153 HydrophobicContact CB-CG2 3.22Å; V153-F155 HydrophobicContact CG1-CD2 4.09Å; V153-F155 HydrophobicContact CG1-CE1 4.09Å; V153-F155 HydrophobicContact CG1-CE2 3.58Å; V153-F155 HydrophobicContact CG1-CZ 3.59Å
154	F	98.8	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.9	173.5	-173.8	-106.7	0	0	0	109.7	T41 L42 I43 V44 V156 S216 I218 Q237 I240 V241	T41-F154 HydrophobicContact CG2-CB 4.28Å; L42-F154 PolarHBondContact O-N 3.25Å; I43-F154 CarbonylContact C-O 3.57Å; I43-F154 VanDerWaalsContact CA-O 3.25Å; I43-F154 WeakPolarHBondContact CA-O 3.45Å; V44-F154 PolarHBondContact N-O 2.8Å; F154-V156 HydrophobicContact CD1-CG2 4.1Å; F154-V156 HydrophobicContact CE1-CG2 4.01Å; F154-S216 WeakPolarHBondContact CA-O 3.38Å; F154-I218 HydrophobicContact CE1-CG2 3.71Å; F154-I218 HydrophobicContact CZ-CB 4.11Å; F154-I218 HydrophobicContact CZ-CG2 3.78Å; F154-Q237 HydrophobicContact CB-CG 4.15Å; F154-Q237 HydrophobicContact CD2-CB 4.17Å; F154-Q237 HydrophobicContact CD2-CG 3.76Å; F154-Q237 HydrophobicContact CE2-CB 4.27Å; F154-Q237 HydrophobicContact CE2-CG 4.36Å; F154-Q237 HydrophobicContact CG-CG 3.94Å; F154-I240 HydrophobicContact CD1-CG2 4.23Å; F154-I240 HydrophobicContact CE1-CB 4.5Å; F154-I240 HydrophobicContact CE1-CG2 3.82Å; F154-V241 HydrophobicContact CE1-CG2 4.44Å; F154-V241 HydrophobicContact CE2-CG2 4.48Å; F154-V241 HydrophobicContact CZ-CG2 3.68Å
155	F	98.9	Very high	94.9	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.6	-178.4	-58.9	-89.8	0	0	0	112	V44 I46 R139 L143 V153 L206 L215 S216 F217 I218	V44-F155 HydrophobicContact CB-CD1 3.51Å; V44-F155 HydrophobicContact CB-CE1 3.76Å; V44-F155 HydrophobicContact CB-CG 4.42Å; V44-F155 HydrophobicContact CG1-CD1 3.72Å; V44-F155 HydrophobicContact CG1-CE1 3.76Å; V44-F155 HydrophobicContact CG2-CD1 4.31Å; V44-F155 HydrophobicContact CG2-CE1 4.16Å; V44-F155 WeakPolarHBondContact O-CA 3.39Å; I46-F155 HydrophobicContact CD1-CB 3.85Å; I46-F155 HydrophobicContact CD1-CD1 3.52Å; I46-F155 HydrophobicContact CD1-CE1 4.36Å; I46-F155 HydrophobicContact CD1-CG 3.97Å; I46-F155 HydrophobicContact CG1-CD1 4.16Å; R139-F155 HydrophobicContact CB-CE1 4.26Å; R139-F155 HydrophobicContact CB-CZ 4.49Å; R139-F155 HydrophobicContact CG-CE1 4.19Å; L143-F155 HydrophobicContact CD1-CZ 4.21Å; L143-F155 HydrophobicContact CD2-CE2 3.98Å; L143-F155 HydrophobicContact CD2-CZ 3.86Å; L143-F155 HydrophobicContact CG-CE2 4.48Å; L143-F155 HydrophobicContact CG-CZ 3.94Å; V153-F155 HydrophobicContact CG1-CD2 4.09Å; V153-F155 HydrophobicContact CG1-CE1 4.09Å; V153-F155 HydrophobicContact CG1-CE2 3.58Å; V153-F155 HydrophobicContact CG1-CZ 3.59Å; F155-L206 HydrophobicContact CB-CD1 3.99Å; F155-L215 HydrophobicContact CD2-CB 4.37Å; F155-L215 HydrophobicContact CD2-CD1 4.34Å; F155-L215 HydrophobicContact CE2-CB 4.29Å; F155-L215 HydrophobicContact CE2-CD1 3.8Å; F155-L215 HydrophobicContact CE2-CD2 4.43Å; F155-L215 HydrophobicContact CE2-CG 4.41Å; F155-L215 HydrophobicContact CZ-CD1 4.39Å; F155-S216 PolarHBondContact N-O 3.33Å; F155-F217 HydrophobicContact CB-CB 3.69Å; F155-F217 CarbonylContact O-C 3.43Å; F155-F217 WeakPolarHBondContact O-CA 3.31Å; F155-F217 WeakPolarHBondContact O-CB 3.49Å; F155-I218 PolarHBondContact O-N 3.29Å
156	V	98.6	Very high	94.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	101.8	171.9	-179.5	0	0	0	0	107.9	I43 V44 M45 I46 V56 F154 I218 L244	I43-V156 HydrophobicContact CG2-CG2 3.77Å; V44-V156 PolarHBondContact O-N 3.36Å; M45-V156 CarbonylContact C-O 3.51Å; M45-V156 WeakPolarHBondContact CA-O 3.47Å; M45-V156 HydrophobicContact CE-CB 3.93Å; M45-V156 HydrophobicContact CE-CG1 3.71Å; M45-V156 HydrophobicContact SD-CB 3.85Å; M45-V156 HydrophobicContact SD-CG1 4.25Å; M45-V156 HydrophobicContact SD-CG2 4.49Å; I46-V156 PolarHBondContact N-O 3.25Å; V56-V156 HydrophobicContact CG1-CG1 4.35Å; F154-V156 HydrophobicContact CD1-CG2 4.1Å; F154-V156 HydrophobicContact CE1-CG2 4.01Å; V156-I218 WeakPolarHBondContact CA-O 3.27Å; V156-I218 HydrophobicContact CB-CG2 4.27Å; V156-I218 HydrophobicContact CG1-CG2 4.18Å; V156-I218 HydrophobicContact CG2-CG2 3.85Å; V156-L244 HydrophobicContact CG1-CD1 3.93Å; V156-L244 HydrophobicContact CG2-CD1 4.02Å
157	E	98.6	Very high	93.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.9	179	-174.7	172.9	-142.3	0	0	110.6	I46 V159 Y203 P205 L206 I218 K219 V220	I46-E157 HydrophobicContact CB-CB 3.91Å; I46-E157 HydrophobicContact CB-CG 3.89Å; I46-E157 HydrophobicContact CG2-CB 4.36Å; I46-E157 HydrophobicContact CG2-CG 3.81Å; I46-E157 WeakPolarHBondContact O-CA 3.34Å; E157-V159 HydrophobicContact CG-CG2 3.91Å; E157-Y203 PolarHBondContact OE1-OH 3.27Å; E157-P205 WeakPolarHBondContact OE1-CA 3.5Å; E157-L206 HydrophobicContact CB-CD1 4.04Å; E157-L206 PolarHBondContact OE1-N 3.43Å; E157-L206 VanDerWaalsContact OE2-CB 3.32Å; E157-L206 WeakPolarHBondContact OE2-CB 3.39Å; E157-L206 WeakPolarHBondContact OE2-CG 3.26Å; E157-L206 PolarHBondContact OE2-N 2.9Å; E157-I218 PolarHBondContact N-O 3.16Å; E157-K219 HydrophobicContact CB-CG 4.21Å; E157-K219 CarbonylContact O-C 3.54Å; E157-K219 WeakPolarHBondContact O-CA 3.32Å; E157-K219 WeakPolarHBondContact OE2-CE 3.3Å; E157-K219 WeakPolarHBondContact OE2-CG 3.48Å; E157-K219 IonicContact OE2-NZ 3.86Å; E157-K219 PolarHBondContact OE2-NZ 2.68Å; E157-V220 PolarHBondContact O-N 3.36Å
158	S	95.9	Very high	93.2	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.3	173.6	-168	0	0	0	0	110.4	I46 R51	I46-S158 PolarHBondContact O-N 3.47Å; R51-S158 WeakPolarHBondContact O-CB 3.45Å; R51-S158 PolarHBondContact O-OG 3.15Å
159	V	95.3	Very high	92.6	Very high	26 Å²	26	38.8 Å²	38.8	16%	0.158	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	178.4	-172.8	0	0	0	0	108.5	E157 V220 I221 N222	E157-V159 HydrophobicContact CG-CG2 3.91Å; V159-V220 PolarHBondContact N-O 3.46Å; V159-I221 HydrophobicContact CB-CG1 4.34Å; V159-I221 CarbonylContact O-C 3.59Å; V159-I221 WeakPolarHBondContact O-CA 3.46Å; V159-N222 PolarHBondContact O-N 3.28Å
160	C	91.5	Very high	92.1	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.034	23%	0.225	C	C	.	.			trans	-147.7	119.6	175.8	-171	0	0	0	0	108.5	R51 V165	R51-C160 HydrophobicContact CG-CB 4.06Å; R51-C160 PolarHBondContact NE-O 3.12Å; C160-V165 VanDerWaalsContact SG-CG1 3.58Å
161	D	89.1	Confident	91.4	Very high	118 Å²	118	38 Å²	38	63%	0.631	22%	0.221	S	C	*	.			trans	-110.8	-3.8	-179.4	-55.1	-37	0	0	0	111.7	P163	D161-P163 WeakPolarHBondContact O-CD 3.21Å
162	D	88.8	Confident	90.5	Very high	54 Å²	54	42.2 Å²	42.2	29%	0.289	24%	0.24	S	C	.	.			trans	-69.2	115.7	173.9	-174.6	-41.4	0	0	0	110.8	D164 V165 I166	D162-D164 VanDerWaalsContact C-N 3.34Å; D162-D164 PolarHBondContact O-N 3.34Å; D162-D164 WeakPolarHBondContact OD1-CB 3.05Å; D162-D164 PolarHBondContact OD1-N 3.03Å; D162-V165 HydrophobicContact CB-CB 4.09Å; D162-V165 HydrophobicContact CB-CG2 3.96Å; D162-V165 PolarHBondContact OD1-N 2.62Å; D162-V165 VanDerWaalsContact OD1-N 3.15Å; D162-I166 VanDerWaalsContact O-CD1 3.29Å; D162-I166 WeakPolarHBondContact O-CD1 3.5Å; D162-I166 WeakPolarHBondContact O-CG1 3.29Å; D162-I166 PolarHBondContact O-N 2.88Å; D162-I166 VanDerWaalsContact O-N 3.12Å
163	P	87.5	Confident	89.4	Confident	90 Å²	90	40.7 Å²	40.7	58%	0.584	24%	0.236	S	C	*	.	H	α-helix	trans	-67.4	-31.7	-176.6	27.9	-34.1	0	0	0	113.1	D161 I166 A167	D161-P163 WeakPolarHBondContact O-CD 3.21Å; P163-I166 PolarHBondContact O-N 2.74Å; P163-A167 WeakPolarHBondContact O-CB 3.43Å; P163-A167 PolarHBondContact O-N 3.46Å
164	D	87.6	Confident	88.4	Confident	126 Å²	126	41.7 Å²	41.7	67%	0.674	24%	0.238	S	C	*	.	H	α-helix	trans	-71.2	-42.1	-178.2	-65	-28.6	0	0	0	110.1	D162 I166 A167 A168	D162-D164 VanDerWaalsContact C-N 3.34Å; D162-D164 PolarHBondContact O-N 3.34Å; D162-D164 WeakPolarHBondContact OD1-CB 3.05Å; D162-D164 PolarHBondContact OD1-N 3.03Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.28Å; D164-A167 PolarHBondContact O-N 2.89Å; D164-A168 WeakPolarHBondContact O-CB 3.45Å; D164-A168 PolarHBondContact O-N 3.32Å
165	V	86.1	Confident	87	Confident	35 Å²	35	42.8 Å²	42.8	21%	0.212	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-43.2	172.5	173.6	0	0	0	0	111.1	C160 D162 A168 N169 V223	C160-V165 VanDerWaalsContact SG-CG1 3.58Å; D162-V165 HydrophobicContact CB-CB 4.09Å; D162-V165 HydrophobicContact CB-CG2 3.96Å; D162-V165 PolarHBondContact OD1-N 2.62Å; D162-V165 VanDerWaalsContact OD1-N 3.15Å; V165-A168 PolarHBondContact O-N 3.42Å; V165-N169 WeakPolarHBondContact O-CB 3.38Å; V165-N169 PolarHBondContact O-N 3.34Å; V165-N169 PolarHBondContact O-ND2 2.96Å; V165-V223 HydrophobicContact CB-CG2 4.46Å; V165-V223 HydrophobicContact CG1-CG2 3.54Å; V165-V223 HydrophobicContact CG2-CG2 4.18Å
166	I	86.9	Confident	85.5	Confident	17 Å²	17	47.1 Å²	47.1	9%	0.087	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-46.4	178.7	-67.6	159.5	0	0	0	110.1	D162 P163 D164 N169 I170 I196	D162-I166 VanDerWaalsContact O-CD1 3.29Å; D162-I166 WeakPolarHBondContact O-CD1 3.5Å; D162-I166 WeakPolarHBondContact O-CG1 3.29Å; D162-I166 PolarHBondContact O-N 2.88Å; D162-I166 VanDerWaalsContact O-N 3.12Å; P163-I166 PolarHBondContact O-N 2.74Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-I166 PolarHBondContact O-N 3.28Å; I166-N169 PolarHBondContact O-N 3.34Å; I166-I170 HydrophobicContact CG2-CD1 3.87Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.38Å; I166-I170 PolarHBondContact O-N 2.7Å; I166-I196 HydrophobicContact CG2-CD1 4.27Å
167	A	86.1	Confident	84.4	Confident	37 Å²	37	47.4 Å²	47.4	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-47.5	178.1	0	0	0	0	0	111.5	P163 D164 N169 I170 L171	P163-A167 WeakPolarHBondContact O-CB 3.43Å; P163-A167 PolarHBondContact O-N 3.46Å; D164-A167 PolarHBondContact O-N 2.89Å; A167-N169 VanDerWaalsContact C-N 3.35Å; A167-N169 PolarHBondContact O-N 3.04Å; A167-I170 PolarHBondContact O-N 3.04Å; A167-I170 VanDerWaalsContact O-N 3.16Å; A167-L171 WeakPolarHBondContact O-CG 3.11Å; A167-L171 PolarHBondContact O-N 2.98Å
168	A	84.8	Confident	83.3	Confident	53 Å²	53	52.6 Å²	52.6	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-57.5	-46.1	176.2	0	0	0	0	0	111.8	D164 V165 I170 L171 E172	D164-A168 WeakPolarHBondContact O-CB 3.45Å; D164-A168 PolarHBondContact O-N 3.32Å; V165-A168 PolarHBondContact O-N 3.42Å; A168-I170 VanDerWaalsContact C-N 3.34Å; A168-I170 PolarHBondContact O-N 3.36Å; A168-L171 PolarHBondContact O-N 3.41Å; A168-E172 WeakPolarHBondContact O-CB 3.44Å; A168-E172 PolarHBondContact O-N 2.87Å
169	N	84.9	Confident	82.3	Confident	28 Å²	28	52.3 Å²	52.3	15%	0.15	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-39.3	176.9	-73.6	-23.6	0	0	0	112.4	A50 V165 I166 A167 V173	A50-N169 HydrophobicContact CB-CB 4.22Å; A50-N169 PolarHBondContact O-ND2 3.31Å; V165-N169 WeakPolarHBondContact O-CB 3.38Å; V165-N169 PolarHBondContact O-N 3.34Å; V165-N169 PolarHBondContact O-ND2 2.96Å; I166-N169 PolarHBondContact O-N 3.34Å; A167-N169 VanDerWaalsContact C-N 3.35Å; A167-N169 PolarHBondContact O-N 3.04Å; N169-V173 WeakPolarHBondContact O-CG2 3.38Å; N169-V173 PolarHBondContact O-N 3.05Å
170	I	84.8	Confident	81.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-46.6	177.8	-65.8	165.9	0	0	0	109.9	A50 I166 A167 A168 K174 V175 M189 F192 L193 I196	A50-I170 HydrophobicContact CB-CD1 4.47Å; A50-I170 HydrophobicContact CB-CG1 3.68Å; I166-I170 HydrophobicContact CG2-CD1 3.87Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.38Å; I166-I170 PolarHBondContact O-N 2.7Å; A167-I170 PolarHBondContact O-N 3.04Å; A167-I170 VanDerWaalsContact O-N 3.16Å; A168-I170 VanDerWaalsContact C-N 3.34Å; A168-I170 PolarHBondContact O-N 3.36Å; I170-K174 HydrophobicContact CG2-CB 4.13Å; I170-K174 WeakPolarHBondContact O-CA 3.38Å; I170-K174 VanDerWaalsContact O-CB 3.29Å; I170-K174 WeakPolarHBondContact O-CB 3.48Å; I170-K174 PolarHBondContact O-N 3.15Å; I170-V175 PolarHBondContact O-N 2.85Å; I170-M189 HydrophobicContact CB-CE 3.81Å; I170-M189 HydrophobicContact CB-SD 3.98Å; I170-M189 HydrophobicContact CD1-SD 3.74Å; I170-M189 HydrophobicContact CG1-SD 4.47Å; I170-M189 HydrophobicContact CG2-CE 3.53Å; I170-M189 HydrophobicContact CG2-SD 3.55Å; I170-M189 VanDerWaalsContact CG2-SD 3.55Å; I170-F192 HydrophobicContact CD1-CD1 3.85Å; I170-F192 HydrophobicContact CG1-CD1 3.71Å; I170-F192 HydrophobicContact CG1-CE1 4.1Å; I170-F192 HydrophobicContact CG2-CB 4.35Å; I170-F192 HydrophobicContact CG2-CD1 4.4Å; I170-F192 HydrophobicContact CG2-CG 4.45Å; I170-L193 HydrophobicContact CD1-CD2 4.04Å; I170-I196 HydrophobicContact CD1-CD1 4.08Å
171	L	82.4	Confident	80.4	Confident	105 Å²	105	56.4 Å²	56.4	55%	0.55	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-44.7	179.7	-69.2	174.4	0	0	0	112.3	A167 A168 V175 M189	A167-L171 WeakPolarHBondContact O-CG 3.11Å; A167-L171 PolarHBondContact O-N 2.98Å; A168-L171 PolarHBondContact O-N 3.41Å; L171-V175 HydrophobicContact CD2-CG2 4.13Å; L171-M189 HydrophobicContact CD2-CE 3.65Å; L171-M189 HydrophobicContact CG-CE 3.73Å
172	E	77.6	Confident	79.1	Confident	108 Å²	108	58.8 Å²	58.8	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-45.5	-175.7	-169.7	-175.3	173.8	0	0	112.3	A168 S176 A429	A168-E172 WeakPolarHBondContact O-CB 3.44Å; A168-E172 PolarHBondContact O-N 2.87Å; E172-S176 PolarHBondContact O-OG 3.3Å; E172-A429 HydrophobicContact CG-CB 4.43Å; E172-A429 WeakPolarHBondContact OE1-CB 3.35Å; E172-A429 PolarHBondContact OE1-N 3.4Å
173	V	75.7	Confident	77.6	Confident	20 Å²	20	67.5 Å²	67.5	12%	0.121	37%	0.369	C	S	.	.	H	α-helix	trans	-118.9	-13.6	-167.4	-61.7	0	0	0	0	116.3	N169 A429 Y430	N169-V173 WeakPolarHBondContact O-CG2 3.38Å; N169-V173 PolarHBondContact O-N 3.05Å; V173-A429 HydrophobicContact CG1-CB 3.11Å; V173-Y430 HydrophobicContact CB-CE2 4.06Å; V173-Y430 WeakPolarHBondContact CB-OH 3.43Å; V173-Y430 HydrophobicContact CG1-CE2 3.93Å
174	K	76.3	Confident	76.4	Confident	37 Å²	37	67.2 Å²	67.2	16%	0.161	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-29.5	-176.7	-57	-54	175.5	-165.3	0	113.1	I170 S176 S177 Y180 F192	I170-K174 HydrophobicContact CG2-CB 4.13Å; I170-K174 WeakPolarHBondContact O-CA 3.38Å; I170-K174 VanDerWaalsContact O-CB 3.29Å; I170-K174 WeakPolarHBondContact O-CB 3.48Å; I170-K174 PolarHBondContact O-N 3.15Å; K174-S176 PolarHBondContact O-N 3.49Å; K174-S177 VanDerWaalsContact O-CB 3.25Å; K174-S177 WeakPolarHBondContact O-CB 3.48Å; K174-S177 PolarHBondContact O-N 3.35Å; K174-S177 VanDerWaalsContact O-N 3.15Å; K174-Y180 WeakPolarHBondContact O-CD2 3.29Å; K174-F192 HydrophobicContact CB-CD2 4.18Å; K174-F192 HydrophobicContact CB-CE2 4.19Å; K174-F192 HydrophobicContact CD-CE2 3.74Å; K174-F192 HydrophobicContact CD-CZ 3.89Å; K174-F192 HydrophobicContact CG-CD2 4.13Å; K174-F192 HydrophobicContact CG-CE1 4.17Å; K174-F192 HydrophobicContact CG-CE2 3.67Å; K174-F192 HydrophobicContact CG-CZ 3.69Å
175	V	68.7	Low	75.3	Confident	23 Å²	23	69.3 Å²	69.3	14%	0.139	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.4	171.9	179	0	0	0	0	112	I170 L171 R185	I170-V175 PolarHBondContact O-N 2.85Å; L171-V175 HydrophobicContact CD2-CG2 4.13Å; V175-R185 HydrophobicContact CG1-CB 3.98Å; V175-R185 HydrophobicContact CG1-CG 3.57Å
176	S	67.4	Low	74.4	Confident	92 Å²	92	76.2 Å²	76.2	64%	0.643	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	8.8	176.4	57	0	0	0	0	113.7	E172 K174	E172-S176 PolarHBondContact O-OG 3.3Å; K174-S176 PolarHBondContact O-N 3.49Å
177	S	76	Confident	74	Confident	8 Å²	8	79.9 Å²	79.9	6%	0.056	41%	0.411	C	S	.	.	S	Bend	trans	-74.8	142.8	-177.5	171.2	0	0	0	0	111.2	K174 D179 Y180	K174-S177 VanDerWaalsContact O-CB 3.25Å; K174-S177 WeakPolarHBondContact O-CB 3.48Å; K174-S177 PolarHBondContact O-N 3.35Å; K174-S177 VanDerWaalsContact O-N 3.15Å; S177-D179 PolarHBondContact O-N 3.29Å; S177-D179 PolarHBondContact OG-N 3.46Å; S177-Y180 PolarHBondContact O-N 2.89Å; S177-Y180 VanDerWaalsContact O-O 3.09Å
178	P	75.4	Confident	73.9	Confident	109 Å²	109	78.3 Å²	78.3	71%	0.708	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.2	173	-23	32.8	0	0	0	114.7	Y180	P178-Y180 PolarHBondContact O-N 3.22Å
179	D	74.6	Confident	73.8	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.043	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.9	171.6	-75.8	17.9	0	0	0	111.8	R80 R81 Y87 S177 R195	R80-D179 IonicContact CZ-OD1 2.85Å; R80-D179 IonicContact CZ-OD2 2.8Å; R80-D179 IonicContact NH1-OD1 3.71Å; R80-D179 PolarHBondContact NH1-OD1 2.72Å; R80-D179 IonicContact NH1-OD2 3.04Å; R80-D179 PolarHBondContact NH1-OD2 2.75Å; R80-D179 IonicContact NH2-OD1 2.77Å; R80-D179 PolarHBondContact NH2-OD1 2.82Å; R80-D179 IonicContact NH2-OD2 3.32Å; R80-D179 PolarHBondContact NH2-OD2 3.08Å; R81-D179 WeakPolarHBondContact CD-OD1 3.43Å; R81-D179 WeakPolarHBondContact CG-OD1 3.48Å; R81-D179 IonicContact CZ-OD1 3.98Å; R81-D179 IonicContact NE-OD1 2.76Å; R81-D179 IonicContact NH1-OD1 3.65Å; R81-D179 PolarHBondContact NH1-OD1 3.05Å; Y87-D179 WeakPolarHBondContact CD1-O 3.13Å; S177-D179 PolarHBondContact O-N 3.29Å; S177-D179 PolarHBondContact OG-N 3.46Å; D179-R195 IonicContact OD2-CZ 2.88Å; D179-R195 IonicContact OD2-NH1 2.62Å; D179-R195 PolarHBondContact OD2-NH1 3.46Å; D179-R195 IonicContact OD2-NH2 2.92Å
180	Y	77.3	Confident	73.9	Confident	21 Å²	21	81.5 Å²	81.5	8%	0.082	40%	0.403	C	S	.	.	S	Bend	trans	-127.3	126.5	-175.8	-63.9	-79.7	0	0	0	111.6	Y87 K174 S177 P178 V188 D191 F192	Y87-Y180 HydrophobicContact CD1-CE1 4.29Å; Y87-Y180 HydrophobicContact CE1-CD1 4.24Å; Y87-Y180 AromaticContact CE1-CE1 3.59Å; Y87-Y180 HydrophobicContact CE1-CE1 3.59Å; Y87-Y180 AromaticContact CE1-CZ 3.84Å; Y87-Y180 PolarHBondContact OH-OH 2.83Å; K174-Y180 WeakPolarHBondContact O-CD2 3.29Å; S177-Y180 PolarHBondContact O-N 2.89Å; S177-Y180 VanDerWaalsContact O-O 3.09Å; P178-Y180 PolarHBondContact O-N 3.22Å; Y180-V188 HydrophobicContact CD1-CB 4.11Å; Y180-V188 HydrophobicContact CD1-CG1 3.87Å; Y180-V188 HydrophobicContact CD1-CG2 3.58Å; Y180-V188 HydrophobicContact CD2-CG1 3.59Å; Y180-V188 HydrophobicContact CD2-CG2 4.4Å; Y180-V188 HydrophobicContact CE1-CB 4.4Å; Y180-V188 HydrophobicContact CE1-CG1 4.02Å; Y180-V188 HydrophobicContact CE1-CG2 4.33Å; Y180-V188 HydrophobicContact CE2-CG1 3.79Å; Y180-V188 HydrophobicContact CG-CB 4.21Å; Y180-V188 HydrophobicContact CG-CG1 3.64Å; Y180-V188 HydrophobicContact CG-CG2 3.62Å; Y180-D191 HydrophobicContact CE1-CB 4.19Å; Y180-D191 VanDerWaalsContact CE1-OD2 3.24Å; Y180-D191 WeakPolarHBondContact CE1-OD2 3.46Å; Y180-D191 PolarHBondContact OH-OD2 3.19Å; Y180-F192 AromaticContact CE2-CD2 3.82Å; Y180-F192 HydrophobicContact CE2-CD2 3.82Å; Y180-F192 HydrophobicContact CE2-CE2 4.5Å; Y180-F192 WeakPolarHBondContact OH-CD2 3.21Å
181	P	70.6	Confident	74.1	Confident	95 Å²	95	82.5 Å²	82.5	62%	0.617	41%	0.409	S	S	*	.			trans	-69.9	145.7	174	22	-24.1	0	0	0	111.7	R183	P181-R183 PolarHBondContact O-N 2.81Å
182	E	61.4	Low	74.5	Confident	168 Å²	168	77.7 Å²	77.7	79%	0.785	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-54.8	-22.7	-170.8	-73.6	-169.6	146.5	0	0	115.7	N184	E182-N184 VanDerWaalsContact C-N 3.33Å; E182-N184 PolarHBondContact O-N 3.45Å
183	R	58.6	Low	75.1	Confident	237 Å²	237	76.2 Å²	76.2	89%	0.894	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-76.8	-8.4	-168.6	-64.4	-175	178.9	-174.9	-0.8	115.3	P181	P181-R183 PolarHBondContact O-N 2.81Å
184	N	62.2	Low	75.9	Confident	85 Å²	85	79 Å²	79	46%	0.455	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-129.7	37.5	-166.1	-77.3	-11.4	0	0	0	115.3	E182 E186 N187 V188	E182-N184 VanDerWaalsContact C-N 3.33Å; E182-N184 PolarHBondContact O-N 3.45Å; N184-E186 VanDerWaalsContact C-N 3.28Å; N184-E186 PolarHBondContact O-N 3.01Å; N184-E186 VanDerWaalsContact O-N 3.11Å; N184-N187 HydrophobicContact CB-CB 4.38Å; N184-N187 PolarHBondContact O-N 3.34Å; N184-V188 WeakPolarHBondContact O-CG2 3.25Å; N184-V188 PolarHBondContact O-N 2.89Å
185	R	64.1	Low	76.7	Confident	170 Å²	170	78.5 Å²	78.5	64%	0.642	39%	0.386	S	S	*	.	H	α-helix	trans	-52.5	-37.8	-171.9	-62.6	-170.3	174.5	173.8	0.7	115.2	V175 V188	V175-R185 HydrophobicContact CG1-CB 3.98Å; V175-R185 HydrophobicContact CG1-CG 3.57Å; R185-V188 PolarHBondContact O-N 2.99Å
186	E	66.6	Low	77.9	Confident	179 Å²	179	77.5 Å²	77.5	84%	0.836	38%	0.38	S	S	*	.	H	α-helix	trans	-66.8	-37.8	179.1	-68.5	172.8	-176.5	0	0	112.1	N184	N184-E186 VanDerWaalsContact C-N 3.28Å; N184-E186 PolarHBondContact O-N 3.01Å; N184-E186 VanDerWaalsContact O-N 3.11Å
187	N	79.7	Confident	79.2	Confident	94 Å²	94	77.6 Å²	77.6	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-77.5	-21.6	179	-59.8	-9.5	0	0	0	112.8	N184 M189 D191	N184-N187 HydrophobicContact CB-CB 4.38Å; N184-N187 PolarHBondContact O-N 3.34Å; N187-M189 VanDerWaalsContact C-N 3.34Å; N187-M189 PolarHBondContact O-N 3.18Å; N187-D191 WeakPolarHBondContact O-CB 3.34Å; N187-D191 PolarHBondContact O-N 3.38Å; N187-D191 VanDerWaalsContact O-N 3.11Å
188	V	83	Confident	80.1	Confident	4 Å²	4	78 Å²	78	2%	0.024	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-42.5	178.9	174.5	0	0	0	0	111.1	Y180 N184 R185 F192	Y180-V188 HydrophobicContact CD1-CB 4.11Å; Y180-V188 HydrophobicContact CD1-CG1 3.87Å; Y180-V188 HydrophobicContact CD1-CG2 3.58Å; Y180-V188 HydrophobicContact CD2-CG1 3.59Å; Y180-V188 HydrophobicContact CD2-CG2 4.4Å; Y180-V188 HydrophobicContact CE1-CB 4.4Å; Y180-V188 HydrophobicContact CE1-CG1 4.02Å; Y180-V188 HydrophobicContact CE1-CG2 4.33Å; Y180-V188 HydrophobicContact CE2-CG1 3.79Å; Y180-V188 HydrophobicContact CG-CB 4.21Å; Y180-V188 HydrophobicContact CG-CG1 3.64Å; Y180-V188 HydrophobicContact CG-CG2 3.62Å; N184-V188 WeakPolarHBondContact O-CG2 3.25Å; N184-V188 PolarHBondContact O-N 2.89Å; R185-V188 PolarHBondContact O-N 2.99Å; V188-F192 WeakPolarHBondContact O-CB 3.49Å; V188-F192 PolarHBondContact O-N 3.48Å
189	M	83.8	Confident	81.1	Confident	44 Å²	44	73.8 Å²	73.8	22%	0.217	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-49.4	-178.8	-178.8	62.1	71.3	0	0	110.8	I170 L171 N187 F192 L193	I170-M189 HydrophobicContact CB-CE 3.81Å; I170-M189 HydrophobicContact CB-SD 3.98Å; I170-M189 HydrophobicContact CD1-SD 3.74Å; I170-M189 HydrophobicContact CG1-SD 4.47Å; I170-M189 HydrophobicContact CG2-CE 3.53Å; I170-M189 HydrophobicContact CG2-SD 3.55Å; I170-M189 VanDerWaalsContact CG2-SD 3.55Å; L171-M189 HydrophobicContact CD2-CE 3.65Å; L171-M189 HydrophobicContact CG-CE 3.73Å; N187-M189 VanDerWaalsContact C-N 3.34Å; N187-M189 PolarHBondContact O-N 3.18Å; M189-F192 PolarHBondContact O-N 3.01Å; M189-L193 HydrophobicContact CG-CD1 4.08Å; M189-L193 WeakPolarHBondContact O-CB 3.46Å; M189-L193 VanDerWaalsContact O-CG 3.31Å; M189-L193 WeakPolarHBondContact O-CG 3.18Å; M189-L193 PolarHBondContact O-N 2.69Å; M189-L193 HydrophobicContact SD-CD1 4.24Å; M189-L193 HydrophobicContact SD-CG 4.24Å
190	E	86.7	Confident	82.1	Confident	104 Å²	104	78 Å²	78	49%	0.486	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-47.8	-179.3	-168.7	-170.6	163.1	0	0	111.9	F192 L193 K194	E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.75Å; E190-L193 PolarHBondContact O-N 3.19Å; E190-K194 WeakPolarHBondContact O-CG 3.46Å; E190-K194 PolarHBondContact O-N 3.38Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.44Å; E190-K194 IonicContact OE1-NZ 2.77Å; E190-K194 PolarHBondContact OE1-NZ 3.47Å
191	D	88.8	Confident	83	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-60.3	-42.6	176.5	180	79.3	0	0	0	111.6	Y87 S89 Y90 Y180 N187 K194 R195	Y87-D191 WeakPolarHBondContact CE1-OD2 3.08Å; Y87-D191 PolarHBondContact OH-OD2 3.3Å; S89-D191 WeakPolarHBondContact CA-OD1 3.25Å; Y90-D191 WeakPolarHBondContact CD1-OD1 3.26Å; Y90-D191 PolarHBondContact N-OD1 2.96Å; Y180-D191 HydrophobicContact CE1-CB 4.19Å; Y180-D191 VanDerWaalsContact CE1-OD2 3.24Å; Y180-D191 WeakPolarHBondContact CE1-OD2 3.46Å; Y180-D191 PolarHBondContact OH-OD2 3.19Å; N187-D191 WeakPolarHBondContact O-CB 3.34Å; N187-D191 PolarHBondContact O-N 3.38Å; N187-D191 VanDerWaalsContact O-N 3.11Å; D191-K194 PolarHBondContact O-N 3.12Å; D191-R195 WeakPolarHBondContact O-CB 3.39Å; D191-R195 PolarHBondContact O-N 2.91Å
192	F	89.5	Confident	84.2	Confident	3 Å²	3	79.4 Å²	79.4	1%	0.013	37%	0.37	C	S	.	.	H	α-helix	trans	-70.3	-34.5	-178.6	-156.9	-86.4	0	0	0	112.6	P49 A50 I170 K174 Y180 V188 M189 E190 R195 I196	P49-F192 HydrophobicContact CB-CE1 3.68Å; P49-F192 HydrophobicContact CB-CZ 3.6Å; A50-F192 HydrophobicContact CB-CD1 4.44Å; A50-F192 HydrophobicContact CB-CE1 3.6Å; A50-F192 HydrophobicContact CB-CZ 4.32Å; I170-F192 HydrophobicContact CD1-CD1 3.85Å; I170-F192 HydrophobicContact CG1-CD1 3.71Å; I170-F192 HydrophobicContact CG1-CE1 4.1Å; I170-F192 HydrophobicContact CG2-CB 4.35Å; I170-F192 HydrophobicContact CG2-CD1 4.4Å; I170-F192 HydrophobicContact CG2-CG 4.45Å; K174-F192 HydrophobicContact CB-CD2 4.18Å; K174-F192 HydrophobicContact CB-CE2 4.19Å; K174-F192 HydrophobicContact CD-CE2 3.74Å; K174-F192 HydrophobicContact CD-CZ 3.89Å; K174-F192 HydrophobicContact CG-CD2 4.13Å; K174-F192 HydrophobicContact CG-CE1 4.17Å; K174-F192 HydrophobicContact CG-CE2 3.67Å; K174-F192 HydrophobicContact CG-CZ 3.69Å; Y180-F192 AromaticContact CE2-CD2 3.82Å; Y180-F192 HydrophobicContact CE2-CD2 3.82Å; Y180-F192 HydrophobicContact CE2-CE2 4.5Å; Y180-F192 WeakPolarHBondContact OH-CD2 3.21Å; V188-F192 WeakPolarHBondContact O-CB 3.49Å; V188-F192 PolarHBondContact O-N 3.48Å; M189-F192 PolarHBondContact O-N 3.01Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.75Å; F192-R195 WeakPolarHBondContact O-CB 3.3Å; F192-R195 PolarHBondContact O-N 3.26Å; F192-I196 HydrophobicContact CD1-CD1 3.78Å; F192-I196 HydrophobicContact CD1-CG1 4.18Å; F192-I196 HydrophobicContact CE1-CD1 3.92Å; F192-I196 HydrophobicContact CE1-CG1 4.12Å; F192-I196 WeakPolarHBondContact O-CG1 3.46Å; F192-I196 PolarHBondContact O-N 3.31Å
193	L	89.9	Confident	86	Confident	78 Å²	78	73.5 Å²	73.5	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-47.1	172	-72.4	173.1	0	0	0	110.8	I170 M189 E190 R195 I196 E197	I170-L193 HydrophobicContact CD1-CD2 4.04Å; M189-L193 HydrophobicContact CG-CD1 4.08Å; M189-L193 WeakPolarHBondContact O-CB 3.46Å; M189-L193 VanDerWaalsContact O-CG 3.31Å; M189-L193 WeakPolarHBondContact O-CG 3.18Å; M189-L193 PolarHBondContact O-N 2.69Å; M189-L193 HydrophobicContact SD-CD1 4.24Å; M189-L193 HydrophobicContact SD-CG 4.24Å; E190-L193 PolarHBondContact O-N 3.19Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 2.69Å; L193-I196 HydrophobicContact CD2-CD1 4.43Å; L193-I196 WeakPolarHBondContact O-CB 3.2Å; L193-I196 PolarHBondContact O-N 3.04Å; L193-E197 PolarHBondContact O-N 2.91Å
194	K	92.8	Very high	87.9	Confident	78 Å²	78	65.9 Å²	65.9	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-40	174.4	-69.5	176.9	-173.5	168	0	112	Y90 E190 D191 I196 E197 C198	Y90-K194 HydrophobicContact CD1-CB 3.83Å; Y90-K194 HydrophobicContact CD1-CD 3.85Å; Y90-K194 HydrophobicContact CD1-CG 4.49Å; Y90-K194 HydrophobicContact CD2-CB 3.73Å; Y90-K194 HydrophobicContact CE1-CB 4.22Å; Y90-K194 HydrophobicContact CE1-CD 3.51Å; Y90-K194 HydrophobicContact CE1-CG 4.49Å; Y90-K194 HydrophobicContact CE2-CB 4.09Å; Y90-K194 HydrophobicContact CE2-CD 4.34Å; Y90-K194 HydrophobicContact CG-CB 3.59Å; Y90-K194 HydrophobicContact CG-CD 4.42Å; E190-K194 WeakPolarHBondContact O-CG 3.46Å; E190-K194 PolarHBondContact O-N 3.38Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.44Å; E190-K194 IonicContact OE1-NZ 2.77Å; E190-K194 PolarHBondContact OE1-NZ 3.47Å; D191-K194 PolarHBondContact O-N 3.12Å; K194-I196 VanDerWaalsContact C-N 3.32Å; K194-I196 PolarHBondContact O-N 2.82Å; K194-E197 WeakPolarHBondContact O-CB 3.4Å; K194-E197 PolarHBondContact O-N 3.45Å; K194-E197 VanDerWaalsContact O-N 3.16Å; K194-C198 PolarHBondContact O-N 3.3Å; K194-C198 PolarHBondContact O-SG 3.17Å; K194-C198 VanDerWaalsContact O-SG 3.34Å
195	R	93.3	Very high	89.6	Confident	26 Å²	26	64.7 Å²	64.7	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-41.9	172.6	174	179.9	-179.4	173.6	3.1	111.9	F93 D179 D191 F192 L193 E197 C198 Y199	F93-R195 HydrophobicContact CB-CG 4.26Å; F93-R195 HydrophobicContact CD2-CB 4.29Å; F93-R195 VanDerWaalsContact CD2-CD 3.46Å; F93-R195 HydrophobicContact CD2-CG 3.49Å; F93-R195 VanDerWaalsContact CD2-CG 3.49Å; F93-R195 HydrophobicContact CE2-CG 3.99Å; F93-R195 HydrophobicContact CG-CG 3.96Å; D179-R195 IonicContact OD2-CZ 2.88Å; D179-R195 IonicContact OD2-NH1 2.62Å; D179-R195 PolarHBondContact OD2-NH1 3.46Å; D179-R195 IonicContact OD2-NH2 2.92Å; D191-R195 WeakPolarHBondContact O-CB 3.39Å; D191-R195 PolarHBondContact O-N 2.91Å; F192-R195 WeakPolarHBondContact O-CB 3.3Å; F192-R195 PolarHBondContact O-N 3.26Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 2.69Å; R195-E197 VanDerWaalsContact C-N 3.34Å; R195-C198 WeakPolarHBondContact O-CB 3.08Å; R195-C198 PolarHBondContact O-N 2.96Å; R195-Y199 HydrophobicContact CG-CE2 4.23Å; R195-Y199 VanDerWaalsContact O-CD2 3.27Å; R195-Y199 WeakPolarHBondContact O-CD2 3.5Å
196	I	93.8	Very high	91.2	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-44.8	175.3	-71.6	159.9	0	0	0	110.3	P49 I166 I170 F192 L193 K194 C198 Y199 K200	P49-I196 HydrophobicContact CB-CG1 3.94Å; P49-I196 HydrophobicContact CG-CG1 4.25Å; I166-I196 HydrophobicContact CG2-CD1 4.27Å; I170-I196 HydrophobicContact CD1-CD1 4.08Å; F192-I196 HydrophobicContact CD1-CD1 3.78Å; F192-I196 HydrophobicContact CD1-CG1 4.18Å; F192-I196 HydrophobicContact CE1-CD1 3.92Å; F192-I196 HydrophobicContact CE1-CG1 4.12Å; F192-I196 WeakPolarHBondContact O-CG1 3.46Å; F192-I196 PolarHBondContact O-N 3.31Å; L193-I196 HydrophobicContact CD2-CD1 4.43Å; L193-I196 WeakPolarHBondContact O-CB 3.2Å; L193-I196 PolarHBondContact O-N 3.04Å; K194-I196 VanDerWaalsContact C-N 3.32Å; K194-I196 PolarHBondContact O-N 2.82Å; I196-C198 VanDerWaalsContact C-N 3.29Å; I196-C198 PolarHBondContact O-N 2.8Å; I196-Y199 PolarHBondContact O-N 2.81Å; I196-K200 HydrophobicContact CG2-CG 4.46Å; I196-K200 PolarHBondContact O-N 2.97Å; I196-K200 VanDerWaalsContact O-N 3.08Å
197	E	95	Very high	92.7	Very high	94 Å²	94	50.6 Å²	50.6	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-39.7	177.9	-63.7	-50.7	121.7	0	0	111.9	L193 K194 R195 Y199 K200 V201	L193-E197 PolarHBondContact O-N 2.91Å; K194-E197 WeakPolarHBondContact O-CB 3.4Å; K194-E197 PolarHBondContact O-N 3.45Å; K194-E197 VanDerWaalsContact O-N 3.16Å; R195-E197 VanDerWaalsContact C-N 3.34Å; E197-Y199 PolarHBondContact O-N 3.49Å; E197-K200 PolarHBondContact O-N 2.94Å; E197-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact OE1-CD 3.37Å; E197-K200 WeakPolarHBondContact OE1-CE 3.34Å; E197-K200 IonicContact OE1-NZ 3.92Å; E197-K200 PolarHBondContact OE1-NZ 3.49Å; E197-K200 WeakPolarHBondContact OE2-CD 3.4Å; E197-K200 IonicContact OE2-NZ 3.82Å; E197-V201 PolarHBondContact O-N 3.08Å
198	C	95.4	Very high	93.5	Very high	15 Å²	15	47.3 Å²	47.3	10%	0.101	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-38.2	174	-62.5	0	0	0	0	113.4	F93 K194 R195 I196	F93-C198 HydrophobicContact CB-CB 4.36Å; K194-C198 PolarHBondContact O-N 3.3Å; K194-C198 PolarHBondContact O-SG 3.17Å; K194-C198 VanDerWaalsContact O-SG 3.34Å; R195-C198 WeakPolarHBondContact O-CB 3.08Å; R195-C198 PolarHBondContact O-N 2.96Å; I196-C198 VanDerWaalsContact C-N 3.29Å; I196-C198 PolarHBondContact O-N 2.8Å
199	Y	95.4	Very high	94.2	Very high	21 Å²	21	54 Å²	54	8%	0.082	28%	0.275	C	S	.	.	H	α-helix	trans	-78.6	-30.2	178.5	-77	-83.8	0	0	0	112.8	P49 F93 R104 T132 R195 I196 E197 V201 T202 Y203	P49-Y199 HydrophobicContact CG-CD2 3.6Å; P49-Y199 HydrophobicContact CG-CE2 3.94Å; P49-Y199 HydrophobicContact CG-CG 4.26Å; F93-Y199 HydrophobicContact CB-CE2 3.94Å; F93-Y199 AromaticContact CD1-CE2 3.97Å; F93-Y199 HydrophobicContact CD1-CE2 3.97Å; F93-Y199 AromaticContact CD1-CZ 3.95Å; F93-Y199 WeakPolarHBondContact CD1-OH 3.48Å; F93-Y199 HydrophobicContact CG-CE2 4.05Å; R104-Y199 PolarHBondContact NH1-OH 3.5Å; T132-Y199 HydrophobicContact CG2-CD1 4.16Å; T132-Y199 HydrophobicContact CG2-CE1 3.89Å; T132-Y199 WeakPolarHBondContact OG1-CE1 3.05Å; R195-Y199 HydrophobicContact CG-CE2 4.23Å; R195-Y199 VanDerWaalsContact O-CD2 3.27Å; R195-Y199 WeakPolarHBondContact O-CD2 3.5Å; I196-Y199 PolarHBondContact O-N 2.81Å; E197-Y199 PolarHBondContact O-N 3.49Å; Y199-V201 VanDerWaalsContact C-N 3.26Å; Y199-V201 PolarHBondContact O-N 3.38Å; Y199-T202 PolarHBondContact O-N 3.42Å; Y199-Y203 WeakPolarHBondContact O-CB 3.45Å; Y199-Y203 PolarHBondContact O-N 3.2Å; Y199-Y203 VanDerWaalsContact O-N 3.12Å
200	K	95.7	Very high	94.8	Very high	97 Å²	97	57.4 Å²	57.4	42%	0.422	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-36.8	178	-77.3	-178	178.7	169.9	0	112	L48 I196 E197 T202 Y203	L48-K200 HydrophobicContact CD1-CG 3.79Å; L48-K200 HydrophobicContact CD2-CG 4.23Å; I196-K200 HydrophobicContact CG2-CG 4.46Å; I196-K200 PolarHBondContact O-N 2.97Å; I196-K200 VanDerWaalsContact O-N 3.08Å; E197-K200 PolarHBondContact O-N 2.94Å; E197-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact OE1-CD 3.37Å; E197-K200 WeakPolarHBondContact OE1-CE 3.34Å; E197-K200 IonicContact OE1-NZ 3.92Å; E197-K200 PolarHBondContact OE1-NZ 3.49Å; E197-K200 WeakPolarHBondContact OE2-CD 3.4Å; E197-K200 IonicContact OE2-NZ 3.82Å; K200-T202 PolarHBondContact O-N 3.1Å; K200-T202 VanDerWaalsContact O-N 3.14Å; K200-Y203 PolarHBondContact O-N 2.91Å
201	V	96.9	Very high	95.4	Very high	97 Å²	97	57.4 Å²	57.4	59%	0.588	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.3	-179.4	-179.8	0	0	0	0	112.7	E197 Y199	E197-V201 PolarHBondContact O-N 3.08Å; Y199-V201 VanDerWaalsContact C-N 3.26Å; Y199-V201 PolarHBondContact O-N 3.38Å
202	T	96.3	Very high	95.8	Very high	48 Å²	48	56.5 Å²	56.5	29%	0.294	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	7.8	-175.2	57.6	0	0	0	0	113.3	H95 Y199 K200 Q204	H95-T202 HydrophobicContact CB-CG2 3.87Å; Y199-T202 PolarHBondContact O-N 3.42Å; K200-T202 PolarHBondContact O-N 3.1Å; K200-T202 VanDerWaalsContact O-N 3.14Å; T202-Q204 PolarHBondContact O-N 2.86Å
203	Y	98.1	Very high	96.2	Very high	44 Å²	44	61.2 Å²	61.2	17%	0.173	31%	0.306	C	S	.	.			trans	-72	120.9	-176.6	-179.2	-150	0	0	0	111.1	I46 L48 T134 E157 Y199 K200 P205	I46-Y203 HydrophobicContact CG2-CE2 4.34Å; L48-Y203 HydrophobicContact CD1-CD1 4.09Å; L48-Y203 HydrophobicContact CD1-CE1 4.28Å; L48-Y203 HydrophobicContact CD2-CD1 3.88Å; L48-Y203 HydrophobicContact CD2-CE1 4.48Å; L48-Y203 HydrophobicContact CD2-CG 4.05Å; L48-Y203 HydrophobicContact CG-CD1 3.85Å; L48-Y203 HydrophobicContact CG-CE1 4Å; L48-Y203 HydrophobicContact CG-CG 4.44Å; T134-Y203 HydrophobicContact CG2-CD2 3.54Å; T134-Y203 HydrophobicContact CG2-CE2 3.91Å; T134-Y203 HydrophobicContact CG2-CG 4.17Å; E157-Y203 PolarHBondContact OE1-OH 3.27Å; Y199-Y203 WeakPolarHBondContact O-CB 3.45Å; Y199-Y203 PolarHBondContact O-N 3.2Å; Y199-Y203 VanDerWaalsContact O-N 3.12Å; K200-Y203 PolarHBondContact O-N 2.91Å; Y203-P205 HydrophobicContact CD1-CG 4.19Å; Y203-P205 HydrophobicContact CD2-CG 4.43Å; Y203-P205 HydrophobicContact CE1-CG 3.84Å; Y203-P205 HydrophobicContact CE2-CB 4.31Å; Y203-P205 HydrophobicContact CE2-CG 4.11Å; Y203-P205 HydrophobicContact CG-CG 4.49Å
204	Q	98.3	Very high	96.6	Very high	78 Å²	78	62 Å²	62	36%	0.364	31%	0.31	S	S	.	.			trans	-117.3	93.8	174.1	-64.7	170.8	-41	0	0	107.7	T134 R136 R139 T202	T134-Q204 PolarHBondContact O-N 3.41Å; R136-Q204 HydrophobicContact CG-CB 4.16Å; R139-Q204 PolarHBondContact NH1-O 3.1Å; R139-Q204 PolarHBondContact NH2-O 2.57Å; T202-Q204 PolarHBondContact O-N 2.86Å
205	P	98.3	Very high	96.9	Very high	60 Å²	60	60 Å²	60	39%	0.39	30%	0.303	S	S	.	.			trans	-56.1	159.2	177	-21.3	31.2	0	0	0	111.6	E157 Y203 D207	E157-P205 WeakPolarHBondContact OE1-CA 3.5Å; Y203-P205 HydrophobicContact CD1-CG 4.19Å; Y203-P205 HydrophobicContact CD2-CG 4.43Å; Y203-P205 HydrophobicContact CE1-CG 3.84Å; Y203-P205 HydrophobicContact CE2-CB 4.31Å; Y203-P205 HydrophobicContact CE2-CG 4.11Å; Y203-P205 HydrophobicContact CG-CG 4.49Å; P205-D207 PolarHBondContact O-N 3.03Å
206	L	98.6	Very high	97.1	Very high	6 Å²	6	59 Å²	59	3%	0.031	30%	0.3	C	S	.	.			trans	-60.6	139.4	172.9	-66.9	171.6	0	0	0	110.7	I46 F155 E157 D212 L215 F217 K219	I46-L206 HydrophobicContact CD1-CD1 3.71Å; I46-L206 HydrophobicContact CD1-CD2 3.82Å; I46-L206 HydrophobicContact CD1-CG 3.75Å; F155-L206 HydrophobicContact CB-CD1 3.99Å; E157-L206 HydrophobicContact CB-CD1 4.04Å; E157-L206 PolarHBondContact OE1-N 3.43Å; E157-L206 VanDerWaalsContact OE2-CB 3.32Å; E157-L206 WeakPolarHBondContact OE2-CB 3.39Å; E157-L206 WeakPolarHBondContact OE2-CG 3.26Å; E157-L206 PolarHBondContact OE2-N 2.9Å; L206-D212 WeakPolarHBondContact CA-OD2 3.2Å; L206-D212 HydrophobicContact CB-CB 4.45Å; L206-D212 HydrophobicContact CD2-CB 4.07Å; L206-D212 WeakPolarHBondContact CD2-OD1 3.32Å; L206-L215 HydrophobicContact CD2-CD1 4.45Å; L206-F217 HydrophobicContact CB-CE2 4.23Å; L206-F217 HydrophobicContact CB-CZ 4.22Å; L206-F217 HydrophobicContact CD1-CB 3.79Å; L206-F217 HydrophobicContact CD1-CD1 4.14Å; L206-F217 HydrophobicContact CD1-CD2 3.67Å; L206-F217 HydrophobicContact CD1-CE2 4.16Å; L206-F217 HydrophobicContact CD1-CG 3.64Å; L206-K219 WeakPolarHBondContact O-CE 3.49Å; L206-K219 PolarHBondContact O-NZ 2.93Å
207	D	98.1	Very high	97.4	Very high	47 Å²	47	58.8 Å²	58.8	25%	0.251	30%	0.299	S	S	.	.			trans	-120.2	91.9	-176.9	177	5.8	0	0	0	109.8	R136 P205 D209 N210 D212	R136-D207 IonicContact NH2-OD2 3.41Å; P205-D207 PolarHBondContact O-N 3.03Å; D207-D209 PolarHBondContact O-N 3.27Å; D207-D209 PolarHBondContact OD1-N 2.92Å; D207-N210 PolarHBondContact O-N 3.45Å; D207-N210 PolarHBondContact OD1-N 3.43Å; D207-N210 WeakPolarHBondContact OD2-CB 3.12Å; D207-D212 PolarHBondContact N-OD2 3.29Å; D207-D212 CarbonylContact O-C 3.59Å; D207-D212 WeakPolarHBondContact O-CA 3.46Å; D207-D212 WeakPolarHBondContact O-CB 3.39Å; D207-D212 PolarHBondContact O-N 3.49Å
208	P	96.7	Very high	97.5	Very high	25 Å²	25	54.3 Å²	54.3	16%	0.162	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24	-177.6	21.2	-29	0	0	0	113.7	K213 F217 L228	P208-K213 WeakPolarHBondContact O-CA 3.23Å; P208-K213 WeakPolarHBondContact O-CB 3.36Å; P208-F217 HydrophobicContact CB-CZ 3.75Å; P208-F217 HydrophobicContact CG-CZ 4.31Å; P208-L228 HydrophobicContact CB-CD2 4.07Å; P208-L228 HydrophobicContact CG-CD1 3.88Å; P208-L228 HydrophobicContact CG-CD2 4Å
209	D	96.8	Very high	97.7	Very high	145 Å²	145	54.5 Å²	54.5	78%	0.775	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-20.1	-170.7	-60	-43.4	0	0	0	111.6	D207	D207-D209 PolarHBondContact O-N 3.27Å; D207-D209 PolarHBondContact OD1-N 2.92Å
210	N	97.3	Very high	97.7	Very high	115 Å²	115	54.2 Å²	54.2	62%	0.615	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	-89.7	-177.9	-161.1	-17.2	0	0	0	112.9	D207 D212 K213	D207-N210 PolarHBondContact O-N 3.45Å; D207-N210 PolarHBondContact OD1-N 3.43Å; D207-N210 WeakPolarHBondContact OD2-CB 3.12Å; N210-D212 PolarHBondContact O-N 3.19Å; N210-K213 WeakPolarHBondContact O-CD 3.45Å; N210-K213 WeakPolarHBondContact O-CG 3.36Å; N210-K213 PolarHBondContact O-N 3.38Å
211	Y	97.6	Very high	97.7	Very high	104 Å²	104	51.1 Å²	51.1	41%	0.408	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-40.6	-167.1	-169.8	-92.9	0	0	0	113.6	R136 D140	R136-Y211 HydrophobicContact CB-CE1 4.01Å; R136-Y211 HydrophobicContact CG-CD1 4Å; R136-Y211 HydrophobicContact CG-CE1 3.71Å; D140-Y211 PolarHBondContact OD2-OH 2.89Å
212	D	98.4	Very high	97.3	Very high	2 Å²	2	48 Å²	48	1%	0.011	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	12.9	-171.8	-57	-78.7	0	0	0	112.5	R139 L206 D207 N210 D214 L215 F217	R139-D212 IonicContact NH2-OD1 2.79Å; R139-D212 IonicContact NH2-OD2 2.84Å; L206-D212 WeakPolarHBondContact CA-OD2 3.2Å; L206-D212 HydrophobicContact CB-CB 4.45Å; L206-D212 HydrophobicContact CD2-CB 4.07Å; L206-D212 WeakPolarHBondContact CD2-OD1 3.32Å; D207-D212 PolarHBondContact N-OD2 3.29Å; D207-D212 CarbonylContact O-C 3.59Å; D207-D212 WeakPolarHBondContact O-CA 3.46Å; D207-D212 WeakPolarHBondContact O-CB 3.39Å; D207-D212 PolarHBondContact O-N 3.49Å; N210-D212 PolarHBondContact O-N 3.19Å; D212-D214 PolarHBondContact O-N 3.38Å; D212-D214 VanDerWaalsContact O-N 3.08Å; D212-L215 HydrophobicContact CB-CD1 3.86Å; D212-L215 HydrophobicContact CB-CG 4.23Å; D212-L215 WeakPolarHBondContact O-CB 3.35Å; D212-L215 PolarHBondContact O-N 2.87Å; D212-L215 WeakPolarHBondContact OD1-CD1 3.37Å; D212-F217 HydrophobicContact CB-CE1 4.28Å
213	K	98	Very high	96.7	Very high	103 Å²	103	48 Å²	48	45%	0.448	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.8	-174.9	72.5	-174.8	179.2	-177.5	0	115.3	P208 N210 N230 R231	P208-K213 WeakPolarHBondContact O-CA 3.23Å; P208-K213 WeakPolarHBondContact O-CB 3.36Å; N210-K213 WeakPolarHBondContact O-CD 3.45Å; N210-K213 WeakPolarHBondContact O-CG 3.36Å; N210-K213 PolarHBondContact O-N 3.38Å; K213-N230 PolarHBondContact O-ND2 3.42Å; K213-R231 WeakPolarHBondContact O-CD 3.43Å; K213-R231 PolarHBondContact O-NE 3.3Å
214	D	98	Very high	96.2	Very high	95 Å²	95	47 Å²	47	51%	0.508	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-2.4	-178.1	-64	-44.7	0	0	0	113.1	D212 R231	D212-D214 PolarHBondContact O-N 3.38Å; D212-D214 VanDerWaalsContact O-N 3.08Å; D214-R231 IonicContact OD1-CZ 3.35Å; D214-R231 IonicContact OD1-NE 3.51Å; D214-R231 IonicContact OD1-NH2 2.73Å; D214-R231 PolarHBondContact OD1-NH2 2.65Å
215	L	98.5	Very high	95.8	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	26%	0.261	C	S	.	.	S	Bend	trans	-85.4	147.1	178.5	-56.1	-173.4	0	0	0	111.8	L143 F155 L206 D212 F217 N230	L143-L215 HydrophobicContact CD1-CD1 4.29Å; L143-L215 HydrophobicContact CD1-CD2 3.9Å; L143-L215 HydrophobicContact CD2-CD2 4.18Å; F155-L215 HydrophobicContact CD2-CB 4.37Å; F155-L215 HydrophobicContact CD2-CD1 4.34Å; F155-L215 HydrophobicContact CE2-CB 4.29Å; F155-L215 HydrophobicContact CE2-CD1 3.8Å; F155-L215 HydrophobicContact CE2-CD2 4.43Å; F155-L215 HydrophobicContact CE2-CG 4.41Å; F155-L215 HydrophobicContact CZ-CD1 4.39Å; L206-L215 HydrophobicContact CD2-CD1 4.45Å; D212-L215 HydrophobicContact CB-CD1 3.86Å; D212-L215 HydrophobicContact CB-CG 4.23Å; D212-L215 WeakPolarHBondContact O-CB 3.35Å; D212-L215 PolarHBondContact O-N 2.87Å; D212-L215 WeakPolarHBondContact OD1-CD1 3.37Å; L215-F217 HydrophobicContact CB-CD1 4.08Å; L215-F217 VanDerWaalsContact O-CD1 3.31Å; L215-F217 WeakPolarHBondContact O-CD1 3.27Å; L215-N230 PolarHBondContact O-ND2 3.47Å
216	S	98.7	Very high	95.6	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.035	27%	0.271	C	S	.	.			trans	-90.3	118.4	173.8	-60.3	0	0	0	0	110.1	F154 F155 N230 R231 Q233	F154-S216 WeakPolarHBondContact CA-O 3.38Å; F155-S216 PolarHBondContact N-O 3.33Å; S216-N230 WeakPolarHBondContact CA-O 3.33Å; S216-R231 WeakPolarHBondContact CB-O 3.27Å; S216-R231 PolarHBondContact OG-O 3Å; S216-Q233 WeakPolarHBondContact OG-CG 3.02Å; S216-Q233 PolarHBondContact OG-NE2 3.41Å
217	F	98.8	Very high	95.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	166.1	-175.6	67.6	-98.2	0	0	0	114.9	F155 L206 P208 D212 L215 K219 L228 V229 N230	F155-F217 HydrophobicContact CB-CB 3.69Å; F155-F217 CarbonylContact O-C 3.43Å; F155-F217 WeakPolarHBondContact O-CA 3.31Å; F155-F217 WeakPolarHBondContact O-CB 3.49Å; L206-F217 HydrophobicContact CB-CE2 4.23Å; L206-F217 HydrophobicContact CB-CZ 4.22Å; L206-F217 HydrophobicContact CD1-CB 3.79Å; L206-F217 HydrophobicContact CD1-CD1 4.14Å; L206-F217 HydrophobicContact CD1-CD2 3.67Å; L206-F217 HydrophobicContact CD1-CE2 4.16Å; L206-F217 HydrophobicContact CD1-CG 3.64Å; P208-F217 HydrophobicContact CB-CZ 3.75Å; P208-F217 HydrophobicContact CG-CZ 4.31Å; D212-F217 HydrophobicContact CB-CE1 4.28Å; L215-F217 HydrophobicContact CB-CD1 4.08Å; L215-F217 VanDerWaalsContact O-CD1 3.31Å; L215-F217 WeakPolarHBondContact O-CD1 3.27Å; F217-K219 HydrophobicContact CD2-CG 4.14Å; F217-K219 HydrophobicContact CE2-CD 4.05Å; F217-K219 HydrophobicContact CE2-CG 3.94Å; F217-L228 HydrophobicContact CE2-CD2 3.71Å; F217-L228 HydrophobicContact CZ-CD2 4.15Å; F217-V229 WeakPolarHBondContact O-CA 3.34Å; F217-N230 HydrophobicContact CD1-CB 3.77Å; F217-N230 HydrophobicContact CD2-CB 4.33Å; F217-N230 HydrophobicContact CE1-CB 3.51Å; F217-N230 HydrophobicContact CE2-CB 4.11Å; F217-N230 HydrophobicContact CG-CB 4.18Å; F217-N230 HydrophobicContact CZ-CB 3.72Å; F217-N230 PolarHBondContact N-O 2.94Å; F217-N230 PolarHBondContact O-N 3.35Å
218	I	98.7	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131	164.8	-178.3	171.8	0	0	0	109.9	F154 F155 V156 E157 V220 F227 L228 V229 V241 L244	F154-I218 HydrophobicContact CE1-CG2 3.71Å; F154-I218 HydrophobicContact CZ-CB 4.11Å; F154-I218 HydrophobicContact CZ-CG2 3.78Å; F155-I218 PolarHBondContact O-N 3.29Å; V156-I218 WeakPolarHBondContact CA-O 3.27Å; V156-I218 HydrophobicContact CB-CG2 4.27Å; V156-I218 HydrophobicContact CG1-CG2 4.18Å; V156-I218 HydrophobicContact CG2-CG2 3.85Å; E157-I218 PolarHBondContact N-O 3.16Å; I218-V220 HydrophobicContact CD1-CG2 4.34Å; I218-V220 HydrophobicContact CG1-CG2 4.26Å; I218-F227 HydrophobicContact CD1-CD1 3.87Å; I218-F227 HydrophobicContact CG1-CD1 4.36Å; I218-L228 CarbonylContact C-O 3.54Å; I218-L228 WeakPolarHBondContact CA-O 3.47Å; I218-V229 HydrophobicContact CB-CG2 4.4Å; I218-V229 HydrophobicContact CD1-CG2 4.05Å; I218-V229 HydrophobicContact CG1-CG2 3.96Å; I218-V241 HydrophobicContact CD1-CG1 4.24Å; I218-V241 HydrophobicContact CD1-CG2 4.34Å; I218-L244 HydrophobicContact CD1-CB 4.2Å; I218-L244 HydrophobicContact CD1-CD1 4.27Å; I218-L244 HydrophobicContact CG2-CD1 3.74Å
219	K	98.2	Very high	95.6	Very high	19 Å²	19	59.2 Å²	59.2	8%	0.083	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.9	163.7	-68.1	169.1	173.2	-80.4	0	108.7	E157 L206 F217 I221 F227 L228	E157-K219 HydrophobicContact CB-CG 4.21Å; E157-K219 CarbonylContact O-C 3.54Å; E157-K219 WeakPolarHBondContact O-CA 3.32Å; E157-K219 WeakPolarHBondContact OE2-CE 3.3Å; E157-K219 WeakPolarHBondContact OE2-CG 3.48Å; E157-K219 IonicContact OE2-NZ 3.86Å; E157-K219 PolarHBondContact OE2-NZ 2.68Å; L206-K219 WeakPolarHBondContact O-CE 3.49Å; L206-K219 PolarHBondContact O-NZ 2.93Å; F217-K219 HydrophobicContact CD2-CG 4.14Å; F217-K219 HydrophobicContact CE2-CD 4.05Å; F217-K219 HydrophobicContact CE2-CG 3.94Å; K219-I221 HydrophobicContact CB-CG1 4.34Å; K219-F227 VanDerWaalsContact O-CA 3.29Å; K219-F227 WeakPolarHBondContact O-CA 3.03Å; K219-L228 HydrophobicContact CB-CB 4.12Å; K219-L228 HydrophobicContact CD-CB 4.17Å; K219-L228 HydrophobicContact CD-CD1 4.39Å; K219-L228 HydrophobicContact CD-CD2 4.48Å; K219-L228 PolarHBondContact N-O 2.99Å; K219-L228 PolarHBondContact O-N 3.3Å
220	V	96.3	Very high	95.6	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.3	171.9	-177.1	0	0	0	0	107.3	E157 V159 I218 F227	E157-V220 PolarHBondContact O-N 3.36Å; V159-V220 PolarHBondContact N-O 3.46Å; I218-V220 HydrophobicContact CD1-CG2 4.34Å; I218-V220 HydrophobicContact CG1-CG2 4.26Å; V220-F227 HydrophobicContact CB-CD1 4.44Å; V220-F227 HydrophobicContact CB-CE1 4.33Å; V220-F227 HydrophobicContact CG1-CD1 4.36Å; V220-F227 HydrophobicContact CG1-CE1 3.83Å; V220-F227 HydrophobicContact CG2-CD1 4.08Å; V220-F227 HydrophobicContact CG2-CE1 4.02Å
221	I	94.3	Very high	95.7	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.159	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130	-172.1	-59.6	165.5	0	0	0	109.3	V159 K219 V223 G224 Q225 R226	V159-I221 HydrophobicContact CB-CG1 4.34Å; V159-I221 CarbonylContact O-C 3.59Å; V159-I221 WeakPolarHBondContact O-CA 3.46Å; K219-I221 HydrophobicContact CB-CG1 4.34Å; I221-V223 PolarHBondContact O-N 3.06Å; I221-G224 PolarHBondContact O-N 3.25Å; I221-Q225 PolarHBondContact O-N 3.29Å; I221-R226 HydrophobicContact CB-CB 4.16Å; I221-R226 PolarHBondContact N-O 3.39Å; I221-R226 PolarHBondContact O-N 3.16Å
222	N	88.7	Confident	95.7	Very high	33 Å²	33	53.2 Å²	53.2	18%	0.176	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	59.2	179.8	-65.4	-16.7	0	0	0	111.8	V159 G224 Q225	V159-N222 PolarHBondContact O-N 3.28Å; N222-G224 VanDerWaalsContact C-N 3.25Å; N222-G224 PolarHBondContact O-N 2.93Å; N222-Q225 HydrophobicContact CB-CB 4.14Å; N222-Q225 HydrophobicContact CB-CG 4.22Å; N222-Q225 WeakPolarHBondContact O-CG 3Å; N222-Q225 PolarHBondContact O-N 3.36Å
223	V	84.9	Confident	95.6	Very high	48 Å²	48	58.3 Å²	58.3	29%	0.291	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	35.5	172	-157.6	0	0	0	0	113.2	V165 I221 V249	V165-V223 HydrophobicContact CB-CG2 4.46Å; V165-V223 HydrophobicContact CG1-CG2 3.54Å; V165-V223 HydrophobicContact CG2-CG2 4.18Å; I221-V223 PolarHBondContact O-N 3.06Å; V223-V249 HydrophobicContact CG1-CB 4.06Å; V223-V249 HydrophobicContact CG1-CG1 3.64Å; V223-V249 HydrophobicContact CG1-CG2 3.3Å
224	G	87.2	Confident	95.4	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	11.3	176.8	0	0	0	0	0	114.8	I221 N222 R226 F227	I221-G224 PolarHBondContact O-N 3.25Å; N222-G224 VanDerWaalsContact C-N 3.25Å; N222-G224 PolarHBondContact O-N 2.93Å; G224-R226 VanDerWaalsContact C-N 3.28Å; G224-R226 PolarHBondContact O-N 3.27Å; G224-F227 WeakPolarHBondContact O-CE2 3.22Å; G224-F227 WeakPolarHBondContact O-CZ 3.39Å
225	Q	89.3	Confident	95.3	Very high	137 Å²	137	53.4 Å²	53.4	64%	0.64	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.6	169.5	-74.6	174.4	4.9	0	0	112.2	I221 N222	I221-Q225 PolarHBondContact O-N 3.29Å; N222-Q225 HydrophobicContact CB-CB 4.14Å; N222-Q225 HydrophobicContact CB-CG 4.22Å; N222-Q225 WeakPolarHBondContact O-CG 3Å; N222-Q225 PolarHBondContact O-N 3.36Å
226	R	94.4	Very high	95.1	Very high	158 Å²	158	51.8 Å²	51.8	60%	0.596	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.1	178	-66.7	-174.7	-63.5	164.4	0.7	111.1	I221 G224	I221-R226 HydrophobicContact CB-CB 4.16Å; I221-R226 PolarHBondContact N-O 3.39Å; I221-R226 PolarHBondContact O-N 3.16Å; G224-R226 VanDerWaalsContact C-N 3.28Å; G224-R226 PolarHBondContact O-N 3.27Å
227	F	96.5	Very high	95.1	Very high	57 Å²	57	51.5 Å²	51.5	25%	0.25	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.6	177.7	-56.7	-86.9	0	0	0	110.2	I218 K219 V220 G224 M245	I218-F227 HydrophobicContact CD1-CD1 3.87Å; I218-F227 HydrophobicContact CG1-CD1 4.36Å; K219-F227 VanDerWaalsContact O-CA 3.29Å; K219-F227 WeakPolarHBondContact O-CA 3.03Å; V220-F227 HydrophobicContact CB-CD1 4.44Å; V220-F227 HydrophobicContact CB-CE1 4.33Å; V220-F227 HydrophobicContact CG1-CD1 4.36Å; V220-F227 HydrophobicContact CG1-CE1 3.83Å; V220-F227 HydrophobicContact CG2-CD1 4.08Å; V220-F227 HydrophobicContact CG2-CE1 4.02Å; G224-F227 WeakPolarHBondContact O-CE2 3.22Å; G224-F227 WeakPolarHBondContact O-CZ 3.39Å; F227-M245 HydrophobicContact CD1-CG 4.1Å; F227-M245 HydrophobicContact CD2-CE 4.44Å; F227-M245 HydrophobicContact CD2-CG 3.98Å; F227-M245 HydrophobicContact CE1-CG 4.17Å; F227-M245 HydrophobicContact CE2-CB 4.29Å; F227-M245 HydrophobicContact CE2-CG 4.08Å; F227-M245 HydrophobicContact CG-CG 3.99Å; F227-M245 HydrophobicContact CZ-CB 4.29Å; F227-M245 HydrophobicContact CZ-CG 4.17Å
228	L	97.9	Very high	95	Very high	63 Å²	63	54.1 Å²	54.1	33%	0.33	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.9	165.3	-169.7	160.5	0	0	0	107.2	P208 F217 I218 K219	P208-L228 HydrophobicContact CB-CD2 4.07Å; P208-L228 HydrophobicContact CG-CD1 3.88Å; P208-L228 HydrophobicContact CG-CD2 4Å; F217-L228 HydrophobicContact CE2-CD2 3.71Å; F217-L228 HydrophobicContact CZ-CD2 4.15Å; I218-L228 CarbonylContact C-O 3.54Å; I218-L228 WeakPolarHBondContact CA-O 3.47Å; K219-L228 HydrophobicContact CB-CB 4.12Å; K219-L228 HydrophobicContact CD-CB 4.17Å; K219-L228 HydrophobicContact CD-CD1 4.39Å; K219-L228 HydrophobicContact CD-CD2 4.48Å; K219-L228 PolarHBondContact N-O 2.99Å; K219-L228 PolarHBondContact O-N 3.3Å
229	V	98.5	Very high	94.9	Very high	58 Å²	58	56 Å²	56	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.2	-177.5	-176.9	0	0	0	0	108.4	F217 I218 V232 V241	F217-V229 WeakPolarHBondContact O-CA 3.34Å; I218-V229 HydrophobicContact CB-CG2 4.4Å; I218-V229 HydrophobicContact CD1-CG2 4.05Å; I218-V229 HydrophobicContact CG1-CG2 3.96Å; V229-V232 HydrophobicContact CG1-CG2 3.45Å; V229-V232 VanDerWaalsContact CG1-CG2 3.45Å; V229-V241 HydrophobicContact CG1-CG1 4.31Å; V229-V241 HydrophobicContact CG1-CG2 3.97Å; V229-V241 HydrophobicContact CG2-CG1 3.84Å
230	N	98.5	Very high	94.9	Very high	31 Å²	31	55.1 Å²	55.1	17%	0.166	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.4	178	-166.8	49.4	0	0	0	111.2	K213 L215 S216 F217 V232	K213-N230 PolarHBondContact O-ND2 3.42Å; L215-N230 PolarHBondContact O-ND2 3.47Å; S216-N230 WeakPolarHBondContact CA-O 3.33Å; F217-N230 HydrophobicContact CD1-CB 3.77Å; F217-N230 HydrophobicContact CD2-CB 4.33Å; F217-N230 HydrophobicContact CE1-CB 3.51Å; F217-N230 HydrophobicContact CE2-CB 4.11Å; F217-N230 HydrophobicContact CG-CB 4.18Å; F217-N230 HydrophobicContact CZ-CB 3.72Å; F217-N230 PolarHBondContact N-O 2.94Å; F217-N230 PolarHBondContact O-N 3.35Å; N230-V232 PolarHBondContact O-N 3.42Å
231	R	97.6	Very high	94.9	Very high	143 Å²	143	55.1 Å²	55.1	54%	0.54	27%	0.27	S	S	.	.			trans	42.7	60.8	170.2	-67	-176.6	174.4	-99.4	14.1	115.6	K213 D214 S216 Q233	K213-R231 WeakPolarHBondContact O-CD 3.43Å; K213-R231 PolarHBondContact O-NE 3.3Å; D214-R231 IonicContact OD1-CZ 3.35Å; D214-R231 IonicContact OD1-NE 3.51Å; D214-R231 IonicContact OD1-NH2 2.73Å; D214-R231 PolarHBondContact OD1-NH2 2.65Å; S216-R231 WeakPolarHBondContact CB-O 3.27Å; S216-R231 PolarHBondContact OG-O 3Å; R231-Q233 PolarHBondContact O-N 2.87Å
232	V	98.1	Very high	95	Very high	63 Å²	63	58.5 Å²	58.5	38%	0.382	28%	0.282	S	S	.	.			trans	-62.4	123.3	169.8	-178.7	0	0	0	0	109.8	V229 N230 Q237 V241	V229-V232 HydrophobicContact CG1-CG2 3.45Å; V229-V232 VanDerWaalsContact CG1-CG2 3.45Å; N230-V232 PolarHBondContact O-N 3.42Å; V232-Q237 HydrophobicContact CG1-CB 3.78Å; V232-V241 HydrophobicContact CG2-CG2 4.19Å
233	Q	96.1	Very high	95.4	Very high	110 Å²	110	57 Å²	57	51%	0.514	27%	0.274	S	S	.	.			trans	-94.5	-29.5	-170.2	-58.6	177.8	-41.8	0	0	113.9	S216 R231	S216-Q233 WeakPolarHBondContact OG-CG 3.02Å; S216-Q233 PolarHBondContact OG-NE2 3.41Å; R231-Q233 PolarHBondContact O-N 2.87Å
234	D	95.3	Very high	96	Very high	31 Å²	31	54.9 Å²	54.9	17%	0.166	26%	0.261	C	S	.	.	S	Bend	trans	-154.8	-179.7	-171.7	61.7	27.3	0	0	0	113.6	K152 I236 Q237 S238	K152-D234 WeakPolarHBondContact CD-OD2 3.34Å; K152-D234 IonicContact NZ-OD2 2.81Å; K152-D234 PolarHBondContact NZ-OD2 3.32Å; D234-I236 VanDerWaalsContact C-N 3.33Å; D234-I236 PolarHBondContact O-N 3.22Å; D234-I236 WeakPolarHBondContact OD1-CG2 3.43Å; D234-I236 PolarHBondContact OD1-N 3.1Å; D234-Q237 WeakPolarHBondContact OD1-CB 3.24Å; D234-Q237 VanDerWaalsContact OD1-CG 3.32Å; D234-Q237 WeakPolarHBondContact OD1-CG 3.44Å; D234-Q237 PolarHBondContact OD1-N 3.43Å; D234-S238 PolarHBondContact O-N 3.21Å; D234-S238 VanDerWaalsContact O-N 3.07Å
235	Y	94.8	Very high	96.3	Very high	63 Å²	63	58.4 Å²	58.4	25%	0.247	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-40.4	179.8	172.7	-95.8	0	0	0	113.1	A33 M36 S238 K239	A33-Y235 HydrophobicContact CB-CE1 4.2Å; M36-Y235 HydrophobicContact CB-CD1 3.54Å; M36-Y235 HydrophobicContact CB-CE1 4.05Å; M36-Y235 HydrophobicContact CB-CG 4.02Å; M36-Y235 HydrophobicContact CG-CD1 4.18Å; M36-Y235 HydrophobicContact CG-CE1 4.43Å; M36-Y235 HydrophobicContact CG-CG 4.4Å; Y235-S238 PolarHBondContact O-N 2.84Å; Y235-S238 PolarHBondContact O-OG 3.44Å; Y235-K239 HydrophobicContact CD1-CG 4.33Å; Y235-K239 HydrophobicContact CE1-CG 3.85Å; Y235-K239 HydrophobicContact CE2-CG 4.11Å; Y235-K239 VanDerWaalsContact CZ-CE 3.43Å; Y235-K239 WeakPolarHBondContact O-CG 3.34Å; Y235-K239 PolarHBondContact O-N 3.08Å; Y235-K239 WeakPolarHBondContact OH-CE 3.49Å
236	I	95.3	Very high	96.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-74.5	-37.6	-174.3	-163.3	52.1	0	0	0	110.8	T37 L64 V69 I126 D234 K239 I240	T37-I236 HydrophobicContact CG2-CG2 4.49Å; L64-I236 HydrophobicContact CD2-CD1 3.72Å; L64-I236 HydrophobicContact CD2-CG1 4.47Å; V69-I236 HydrophobicContact CG2-CD1 4.18Å; I126-I236 HydrophobicContact CD1-CD1 4.19Å; I126-I236 HydrophobicContact CD1-CG1 3.6Å; D234-I236 VanDerWaalsContact C-N 3.33Å; D234-I236 PolarHBondContact O-N 3.22Å; D234-I236 WeakPolarHBondContact OD1-CG2 3.43Å; D234-I236 PolarHBondContact OD1-N 3.1Å; I236-K239 HydrophobicContact CD1-CB 4.5Å; I236-K239 PolarHBondContact O-N 2.6Å; I236-I240 HydrophobicContact CG1-CD1 4.37Å; I236-I240 WeakPolarHBondContact O-CD1 3.4Å; I236-I240 WeakPolarHBondContact O-CG1 3.22Å; I236-I240 PolarHBondContact O-N 3.4Å
237	Q	97.7	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-40.4	171.4	-68.3	178.4	13.2	0	0	111.7	F154 V232 D234 K239 I240 V241	F154-Q237 HydrophobicContact CB-CG 4.15Å; F154-Q237 HydrophobicContact CD2-CB 4.17Å; F154-Q237 HydrophobicContact CD2-CG 3.76Å; F154-Q237 HydrophobicContact CE2-CB 4.27Å; F154-Q237 HydrophobicContact CE2-CG 4.36Å; F154-Q237 HydrophobicContact CG-CG 3.94Å; V232-Q237 HydrophobicContact CG1-CB 3.78Å; D234-Q237 WeakPolarHBondContact OD1-CB 3.24Å; D234-Q237 VanDerWaalsContact OD1-CG 3.32Å; D234-Q237 WeakPolarHBondContact OD1-CG 3.44Å; D234-Q237 PolarHBondContact OD1-N 3.43Å; Q237-K239 VanDerWaalsContact C-N 3.34Å; Q237-K239 PolarHBondContact O-N 2.93Å; Q237-I240 PolarHBondContact O-N 3.45Å; Q237-V241 WeakPolarHBondContact O-CG2 3.25Å; Q237-V241 PolarHBondContact O-N 2.91Å
238	S	97.2	Very high	95.6	Very high	55 Å²	55	45.1 Å²	45.1	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-37.6	176.9	77.4	0	0	0	0	112.2	D234 Y235 V241 Y242	D234-S238 PolarHBondContact O-N 3.21Å; D234-S238 VanDerWaalsContact O-N 3.07Å; Y235-S238 PolarHBondContact O-N 2.84Å; Y235-S238 PolarHBondContact O-OG 3.44Å; S238-V241 PolarHBondContact O-N 3.31Å; S238-Y242 WeakPolarHBondContact O-CB 3.37Å; S238-Y242 PolarHBondContact O-N 2.93Å
239	K	96	Very high	94.7	Very high	40 Å²	40	45.3 Å²	45.3	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-40.4	172.2	-76.5	-67.4	-167.8	171.2	0	113	Y235 I236 Q237 Y242 Y243 E376	Y235-K239 HydrophobicContact CD1-CG 4.33Å; Y235-K239 HydrophobicContact CE1-CG 3.85Å; Y235-K239 HydrophobicContact CE2-CG 4.11Å; Y235-K239 VanDerWaalsContact CZ-CE 3.43Å; Y235-K239 WeakPolarHBondContact O-CG 3.34Å; Y235-K239 PolarHBondContact O-N 3.08Å; Y235-K239 WeakPolarHBondContact OH-CE 3.49Å; I236-K239 HydrophobicContact CD1-CB 4.5Å; I236-K239 PolarHBondContact O-N 2.6Å; Q237-K239 VanDerWaalsContact C-N 3.34Å; Q237-K239 PolarHBondContact O-N 2.93Å; K239-Y242 PolarHBondContact O-N 3.36Å; K239-Y243 WeakPolarHBondContact O-CB 3.38Å; K239-Y243 PolarHBondContact O-N 3.11Å; K239-E376 IonicContact NZ-OE1 2.69Å; K239-E376 PolarHBondContact NZ-OE1 3.22Å; K239-E376 IonicContact NZ-OE2 3.54Å
240	I	97.6	Very high	93.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-48.4	175	-69.2	157.1	0	0	0	110	I43 L60 L64 F154 I236 Q237 Y242 Y243 L244	I43-I240 HydrophobicContact CD1-CD1 3.51Å; I43-I240 HydrophobicContact CD1-CG1 4.27Å; I43-I240 HydrophobicContact CG1-CD1 4.29Å; L60-I240 HydrophobicContact CD1-CB 4.45Å; L60-I240 HydrophobicContact CD1-CG1 4.18Å; L60-I240 HydrophobicContact CD1-CG2 4.07Å; L60-I240 HydrophobicContact CD2-CG2 3.88Å; L64-I240 HydrophobicContact CD2-CG1 4.26Å; F154-I240 HydrophobicContact CD1-CG2 4.23Å; F154-I240 HydrophobicContact CE1-CB 4.5Å; F154-I240 HydrophobicContact CE1-CG2 3.82Å; I236-I240 HydrophobicContact CG1-CD1 4.37Å; I236-I240 WeakPolarHBondContact O-CD1 3.4Å; I236-I240 WeakPolarHBondContact O-CG1 3.22Å; I236-I240 PolarHBondContact O-N 3.4Å; Q237-I240 PolarHBondContact O-N 3.45Å; I240-Y242 PolarHBondContact O-N 3.28Å; I240-Y243 PolarHBondContact O-N 2.97Å; I240-L244 HydrophobicContact CG2-CD1 3.79Å; I240-L244 HydrophobicContact CG2-CG 4.31Å; I240-L244 WeakPolarHBondContact O-CB 3.49Å; I240-L244 VanDerWaalsContact O-CG 3.26Å; I240-L244 WeakPolarHBondContact O-CG 3.37Å; I240-L244 PolarHBondContact O-N 3.13Å
241	V	97.9	Very high	93.1	Very high	14 Å²	14	53.5 Å²	53.5	9%	0.085	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-50.6	176.5	168.9	0	0	0	0	110.6	F154 I218 V229 V232 Q237 S238 Y243 L244 M245	F154-V241 HydrophobicContact CE1-CG2 4.44Å; F154-V241 HydrophobicContact CE2-CG2 4.48Å; F154-V241 HydrophobicContact CZ-CG2 3.68Å; I218-V241 HydrophobicContact CD1-CG1 4.24Å; I218-V241 HydrophobicContact CD1-CG2 4.34Å; V229-V241 HydrophobicContact CG1-CG1 4.31Å; V229-V241 HydrophobicContact CG1-CG2 3.97Å; V229-V241 HydrophobicContact CG2-CG1 3.84Å; V232-V241 HydrophobicContact CG2-CG2 4.19Å; Q237-V241 WeakPolarHBondContact O-CG2 3.25Å; Q237-V241 PolarHBondContact O-N 2.91Å; S238-V241 PolarHBondContact O-N 3.31Å; V241-Y243 VanDerWaalsContact C-N 3.32Å; V241-Y243 PolarHBondContact O-N 3.08Å; V241-L244 PolarHBondContact O-N 3.45Å; V241-M245 HydrophobicContact CG1-CG 4.42Å; V241-M245 HydrophobicContact CG1-SD 3.75Å; V241-M245 VanDerWaalsContact O-CG 3.28Å; V241-M245 WeakPolarHBondContact O-CG 3.48Å; V241-M245 PolarHBondContact O-N 3.05Å
242	Y	96.5	Very high	92.9	Very high	102 Å²	102	47.2 Å²	47.2	40%	0.4	24%	0.243	S	C	.	.	H	α-helix	trans	-58	-43.6	179.2	176.3	-118.3	0	0	0	112.3	S238 K239 I240 M245 N246 M380	S238-Y242 WeakPolarHBondContact O-CB 3.37Å; S238-Y242 PolarHBondContact O-N 2.93Å; K239-Y242 PolarHBondContact O-N 3.36Å; I240-Y242 PolarHBondContact O-N 3.28Å; Y242-M245 PolarHBondContact O-N 2.92Å; Y242-N246 WeakPolarHBondContact CD2-ND2 3.22Å; Y242-N246 VanDerWaalsContact CE2-ND2 3.29Å; Y242-N246 WeakPolarHBondContact CE2-ND2 3.23Å; Y242-N246 PolarHBondContact O-N 3.43Å; Y242-N246 PolarHBondContact O-ND2 2.98Å; Y242-M380 HydrophobicContact CD1-SD 4.21Å; Y242-M380 HydrophobicContact CE1-CB 4.44Å; Y242-M380 HydrophobicContact CE1-CG 3.66Å; Y242-M380 HydrophobicContact CE1-SD 3.92Å
243	Y	96.9	Very high	92.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-49.4	176.2	-178.5	-103.4	0	0	0	112.1	K59 L60 Y63 K239 I240 V241 M245 N246 I247 M380 E383 Y403	K59-Y243 WeakPolarHBondContact CG-OH 3.27Å; K59-Y243 PolarHBondContact O-OH 2.98Å; L60-Y243 HydrophobicContact CB-CE1 4.48Å; L60-Y243 HydrophobicContact CD1-CD1 3.65Å; L60-Y243 HydrophobicContact CD1-CE1 4.25Å; L60-Y243 HydrophobicContact CD1-CG 4.39Å; Y63-Y243 HydrophobicContact CD1-CD1 4.06Å; Y63-Y243 AromaticContact CD1-CD2 3.57Å; Y63-Y243 HydrophobicContact CD1-CD2 3.57Å; Y63-Y243 HydrophobicContact CD1-CE1 4.46Å; Y63-Y243 HydrophobicContact CD1-CE2 4.02Å; Y63-Y243 AromaticContact CD1-CG 3.57Å; Y63-Y243 HydrophobicContact CD1-CG 3.57Å; Y63-Y243 AromaticContact CD2-CD2 3.8Å; Y63-Y243 HydrophobicContact CD2-CD2 3.8Å; Y63-Y243 AromaticContact CD2-CE2 3.78Å; Y63-Y243 HydrophobicContact CD2-CE2 3.78Å; Y63-Y243 AromaticContact CE1-CD2 3.84Å; Y63-Y243 HydrophobicContact CE1-CD2 3.84Å; Y63-Y243 AromaticContact CE1-CG 3.85Å; Y63-Y243 HydrophobicContact CE1-CG 3.85Å; Y63-Y243 HydrophobicContact CE2-CD2 4.07Å; Y63-Y243 HydrophobicContact CE2-CE2 4.46Å; Y63-Y243 HydrophobicContact CG-CD1 4.42Å; Y63-Y243 AromaticContact CG-CD2 3.52Å; Y63-Y243 HydrophobicContact CG-CD2 3.52Å; Y63-Y243 HydrophobicContact CG-CE1 4.42Å; Y63-Y243 AromaticContact CG-CE2 3.52Å; Y63-Y243 HydrophobicContact CG-CE2 3.52Å; Y63-Y243 AromaticContact CG-CG 3.98Å; Y63-Y243 HydrophobicContact CG-CG 3.98Å; Y63-Y243 AromaticContact CG-CZ 3.99Å; K239-Y243 WeakPolarHBondContact O-CB 3.38Å; K239-Y243 PolarHBondContact O-N 3.11Å; I240-Y243 PolarHBondContact O-N 2.97Å; V241-Y243 VanDerWaalsContact C-N 3.32Å; V241-Y243 PolarHBondContact O-N 3.08Å; Y243-M245 PolarHBondContact O-N 2.52Å; Y243-N246 PolarHBondContact O-N 2.71Å; Y243-I247 HydrophobicContact CD1-CG2 4.2Å; Y243-I247 HydrophobicContact CD2-CG2 4.44Å; Y243-I247 HydrophobicContact CE1-CD1 4.45Å; Y243-I247 HydrophobicContact CE1-CG2 3.69Å; Y243-I247 HydrophobicContact CE2-CG2 3.98Å; Y243-I247 PolarHBondContact O-N 3.36Å; Y243-M380 HydrophobicContact CD2-CE 3.55Å; Y243-M380 HydrophobicContact CD2-SD 3.83Å; Y243-M380 HydrophobicContact CE2-CE 3.82Å; Y243-E383 HydrophobicContact CE2-CG 4.33Å; Y243-Y403 PolarHBondContact OH-OH 3.49Å
244	L	95.8	Very high	92.9	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-29.1	-179	-68.2	174.8	0	0	0	112.8	V56 V156 I218 I240 V241 N246 I247	V56-L244 HydrophobicContact CG1-CD2 3.46Å; V56-L244 VanDerWaalsContact CG1-CD2 3.46Å; V156-L244 HydrophobicContact CG1-CD1 3.93Å; V156-L244 HydrophobicContact CG2-CD1 4.02Å; I218-L244 HydrophobicContact CD1-CB 4.2Å; I218-L244 HydrophobicContact CD1-CD1 4.27Å; I218-L244 HydrophobicContact CG2-CD1 3.74Å; I240-L244 HydrophobicContact CG2-CD1 3.79Å; I240-L244 HydrophobicContact CG2-CG 4.31Å; I240-L244 WeakPolarHBondContact O-CB 3.49Å; I240-L244 VanDerWaalsContact O-CG 3.26Å; I240-L244 WeakPolarHBondContact O-CG 3.37Å; I240-L244 PolarHBondContact O-N 3.13Å; V241-L244 PolarHBondContact O-N 3.45Å; L244-N246 VanDerWaalsContact C-N 3.31Å; L244-I247 HydrophobicContact CD2-CD1 3.96Å; L244-I247 WeakPolarHBondContact O-CG1 3.33Å
245	M	94.4	Very high	93	Very high	96 Å²	96	39 Å²	39	47%	0.473	20%	0.202	S	C	.	.	H	α-helix	trans	-74.8	-17.4	176	-70.1	176.5	71.5	0	0	114.1	F227 V241 Y242 Y243	F227-M245 HydrophobicContact CD1-CG 4.1Å; F227-M245 HydrophobicContact CD2-CE 4.44Å; F227-M245 HydrophobicContact CD2-CG 3.98Å; F227-M245 HydrophobicContact CE1-CG 4.17Å; F227-M245 HydrophobicContact CE2-CB 4.29Å; F227-M245 HydrophobicContact CE2-CG 4.08Å; F227-M245 HydrophobicContact CG-CG 3.99Å; F227-M245 HydrophobicContact CZ-CB 4.29Å; F227-M245 HydrophobicContact CZ-CG 4.17Å; V241-M245 HydrophobicContact CG1-CG 4.42Å; V241-M245 HydrophobicContact CG1-SD 3.75Å; V241-M245 VanDerWaalsContact O-CG 3.28Å; V241-M245 WeakPolarHBondContact O-CG 3.48Å; V241-M245 PolarHBondContact O-N 3.05Å; Y242-M245 PolarHBondContact O-N 2.92Å; Y243-M245 PolarHBondContact O-N 2.52Å
246	N	92.6	Very high	93.2	Very high	21 Å²	21	36 Å²	36	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-107.3	-8.6	-176.9	-74.3	-83.5	0	0	0	113.8	Y242 Y243 L244 E383 R384	Y242-N246 WeakPolarHBondContact CD2-ND2 3.22Å; Y242-N246 VanDerWaalsContact CE2-ND2 3.29Å; Y242-N246 WeakPolarHBondContact CE2-ND2 3.23Å; Y242-N246 PolarHBondContact O-N 3.43Å; Y242-N246 PolarHBondContact O-ND2 2.98Å; Y243-N246 PolarHBondContact O-N 2.71Å; L244-N246 VanDerWaalsContact C-N 3.31Å; N246-E383 CarbonylContact O-C 3.57Å; N246-E383 VanDerWaalsContact O-C 3.24Å; N246-E383 VanDerWaalsContact O-O 3.13Å; N246-R384 WeakPolarHBondContact O-CA 3.09Å; N246-R384 PolarHBondContact O-N 3.43Å
247	I	90.3	Very high	93.4	Very high	21 Å²	21	36 Å²	36	11%	0.108	19%	0.19	C	C	.	.			trans	-85	145.2	176.2	61.2	171.4	0	0	0	111.5	K59 Y243 L244 E383	K59-I247 HydrophobicContact CD-CG2 4.28Å; Y243-I247 HydrophobicContact CD1-CG2 4.2Å; Y243-I247 HydrophobicContact CD2-CG2 4.44Å; Y243-I247 HydrophobicContact CE1-CD1 4.45Å; Y243-I247 HydrophobicContact CE1-CG2 3.69Å; Y243-I247 HydrophobicContact CE2-CG2 3.98Å; Y243-I247 PolarHBondContact O-N 3.36Å; L244-I247 HydrophobicContact CD2-CD1 3.96Å; L244-I247 WeakPolarHBondContact O-CG1 3.33Å; I247-E383 HydrophobicContact CG2-CB 4.17Å; I247-E383 HydrophobicContact CG2-CG 4.32Å
248	H	83.7	Confident	93.5	Very high	32 Å²	32	36.3 Å²	36.3	15%	0.148	19%	0.191	C	C	.	.			trans	-136.6	161.5	167.4	68.4	92.3	0	0	0	111.4	H250 R252 E383 R384 Q385	H248-H250 WeakPolarHBondContact ND1-CB 3.5Å; H248-H250 AromaticContact ND1-CD2 3.64Å; H248-H250 AromaticContact ND1-CG 3.9Å; H248-H250 PolarHBondContact ND1-N 3.02Å; H248-R252 VanDerWaalsContact CE1-CZ 3.4Å; H248-R252 PolarHBondContact CE1-NH1 3.37Å; H248-R252 PolarHBondContact ND1-NH1 3.15Å; H248-R252 VanDerWaalsContact NE2-CZ 3.27Å; H248-R252 PolarHBondContact NE2-NH1 2.81Å; H248-R252 PolarHBondContact O-NH1 2.78Å; H248-E383 PolarHBondContact CD2-O 3.38Å; H248-E383 PolarHBondContact NE2-O 2.61Å; H248-R384 PolarHBondContact CD2-O 2.88Å; H248-R384 PolarHBondContact NE2-O 2.84Å; H248-Q385 PolarHBondContact NE2-O 3.48Å; H248-Q385 VanDerWaalsContact NE2-O 3.16Å
249	V	78	Confident	93.5	Very high	66 Å²	66	33.9 Å²	33.9	40%	0.4	17%	0.173	S	C	.	.			trans	-99.4	-4	-178	-50.7	0	0	0	0	113.8	Y55 V223	Y55-V249 HydrophobicContact CD1-CG1 4.39Å; Y55-V249 HydrophobicContact CE1-CG1 3.97Å; V223-V249 HydrophobicContact CG1-CB 4.06Å; V223-V249 HydrophobicContact CG1-CG1 3.64Å; V223-V249 HydrophobicContact CG1-CG2 3.3Å
250	H	80.2	Confident	93.7	Very high	131 Å²	131	32 Å²	32	61%	0.606	17%	0.165	S	C	*	.	S	Bend	trans	-56.6	131	178.3	-57.7	-64	0	0	0	111.1	H248 R252	H248-H250 WeakPolarHBondContact ND1-CB 3.5Å; H248-H250 AromaticContact ND1-CD2 3.64Å; H248-H250 AromaticContact ND1-CG 3.9Å; H248-H250 PolarHBondContact ND1-N 3.02Å; H250-R252 PolarHBondContact O-N 2.6Å; H250-R252 PolarHBondContact O-NH1 3.45Å
251	P	84.2	Confident	93.7	Very high	130 Å²	130	32 Å²	32	84%	0.844	17%	0.165	S	C	*	.			trans	-55.6	137.2	173.6	-24.8	34	0	0	0	110.9
252	R	91.8	Very high	93.8	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.042	16%	0.162	C	C	.	.			trans	-159.2	167.2	-179.9	60.4	-179.7	-179	-84.1	20.9	110.7	H248 H250 L382 E383 Q385 P427	H248-R252 VanDerWaalsContact CE1-CZ 3.4Å; H248-R252 PolarHBondContact CE1-NH1 3.37Å; H248-R252 PolarHBondContact ND1-NH1 3.15Å; H248-R252 VanDerWaalsContact NE2-CZ 3.27Å; H248-R252 PolarHBondContact NE2-NH1 2.81Å; H248-R252 PolarHBondContact O-NH1 2.78Å; H250-R252 PolarHBondContact O-N 2.6Å; H250-R252 PolarHBondContact O-NH1 3.45Å; R252-L382 PolarHBondContact NH2-O 3.2Å; R252-E383 PolarHBondContact NH2-O 3.35Å; R252-E383 IonicContact NH2-OE2 3.21Å; R252-E383 PolarHBondContact NH2-OE2 3.24Å; R252-E383 VanDerWaalsContact NH2-OE2 3.08Å; R252-Q385 WeakPolarHBondContact CD-O 3.46Å; R252-Q385 PolarHBondContact NE-O 3.33Å; R252-Q385 VanDerWaalsContact NE-O 3.1Å; R252-P427 WeakPolarHBondContact O-CD 3.18Å
253	T	96.4	Very high	93.9	Very high	25 Å²	25	30.7 Å²	30.7	15%	0.153	16%	0.162	C	C	.	.			trans	-124.5	131.8	175.1	-57.8	0	0	0	0	111.2	Y255 N387 I388 K424 L425	T253-Y255 HydrophobicContact CG2-CD2 4Å; T253-Y255 HydrophobicContact CG2-CE1 4.09Å; T253-Y255 HydrophobicContact CG2-CE2 3.38Å; T253-Y255 VanDerWaalsContact CG2-CZ 3.45Å; T253-N387 PolarHBondContact N-OD1 3.22Å; T253-N387 VanDerWaalsContact N-OD1 3.07Å; T253-N387 WeakPolarHBondContact O-CA 3.49Å; T253-I388 PolarHBondContact O-N 3.29Å; T253-K424 HydrophobicContact CG2-CD 4.27Å; T253-K424 HydrophobicContact CG2-CG 3.5Å; T253-L425 WeakPolarHBondContact CA-O 3.49Å
254	I	98.2	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124	175.7	-60.8	167.4	0	0	0	107.3	L256 L382 I388 F404 L425	I254-L256 HydrophobicContact CG2-CD2 3.86Å; I254-L256 HydrophobicContact CG2-CG 4.21Å; I254-L382 HydrophobicContact CG2-CD2 4.45Å; I254-I388 CarbonylContact C-O 3.58Å; I254-I388 WeakPolarHBondContact CA-O 3.33Å; I254-I388 HydrophobicContact CB-CG2 4.19Å; I254-I388 HydrophobicContact CG1-CG2 3.79Å; I254-I388 HydrophobicContact CG2-CG2 4.04Å; I254-F404 HydrophobicContact CD1-CD1 4.42Å; I254-F404 HydrophobicContact CD1-CE1 3.55Å; I254-F404 HydrophobicContact CD1-CE2 4.29Å; I254-F404 HydrophobicContact CD1-CZ 3.49Å; I254-F404 VanDerWaalsContact CD1-CZ 3.49Å; I254-L425 HydrophobicContact CB-CB 4.1Å; I254-L425 HydrophobicContact CG2-CD1 4.28Å; I254-L425 PolarHBondContact N-O 3.23Å; I254-L425 WeakPolarHBondContact O-CA 3.28Å; I254-L425 VanDerWaalsContact O-CB 3.31Å; I254-L425 WeakPolarHBondContact O-CB 3.48Å; I254-L425 PolarHBondContact O-N 2.9Å
255	Y	98.8	Very high	94.1	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.6	175.6	-60.5	-95.1	0	0	0	108.6	T253 F290 I296 L299 I388 L389 V390 I422 F423 K424	T253-Y255 HydrophobicContact CG2-CD2 4Å; T253-Y255 HydrophobicContact CG2-CE1 4.09Å; T253-Y255 HydrophobicContact CG2-CE2 3.38Å; T253-Y255 VanDerWaalsContact CG2-CZ 3.45Å; Y255-F290 HydrophobicContact CD1-CE1 4.25Å; Y255-F290 HydrophobicContact CE1-CE1 4.09Å; Y255-F290 HydrophobicContact CE1-CZ 4.07Å; Y255-I296 HydrophobicContact CD2-CD1 4.25Å; Y255-I296 HydrophobicContact CE1-CD1 4.29Å; Y255-I296 HydrophobicContact CE2-CD1 3.45Å; Y255-I296 VanDerWaalsContact CE2-CD1 3.45Å; Y255-I296 HydrophobicContact CE2-CG1 4.32Å; Y255-I296 VanDerWaalsContact CZ-CD1 3.46Å; Y255-I296 WeakPolarHBondContact OH-CD1 3.47Å; Y255-L299 HydrophobicContact CD2-CD1 4.43Å; Y255-I388 PolarHBondContact N-O 3.06Å; Y255-L389 CarbonylContact O-C 3.58Å; Y255-L389 WeakPolarHBondContact O-CA 3.31Å; Y255-V390 PolarHBondContact O-N 3.23Å; Y255-I422 HydrophobicContact CD1-CG2 3.84Å; Y255-F423 WeakPolarHBondContact CA-O 3.27Å; Y255-K424 HydrophobicContact CD1-CB 4.11Å; Y255-K424 HydrophobicContact CD1-CG 4.18Å; Y255-K424 HydrophobicContact CE1-CB 4.08Å; Y255-K424 HydrophobicContact CE1-CD 3.94Å; Y255-K424 HydrophobicContact CE1-CG 3.73Å
256	L	98.9	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	173.8	-56.4	-177.3	0	0	0	108.9	I254 V390 M397 L400 L401 F423 L425	I254-L256 HydrophobicContact CG2-CD2 3.86Å; I254-L256 HydrophobicContact CG2-CG 4.21Å; L256-V390 HydrophobicContact CD2-CB 3.7Å; L256-V390 HydrophobicContact CD2-CG2 3.9Å; L256-M397 HydrophobicContact CB-CE 3.81Å; L256-M397 HydrophobicContact CB-CG 4.34Å; L256-M397 HydrophobicContact CB-SD 4.47Å; L256-M397 VanDerWaalsContact O-CE 3.31Å; L256-M397 WeakPolarHBondContact O-CE 3.45Å; L256-L400 HydrophobicContact CD1-CB 3.99Å; L256-L400 HydrophobicContact CD2-CD1 4.2Å; L256-L401 HydrophobicContact CD1-CD2 3.91Å; L256-L401 HydrophobicContact CD1-CG 3.96Å; L256-F423 HydrophobicContact CB-CB 4.32Å; L256-F423 PolarHBondContact N-O 3.45Å; L256-F423 PolarHBondContact O-N 3.39Å; L256-L425 HydrophobicContact CD1-CD1 3.62Å; L256-L425 HydrophobicContact CG-CD1 3.99Å
257	C	98.8	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164.9	166.8	68.2	0	0	0	0	110.3	F283 V390 I391 S392 I422	C257-F283 HydrophobicContact CB-CZ 4.46Å; C257-V390 PolarHBondContact N-O 3.29Å; C257-V390 VanDerWaalsContact N-O 3.1Å; C257-V390 VanDerWaalsContact O-O 3.1Å; C257-I391 WeakPolarHBondContact O-CA 3.18Å; C257-S392 PolarHBondContact O-N 2.77Å; C257-I422 HydrophobicContact CB-CG1 4.42Å
258	R	98.8	Very high	94.9	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	164.2	168.3	-69.2	168.4	59.8	-173.3	-0.8	109.5	S392 M397 C417 L419 T446	R258-S392 CarbonylContact C-O 3.29Å; R258-S392 WeakPolarHBondContact CA-O 3.43Å; R258-M397 HydrophobicContact CG-SD 3.89Å; R258-C417 WeakPolarHBondContact CD-O 3.41Å; R258-C417 PolarHBondContact NH1-O 3.15Å; R258-L419 HydrophobicContact CB-CD2 4.15Å; R258-L419 VanDerWaalsContact CZ-CD2 3.47Å; R258-T446 PolarHBondContact NH1-OG1 3.48Å; R258-T446 PolarHBondContact NH2-OG1 3.37Å
259	H	98.8	Very high	95.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.019	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-48.4	155.6	157.9	58.2	80.2	0	0	0	111.4	N265 R308 T309 S392 H393 L419	H259-N265 PolarHBondContact CE1-OD1 2.9Å; H259-R308 HydrophobicContact CB-CB 3.94Å; H259-R308 HydrophobicContact CB-CG 3.9Å; H259-R308 WeakPolarHBondContact CB-O 3.49Å; H259-R308 VanDerWaalsContact CD2-CD 3.49Å; H259-R308 WeakPolarHBondContact CD2-CD 3.34Å; H259-R308 PolarHBondContact CD2-NE 3.05Å; H259-R308 WeakPolarHBondContact NE2-CD 3.44Å; H259-R308 PolarHBondContact NE2-NE 2.86Å; H259-T309 HydrophobicContact CB-CG2 3.88Å; H259-S392 PolarHBondContact CD2-O 3.42Å; H259-S392 VanDerWaalsContact CD2-O 3.25Å; H259-S392 PolarHBondContact N-O 3.28Å; H259-H393 AromaticContact CD2-CE1 3.86Å; H259-H393 AromaticContact CD2-ND1 3.25Å; H259-H393 PolarHBondContact CD2-ND1 3.47Å; H259-H393 VanDerWaalsContact CD2-ND1 3.25Å; H259-H393 AromaticContact NE2-ND1 3.57Å; H259-L419 WeakPolarHBondContact O-CD2 3.37Å
260	G	98.8	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-57.1	157.4	166	0	0	0	0	0	111.6	S262 L276 F283 T312	G260-S262 PolarHBondContact O-N 3.49Å; G260-L276 WeakPolarHBondContact O-CD2 3.4Å; G260-F283 VanDerWaalsContact CA-CD1 3.41Å; G260-T312 PolarHBondContact N-OG1 3.18Å
261	E	98.9	Very high	97.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-46.8	131.9	177.6	-177.3	-177.5	-105.9	0	0	111.7	N265 L266 L276 S277 R279 G280 L419 H420 A443 V444	E261-N265 HydrophobicContact CG-CB 4.13Å; E261-L266 HydrophobicContact CG-CD2 4.39Å; E261-L266 HydrophobicContact CG-CG 4.41Å; E261-L266 WeakPolarHBondContact OE2-CD2 3.44Å; E261-L276 WeakPolarHBondContact O-CA 3.38Å; E261-S277 PolarHBondContact O-N 3.29Å; E261-S277 PolarHBondContact O-OG 3.21Å; E261-S277 PolarHBondContact OE2-OG 3.18Å; E261-R279 VanDerWaalsContact CD-NH2 3.33Å; E261-R279 IonicContact OE1-CZ 3.45Å; E261-R279 IonicContact OE1-NE 3.61Å; E261-R279 IonicContact OE1-NH2 2.68Å; E261-R279 PolarHBondContact OE1-NH2 3.25Å; E261-R279 IonicContact OE2-CZ 3.49Å; E261-R279 IonicContact OE2-NE 2.9Å; E261-R279 PolarHBondContact OE2-NE 2.92Å; E261-R279 IonicContact OE2-NH2 3.23Å; E261-R279 PolarHBondContact OE2-NH2 2.93Å; E261-G280 WeakPolarHBondContact O-CA 3.18Å; E261-L419 HydrophobicContact CB-CD1 4.13Å; E261-L419 HydrophobicContact CG-CD1 4.19Å; E261-H420 PolarHBondContact N-NE2 2.86Å; E261-A443 WeakPolarHBondContact OE1-CA 3.37Å; E261-V444 PolarHBondContact OE1-N 3.48Å
262	S	98.8	Very high	98	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-106	163.4	179.3	66.2	0	0	0	0	112.1	G260 F264 N265 L266 G275	G260-S262 PolarHBondContact O-N 3.49Å; S262-F264 PolarHBondContact O-N 2.84Å; S262-N265 PolarHBondContact N-OD1 2.96Å; S262-N265 WeakPolarHBondContact O-CB 3.38Å; S262-N265 PolarHBondContact O-N 2.98Å; S262-N265 PolarHBondContact OG-N 3.39Å; S262-N265 PolarHBondContact OG-OD1 2.9Å; S262-L266 PolarHBondContact O-N 3.48Å; S262-G275 VanDerWaalsContact CA-O 3.27Å; S262-G275 WeakPolarHBondContact CA-O 2.89Å; S262-G275 VanDerWaalsContact CB-O 3.3Å; S262-G275 WeakPolarHBondContact CB-O 3.39Å
263	E	98.8	Very high	98.3	Very high	86 Å²	86	29.2 Å²	29.2	40%	0.402	16%	0.164	S	C	.	.	H	α-helix	trans	-56.4	-38.6	175	-62.9	-59	152.6	0	0	112	N265 L266 L267 G275 S277	E263-N265 VanDerWaalsContact C-N 3.29Å; E263-N265 PolarHBondContact O-N 2.9Å; E263-L266 WeakPolarHBondContact O-CB 3.42Å; E263-L266 PolarHBondContact O-N 3.06Å; E263-L267 WeakPolarHBondContact O-CG 3.37Å; E263-L267 PolarHBondContact O-N 3.04Å; E263-L267 VanDerWaalsContact O-N 3.15Å; E263-G275 PolarHBondContact N-O 2.71Å; E263-G275 VanDerWaalsContact N-O 3.08Å; E263-S277 WeakPolarHBondContact OE1-CA 3.23Å
264	F	98.7	Very high	98.4	Very high	34 Å²	34	28.8 Å²	28.8	15%	0.149	16%	0.162	C	C	.	.	H	α-helix	trans	-69.6	-26.5	176.3	-82.8	15.6	0	0	0	113.2	S262 L267 G268 K269 S274 E336	S262-F264 PolarHBondContact O-N 2.84Å; F264-L267 HydrophobicContact CD1-CD1 4.4Å; F264-L267 CarbonylContact O-C 3.32Å; F264-L267 PolarHBondContact O-N 2.79Å; F264-G268 PolarHBondContact O-N 2.81Å; F264-K269 HydrophobicContact CB-CB 3.99Å; F264-K269 HydrophobicContact CD1-CB 4.45Å; F264-K269 HydrophobicContact CD1-CD 4.22Å; F264-K269 HydrophobicContact CD2-CB 3.92Å; F264-K269 HydrophobicContact CE1-CD 4.17Å; F264-K269 HydrophobicContact CE2-CB 4.49Å; F264-K269 HydrophobicContact CG-CB 3.88Å; F264-K269 HydrophobicContact CG-CD 4.46Å; F264-K269 HydrophobicContact CZ-CD 4.35Å; F264-K269 PolarHBondContact O-N 3.46Å; F264-S274 WeakPolarHBondContact CB-OG 3.43Å; F264-S274 WeakPolarHBondContact CG-OG 3.38Å; F264-S274 PolarHBondContact N-OG 3.21Å; F264-E336 HydrophobicContact CE2-CB 3.85Å; F264-E336 HydrophobicContact CE2-CG 3.84Å; F264-E336 HydrophobicContact CZ-CB 4.2Å; F264-E336 HydrophobicContact CZ-CG 4.29Å
265	N	98.6	Very high	98.4	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.123	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-44.6	172.4	-56.2	136.3	0	0	0	110.7	H259 E261 S262 E263 L267 G268 L419 V444 T446	H259-N265 PolarHBondContact CE1-OD1 2.9Å; E261-N265 HydrophobicContact CG-CB 4.13Å; S262-N265 PolarHBondContact N-OD1 2.96Å; S262-N265 WeakPolarHBondContact O-CB 3.38Å; S262-N265 PolarHBondContact O-N 2.98Å; S262-N265 PolarHBondContact OG-N 3.39Å; S262-N265 PolarHBondContact OG-OD1 2.9Å; E263-N265 VanDerWaalsContact C-N 3.29Å; E263-N265 PolarHBondContact O-N 2.9Å; N265-L267 PolarHBondContact O-N 3.44Å; N265-G268 PolarHBondContact O-N 3.4Å; N265-L419 HydrophobicContact CB-CD1 4.24Å; N265-V444 HydrophobicContact CB-CG2 3.78Å; N265-T446 HydrophobicContact CB-CG2 4.23Å
266	L	98.6	Very high	98.4	Very high	80 Å²	80	29.7 Å²	29.7	42%	0.419	17%	0.172	S	C	.	.	H	α-helix	trans	-58.3	-37.1	175.8	-67.6	177.5	0	0	0	112.4	E261 S262 E263 G268 V444	E261-L266 HydrophobicContact CG-CD2 4.39Å; E261-L266 HydrophobicContact CG-CG 4.41Å; E261-L266 WeakPolarHBondContact OE2-CD2 3.44Å; S262-L266 PolarHBondContact O-N 3.48Å; E263-L266 WeakPolarHBondContact O-CB 3.42Å; E263-L266 PolarHBondContact O-N 3.06Å; L266-G268 VanDerWaalsContact C-N 3.33Å; L266-V444 HydrophobicContact CD2-CG1 3.94Å
267	L	98.3	Very high	98.4	Very high	104 Å²	104	29.9 Å²	29.9	55%	0.545	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.4	178	-61.7	175.2	0	0	0	114	E263 F264 N265 K269 T338	E263-L267 WeakPolarHBondContact O-CG 3.37Å; E263-L267 PolarHBondContact O-N 3.04Å; E263-L267 VanDerWaalsContact O-N 3.15Å; F264-L267 HydrophobicContact CD1-CD1 4.4Å; F264-L267 CarbonylContact O-C 3.32Å; F264-L267 PolarHBondContact O-N 2.79Å; N265-L267 PolarHBondContact O-N 3.44Å; L267-K269 HydrophobicContact CB-CD 4.18Å; L267-K269 HydrophobicContact CB-CG 4.14Å; L267-K269 HydrophobicContact CD1-CD 4.29Å; L267-K269 PolarHBondContact O-N 2.82Å; L267-T338 WeakPolarHBondContact O-CG2 3.22Å
268	G	97.9	Very high	98.4	Very high	43 Å²	43	34.8 Å²	34.8	44%	0.443	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	20.2	-175.8	0	0	0	0	0	114.8	F264 N265 L266 T338	F264-G268 PolarHBondContact O-N 2.81Å; N265-G268 PolarHBondContact O-N 3.4Å; L266-G268 VanDerWaalsContact C-N 3.33Å; G268-T338 WeakPolarHBondContact O-CA 3.31Å
269	K	98.5	Very high	98.4	Very high	60 Å²	60	38.1 Å²	38.1	26%	0.261	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-88.3	142.6	-180	-71.2	177.6	168.3	-115.2	0	111.6	F264 L267 E336 M337 T338	F264-K269 HydrophobicContact CB-CB 3.99Å; F264-K269 HydrophobicContact CD1-CB 4.45Å; F264-K269 HydrophobicContact CD1-CD 4.22Å; F264-K269 HydrophobicContact CD2-CB 3.92Å; F264-K269 HydrophobicContact CE1-CD 4.17Å; F264-K269 HydrophobicContact CE2-CB 4.49Å; F264-K269 HydrophobicContact CG-CB 3.88Å; F264-K269 HydrophobicContact CG-CD 4.46Å; F264-K269 HydrophobicContact CZ-CD 4.35Å; F264-K269 PolarHBondContact O-N 3.46Å; L267-K269 HydrophobicContact CB-CD 4.18Å; L267-K269 HydrophobicContact CB-CG 4.14Å; L267-K269 HydrophobicContact CD1-CD 4.29Å; L267-K269 PolarHBondContact O-N 2.82Å; K269-E336 WeakPolarHBondContact CD-O 3.48Å; K269-E336 PolarHBondContact NZ-O 2.86Å; K269-M337 CarbonylContact C-O 3.58Å; K269-M337 WeakPolarHBondContact CA-O 3.47Å; K269-T338 HydrophobicContact CG-CG2 3.9Å
270	I	97.9	Very high	98.4	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.128	22%	0.215	C	C	.	.			trans	-95.2	157.6	175.3	71.1	172.8	0	0	0	111.5	A331 C334 E336 M337 Y339 I342	I270-A331 HydrophobicContact CD1-CB 3.68Å; I270-A331 HydrophobicContact CG1-CB 4.26Å; I270-C334 HydrophobicContact CD1-CB 4.42Å; I270-C334 WeakPolarHBondContact CG1-O 3.42Å; I270-E336 VanDerWaalsContact O-CA 3.31Å; I270-E336 WeakPolarHBondContact O-CA 3.4Å; I270-E336 PolarHBondContact O-N 2.86Å; I270-M337 WeakPolarHBondContact CG1-O 3.3Å; I270-M337 PolarHBondContact N-O 2.8Å; I270-Y339 HydrophobicContact CG2-CD2 4.36Å; I270-Y339 HydrophobicContact CG2-CE1 4.3Å; I270-Y339 HydrophobicContact CG2-CE2 3.8Å; I270-I342 HydrophobicContact CD1-CD1 3.55Å; I270-I342 HydrophobicContact CG1-CD1 4.28Å
271	G	96.6	Very high	98.4	Very high	15 Å²	15	43.1 Å²	43.1	16%	0.155	24%	0.237	C	C	.	.	S	Bend	trans	69.3	-146.8	175.6	0	0	0	0	0	114.2	E335	G271-E335 WeakPolarHBondContact CA-OE2 3.31Å
272	G	97.1	Very high	98.4	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	26%	0.259	C	S	.	.	S	Bend	trans	66.2	-173.9	177.8	0	0	0	0	0	114.7	R308 E335	G272-R308 PolarHBondContact O-NH1 2.69Å; G272-E335 PolarHBondContact N-OE2 3.29Å
273	D	98.5	Very high	98.4	Very high	86 Å²	86	47.8 Å²	47.8	46%	0.46	26%	0.259	S	S	.	.			trans	-129.8	40.1	-179.7	-165.2	32.3	0	0	0	112.5	L306 K307	D273-L306 HydrophobicContact CB-CD2 4.41Å; D273-L306 VanDerWaalsContact OD1-CA 3.31Å; D273-L306 WeakPolarHBondContact OD1-CA 3.42Å; D273-L306 WeakPolarHBondContact OD1-CB 3.02Å; D273-K307 WeakPolarHBondContact OD1-CB 3.4Å; D273-K307 PolarHBondContact OD1-N 2.77Å
274	S	98.4	Very high	98.4	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.112	24%	0.24	C	C	.	.			trans	-65.4	153.4	176.1	66.8	0	0	0	0	112.2	F264	F264-S274 WeakPolarHBondContact CB-OG 3.43Å; F264-S274 WeakPolarHBondContact CG-OG 3.38Å; F264-S274 PolarHBondContact N-OG 3.21Å
275	G	98.6	Very high	98.4	Very high	18 Å²	18	47.5 Å²	47.5	19%	0.186	26%	0.258	C	S	.	.			trans	-82.6	176.9	176.5	0	0	0	0	0	113.3	S262 E263	S262-G275 VanDerWaalsContact CA-O 3.27Å; S262-G275 WeakPolarHBondContact CA-O 2.89Å; S262-G275 VanDerWaalsContact CB-O 3.3Å; S262-G275 WeakPolarHBondContact CB-O 3.39Å; E263-G275 PolarHBondContact N-O 2.71Å; E263-G275 VanDerWaalsContact N-O 3.08Å
276	L	98.8	Very high	98.4	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.052	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-66.1	140.1	174.9	-63.8	-177.9	0	0	0	112.4	G260 E261 K281 R308 Q311	G260-L276 WeakPolarHBondContact O-CD2 3.4Å; E261-L276 WeakPolarHBondContact O-CA 3.38Å; L276-K281 HydrophobicContact CB-CG 3.99Å; L276-K281 HydrophobicContact CD1-CG 4.27Å; L276-R308 HydrophobicContact CD2-CB 4.06Å; L276-Q311 HydrophobicContact CD1-CB 3.63Å; L276-Q311 HydrophobicContact CG-CB 3.86Å
277	S	98.8	Very high	98.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.021	24%	0.242	C	C	.	.			trans	-68.5	173.3	163.6	82.7	0	0	0	0	110.9	E261 E263 R279 G280 K281	E261-S277 PolarHBondContact O-N 3.29Å; E261-S277 PolarHBondContact O-OG 3.21Å; E261-S277 PolarHBondContact OE2-OG 3.18Å; E263-S277 WeakPolarHBondContact OE1-CA 3.23Å; S277-R279 VanDerWaalsContact C-N 3.28Å; S277-R279 PolarHBondContact O-N 3.32Å; S277-R279 PolarHBondContact OG-N 3.36Å; S277-G280 PolarHBondContact O-N 3.04Å; S277-G280 PolarHBondContact OG-N 3.1Å; S277-G280 VanDerWaalsContact OG-N 3.07Å; S277-K281 WeakPolarHBondContact O-CG 3.48Å; S277-K281 PolarHBondContact O-N 3.41Å
278	V	98.6	Very high	98.4	Very high	104 Å²	104	42.3 Å²	42.3	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-57.7	-43.2	172.5	179.9	0	0	0	0	111	K281 Q282	V278-K281 PolarHBondContact O-N 3.49Å; V278-Q282 WeakPolarHBondContact O-CG 3.29Å; V278-Q282 PolarHBondContact O-N 2.88Å; V278-Q282 VanDerWaalsContact O-N 3.1Å
279	R	98.7	Very high	98.4	Very high	74 Å²	74	46.2 Å²	46.2	28%	0.279	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-35.7	176.3	-62.3	-167.8	-63.1	-170.8	-2.5	112	E261 S277 K281 Q282 F283 V441 D442	E261-R279 VanDerWaalsContact CD-NH2 3.33Å; E261-R279 IonicContact OE1-CZ 3.45Å; E261-R279 IonicContact OE1-NE 3.61Å; E261-R279 IonicContact OE1-NH2 2.68Å; E261-R279 PolarHBondContact OE1-NH2 3.25Å; E261-R279 IonicContact OE2-CZ 3.49Å; E261-R279 IonicContact OE2-NE 2.9Å; E261-R279 PolarHBondContact OE2-NE 2.92Å; E261-R279 IonicContact OE2-NH2 3.23Å; E261-R279 PolarHBondContact OE2-NH2 2.93Å; S277-R279 VanDerWaalsContact C-N 3.28Å; S277-R279 PolarHBondContact O-N 3.32Å; S277-R279 PolarHBondContact OG-N 3.36Å; R279-K281 VanDerWaalsContact C-N 3.3Å; R279-K281 PolarHBondContact O-N 3.19Å; R279-Q282 WeakPolarHBondContact O-CB 3.48Å; R279-Q282 PolarHBondContact O-N 3.26Å; R279-F283 PolarHBondContact O-N 2.92Å; R279-V441 HydrophobicContact CB-CG1 4.22Å; R279-V441 WeakPolarHBondContact O-CG1 3.45Å; R279-D442 WeakPolarHBondContact CD-O 3.41Å; R279-D442 PolarHBondContact NE-O 3.14Å
280	G	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-38.8	173.4	0	0	0	0	0	113.1	E261 S277 F283 A284	E261-G280 WeakPolarHBondContact O-CA 3.18Å; S277-G280 PolarHBondContact O-N 3.04Å; S277-G280 PolarHBondContact OG-N 3.1Å; S277-G280 VanDerWaalsContact OG-N 3.07Å; G280-F283 PolarHBondContact O-N 3.29Å; G280-A284 PolarHBondContact O-N 3.42Å
281	K	98.8	Very high	98.4	Very high	109 Å²	109	43.8 Å²	43.8	47%	0.474	23%	0.226	S	C	.	.	H	α-helix	trans	-67.2	-40.7	173.6	-66.5	173.7	-175.1	175.2	0	112	L276 S277 V278 R279 F283 A284 H285	L276-K281 HydrophobicContact CB-CG 3.99Å; L276-K281 HydrophobicContact CD1-CG 4.27Å; S277-K281 WeakPolarHBondContact O-CG 3.48Å; S277-K281 PolarHBondContact O-N 3.41Å; V278-K281 PolarHBondContact O-N 3.49Å; R279-K281 VanDerWaalsContact C-N 3.3Å; R279-K281 PolarHBondContact O-N 3.19Å; K281-F283 VanDerWaalsContact C-N 3.34Å; K281-F283 PolarHBondContact O-N 2.99Å; K281-A284 WeakPolarHBondContact O-CB 3.26Å; K281-A284 PolarHBondContact O-N 3.01Å; K281-H285 PolarHBondContact O-CD2 3.04Å; K281-H285 PolarHBondContact O-N 3.01Å; K281-H285 VanDerWaalsContact O-N 3.09Å
282	Q	98.8	Very high	98.4	Very high	101 Å²	101	48.6 Å²	48.6	47%	0.472	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-43.7	173.7	-69.8	170.2	-16.1	0	0	111.5	V278 R279 A284 H285 A286 V441	V278-Q282 WeakPolarHBondContact O-CG 3.29Å; V278-Q282 PolarHBondContact O-N 2.88Å; V278-Q282 VanDerWaalsContact O-N 3.1Å; R279-Q282 WeakPolarHBondContact O-CB 3.48Å; R279-Q282 PolarHBondContact O-N 3.26Å; Q282-A284 VanDerWaalsContact C-N 3.33Å; Q282-A284 PolarHBondContact O-N 3.17Å; Q282-H285 PolarHBondContact O-N 3.32Å; Q282-A286 PolarHBondContact O-N 3.19Å; Q282-V441 HydrophobicContact CB-CG1 3.94Å; Q282-V441 HydrophobicContact CB-CG2 4.29Å
283	F	98.8	Very high	98.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-43.5	173.6	167	-102.5	0	0	0	112	C257 G260 R279 G280 K281 H285 A286 L287 T312 H420 L439 V441	C257-F283 HydrophobicContact CB-CZ 4.46Å; G260-F283 VanDerWaalsContact CA-CD1 3.41Å; R279-F283 PolarHBondContact O-N 2.92Å; G280-F283 PolarHBondContact O-N 3.29Å; K281-F283 VanDerWaalsContact C-N 3.34Å; K281-F283 PolarHBondContact O-N 2.99Å; F283-H285 VanDerWaalsContact C-N 3.29Å; F283-H285 PolarHBondContact O-N 2.89Å; F283-A286 PolarHBondContact O-N 3.09Å; F283-A286 VanDerWaalsContact O-N 3.15Å; F283-L287 HydrophobicContact CE1-CD2 4.18Å; F283-L287 HydrophobicContact CZ-CB 4.41Å; F283-L287 HydrophobicContact CZ-CD2 4.19Å; F283-L287 WeakPolarHBondContact O-CB 3.17Å; F283-L287 PolarHBondContact O-N 2.88Å; F283-T312 HydrophobicContact CD1-CG2 4.24Å; F283-T312 HydrophobicContact CE1-CG2 3.97Å; F283-H420 VanDerWaalsContact CB-CD2 3.41Å; F283-H420 WeakPolarHBondContact CB-CD2 3.37Å; F283-H420 WeakPolarHBondContact CB-NE2 3.17Å; F283-H420 AromaticContact CD1-CD2 3.79Å; F283-H420 VanDerWaalsContact CD2-CA 3.48Å; F283-H420 HydrophobicContact CD2-CB 3.54Å; F283-H420 AromaticContact CD2-CD2 3.66Å; F283-H420 AromaticContact CD2-CG 3.64Å; F283-H420 HydrophobicContact CE2-CB 3.99Å; F283-H420 HydrophobicContact CG-CB 4.15Å; F283-H420 AromaticContact CG-CD2 3.3Å; F283-H420 WeakPolarHBondContact CG-CD2 3.39Å; F283-H420 AromaticContact CG-CG 3.72Å; F283-H420 AromaticContact CG-NE2 3.87Å; F283-L439 HydrophobicContact CD2-CB 4.28Å; F283-L439 HydrophobicContact CD2-CD1 3.86Å; F283-L439 HydrophobicContact CD2-CG 4.45Å; F283-L439 HydrophobicContact CE2-CB 4.39Å; F283-L439 HydrophobicContact CE2-CD1 3.46Å; F283-L439 VanDerWaalsContact CE2-CD1 3.46Å; F283-L439 HydrophobicContact CE2-CG 4.09Å; F283-L439 HydrophobicContact CZ-CD1 4.36Å; F283-V441 HydrophobicContact CB-CB 4.43Å; F283-V441 HydrophobicContact CB-CG1 4.38Å
284	A	98.8	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-38.2	178.6	0	0	0	0	0	112.2	G280 K281 Q282 L287 K288 T312	G280-A284 PolarHBondContact O-N 3.42Å; K281-A284 WeakPolarHBondContact O-CB 3.26Å; K281-A284 PolarHBondContact O-N 3.01Å; Q282-A284 VanDerWaalsContact C-N 3.33Å; Q282-A284 PolarHBondContact O-N 3.17Å; A284-L287 PolarHBondContact O-N 2.89Å; A284-K288 PolarHBondContact O-N 3.22Å; A284-T312 HydrophobicContact CB-CG2 4.09Å
285	H	98.5	Very high	98	Very high	114 Å²	114	60.3 Å²	60.3	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-69.1	-40	172.7	-67.7	-54.3	0	0	0	112.9	K281 Q282 F283 L287 K288 K289	K281-H285 PolarHBondContact O-CD2 3.04Å; K281-H285 PolarHBondContact O-N 3.01Å; K281-H285 VanDerWaalsContact O-N 3.09Å; Q282-H285 PolarHBondContact O-N 3.32Å; F283-H285 VanDerWaalsContact C-N 3.29Å; F283-H285 PolarHBondContact O-N 2.89Å; H285-L287 VanDerWaalsContact C-N 3.3Å; H285-L287 PolarHBondContact O-N 2.8Å; H285-K288 WeakPolarHBondContact O-CB 3.18Å; H285-K288 PolarHBondContact O-N 2.89Å; H285-K289 PolarHBondContact O-N 3.08Å; H285-K289 VanDerWaalsContact O-N 3.11Å
286	A	98.6	Very high	97.8	Very high	27 Å²	27	60.9 Å²	60.9	22%	0.223	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-37.1	174.9	0	0	0	0	0	111.6	Q282 F283 K289 F290 L439 V441	Q282-A286 PolarHBondContact O-N 3.19Å; F283-A286 PolarHBondContact O-N 3.09Å; F283-A286 VanDerWaalsContact O-N 3.15Å; A286-K289 PolarHBondContact O-N 3.19Å; A286-F290 WeakPolarHBondContact O-CB 3.49Å; A286-F290 PolarHBondContact O-N 3.1Å; A286-L439 HydrophobicContact CB-CB 3.97Å; A286-L439 HydrophobicContact CB-CD1 4.15Å; A286-V441 HydrophobicContact CB-CG2 4.2Å
287	L	98.7	Very high	97.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-42.2	175.4	-179	61.8	0	0	0	111	F283 A284 H285 K289 F290 L291 T312 L316 L389 I391 I422 L439	F283-L287 HydrophobicContact CE1-CD2 4.18Å; F283-L287 HydrophobicContact CZ-CB 4.41Å; F283-L287 HydrophobicContact CZ-CD2 4.19Å; F283-L287 WeakPolarHBondContact O-CB 3.17Å; F283-L287 PolarHBondContact O-N 2.88Å; A284-L287 PolarHBondContact O-N 2.89Å; H285-L287 VanDerWaalsContact C-N 3.3Å; H285-L287 PolarHBondContact O-N 2.8Å; L287-K289 PolarHBondContact O-N 2.88Å; L287-F290 HydrophobicContact CD1-CD1 4.34Å; L287-F290 PolarHBondContact O-N 3.49Å; L287-L291 HydrophobicContact CD1-CG 4.49Å; L287-L291 WeakPolarHBondContact O-CG 3.25Å; L287-L291 PolarHBondContact O-N 3.4Å; L287-T312 HydrophobicContact CD2-CG2 4.02Å; L287-L316 HydrophobicContact CB-CD2 4.12Å; L287-L316 HydrophobicContact CD2-CD2 4.04Å; L287-L316 HydrophobicContact CG-CD2 3.81Å; L287-L389 HydrophobicContact CD2-CD2 4.44Å; L287-I391 HydrophobicContact CD2-CD1 4.21Å; L287-I422 HydrophobicContact CD1-CD1 3.5Å; L287-I422 VanDerWaalsContact CD1-CD1 3.5Å; L287-I422 HydrophobicContact CD1-CG1 4.06Å; L287-L439 VanDerWaalsContact CA-CD1 3.45Å; L287-L439 HydrophobicContact CB-CD1 3.83Å; L287-L439 HydrophobicContact CD1-CD1 4.14Å
288	K	98.4	Very high	97.4	Very high	72 Å²	72	74.8 Å²	74.8	31%	0.313	36%	0.359	S	S	.	.	H	α-helix	trans	-54.9	-53.3	172	176.8	175.4	170.3	172.8	0	111.1	A284 H285 F290 L291 E292 S315 L316	A284-K288 PolarHBondContact O-N 3.22Å; H285-K288 WeakPolarHBondContact O-CB 3.18Å; H285-K288 PolarHBondContact O-N 2.89Å; K288-F290 VanDerWaalsContact C-N 3.3Å; K288-F290 PolarHBondContact O-N 2.89Å; K288-L291 PolarHBondContact O-N 3.29Å; K288-L291 VanDerWaalsContact O-N 3.1Å; K288-E292 WeakPolarHBondContact CE-OE1 3.45Å; K288-E292 HydrophobicContact CG-CG 4.48Å; K288-E292 IonicContact NZ-OE1 3.88Å; K288-E292 WeakPolarHBondContact O-CG 3.43Å; K288-E292 PolarHBondContact O-N 2.89Å; K288-S315 WeakPolarHBondContact CD-O 3.46Å; K288-L316 HydrophobicContact CB-CD2 3.99Å
289	K	98	Very high	97.3	Very high	124 Å²	124	71.8 Å²	71.8	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-58.3	-43.5	-179.6	-169.8	-173	-178	-150.8	0	111.7	H285 A286 L287 L291 E292 E293	H285-K289 PolarHBondContact O-N 3.08Å; H285-K289 VanDerWaalsContact O-N 3.11Å; A286-K289 PolarHBondContact O-N 3.19Å; L287-K289 PolarHBondContact O-N 2.88Å; K289-L291 PolarHBondContact O-N 2.97Å; K289-E292 PolarHBondContact O-N 2.95Å; K289-E293 WeakPolarHBondContact CE-OE1 3.42Å; K289-E293 IonicContact NZ-OE1 3.37Å; K289-E293 PolarHBondContact NZ-OE1 2.97Å; K289-E293 WeakPolarHBondContact O-CG 3.18Å; K289-E293 PolarHBondContact O-N 3.37Å
290	F	98.1	Very high	97.3	Very high	14 Å²	14	72 Å²	72	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-57.8	-46.2	175.2	168.9	-96.3	0	0	0	112	Y255 A286 L287 K288 E292 E293 Q294 I422 I437 L439	Y255-F290 HydrophobicContact CD1-CE1 4.25Å; Y255-F290 HydrophobicContact CE1-CE1 4.09Å; Y255-F290 HydrophobicContact CE1-CZ 4.07Å; A286-F290 WeakPolarHBondContact O-CB 3.49Å; A286-F290 PolarHBondContact O-N 3.1Å; L287-F290 HydrophobicContact CD1-CD1 4.34Å; L287-F290 PolarHBondContact O-N 3.49Å; K288-F290 VanDerWaalsContact C-N 3.3Å; K288-F290 PolarHBondContact O-N 2.89Å; F290-E292 PolarHBondContact O-N 3.2Å; F290-E293 PolarHBondContact O-N 3.37Å; F290-Q294 HydrophobicContact CD1-CG 4.3Å; F290-Q294 HydrophobicContact CD2-CG 4.16Å; F290-Q294 HydrophobicContact CE1-CG 3.82Å; F290-Q294 HydrophobicContact CE2-CG 3.65Å; F290-Q294 HydrophobicContact CG-CG 4.47Å; F290-Q294 HydrophobicContact CZ-CG 3.47Å; F290-Q294 VanDerWaalsContact CZ-CG 3.47Å; F290-Q294 VanDerWaalsContact O-CG 3.29Å; F290-Q294 WeakPolarHBondContact O-CG 3.01Å; F290-Q294 PolarHBondContact O-N 3.38Å; F290-I422 HydrophobicContact CD1-CD1 3.29Å; F290-I422 HydrophobicContact CD2-CD1 4.3Å; F290-I422 HydrophobicContact CE1-CD1 3.39Å; F290-I422 HydrophobicContact CE2-CD1 4.38Å; F290-I422 HydrophobicContact CG-CD1 3.77Å; F290-I422 HydrophobicContact CZ-CD1 3.95Å; F290-I437 HydrophobicContact CD2-CG2 4.25Å; F290-I437 HydrophobicContact CE2-CD1 3.78Å; F290-I437 HydrophobicContact CE2-CG2 3.88Å; F290-I437 HydrophobicContact CZ-CD1 3.67Å; F290-L439 HydrophobicContact CB-CD2 3.92Å; F290-L439 HydrophobicContact CD2-CD2 4.16Å; F290-L439 HydrophobicContact CG-CD2 4.08Å
291	L	97.3	Very high	97.3	Very high	21 Å²	21	72.2 Å²	72.2	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-38.1	179.8	-65.5	177.6	0	0	0	112.4	L287 K288 K289 E293 Q294 E295 I296 L299 L316 L389	L287-L291 HydrophobicContact CD1-CG 4.49Å; L287-L291 WeakPolarHBondContact O-CG 3.25Å; L287-L291 PolarHBondContact O-N 3.4Å; K288-L291 PolarHBondContact O-N 3.29Å; K288-L291 VanDerWaalsContact O-N 3.1Å; K289-L291 PolarHBondContact O-N 2.97Å; L291-E293 VanDerWaalsContact C-N 3.35Å; L291-Q294 PolarHBondContact O-N 3.16Å; L291-E295 PolarHBondContact O-N 3.48Å; L291-I296 HydrophobicContact CD2-CD1 4.07Å; L291-L299 HydrophobicContact CD1-CD2 4.1Å; L291-L299 HydrophobicContact CD2-CD2 3.74Å; L291-L299 HydrophobicContact CG-CD2 4.39Å; L291-L316 HydrophobicContact CD1-CD1 3.83Å; L291-L316 HydrophobicContact CD1-CD2 4.06Å; L291-L316 HydrophobicContact CD1-CG 4.43Å; L291-L389 HydrophobicContact CD1-CD2 3.75Å; L291-L389 HydrophobicContact CD2-CD2 4.32Å
292	E	96.6	Very high	97.3	Very high	115 Å²	115	67.1 Å²	67.1	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-42.7	173.6	-70.1	172.1	162.8	0	0	111.1	K288 K289 F290 Q294 E295	K288-E292 WeakPolarHBondContact CE-OE1 3.45Å; K288-E292 HydrophobicContact CG-CG 4.48Å; K288-E292 IonicContact NZ-OE1 3.88Å; K288-E292 WeakPolarHBondContact O-CG 3.43Å; K288-E292 PolarHBondContact O-N 2.89Å; K289-E292 PolarHBondContact O-N 2.95Å; F290-E292 PolarHBondContact O-N 3.2Å; E292-Q294 PolarHBondContact O-N 2.82Å; E292-E295 WeakPolarHBondContact O-CG 3.41Å; E292-E295 PolarHBondContact O-N 3.21Å
293	E	96.4	Very high	97.3	Very high	118 Å²	118	62.3 Å²	62.3	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-69	-27.9	177.7	-72.2	171	-178.8	0	0	113.7	K289 F290 L291	K289-E293 WeakPolarHBondContact CE-OE1 3.42Å; K289-E293 IonicContact NZ-OE1 3.37Å; K289-E293 PolarHBondContact NZ-OE1 2.97Å; K289-E293 WeakPolarHBondContact O-CG 3.18Å; K289-E293 PolarHBondContact O-N 3.37Å; F290-E293 PolarHBondContact O-N 3.37Å; L291-E293 VanDerWaalsContact C-N 3.35Å
294	Q	94.8	Very high	97.3	Very high	75 Å²	75	62.3 Å²	62.3	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-82.1	-15.1	178.8	-67.1	-62.2	-75.1	0	0	113.5	F290 L291 E292 I296	F290-Q294 HydrophobicContact CD1-CG 4.3Å; F290-Q294 HydrophobicContact CD2-CG 4.16Å; F290-Q294 HydrophobicContact CE1-CG 3.82Å; F290-Q294 HydrophobicContact CE2-CG 3.65Å; F290-Q294 HydrophobicContact CG-CG 4.47Å; F290-Q294 HydrophobicContact CZ-CG 3.47Å; F290-Q294 VanDerWaalsContact CZ-CG 3.47Å; F290-Q294 VanDerWaalsContact O-CG 3.29Å; F290-Q294 WeakPolarHBondContact O-CG 3.01Å; F290-Q294 PolarHBondContact O-N 3.38Å; L291-Q294 PolarHBondContact O-N 3.16Å; E292-Q294 PolarHBondContact O-N 2.82Å; Q294-I296 HydrophobicContact CB-CD1 3.75Å; Q294-I296 HydrophobicContact CB-CG1 3.61Å; Q294-I296 HydrophobicContact CG-CD1 4.43Å; Q294-I296 PolarHBondContact O-N 2.9Å; Q294-I296 VanDerWaalsContact O-N 3.13Å
295	E	94.6	Very high	97.3	Very high	167 Å²	167	66.5 Å²	66.5	78%	0.78	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	43.2	179.1	-60.7	-172.6	154.2	0	0	113.8	L291 E292 Q297	L291-E295 PolarHBondContact O-N 3.48Å; E292-E295 WeakPolarHBondContact O-CG 3.41Å; E292-E295 PolarHBondContact O-N 3.21Å; E295-Q297 PolarHBondContact O-N 3.49Å
296	I	94.8	Very high	97.3	Very high	30 Å²	30	62.4 Å²	62.4	15%	0.154	30%	0.3	C	S	.	.			trans	-73.7	114.8	-172.5	-54.6	156.3	0	0	0	110	Y255 L291 Q294 L299 N387	Y255-I296 HydrophobicContact CD2-CD1 4.25Å; Y255-I296 HydrophobicContact CE1-CD1 4.29Å; Y255-I296 HydrophobicContact CE2-CD1 3.45Å; Y255-I296 VanDerWaalsContact CE2-CD1 3.45Å; Y255-I296 HydrophobicContact CE2-CG1 4.32Å; Y255-I296 VanDerWaalsContact CZ-CD1 3.46Å; Y255-I296 WeakPolarHBondContact OH-CD1 3.47Å; L291-I296 HydrophobicContact CD2-CD1 4.07Å; Q294-I296 HydrophobicContact CB-CD1 3.75Å; Q294-I296 HydrophobicContact CB-CG1 3.61Å; Q294-I296 HydrophobicContact CG-CD1 4.43Å; Q294-I296 PolarHBondContact O-N 2.9Å; Q294-I296 VanDerWaalsContact O-N 3.13Å; I296-L299 HydrophobicContact CB-CB 4.21Å; I296-L299 HydrophobicContact CD1-CD1 4.48Å; I296-L299 HydrophobicContact CD1-CD2 4.19Å; I296-L299 HydrophobicContact CG2-CB 4.01Å; I296-L299 HydrophobicContact CG2-CD1 4.16Å; I296-N387 HydrophobicContact CG2-CB 3.66Å
297	Q	94.3	Very high	97.3	Very high	156 Å²	156	66.2 Å²	66.2	73%	0.729	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	139.2	175.8	-63.2	-178.5	-3.8	0	0	111.6	E295 L299 N387	E295-Q297 PolarHBondContact O-N 3.49Å; Q297-L299 PolarHBondContact O-N 3.18Å; Q297-L299 VanDerWaalsContact O-N 3.13Å; Q297-N387 PolarHBondContact O-ND2 3.4Å
298	D	94.6	Very high	97.3	Very high	150 Å²	150	66.6 Å²	66.6	80%	0.802	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	35.5	176.3	-59	-37.9	0	0	0	114.5	K300	D298-K300 PolarHBondContact O-N 3.41Å
299	L	97.4	Very high	97.4	Very high	41 Å²	41	63.1 Å²	63.1	22%	0.215	30%	0.298	C	S	.	.			trans	-65	117	179.4	-179.5	66.5	0	0	0	111.1	Y255 L291 I296 Q297 V301 N387 L389	Y255-L299 HydrophobicContact CD2-CD1 4.43Å; L291-L299 HydrophobicContact CD1-CD2 4.1Å; L291-L299 HydrophobicContact CD2-CD2 3.74Å; L291-L299 HydrophobicContact CG-CD2 4.39Å; I296-L299 HydrophobicContact CB-CB 4.21Å; I296-L299 HydrophobicContact CD1-CD1 4.48Å; I296-L299 HydrophobicContact CD1-CD2 4.19Å; I296-L299 HydrophobicContact CG2-CB 4.01Å; I296-L299 HydrophobicContact CG2-CD1 4.16Å; Q297-L299 PolarHBondContact O-N 3.18Å; Q297-L299 VanDerWaalsContact O-N 3.13Å; L299-V301 HydrophobicContact CG-CG2 4.45Å; L299-N387 HydrophobicContact CD1-CB 4.39Å; L299-L389 HydrophobicContact CD1-CB 4.11Å; L299-L389 HydrophobicContact CD2-CB 4.5Å
300	K	98.4	Very high	97.4	Very high	79 Å²	79	58.3 Å²	58.3	34%	0.343	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	143.3	168.1	-64.3	-173.3	177.1	-174.6	0	110.6	D298 Q385 N387 I388 L389	D298-K300 PolarHBondContact O-N 3.41Å; K300-Q385 VanDerWaalsContact NZ-CD 3.31Å; K300-N387 PolarHBondContact N-O 2.79Å; K300-N387 VanDerWaalsContact N-O 3.08Å; K300-I388 HydrophobicContact CB-CD1 4.34Å; K300-I388 HydrophobicContact CB-CG1 4.21Å; K300-I388 CarbonylContact O-C 3.58Å; K300-I388 WeakPolarHBondContact O-CA 3.43Å; K300-L389 PolarHBondContact O-N 3.46Å
301	V	98.8	Very high	97.5	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.6	176.3	-176.5	0	0	0	0	109.9	L299 A313 L316 V318 Y320 E321 L389 I391	L299-V301 HydrophobicContact CG-CG2 4.45Å; V301-A313 HydrophobicContact CG1-CB 4.4Å; V301-L316 HydrophobicContact CG1-CD1 4.22Å; V301-L316 HydrophobicContact CG2-CD1 4.48Å; V301-V318 HydrophobicContact CB-CG2 4.47Å; V301-V318 HydrophobicContact CG2-CG2 3.69Å; V301-Y320 CarbonylContact O-C 3.6Å; V301-Y320 WeakPolarHBondContact O-CA 3.4Å; V301-Y320 WeakPolarHBondContact O-CB 3.41Å; V301-E321 PolarHBondContact O-N 3.28Å; V301-L389 CarbonylContact C-O 3.57Å; V301-L389 WeakPolarHBondContact CA-O 3.36Å; V301-L389 HydrophobicContact CG1-CD2 4.32Å; V301-L389 HydrophobicContact CG2-CB 4.38Å; V301-L389 HydrophobicContact CG2-CD2 4.36Å; V301-I391 HydrophobicContact CG1-CD1 4.07Å
302	W	98.9	Very high	97.5	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.1	174.6	-66.6	-11.4	0	0	0	111.7	E321 W323 L326 V378 E381 L382 Q385 I388 L389 V390 I391	W302-E321 WeakPolarHBondContact CA-O 3.44Å; W302-E321 PolarHBondContact NE1-OE2 2.9Å; W302-E321 VanDerWaalsContact NE1-OE2 3.16Å; W302-W323 AromaticContact CD1-NE1 3.65Å; W302-W323 HydrophobicContact CD2-CZ2 4.33Å; W302-W323 AromaticContact CD2-NE1 3.92Å; W302-W323 AromaticContact CE2-CE2 4Å; W302-W323 AromaticContact CE2-CZ2 3.87Å; W302-W323 AromaticContact CE2-NE1 3.96Å; W302-W323 AromaticContact CG-NE1 3.8Å; W302-W323 HydrophobicContact CH2-CZ2 4.41Å; W302-W323 HydrophobicContact CZ2-CH2 4.46Å; W302-W323 AromaticContact CZ2-CZ2 3.93Å; W302-W323 HydrophobicContact CZ2-CZ2 3.93Å; W302-W323 AromaticContact NE1-NE1 3.67Å; W302-L326 HydrophobicContact CB-CD1 4Å; W302-V378 HydrophobicContact CE3-CG1 4.24Å; W302-V378 HydrophobicContact CZ3-CG1 3.94Å; W302-E381 HydrophobicContact CH2-CB 3.49Å; W302-E381 VanDerWaalsContact CH2-CB 3.49Å; W302-E381 HydrophobicContact CH2-CG 3.18Å; W302-E381 HydrophobicContact CZ2-CB 4.17Å; W302-E381 HydrophobicContact CZ2-CG 3.35Å; W302-E381 HydrophobicContact CZ3-CB 4.22Å; W302-E381 HydrophobicContact CZ3-CG 4.28Å; W302-L382 HydrophobicContact CE3-CD2 4.23Å; W302-L382 HydrophobicContact CH2-CD2 4Å; W302-L382 HydrophobicContact CH2-CG 4.3Å; W302-L382 HydrophobicContact CZ3-CD2 3.53Å; W302-L382 HydrophobicContact CZ3-CG 3.77Å; W302-Q385 HydrophobicContact CH2-CG 4.4Å; W302-Q385 HydrophobicContact CZ2-CG 4.15Å; W302-I388 HydrophobicContact CD2-CD1 3.39Å; W302-I388 HydrophobicContact CD2-CG1 4.36Å; W302-I388 HydrophobicContact CE3-CD1 3.58Å; W302-I388 HydrophobicContact CG-CD1 4.07Å; W302-I388 HydrophobicContact CH2-CD1 3.29Å; W302-I388 HydrophobicContact CZ2-CD1 3.2Å; W302-I388 HydrophobicContact CZ3-CD1 3.54Å; W302-L389 PolarHBondContact N-O 3.38Å; W302-V390 HydrophobicContact CE3-CG2 4.12Å; W302-I391 PolarHBondContact O-N 3.01Å
303	T	98.9	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	166.2	174.5	71.7	0	0	0	0	110.8	A313 Y320 E321 W323 I391	T303-A313 HydrophobicContact CG2-CB 3.42Å; T303-A313 VanDerWaalsContact CG2-CB 3.42Å; T303-Y320 HydrophobicContact CG2-CD2 3.79Å; T303-Y320 HydrophobicContact CG2-CE2 4.46Å; T303-Y320 HydrophobicContact CG2-CG 4.32Å; T303-E321 PolarHBondContact N-O 2.98Å; T303-W323 PolarHBondContact O-N 3.39Å; T303-I391 WeakPolarHBondContact CA-O 3.47Å; T303-I391 HydrophobicContact CG2-CB 4.47Å
304	S	98.9	Very high	97.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.			trans	-73.2	-178.1	158.9	82.6	0	0	0	0	111.5	L306 T309 W323 L326 N327 H393	S304-L306 VanDerWaalsContact C-N 3.32Å; S304-L306 WeakPolarHBondContact OG-CB 3.4Å; S304-L306 PolarHBondContact OG-N 3.02Å; S304-T309 PolarHBondContact N-OG1 3.01Å; S304-T309 PolarHBondContact O-OG1 3.38Å; S304-T309 WeakPolarHBondContact OG-CG2 3.4Å; S304-T309 PolarHBondContact OG-OG1 3.17Å; S304-W323 WeakPolarHBondContact CA-O 3.49Å; S304-L326 VanDerWaalsContact CB-C 3.45Å; S304-L326 WeakPolarHBondContact CB-O 3.11Å; S304-N327 WeakPolarHBondContact CB-OD1 3.31Å; S304-H393 VanDerWaalsContact CB-NE2 3.3Å; S304-H393 WeakPolarHBondContact CB-NE2 3.45Å; S304-H393 PolarHBondContact OG-NE2 2.82Å
305	Q	98.8	Very high	97.9	Very high	88 Å²	88	51.1 Å²	51.1	41%	0.411	25%	0.247	S	C	.	.	S	Bend	trans	-88.3	1.7	169.4	-71.5	-176	-19.8	0	0	113.3	I310 Q322 K324 N327	Q305-I310 WeakPolarHBondContact O-CD1 3.37Å; Q305-Q322 HydrophobicContact CG-CB 4.18Å; Q305-K324 HydrophobicContact CG-CB 4.28Å; Q305-N327 PolarHBondContact N-OD1 2.7Å
306	L	98.8	Very high	98.1	Very high	28 Å²	28	43.6 Å²	43.6	15%	0.147	21%	0.212	C	C	.	.	S	Bend	trans	-85.8	139.2	179.8	-57.2	-178.8	0	0	0	111.2	D273 S304 R308 T309 I310 N327 E328	D273-L306 HydrophobicContact CB-CD2 4.41Å; D273-L306 VanDerWaalsContact OD1-CA 3.31Å; D273-L306 WeakPolarHBondContact OD1-CA 3.42Å; D273-L306 WeakPolarHBondContact OD1-CB 3.02Å; S304-L306 VanDerWaalsContact C-N 3.32Å; S304-L306 WeakPolarHBondContact OG-CB 3.4Å; S304-L306 PolarHBondContact OG-N 3.02Å; L306-R308 VanDerWaalsContact C-N 3.3Å; L306-R308 VanDerWaalsContact CD1-NH2 3.26Å; L306-R308 PolarHBondContact O-N 3Å; L306-R308 VanDerWaalsContact O-N 3.16Å; L306-T309 PolarHBondContact O-N 3.22Å; L306-T309 PolarHBondContact O-OG1 3.2Å; L306-I310 PolarHBondContact O-N 2.77Å; L306-N327 HydrophobicContact CD1-CB 4.3Å; L306-N327 HydrophobicContact CG-CB 4.37Å; L306-E328 HydrophobicContact CD1-CB 4.3Å
307	K	98.8	Very high	98.1	Very high	107 Å²	107	45.3 Å²	45.3	47%	0.465	24%	0.238	S	C	.	.	H	α-helix	trans	-50.3	-45.6	-169	-168.5	177.4	-161	173.7	0	113	D273 T309 I310 Q311	D273-K307 WeakPolarHBondContact OD1-CB 3.4Å; D273-K307 PolarHBondContact OD1-N 2.77Å; K307-T309 VanDerWaalsContact C-N 3.34Å; K307-T309 PolarHBondContact O-N 3.34Å; K307-I310 PolarHBondContact O-N 3.45Å; K307-Q311 HydrophobicContact CG-CG 4.13Å; K307-Q311 WeakPolarHBondContact O-CB 3.43Å; K307-Q311 VanDerWaalsContact O-CG 3.32Å; K307-Q311 WeakPolarHBondContact O-CG 3.42Å; K307-Q311 PolarHBondContact O-N 2.9Å
308	R	98.9	Very high	98.2	Very high	8 Å²	8	41.3 Å²	41.3	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-38	179.8	58.8	-168	-178.5	-94.8	3.2	114.2	H259 G272 L276 L306 T312 H393	H259-R308 HydrophobicContact CB-CB 3.94Å; H259-R308 HydrophobicContact CB-CG 3.9Å; H259-R308 WeakPolarHBondContact CB-O 3.49Å; H259-R308 VanDerWaalsContact CD2-CD 3.49Å; H259-R308 WeakPolarHBondContact CD2-CD 3.34Å; H259-R308 PolarHBondContact CD2-NE 3.05Å; H259-R308 WeakPolarHBondContact NE2-CD 3.44Å; H259-R308 PolarHBondContact NE2-NE 2.86Å; G272-R308 PolarHBondContact O-NH1 2.69Å; L276-R308 HydrophobicContact CD2-CB 4.06Å; L306-R308 VanDerWaalsContact C-N 3.3Å; L306-R308 VanDerWaalsContact CD1-NH2 3.26Å; L306-R308 PolarHBondContact O-N 3Å; L306-R308 VanDerWaalsContact O-N 3.16Å; R308-T312 PolarHBondContact O-N 3.38Å; R308-T312 PolarHBondContact O-OG1 2.79Å; R308-H393 PolarHBondContact NE-CE1 3.34Å; R308-H393 PolarHBondContact NE-ND1 3Å; R308-H393 PolarHBondContact NH2-CE1 3.36Å; R308-H393 PolarHBondContact NH2-ND1 3.15Å
309	T	98.9	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.3	-38.9	176.2	58.6	0	0	0	0	111.5	H259 S304 L306 K307 T312 A313 I391	H259-T309 HydrophobicContact CB-CG2 3.88Å; S304-T309 PolarHBondContact N-OG1 3.01Å; S304-T309 PolarHBondContact O-OG1 3.38Å; S304-T309 WeakPolarHBondContact OG-CG2 3.4Å; S304-T309 PolarHBondContact OG-OG1 3.17Å; L306-T309 PolarHBondContact O-N 3.22Å; L306-T309 PolarHBondContact O-OG1 3.2Å; K307-T309 VanDerWaalsContact C-N 3.34Å; K307-T309 PolarHBondContact O-N 3.34Å; T309-T312 WeakPolarHBondContact O-CB 3.21Å; T309-T312 PolarHBondContact O-N 3.16Å; T309-A313 PolarHBondContact O-N 3.17Å; T309-A313 VanDerWaalsContact O-N 3.09Å; T309-I391 HydrophobicContact CG2-CG2 4.29Å; T309-I391 WeakPolarHBondContact CG2-O 3.25Å
310	I	98.9	Very high	98.5	Very high	23 Å²	23	41.5 Å²	41.5	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-51.6	178.6	-66.5	168.2	0	0	0	109.9	Q305 L306 K307 T312 A313 E314 Y320 Q322	Q305-I310 WeakPolarHBondContact O-CD1 3.37Å; L306-I310 PolarHBondContact O-N 2.77Å; K307-I310 PolarHBondContact O-N 3.45Å; I310-T312 PolarHBondContact O-N 3.39Å; I310-A313 CarbonylContact O-C 3.53Å; I310-A313 PolarHBondContact O-N 3.06Å; I310-E314 HydrophobicContact CG2-CG 4.18Å; I310-E314 WeakPolarHBondContact O-CG 3.49Å; I310-E314 PolarHBondContact O-N 3.38Å; I310-Y320 HydrophobicContact CG2-CE2 4.3Å; I310-Y320 WeakPolarHBondContact CG2-OH 3.3Å; I310-Q322 HydrophobicContact CG1-CG 4.44Å
311	Q	98.9	Very high	98.5	Very high	45 Å²	45	42.1 Å²	42.1	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-31.7	177.4	-71.9	-178.8	-36.4	0	0	112.9	L276 K307 S315	L276-Q311 HydrophobicContact CD1-CB 3.63Å; L276-Q311 HydrophobicContact CG-CB 3.86Å; K307-Q311 HydrophobicContact CG-CG 4.13Å; K307-Q311 WeakPolarHBondContact O-CB 3.43Å; K307-Q311 VanDerWaalsContact O-CG 3.32Å; K307-Q311 WeakPolarHBondContact O-CG 3.42Å; K307-Q311 PolarHBondContact O-N 2.9Å; Q311-S315 PolarHBondContact O-OG 3.25Å
312	T	98.9	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.9	-43.2	174.7	-54.9	0	0	0	0	110.5	G260 F283 A284 L287 R308 T309 I310 I391	G260-T312 PolarHBondContact N-OG1 3.18Å; F283-T312 HydrophobicContact CD1-CG2 4.24Å; F283-T312 HydrophobicContact CE1-CG2 3.97Å; A284-T312 HydrophobicContact CB-CG2 4.09Å; L287-T312 HydrophobicContact CD2-CG2 4.02Å; R308-T312 PolarHBondContact O-N 3.38Å; R308-T312 PolarHBondContact O-OG1 2.79Å; T309-T312 WeakPolarHBondContact O-CB 3.21Å; T309-T312 PolarHBondContact O-N 3.16Å; I310-T312 PolarHBondContact O-N 3.39Å; T312-I391 HydrophobicContact CG2-CD1 4.15Å; T312-I391 HydrophobicContact CG2-CG2 4.01Å
313	A	98.8	Very high	98.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-72.5	-36.4	179	0	0	0	0	0	113.5	V301 T303 T309 I310 S315 L316 Y320 I391	V301-A313 HydrophobicContact CG1-CB 4.4Å; T303-A313 HydrophobicContact CG2-CB 3.42Å; T303-A313 VanDerWaalsContact CG2-CB 3.42Å; T309-A313 PolarHBondContact O-N 3.17Å; T309-A313 VanDerWaalsContact O-N 3.09Å; I310-A313 CarbonylContact O-C 3.53Å; I310-A313 PolarHBondContact O-N 3.06Å; A313-S315 PolarHBondContact O-N 3.28Å; A313-L316 VanDerWaalsContact O-CB 3.26Å; A313-L316 WeakPolarHBondContact O-CB 3.47Å; A313-L316 WeakPolarHBondContact O-CG 3.09Å; A313-L316 PolarHBondContact O-N 3.29Å; A313-Y320 HydrophobicContact CB-CD1 3.81Å; A313-Y320 HydrophobicContact CB-CD2 4.1Å; A313-Y320 HydrophobicContact CB-CE1 4.22Å; A313-Y320 HydrophobicContact CB-CE2 4.47Å; A313-Y320 HydrophobicContact CB-CG 3.76Å; A313-I391 HydrophobicContact CB-CD1 4Å
314	E	98.6	Very high	98.5	Very high	114 Å²	114	55.5 Å²	55.5	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-55.5	-39.1	176.6	-76.4	174.7	163.3	0	0	111.7	I310 L316 G317 Y320	I310-E314 HydrophobicContact CG2-CG 4.18Å; I310-E314 WeakPolarHBondContact O-CG 3.49Å; I310-E314 PolarHBondContact O-N 3.38Å; E314-L316 PolarHBondContact O-N 2.91Å; E314-G317 PolarHBondContact O-N 3.06Å; E314-Y320 HydrophobicContact CG-CE1 4.16Å; E314-Y320 WeakPolarHBondContact CG-OH 3.27Å
315	S	98.3	Very high	98.4	Very high	32 Å²	32	57.9 Å²	57.9	22%	0.224	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.2	177.5	-64.9	0	0	0	0	114.2	K288 Q311 A313	K288-S315 WeakPolarHBondContact CD-O 3.46Å; Q311-S315 PolarHBondContact O-OG 3.25Å; A313-S315 PolarHBondContact O-N 3.28Å
316	L	98	Very high	98.4	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.047	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.3	-178.8	-53.7	-178	0	0	0	112.5	L287 K288 L291 V301 A313 E314 V318 L389 I391	L287-L316 HydrophobicContact CB-CD2 4.12Å; L287-L316 HydrophobicContact CD2-CD2 4.04Å; L287-L316 HydrophobicContact CG-CD2 3.81Å; K288-L316 HydrophobicContact CB-CD2 3.99Å; L291-L316 HydrophobicContact CD1-CD1 3.83Å; L291-L316 HydrophobicContact CD1-CD2 4.06Å; L291-L316 HydrophobicContact CD1-CG 4.43Å; V301-L316 HydrophobicContact CG1-CD1 4.22Å; V301-L316 HydrophobicContact CG2-CD1 4.48Å; A313-L316 VanDerWaalsContact O-CB 3.26Å; A313-L316 WeakPolarHBondContact O-CB 3.47Å; A313-L316 WeakPolarHBondContact O-CG 3.09Å; A313-L316 PolarHBondContact O-N 3.29Å; E314-L316 PolarHBondContact O-N 2.91Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CB-CG2 3.93Å; L316-V318 HydrophobicContact CD1-CG2 4.43Å; L316-V318 PolarHBondContact O-N 3.48Å; L316-L389 HydrophobicContact CD1-CD2 4.07Å; L316-I391 HydrophobicContact CD1-CD1 4.02Å
317	G	96.1	Very high	98.4	Very high	67 Å²	67	53.8 Å²	53.8	69%	0.691	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	20.4	-176.9	0	0	0	0	0	114.5	E314	E314-G317 PolarHBondContact O-N 3.06Å
318	V	96.6	Very high	98.4	Very high	71 Å²	71	50.3 Å²	50.3	43%	0.43	27%	0.266	S	S	.	.	S	Bend	trans	-117.9	161.3	176.8	-57.9	0	0	0	0	110.9	V301 L316	V301-V318 HydrophobicContact CB-CG2 4.47Å; V301-V318 HydrophobicContact CG2-CG2 3.69Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CB-CG2 3.93Å; L316-V318 HydrophobicContact CD1-CG2 4.43Å; L316-V318 PolarHBondContact O-N 3.48Å
319	T	98.1	Very high	98.4	Very high	133 Å²	133	50.7 Å²	50.7	82%	0.816	27%	0.269	S	S	*	.			trans	-67.8	136.2	172.7	53.8	0	0	0	0	110.6
320	Y	98.6	Very high	98.4	Very high	63 Å²	63	54.2 Å²	54.2	25%	0.247	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.5	176.8	63.1	-89.4	0	0	0	111.1	V301 T303 I310 A313 E314 Q322	V301-Y320 CarbonylContact O-C 3.6Å; V301-Y320 WeakPolarHBondContact O-CA 3.4Å; V301-Y320 WeakPolarHBondContact O-CB 3.41Å; T303-Y320 HydrophobicContact CG2-CD2 3.79Å; T303-Y320 HydrophobicContact CG2-CE2 4.46Å; T303-Y320 HydrophobicContact CG2-CG 4.32Å; I310-Y320 HydrophobicContact CG2-CE2 4.3Å; I310-Y320 WeakPolarHBondContact CG2-OH 3.3Å; A313-Y320 HydrophobicContact CB-CD1 3.81Å; A313-Y320 HydrophobicContact CB-CD2 4.1Å; A313-Y320 HydrophobicContact CB-CE1 4.22Å; A313-Y320 HydrophobicContact CB-CE2 4.47Å; A313-Y320 HydrophobicContact CB-CG 3.76Å; E314-Y320 HydrophobicContact CG-CE1 4.16Å; E314-Y320 WeakPolarHBondContact CG-OH 3.27Å; Y320-Q322 HydrophobicContact CD2-CG 4.15Å; Y320-Q322 HydrophobicContact CE2-CG 3.86Å
321	E	98.7	Very high	98.4	Very high	92 Å²	92	53.2 Å²	53.2	43%	0.43	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.1	178.7	-60.9	171.2	-161.9	0	0	110.5	V301 W302 T303 W323	V301-E321 PolarHBondContact O-N 3.28Å; W302-E321 WeakPolarHBondContact CA-O 3.44Å; W302-E321 PolarHBondContact NE1-OE2 2.9Å; W302-E321 VanDerWaalsContact NE1-OE2 3.16Å; T303-E321 PolarHBondContact N-O 2.98Å; E321-W323 PolarHBondContact OE2-NE1 2.79Å
322	Q	98.8	Very high	98.3	Very high	90 Å²	90	52 Å²	52	42%	0.421	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.3	179.8	-55.7	-175.9	20.1	0	0	111	Q305 I310 Y320	Q305-Q322 HydrophobicContact CG-CB 4.18Å; I310-Q322 HydrophobicContact CG1-CG 4.44Å; Y320-Q322 HydrophobicContact CD2-CG 4.15Å; Y320-Q322 HydrophobicContact CE2-CG 3.86Å
323	W	98.8	Very high	98.3	Very high	53 Å²	53	55.3 Å²	55.3	20%	0.201	30%	0.302	C	S	.	.			trans	-114.7	113.5	-178	-68.9	59	0	0	0	109.6	W302 T303 S304 E321 I325 L326 V378 E381	W302-W323 AromaticContact CD1-NE1 3.65Å; W302-W323 HydrophobicContact CD2-CZ2 4.33Å; W302-W323 AromaticContact CD2-NE1 3.92Å; W302-W323 AromaticContact CE2-CE2 4Å; W302-W323 AromaticContact CE2-CZ2 3.87Å; W302-W323 AromaticContact CE2-NE1 3.96Å; W302-W323 AromaticContact CG-NE1 3.8Å; W302-W323 HydrophobicContact CH2-CZ2 4.41Å; W302-W323 HydrophobicContact CZ2-CH2 4.46Å; W302-W323 AromaticContact CZ2-CZ2 3.93Å; W302-W323 HydrophobicContact CZ2-CZ2 3.93Å; W302-W323 AromaticContact NE1-NE1 3.67Å; T303-W323 PolarHBondContact O-N 3.39Å; S304-W323 WeakPolarHBondContact CA-O 3.49Å; E321-W323 PolarHBondContact OE2-NE1 2.79Å; W323-I325 HydrophobicContact CB-CG1 4.38Å; W323-I325 HydrophobicContact CE3-CD1 3.86Å; W323-I325 HydrophobicContact CE3-CG1 4Å; W323-I325 HydrophobicContact CZ3-CD1 4.23Å; W323-I325 PolarHBondContact O-N 3.17Å; W323-L326 HydrophobicContact CB-CB 4.2Å; W323-L326 HydrophobicContact CB-CD1 3.91Å; W323-L326 HydrophobicContact CB-CG 3.96Å; W323-L326 HydrophobicContact CG-CD1 4.36Å; W323-L326 WeakPolarHBondContact O-CB 3.46Å; W323-L326 PolarHBondContact O-N 3.1Å; W323-V378 HydrophobicContact CE3-CG2 4.21Å; W323-E381 HydrophobicContact CH2-CB 4Å; W323-E381 HydrophobicContact CH2-CG 3.78Å; W323-E381 HydrophobicContact CZ2-CG 4.21Å
324	K	98.6	Very high	98.2	Very high	143 Å²	143	55.4 Å²	55.4	62%	0.622	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-56.6	-36	176.9	-172.2	174.6	177.2	-177.1	0	112.3	Q305 L326 N327	Q305-K324 HydrophobicContact CG-CB 4.28Å; K324-L326 PolarHBondContact O-N 3.48Å; K324-N327 VanDerWaalsContact O-CB 3.26Å; K324-N327 WeakPolarHBondContact O-CB 3.22Å; K324-N327 PolarHBondContact O-N 3.28Å; K324-N327 PolarHBondContact O-OD1 3.21Å
325	I	98.4	Very high	98.2	Very high	50 Å²	50	52.7 Å²	52.7	26%	0.256	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-70.9	-5.9	179	63.2	175.3	0	0	0	113.5	W323 R374 L375 P377 V378	W323-I325 HydrophobicContact CB-CG1 4.38Å; W323-I325 HydrophobicContact CE3-CD1 3.86Å; W323-I325 HydrophobicContact CE3-CG1 4Å; W323-I325 HydrophobicContact CZ3-CD1 4.23Å; W323-I325 PolarHBondContact O-N 3.17Å; I325-R374 VanDerWaalsContact C-NH1 3.3Å; I325-R374 HydrophobicContact CB-CG 3.84Å; I325-R374 HydrophobicContact CG2-CG 3.99Å; I325-R374 PolarHBondContact O-NH1 3.38Å; I325-L375 WeakPolarHBondContact O-CD2 3.46Å; I325-P377 HydrophobicContact CD1-CB 3.93Å; I325-P377 HydrophobicContact CD1-CG 4.23Å; I325-V378 HydrophobicContact CD1-CG2 3.48Å; I325-V378 VanDerWaalsContact CD1-CG2 3.48Å; I325-V378 HydrophobicContact CG1-CG2 3.66Å
326	L	98.9	Very high	98.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-92	1.4	167.7	-75.5	178.4	0	0	0	113.2	W302 S304 W323 K324 L375 V378 V390 H393 V396 L400	W302-L326 HydrophobicContact CB-CD1 4Å; S304-L326 VanDerWaalsContact CB-C 3.45Å; S304-L326 WeakPolarHBondContact CB-O 3.11Å; W323-L326 HydrophobicContact CB-CB 4.2Å; W323-L326 HydrophobicContact CB-CD1 3.91Å; W323-L326 HydrophobicContact CB-CG 3.96Å; W323-L326 HydrophobicContact CG-CD1 4.36Å; W323-L326 WeakPolarHBondContact O-CB 3.46Å; W323-L326 PolarHBondContact O-N 3.1Å; K324-L326 PolarHBondContact O-N 3.48Å; L326-L375 HydrophobicContact CD2-CD2 3.93Å; L326-V378 HydrophobicContact CD2-CG1 3.99Å; L326-V378 HydrophobicContact CD2-CG2 4.08Å; L326-V378 HydrophobicContact CG-CG2 4.25Å; L326-V390 HydrophobicContact CD1-CG1 3.78Å; L326-V390 HydrophobicContact CD2-CG1 4.04Å; L326-H393 PolarHBondContact O-CD2 2.96Å; L326-V396 HydrophobicContact CD2-CG1 3.79Å; L326-L400 HydrophobicContact CD2-CD1 4.41Å
327	N	98.9	Very high	98.2	Very high	30 Å²	30	57 Å²	57	16%	0.16	31%	0.307	C	S	.	.	S	Bend	trans	-59.1	150.2	173.8	-73.5	7.2	0	0	0	110.9	S304 Q305 L306 K324 R374 V396	S304-N327 WeakPolarHBondContact CB-OD1 3.31Å; Q305-N327 PolarHBondContact N-OD1 2.7Å; L306-N327 HydrophobicContact CD1-CB 4.3Å; L306-N327 HydrophobicContact CG-CB 4.37Å; K324-N327 VanDerWaalsContact O-CB 3.26Å; K324-N327 WeakPolarHBondContact O-CB 3.22Å; K324-N327 PolarHBondContact O-N 3.28Å; K324-N327 PolarHBondContact O-OD1 3.21Å; N327-R374 PolarHBondContact O-NH1 3.47Å; N327-R374 PolarHBondContact O-NH2 2.85Å; N327-V396 WeakPolarHBondContact O-CG2 3.46Å
328	E	98.8	Very high	98.3	Very high	33 Å²	33	55.2 Å²	55.2	15%	0.154	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-56.5	160.2	177.6	-172.3	54.6	-56.7	0	0	111.4	L306 D330 R374 H393 Q394 A395 V396	L306-E328 HydrophobicContact CD1-CB 4.3Å; E328-D330 PolarHBondContact O-N 3.16Å; E328-R374 PolarHBondContact O-NH2 3.33Å; E328-H393 HydrophobicContact CB-CB 3.73Å; E328-H393 HydrophobicContact CG-CB 3.88Å; E328-H393 PolarHBondContact N-CD2 3.43Å; E328-H393 VanDerWaalsContact N-CD2 3.32Å; E328-H393 WeakPolarHBondContact OE1-CB 3.35Å; E328-H393 WeakPolarHBondContact OE2-CB 3.25Å; E328-Q394 PolarHBondContact OE2-N 3.26Å; E328-A395 WeakPolarHBondContact OE1-CB 3.2Å; E328-A395 PolarHBondContact OE1-N 3.27Å; E328-A395 VanDerWaalsContact OE1-N 3.11Å; E328-A395 PolarHBondContact OE2-N 3.07Å; E328-A395 VanDerWaalsContact OE2-N 3.16Å; E328-V396 PolarHBondContact OE1-N 3.03Å
329	I	98.6	Very high	98.3	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.087	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-52.9	129.6	171.7	-166.4	170.1	0	0	0	110.6	A331 E366 Y368 L371 A395	I329-A331 PolarHBondContact O-N 3.03Å; I329-E366 HydrophobicContact CD1-CB 4.49Å; I329-E366 HydrophobicContact CG1-CB 3.79Å; I329-Y368 HydrophobicContact CD1-CD2 4.28Å; I329-Y368 HydrophobicContact CD1-CE2 4.44Å; I329-L371 HydrophobicContact CB-CD2 4.24Å; I329-A395 HydrophobicContact CB-CB 3.83Å; I329-A395 HydrophobicContact CG2-CB 3.59Å
330	D	98.6	Very high	98.3	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	25%	0.254	S	S	.	.			trans	-75	115.1	176.9	-168.8	-26.1	0	0	0	110	E328 G332 G365 E366	E328-D330 PolarHBondContact O-N 3.16Å; D330-G332 VanDerWaalsContact C-N 3.26Å; D330-G332 PolarHBondContact O-N 3.35Å; D330-G332 WeakPolarHBondContact OD1-CA 3.36Å; D330-G332 PolarHBondContact OD1-N 2.82Å; D330-G365 CarbonylContact O-C 3.55Å; D330-G365 WeakPolarHBondContact O-CA 3.17Å; D330-E366 HydrophobicContact CB-CB 4.39Å; D330-E366 HydrophobicContact CB-CG 3.98Å; D330-E366 PolarHBondContact N-OE2 3.12Å; D330-E366 PolarHBondContact O-N 3.02Å
331	A	97.9	Very high	98.3	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	26%	0.26	C	S	.	.			trans	-84.2	3.5	178.2	0	0	0	0	0	113.3	I270 I329 V333 C334 E335 Y362	I270-A331 HydrophobicContact CD1-CB 3.68Å; I270-A331 HydrophobicContact CG1-CB 4.26Å; I329-A331 PolarHBondContact O-N 3.03Å; A331-V333 PolarHBondContact O-N 2.98Å; A331-C334 HydrophobicContact CB-CB 4.16Å; A331-C334 WeakPolarHBondContact O-CB 3.4Å; A331-C334 PolarHBondContact O-N 2.76Å; A331-E335 HydrophobicContact CB-CG 4.21Å; A331-E335 VanDerWaalsContact CB-OE1 3.32Å; A331-E335 WeakPolarHBondContact CB-OE1 3.46Å; A331-E335 PolarHBondContact N-OE1 3.18Å; A331-Y362 HydrophobicContact CB-CD1 4.36Å; A331-Y362 HydrophobicContact CB-CD2 4.32Å; A331-Y362 HydrophobicContact CB-CE1 4.37Å; A331-Y362 HydrophobicContact CB-CE2 4.31Å; A331-Y362 HydrophobicContact CB-CG 4.33Å; A331-Y362 WeakPolarHBondContact O-CB 3.35Å; A331-Y362 WeakPolarHBondContact O-CD1 3.45Å
332	G	97.9	Very high	98.2	Very high	19 Å²	19	47.7 Å²	47.7	20%	0.196	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	55.8	-122.9	177.1	0	0	0	0	0	112.3	D330 C334 E335 P363	D330-G332 VanDerWaalsContact C-N 3.26Å; D330-G332 PolarHBondContact O-N 3.35Å; D330-G332 WeakPolarHBondContact OD1-CA 3.36Å; D330-G332 PolarHBondContact OD1-N 2.82Å; G332-C334 PolarHBondContact O-N 3.21Å; G332-C334 VanDerWaalsContact O-N 3.1Å; G332-E335 WeakPolarHBondContact O-CB 3.48Å; G332-E335 VanDerWaalsContact O-CG 3.31Å; G332-E335 WeakPolarHBondContact O-CG 3.42Å; G332-E335 PolarHBondContact O-N 3.13Å; G332-E335 VanDerWaalsContact O-N 3.17Å; G332-P363 WeakPolarHBondContact CA-O 3.39Å
333	V	97.7	Very high	98.1	Very high	71 Å²	71	48.1 Å²	48.1	43%	0.43	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-64.3	-12.7	177.9	-58.2	0	0	0	0	114.3	A331 Y346 P363	A331-V333 PolarHBondContact O-N 2.98Å; V333-Y346 HydrophobicContact CG2-CE2 4.4Å; V333-P363 HydrophobicContact CG2-CB 3.89Å; V333-P363 HydrophobicContact CG2-CG 4.2Å; V333-P363 PolarHBondContact N-O 3.15Å
334	C	98.1	Very high	98.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-97	4.6	178.9	-61.4	0	0	0	0	113.5	I270 A331 G332 M337 I342 Y362	I270-C334 HydrophobicContact CD1-CB 4.42Å; I270-C334 WeakPolarHBondContact CG1-O 3.42Å; A331-C334 HydrophobicContact CB-CB 4.16Å; A331-C334 WeakPolarHBondContact O-CB 3.4Å; A331-C334 PolarHBondContact O-N 2.76Å; G332-C334 PolarHBondContact O-N 3.21Å; G332-C334 VanDerWaalsContact O-N 3.1Å; C334-M337 PolarHBondContact O-N 3.01Å; C334-I342 HydrophobicContact CB-CD1 3.83Å; C334-I342 HydrophobicContact CB-CG1 4.05Å; C334-Y362 HydrophobicContact CB-CD1 3.9Å; C334-Y362 HydrophobicContact CB-CE1 3.84Å
335	E	98	Very high	98.1	Very high	57 Å²	57	53.8 Å²	53.8	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	142.9	172.9	-76.6	-72.8	127.3	0	0	111.5	G271 G272 A331 G332 M337	G271-E335 WeakPolarHBondContact CA-OE2 3.31Å; G272-E335 PolarHBondContact N-OE2 3.29Å; A331-E335 HydrophobicContact CB-CG 4.21Å; A331-E335 VanDerWaalsContact CB-OE1 3.32Å; A331-E335 WeakPolarHBondContact CB-OE1 3.46Å; A331-E335 PolarHBondContact N-OE1 3.18Å; G332-E335 WeakPolarHBondContact O-CB 3.48Å; G332-E335 VanDerWaalsContact O-CG 3.31Å; G332-E335 WeakPolarHBondContact O-CG 3.42Å; G332-E335 PolarHBondContact O-N 3.13Å; G332-E335 VanDerWaalsContact O-N 3.17Å; E335-M337 PolarHBondContact O-N 3.07Å; E335-M337 VanDerWaalsContact O-N 3.15Å
336	E	98.2	Very high	98	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.5	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	11.2	178.1	-38.3	-167.1	167.4	0	0	116.1	F264 K269 I270	F264-E336 HydrophobicContact CE2-CB 3.85Å; F264-E336 HydrophobicContact CE2-CG 3.84Å; F264-E336 HydrophobicContact CZ-CB 4.2Å; F264-E336 HydrophobicContact CZ-CG 4.29Å; K269-E336 WeakPolarHBondContact CD-O 3.48Å; K269-E336 PolarHBondContact NZ-O 2.86Å; I270-E336 VanDerWaalsContact O-CA 3.31Å; I270-E336 WeakPolarHBondContact O-CA 3.4Å; I270-E336 PolarHBondContact O-N 2.86Å
337	M	98.4	Very high	97.9	Very high	24 Å²	24	57.9 Å²	57.9	12%	0.118	29%	0.289	C	S	.	.			trans	-96.2	154.2	174.9	-61.6	-173.8	176.4	0	0	112.2	K269 I270 C334 E335 E341 I342 R345 Y346	K269-M337 CarbonylContact C-O 3.58Å; K269-M337 WeakPolarHBondContact CA-O 3.47Å; I270-M337 WeakPolarHBondContact CG1-O 3.3Å; I270-M337 PolarHBondContact N-O 2.8Å; C334-M337 PolarHBondContact O-N 3.01Å; E335-M337 PolarHBondContact O-N 3.07Å; E335-M337 VanDerWaalsContact O-N 3.15Å; M337-E341 WeakPolarHBondContact CA-OE2 3.45Å; M337-E341 HydrophobicContact CB-CB 4.3Å; M337-I342 HydrophobicContact CB-CD1 4.18Å; M337-I342 HydrophobicContact CB-CG1 3.76Å; M337-I342 HydrophobicContact SD-CG1 4.07Å; M337-R345 VanDerWaalsContact CE-NH1 3.33Å; M337-Y346 HydrophobicContact CE-CE2 4.15Å; M337-Y346 HydrophobicContact SD-CE2 4.17Å
338	T	98.4	Very high	97.7	Very high	30 Å²	30	63.6 Å²	63.6	18%	0.184	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-79.1	159.1	163.1	67.3	0	0	0	0	110.6	L267 G268 K269 S340 E341 I342	L267-T338 WeakPolarHBondContact O-CG2 3.22Å; G268-T338 WeakPolarHBondContact O-CA 3.31Å; K269-T338 HydrophobicContact CG-CG2 3.9Å; T338-S340 PolarHBondContact O-N 3.2Å; T338-E341 PolarHBondContact N-OE2 2.76Å; T338-E341 PolarHBondContact O-N 2.75Å; T338-E341 VanDerWaalsContact OG1-CG 3.27Å; T338-E341 WeakPolarHBondContact OG1-CG 3.41Å; T338-E341 PolarHBondContact OG1-N 3Å; T338-E341 VanDerWaalsContact OG1-N 3.15Å; T338-E341 PolarHBondContact OG1-OE2 3.16Å; T338-E341 VanDerWaalsContact OG1-OE2 3.08Å; T338-I342 WeakPolarHBondContact O-CG1 3.46Å; T338-I342 PolarHBondContact O-N 2.81Å
339	Y	96.7	Very high	97.5	Very high	56 Å²	56	63.1 Å²	63.1	22%	0.22	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-32.8	174.5	-76.2	-66.2	0	0	0	113	I270 I342 E343 F350	I270-Y339 HydrophobicContact CG2-CD2 4.36Å; I270-Y339 HydrophobicContact CG2-CE1 4.3Å; I270-Y339 HydrophobicContact CG2-CE2 3.8Å; Y339-I342 HydrophobicContact CD1-CD1 4.41Å; Y339-I342 PolarHBondContact O-N 3.02Å; Y339-E343 WeakPolarHBondContact O-CB 3.31Å; Y339-E343 PolarHBondContact O-N 3.26Å; Y339-F350 HydrophobicContact CD1-CE2 4.17Å
340	S	97.3	Very high	97.4	Very high	62 Å²	62	63.3 Å²	63.3	43%	0.434	31%	0.313	S	S	.	.	H	α-helix	trans	-68.4	-40.7	176.8	-172.9	0	0	0	0	112	T338 I342 E343 Q344	T338-S340 PolarHBondContact O-N 3.2Å; S340-I342 VanDerWaalsContact C-N 3.32Å; S340-I342 PolarHBondContact O-N 2.66Å; S340-E343 PolarHBondContact O-N 2.82Å; S340-Q344 VanDerWaalsContact O-CG 3.3Å; S340-Q344 WeakPolarHBondContact O-CG 3.48Å; S340-Q344 PolarHBondContact O-N 2.95Å; S340-Q344 PolarHBondContact OG-NE2 2.77Å
341	E	98.1	Very high	97.2	Very high	80 Å²	80	61.8 Å²	61.8	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-38.8	173.7	-72.5	165.9	145.3	0	0	111.5	M337 T338 Q344 R345	M337-E341 WeakPolarHBondContact CA-OE2 3.45Å; M337-E341 HydrophobicContact CB-CB 4.3Å; T338-E341 PolarHBondContact N-OE2 2.76Å; T338-E341 PolarHBondContact O-N 2.75Å; T338-E341 VanDerWaalsContact OG1-CG 3.27Å; T338-E341 WeakPolarHBondContact OG1-CG 3.41Å; T338-E341 PolarHBondContact OG1-N 3Å; T338-E341 VanDerWaalsContact OG1-N 3.15Å; T338-E341 PolarHBondContact OG1-OE2 3.16Å; T338-E341 VanDerWaalsContact OG1-OE2 3.08Å; E341-Q344 PolarHBondContact O-N 3.1Å; E341-R345 WeakPolarHBondContact O-CB 3.38Å; E341-R345 PolarHBondContact O-N 2.95Å
342	I	97.9	Very high	97	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-45.1	175.9	-63.2	165.9	0	0	0	110.7	I270 C334 M337 T338 Y339 S340 Q344 R345 Y346 F350	I270-I342 HydrophobicContact CD1-CD1 3.55Å; I270-I342 HydrophobicContact CG1-CD1 4.28Å; C334-I342 HydrophobicContact CB-CD1 3.83Å; C334-I342 HydrophobicContact CB-CG1 4.05Å; M337-I342 HydrophobicContact CB-CD1 4.18Å; M337-I342 HydrophobicContact CB-CG1 3.76Å; M337-I342 HydrophobicContact SD-CG1 4.07Å; T338-I342 WeakPolarHBondContact O-CG1 3.46Å; T338-I342 PolarHBondContact O-N 2.81Å; Y339-I342 HydrophobicContact CD1-CD1 4.41Å; Y339-I342 PolarHBondContact O-N 3.02Å; S340-I342 VanDerWaalsContact C-N 3.32Å; S340-I342 PolarHBondContact O-N 2.66Å; I342-Q344 VanDerWaalsContact C-N 3.31Å; I342-Q344 PolarHBondContact O-N 2.84Å; I342-R345 PolarHBondContact O-N 2.98Å; I342-Y346 CarbonylContact O-C 3.24Å; I342-Y346 VanDerWaalsContact O-C 3.29Å; I342-Y346 VanDerWaalsContact O-CA 3.31Å; I342-Y346 WeakPolarHBondContact O-CA 3.17Å; I342-Y346 PolarHBondContact O-N 2.9Å; I342-F350 HydrophobicContact CB-CD2 4.43Å; I342-F350 HydrophobicContact CG2-CB 4.42Å; I342-F350 HydrophobicContact CG2-CD2 4.07Å
343	E	96.8	Very high	96.9	Very high	100 Å²	100	65.4 Å²	65.4	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-40.6	177.9	-175.5	173.2	-147.9	0	0	111.9	Y339 S340 P347 F350	Y339-E343 WeakPolarHBondContact O-CB 3.31Å; Y339-E343 PolarHBondContact O-N 3.26Å; S340-E343 PolarHBondContact O-N 2.82Å; E343-P347 VanDerWaalsContact O-CA 3.25Å; E343-P347 WeakPolarHBondContact O-CA 3.46Å; E343-P347 WeakPolarHBondContact O-CB 3.08Å; E343-F350 HydrophobicContact CB-CD1 4.08Å; E343-F350 HydrophobicContact CB-CD2 3.92Å; E343-F350 HydrophobicContact CB-CE1 4.18Å; E343-F350 HydrophobicContact CB-CE2 4.03Å; E343-F350 HydrophobicContact CB-CG 3.93Å; E343-F350 HydrophobicContact CB-CZ 4.15Å; E343-F350 HydrophobicContact CG-CD1 3.89Å; E343-F350 HydrophobicContact CG-CE1 3.98Å; E343-F350 HydrophobicContact CG-CG 4.21Å; E343-F350 HydrophobicContact CG-CZ 4.38Å
344	Q	97.8	Very high	96.7	Very high	151 Å²	151	63.2 Å²	63.2	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-72.1	-41.8	178.1	-69.7	173.3	14.5	0	0	112.9	S340 E341 I342	S340-Q344 VanDerWaalsContact O-CG 3.3Å; S340-Q344 WeakPolarHBondContact O-CG 3.48Å; S340-Q344 PolarHBondContact O-N 2.95Å; S340-Q344 PolarHBondContact OG-NE2 2.77Å; E341-Q344 PolarHBondContact O-N 3.1Å; I342-Q344 VanDerWaalsContact C-N 3.31Å; I342-Q344 PolarHBondContact O-N 2.84Å
345	R	97.7	Very high	96.4	Very high	163 Å²	163	67.1 Å²	67.1	62%	0.615	33%	0.327	S	S	*	.	H	α-helix	trans	-86.8	-32.1	-173.5	-171.3	173.8	177.2	169.3	-0.7	113.5	M337 E341 I342	M337-R345 VanDerWaalsContact CE-NH1 3.33Å; E341-R345 WeakPolarHBondContact O-CB 3.38Å; E341-R345 PolarHBondContact O-N 2.95Å; I342-R345 PolarHBondContact O-N 2.98Å
346	Y	97.1	Very high	96.2	Very high	59 Å²	59	68 Å²	68	23%	0.231	33%	0.331	C	S	.	.			trans	-135.3	60.3	-176.4	-54.7	-70.8	0	0	0	111.1	V333 M337 I342 E348 E349 F350	V333-Y346 HydrophobicContact CG2-CE2 4.4Å; M337-Y346 HydrophobicContact CE-CE2 4.15Å; M337-Y346 HydrophobicContact SD-CE2 4.17Å; I342-Y346 CarbonylContact O-C 3.24Å; I342-Y346 VanDerWaalsContact O-C 3.29Å; I342-Y346 VanDerWaalsContact O-CA 3.31Å; I342-Y346 WeakPolarHBondContact O-CA 3.17Å; I342-Y346 PolarHBondContact O-N 2.9Å; Y346-E348 VanDerWaalsContact C-N 3.31Å; Y346-E348 PolarHBondContact O-N 3.11Å; Y346-E349 PolarHBondContact O-N 2.8Å; Y346-F350 PolarHBondContact O-N 3.19Å
347	P	96.7	Very high	96.2	Very high	77 Å²	77	63.3 Å²	63.3	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-59.6	-38.2	-173.4	22	-33.6	0	0	0	113.3	E343 F350 A351	E343-P347 VanDerWaalsContact O-CA 3.25Å; E343-P347 WeakPolarHBondContact O-CA 3.46Å; E343-P347 WeakPolarHBondContact O-CB 3.08Å; P347-F350 PolarHBondContact O-N 3.32Å; P347-A351 WeakPolarHBondContact O-CB 3.31Å; P347-A351 PolarHBondContact O-N 2.93Å
348	E	94.8	Very high	96.1	Very high	151 Å²	151	63.4 Å²	63.4	71%	0.706	31%	0.309	S	S	*	.	H	α-helix	trans	-65	-45.6	177.4	-64.1	-177.1	179.8	0	0	111.9	Y346 F350 A351 L352	Y346-E348 VanDerWaalsContact C-N 3.31Å; Y346-E348 PolarHBondContact O-N 3.11Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 2.89Å; E348-A351 PolarHBondContact O-N 3.33Å; E348-L352 WeakPolarHBondContact O-CB 3.17Å; E348-L352 VanDerWaalsContact O-CG 3.27Å; E348-L352 WeakPolarHBondContact O-CG 3.44Å; E348-L352 PolarHBondContact O-N 2.99Å
349	E	95.1	Very high	96	Very high	22 Å²	22	64.4 Å²	64.4	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-38.3	179.4	-61.3	-67	162.7	0	0	111.2	Y346 L352 R353 Y360 P363 R466	Y346-E349 PolarHBondContact O-N 2.8Å; E349-L352 PolarHBondContact O-N 3.21Å; E349-R353 WeakPolarHBondContact O-CB 3.22Å; E349-R353 PolarHBondContact O-N 3.25Å; E349-Y360 HydrophobicContact CB-CE2 4.4Å; E349-Y360 WeakPolarHBondContact CB-OH 3.33Å; E349-Y360 WeakPolarHBondContact O-CE2 3.27Å; E349-Y360 WeakPolarHBondContact OE2-CE2 3.47Å; E349-Y360 PolarHBondContact OE2-OH 2.87Å; E349-P363 HydrophobicContact CG-CG 4.32Å; E349-R466 IonicContact OE1-CZ 3.8Å; E349-R466 VanDerWaalsContact OE1-CZ 3.25Å; E349-R466 IonicContact OE1-NH1 3.89Å; E349-R466 PolarHBondContact OE1-NH1 2.94Å; E349-R466 IonicContact OE1-NH2 3.21Å; E349-R466 PolarHBondContact OE1-NH2 3.04Å; E349-R466 IonicContact OE2-NH1 3.46Å; E349-R466 PolarHBondContact OE2-NH1 3.22Å
350	F	95.4	Very high	96	Very high	22 Å²	22	62.7 Å²	62.7	10%	0.096	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-47.7	174	-172.3	-93.7	0	0	0	111.7	Y339 I342 E343 Y346 P347 E348 R353 D354 R448	Y339-F350 HydrophobicContact CD1-CE2 4.17Å; I342-F350 HydrophobicContact CB-CD2 4.43Å; I342-F350 HydrophobicContact CG2-CB 4.42Å; I342-F350 HydrophobicContact CG2-CD2 4.07Å; E343-F350 HydrophobicContact CB-CD1 4.08Å; E343-F350 HydrophobicContact CB-CD2 3.92Å; E343-F350 HydrophobicContact CB-CE1 4.18Å; E343-F350 HydrophobicContact CB-CE2 4.03Å; E343-F350 HydrophobicContact CB-CG 3.93Å; E343-F350 HydrophobicContact CB-CZ 4.15Å; E343-F350 HydrophobicContact CG-CD1 3.89Å; E343-F350 HydrophobicContact CG-CE1 3.98Å; E343-F350 HydrophobicContact CG-CG 4.21Å; E343-F350 HydrophobicContact CG-CZ 4.38Å; Y346-F350 PolarHBondContact O-N 3.19Å; P347-F350 PolarHBondContact O-N 3.32Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 2.89Å; F350-R353 PolarHBondContact O-N 2.91Å; F350-D354 PolarHBondContact O-N 3.11Å; F350-R448 VanDerWaalsContact CZ-NH2 3.26Å
351	A	94.5	Very high	96.1	Very high	41 Å²	41	64.1 Å²	64.1	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-43.1	177.6	0	0	0	0	0	112.6	P347 E348 R353 D354 Q355	P347-A351 WeakPolarHBondContact O-CB 3.31Å; P347-A351 PolarHBondContact O-N 2.93Å; E348-A351 PolarHBondContact O-N 3.33Å; A351-R353 VanDerWaalsContact C-N 3.3Å; A351-R353 PolarHBondContact O-N 3.16Å; A351-D354 PolarHBondContact O-N 3.09Å; A351-D354 VanDerWaalsContact O-N 3.17Å; A351-Q355 WeakPolarHBondContact O-CG 3.32Å; A351-Q355 PolarHBondContact O-N 2.72Å; A351-Q355 VanDerWaalsContact O-N 3.09Å
352	L	94.3	Very high	96.1	Very high	79 Å²	79	60.6 Å²	60.6	41%	0.414	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-40.4	176.9	-75.3	171.3	0	0	0	111.8	E348 E349 D354 Q355 E356 Y360	E348-L352 WeakPolarHBondContact O-CB 3.17Å; E348-L352 VanDerWaalsContact O-CG 3.27Å; E348-L352 WeakPolarHBondContact O-CG 3.44Å; E348-L352 PolarHBondContact O-N 2.99Å; E349-L352 PolarHBondContact O-N 3.21Å; L352-D354 VanDerWaalsContact C-N 3.3Å; L352-D354 PolarHBondContact O-N 3.34Å; L352-Q355 PolarHBondContact O-N 2.84Å; L352-E356 PolarHBondContact O-N 3.38Å; L352-E356 VanDerWaalsContact O-N 3.07Å; L352-Y360 HydrophobicContact CB-CD2 4Å; L352-Y360 HydrophobicContact CB-CE2 4.16Å
353	R	96.2	Very high	96	Very high	18 Å²	18	62.1 Å²	62.1	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-34.7	176.2	-173.5	172	-174.9	-96.1	15.8	112.7	E349 F350 A351 K357 Y360 Y362	E349-R353 WeakPolarHBondContact O-CB 3.22Å; E349-R353 PolarHBondContact O-N 3.25Å; F350-R353 PolarHBondContact O-N 2.91Å; A351-R353 VanDerWaalsContact C-N 3.3Å; A351-R353 PolarHBondContact O-N 3.16Å; R353-K357 HydrophobicContact CG-CG 4.3Å; R353-K357 WeakPolarHBondContact O-CA 3.21Å; R353-K357 WeakPolarHBondContact O-CB 3.31Å; R353-K357 PolarHBondContact O-N 3.43Å; R353-K357 VanDerWaalsContact O-N 3.1Å; R353-Y360 HydrophobicContact CB-CD1 3.61Å; R353-Y360 HydrophobicContact CB-CD2 3.9Å; R353-Y360 HydrophobicContact CB-CE1 3.79Å; R353-Y360 HydrophobicContact CB-CE2 4.07Å; R353-Y360 HydrophobicContact CB-CG 3.67Å; R353-Y360 HydrophobicContact CG-CD1 3.48Å; R353-Y360 VanDerWaalsContact CG-CD1 3.48Å; R353-Y360 HydrophobicContact CG-CE1 3.88Å; R353-Y360 HydrophobicContact CG-CG 3.89Å; R353-Y362 WeakPolarHBondContact CD-OH 3.41Å; R353-Y362 PolarHBondContact NE-OH 2.84Å; R353-Y362 PolarHBondContact NH2-OH 3.42Å
354	D	93.1	Very high	96	Very high	24 Å²	24	61 Å²	61	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-72.8	-32.4	177.7	-83.4	-12.4	0	0	0	113.2	F350 A351 L352 R448 P451	F350-D354 PolarHBondContact O-N 3.11Å; A351-D354 PolarHBondContact O-N 3.09Å; A351-D354 VanDerWaalsContact O-N 3.17Å; L352-D354 VanDerWaalsContact C-N 3.3Å; L352-D354 PolarHBondContact O-N 3.34Å; D354-R448 VanDerWaalsContact CG-NH1 3.32Å; D354-R448 IonicContact OD1-CZ 3.92Å; D354-R448 IonicContact OD1-NH1 2.81Å; D354-R448 PolarHBondContact OD1-NH1 2.88Å; D354-R448 IonicContact OD1-NH2 3.74Å; D354-R448 IonicContact OD2-CZ 3.72Å; D354-R448 IonicContact OD2-NH1 3.02Å; D354-R448 PolarHBondContact OD2-NH1 3.43Å; D354-R448 IonicContact OD2-NH2 3.2Å; D354-R448 PolarHBondContact OD2-NH2 3.17Å; D354-P451 HydrophobicContact CB-CG 3.95Å; D354-P451 VanDerWaalsContact CG-CG 3.49Å; D354-P451 VanDerWaalsContact OD2-CG 3.25Å; D354-P451 WeakPolarHBondContact OD2-CG 3.4Å
355	Q	92.6	Very high	96	Very high	83 Å²	83	54.5 Å²	54.5	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-71.1	-46.5	176.4	-68.2	168.1	22.7	0	0	112	A351 L352	A351-Q355 WeakPolarHBondContact O-CG 3.32Å; A351-Q355 PolarHBondContact O-N 2.72Å; A351-Q355 VanDerWaalsContact O-N 3.09Å; L352-Q355 PolarHBondContact O-N 2.84Å
356	E	93.4	Very high	96.1	Very high	75 Å²	75	48.4 Å²	48.4	35%	0.35	26%	0.262	S	S	.	.	S	Bend	trans	-133	52.3	-169.6	-75	-69.5	166.2	0	0	112	L352 Y358 L359 Y360	L352-E356 PolarHBondContact O-N 3.38Å; L352-E356 VanDerWaalsContact O-N 3.07Å; E356-Y358 PolarHBondContact O-N 3.38Å; E356-L359 PolarHBondContact O-N 3.21Å; E356-Y360 VanDerWaalsContact O-CB 3.3Å; E356-Y360 WeakPolarHBondContact O-CB 3.25Å; E356-Y360 PolarHBondContact O-N 3.44Å
357	K	97.4	Very high	96.1	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.039	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.6	-169.5	-161.3	175.6	178.7	-166.1	0	115.6	R353 Y368 P413 Y414	R353-K357 HydrophobicContact CG-CG 4.3Å; R353-K357 WeakPolarHBondContact O-CA 3.21Å; R353-K357 WeakPolarHBondContact O-CB 3.31Å; R353-K357 PolarHBondContact O-N 3.43Å; R353-K357 VanDerWaalsContact O-N 3.1Å; K357-Y368 HydrophobicContact CG-CE2 4.41Å; K357-Y368 WeakPolarHBondContact O-CD2 3.04Å; K357-P413 HydrophobicContact CB-CB 4.14Å; K357-P413 HydrophobicContact CB-CG 4.47Å; K357-P413 HydrophobicContact CD-CB 3.73Å; K357-P413 HydrophobicContact CG-CB 3.82Å; K357-P413 PolarHBondContact NZ-O 2.71Å; K357-Y414 HydrophobicContact CB-CE2 4.28Å; K357-Y414 WeakPolarHBondContact CB-OH 3.47Å; K357-Y414 HydrophobicContact CD-CD1 4.19Å; K357-Y414 HydrophobicContact CD-CE1 3.45Å; K357-Y414 VanDerWaalsContact CD-CE1 3.45Å; K357-Y414 HydrophobicContact CD-CE2 4.09Å; K357-Y414 VanDerWaalsContact CD-CZ 3.42Å
358	Y	97	Very high	96.2	Very high	27 Å²	27	42.1 Å²	42.1	11%	0.106	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-44.4	178.3	-179.6	-105.1	0	0	0	112.5	E356 Y368 Q369 V372 A409 L412 P413	E356-Y358 PolarHBondContact O-N 3.38Å; Y358-Y368 PolarHBondContact O-N 2.98Å; Y358-Q369 HydrophobicContact CE1-CB 3.96Å; Y358-Q369 HydrophobicContact CE1-CG 4.35Å; Y358-Q369 PolarHBondContact O-N 2.95Å; Y358-V372 HydrophobicContact CE2-CG2 4.37Å; Y358-A409 WeakPolarHBondContact CB-O 3.37Å; Y358-A409 HydrophobicContact CD1-CB 3.66Å; Y358-A409 HydrophobicContact CD2-CB 4.06Å; Y358-A409 HydrophobicContact CE1-CB 3.67Å; Y358-A409 HydrophobicContact CE2-CB 4.11Å; Y358-A409 HydrophobicContact CG-CB 3.85Å; Y358-L412 HydrophobicContact CD2-CD2 4.42Å; Y358-L412 HydrophobicContact CE2-CD1 4.15Å; Y358-P413 HydrophobicContact CD2-CG 4.18Å
359	L	96.4	Very high	96.3	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.267	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.1	-174.8	-64.7	177.2	0	0	0	113.2	E356 R361	E356-L359 PolarHBondContact O-N 3.21Å; L359-R361 PolarHBondContact O-N 2.86Å
360	Y	97.5	Very high	96.5	Very high	20 Å²	20	36.4 Å²	36.4	8%	0.078	20%	0.203	C	C	.	.			trans	-58.9	124.2	177.2	172.5	-88.3	0	0	0	110.4	E349 L352 R353 E356 Y362 S367	E349-Y360 HydrophobicContact CB-CE2 4.4Å; E349-Y360 WeakPolarHBondContact CB-OH 3.33Å; E349-Y360 WeakPolarHBondContact O-CE2 3.27Å; E349-Y360 WeakPolarHBondContact OE2-CE2 3.47Å; E349-Y360 PolarHBondContact OE2-OH 2.87Å; L352-Y360 HydrophobicContact CB-CD2 4Å; L352-Y360 HydrophobicContact CB-CE2 4.16Å; R353-Y360 HydrophobicContact CB-CD1 3.61Å; R353-Y360 HydrophobicContact CB-CD2 3.9Å; R353-Y360 HydrophobicContact CB-CE1 3.79Å; R353-Y360 HydrophobicContact CB-CE2 4.07Å; R353-Y360 HydrophobicContact CB-CG 3.67Å; R353-Y360 HydrophobicContact CG-CD1 3.48Å; R353-Y360 VanDerWaalsContact CG-CD1 3.48Å; R353-Y360 HydrophobicContact CG-CE1 3.88Å; R353-Y360 HydrophobicContact CG-CG 3.89Å; E356-Y360 VanDerWaalsContact O-CB 3.3Å; E356-Y360 WeakPolarHBondContact O-CB 3.25Å; E356-Y360 PolarHBondContact O-N 3.44Å; Y360-Y362 AromaticContact CE1-CD1 3.79Å; Y360-Y362 HydrophobicContact CE1-CD1 3.79Å; Y360-Y362 AromaticContact CE1-CD2 3.97Å; Y360-Y362 HydrophobicContact CE1-CD2 3.97Å; Y360-Y362 HydrophobicContact CE1-CE1 4.04Å; Y360-Y362 HydrophobicContact CE1-CE2 4.22Å; Y360-Y362 AromaticContact CE1-CG 3.76Å; Y360-Y362 HydrophobicContact CE1-CG 3.76Å; Y360-S367 WeakPolarHBondContact O-CA 3.31Å; Y360-S367 WeakPolarHBondContact O-CB 3.39Å
361	R	98.1	Very high	96.6	Very high	91 Å²	91	35.4 Å²	35.4	34%	0.343	20%	0.198	S	C	.	.			trans	-107.3	124.7	174	-177.5	-178.6	-69.6	134.8	0.1	108.8	L359 G365 D370	L359-R361 PolarHBondContact O-N 2.86Å; R361-G365 WeakPolarHBondContact CD-O 3.49Å; R361-G365 VanDerWaalsContact CG-O 3.28Å; R361-G365 WeakPolarHBondContact CG-O 3.36Å; R361-D370 IonicContact CZ-OD1 2.67Å; R361-D370 IonicContact CZ-OD2 3.39Å; R361-D370 IonicContact NE-OD1 2.7Å; R361-D370 IonicContact NE-OD2 3.6Å; R361-D370 PolarHBondContact NE-OD2 3.46Å; R361-D370 IonicContact NH2-OD1 3.7Å; R361-D370 PolarHBondContact NH2-OD1 3.49Å; R361-D370 IonicContact NH2-OD2 3.19Å; R361-D370 PolarHBondContact NH2-OD2 2.98Å
362	Y	97.8	Very high	96.8	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	18%	0.183	C	C	.	.			trans	-57.1	142.7	173.1	-80.8	-81.4	0	0	0	111.4	A331 C334 R353 Y360 G364 G365 E366	A331-Y362 HydrophobicContact CB-CD1 4.36Å; A331-Y362 HydrophobicContact CB-CD2 4.32Å; A331-Y362 HydrophobicContact CB-CE1 4.37Å; A331-Y362 HydrophobicContact CB-CE2 4.31Å; A331-Y362 HydrophobicContact CB-CG 4.33Å; A331-Y362 WeakPolarHBondContact O-CB 3.35Å; A331-Y362 WeakPolarHBondContact O-CD1 3.45Å; C334-Y362 HydrophobicContact CB-CD1 3.9Å; C334-Y362 HydrophobicContact CB-CE1 3.84Å; R353-Y362 WeakPolarHBondContact CD-OH 3.41Å; R353-Y362 PolarHBondContact NE-OH 2.84Å; R353-Y362 PolarHBondContact NH2-OH 3.42Å; Y360-Y362 AromaticContact CE1-CD1 3.79Å; Y360-Y362 HydrophobicContact CE1-CD1 3.79Å; Y360-Y362 AromaticContact CE1-CD2 3.97Å; Y360-Y362 HydrophobicContact CE1-CD2 3.97Å; Y360-Y362 HydrophobicContact CE1-CE1 4.04Å; Y360-Y362 HydrophobicContact CE1-CE2 4.22Å; Y360-Y362 AromaticContact CE1-CG 3.76Å; Y360-Y362 HydrophobicContact CE1-CG 3.76Å; Y362-G364 PolarHBondContact O-N 3.46Å; Y362-G364 VanDerWaalsContact O-N 3.09Å; Y362-G365 PolarHBondContact O-N 3.1Å; Y362-E366 PolarHBondContact N-O 2.85Å
363	P	97.1	Very high	96.8	Very high	34 Å²	34	33.3 Å²	33.3	22%	0.221	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	117.4	174	-20.8	30.7	0	0	0	110.8	G332 V333 E349 G365	G332-P363 WeakPolarHBondContact CA-O 3.39Å; V333-P363 HydrophobicContact CG2-CB 3.89Å; V333-P363 HydrophobicContact CG2-CG 4.2Å; V333-P363 PolarHBondContact N-O 3.15Å; E349-P363 HydrophobicContact CG-CG 4.32Å; P363-G365 VanDerWaalsContact C-N 3.26Å; P363-G365 PolarHBondContact O-N 3.3Å
364	G	96.9	Very high	96.9	Very high	76 Å²	76	34.7 Å²	34.7	78%	0.784	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	9.9	-174.9	0	0	0	0	0	115.1	Y362	Y362-G364 PolarHBondContact O-N 3.46Å; Y362-G364 VanDerWaalsContact O-N 3.09Å
365	G	97.7	Very high	97.1	Very high	15 Å²	15	33.6 Å²	33.6	16%	0.155	18%	0.179	C	C	.	.	S	Bend	trans	-130.2	-149.6	-179	0	0	0	0	0	113.2	D330 R361 Y362 P363	D330-G365 CarbonylContact O-C 3.55Å; D330-G365 WeakPolarHBondContact O-CA 3.17Å; R361-G365 WeakPolarHBondContact CD-O 3.49Å; R361-G365 VanDerWaalsContact CG-O 3.28Å; R361-G365 WeakPolarHBondContact CG-O 3.36Å; Y362-G365 PolarHBondContact O-N 3.1Å; P363-G365 VanDerWaalsContact C-N 3.26Å; P363-G365 PolarHBondContact O-N 3.3Å
366	E	98.3	Very high	97.3	Very high	35 Å²	35	30.7 Å²	30.7	16%	0.164	17%	0.165	C	C	.	.			trans	-113.8	159.3	-171.7	-71.7	178.9	133.6	0	0	112.9	I329 D330 Y362 D370 R374	I329-E366 HydrophobicContact CD1-CB 4.49Å; I329-E366 HydrophobicContact CG1-CB 3.79Å; D330-E366 HydrophobicContact CB-CB 4.39Å; D330-E366 HydrophobicContact CB-CG 3.98Å; D330-E366 PolarHBondContact N-OE2 3.12Å; D330-E366 PolarHBondContact O-N 3.02Å; Y362-E366 PolarHBondContact N-O 2.85Å; E366-D370 HydrophobicContact CB-CB 4.19Å; E366-D370 HydrophobicContact CG-CB 4.28Å; E366-R374 IonicContact OE1-CZ 2.71Å; E366-R374 IonicContact OE1-NE 2.74Å; E366-R374 PolarHBondContact OE1-NE 3.29Å; E366-R374 IonicContact OE1-NH2 3.25Å; E366-R374 PolarHBondContact OE1-NH2 3.38Å; E366-R374 IonicContact OE2-CZ 3.45Å; E366-R374 IonicContact OE2-NE 3.75Å; E366-R374 IonicContact OE2-NH2 2.65Å; E366-R374 PolarHBondContact OE2-NH2 3.21Å
367	S	98.5	Very high	97.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	17%	0.169	C	C	.	.			trans	-103	169.6	160.7	64.3	0	0	0	0	111	Y360 Q369 D370 L371	Y360-S367 WeakPolarHBondContact O-CA 3.31Å; Y360-S367 WeakPolarHBondContact O-CB 3.39Å; S367-Q369 PolarHBondContact O-N 3.17Å; S367-Q369 PolarHBondContact OG-N 3.28Å; S367-D370 WeakPolarHBondContact CB-OD2 3.49Å; S367-D370 PolarHBondContact N-OD2 3.45Å; S367-D370 PolarHBondContact O-N 2.96Å; S367-D370 PolarHBondContact OG-N 3.5Å; S367-D370 VanDerWaalsContact OG-N 3.1Å; S367-D370 PolarHBondContact OG-OD2 3.18Å; S367-L371 PolarHBondContact O-N 3.17Å
368	Y	98.6	Very high	97.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-30.6	170.2	-83.5	-90.1	0	0	0	111.8	I329 K357 Y358 L371 V372 A395 R398 L412 P413	I329-Y368 HydrophobicContact CD1-CD2 4.28Å; I329-Y368 HydrophobicContact CD1-CE2 4.44Å; K357-Y368 HydrophobicContact CG-CE2 4.41Å; K357-Y368 WeakPolarHBondContact O-CD2 3.04Å; Y358-Y368 PolarHBondContact O-N 2.98Å; Y368-L371 HydrophobicContact CD1-CD2 4.46Å; Y368-L371 WeakPolarHBondContact O-CB 3.34Å; Y368-L371 PolarHBondContact O-N 3.1Å; Y368-V372 WeakPolarHBondContact O-CG2 3.34Å; Y368-V372 PolarHBondContact O-N 3.41Å; Y368-A395 HydrophobicContact CE1-CB 3.64Å; Y368-R398 HydrophobicContact CE1-CB 4.39Å; Y368-R398 PolarHBondContact OH-NH1 2.95Å; Y368-R398 VanDerWaalsContact OH-NH1 3.1Å; Y368-L412 HydrophobicContact CD1-CD2 3.34Å; Y368-L412 HydrophobicContact CE1-CD2 3.91Å; Y368-L412 HydrophobicContact CG-CD2 4.05Å; Y368-P413 HydrophobicContact CD1-CG 4.5Å; Y368-P413 HydrophobicContact CD2-CB 3.95Å; Y368-P413 HydrophobicContact CD2-CG 4.02Å; Y368-P413 HydrophobicContact CE1-CB 4.39Å; Y368-P413 HydrophobicContact CE2-CB 3.76Å; Y368-P413 HydrophobicContact CE2-CG 4.34Å; Y368-P413 HydrophobicContact CG-CB 4.36Å; Y368-P413 HydrophobicContact CG-CG 4.1Å
369	Q	97.6	Very high	97.6	Very high	26 Å²	26	28.5 Å²	28.5	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-39.3	173.5	-176	179.9	59.9	0	0	112.2	Y358 S367 L371 Q373	Y358-Q369 HydrophobicContact CE1-CB 3.96Å; Y358-Q369 HydrophobicContact CE1-CG 4.35Å; Y358-Q369 PolarHBondContact O-N 2.95Å; S367-Q369 PolarHBondContact O-N 3.17Å; S367-Q369 PolarHBondContact OG-N 3.28Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; Q369-Q373 WeakPolarHBondContact O-CG 3.38Å; Q369-Q373 PolarHBondContact O-N 3.34Å
370	D	97.8	Very high	97.6	Very high	27 Å²	27	26.2 Å²	26.2	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-40.8	174.2	-59.1	-48	0	0	0	110.6	R361 E366 S367 V372 Q373 R374	R361-D370 IonicContact CZ-OD1 2.67Å; R361-D370 IonicContact CZ-OD2 3.39Å; R361-D370 IonicContact NE-OD1 2.7Å; R361-D370 IonicContact NE-OD2 3.6Å; R361-D370 PolarHBondContact NE-OD2 3.46Å; R361-D370 IonicContact NH2-OD1 3.7Å; R361-D370 PolarHBondContact NH2-OD1 3.49Å; R361-D370 IonicContact NH2-OD2 3.19Å; R361-D370 PolarHBondContact NH2-OD2 2.98Å; E366-D370 HydrophobicContact CB-CB 4.19Å; E366-D370 HydrophobicContact CG-CB 4.28Å; S367-D370 WeakPolarHBondContact CB-OD2 3.49Å; S367-D370 PolarHBondContact N-OD2 3.45Å; S367-D370 PolarHBondContact O-N 2.96Å; S367-D370 PolarHBondContact OG-N 3.5Å; S367-D370 VanDerWaalsContact OG-N 3.1Å; S367-D370 PolarHBondContact OG-OD2 3.18Å; D370-V372 PolarHBondContact O-N 3.42Å; D370-Q373 PolarHBondContact O-N 3.07Å; D370-R374 WeakPolarHBondContact O-CB 3.32Å; D370-R374 PolarHBondContact O-N 2.91Å
371	L	98.1	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-42.3	178	-173.9	57.5	0	0	0	112.4	I329 S367 Y368 Q369 Q373 R374 L375 A395 V396	I329-L371 HydrophobicContact CB-CD2 4.24Å; S367-L371 PolarHBondContact O-N 3.17Å; Y368-L371 HydrophobicContact CD1-CD2 4.46Å; Y368-L371 WeakPolarHBondContact O-CB 3.34Å; Y368-L371 PolarHBondContact O-N 3.1Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; L371-Q373 VanDerWaalsContact C-N 3.34Å; L371-Q373 PolarHBondContact O-N 3.34Å; L371-R374 PolarHBondContact O-N 3.09Å; L371-L375 HydrophobicContact CD1-CD1 3.91Å; L371-L375 HydrophobicContact CD1-CG 4.1Å; L371-L375 HydrophobicContact CG-CD1 3.78Å; L371-L375 HydrophobicContact CG-CG 4.37Å; L371-L375 WeakPolarHBondContact O-CB 3.42Å; L371-L375 VanDerWaalsContact O-CG 3.23Å; L371-L375 WeakPolarHBondContact O-CG 3.36Å; L371-L375 PolarHBondContact O-N 2.97Å; L371-A395 HydrophobicContact CD2-CB 3.79Å; L371-V396 HydrophobicContact CD1-CG2 4.1Å; L371-V396 HydrophobicContact CD2-CG2 4.37Å
372	V	97.8	Very high	97.4	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-57.8	-46.7	173.2	162.5	0	0	0	0	111	W66 Y358 Y368 D370 R374 L375 E376 C399 L412	W66-V372 HydrophobicContact CD2-CG1 4.03Å; W66-V372 HydrophobicContact CE3-CG1 3.96Å; W66-V372 HydrophobicContact CH2-CB 4.44Å; W66-V372 HydrophobicContact CH2-CG1 4Å; W66-V372 VanDerWaalsContact CH2-O 3.25Å; W66-V372 WeakPolarHBondContact CH2-O 3.4Å; W66-V372 HydrophobicContact CZ2-CB 4.33Å; W66-V372 HydrophobicContact CZ2-CG1 4.09Å; W66-V372 HydrophobicContact CZ2-CG2 4.12Å; W66-V372 HydrophobicContact CZ3-CG1 3.92Å; W66-V372 WeakPolarHBondContact O-CG1 3.26Å; Y358-V372 HydrophobicContact CE2-CG2 4.37Å; Y368-V372 WeakPolarHBondContact O-CG2 3.34Å; Y368-V372 PolarHBondContact O-N 3.41Å; D370-V372 PolarHBondContact O-N 3.42Å; V372-R374 VanDerWaalsContact C-N 3.34Å; V372-R374 PolarHBondContact O-N 2.74Å; V372-L375 PolarHBondContact O-N 3.26Å; V372-E376 PolarHBondContact O-N 2.83Å; V372-E376 VanDerWaalsContact O-N 3.13Å; V372-C399 HydrophobicContact CG2-CB 4.46Å; V372-L412 HydrophobicContact CG2-CD1 4.09Å
373	Q	94.6	Very high	97.2	Very high	73 Å²	73	21.9 Å²	21.9	34%	0.341	13%	0.134	S	C	.	.	H	α-helix	trans	-62.7	-41.8	177.6	-68.3	174.9	15.7	0	0	111.7	Q369 D370 L371 L375 E376	Q369-Q373 WeakPolarHBondContact O-CG 3.38Å; Q369-Q373 PolarHBondContact O-N 3.34Å; D370-Q373 PolarHBondContact O-N 3.07Å; L371-Q373 VanDerWaalsContact C-N 3.34Å; L371-Q373 PolarHBondContact O-N 3.34Å; Q373-L375 VanDerWaalsContact C-N 3.31Å; Q373-L375 PolarHBondContact O-N 3.05Å; Q373-E376 PolarHBondContact O-N 3.13Å
374	R	98	Very high	97	Very high	48 Å²	48	26.1 Å²	26.1	18%	0.181	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-33	176.7	176	162.9	60.8	92.4	-23.9	112.8	I325 N327 E328 E366 D370 L371 V372 P377	I325-R374 VanDerWaalsContact C-NH1 3.3Å; I325-R374 HydrophobicContact CB-CG 3.84Å; I325-R374 HydrophobicContact CG2-CG 3.99Å; I325-R374 PolarHBondContact O-NH1 3.38Å; N327-R374 PolarHBondContact O-NH1 3.47Å; N327-R374 PolarHBondContact O-NH2 2.85Å; E328-R374 PolarHBondContact O-NH2 3.33Å; E366-R374 IonicContact OE1-CZ 2.71Å; E366-R374 IonicContact OE1-NE 2.74Å; E366-R374 PolarHBondContact OE1-NE 3.29Å; E366-R374 IonicContact OE1-NH2 3.25Å; E366-R374 PolarHBondContact OE1-NH2 3.38Å; E366-R374 IonicContact OE2-CZ 3.45Å; E366-R374 IonicContact OE2-NE 3.75Å; E366-R374 IonicContact OE2-NH2 2.65Å; E366-R374 PolarHBondContact OE2-NH2 3.21Å; D370-R374 WeakPolarHBondContact O-CB 3.32Å; D370-R374 PolarHBondContact O-N 2.91Å; L371-R374 PolarHBondContact O-N 3.09Å; V372-R374 VanDerWaalsContact C-N 3.34Å; V372-R374 PolarHBondContact O-N 2.74Å; R374-P377 WeakPolarHBondContact O-CD 3.49Å
375	L	98.6	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-88.1	-6.7	-177.8	-70.5	173	0	0	0	114	W66 I325 L326 L371 V372 Q373 P377 V378 I379 V396 C399 L400	W66-L375 HydrophobicContact CH2-CB 3.94Å; W66-L375 HydrophobicContact CZ2-CB 4.38Å; I325-L375 WeakPolarHBondContact O-CD2 3.46Å; L326-L375 HydrophobicContact CD2-CD2 3.93Å; L371-L375 HydrophobicContact CD1-CD1 3.91Å; L371-L375 HydrophobicContact CD1-CG 4.1Å; L371-L375 HydrophobicContact CG-CD1 3.78Å; L371-L375 HydrophobicContact CG-CG 4.37Å; L371-L375 WeakPolarHBondContact O-CB 3.42Å; L371-L375 VanDerWaalsContact O-CG 3.23Å; L371-L375 WeakPolarHBondContact O-CG 3.36Å; L371-L375 PolarHBondContact O-N 2.97Å; V372-L375 PolarHBondContact O-N 3.26Å; Q373-L375 VanDerWaalsContact C-N 3.31Å; Q373-L375 PolarHBondContact O-N 3.05Å; L375-P377 VanDerWaalsContact C-CD 3.49Å; L375-P377 VanDerWaalsContact C-N 3.34Å; L375-V378 HydrophobicContact CD2-CB 4.41Å; L375-V378 HydrophobicContact CD2-CG2 3.93Å; L375-V378 WeakPolarHBondContact O-CA 3.5Å; L375-V378 WeakPolarHBondContact O-CB 3.31Å; L375-V378 PolarHBondContact O-N 3.27Å; L375-I379 PolarHBondContact O-N 2.73Å; L375-V396 HydrophobicContact CD1-CG1 4.04Å; L375-V396 HydrophobicContact CD2-CG1 3.96Å; L375-C399 HydrophobicContact CD1-CB 3.54Å; L375-L400 HydrophobicContact CD1-CD2 4.41Å
376	E	97	Very high	96.6	Very high	22 Å²	22	24.9 Å²	24.9	10%	0.103	12%	0.124	C	C	.	.	H	α-helix	trans	-51.2	-46.7	177.5	-167.9	-168.6	143.5	0	0	112.6	Y63 W66 I67 K239 V372 Q373 V378 I379 M380	Y63-E376 HydrophobicContact CE2-CG 4.22Å; Y63-E376 PolarHBondContact OH-OE1 3.09Å; W66-E376 HydrophobicContact CZ3-CB 4.36Å; I67-E376 HydrophobicContact CG2-CG 4.19Å; K239-E376 IonicContact NZ-OE1 2.69Å; K239-E376 PolarHBondContact NZ-OE1 3.22Å; K239-E376 IonicContact NZ-OE2 3.54Å; V372-E376 PolarHBondContact O-N 2.83Å; V372-E376 VanDerWaalsContact O-N 3.13Å; Q373-E376 PolarHBondContact O-N 3.13Å; E376-V378 VanDerWaalsContact C-N 3.28Å; E376-V378 PolarHBondContact O-N 2.82Å; E376-I379 PolarHBondContact O-N 3Å; E376-I379 VanDerWaalsContact O-N 3.15Å; E376-M380 WeakPolarHBondContact O-CG 3.41Å; E376-M380 PolarHBondContact O-N 3.21Å
377	P	97.2	Very high	96.5	Very high	66 Å²	66	25.3 Å²	25.3	43%	0.429	13%	0.128	S	C	.	.	H	α-helix	trans	-63.4	-31.4	177.2	-20.9	34.4	0	0	0	113.7	I325 R374 L375 M380 E381	I325-P377 HydrophobicContact CD1-CB 3.93Å; I325-P377 HydrophobicContact CD1-CG 4.23Å; R374-P377 WeakPolarHBondContact O-CD 3.49Å; L375-P377 VanDerWaalsContact C-CD 3.49Å; L375-P377 VanDerWaalsContact C-N 3.34Å; P377-M380 PolarHBondContact O-N 3.29Å; P377-E381 PolarHBondContact O-N 3.05Å; P377-E381 VanDerWaalsContact O-N 3.1Å
378	V	98.2	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-45.2	174.9	-178.1	0	0	0	0	109.9	W302 W323 I325 L326 L375 E376 M380 E381 L382 L400	W302-V378 HydrophobicContact CE3-CG1 4.24Å; W302-V378 HydrophobicContact CZ3-CG1 3.94Å; W323-V378 HydrophobicContact CE3-CG2 4.21Å; I325-V378 HydrophobicContact CD1-CG2 3.48Å; I325-V378 VanDerWaalsContact CD1-CG2 3.48Å; I325-V378 HydrophobicContact CG1-CG2 3.66Å; L326-V378 HydrophobicContact CD2-CG1 3.99Å; L326-V378 HydrophobicContact CD2-CG2 4.08Å; L326-V378 HydrophobicContact CG-CG2 4.25Å; L375-V378 HydrophobicContact CD2-CB 4.41Å; L375-V378 HydrophobicContact CD2-CG2 3.93Å; L375-V378 WeakPolarHBondContact O-CA 3.5Å; L375-V378 WeakPolarHBondContact O-CB 3.31Å; L375-V378 PolarHBondContact O-N 3.27Å; E376-V378 VanDerWaalsContact C-N 3.28Å; E376-V378 PolarHBondContact O-N 2.82Å; V378-M380 VanDerWaalsContact C-N 3.32Å; V378-M380 PolarHBondContact O-N 3.35Å; V378-E381 PolarHBondContact O-N 2.96Å; V378-L382 HydrophobicContact CG1-CD1 4.1Å; V378-L382 HydrophobicContact CG1-CG 4.31Å; V378-L382 WeakPolarHBondContact O-CG 3.44Å; V378-L382 PolarHBondContact O-N 2.93Å; V378-L400 HydrophobicContact CG1-CD2 4.19Å
379	I	97.6	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-42.7	177	-65.1	-58.6	0	0	0	111	W66 L375 E376 E381 L382 E383 L400 Y403 F404	W66-I379 HydrophobicContact CE3-CG1 4.42Å; W66-I379 HydrophobicContact CH2-CD1 4.45Å; W66-I379 HydrophobicContact CH2-CG1 3.52Å; W66-I379 HydrophobicContact CZ2-CD1 4.42Å; W66-I379 HydrophobicContact CZ2-CG1 3.95Å; W66-I379 HydrophobicContact CZ3-CB 4.47Å; W66-I379 HydrophobicContact CZ3-CG1 3.79Å; L375-I379 PolarHBondContact O-N 2.73Å; E376-I379 PolarHBondContact O-N 3Å; E376-I379 VanDerWaalsContact O-N 3.15Å; I379-E381 VanDerWaalsContact C-N 3.3Å; I379-E381 PolarHBondContact O-N 2.81Å; I379-L382 HydrophobicContact CD1-CD1 4.36Å; I379-L382 PolarHBondContact O-N 3.29Å; I379-E383 HydrophobicContact CG2-CG 4.41Å; I379-E383 WeakPolarHBondContact O-CB 3.35Å; I379-E383 VanDerWaalsContact O-CG 3.3Å; I379-E383 WeakPolarHBondContact O-CG 3.4Å; I379-E383 PolarHBondContact O-N 3.4Å; I379-L400 HydrophobicContact CD1-CD2 3.57Å; I379-L400 HydrophobicContact CG1-CD2 4.38Å; I379-Y403 HydrophobicContact CD1-CD1 3.69Å; I379-Y403 HydrophobicContact CD1-CE1 4.38Å; I379-Y403 HydrophobicContact CD1-CG 3.77Å; I379-Y403 HydrophobicContact CG1-CD1 4.47Å; I379-Y403 HydrophobicContact CG1-CG 4.28Å; I379-Y403 HydrophobicContact CG2-CD1 3.85Å; I379-Y403 HydrophobicContact CG2-CD2 3.87Å; I379-Y403 HydrophobicContact CG2-CE1 3.54Å; I379-Y403 HydrophobicContact CG2-CE2 3.56Å; I379-Y403 HydrophobicContact CG2-CG 4Å; I379-F404 HydrophobicContact CD1-CE2 4.43Å
380	M	96.1	Very high	96.6	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-41.8	177.4	-60.4	-58.1	90.1	0	0	111.9	Y63 Y242 Y243 E376 P377 V378 E383 R384	Y63-M380 HydrophobicContact CD2-CE 3.82Å; Y63-M380 HydrophobicContact CE2-CE 3.42Å; Y63-M380 VanDerWaalsContact CE2-CE 3.42Å; Y63-M380 HydrophobicContact CE2-SD 4.32Å; Y242-M380 HydrophobicContact CD1-SD 4.21Å; Y242-M380 HydrophobicContact CE1-CB 4.44Å; Y242-M380 HydrophobicContact CE1-CG 3.66Å; Y242-M380 HydrophobicContact CE1-SD 3.92Å; Y243-M380 HydrophobicContact CD2-CE 3.55Å; Y243-M380 HydrophobicContact CD2-SD 3.83Å; Y243-M380 HydrophobicContact CE2-CE 3.82Å; E376-M380 WeakPolarHBondContact O-CG 3.41Å; E376-M380 PolarHBondContact O-N 3.21Å; P377-M380 PolarHBondContact O-N 3.29Å; V378-M380 VanDerWaalsContact C-N 3.32Å; V378-M380 PolarHBondContact O-N 3.35Å; M380-E383 PolarHBondContact O-N 3.25Å; M380-R384 PolarHBondContact O-N 2.73Å
381	E	96.3	Very high	96.6	Very high	24 Å²	24	22.6 Å²	22.6	11%	0.112	11%	0.114	C	C	.	.	H	α-helix	trans	-70	-40.9	178.6	-165.1	65.9	-150	0	0	111.7	W302 W323 P377 V378 I379 E383 R384 Q385	W302-E381 HydrophobicContact CH2-CB 3.49Å; W302-E381 VanDerWaalsContact CH2-CB 3.49Å; W302-E381 HydrophobicContact CH2-CG 3.18Å; W302-E381 HydrophobicContact CZ2-CB 4.17Å; W302-E381 HydrophobicContact CZ2-CG 3.35Å; W302-E381 HydrophobicContact CZ3-CB 4.22Å; W302-E381 HydrophobicContact CZ3-CG 4.28Å; W323-E381 HydrophobicContact CH2-CB 4Å; W323-E381 HydrophobicContact CH2-CG 3.78Å; W323-E381 HydrophobicContact CZ2-CG 4.21Å; P377-E381 PolarHBondContact O-N 3.05Å; P377-E381 VanDerWaalsContact O-N 3.1Å; V378-E381 PolarHBondContact O-N 2.96Å; I379-E381 VanDerWaalsContact C-N 3.3Å; I379-E381 PolarHBondContact O-N 2.81Å; E381-E383 PolarHBondContact O-N 2.88Å; E381-R384 PolarHBondContact O-N 2.82Å; E381-R384 IonicContact OE1-CZ 3.64Å; E381-R384 IonicContact OE1-NE 2.65Å; E381-R384 PolarHBondContact OE1-NE 2.9Å; E381-R384 IonicContact OE1-NH1 2.91Å; E381-R384 IonicContact OE1-NH2 3.68Å; E381-R384 PolarHBondContact OE1-NH2 3.12Å; E381-R384 IonicContact OE2-CZ 3.55Å; E381-R384 IonicContact OE2-NE 3.6Å; E381-R384 IonicContact OE2-NH1 3.58Å; E381-R384 PolarHBondContact OE2-NH1 3.12Å; E381-R384 IonicContact OE2-NH2 2.7Å; E381-R384 PolarHBondContact OE2-NH2 3.44Å; E381-Q385 HydrophobicContact CG-CG 4.05Å; E381-Q385 WeakPolarHBondContact O-CB 3.39Å; E381-Q385 WeakPolarHBondContact O-CG 3.36Å; E381-Q385 PolarHBondContact O-N 3.41Å; E381-Q385 PolarHBondContact OE1-NE2 3.44Å
382	L	95.9	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-30.3	172.8	-69.4	175	0	0	0	112.6	R252 I254 W302 V378 I379 R384 I388 V390 L400 F404	R252-L382 PolarHBondContact NH2-O 3.2Å; I254-L382 HydrophobicContact CG2-CD2 4.45Å; W302-L382 HydrophobicContact CE3-CD2 4.23Å; W302-L382 HydrophobicContact CH2-CD2 4Å; W302-L382 HydrophobicContact CH2-CG 4.3Å; W302-L382 HydrophobicContact CZ3-CD2 3.53Å; W302-L382 HydrophobicContact CZ3-CG 3.77Å; V378-L382 HydrophobicContact CG1-CD1 4.1Å; V378-L382 HydrophobicContact CG1-CG 4.31Å; V378-L382 WeakPolarHBondContact O-CG 3.44Å; V378-L382 PolarHBondContact O-N 2.93Å; I379-L382 HydrophobicContact CD1-CD1 4.36Å; I379-L382 PolarHBondContact O-N 3.29Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-I388 HydrophobicContact CD2-CD1 3.73Å; L382-I388 HydrophobicContact CD2-CG1 4.24Å; L382-I388 HydrophobicContact CD2-CG2 3.58Å; L382-V390 HydrophobicContact CD2-CG2 3.89Å; L382-L400 HydrophobicContact CD1-CD2 4.36Å; L382-F404 HydrophobicContact CB-CZ 4.04Å; L382-F404 HydrophobicContact CD1-CE2 3.82Å; L382-F404 HydrophobicContact CD1-CZ 3.89Å
383	E	93.9	Very high	96.7	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-73.8	-25.2	175.9	-75.2	-65.4	-176.5	0	0	113.5	K59 R62 Y243 N246 I247 H248 R252 I379 M380 E381 Y403	K59-E383 WeakPolarHBondContact CE-OE1 3.49Å; K59-E383 WeakPolarHBondContact CE-OE2 3.37Å; K59-E383 IonicContact NZ-OE1 3.07Å; K59-E383 IonicContact NZ-OE2 3.62Å; K59-E383 PolarHBondContact NZ-OE2 2.71Å; R62-E383 IonicContact NH2-OE1 3.71Å; Y243-E383 HydrophobicContact CE2-CG 4.33Å; N246-E383 CarbonylContact O-C 3.57Å; N246-E383 VanDerWaalsContact O-C 3.24Å; N246-E383 VanDerWaalsContact O-O 3.13Å; I247-E383 HydrophobicContact CG2-CB 4.17Å; I247-E383 HydrophobicContact CG2-CG 4.32Å; H248-E383 PolarHBondContact CD2-O 3.38Å; H248-E383 PolarHBondContact NE2-O 2.61Å; R252-E383 PolarHBondContact NH2-O 3.35Å; R252-E383 IonicContact NH2-OE2 3.21Å; R252-E383 PolarHBondContact NH2-OE2 3.24Å; R252-E383 VanDerWaalsContact NH2-OE2 3.08Å; I379-E383 HydrophobicContact CG2-CG 4.41Å; I379-E383 WeakPolarHBondContact O-CB 3.35Å; I379-E383 VanDerWaalsContact O-CG 3.3Å; I379-E383 WeakPolarHBondContact O-CG 3.4Å; I379-E383 PolarHBondContact O-N 3.4Å; M380-E383 PolarHBondContact O-N 3.25Å; E381-E383 PolarHBondContact O-N 2.88Å; E383-Y403 HydrophobicContact CG-CE1 4.41Å; E383-Y403 WeakPolarHBondContact CG-OH 3.41Å; E383-Y403 VanDerWaalsContact OE1-CE1 3.27Å; E383-Y403 WeakPolarHBondContact OE1-CE1 3.3Å; E383-Y403 VanDerWaalsContact OE1-CZ 3.3Å; E383-Y403 PolarHBondContact OE1-OH 2.78Å
384	R	92.6	Very high	96.9	Very high	124 Å²	124	19.8 Å²	19.8	47%	0.468	10%	0.101	S	C	.	.	H	α-helix	trans	-90.1	-31.5	179.4	-167.4	175.8	81.4	-143.6	10.1	113.7	N246 H248 M380 E381 L382	N246-R384 WeakPolarHBondContact O-CA 3.09Å; N246-R384 PolarHBondContact O-N 3.43Å; H248-R384 PolarHBondContact CD2-O 2.88Å; H248-R384 PolarHBondContact NE2-O 2.84Å; M380-R384 PolarHBondContact O-N 2.73Å; E381-R384 PolarHBondContact O-N 2.82Å; E381-R384 IonicContact OE1-CZ 3.64Å; E381-R384 IonicContact OE1-NE 2.65Å; E381-R384 PolarHBondContact OE1-NE 2.9Å; E381-R384 IonicContact OE1-NH1 2.91Å; E381-R384 IonicContact OE1-NH2 3.68Å; E381-R384 PolarHBondContact OE1-NH2 3.12Å; E381-R384 IonicContact OE2-CZ 3.55Å; E381-R384 IonicContact OE2-NE 3.6Å; E381-R384 IonicContact OE2-NH1 3.58Å; E381-R384 PolarHBondContact OE2-NH1 3.12Å; E381-R384 IonicContact OE2-NH2 2.7Å; E381-R384 PolarHBondContact OE2-NH2 3.44Å; L382-R384 VanDerWaalsContact C-N 3.32Å
385	Q	92.3	Very high	97	Very high	31 Å²	31	17.6 Å²	17.6	15%	0.145	9%	0.094	C	C	.	.			trans	-84.7	159.3	-173.2	-67.9	-61.9	-19.6	0	0	112.9	H248 R252 K300 W302 E381	H248-Q385 PolarHBondContact NE2-O 3.48Å; H248-Q385 VanDerWaalsContact NE2-O 3.16Å; R252-Q385 WeakPolarHBondContact CD-O 3.46Å; R252-Q385 PolarHBondContact NE-O 3.33Å; R252-Q385 VanDerWaalsContact NE-O 3.1Å; K300-Q385 VanDerWaalsContact NZ-CD 3.31Å; W302-Q385 HydrophobicContact CH2-CG 4.4Å; W302-Q385 HydrophobicContact CZ2-CG 4.15Å; E381-Q385 HydrophobicContact CG-CG 4.05Å; E381-Q385 WeakPolarHBondContact O-CB 3.39Å; E381-Q385 WeakPolarHBondContact O-CG 3.36Å; E381-Q385 PolarHBondContact O-N 3.41Å; E381-Q385 PolarHBondContact OE1-NE2 3.44Å
386	G	93.6	Very high	97	Very high	33 Å²	33	17.6 Å²	17.6	34%	0.34	9%	0.094	S	C	.	.	S	Bend	trans	-80.7	-123.7	170.8	0	0	0	0	0	112.7
387	N	97.1	Very high	97.1	Very high	45 Å²	45	16.6 Å²	16.6	24%	0.241	9%	0.089	C	C	.	.	S	Bend	trans	-72.3	128.7	-178.6	-63.7	-32.5	0	0	0	111.4	T253 I296 Q297 L299 K300	T253-N387 PolarHBondContact N-OD1 3.22Å; T253-N387 VanDerWaalsContact N-OD1 3.07Å; T253-N387 WeakPolarHBondContact O-CA 3.49Å; I296-N387 HydrophobicContact CG2-CB 3.66Å; Q297-N387 PolarHBondContact O-ND2 3.4Å; L299-N387 HydrophobicContact CD1-CB 4.39Å; K300-N387 PolarHBondContact N-O 2.79Å; K300-N387 VanDerWaalsContact N-O 3.08Å
388	I	98.1	Very high	97.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.7	-174.3	-172.9	159	0	0	0	112.7	T253 I254 Y255 K300 W302 L382 V390	T253-I388 PolarHBondContact O-N 3.29Å; I254-I388 CarbonylContact C-O 3.58Å; I254-I388 WeakPolarHBondContact CA-O 3.33Å; I254-I388 HydrophobicContact CB-CG2 4.19Å; I254-I388 HydrophobicContact CG1-CG2 3.79Å; I254-I388 HydrophobicContact CG2-CG2 4.04Å; Y255-I388 PolarHBondContact N-O 3.06Å; K300-I388 HydrophobicContact CB-CD1 4.34Å; K300-I388 HydrophobicContact CB-CG1 4.21Å; K300-I388 CarbonylContact O-C 3.58Å; K300-I388 WeakPolarHBondContact O-CA 3.43Å; W302-I388 HydrophobicContact CD2-CD1 3.39Å; W302-I388 HydrophobicContact CD2-CG1 4.36Å; W302-I388 HydrophobicContact CE3-CD1 3.58Å; W302-I388 HydrophobicContact CG-CD1 4.07Å; W302-I388 HydrophobicContact CH2-CD1 3.29Å; W302-I388 HydrophobicContact CZ2-CD1 3.2Å; W302-I388 HydrophobicContact CZ3-CD1 3.54Å; L382-I388 HydrophobicContact CD2-CD1 3.73Å; L382-I388 HydrophobicContact CD2-CG1 4.24Å; L382-I388 HydrophobicContact CD2-CG2 3.58Å; I388-V390 HydrophobicContact CG1-CG2 4.28Å
389	L	98.8	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.4	169.2	170.8	65.1	0	0	0	109.5	Y255 L287 L291 L299 K300 V301 W302 L316 I391	Y255-L389 CarbonylContact O-C 3.58Å; Y255-L389 WeakPolarHBondContact O-CA 3.31Å; L287-L389 HydrophobicContact CD2-CD2 4.44Å; L291-L389 HydrophobicContact CD1-CD2 3.75Å; L291-L389 HydrophobicContact CD2-CD2 4.32Å; L299-L389 HydrophobicContact CD1-CB 4.11Å; L299-L389 HydrophobicContact CD2-CB 4.5Å; K300-L389 PolarHBondContact O-N 3.46Å; V301-L389 CarbonylContact C-O 3.57Å; V301-L389 WeakPolarHBondContact CA-O 3.36Å; V301-L389 HydrophobicContact CG1-CD2 4.32Å; V301-L389 HydrophobicContact CG2-CB 4.38Å; V301-L389 HydrophobicContact CG2-CD2 4.36Å; W302-L389 PolarHBondContact N-O 3.38Å; L316-L389 HydrophobicContact CD1-CD2 4.07Å; L389-I391 HydrophobicContact CD1-CG1 4.38Å; L389-I391 HydrophobicContact CD2-CD1 4.14Å; L389-I391 HydrophobicContact CD2-CG1 4.13Å; L389-I391 HydrophobicContact CG-CG1 4.01Å
390	V	98.9	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.4	173.7	-172.9	0	0	0	0	109.5	Y255 L256 C257 W302 L326 L382 I388 L400	Y255-V390 PolarHBondContact O-N 3.23Å; L256-V390 HydrophobicContact CD2-CB 3.7Å; L256-V390 HydrophobicContact CD2-CG2 3.9Å; C257-V390 PolarHBondContact N-O 3.29Å; C257-V390 VanDerWaalsContact N-O 3.1Å; C257-V390 VanDerWaalsContact O-O 3.1Å; W302-V390 HydrophobicContact CE3-CG2 4.12Å; L326-V390 HydrophobicContact CD1-CG1 3.78Å; L326-V390 HydrophobicContact CD2-CG1 4.04Å; L382-V390 HydrophobicContact CD2-CG2 3.89Å; I388-V390 HydrophobicContact CG1-CG2 4.28Å; V390-L400 HydrophobicContact CG1-CD1 4.14Å
391	I	98.9	Very high	97.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	104.9	175	-53.1	173.1	0	0	0	108.1	C257 L287 V301 W302 T303 T309 T312 A313 L316 L389	C257-I391 WeakPolarHBondContact O-CA 3.18Å; L287-I391 HydrophobicContact CD2-CD1 4.21Å; V301-I391 HydrophobicContact CG1-CD1 4.07Å; W302-I391 PolarHBondContact O-N 3.01Å; T303-I391 WeakPolarHBondContact CA-O 3.47Å; T303-I391 HydrophobicContact CG2-CB 4.47Å; T309-I391 HydrophobicContact CG2-CG2 4.29Å; T309-I391 WeakPolarHBondContact CG2-O 3.25Å; T312-I391 HydrophobicContact CG2-CD1 4.15Å; T312-I391 HydrophobicContact CG2-CG2 4.01Å; A313-I391 HydrophobicContact CB-CD1 4Å; L316-I391 HydrophobicContact CD1-CD1 4.02Å; L389-I391 HydrophobicContact CD1-CG1 4.38Å; L389-I391 HydrophobicContact CD2-CD1 4.14Å; L389-I391 HydrophobicContact CD2-CG1 4.13Å; L389-I391 HydrophobicContact CG-CG1 4.01Å
392	S	98.9	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-142.8	-171.5	67.3	0	0	0	0	112.3	C257 R258 H259	C257-S392 PolarHBondContact O-N 2.77Å; R258-S392 CarbonylContact C-O 3.29Å; R258-S392 WeakPolarHBondContact CA-O 3.43Å; H259-S392 PolarHBondContact CD2-O 3.42Å; H259-S392 VanDerWaalsContact CD2-O 3.25Å; H259-S392 PolarHBondContact N-O 3.28Å
393	H	98.9	Very high	97.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.			trans	-133.9	175.9	-170.8	-51.7	-89	0	0	0	111	H259 S304 R308 L326 E328 V396 M397	H259-H393 AromaticContact CD2-CE1 3.86Å; H259-H393 AromaticContact CD2-ND1 3.25Å; H259-H393 PolarHBondContact CD2-ND1 3.47Å; H259-H393 VanDerWaalsContact CD2-ND1 3.25Å; H259-H393 AromaticContact NE2-ND1 3.57Å; S304-H393 VanDerWaalsContact CB-NE2 3.3Å; S304-H393 WeakPolarHBondContact CB-NE2 3.45Å; S304-H393 PolarHBondContact OG-NE2 2.82Å; R308-H393 PolarHBondContact NE-CE1 3.34Å; R308-H393 PolarHBondContact NE-ND1 3Å; R308-H393 PolarHBondContact NH2-CE1 3.36Å; R308-H393 PolarHBondContact NH2-ND1 3.15Å; L326-H393 PolarHBondContact O-CD2 2.96Å; E328-H393 HydrophobicContact CB-CB 3.73Å; E328-H393 HydrophobicContact CG-CB 3.88Å; E328-H393 PolarHBondContact N-CD2 3.43Å; E328-H393 VanDerWaalsContact N-CD2 3.32Å; E328-H393 WeakPolarHBondContact OE1-CB 3.35Å; E328-H393 WeakPolarHBondContact OE2-CB 3.25Å; H393-V396 HydrophobicContact CB-CG2 4.49Å; H393-M397 WeakPolarHBondContact O-CB 3.42Å; H393-M397 PolarHBondContact O-N 2.91Å
394	Q	98.7	Very high	97.6	Very high	17 Å²	17	12.5 Å²	12.5	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-66.7	-49.2	-171.1	-173	171.6	-103.4	0	0	112.1	E328 R398 T446	E328-Q394 PolarHBondContact OE2-N 3.26Å; Q394-R398 WeakPolarHBondContact O-CG 2.83Å; Q394-R398 PolarHBondContact O-N 2.94Å; Q394-T446 PolarHBondContact NE2-O 3.19Å; Q394-T446 VanDerWaalsContact NE2-O 3.12Å; Q394-T446 PolarHBondContact OE1-O 2.67Å; Q394-T446 PolarHBondContact OE1-OG1 2.7Å
395	A	98.7	Very high	97.8	Very high	3 Å²	3	9 Å²	9	3%	0.025	6%	0.055	C	C	.	.	H	α-helix	trans	-72.6	-39	-178.2	0	0	0	0	0	111.6	E328 I329 Y368 L371 R398 C399	E328-A395 WeakPolarHBondContact OE1-CB 3.2Å; E328-A395 PolarHBondContact OE1-N 3.27Å; E328-A395 VanDerWaalsContact OE1-N 3.11Å; E328-A395 PolarHBondContact OE2-N 3.07Å; E328-A395 VanDerWaalsContact OE2-N 3.16Å; I329-A395 HydrophobicContact CB-CB 3.83Å; I329-A395 HydrophobicContact CG2-CB 3.59Å; Y368-A395 HydrophobicContact CE1-CB 3.64Å; L371-A395 HydrophobicContact CD2-CB 3.79Å; A395-R398 WeakPolarHBondContact O-CB 3.47Å; A395-R398 PolarHBondContact O-N 3.45Å; A395-C399 PolarHBondContact O-N 3.06Å; A395-C399 PolarHBondContact O-SG 3.36Å
396	V	98.9	Very high	98	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59	-52	175.6	174.4	0	0	0	0	111.3	L326 N327 E328 L371 L375 H393 R398 C399 L400	L326-V396 HydrophobicContact CD2-CG1 3.79Å; N327-V396 WeakPolarHBondContact O-CG2 3.46Å; E328-V396 PolarHBondContact OE1-N 3.03Å; L371-V396 HydrophobicContact CD1-CG2 4.1Å; L371-V396 HydrophobicContact CD2-CG2 4.37Å; L375-V396 HydrophobicContact CD1-CG1 4.04Å; L375-V396 HydrophobicContact CD2-CG1 3.96Å; H393-V396 HydrophobicContact CB-CG2 4.49Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 3.42Å; V396-C399 WeakPolarHBondContact O-CB 3.36Å; V396-C399 PolarHBondContact O-N 3.35Å; V396-C399 VanDerWaalsContact O-N 3.09Å; V396-L400 HydrophobicContact CG1-CD1 4.24Å; V396-L400 HydrophobicContact CG1-CG 4.5Å; V396-L400 WeakPolarHBondContact O-CG 3.47Å; V396-L400 PolarHBondContact O-N 3.1Å
397	M	98.8	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.5	-34.7	-178.3	-174.8	173	172.9	0	0	112.1	L256 R258 H393 L400 L401 C417 F423	L256-M397 HydrophobicContact CB-CE 3.81Å; L256-M397 HydrophobicContact CB-CG 4.34Å; L256-M397 HydrophobicContact CB-SD 4.47Å; L256-M397 VanDerWaalsContact O-CE 3.31Å; L256-M397 WeakPolarHBondContact O-CE 3.45Å; R258-M397 HydrophobicContact CG-SD 3.89Å; H393-M397 WeakPolarHBondContact O-CB 3.42Å; H393-M397 PolarHBondContact O-N 2.91Å; M397-L400 PolarHBondContact O-N 3Å; M397-L401 HydrophobicContact CE-CD1 4.05Å; M397-L401 HydrophobicContact CG-CD1 4.03Å; M397-L401 HydrophobicContact CG-CG 4.41Å; M397-L401 WeakPolarHBondContact O-CB 3.45Å; M397-L401 WeakPolarHBondContact O-CG 3.27Å; M397-L401 PolarHBondContact O-N 3.36Å; M397-C417 HydrophobicContact CE-CB 4.38Å; M397-C417 HydrophobicContact CG-CB 4.22Å; M397-C417 HydrophobicContact SD-CB 3.95Å; M397-F423 HydrophobicContact CE-CB 3.97Å; M397-F423 HydrophobicContact CE-CD2 3.15Å; M397-F423 HydrophobicContact CE-CE2 3.71Å; M397-F423 HydrophobicContact CE-CG 3.66Å
398	R	98.8	Very high	98	Very high	3 Å²	3	14 Å²	14	1%	0.011	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-46.6	171.2	-75.8	174.5	168.8	147.7	2.5	112	Y368 Q394 A395 V396 L401 A402 L412 P413 L415 H447	Y368-R398 HydrophobicContact CE1-CB 4.39Å; Y368-R398 PolarHBondContact OH-NH1 2.95Å; Y368-R398 VanDerWaalsContact OH-NH1 3.1Å; Q394-R398 WeakPolarHBondContact O-CG 2.83Å; Q394-R398 PolarHBondContact O-N 2.94Å; A395-R398 WeakPolarHBondContact O-CB 3.47Å; A395-R398 PolarHBondContact O-N 3.45Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 3.42Å; R398-L401 PolarHBondContact O-N 3.34Å; R398-A402 VanDerWaalsContact O-CB 3.31Å; R398-A402 WeakPolarHBondContact O-CB 3.47Å; R398-A402 PolarHBondContact O-N 3.47Å; R398-L412 WeakPolarHBondContact CB-O 3.29Å; R398-P413 VanDerWaalsContact CZ-O 3.32Å; R398-P413 PolarHBondContact NE-O 3.36Å; R398-P413 PolarHBondContact NH1-O 3.33Å; R398-L415 HydrophobicContact CG-CB 4.08Å; R398-L415 PolarHBondContact NE-O 3.11Å; R398-L415 PolarHBondContact NH2-O 3.5Å; R398-H447 PolarHBondContact NH2-CE1 3.07Å; R398-H447 PolarHBondContact NH2-ND1 3.32Å; R398-H447 VanDerWaalsContact NH2-ND1 3.12Å
399	C	98.8	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-44.8	177.5	-67.5	0	0	0	0	111.9	W66 V372 L375 A395 V396 A402 Y403	W66-C399 HydrophobicContact CZ2-CB 4.33Å; W66-C399 PolarHBondContact NE1-O 3Å; V372-C399 HydrophobicContact CG2-CB 4.46Å; L375-C399 HydrophobicContact CD1-CB 3.54Å; A395-C399 PolarHBondContact O-N 3.06Å; A395-C399 PolarHBondContact O-SG 3.36Å; V396-C399 WeakPolarHBondContact O-CB 3.36Å; V396-C399 PolarHBondContact O-N 3.35Å; V396-C399 VanDerWaalsContact O-N 3.09Å; C399-A402 PolarHBondContact O-N 3.31Å; C399-Y403 PolarHBondContact O-N 3.5Å; C399-Y403 VanDerWaalsContact O-N 3.16Å
400	L	98.7	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-46	178.2	-61.4	179.6	0	0	0	111.5	L256 L326 L375 V378 I379 L382 V390 V396 M397 A402 Y403 F404	L256-L400 HydrophobicContact CD1-CB 3.99Å; L256-L400 HydrophobicContact CD2-CD1 4.2Å; L326-L400 HydrophobicContact CD2-CD1 4.41Å; L375-L400 HydrophobicContact CD1-CD2 4.41Å; V378-L400 HydrophobicContact CG1-CD2 4.19Å; I379-L400 HydrophobicContact CD1-CD2 3.57Å; I379-L400 HydrophobicContact CG1-CD2 4.38Å; L382-L400 HydrophobicContact CD1-CD2 4.36Å; V390-L400 HydrophobicContact CG1-CD1 4.14Å; V396-L400 HydrophobicContact CG1-CD1 4.24Å; V396-L400 HydrophobicContact CG1-CG 4.5Å; V396-L400 WeakPolarHBondContact O-CG 3.47Å; V396-L400 PolarHBondContact O-N 3.1Å; M397-L400 PolarHBondContact O-N 3Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.45Å; L400-Y403 WeakPolarHBondContact O-CB 3.45Å; L400-Y403 PolarHBondContact O-N 2.96Å; L400-F404 WeakPolarHBondContact O-CD2 3.43Å; L400-F404 PolarHBondContact O-N 3.15Å
401	L	98.4	Very high	97.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-41.1	176.1	-78.2	169.6	0	0	0	111.8	L256 M397 R398 Y403 F404 L405 L415 C417 F423 L425	L256-L401 HydrophobicContact CD1-CD2 3.91Å; L256-L401 HydrophobicContact CD1-CG 3.96Å; M397-L401 HydrophobicContact CE-CD1 4.05Å; M397-L401 HydrophobicContact CG-CD1 4.03Å; M397-L401 HydrophobicContact CG-CG 4.41Å; M397-L401 WeakPolarHBondContact O-CB 3.45Å; M397-L401 WeakPolarHBondContact O-CG 3.27Å; M397-L401 PolarHBondContact O-N 3.36Å; R398-L401 PolarHBondContact O-N 3.34Å; L401-Y403 PolarHBondContact O-N 3.44Å; L401-F404 PolarHBondContact O-N 3.36Å; L401-F404 VanDerWaalsContact O-N 3.17Å; L401-L405 HydrophobicContact CB-CD1 4.46Å; L401-L405 HydrophobicContact CD2-CD1 4.17Å; L401-L405 VanDerWaalsContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 2.91Å; L401-L415 HydrophobicContact CB-CD1 4.19Å; L401-C417 WeakPolarHBondContact CD1-SG 3.47Å; L401-F423 HydrophobicContact CD1-CD1 4.01Å; L401-F423 HydrophobicContact CD1-CE1 4.1Å; L401-F423 HydrophobicContact CD1-CG 4.4Å; L401-F423 HydrophobicContact CD2-CB 4.31Å; L401-F423 HydrophobicContact CD2-CD1 3.89Å; L401-F423 HydrophobicContact CD2-CG 4.34Å; L401-L425 HydrophobicContact CD2-CD1 4.3Å; L401-L425 HydrophobicContact CD2-CD2 4.04Å
402	A	98.2	Very high	97.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-36	177.8	0	0	0	0	0	112.3	R398 C399 L400 D406 K407 L412 L415	R398-A402 VanDerWaalsContact O-CB 3.31Å; R398-A402 WeakPolarHBondContact O-CB 3.47Å; R398-A402 PolarHBondContact O-N 3.47Å; C399-A402 PolarHBondContact O-N 3.31Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.45Å; A402-D406 WeakPolarHBondContact O-CA 3.12Å; A402-D406 PolarHBondContact O-N 3.02Å; A402-K407 HydrophobicContact CB-CB 3.97Å; A402-K407 PolarHBondContact O-N 3.28Å; A402-L412 HydrophobicContact CB-CB 3.79Å; A402-L412 HydrophobicContact CB-CD1 3.53Å; A402-L412 HydrophobicContact CB-CG 3.5Å; A402-L412 VanDerWaalsContact CB-CG 3.5Å; A402-L415 HydrophobicContact CB-CD1 3.85Å
403	Y	97.9	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-53.5	171.7	173.7	-99.3	0	0	0	111.9	R62 Y63 W66 Y243 I379 E383 C399 L400 L401 L405	R62-Y403 WeakPolarHBondContact CD-O 3.35Å; R62-Y403 WeakPolarHBondContact CG-O 3.46Å; R62-Y403 PolarHBondContact NE-O 3.19Å; Y63-Y403 HydrophobicContact CD2-CE2 4.23Å; W66-Y403 HydrophobicContact CB-CD2 3.99Å; W66-Y403 VanDerWaalsContact CD1-CA 3.5Å; W66-Y403 AromaticContact CD2-CD2 3.99Å; W66-Y403 HydrophobicContact CD2-CD2 3.99Å; W66-Y403 HydrophobicContact CD2-CG 4.45Å; W66-Y403 HydrophobicContact CE3-CD2 4.3Å; W66-Y403 AromaticContact CG-CD2 3.85Å; W66-Y403 HydrophobicContact CG-CD2 3.85Å; W66-Y403 HydrophobicContact CG-CG 4.4Å; Y243-Y403 PolarHBondContact OH-OH 3.49Å; I379-Y403 HydrophobicContact CD1-CD1 3.69Å; I379-Y403 HydrophobicContact CD1-CE1 4.38Å; I379-Y403 HydrophobicContact CD1-CG 3.77Å; I379-Y403 HydrophobicContact CG1-CD1 4.47Å; I379-Y403 HydrophobicContact CG1-CG 4.28Å; I379-Y403 HydrophobicContact CG2-CD1 3.85Å; I379-Y403 HydrophobicContact CG2-CD2 3.87Å; I379-Y403 HydrophobicContact CG2-CE1 3.54Å; I379-Y403 HydrophobicContact CG2-CE2 3.56Å; I379-Y403 HydrophobicContact CG2-CG 4Å; E383-Y403 HydrophobicContact CG-CE1 4.41Å; E383-Y403 WeakPolarHBondContact CG-OH 3.41Å; E383-Y403 VanDerWaalsContact OE1-CE1 3.27Å; E383-Y403 WeakPolarHBondContact OE1-CE1 3.3Å; E383-Y403 VanDerWaalsContact OE1-CZ 3.3Å; E383-Y403 PolarHBondContact OE1-OH 2.78Å; C399-Y403 PolarHBondContact O-N 3.5Å; C399-Y403 VanDerWaalsContact O-N 3.16Å; L400-Y403 WeakPolarHBondContact O-CB 3.45Å; L400-Y403 PolarHBondContact O-N 2.96Å; L401-Y403 PolarHBondContact O-N 3.44Å; Y403-L405 VanDerWaalsContact C-N 3.3Å; Y403-L405 PolarHBondContact O-N 3.05Å
404	F	96.5	Very high	97.2	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-27.7	-175.2	-71.3	-69.1	0	0	0	113.4	R62 I254 I379 L382 L400 L401 L425 C432	R62-F404 PolarHBondContact NH1-O 2.86Å; I254-F404 HydrophobicContact CD1-CD1 4.42Å; I254-F404 HydrophobicContact CD1-CE1 3.55Å; I254-F404 HydrophobicContact CD1-CE2 4.29Å; I254-F404 HydrophobicContact CD1-CZ 3.49Å; I254-F404 VanDerWaalsContact CD1-CZ 3.49Å; I379-F404 HydrophobicContact CD1-CE2 4.43Å; L382-F404 HydrophobicContact CB-CZ 4.04Å; L382-F404 HydrophobicContact CD1-CE2 3.82Å; L382-F404 HydrophobicContact CD1-CZ 3.89Å; L400-F404 WeakPolarHBondContact O-CD2 3.43Å; L400-F404 PolarHBondContact O-N 3.15Å; L401-F404 PolarHBondContact O-N 3.36Å; L401-F404 VanDerWaalsContact O-N 3.17Å; F404-L425 HydrophobicContact CB-CD1 3.89Å; F404-L425 HydrophobicContact CD2-CD1 3.56Å; F404-L425 HydrophobicContact CE2-CD1 4.29Å; F404-L425 HydrophobicContact CG-CD1 3.77Å; F404-C432 HydrophobicContact CB-CB 4.44Å; F404-C432 VanDerWaalsContact O-CB 3.31Å; F404-C432 WeakPolarHBondContact O-CB 3.35Å
405	L	96.1	Very high	97.2	Very high	51 Å²	51	29.2 Å²	29.2	27%	0.267	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5.9	-176.5	-52.5	-173.7	0	0	0	114	L401 Y403 K407 L425 C432 V434	L401-L405 HydrophobicContact CB-CD1 4.46Å; L401-L405 HydrophobicContact CD2-CD1 4.17Å; L401-L405 VanDerWaalsContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.41Å; L401-L405 PolarHBondContact O-N 2.91Å; Y403-L405 VanDerWaalsContact C-N 3.3Å; Y403-L405 PolarHBondContact O-N 3.05Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 HydrophobicContact CB-CG 3.94Å; L405-K407 PolarHBondContact O-N 3.08Å; L405-L425 HydrophobicContact CD2-CD2 4.43Å; L405-C432 HydrophobicContact CD2-CB 4.23Å; L405-V434 HydrophobicContact CD1-CG2 3.99Å; L405-V434 HydrophobicContact CD2-CG2 3.13Å; L405-V434 HydrophobicContact CG-CG2 4.17Å
406	D	96.4	Very high	97.1	Very high	101 Å²	101	35.5 Å²	35.5	54%	0.54	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	49.7	178.9	-162.4	28.3	0	0	0	112.2	R62 A402	R62-D406 HydrophobicContact CG-CB 4.03Å; R62-D406 WeakPolarHBondContact CG-OD1 3.37Å; A402-D406 WeakPolarHBondContact O-CA 3.12Å; A402-D406 PolarHBondContact O-N 3.02Å
407	K	97.1	Very high	97.1	Very high	72 Å²	72	35.6 Å²	35.6	31%	0.313	19%	0.185	S	C	.	.			trans	-97.4	131.7	-179.5	-60.9	-59.8	-162.3	163.1	0	110.9	A402 L405 E411 L415	A402-K407 HydrophobicContact CB-CB 3.97Å; A402-K407 PolarHBondContact O-N 3.28Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 HydrophobicContact CB-CG 3.94Å; L405-K407 PolarHBondContact O-N 3.08Å; K407-E411 HydrophobicContact CB-CB 4.41Å; K407-E411 IonicContact NZ-OE1 2.6Å; K407-E411 PolarHBondContact NZ-OE1 2.81Å; K407-E411 IonicContact NZ-OE2 3.08Å; K407-L415 HydrophobicContact CB-CD1 4.24Å; K407-L415 HydrophobicContact CG-CD1 4.25Å; K407-L415 HydrophobicContact CG-CD2 4.04Å
408	G	94	Very high	97	Very high	39 Å²	39	37.7 Å²	37.7	40%	0.402	20%	0.199	S	C	.	.			trans	-68.7	166.2	-179.2	0	0	0	0	0	113.4	D410 E411 L412	G408-D410 PolarHBondContact O-N 2.84Å; G408-D410 VanDerWaalsContact O-N 3.16Å; G408-E411 PolarHBondContact O-N 3.32Å; G408-E411 VanDerWaalsContact O-N 3.12Å; G408-L412 WeakPolarHBondContact O-CB 3.41Å; G408-L412 PolarHBondContact O-N 3.3Å
409	A	93.4	Very high	97	Very high	39 Å²	39	38.1 Å²	38.1	32%	0.322	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.4	179.2	0	0	0	0	0	113.6	Y358 P413	Y358-A409 WeakPolarHBondContact CB-O 3.37Å; Y358-A409 HydrophobicContact CD1-CB 3.66Å; Y358-A409 HydrophobicContact CD2-CB 4.06Å; Y358-A409 HydrophobicContact CE1-CB 3.67Å; Y358-A409 HydrophobicContact CE2-CB 4.11Å; Y358-A409 HydrophobicContact CG-CB 3.85Å; A409-P413 WeakPolarHBondContact O-CD 3.38Å
410	D	92.6	Very high	97	Very high	129 Å²	129	38.2 Å²	38.2	69%	0.69	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-34.2	-180	-63.1	-23.1	0	0	0	112.9	G408 Y414	G408-D410 PolarHBondContact O-N 2.84Å; G408-D410 VanDerWaalsContact O-N 3.16Å; D410-Y414 WeakPolarHBondContact O-CD2 3.49Å
411	E	95.7	Very high	97	Very high	97 Å²	97	39.8 Å²	39.8	45%	0.453	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-35.1	179.3	-74	178.4	80.6	0	0	112	K407 G408 Y414 L415	K407-E411 HydrophobicContact CB-CB 4.41Å; K407-E411 IonicContact NZ-OE1 2.6Å; K407-E411 PolarHBondContact NZ-OE1 2.81Å; K407-E411 IonicContact NZ-OE2 3.08Å; G408-E411 PolarHBondContact O-N 3.32Å; G408-E411 VanDerWaalsContact O-N 3.12Å; E411-Y414 CarbonylContact O-C 3.59Å; E411-Y414 WeakPolarHBondContact O-CA 3.36Å; E411-Y414 PolarHBondContact O-N 2.9Å; E411-L415 PolarHBondContact O-N 3.25Å
412	L	97.6	Very high	97	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-50.2	-50.6	-170.9	175.8	169.5	0	0	0	113.5	Y358 Y368 V372 R398 A402 G408 Y414 L415	Y358-L412 HydrophobicContact CD2-CD2 4.42Å; Y358-L412 HydrophobicContact CE2-CD1 4.15Å; Y368-L412 HydrophobicContact CD1-CD2 3.34Å; Y368-L412 HydrophobicContact CE1-CD2 3.91Å; Y368-L412 HydrophobicContact CG-CD2 4.05Å; V372-L412 HydrophobicContact CG2-CD1 4.09Å; R398-L412 WeakPolarHBondContact CB-O 3.29Å; A402-L412 HydrophobicContact CB-CB 3.79Å; A402-L412 HydrophobicContact CB-CD1 3.53Å; A402-L412 HydrophobicContact CB-CG 3.5Å; A402-L412 VanDerWaalsContact CB-CG 3.5Å; G408-L412 WeakPolarHBondContact O-CB 3.41Å; G408-L412 PolarHBondContact O-N 3.3Å; L412-Y414 PolarHBondContact O-N 2.86Å; L412-L415 PolarHBondContact O-N 3.29Å
413	P	98.3	Very high	97	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.7	-6.5	-179.4	-23.4	35.6	0	0	0	115.4	K357 Y358 Y368 R398 A409	K357-P413 HydrophobicContact CB-CB 4.14Å; K357-P413 HydrophobicContact CB-CG 4.47Å; K357-P413 HydrophobicContact CD-CB 3.73Å; K357-P413 HydrophobicContact CG-CB 3.82Å; K357-P413 PolarHBondContact NZ-O 2.71Å; Y358-P413 HydrophobicContact CD2-CG 4.18Å; Y368-P413 HydrophobicContact CD1-CG 4.5Å; Y368-P413 HydrophobicContact CD2-CB 3.95Å; Y368-P413 HydrophobicContact CD2-CG 4.02Å; Y368-P413 HydrophobicContact CE1-CB 4.39Å; Y368-P413 HydrophobicContact CE2-CB 3.76Å; Y368-P413 HydrophobicContact CE2-CG 4.34Å; Y368-P413 HydrophobicContact CG-CB 4.36Å; Y368-P413 HydrophobicContact CG-CG 4.1Å; R398-P413 VanDerWaalsContact CZ-O 3.32Å; R398-P413 PolarHBondContact NE-O 3.36Å; R398-P413 PolarHBondContact NH1-O 3.33Å; A409-P413 WeakPolarHBondContact O-CD 3.38Å
414	Y	97.8	Very high	97.1	Very high	39 Å²	39	42.4 Å²	42.4	15%	0.153	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-121.5	5.1	-175.5	-55.4	-80.5	0	0	0	113	K357 D410 E411 L412 R416 H447 K450	K357-Y414 HydrophobicContact CB-CE2 4.28Å; K357-Y414 WeakPolarHBondContact CB-OH 3.47Å; K357-Y414 HydrophobicContact CD-CD1 4.19Å; K357-Y414 HydrophobicContact CD-CE1 3.45Å; K357-Y414 VanDerWaalsContact CD-CE1 3.45Å; K357-Y414 HydrophobicContact CD-CE2 4.09Å; K357-Y414 VanDerWaalsContact CD-CZ 3.42Å; D410-Y414 WeakPolarHBondContact O-CD2 3.49Å; E411-Y414 CarbonylContact O-C 3.59Å; E411-Y414 WeakPolarHBondContact O-CA 3.36Å; E411-Y414 PolarHBondContact O-N 2.9Å; L412-Y414 PolarHBondContact O-N 2.86Å; Y414-R416 PolarHBondContact O-N 2.97Å; Y414-H447 PolarHBondContact O-CE1 3.38Å; Y414-H447 VanDerWaalsContact O-CE1 3.29Å; Y414-K450 HydrophobicContact CD1-CB 3.77Å; Y414-K450 HydrophobicContact CE1-CB 3.5Å; Y414-K450 HydrophobicContact CE1-CD 4.38Å; Y414-K450 HydrophobicContact CE1-CG 3.83Å; Y414-K450 HydrophobicContact CE2-CD 4.01Å; Y414-K450 HydrophobicContact CE2-CG 4.33Å; Y414-K450 HydrophobicContact CG-CB 4.38Å
415	L	97.9	Very high	97.1	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.147	22%	0.22	C	C	.	.			trans	-58.4	137.4	170.1	-65	173.4	0	0	0	110.1	R398 L401 A402 K407 E411 L412	R398-L415 HydrophobicContact CG-CB 4.08Å; R398-L415 PolarHBondContact NE-O 3.11Å; R398-L415 PolarHBondContact NH2-O 3.5Å; L401-L415 HydrophobicContact CB-CD1 4.19Å; A402-L415 HydrophobicContact CB-CD1 3.85Å; K407-L415 HydrophobicContact CB-CD1 4.24Å; K407-L415 HydrophobicContact CG-CD1 4.25Å; K407-L415 HydrophobicContact CG-CD2 4.04Å; E411-L415 PolarHBondContact O-N 3.25Å; L412-L415 PolarHBondContact O-N 3.29Å
416	R	97.9	Very high	97	Very high	136 Å²	136	42.2 Å²	42.2	51%	0.513	22%	0.222	S	C	.	.			trans	-82.6	119.3	178.2	-77.1	-172.9	171.8	-133.4	-1.6	109.4	Y414 F423 H447 D449	Y414-R416 PolarHBondContact O-N 2.97Å; R416-F423 WeakPolarHBondContact O-CZ 3.3Å; R416-H447 VanDerWaalsContact CG-CE1 3.43Å; R416-H447 WeakPolarHBondContact CG-CE1 3.37Å; R416-D449 IonicContact CZ-OD1 3.45Å; R416-D449 IonicContact NE-OD1 3.04Å; R416-D449 IonicContact NH2-OD1 2.78Å; R416-D449 PolarHBondContact NH2-OD1 2.92Å; R416-D449 IonicContact NH2-OD2 3.28Å; R416-D449 PolarHBondContact NH2-OD2 3.19Å
417	C	97.6	Very high	96.6	Very high	2 Å²	2	39 Å²	39	1%	0.014	21%	0.206	C	C	.	.			trans	-131.5	75.1	175.9	-49.4	0	0	0	0	108.2	R258 M397 L401	R258-C417 WeakPolarHBondContact CD-O 3.41Å; R258-C417 PolarHBondContact NH1-O 3.15Å; M397-C417 HydrophobicContact CE-CB 4.38Å; M397-C417 HydrophobicContact CG-CB 4.22Å; M397-C417 HydrophobicContact SD-CB 3.95Å; L401-C417 WeakPolarHBondContact CD1-SG 3.47Å
418	P	98.3	Very high	95.9	Very high	44 Å²	44	37.8 Å²	37.8	29%	0.286	21%	0.205	S	C	.	.			trans	-62.3	158.8	-176.1	-21.8	35.6	0	0	0	111.9	I421	P418-I421 HydrophobicContact CB-CD1 3.77Å; P418-I421 HydrophobicContact CB-CG1 4.27Å; P418-I421 HydrophobicContact CG-CD1 3.85Å
419	L	98.6	Very high	94.7	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	152.4	167.4	-75.4	169.3	0	0	0	109.8	R258 H259 E261 N265 I421 A443 V444 T446	R258-L419 HydrophobicContact CB-CD2 4.15Å; R258-L419 VanDerWaalsContact CZ-CD2 3.47Å; H259-L419 WeakPolarHBondContact O-CD2 3.37Å; E261-L419 HydrophobicContact CB-CD1 4.13Å; E261-L419 HydrophobicContact CG-CD1 4.19Å; N265-L419 HydrophobicContact CB-CD1 4.24Å; L419-I421 PolarHBondContact O-N 3.04Å; L419-I421 VanDerWaalsContact O-N 3.15Å; L419-A443 HydrophobicContact CB-CB 3.47Å; L419-A443 VanDerWaalsContact CB-CB 3.47Å; L419-A443 HydrophobicContact CD1-CB 3.97Å; L419-A443 HydrophobicContact CG-CB 4.36Å; L419-V444 HydrophobicContact CD1-CG2 4.25Å; L419-T446 HydrophobicContact CD1-CG2 4.27Å
420	H	98.5	Very high	93.7	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.014	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	16.7	172.1	-53.7	174.5	0	0	0	116.7	E261 F283 L439 V441 D442	E261-H420 PolarHBondContact N-NE2 2.86Å; F283-H420 VanDerWaalsContact CB-CD2 3.41Å; F283-H420 WeakPolarHBondContact CB-CD2 3.37Å; F283-H420 WeakPolarHBondContact CB-NE2 3.17Å; F283-H420 AromaticContact CD1-CD2 3.79Å; F283-H420 VanDerWaalsContact CD2-CA 3.48Å; F283-H420 HydrophobicContact CD2-CB 3.54Å; F283-H420 AromaticContact CD2-CD2 3.66Å; F283-H420 AromaticContact CD2-CG 3.64Å; F283-H420 HydrophobicContact CE2-CB 3.99Å; F283-H420 HydrophobicContact CG-CB 4.15Å; F283-H420 AromaticContact CG-CD2 3.3Å; F283-H420 WeakPolarHBondContact CG-CD2 3.39Å; F283-H420 AromaticContact CG-CG 3.72Å; F283-H420 AromaticContact CG-NE2 3.87Å; H420-L439 PolarHBondContact O-N 3.5Å; H420-V441 PolarHBondContact ND1-O 3.15Å; H420-D442 PolarHBondContact CE1-O 3.41Å; H420-D442 PolarHBondContact ND1-O 3.27Å
421	I	98.4	Very high	93.3	Very high	32 Å²	32	34.4 Å²	34.4	16%	0.164	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.6	173.7	-59.1	-175.6	0	0	0	109.6	P418 L419 F423 I437 T438	P418-I421 HydrophobicContact CB-CD1 3.77Å; P418-I421 HydrophobicContact CB-CG1 4.27Å; P418-I421 HydrophobicContact CG-CD1 3.85Å; L419-I421 PolarHBondContact O-N 3.04Å; L419-I421 VanDerWaalsContact O-N 3.15Å; I421-F423 HydrophobicContact CB-CE2 4.43Å; I421-F423 HydrophobicContact CG2-CD2 4.17Å; I421-F423 HydrophobicContact CG2-CE2 3.91Å; I421-I437 WeakPolarHBondContact CA-O 3.44Å; I421-T438 HydrophobicContact CG1-CG2 4.44Å
422	I	98.7	Very high	93.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.5	172.3	-51.4	172.6	0	0	0	108.7	Y255 C257 L287 F290 T436 I437 L439	Y255-I422 HydrophobicContact CD1-CG2 3.84Å; C257-I422 HydrophobicContact CB-CG1 4.42Å; L287-I422 HydrophobicContact CD1-CD1 3.5Å; L287-I422 VanDerWaalsContact CD1-CD1 3.5Å; L287-I422 HydrophobicContact CD1-CG1 4.06Å; F290-I422 HydrophobicContact CD1-CD1 3.29Å; F290-I422 HydrophobicContact CD2-CD1 4.3Å; F290-I422 HydrophobicContact CE1-CD1 3.39Å; F290-I422 HydrophobicContact CE2-CD1 4.38Å; F290-I422 HydrophobicContact CG-CD1 3.77Å; F290-I422 HydrophobicContact CZ-CD1 3.95Å; I422-T436 WeakPolarHBondContact O-CA 3.43Å; I422-I437 HydrophobicContact CB-CB 4.31Å; I422-I437 PolarHBondContact N-O 3.28Å; I422-I437 PolarHBondContact O-N 3.15Å; I422-L439 HydrophobicContact CD1-CD1 3.99Å; I422-L439 HydrophobicContact CD1-CD2 3.9Å; I422-L439 HydrophobicContact CD1-CG 4.13Å; I422-L439 HydrophobicContact CG1-CD1 4.39Å; I422-L439 HydrophobicContact CG1-CG 4.4Å
423	F	98.7	Very high	92.9	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.8	169.6	-74.6	-114.2	0	0	0	107.8	Y255 L256 M397 L401 R416 I421 V434 T436	Y255-F423 WeakPolarHBondContact CA-O 3.27Å; L256-F423 HydrophobicContact CB-CB 4.32Å; L256-F423 PolarHBondContact N-O 3.45Å; L256-F423 PolarHBondContact O-N 3.39Å; M397-F423 HydrophobicContact CE-CB 3.97Å; M397-F423 HydrophobicContact CE-CD2 3.15Å; M397-F423 HydrophobicContact CE-CE2 3.71Å; M397-F423 HydrophobicContact CE-CG 3.66Å; L401-F423 HydrophobicContact CD1-CD1 4.01Å; L401-F423 HydrophobicContact CD1-CE1 4.1Å; L401-F423 HydrophobicContact CD1-CG 4.4Å; L401-F423 HydrophobicContact CD2-CB 4.31Å; L401-F423 HydrophobicContact CD2-CD1 3.89Å; L401-F423 HydrophobicContact CD2-CG 4.34Å; R416-F423 WeakPolarHBondContact O-CZ 3.3Å; I421-F423 HydrophobicContact CB-CE2 4.43Å; I421-F423 HydrophobicContact CG2-CD2 4.17Å; I421-F423 HydrophobicContact CG2-CE2 3.91Å; F423-V434 HydrophobicContact CD1-CG1 3.77Å; F423-T436 HydrophobicContact CD1-CG2 4.03Å; F423-T436 HydrophobicContact CE1-CG2 3.81Å; F423-T436 HydrophobicContact CE2-CG2 4.46Å; F423-T436 HydrophobicContact CG-CG2 4.46Å; F423-T436 HydrophobicContact CZ-CG2 4.04Å
424	K	98.4	Very high	92.8	Very high	41 Å²	41	40.1 Å²	40.1	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.8	174.4	179.5	-178	176.5	-176.9	0	108.7	T253 Y255 V434 E435 I437	T253-K424 HydrophobicContact CG2-CD 4.27Å; T253-K424 HydrophobicContact CG2-CG 3.5Å; Y255-K424 HydrophobicContact CD1-CB 4.11Å; Y255-K424 HydrophobicContact CD1-CG 4.18Å; Y255-K424 HydrophobicContact CE1-CB 4.08Å; Y255-K424 HydrophobicContact CE1-CD 3.94Å; Y255-K424 HydrophobicContact CE1-CG 3.73Å; K424-V434 WeakPolarHBondContact O-CA 3.05Å; K424-E435 HydrophobicContact CB-CB 4.24Å; K424-E435 PolarHBondContact N-O 2.94Å; K424-E435 IonicContact NZ-OE2 3.63Å; K424-E435 PolarHBondContact O-N 2.85Å; K424-I437 HydrophobicContact CB-CD1 4.16Å; K424-I437 HydrophobicContact CD-CD1 4.22Å
425	L	97.7	Very high	92.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122	-178.1	-58.6	-177	0	0	0	109.5	T253 I254 L256 L401 F404 L405 K433 V434	T253-L425 WeakPolarHBondContact CA-O 3.49Å; I254-L425 HydrophobicContact CB-CB 4.1Å; I254-L425 HydrophobicContact CG2-CD1 4.28Å; I254-L425 PolarHBondContact N-O 3.23Å; I254-L425 WeakPolarHBondContact O-CA 3.28Å; I254-L425 VanDerWaalsContact O-CB 3.31Å; I254-L425 WeakPolarHBondContact O-CB 3.48Å; I254-L425 PolarHBondContact O-N 2.9Å; L256-L425 HydrophobicContact CD1-CD1 3.62Å; L256-L425 HydrophobicContact CG-CD1 3.99Å; L401-L425 HydrophobicContact CD2-CD1 4.3Å; L401-L425 HydrophobicContact CD2-CD2 4.04Å; F404-L425 HydrophobicContact CB-CD1 3.89Å; F404-L425 HydrophobicContact CD2-CD1 3.56Å; F404-L425 HydrophobicContact CE2-CD1 4.29Å; F404-L425 HydrophobicContact CG-CD1 3.77Å; L405-L425 HydrophobicContact CD2-CD2 4.43Å; L425-K433 WeakPolarHBondContact CA-O 3.32Å; L425-V434 HydrophobicContact CD2-CB 4.27Å; L425-V434 HydrophobicContact CD2-CG1 4.02Å; L425-V434 HydrophobicContact CD2-CG2 3.69Å
426	T	93.9	Very high	92.8	Very high	50 Å²	50	46 Å²	46	31%	0.307	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	101.5	173.4	-50.2	0	0	0	0	108.6	V428 K433	T426-V428 PolarHBondContact O-N 3.21Å; T426-K433 PolarHBondContact N-O 2.92Å; T426-K433 PolarHBondContact O-N 3.32Å
427	P	86.6	Confident	92.8	Very high	32 Å²	32	41 Å²	41	21%	0.208	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	132.5	173.9	-24.4	34.9	0	0	0	110.6	R252	R252-P427 WeakPolarHBondContact O-CD 3.18Å
428	V	82.4	Confident	92.7	Very high	47 Å²	47	45.4 Å²	45.4	29%	0.285	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.9	176.1	-66.9	0	0	0	0	108.9	T426 Y430 G431 K433	T426-V428 PolarHBondContact O-N 3.21Å; V428-Y430 PolarHBondContact O-N 3.2Å; V428-G431 PolarHBondContact N-O 2.84Å; V428-G431 PolarHBondContact O-N 3.08Å; V428-K433 HydrophobicContact CG1-CD 3.99Å; V428-K433 HydrophobicContact CG1-CG 4.01Å; V428-K433 HydrophobicContact CG2-CG 4.41Å
429	A	69	Low	92.4	Very high	12 Å²	12	44.5 Å²	44.5	10%	0.099	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-29.2	-170	0	0	0	0	0	117.8	Y55 E172 V173	Y55-A429 VanDerWaalsContact CD2-O 3.22Å; Y55-A429 WeakPolarHBondContact CD2-O 3.22Å; E172-A429 HydrophobicContact CG-CB 4.43Å; E172-A429 WeakPolarHBondContact OE1-CB 3.35Å; E172-A429 PolarHBondContact OE1-N 3.4Å; V173-A429 HydrophobicContact CG1-CB 3.11Å
430	Y	73.1	Confident	92.2	Very high	97 Å²	97	51.2 Å²	51.2	38%	0.38	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	14.3	-179.3	-57.7	-57.6	0	0	0	114.3	T54 K58 V173 V428	T54-Y430 HydrophobicContact CG2-CD1 4.23Å; T54-Y430 HydrophobicContact CG2-CE1 3.58Å; K58-Y430 HydrophobicContact CD-CD1 3.9Å; V173-Y430 HydrophobicContact CB-CE2 4.06Å; V173-Y430 WeakPolarHBondContact CB-OH 3.43Å; V173-Y430 HydrophobicContact CG1-CE2 3.93Å; V428-Y430 PolarHBondContact O-N 3.2Å
431	G	84.3	Confident	92.1	Very high	27 Å²	27	52.2 Å²	52.2	28%	0.278	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-146	-177.9	0	0	0	0	0	113	V428	V428-G431 PolarHBondContact N-O 2.84Å; V428-G431 PolarHBondContact O-N 3.08Å
432	C	90.6	Very high	92.1	Very high	24 Å²	24	56.6 Å²	56.6	16%	0.162	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.1	178.4	-166.1	0	0	0	0	109.2	F404 L405	F404-C432 HydrophobicContact CB-CB 4.44Å; F404-C432 VanDerWaalsContact O-CB 3.31Å; F404-C432 WeakPolarHBondContact O-CB 3.35Å; L405-C432 HydrophobicContact CD2-CB 4.23Å
433	K	93.6	Very high	92	Very high	139 Å²	139	58.2 Å²	58.2	60%	0.604	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	143.6	167.5	-68	178.5	176.1	177.1	0	108.6	L425 T426 V428	L425-K433 WeakPolarHBondContact CA-O 3.32Å; T426-K433 PolarHBondContact N-O 2.92Å; T426-K433 PolarHBondContact O-N 3.32Å; V428-K433 HydrophobicContact CG1-CD 3.99Å; V428-K433 HydrophobicContact CG1-CG 4.01Å; V428-K433 HydrophobicContact CG2-CG 4.41Å
434	V	96.7	Very high	92	Very high	60 Å²	60	59.4 Å²	59.4	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.5	177.4	-171.4	0	0	0	0	108.7	L405 F423 K424 L425	L405-V434 HydrophobicContact CD1-CG2 3.99Å; L405-V434 HydrophobicContact CD2-CG2 3.13Å; L405-V434 HydrophobicContact CG-CG2 4.17Å; F423-V434 HydrophobicContact CD1-CG1 3.77Å; K424-V434 WeakPolarHBondContact O-CA 3.05Å; L425-V434 HydrophobicContact CD2-CB 4.27Å; L425-V434 HydrophobicContact CD2-CG1 4.02Å; L425-V434 HydrophobicContact CD2-CG2 3.69Å
435	E	97.9	Very high	92	Very high	103 Å²	103	62.7 Å²	62.7	48%	0.481	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	168.9	-178.7	-175.8	178.4	0	0	108.3	K424 I437	K424-E435 HydrophobicContact CB-CB 4.24Å; K424-E435 PolarHBondContact N-O 2.94Å; K424-E435 IonicContact NZ-OE2 3.63Å; K424-E435 PolarHBondContact O-N 2.85Å; E435-I437 HydrophobicContact CG-CG1 4.16Å
436	T	97.8	Very high	91.9	Very high	87 Å²	87	64.1 Å²	64.1	53%	0.534	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.7	178.1	52.9	0	0	0	0	109.8	I422 F423	I422-T436 WeakPolarHBondContact O-CA 3.43Å; F423-T436 HydrophobicContact CD1-CG2 4.03Å; F423-T436 HydrophobicContact CE1-CG2 3.81Å; F423-T436 HydrophobicContact CE2-CG2 4.46Å; F423-T436 HydrophobicContact CG-CG2 4.46Å; F423-T436 HydrophobicContact CZ-CG2 4.04Å
437	I	98.1	Very high	92.1	Very high	30 Å²	30	63 Å²	63	15%	0.154	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.8	-175.2	-56.7	163	0	0	0	108.3	F290 I421 I422 K424 E435 L439	F290-I437 HydrophobicContact CD2-CG2 4.25Å; F290-I437 HydrophobicContact CE2-CD1 3.78Å; F290-I437 HydrophobicContact CE2-CG2 3.88Å; F290-I437 HydrophobicContact CZ-CD1 3.67Å; I421-I437 WeakPolarHBondContact CA-O 3.44Å; I422-I437 HydrophobicContact CB-CB 4.31Å; I422-I437 PolarHBondContact N-O 3.28Å; I422-I437 PolarHBondContact O-N 3.15Å; K424-I437 HydrophobicContact CB-CD1 4.16Å; K424-I437 HydrophobicContact CD-CD1 4.22Å; E435-I437 HydrophobicContact CG-CG1 4.16Å; I437-L439 HydrophobicContact CG2-CD2 4.22Å
438	T	95.8	Very high	92.4	Very high	96 Å²	96	64.7 Å²	64.7	59%	0.589	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.9	-179.5	-55.5	0	0	0	0	110.1	I421 N440	I421-T438 HydrophobicContact CG1-CG2 4.44Å; T438-N440 VanDerWaalsContact C-N 3.33Å; T438-N440 PolarHBondContact O-N 2.78Å
439	L	92.2	Very high	93	Very high	24 Å²	24	66.8 Å²	66.8	13%	0.126	36%	0.361	C	S	.	.			trans	-91.2	19.5	-175	-58.6	-169.4	0	0	0	115.2	F283 A286 L287 F290 H420 I422 I437 V441	F283-L439 HydrophobicContact CD2-CB 4.28Å; F283-L439 HydrophobicContact CD2-CD1 3.86Å; F283-L439 HydrophobicContact CD2-CG 4.45Å; F283-L439 HydrophobicContact CE2-CB 4.39Å; F283-L439 HydrophobicContact CE2-CD1 3.46Å; F283-L439 VanDerWaalsContact CE2-CD1 3.46Å; F283-L439 HydrophobicContact CE2-CG 4.09Å; F283-L439 HydrophobicContact CZ-CD1 4.36Å; A286-L439 HydrophobicContact CB-CB 3.97Å; A286-L439 HydrophobicContact CB-CD1 4.15Å; L287-L439 VanDerWaalsContact CA-CD1 3.45Å; L287-L439 HydrophobicContact CB-CD1 3.83Å; L287-L439 HydrophobicContact CD1-CD1 4.14Å; F290-L439 HydrophobicContact CB-CD2 3.92Å; F290-L439 HydrophobicContact CD2-CD2 4.16Å; F290-L439 HydrophobicContact CG-CD2 4.08Å; H420-L439 PolarHBondContact O-N 3.5Å; I422-L439 HydrophobicContact CD1-CD1 3.99Å; I422-L439 HydrophobicContact CD1-CD2 3.9Å; I422-L439 HydrophobicContact CD1-CG 4.13Å; I422-L439 HydrophobicContact CG1-CD1 4.39Å; I422-L439 HydrophobicContact CG1-CG 4.4Å; I437-L439 HydrophobicContact CG2-CD2 4.22Å; L439-V441 VanDerWaalsContact C-N 3.3Å; L439-V441 PolarHBondContact O-N 3.23Å
440	N	92.9	Very high	93.8	Very high	153 Å²	153	71.9 Å²	71.9	82%	0.818	38%	0.381	S	S	*	.	S	Bend	trans	50.5	42.2	178	-160.1	38.2	0	0	0	114.9	T438	T438-N440 VanDerWaalsContact C-N 3.33Å; T438-N440 PolarHBondContact O-N 2.78Å
441	V	97.4	Very high	94.4	Very high	24 Å²	24	69.9 Å²	69.9	15%	0.145	38%	0.38	C	S	.	.			trans	-125.6	121.2	170	-178.7	0	0	0	0	107.7	R279 Q282 F283 A286 H420 L439	R279-V441 HydrophobicContact CB-CG1 4.22Å; R279-V441 WeakPolarHBondContact O-CG1 3.45Å; Q282-V441 HydrophobicContact CB-CG1 3.94Å; Q282-V441 HydrophobicContact CB-CG2 4.29Å; F283-V441 HydrophobicContact CB-CB 4.43Å; F283-V441 HydrophobicContact CB-CG1 4.38Å; A286-V441 HydrophobicContact CB-CG2 4.2Å; H420-V441 PolarHBondContact ND1-O 3.15Å; L439-V441 VanDerWaalsContact C-N 3.3Å; L439-V441 PolarHBondContact O-N 3.23Å
442	D	97.4	Very high	93.9	Very high	123 Å²	123	74.4 Å²	74.4	66%	0.658	40%	0.402	S	S	*	.			trans	-62	151.6	-179.2	-65.9	-30.5	0	0	0	112.3	R279 H420	R279-D442 WeakPolarHBondContact CD-O 3.41Å; R279-D442 PolarHBondContact NE-O 3.14Å; H420-D442 PolarHBondContact CE1-O 3.41Å; H420-D442 PolarHBondContact ND1-O 3.27Å
443	A	98	Very high	92.2	Very high	35 Å²	35	80.1 Å²	80.1	29%	0.289	43%	0.426	S	S	.	.			trans	-148.5	157.8	172.9	0	0	0	0	0	110.7	E261 L419	E261-A443 WeakPolarHBondContact OE1-CA 3.37Å; L419-A443 HydrophobicContact CB-CB 3.47Å; L419-A443 VanDerWaalsContact CB-CB 3.47Å; L419-A443 HydrophobicContact CD1-CB 3.97Å; L419-A443 HydrophobicContact CG-CB 4.36Å
444	V	97.9	Very high	90	Very high	44 Å²	44	80.5 Å²	80.5	27%	0.267	44%	0.435	S	S	.	.			trans	-65.5	150	166.7	-62.5	0	0	0	0	111.3	E261 N265 L266 L419 T446	E261-V444 PolarHBondContact OE1-N 3.48Å; N265-V444 HydrophobicContact CB-CG2 3.78Å; L266-V444 HydrophobicContact CD2-CG1 3.94Å; L419-V444 HydrophobicContact CD1-CG2 4.25Å; V444-T446 HydrophobicContact CG2-CG2 4.15Å
445	D	97.8	Very high	87.6	Confident	110 Å²	110	85 Å²	85	59%	0.588	45%	0.45	S	S	*	.			trans	-82.2	128.1	168.7	-167.9	7	0	0	0	110.2	H447	D445-H447 WeakPolarHBondContact OD1-CB 3.38Å; D445-H447 PolarHBondContact OD1-N 3.24Å
446	T	96.9	Very high	85.1	Confident	29 Å²	29	85 Å²	85	18%	0.178	46%	0.459	C	S	.	.			trans	-111.7	6.2	176	63.6	0	0	0	0	112	R258 N265 Q394 L419 V444	R258-T446 PolarHBondContact NH1-OG1 3.48Å; R258-T446 PolarHBondContact NH2-OG1 3.37Å; N265-T446 HydrophobicContact CB-CG2 4.23Å; Q394-T446 PolarHBondContact NE2-O 3.19Å; Q394-T446 VanDerWaalsContact NE2-O 3.12Å; Q394-T446 PolarHBondContact OE1-O 2.67Å; Q394-T446 PolarHBondContact OE1-OG1 2.7Å; L419-T446 HydrophobicContact CD1-CG2 4.27Å; V444-T446 HydrophobicContact CG2-CG2 4.15Å
447	H	97	Very high	82.6	Confident	26 Å²	26	91.5 Å²	91.5	12%	0.12	48%	0.479	C	S	.	.			trans	-76.5	130.7	175.6	-165.1	81.7	0	0	0	110.1	R398 Y414 R416 D445 D449	R398-H447 PolarHBondContact NH2-CE1 3.07Å; R398-H447 PolarHBondContact NH2-ND1 3.32Å; R398-H447 VanDerWaalsContact NH2-ND1 3.12Å; Y414-H447 PolarHBondContact O-CE1 3.38Å; Y414-H447 VanDerWaalsContact O-CE1 3.29Å; R416-H447 VanDerWaalsContact CG-CE1 3.43Å; R416-H447 WeakPolarHBondContact CG-CE1 3.37Å; D445-H447 WeakPolarHBondContact OD1-CB 3.38Å; D445-H447 PolarHBondContact OD1-N 3.24Å; H447-D449 IonicContact CD2-OD1 3.69Å; H447-D449 PolarHBondContact CD2-OD1 3.09Å; H447-D449 IonicContact NE2-OD1 3.55Å; H447-D449 PolarHBondContact NE2-OD1 3.49Å
448	R	94.4	Very high	79.8	Confident	68 Å²	68	94.6 Å²	94.6	26%	0.257	50%	0.504	S	S	.	.			trans	-118.1	113.9	167.5	-175.8	172.7	174.6	-85.5	9.6	107.5	F350 D354	F350-R448 VanDerWaalsContact CZ-NH2 3.26Å; D354-R448 VanDerWaalsContact CG-NH1 3.32Å; D354-R448 IonicContact OD1-CZ 3.92Å; D354-R448 IonicContact OD1-NH1 2.81Å; D354-R448 PolarHBondContact OD1-NH1 2.88Å; D354-R448 IonicContact OD1-NH2 3.74Å; D354-R448 IonicContact OD2-CZ 3.72Å; D354-R448 IonicContact OD2-NH1 3.02Å; D354-R448 PolarHBondContact OD2-NH1 3.43Å; D354-R448 IonicContact OD2-NH2 3.2Å; D354-R448 PolarHBondContact OD2-NH2 3.17Å
449	D	93.1	Very high	77	Confident	91 Å²	91	98.3 Å²	98.3	49%	0.487	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-60	160.3	178.7	-69.2	-51.5	0	0	0	110.7	R416 H447 P451	R416-D449 IonicContact CZ-OD1 3.45Å; R416-D449 IonicContact NE-OD1 3.04Å; R416-D449 IonicContact NH2-OD1 2.78Å; R416-D449 PolarHBondContact NH2-OD1 2.92Å; R416-D449 IonicContact NH2-OD2 3.28Å; R416-D449 PolarHBondContact NH2-OD2 3.19Å; H447-D449 IonicContact CD2-OD1 3.69Å; H447-D449 PolarHBondContact CD2-OD1 3.09Å; H447-D449 IonicContact NE2-OD1 3.55Å; H447-D449 PolarHBondContact NE2-OD1 3.49Å; D449-P451 WeakPolarHBondContact O-CD 3.46Å
450	K	87.5	Confident	74.3	Confident	119 Å²	119	103.4 Å²	103.4	52%	0.517	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-62.9	124.6	171.1	-171.5	169.8	-176.2	174.3	0	108	Y414 T452	Y414-K450 HydrophobicContact CD1-CB 3.77Å; Y414-K450 HydrophobicContact CE1-CB 3.5Å; Y414-K450 HydrophobicContact CE1-CD 4.38Å; Y414-K450 HydrophobicContact CE1-CG 3.83Å; Y414-K450 HydrophobicContact CE2-CD 4.01Å; Y414-K450 HydrophobicContact CE2-CG 4.33Å; Y414-K450 HydrophobicContact CG-CB 4.38Å; K450-T452 PolarHBondContact O-N 3.1Å
451	P	84.4	Confident	71.8	Confident	56 Å²	56	99.2 Å²	99.2	36%	0.364	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-56.5	128.5	177.4	-20.7	29.7	0	0	0	110.1	D354 D449 H453	D354-P451 HydrophobicContact CB-CG 3.95Å; D354-P451 VanDerWaalsContact CG-CG 3.49Å; D354-P451 VanDerWaalsContact OD2-CG 3.25Å; D354-P451 WeakPolarHBondContact OD2-CG 3.4Å; D449-P451 WeakPolarHBondContact O-CD 3.46Å; P451-H453 PolarHBondContact O-N 3.31Å
452	T	73.4	Confident	68.9	Low	122 Å²	122	104 Å²	104	75%	0.748	56%	0.557	S	S	*	*			trans	-95	78.2	179.1	50.3	0	0	0	0	109.9	K450	K450-T452 PolarHBondContact O-N 3.1Å
453	H	55.1	Low	66.2	Low	144 Å²	144	106.1 Å²	106.1	67%	0.667	56%	0.556	S	S	*	*			trans	-149.1	120.9	173.4	-85.7	-62.4	0	0	0	116.6	P451 F455	P451-H453 PolarHBondContact O-N 3.31Å; H453-F455 PolarHBondContact O-N 3.02Å
454	N	48.1	Very low	63.2	Low	147 Å²	147	112.3 Å²	112.3	79%	0.786	58%	0.581	S	S	*	*				39.7	48.9	117.4	-59.6	-12.1	0	0	0	119.5
455	F	47.3	Very low	60.5	Low	154 Å²	154	118.2 Å²	118.2	68%	0.675	60%	0.598	S	S	*	*			trans	-85	131.8	155	-80.3	-84.9	0	0	0	109.6	H453 K457	H453-F455 PolarHBondContact O-N 3.02Å; F455-K457 PolarHBondContact O-N 3.4Å
456	P	44.8	Very low	57.8	Low	102 Å²	102	120.3 Å²	120.3	66%	0.662	60%	0.598	S	S	*	*			trans	-58.7	130.2	166.7	23.7	-29.4	0	0	0	107.9	S458	P456-S458 PolarHBondContact O-N 3.24Å
457	K	45.3	Very low	54.8	Low	224 Å²	224	124.5 Å²	124.5	97%	0.974	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	16.5	-173.7	-67.3	178.4	175.9	177.5	0	115.1	F455	F455-K457 PolarHBondContact O-N 3.4Å
458	S	38	Very low	52.4	Low	96 Å²	96	126.2 Å²	126.2	67%	0.671	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-2.1	-167.8	68.6	0	0	0	0	116.2	P456	P456-S458 PolarHBondContact O-N 3.24Å
459	Q	38	Very low	49.4	Very low	173 Å²	173	132 Å²	132	81%	0.808	66%	0.662	S	S	*	*			trans	-117.8	108.2	174.4	-66.9	-172.5	8.2	0	0	110.4
460	T	36.3	Very low	46.3	Very low	132 Å²	132	132.9 Å²	132.9	81%	0.81	67%	0.67	S	S	*	*			trans	-60.4	123.7	162.2	21.4	0	0	0	0	107.2	V462	T460-V462 PolarHBondContact O-N 3.41Å
461	P	39.3	Very low	43.7	Very low	64 Å²	64	132.9 Å²	132.9	42%	0.416	68%	0.682	S	S	.	*			trans	-61.1	128.5	-178.5	21.6	-29.8	0	0	0	109.1	R463	P461-R463 PolarHBondContact O-N 2.87Å
462	V	36.4	Very low	41	Very low	125 Å²	125	137.5 Å²	137.5	76%	0.758	70%	0.703	S	S	*	*			trans	-64.2	100	174.6	-179.4	0	0	0	0	107.2	T460 M464	T460-V462 PolarHBondContact O-N 3.41Å; V462-M464 VanDerWaalsContact C-N 3.32Å; V462-M464 HydrophobicContact CG1-CG 3.97Å; V462-M464 PolarHBondContact O-N 3.07Å
463	R	41.6	Very low	38.8	Very low	167 Å²	167	136.8 Å²	136.8	63%	0.63	70%	0.703	S	S	*	*			trans	-69.3	85.7	178.1	-71.7	-177.5	173.5	174.1	-3.4	109.8	P461	P461-R463 PolarHBondContact O-N 2.87Å
464	M	35.2	Very low	37.9	Very low	166 Å²	166	134.6 Å²	134.6	82%	0.818	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-84.5	117.7	172.6	-75.6	-158.5	156.5	0	0	110.9	V462 R466	V462-M464 VanDerWaalsContact C-N 3.32Å; V462-M464 HydrophobicContact CG1-CG 3.97Å; V462-M464 PolarHBondContact O-N 3.07Å; M464-R466 PolarHBondContact O-N 3.18Å
465	R	39.7	Very low	36.9	Very low	167 Å²	167	132.8 Å²	132.8	63%	0.63	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-70.1	118	164.1	-177.7	-171.6	-175.9	-142.5	4.9	108.4	N467 S468	R465-N467 PolarHBondContact NH1-OD1 2.84Å; R465-S468 PolarHBondContact NH2-OG 3.24Å
466	R	41.3	Very low	36.1	Very low	154 Å²	154	133 Å²	133	58%	0.581	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-85.1	116.3	152	-73.4	-176.2	-179.8	158.2	-0	106.9	E349 M464 S468	E349-R466 IonicContact OE1-CZ 3.8Å; E349-R466 VanDerWaalsContact OE1-CZ 3.25Å; E349-R466 IonicContact OE1-NH1 3.89Å; E349-R466 PolarHBondContact OE1-NH1 2.94Å; E349-R466 IonicContact OE1-NH2 3.21Å; E349-R466 PolarHBondContact OE1-NH2 3.04Å; E349-R466 IonicContact OE2-NH1 3.46Å; E349-R466 PolarHBondContact OE2-NH1 3.22Å; M464-R466 PolarHBondContact O-N 3.18Å; R466-S468 PolarHBondContact O-N 3.2Å
467	N	35.5	Very low	35.4	Very low	117 Å²	117	133.9 Å²	133.9	63%	0.626	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-49.4	130.2	-166.3	-73.9	-30.9	0	0	0	113	R465	R465-N467 PolarHBondContact NH1-OD1 2.84Å
468	S	45	Very low	34.8	Very low	62 Å²	62	130.8 Å²	130.8	43%	0.434	71%	0.708	S	S	.	*	S	Bend	trans	-67.7	140.7	154.9	44	0	0	0	0	109.3	R465 R466	R465-S468 PolarHBondContact NH2-OG 3.24Å; R466-S468 PolarHBondContact O-N 3.2Å
469	F	32.7	Very low	34.3	Very low	191 Å²	191	137.3 Å²	137.3	84%	0.838	72%	0.717	S	S	*	*			trans	75.6	95	173.1	-102.8	-99.9	0	0	0	117.5
470	T	28.2	Very low	34	Very low	108 Å²	108	139.8 Å²	139.8	66%	0.663	72%	0.72	S	S	*	*			trans	-157.3	111.5	139.6	-11.2	0	0	0	0	108.4	L472	T470-L472 HydrophobicContact CG2-CG 4.27Å; T470-L472 PolarHBondContact O-N 3.4Å
471	P	32.2	Very low	33.6	Very low	119 Å²	119	139 Å²	139	77%	0.773	72%	0.716	S	S	*	*			trans	-77.5	85.3	165.8	31.3	-26.9	0	0	0	106.6	S473	P471-S473 PolarHBondContact O-N 3.38Å; P471-S473 VanDerWaalsContact O-N 3.15Å
472	L	27.3	Very low	33.3	Very low	153 Å²	153	145.9 Å²	145.9	80%	0.801	73%	0.734	S	S	*	*			trans	-77.4	100.9	167.6	-74.5	172.1	0	0	0	107.7	T470 S474	T470-L472 HydrophobicContact CG2-CG 4.27Å; T470-L472 PolarHBondContact O-N 3.4Å; L472-S474 PolarHBondContact O-N 3.23Å; L472-S474 VanDerWaalsContact O-N 3.11Å
473	S	27.1	Very low	33	Very low	107 Å²	107	147.3 Å²	147.3	75%	0.748	74%	0.738	S	S	*	*			trans	-60.2	107.6	163.8	51.4	0	0	0	0	110.3	P471	P471-S473 PolarHBondContact O-N 3.38Å; P471-S473 VanDerWaalsContact O-N 3.15Å
474	S	35.8	Very low	32.7	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	74%	0.743	S	S	*	*			trans	65.4	143	141.6	69.4	0	0	0	0	122.2	L472	L472-S474 PolarHBondContact O-N 3.23Å; L472-S474 VanDerWaalsContact O-N 3.11Å
475	S	27	Very low	32.5	Very low	109 Å²	109	145.8 Å²	145.8	76%	0.762	74%	0.741	S	S	*	*	S	Bend		-147.6	0.4	127.1	62.7	0	0	0	0	116.4
476	N	31.4	Very low	32.1	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	75%	0.754	S	S	*	*			trans	-128.1	84.6	177	-81.5	-31	0	0	0	112.4
477	T	30.3	Very low	32.1	Very low	122 Å²	122	141.1 Å²	141.1	75%	0.748	76%	0.763	S	S	*	*			trans	-96.1	93	164.3	22	0	0	0	0	109.4	R479	T477-R479 VanDerWaalsContact C-N 3.35Å; T477-R479 PolarHBondContact O-N 2.9Å; T477-R479 VanDerWaalsContact O-N 3.08Å
478	I	31.9	Very low	32	Very low	159 Å²	159	140.9 Å²	140.9	82%	0.815	77%	0.771	S	S	*	*			trans	-67.7	103.5	153.1	-62.7	175	0	0	0	105.4	R480	I478-R480 PolarHBondContact O-N 3.47Å
479	R	28.4	Very low	31.4	Very low	232 Å²	232	149.5 Å²	149.5	88%	0.875	79%	0.793	S	S	*	*			trans	-60.5	102.7	177	-72.9	-177.1	176.7	-170.1	0.1	109.2	T477	T477-R479 VanDerWaalsContact C-N 3.35Å; T477-R479 PolarHBondContact O-N 2.9Å; T477-R479 VanDerWaalsContact O-N 3.08Å
480	R	31.9	Very low	31.4	Very low	226 Å²	226	146.2 Å²	146.2	85%	0.853	79%	0.791	S	S	*	*			trans	-75.3	129.9	159.7	-70.3	-175.2	179.7	-177.5	0.5	108.1	I478 R482	I478-R480 PolarHBondContact O-N 3.47Å; R480-R482 PolarHBondContact O-N 2.68Å
481	P	28.1	Very low	31.7	Very low	114 Å²	114	149.4 Å²	149.4	74%	0.74	80%	0.804	S	S	*	*			trans	-65.6	131.3	179	24.5	-30.5	0	0	0	110.5	N483	P481-N483 PolarHBondContact O-N 2.85Å
482	R	32.5	Very low	31.8	Very low	209 Å²	209	153.3 Å²	153.3	79%	0.789	81%	0.808	S	S	*	*			trans	-73.7	114.4	169.4	-83.6	178.6	172.8	162.8	-3	108.3	R480 Y484	R480-R482 PolarHBondContact O-N 2.68Å; R482-Y484 HydrophobicContact CB-CE2 4.43Å; R482-Y484 PolarHBondContact O-N 3.31Å
483	N	30.6	Very low	32	Very low	156 Å²	156	152.1 Å²	152.1	83%	0.834	81%	0.81	S	S	*	*			trans	-76	115.1	165.1	-70	-15.6	0	0	0	108.1	P481	P481-N483 PolarHBondContact O-N 2.85Å
484	Y	34.4	Very low	32.4	Very low	189 Å²	189	155.4 Å²	155.4	74%	0.741	82%	0.818	S	S	*	*			trans	-76.7	132.6	172.8	-70.7	-88.5	0	0	0	109.4	R482	R482-Y484 HydrophobicContact CB-CE2 4.43Å; R482-Y484 PolarHBondContact O-N 3.31Å
485	S	30.7	Very low	32.1	Very low	111 Å²	111	155.8 Å²	155.8	78%	0.776	82%	0.821	S	S	*	*			trans	-63.5	137	166.6	-171	0	0	0	0	109.5	G487	S485-G487 PolarHBondContact O-N 3.03Å
486	V	32.8	Very low	32.4	Very low	149 Å²	149	156.7 Å²	156.7	90%	0.903	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	113.3	-179.9	-177.1	0	0	0	0	108.6
487	G	40.1	Very low	32.3	Very low	75 Å²	75	157.7 Å²	157.7	77%	0.773	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	149.3	-15.2	169.8	0	0	0	0	0	118.1	S485	S485-G487 PolarHBondContact O-N 3.03Å
488	S	32.8	Very low	32.2	Very low	112 Å²	112	163.2 Å²	163.2	78%	0.783	84%	0.835	S	S	*	*			trans	-113.2	104	-173.1	-50.4	0	0	0	0	112.2
489	R	32.5	Very low	32.1	Very low	242 Å²	242	160.3 Å²	160.3	91%	0.913	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-74.8	130.6	168.3	-76.7	-176.1	177.6	-177.7	0.2	109.9
490	P	33.2	Very low	32.1	Very low	122 Å²	122	157.4 Å²	157.4	79%	0.792	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-75.2	133.7	175.4	-8	23.1	0	0	0	111.7
491	L	35.4	Very low	31.9	Very low	176 Å²	176	154.4 Å²	154.4	92%	0.921	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.2	138.7	167.4	-74.9	160.3	0	0	0	110.1
492	K	33.2	Very low	31.9	Very low	200 Å²	200	157.7 Å²	157.7	87%	0.87	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-71.2	143.1	-179.6	-74.9	-178.1	177.4	179.3	0	111.3
493	P	33	Very low	31.7	Very low	128 Å²	128	155.9 Å²	155.9	83%	0.831	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-73.7	137.5	179.4	-8.7	24.9	0	0	0	112.1
494	L	33.6	Very low	31.5	Very low	176 Å²	176	157 Å²	157	92%	0.921	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-72.3	140.3	168.3	-78.9	153.8	0	0	0	110.6
495	S	30.1	Very low	31.1	Very low	107 Å²	107	151.7 Å²	151.7	75%	0.748	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-70.4	154	-179.2	41.1	0	0	0	0	113.6
496	P	34	Very low	30.9	Very low	128 Å²	128	150.9 Å²	150.9	83%	0.831	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.6	137.6	-173.2	5.2	10.8	0	0	0	113.1
497	L	28.6	Very low	30.7	Very low	178 Å²	178	151.6 Å²	151.6	93%	0.932	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-66.9	131.5	170.5	-78.6	151.1	0	0	0	110.9
498	R	28.6	Very low	29.9	Very low	238 Å²	238	156.6 Å²	156.6	90%	0.898	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-74	136	172.6	-84.3	-179.4	171.7	177.7	-3.4	110.6
499	A	29.7	Very low	30.6	Very low	99 Å²	99	155.7 Å²	155.7	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-64.3	140.7	163.8	0	0	0	0	0	110.2
500	L	28.6	Very low	30.3	Very low	170 Å²	170	153.2 Å²	153.2	89%	0.89	84%	0.838	S	S	*	*			trans	-120.3	128.6	170	-90	162.6	0	0	0	109.1
501	D	28.5	Very low	30	Very low	163 Å²	163	153.4 Å²	153.4	87%	0.872	84%	0.837	S	S	*	*			trans	-65.1	152.2	179.4	-72	-50.7	0	0	0	113.3
502	M	27.7	Very low	29.7	Very low	183 Å²	183	153.7 Å²	153.7	90%	0.901	83%	0.834	S	S	*	*			trans	-84.5	131.2	165.7	-72.6	-170.4	65.4	0	0	110.8
503	Q	27.8	Very low	29.5	Very low	171 Å²	171	153 Å²	153	80%	0.799	83%	0.833	S	S	*	*			trans	-174.4	114.5	144.2	-107.1	174.6	-24.5	0	0	108.5
504	E	26.8	Very low	29.5	Very low	180 Å²	180	152.5 Å²	152.5	84%	0.841	83%	0.828	S	S	*	*				78.5	124.8	101.8	-81.5	-172.8	160.6	0	0	115.2
505	G	25.1	Very low	29.4	Very low	78 Å²	78	151.8 Å²	151.8	80%	0.804	82%	0.82	S	S	*	*			trans	120.8	96.2	146	0	0	0	0	0	119
506	A	26.7	Very low	29.5	Very low	93 Å²	93	152.7 Å²	152.7	77%	0.769	82%	0.816	S	S	*	*			trans	65.5	133.4	131.5	0	0	0	0	0	123.7
507	D	28.2	Very low	29.2	Very low	164 Å²	164	155 Å²	155	88%	0.877	82%	0.82	S	S	*	*			trans	86.3	127.2	144.3	-67.8	-19.4	0	0	0	123.8
508	Q	24.5	Very low	29.3	Very low	180 Å²	180	154.3 Å²	154.3	84%	0.841	82%	0.817	S	S	*	*			trans	-70.4	-168.1	178.9	-70.8	-176.3	-4.6	0	0	114.4
509	P	46.1	Very low	29.5	Very low	94 Å²	94	146.8 Å²	146.8	61%	0.61	81%	0.805	S	S	*	*			cis	-136.1	-173.7	-44.6	31.5	-11.1	0	0	0	114.7
510	K	27.7	Very low	29.5	Very low	190 Å²	190	149.4 Å²	149.4	83%	0.826	80%	0.801	S	S	*	*			trans	88.7	142.5	159.5	-57	176.9	179.5	-179.2	0	115.9
511	T	27.2	Very low	29.6	Very low	126 Å²	126	148.5 Å²	148.5	77%	0.773	79%	0.792	S	S	*	*			cis	-163.3	133.2	31.3	12.1	0	0	0	0	106.5
512	Q	28.7	Very low	29.6	Very low	182 Å²	182	151 Å²	151	85%	0.85	79%	0.789	S	S	*	*				59.6	110.5	78.6	-143.2	166.3	10.1	0	0	117
513	E	28.8	Very low	29.9	Very low	185 Å²	185	151 Å²	151	86%	0.864	79%	0.787	S	S	*	*			trans	174.4	116.5	141.6	-96.1	175.4	-176	0	0	108.6
514	V	33.3	Very low	31	Very low	118 Å²	118	148.2 Å²	148.2	72%	0.715	78%	0.783	S	S	*	*				73	127.6	75.5	173.4	0	0	0	0	110.4
515	E	32.1	Very low	31.2	Very low	161 Å²	161	144.5 Å²	144.5	75%	0.752	78%	0.777	S	S	*	*			cis	-168.7	154.6	15.3	-127	171.4	177.4	0	0	111.6
516	N	30.2	Very low	31.6	Very low	125 Å²	125	149.4 Å²	149.4	67%	0.668	78%	0.781	S	S	*	*			trans	26.1	134.8	142	-65.1	-24	0	0	0	123.6
517	L	28.9	Very low	31.8	Very low	177 Å²	177	149 Å²	149	93%	0.927	78%	0.778	S	S	*	*				-166.2	123.8	112	-100.4	157.3	0	0	0	112.8
518	L	30.5	Very low	32.1	Very low	163 Å²	163	146.7 Å²	146.7	85%	0.853	77%	0.774	S	S	*	*			trans	-67.5	171.3	160.9	-63.8	142.8	0	0	0	109.2
519	A	31.9	Very low	32.5	Very low	80 Å²	80	146.1 Å²	146.1	66%	0.661	78%	0.776	S	S	*	*			cis	-167.2	156	20.6	0	0	0	0	0	110.9
520	E	31	Very low	32.2	Very low	155 Å²	155	147.2 Å²	147.2	72%	0.724	78%	0.781	S	S	*	*			trans	34.2	134.5	135.6	-56.5	-175.9	171.3	0	0	124.1
521	H	30	Very low	32.7	Very low	150 Å²	150	144.6 Å²	144.6	69%	0.694	78%	0.776	S	S	*	*				-179.4	116.1	106.1	-93.2	-5.8	0	0	0	111.4
522	R	29.7	Very low	33.5	Very low	217 Å²	217	146.2 Å²	146.2	82%	0.819	78%	0.779	S	S	*	*				78	114.8	100.1	-73.1	-173.3	-174	-163.2	4.2	116.6
523	H	33	Very low	34.3	Very low	183 Å²	183	146.4 Å²	146.4	85%	0.847	80%	0.8	S	S	*	*			trans	-53.1	-177.9	153.5	-79.8	-66	0	0	0	113.3
524	P	51.1	Low	34.6	Very low	112 Å²	112	144.5 Å²	144.5	73%	0.727	80%	0.797	S	S	*	*			cis	-143.7	-179.4	7.5	26.8	-0.3	0	0	0	117.4
525	S	31.3	Very low	34.7	Very low	102 Å²	102	145.8 Å²	145.8	71%	0.713	80%	0.801	S	S	*	*				122.5	130.1	126.4	98.3	0	0	0	0	120.4
526	M	32	Very low	34.8	Very low	181 Å²	181	145 Å²	145	89%	0.892	80%	0.804	S	S	*	*			trans	82.1	123.4	133.5	-73.7	-116	-117.4	0	0	123.8
527	A	32.2	Very low	35.1	Very low	85 Å²	85	146.2 Å²	146.2	70%	0.702	81%	0.812	S	S	*	*				99.3	113.3	126.5	0	0	0	0	0	120.9
528	S	33.5	Very low	35.4	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	81%	0.805	S	S	*	*			trans	33.3	128.3	133.1	-62.3	0	0	0	0	121.3
529	L	34	Very low	35.8	Very low	169 Å²	169	143 Å²	143	89%	0.885	80%	0.801	S	S	*	*				-164.9	127.4	120	-107.6	145	0	0	0	112.9
530	T	39.1	Very low	36.1	Very low	116 Å²	116	147.5 Å²	147.5	71%	0.712	81%	0.811	S	S	*	*			trans	-66.7	148.3	165.5	-28.6	0	0	0	0	111.1
531	L	39.3	Very low	36.5	Very low	136 Å²	136	146.9 Å²	146.9	71%	0.712	82%	0.818	S	S	*	*				161.2	129.3	123.1	-86	160.5	0	0	0	113.5
532	L	42.3	Very low	37	Very low	159 Å²	159	146.7 Å²	146.7	83%	0.832	83%	0.828	S	S	*	*			trans	62.8	131.9	143.3	-57.8	163.5	0	0	0	117.4
533	S	46.4	Very low	37.7	Very low	186 Å²	186	140.3 Å²	140.3	100%	1.301	83%	0.829	S	S	*	*			cis	-153.5	0	27.7	54.3	0	0	0	0	111.1

Retrieved 533 of 533 residues in 934.3 ms (Link to these results)

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